USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 684 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 NoAdj-H: A 64 HIS HD1 : A 64 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 44 CYS SG : rot 125:sc= -5.07! USER MOD Set 1.2: A 67 CYS SG : rot -151:sc= -8.96! USER MOD Set 2.1: A 42 HIS : no HD1:sc= 0.695 K(o=1.5,f=-0.14) USER MOD Set 2.2: A 63 TYR OH : rot 51:sc= 0.812 USER MOD Set 3.1: A 37 MET CE :methyl 160:sc= -0.163 (180deg=-0.716) USER MOD Set 3.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 1 SER N :NH3+ -127:sc= 0.825 (180deg=0) USER MOD Set 4.2: A 2 HIS : no HD1:sc= 0.702 K(o=1.5,f=-3.1!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= -0.0121 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 45:sc= 0.299 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 53:sc= 0.111 USER MOD Single : A 16 ASN : amide:sc= -1.09 X(o=-1.1,f=-1.1) USER MOD Single : A 17 THR OG1 : rot 43:sc= 0.322 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -1.16 K(o=-1.2,f=-3.7!) USER MOD Single : A 23 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0722) USER MOD Single : A 24 LYS NZ :NH3+ 144:sc= 0.154 (180deg=-0.2) USER MOD Single : A 38 LYS NZ :NH3+ 174:sc= -0.0467 (180deg=-0.0822) USER MOD Single : A 45 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -138:sc= -0.579 (180deg=-2.02) USER MOD Single : A 62 SER OG : rot 120:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc=-0.00014 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 168:sc= -0.0236 (180deg=-0.231) USER MOD Single : A 85 CYS SG : rot -164:sc= -10.7! USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -3.384 1.333 20.326 1.00 62.11 N ATOM 2 CA SER A 1 -2.440 2.271 19.696 1.00 22.31 C ATOM 3 C SER A 1 -1.002 1.845 20.034 1.00 23.34 C ATOM 4 O SER A 1 -0.182 1.636 19.131 1.00 65.14 O ATOM 5 CB SER A 1 -2.744 3.704 20.167 1.00 33.04 C ATOM 6 OG SER A 1 -4.111 4.027 19.943 1.00 75.40 O ATOM 0 H1 SER A 1 -4.041 0.967 19.608 1.00 62.11 H new ATOM 0 H2 SER A 1 -2.857 0.542 20.748 1.00 62.11 H new ATOM 0 H3 SER A 1 -3.921 1.826 21.067 1.00 62.11 H new ATOM 0 HA SER A 1 -2.550 2.252 18.612 1.00 22.31 H new ATOM 0 HB2 SER A 1 -2.511 3.801 21.227 1.00 33.04 H new ATOM 0 HB3 SER A 1 -2.106 4.410 19.635 1.00 33.04 H new ATOM 0 HG SER A 1 -4.286 4.941 20.250 1.00 75.40 H new ATOM 14 N HIS A 2 -0.719 1.728 21.357 1.00 34.51 N ATOM 15 CA HIS A 2 0.503 1.081 21.897 1.00 45.12 C ATOM 16 C HIS A 2 1.805 1.718 21.353 1.00 54.13 C ATOM 17 O HIS A 2 2.823 1.038 21.178 1.00 42.42 O ATOM 18 CB HIS A 2 0.457 -0.449 21.624 1.00 3.13 C ATOM 19 CG HIS A 2 -0.734 -1.135 22.235 1.00 13.23 C ATOM 20 ND1 HIS A 2 -1.967 -1.097 21.631 1.00 3.23 N ATOM 21 CD2 HIS A 2 -0.833 -1.838 23.393 1.00 31.31 C ATOM 22 CE1 HIS A 2 -2.779 -1.772 22.422 1.00 11.00 C ATOM 23 NE2 HIS A 2 -2.138 -2.239 23.500 1.00 13.20 N ATOM 0 H HIS A 2 -1.339 2.084 22.085 1.00 34.51 H new ATOM 0 HA HIS A 2 0.517 1.246 22.974 1.00 45.12 H new ATOM 0 HB2 HIS A 2 0.450 -0.617 20.547 1.00 3.13 H new ATOM 0 HB3 HIS A 2 1.367 -0.906 22.012 1.00 3.13 H new ATOM 0 HD2 HIS A 2 -0.037 -2.041 24.094 1.00 31.31 H new ATOM 0 HE1 HIS A 2 -3.829 -1.928 22.224 1.00 11.00 H new ATOM 0 HE2 HIS A 2 -2.544 -2.789 24.257 1.00 13.20 H new ATOM 31 N MET A 3 1.756 3.035 21.105 1.00 1.12 N ATOM 32 CA MET A 3 2.921 3.825 20.664 1.00 11.21 C ATOM 33 C MET A 3 3.451 4.651 21.866 1.00 71.34 C ATOM 34 O MET A 3 3.923 5.786 21.719 1.00 64.31 O ATOM 35 CB MET A 3 2.527 4.734 19.456 1.00 44.12 C ATOM 36 CG MET A 3 3.726 5.389 18.738 1.00 61.11 C ATOM 37 SD MET A 3 3.239 6.606 17.498 1.00 61.45 S ATOM 38 CE MET A 3 4.832 7.318 17.071 1.00 54.44 C ATOM 0 H MET A 3 0.904 3.587 21.204 1.00 1.12 H new ATOM 0 HA MET A 3 3.719 3.166 20.322 1.00 11.21 H new ATOM 0 HB2 MET A 3 1.968 4.138 18.735 1.00 44.12 H new ATOM 0 HB3 MET A 3 1.857 5.518 19.809 1.00 44.12 H new ATOM 0 HG2 MET A 3 4.365 5.871 19.478 1.00 61.11 H new ATOM 0 HG3 MET A 3 4.322 4.612 18.260 1.00 61.11 H new ATOM 0 HE1 MET A 3 4.694 8.089 16.313 1.00 54.44 H new ATOM 0 HE2 MET A 3 5.283 7.759 17.960 1.00 54.44 H new ATOM 0 HE3 MET A 3 5.486 6.538 16.681 1.00 54.44 H new ATOM 48 N SER A 4 3.354 4.063 23.073 1.00 3.10 N ATOM 49 CA SER A 4 3.978 4.626 24.278 1.00 4.33 C ATOM 50 C SER A 4 5.507 4.518 24.132 1.00 35.11 C ATOM 51 O SER A 4 6.225 5.522 24.228 1.00 13.31 O ATOM 52 CB SER A 4 3.473 3.881 25.535 1.00 63.04 C ATOM 53 OG SER A 4 3.671 2.481 25.431 1.00 52.22 O ATOM 0 H SER A 4 2.846 3.194 23.237 1.00 3.10 H new ATOM 0 HA SER A 4 3.707 5.676 24.392 1.00 4.33 H new ATOM 0 HB2 SER A 4 3.994 4.258 26.415 1.00 63.04 H new ATOM 0 HB3 SER A 4 2.413 4.089 25.679 1.00 63.04 H new ATOM 0 HG SER A 4 3.342 2.043 26.243 1.00 52.22 H new ATOM 59 N GLY A 5 5.976 3.283 23.863 1.00 51.34 N ATOM 60 CA GLY A 5 7.375 3.004 23.563 1.00 60.05 C ATOM 61 C GLY A 5 8.224 2.844 24.815 1.00 41.21 C ATOM 62 O GLY A 5 8.834 1.791 25.029 1.00 23.54 O ATOM 0 H GLY A 5 5.383 2.453 23.850 1.00 51.34 H new ATOM 0 HA2 GLY A 5 7.440 2.094 22.966 1.00 60.05 H new ATOM 0 HA3 GLY A 5 7.780 3.813 22.955 1.00 60.05 H new ATOM 66 N GLY A 6 8.240 3.891 25.658 1.00 24.24 N ATOM 67 CA GLY A 6 9.162 3.976 26.787 1.00 74.34 C ATOM 68 C GLY A 6 10.537 4.403 26.302 1.00 73.41 C ATOM 69 O GLY A 6 10.983 5.533 26.546 1.00 74.41 O ATOM 0 H GLY A 6 7.616 4.693 25.571 1.00 24.24 H new ATOM 0 HA2 GLY A 6 8.788 4.690 27.520 1.00 74.34 H new ATOM 0 HA3 GLY A 6 9.227 3.010 27.288 1.00 74.34 H new ATOM 73 N SER A 7 11.191 3.473 25.596 1.00 30.34 N ATOM 74 CA SER A 7 12.411 3.723 24.833 1.00 60.24 C ATOM 75 C SER A 7 12.013 4.206 23.419 1.00 41.43 C ATOM 76 O SER A 7 11.046 3.676 22.862 1.00 53.13 O ATOM 77 CB SER A 7 13.223 2.409 24.747 1.00 34.54 C ATOM 78 OG SER A 7 14.418 2.573 24.007 1.00 32.44 O ATOM 0 H SER A 7 10.876 2.504 25.541 1.00 30.34 H new ATOM 0 HA SER A 7 13.023 4.486 25.315 1.00 60.24 H new ATOM 0 HB2 SER A 7 13.464 2.065 25.753 1.00 34.54 H new ATOM 0 HB3 SER A 7 12.612 1.635 24.283 1.00 34.54 H new ATOM 0 HG SER A 7 14.903 1.722 23.977 1.00 32.44 H new ATOM 84 N PRO A 8 12.702 5.243 22.833 1.00 23.14 N ATOM 85 CA PRO A 8 12.481 5.634 21.416 1.00 21.21 C ATOM 86 C PRO A 8 12.925 4.507 20.445 1.00 13.24 C ATOM 87 O PRO A 8 14.069 4.476 19.970 1.00 21.04 O ATOM 88 CB PRO A 8 13.306 6.946 21.257 1.00 35.23 C ATOM 89 CG PRO A 8 14.328 6.902 22.367 1.00 21.00 C ATOM 90 CD PRO A 8 13.680 6.134 23.508 1.00 25.51 C ATOM 0 HA PRO A 8 11.431 5.794 21.170 1.00 21.21 H new ATOM 0 HB2 PRO A 8 13.787 6.994 20.280 1.00 35.23 H new ATOM 0 HB3 PRO A 8 12.668 7.826 21.342 1.00 35.23 H new ATOM 0 HG2 PRO A 8 15.242 6.409 22.036 1.00 21.00 H new ATOM 0 HG3 PRO A 8 14.604 7.908 22.682 1.00 21.00 H new ATOM 0 HD2 PRO A 8 14.416 5.563 24.073 1.00 25.51 H new ATOM 0 HD3 PRO A 8 13.188 6.805 24.212 1.00 25.51 H new ATOM 98 N LEU A 9 12.005 3.545 20.214 1.00 53.21 N ATOM 99 CA LEU A 9 12.269 2.355 19.390 1.00 61.31 C ATOM 100 C LEU A 9 12.097 2.690 17.900 1.00 61.40 C ATOM 101 O LEU A 9 11.004 2.555 17.338 1.00 64.14 O ATOM 102 CB LEU A 9 11.339 1.173 19.799 1.00 42.33 C ATOM 103 CG LEU A 9 11.429 0.701 21.283 1.00 21.55 C ATOM 104 CD1 LEU A 9 10.440 -0.448 21.560 1.00 24.10 C ATOM 105 CD2 LEU A 9 12.874 0.303 21.660 1.00 2.41 C ATOM 0 H LEU A 9 11.060 3.576 20.596 1.00 53.21 H new ATOM 0 HA LEU A 9 13.300 2.044 19.561 1.00 61.31 H new ATOM 0 HB2 LEU A 9 10.308 1.463 19.595 1.00 42.33 H new ATOM 0 HB3 LEU A 9 11.565 0.322 19.156 1.00 42.33 H new ATOM 0 HG LEU A 9 11.146 1.542 21.916 1.00 21.55 H new ATOM 0 HD11 LEU A 9 10.524 -0.757 22.602 1.00 24.10 H new ATOM 0 HD12 LEU A 9 9.423 -0.108 21.363 1.00 24.10 H new ATOM 0 HD13 LEU A 9 10.672 -1.292 20.911 1.00 24.10 H new ATOM 0 HD21 LEU A 9 12.902 -0.021 22.700 1.00 2.41 H new ATOM 0 HD22 LEU A 9 13.207 -0.512 21.017 1.00 2.41 H new ATOM 0 HD23 LEU A 9 13.534 1.161 21.529 1.00 2.41 H new ATOM 117 N ALA A 10 13.188 3.152 17.280 1.00 50.42 N ATOM 118 CA ALA A 10 13.257 3.433 15.834 1.00 44.45 C ATOM 119 C ALA A 10 13.758 2.188 15.063 1.00 42.55 C ATOM 120 O ALA A 10 14.324 2.310 13.968 1.00 4.15 O ATOM 121 CB ALA A 10 14.176 4.644 15.607 1.00 40.42 C ATOM 0 H ALA A 10 14.061 3.345 17.771 1.00 50.42 H new ATOM 0 HA ALA A 10 12.263 3.668 15.454 1.00 44.45 H new ATOM 0 HB1 ALA A 10 14.235 4.861 14.540 1.00 40.42 H new ATOM 0 HB2 ALA A 10 13.773 5.510 16.132 1.00 40.42 H new ATOM 0 HB3 ALA A 10 15.173 4.421 15.987 1.00 40.42 H new ATOM 127 N THR A 11 13.524 0.993 15.643 1.00 51.53 N ATOM 128 CA THR A 11 13.916 -0.291 15.055 1.00 12.13 C ATOM 129 C THR A 11 13.064 -0.600 13.809 1.00 14.00 C ATOM 130 O THR A 11 11.961 -1.144 13.916 1.00 23.20 O ATOM 131 CB THR A 11 13.788 -1.447 16.115 1.00 13.22 C ATOM 132 OG1 THR A 11 12.472 -1.434 16.708 1.00 4.22 O ATOM 133 CG2 THR A 11 14.848 -1.334 17.219 1.00 3.41 C ATOM 0 H THR A 11 13.052 0.898 16.542 1.00 51.53 H new ATOM 0 HA THR A 11 14.959 -0.223 14.747 1.00 12.13 H new ATOM 0 HB THR A 11 13.949 -2.388 15.589 1.00 13.22 H new ATOM 0 HG1 THR A 11 11.798 -1.315 16.006 1.00 4.22 H new ATOM 0 HG21 THR A 11 14.723 -2.152 17.929 1.00 3.41 H new ATOM 0 HG22 THR A 11 15.842 -1.388 16.776 1.00 3.41 H new ATOM 0 HG23 THR A 11 14.733 -0.382 17.738 1.00 3.41 H new ATOM 141 N GLY A 12 13.561 -0.190 12.635 1.00 21.41 N ATOM 142 CA GLY A 12 12.868 -0.430 11.373 1.00 15.54 C ATOM 143 C GLY A 12 13.424 0.435 10.258 1.00 42.11 C ATOM 144 O GLY A 12 13.205 1.649 10.252 1.00 51.54 O ATOM 0 H GLY A 12 14.444 0.311 12.538 1.00 21.41 H new ATOM 0 HA2 GLY A 12 12.961 -1.481 11.100 1.00 15.54 H new ATOM 0 HA3 GLY A 12 11.804 -0.226 11.497 1.00 15.54 H new ATOM 148 N THR A 13 14.164 -0.188 9.328 1.00 3.11 N ATOM 149 CA THR A 13 14.742 0.493 8.161 1.00 5.43 C ATOM 150 C THR A 13 14.744 -0.468 6.947 1.00 65.04 C ATOM 151 O THR A 13 15.679 -1.257 6.730 1.00 1.02 O ATOM 152 CB THR A 13 16.181 1.074 8.469 1.00 13.43 C ATOM 153 OG1 THR A 13 16.793 1.585 7.268 1.00 24.52 O ATOM 154 CG2 THR A 13 17.112 0.044 9.137 1.00 5.31 C ATOM 0 H THR A 13 14.379 -1.184 9.365 1.00 3.11 H new ATOM 0 HA THR A 13 14.120 1.354 7.915 1.00 5.43 H new ATOM 0 HB THR A 13 16.038 1.888 9.179 1.00 13.43 H new ATOM 0 HG1 THR A 13 17.681 1.941 7.479 1.00 24.52 H new ATOM 0 HG21 THR A 13 18.084 0.500 9.324 1.00 5.31 H new ATOM 0 HG22 THR A 13 16.676 -0.282 10.082 1.00 5.31 H new ATOM 0 HG23 THR A 13 17.235 -0.816 8.479 1.00 5.31 H new ATOM 162 N THR A 14 13.632 -0.443 6.192 1.00 71.40 N ATOM 163 CA THR A 14 13.505 -1.167 4.922 1.00 55.55 C ATOM 164 C THR A 14 14.148 -0.337 3.799 1.00 30.43 C ATOM 165 O THR A 14 13.454 0.328 3.021 1.00 73.00 O ATOM 166 CB THR A 14 12.003 -1.497 4.591 1.00 61.51 C ATOM 167 OG1 THR A 14 11.197 -0.313 4.745 1.00 14.45 O ATOM 168 CG2 THR A 14 11.451 -2.621 5.484 1.00 2.13 C ATOM 0 H THR A 14 12.796 0.082 6.449 1.00 71.40 H new ATOM 0 HA THR A 14 14.026 -2.120 5.009 1.00 55.55 H new ATOM 0 HB THR A 14 11.961 -1.843 3.558 1.00 61.51 H new ATOM 0 HG1 THR A 14 11.589 0.419 4.225 1.00 14.45 H new ATOM 0 HG21 THR A 14 10.411 -2.817 5.222 1.00 2.13 H new ATOM 0 HG22 THR A 14 12.039 -3.526 5.335 1.00 2.13 H new ATOM 0 HG23 THR A 14 11.511 -2.318 6.529 1.00 2.13 H new ATOM 176 N ALA A 15 15.491 -0.334 3.773 1.00 50.13 N ATOM 177 CA ALA A 15 16.272 0.384 2.758 1.00 50.33 C ATOM 178 C ALA A 15 16.068 -0.280 1.385 1.00 11.32 C ATOM 179 O ALA A 15 16.677 -1.317 1.085 1.00 25.54 O ATOM 180 CB ALA A 15 17.763 0.427 3.156 1.00 4.55 C ATOM 0 H ALA A 15 16.064 -0.830 4.456 1.00 50.13 H new ATOM 0 HA ALA A 15 15.924 1.415 2.692 1.00 50.33 H new ATOM 0 HB1 ALA A 15 18.328 0.963 2.393 1.00 4.55 H new ATOM 0 HB2 ALA A 15 17.870 0.939 4.113 1.00 4.55 H new ATOM 0 HB3 ALA A 15 18.146 -0.590 3.244 1.00 4.55 H new ATOM 186 N ASN A 16 15.145 0.293 0.595 1.00 35.25 N ATOM 187 CA ASN A 16 14.811 -0.198 -0.754 1.00 41.43 C ATOM 188 C ASN A 16 15.900 0.200 -1.762 1.00 4.45 C ATOM 189 O ASN A 16 16.879 0.879 -1.406 1.00 5.10 O ATOM 190 CB ASN A 16 13.415 0.338 -1.202 1.00 23.33 C ATOM 191 CG ASN A 16 12.234 -0.158 -0.352 1.00 43.51 C ATOM 192 OD1 ASN A 16 11.230 0.538 -0.207 1.00 45.31 O ATOM 193 ND2 ASN A 16 12.325 -1.361 0.206 1.00 72.12 N ATOM 0 H ASN A 16 14.607 1.113 0.874 1.00 35.25 H new ATOM 0 HA ASN A 16 14.763 -1.286 -0.722 1.00 41.43 H new ATOM 0 HB2 ASN A 16 13.433 1.427 -1.174 1.00 23.33 H new ATOM 0 HB3 ASN A 16 13.245 0.049 -2.239 1.00 23.33 H new ATOM 0 HD21 ASN A 16 11.554 -1.723 0.767 1.00 72.12 H new ATOM 0 HD22 ASN A 16 13.166 -1.922 0.074 1.00 72.12 H new ATOM 200 N THR A 17 15.731 -0.252 -3.014 1.00 54.11 N ATOM 201 CA THR A 17 16.677 0.021 -4.095 1.00 3.01 C ATOM 202 C THR A 17 16.663 1.518 -4.464 1.00 72.42 C ATOM 203 O THR A 17 15.818 1.977 -5.245 1.00 41.31 O ATOM 204 CB THR A 17 16.375 -0.888 -5.334 1.00 4.51 C ATOM 205 OG1 THR A 17 15.009 -0.721 -5.758 1.00 41.13 O ATOM 206 CG2 THR A 17 16.631 -2.376 -5.015 1.00 2.14 C ATOM 0 H THR A 17 14.932 -0.817 -3.301 1.00 54.11 H new ATOM 0 HA THR A 17 17.682 -0.220 -3.750 1.00 3.01 H new ATOM 0 HB THR A 17 17.047 -0.583 -6.136 1.00 4.51 H new ATOM 0 HG1 THR A 17 14.776 0.231 -5.742 1.00 41.13 H new ATOM 0 HG21 THR A 17 16.412 -2.980 -5.896 1.00 2.14 H new ATOM 0 HG22 THR A 17 17.675 -2.513 -4.731 1.00 2.14 H new ATOM 0 HG23 THR A 17 15.988 -2.688 -4.192 1.00 2.14 H new ATOM 214 N ARG A 18 17.581 2.280 -3.830 1.00 30.04 N ATOM 215 CA ARG A 18 17.750 3.723 -4.073 1.00 22.34 C ATOM 216 C ARG A 18 18.221 3.994 -5.515 1.00 50.11 C ATOM 217 O ARG A 18 18.716 3.089 -6.194 1.00 10.22 O ATOM 218 CB ARG A 18 18.694 4.366 -2.998 1.00 25.13 C ATOM 219 CG ARG A 18 20.047 3.644 -2.724 1.00 63.03 C ATOM 220 CD ARG A 18 21.074 3.761 -3.862 1.00 14.55 C ATOM 221 NE ARG A 18 21.389 5.172 -4.176 1.00 12.10 N ATOM 222 CZ ARG A 18 21.866 5.628 -5.341 1.00 74.32 C ATOM 223 NH1 ARG A 18 22.108 4.808 -6.358 1.00 21.03 N ATOM 224 NH2 ARG A 18 22.110 6.919 -5.480 1.00 55.32 N ATOM 0 H ARG A 18 18.226 1.907 -3.134 1.00 30.04 H new ATOM 0 HA ARG A 18 16.778 4.206 -3.968 1.00 22.34 H new ATOM 0 HB2 ARG A 18 18.912 5.389 -3.306 1.00 25.13 H new ATOM 0 HB3 ARG A 18 18.146 4.426 -2.058 1.00 25.13 H new ATOM 0 HG2 ARG A 18 20.485 4.053 -1.813 1.00 63.03 H new ATOM 0 HG3 ARG A 18 19.850 2.588 -2.537 1.00 63.03 H new ATOM 0 HD2 ARG A 18 21.988 3.238 -3.581 1.00 14.55 H new ATOM 0 HD3 ARG A 18 20.686 3.268 -4.754 1.00 14.55 H new ATOM 0 HE ARG A 18 21.228 5.859 -3.439 1.00 12.10 H new ATOM 0 HH11 ARG A 18 21.930 3.808 -6.260 1.00 21.03 H new ATOM 0 HH12 ARG A 18 22.471 5.178 -7.236 1.00 21.03 H new ATOM 0 HH21 ARG A 18 21.935 7.558 -4.704 1.00 55.32 H new ATOM 0 HH22 ARG A 18 22.474 7.277 -6.363 1.00 55.32 H new ATOM 238 N GLY A 19 18.104 5.251 -5.950 1.00 74.24 N ATOM 239 CA GLY A 19 18.306 5.610 -7.352 1.00 70.25 C ATOM 240 C GLY A 19 17.106 5.229 -8.208 1.00 14.51 C ATOM 241 O GLY A 19 17.233 5.035 -9.421 1.00 41.01 O ATOM 0 H GLY A 19 17.869 6.039 -5.347 1.00 74.24 H new ATOM 0 HA2 GLY A 19 18.484 6.682 -7.431 1.00 70.25 H new ATOM 0 HA3 GLY A 19 19.197 5.110 -7.731 1.00 70.25 H new ATOM 245 N ALA A 20 15.935 5.099 -7.548 1.00 44.24 N ATOM 246 CA ALA A 20 14.649 4.865 -8.212 1.00 2.33 C ATOM 247 C ALA A 20 14.172 6.173 -8.861 1.00 15.12 C ATOM 248 O ALA A 20 14.276 7.237 -8.234 1.00 44.52 O ATOM 249 CB ALA A 20 13.617 4.333 -7.197 1.00 25.23 C ATOM 0 H ALA A 20 15.863 5.155 -6.532 1.00 44.24 H new ATOM 0 HA ALA A 20 14.765 4.111 -8.991 1.00 2.33 H new ATOM 0 HB1 ALA A 20 12.666 4.163 -7.701 1.00 25.23 H new ATOM 0 HB2 ALA A 20 13.975 3.396 -6.771 1.00 25.23 H new ATOM 0 HB3 ALA A 20 13.480 5.064 -6.400 1.00 25.23 H new ATOM 255 N SER A 21 13.652 6.073 -10.099 1.00 21.01 N ATOM 256 CA SER A 21 13.341 7.233 -10.955 1.00 53.13 C ATOM 257 C SER A 21 12.421 8.264 -10.260 1.00 34.25 C ATOM 258 O SER A 21 11.261 7.980 -9.955 1.00 74.45 O ATOM 259 CB SER A 21 12.722 6.754 -12.283 1.00 41.51 C ATOM 260 OG SER A 21 13.616 5.895 -12.974 1.00 74.44 O ATOM 0 H SER A 21 13.434 5.178 -10.536 1.00 21.01 H new ATOM 0 HA SER A 21 14.280 7.748 -11.156 1.00 53.13 H new ATOM 0 HB2 SER A 21 11.787 6.230 -12.086 1.00 41.51 H new ATOM 0 HB3 SER A 21 12.480 7.614 -12.908 1.00 41.51 H new ATOM 0 HG SER A 21 13.204 5.601 -13.813 1.00 74.44 H new ATOM 266 N GLN A 22 13.003 9.445 -9.971 1.00 64.31 N ATOM 267 CA GLN A 22 12.298 10.627 -9.442 1.00 4.21 C ATOM 268 C GLN A 22 12.068 11.648 -10.572 1.00 60.24 C ATOM 269 O GLN A 22 11.983 12.861 -10.332 1.00 11.51 O ATOM 270 CB GLN A 22 13.117 11.245 -8.267 1.00 34.23 C ATOM 271 CG GLN A 22 13.220 10.332 -7.028 1.00 31.22 C ATOM 272 CD GLN A 22 11.860 10.028 -6.381 1.00 52.53 C ATOM 273 OE1 GLN A 22 10.947 10.860 -6.379 1.00 62.24 O ATOM 274 NE2 GLN A 22 11.705 8.821 -5.858 1.00 15.02 N ATOM 0 H GLN A 22 14.002 9.606 -10.103 1.00 64.31 H new ATOM 0 HA GLN A 22 11.323 10.333 -9.055 1.00 4.21 H new ATOM 0 HB2 GLN A 22 14.122 11.476 -8.620 1.00 34.23 H new ATOM 0 HB3 GLN A 22 12.657 12.189 -7.973 1.00 34.23 H new ATOM 0 HG2 GLN A 22 13.695 9.394 -7.315 1.00 31.22 H new ATOM 0 HG3 GLN A 22 13.868 10.805 -6.290 1.00 31.22 H new ATOM 0 HE21 GLN A 22 12.477 8.155 -5.874 1.00 15.02 H new ATOM 0 HE22 GLN A 22 10.813 8.557 -5.439 1.00 15.02 H new ATOM 283 N LYS A 23 11.947 11.122 -11.808 1.00 11.53 N ATOM 284 CA LYS A 23 11.666 11.916 -13.012 1.00 1.41 C ATOM 285 C LYS A 23 10.206 12.405 -12.991 1.00 63.20 C ATOM 286 O LYS A 23 9.290 11.722 -13.463 1.00 1.24 O ATOM 287 CB LYS A 23 11.957 11.076 -14.289 1.00 3.33 C ATOM 288 CG LYS A 23 13.446 10.736 -14.518 1.00 64.32 C ATOM 289 CD LYS A 23 14.285 11.994 -14.840 1.00 13.01 C ATOM 290 CE LYS A 23 15.773 11.683 -15.061 1.00 50.54 C ATOM 291 NZ LYS A 23 16.402 11.122 -13.842 1.00 63.54 N ATOM 0 H LYS A 23 12.043 10.124 -11.995 1.00 11.53 H new ATOM 0 HA LYS A 23 12.318 12.789 -13.026 1.00 1.41 H new ATOM 0 HB2 LYS A 23 11.392 10.146 -14.231 1.00 3.33 H new ATOM 0 HB3 LYS A 23 11.586 11.621 -15.157 1.00 3.33 H new ATOM 0 HG2 LYS A 23 13.848 10.250 -13.629 1.00 64.32 H new ATOM 0 HG3 LYS A 23 13.533 10.023 -15.338 1.00 64.32 H new ATOM 0 HD2 LYS A 23 13.883 12.473 -15.733 1.00 13.01 H new ATOM 0 HD3 LYS A 23 14.186 12.709 -14.023 1.00 13.01 H new ATOM 0 HE2 LYS A 23 15.879 10.976 -15.884 1.00 50.54 H new ATOM 0 HE3 LYS A 23 16.296 12.594 -15.354 1.00 50.54 H new ATOM 0 HZ1 LYS A 23 17.430 11.051 -13.983 1.00 63.54 H new ATOM 0 HZ2 LYS A 23 16.206 11.744 -13.032 1.00 63.54 H new ATOM 0 HZ3 LYS A 23 16.012 10.176 -13.654 1.00 63.54 H new ATOM 305 N LYS A 24 10.018 13.562 -12.358 1.00 12.02 N ATOM 306 CA LYS A 24 8.727 14.260 -12.278 1.00 21.20 C ATOM 307 C LYS A 24 8.970 15.775 -12.262 1.00 55.40 C ATOM 308 O LYS A 24 8.290 16.541 -11.557 1.00 71.54 O ATOM 309 CB LYS A 24 7.910 13.771 -11.046 1.00 40.25 C ATOM 310 CG LYS A 24 8.664 13.800 -9.698 1.00 22.24 C ATOM 311 CD LYS A 24 7.782 13.289 -8.532 1.00 72.33 C ATOM 312 CE LYS A 24 8.520 13.245 -7.190 1.00 33.00 C ATOM 313 NZ LYS A 24 7.620 12.841 -6.081 1.00 65.41 N ATOM 0 H LYS A 24 10.771 14.053 -11.876 1.00 12.02 H new ATOM 0 HA LYS A 24 8.125 14.027 -13.156 1.00 21.20 H new ATOM 0 HB2 LYS A 24 7.016 14.388 -10.956 1.00 40.25 H new ATOM 0 HB3 LYS A 24 7.576 12.751 -11.234 1.00 40.25 H new ATOM 0 HG2 LYS A 24 9.561 13.186 -9.771 1.00 22.24 H new ATOM 0 HG3 LYS A 24 8.991 14.818 -9.487 1.00 22.24 H new ATOM 0 HD2 LYS A 24 6.908 13.933 -8.437 1.00 72.33 H new ATOM 0 HD3 LYS A 24 7.418 12.290 -8.772 1.00 72.33 H new ATOM 0 HE2 LYS A 24 9.353 12.545 -7.256 1.00 33.00 H new ATOM 0 HE3 LYS A 24 8.944 14.226 -6.976 1.00 33.00 H new ATOM 0 HZ1 LYS A 24 8.147 12.255 -5.402 1.00 65.41 H new ATOM 0 HZ2 LYS A 24 7.260 13.690 -5.600 1.00 65.41 H new ATOM 0 HZ3 LYS A 24 6.822 12.295 -6.463 1.00 65.41 H new ATOM 327 N GLY A 25 9.959 16.191 -13.087 1.00 12.02 N ATOM 328 CA GLY A 25 10.177 17.598 -13.419 1.00 54.30 C ATOM 329 C GLY A 25 9.097 18.073 -14.392 1.00 33.01 C ATOM 330 O GLY A 25 9.366 18.333 -15.574 1.00 40.02 O ATOM 0 H GLY A 25 10.620 15.555 -13.534 1.00 12.02 H new ATOM 0 HA2 GLY A 25 10.155 18.203 -12.513 1.00 54.30 H new ATOM 0 HA3 GLY A 25 11.163 17.728 -13.864 1.00 54.30 H new ATOM 334 N GLY A 26 7.864 18.147 -13.870 1.00 51.22 N ATOM 335 CA GLY A 26 6.653 18.334 -14.655 1.00 2.34 C ATOM 336 C GLY A 26 5.536 17.462 -14.116 1.00 34.01 C ATOM 337 O GLY A 26 5.817 16.372 -13.599 1.00 35.21 O ATOM 0 H GLY A 26 7.686 18.076 -12.868 1.00 51.22 H new ATOM 0 HA2 GLY A 26 6.352 19.381 -14.627 1.00 2.34 H new ATOM 0 HA3 GLY A 26 6.846 18.086 -15.699 1.00 2.34 H new ATOM 341 N GLU A 27 4.284 17.935 -14.258 1.00 13.33 N ATOM 342 CA GLU A 27 3.082 17.295 -13.679 1.00 65.43 C ATOM 343 C GLU A 27 3.241 17.103 -12.142 1.00 72.33 C ATOM 344 O GLU A 27 3.420 15.968 -11.672 1.00 24.22 O ATOM 345 CB GLU A 27 2.738 15.945 -14.405 1.00 53.24 C ATOM 346 CG GLU A 27 2.267 16.070 -15.876 1.00 55.14 C ATOM 347 CD GLU A 27 3.320 16.670 -16.830 1.00 71.34 C ATOM 348 OE1 GLU A 27 4.269 15.948 -17.209 1.00 73.25 O ATOM 349 OE2 GLU A 27 3.231 17.867 -17.179 1.00 43.45 O ATOM 0 H GLU A 27 4.073 18.783 -14.784 1.00 13.33 H new ATOM 0 HA GLU A 27 2.237 17.964 -13.841 1.00 65.43 H new ATOM 0 HB2 GLU A 27 3.620 15.306 -14.379 1.00 53.24 H new ATOM 0 HB3 GLU A 27 1.959 15.437 -13.836 1.00 53.24 H new ATOM 0 HG2 GLU A 27 1.985 15.082 -16.240 1.00 55.14 H new ATOM 0 HG3 GLU A 27 1.371 16.689 -15.907 1.00 55.14 H new ATOM 356 N PRO A 28 3.254 18.227 -11.346 1.00 13.43 N ATOM 357 CA PRO A 28 3.298 18.162 -9.858 1.00 0.10 C ATOM 358 C PRO A 28 2.107 17.345 -9.291 1.00 15.10 C ATOM 359 O PRO A 28 0.969 17.619 -9.694 1.00 65.31 O ATOM 360 CB PRO A 28 3.226 19.655 -9.435 1.00 5.20 C ATOM 361 CG PRO A 28 3.755 20.410 -10.621 1.00 61.34 C ATOM 362 CD PRO A 28 3.255 19.645 -11.828 1.00 62.33 C ATOM 0 HA PRO A 28 4.187 17.658 -9.478 1.00 0.10 H new ATOM 0 HB2 PRO A 28 2.204 19.952 -9.200 1.00 5.20 H new ATOM 0 HB3 PRO A 28 3.826 19.844 -8.545 1.00 5.20 H new ATOM 0 HG2 PRO A 28 3.393 21.438 -10.628 1.00 61.34 H new ATOM 0 HG3 PRO A 28 4.844 20.456 -10.606 1.00 61.34 H new ATOM 0 HD2 PRO A 28 2.259 19.970 -12.129 1.00 62.33 H new ATOM 0 HD3 PRO A 28 3.908 19.778 -12.690 1.00 62.33 H new ATOM 370 N PRO A 29 2.365 16.330 -8.376 1.00 33.12 N ATOM 371 CA PRO A 29 1.336 15.376 -7.863 1.00 42.24 C ATOM 372 C PRO A 29 -0.035 16.028 -7.544 1.00 71.54 C ATOM 373 O PRO A 29 -0.984 15.873 -8.327 1.00 23.14 O ATOM 374 CB PRO A 29 2.025 14.770 -6.616 1.00 70.34 C ATOM 375 CG PRO A 29 3.482 14.765 -6.967 1.00 73.02 C ATOM 376 CD PRO A 29 3.708 16.029 -7.785 1.00 23.30 C ATOM 0 HA PRO A 29 1.057 14.631 -8.608 1.00 42.24 H new ATOM 0 HB2 PRO A 29 1.832 15.367 -5.725 1.00 70.34 H new ATOM 0 HB3 PRO A 29 1.662 13.763 -6.410 1.00 70.34 H new ATOM 0 HG2 PRO A 29 4.102 14.762 -6.070 1.00 73.02 H new ATOM 0 HG3 PRO A 29 3.745 13.875 -7.539 1.00 73.02 H new ATOM 0 HD2 PRO A 29 4.061 16.850 -7.160 1.00 23.30 H new ATOM 0 HD3 PRO A 29 4.458 15.873 -8.560 1.00 23.30 H new ATOM 384 N ALA A 30 -0.101 16.775 -6.428 1.00 45.35 N ATOM 385 CA ALA A 30 -1.275 17.592 -6.051 1.00 62.12 C ATOM 386 C ALA A 30 -0.996 18.390 -4.763 1.00 62.12 C ATOM 387 O ALA A 30 -0.625 17.811 -3.736 1.00 60.21 O ATOM 388 CB ALA A 30 -2.550 16.735 -5.855 1.00 3.21 C ATOM 0 H ALA A 30 0.663 16.831 -5.755 1.00 45.35 H new ATOM 0 HA ALA A 30 -1.452 18.279 -6.878 1.00 62.12 H new ATOM 0 HB1 ALA A 30 -3.384 17.381 -5.579 1.00 3.21 H new ATOM 0 HB2 ALA A 30 -2.785 16.215 -6.784 1.00 3.21 H new ATOM 0 HB3 ALA A 30 -2.380 16.005 -5.064 1.00 3.21 H new ATOM 394 N LEU A 31 -1.167 19.720 -4.836 1.00 72.01 N ATOM 395 CA LEU A 31 -1.190 20.592 -3.647 1.00 74.01 C ATOM 396 C LEU A 31 -2.564 20.464 -2.982 1.00 2.24 C ATOM 397 O LEU A 31 -3.579 20.331 -3.685 1.00 2.52 O ATOM 398 CB LEU A 31 -0.919 22.083 -4.010 1.00 41.41 C ATOM 399 CG LEU A 31 0.550 22.463 -4.411 1.00 64.14 C ATOM 400 CD1 LEU A 31 0.994 21.812 -5.741 1.00 1.44 C ATOM 401 CD2 LEU A 31 0.725 23.998 -4.454 1.00 54.20 C ATOM 0 H LEU A 31 -1.293 20.221 -5.716 1.00 72.01 H new ATOM 0 HA LEU A 31 -0.397 20.276 -2.969 1.00 74.01 H new ATOM 0 HB2 LEU A 31 -1.577 22.356 -4.835 1.00 41.41 H new ATOM 0 HB3 LEU A 31 -1.207 22.697 -3.157 1.00 41.41 H new ATOM 0 HG LEU A 31 1.204 22.060 -3.638 1.00 64.14 H new ATOM 0 HD11 LEU A 31 2.018 22.110 -5.968 1.00 1.44 H new ATOM 0 HD12 LEU A 31 0.944 20.727 -5.650 1.00 1.44 H new ATOM 0 HD13 LEU A 31 0.334 22.139 -6.544 1.00 1.44 H new ATOM 0 HD21 LEU A 31 1.750 24.240 -4.734 1.00 54.20 H new ATOM 0 HD22 LEU A 31 0.039 24.422 -5.187 1.00 54.20 H new ATOM 0 HD23 LEU A 31 0.509 24.416 -3.471 1.00 54.20 H new ATOM 413 N ILE A 32 -2.574 20.536 -1.637 1.00 42.21 N ATOM 414 CA ILE A 32 -3.767 20.338 -0.801 1.00 54.13 C ATOM 415 C ILE A 32 -4.304 18.905 -1.012 1.00 44.43 C ATOM 416 O ILE A 32 -5.249 18.669 -1.777 1.00 31.13 O ATOM 417 CB ILE A 32 -4.892 21.437 -1.039 1.00 41.42 C ATOM 418 CG1 ILE A 32 -4.293 22.871 -0.868 1.00 53.04 C ATOM 419 CG2 ILE A 32 -6.111 21.234 -0.096 1.00 43.43 C ATOM 420 CD1 ILE A 32 -5.278 24.014 -1.086 1.00 24.12 C ATOM 0 H ILE A 32 -1.735 20.738 -1.093 1.00 42.21 H new ATOM 0 HA ILE A 32 -3.470 20.462 0.240 1.00 54.13 H new ATOM 0 HB ILE A 32 -5.254 21.324 -2.061 1.00 41.42 H new ATOM 0 HG12 ILE A 32 -3.877 22.957 0.136 1.00 53.04 H new ATOM 0 HG13 ILE A 32 -3.465 22.988 -1.567 1.00 53.04 H new ATOM 0 HG21 ILE A 32 -6.855 22.006 -0.292 1.00 43.43 H new ATOM 0 HG22 ILE A 32 -6.550 20.253 -0.275 1.00 43.43 H new ATOM 0 HG23 ILE A 32 -5.784 21.301 0.941 1.00 43.43 H new ATOM 0 HD11 ILE A 32 -4.767 24.966 -0.945 1.00 24.12 H new ATOM 0 HD12 ILE A 32 -5.677 23.963 -2.099 1.00 24.12 H new ATOM 0 HD13 ILE A 32 -6.096 23.931 -0.370 1.00 24.12 H new ATOM 432 N VAL A 33 -3.603 17.945 -0.388 1.00 34.12 N ATOM 433 CA VAL A 33 -4.025 16.532 -0.321 1.00 20.30 C ATOM 434 C VAL A 33 -5.273 16.420 0.598 1.00 43.00 C ATOM 435 O VAL A 33 -5.651 17.412 1.232 1.00 51.43 O ATOM 436 CB VAL A 33 -2.824 15.645 0.209 1.00 54.24 C ATOM 437 CG1 VAL A 33 -2.507 15.936 1.696 1.00 13.23 C ATOM 438 CG2 VAL A 33 -3.041 14.131 -0.045 1.00 75.35 C ATOM 0 H VAL A 33 -2.720 18.127 0.089 1.00 34.12 H new ATOM 0 HA VAL A 33 -4.296 16.166 -1.311 1.00 20.30 H new ATOM 0 HB VAL A 33 -1.949 15.933 -0.374 1.00 54.24 H new ATOM 0 HG11 VAL A 33 -1.678 15.308 2.021 1.00 13.23 H new ATOM 0 HG12 VAL A 33 -2.234 16.985 1.811 1.00 13.23 H new ATOM 0 HG13 VAL A 33 -3.386 15.721 2.304 1.00 13.23 H new ATOM 0 HG21 VAL A 33 -2.188 13.572 0.338 1.00 75.35 H new ATOM 0 HG22 VAL A 33 -3.948 13.803 0.463 1.00 75.35 H new ATOM 0 HG23 VAL A 33 -3.141 13.952 -1.116 1.00 75.35 H new ATOM 448 N ASP A 34 -5.919 15.237 0.655 1.00 1.21 N ATOM 449 CA ASP A 34 -7.115 15.034 1.499 1.00 53.30 C ATOM 450 C ASP A 34 -6.757 15.263 3.001 1.00 73.14 C ATOM 451 O ASP A 34 -5.985 14.479 3.573 1.00 74.03 O ATOM 452 CB ASP A 34 -7.702 13.615 1.279 1.00 54.32 C ATOM 453 CG ASP A 34 -9.075 13.425 1.951 1.00 4.23 C ATOM 454 OD1 ASP A 34 -9.132 13.201 3.174 1.00 25.52 O ATOM 455 OD2 ASP A 34 -10.106 13.523 1.260 1.00 44.54 O ATOM 0 H ASP A 34 -5.634 14.411 0.129 1.00 1.21 H new ATOM 0 HA ASP A 34 -7.875 15.760 1.212 1.00 53.30 H new ATOM 0 HB2 ASP A 34 -7.797 13.428 0.209 1.00 54.32 H new ATOM 0 HB3 ASP A 34 -7.005 12.874 1.671 1.00 54.32 H new ATOM 460 N PRO A 35 -7.303 16.351 3.655 1.00 22.32 N ATOM 461 CA PRO A 35 -6.973 16.692 5.062 1.00 0.30 C ATOM 462 C PRO A 35 -7.831 15.916 6.081 1.00 15.32 C ATOM 463 O PRO A 35 -7.577 15.967 7.289 1.00 70.21 O ATOM 464 CB PRO A 35 -7.293 18.201 5.109 1.00 42.30 C ATOM 465 CG PRO A 35 -8.486 18.350 4.198 1.00 4.35 C ATOM 466 CD PRO A 35 -8.291 17.324 3.084 1.00 10.14 C ATOM 0 HA PRO A 35 -5.947 16.437 5.328 1.00 0.30 H new ATOM 0 HB2 PRO A 35 -7.522 18.529 6.123 1.00 42.30 H new ATOM 0 HB3 PRO A 35 -6.450 18.799 4.763 1.00 42.30 H new ATOM 0 HG2 PRO A 35 -9.415 18.169 4.738 1.00 4.35 H new ATOM 0 HG3 PRO A 35 -8.545 19.360 3.793 1.00 4.35 H new ATOM 0 HD2 PRO A 35 -9.229 16.834 2.824 1.00 10.14 H new ATOM 0 HD3 PRO A 35 -7.912 17.790 2.174 1.00 10.14 H new ATOM 474 N LEU A 36 -8.856 15.213 5.572 1.00 5.55 N ATOM 475 CA LEU A 36 -9.826 14.479 6.395 1.00 41.11 C ATOM 476 C LEU A 36 -9.328 13.045 6.668 1.00 0.24 C ATOM 477 O LEU A 36 -9.920 12.326 7.490 1.00 25.51 O ATOM 478 CB LEU A 36 -11.199 14.453 5.678 1.00 55.40 C ATOM 479 CG LEU A 36 -11.811 15.840 5.311 1.00 2.34 C ATOM 480 CD1 LEU A 36 -13.167 15.681 4.595 1.00 13.22 C ATOM 481 CD2 LEU A 36 -11.936 16.749 6.554 1.00 43.35 C ATOM 0 H LEU A 36 -9.034 15.139 4.570 1.00 5.55 H new ATOM 0 HA LEU A 36 -9.936 14.985 7.354 1.00 41.11 H new ATOM 0 HB2 LEU A 36 -11.096 13.871 4.762 1.00 55.40 H new ATOM 0 HB3 LEU A 36 -11.908 13.923 6.315 1.00 55.40 H new ATOM 0 HG LEU A 36 -11.126 16.327 4.617 1.00 2.34 H new ATOM 0 HD11 LEU A 36 -13.568 16.665 4.352 1.00 13.22 H new ATOM 0 HD12 LEU A 36 -13.029 15.109 3.677 1.00 13.22 H new ATOM 0 HD13 LEU A 36 -13.864 15.156 5.248 1.00 13.22 H new ATOM 0 HD21 LEU A 36 -12.366 17.707 6.262 1.00 43.35 H new ATOM 0 HD22 LEU A 36 -12.581 16.271 7.291 1.00 43.35 H new ATOM 0 HD23 LEU A 36 -10.949 16.911 6.987 1.00 43.35 H new ATOM 493 N MET A 37 -8.260 12.644 5.933 1.00 22.31 N ATOM 494 CA MET A 37 -7.607 11.328 6.052 1.00 70.05 C ATOM 495 C MET A 37 -8.608 10.219 5.656 1.00 44.04 C ATOM 496 O MET A 37 -8.719 9.167 6.304 1.00 4.41 O ATOM 497 CB MET A 37 -7.013 11.141 7.482 1.00 22.14 C ATOM 498 CG MET A 37 -6.045 9.958 7.655 1.00 23.33 C ATOM 499 SD MET A 37 -5.416 9.836 9.343 1.00 20.10 S ATOM 500 CE MET A 37 -6.930 9.562 10.268 1.00 1.13 C ATOM 0 H MET A 37 -7.825 13.242 5.230 1.00 22.31 H new ATOM 0 HA MET A 37 -6.764 11.262 5.364 1.00 70.05 H new ATOM 0 HB2 MET A 37 -6.492 12.057 7.761 1.00 22.14 H new ATOM 0 HB3 MET A 37 -7.837 11.017 8.184 1.00 22.14 H new ATOM 0 HG2 MET A 37 -6.555 9.031 7.391 1.00 23.33 H new ATOM 0 HG3 MET A 37 -5.209 10.070 6.964 1.00 23.33 H new ATOM 0 HE1 MET A 37 -6.690 9.123 11.236 1.00 1.13 H new ATOM 0 HE2 MET A 37 -7.442 10.513 10.418 1.00 1.13 H new ATOM 0 HE3 MET A 37 -7.578 8.884 9.713 1.00 1.13 H new ATOM 510 N LYS A 38 -9.362 10.497 4.573 1.00 62.12 N ATOM 511 CA LYS A 38 -10.277 9.533 3.958 1.00 24.55 C ATOM 512 C LYS A 38 -9.438 8.470 3.259 1.00 44.43 C ATOM 513 O LYS A 38 -8.618 8.805 2.394 1.00 11.42 O ATOM 514 CB LYS A 38 -11.234 10.242 2.957 1.00 73.43 C ATOM 515 CG LYS A 38 -12.063 11.430 3.536 1.00 4.34 C ATOM 516 CD LYS A 38 -13.369 11.032 4.273 1.00 34.51 C ATOM 517 CE LYS A 38 -13.166 10.224 5.570 1.00 52.32 C ATOM 518 NZ LYS A 38 -12.245 10.899 6.528 1.00 71.15 N ATOM 0 H LYS A 38 -9.348 11.402 4.104 1.00 62.12 H new ATOM 0 HA LYS A 38 -10.903 9.068 4.720 1.00 24.55 H new ATOM 0 HB2 LYS A 38 -10.644 10.610 2.118 1.00 73.43 H new ATOM 0 HB3 LYS A 38 -11.926 9.501 2.558 1.00 73.43 H new ATOM 0 HG2 LYS A 38 -11.432 11.989 4.227 1.00 4.34 H new ATOM 0 HG3 LYS A 38 -12.318 12.105 2.719 1.00 4.34 H new ATOM 0 HD2 LYS A 38 -13.925 11.939 4.511 1.00 34.51 H new ATOM 0 HD3 LYS A 38 -13.989 10.448 3.592 1.00 34.51 H new ATOM 0 HE2 LYS A 38 -14.132 10.066 6.050 1.00 52.32 H new ATOM 0 HE3 LYS A 38 -12.769 9.240 5.322 1.00 52.32 H new ATOM 0 HZ1 LYS A 38 -12.222 10.367 7.421 1.00 71.15 H new ATOM 0 HZ2 LYS A 38 -11.288 10.936 6.122 1.00 71.15 H new ATOM 0 HZ3 LYS A 38 -12.581 11.866 6.710 1.00 71.15 H new ATOM 532 N TYR A 39 -9.619 7.208 3.667 1.00 1.33 N ATOM 533 CA TYR A 39 -8.798 6.091 3.199 1.00 2.11 C ATOM 534 C TYR A 39 -9.131 5.762 1.734 1.00 10.13 C ATOM 535 O TYR A 39 -10.014 4.954 1.432 1.00 52.10 O ATOM 536 CB TYR A 39 -8.972 4.877 4.147 1.00 30.24 C ATOM 537 CG TYR A 39 -8.566 5.189 5.604 1.00 40.34 C ATOM 538 CD1 TYR A 39 -7.307 5.733 5.895 1.00 1.03 C ATOM 539 CD2 TYR A 39 -9.433 4.960 6.673 1.00 32.11 C ATOM 540 CE1 TYR A 39 -6.934 6.030 7.189 1.00 52.22 C ATOM 541 CE2 TYR A 39 -9.061 5.258 7.971 1.00 13.13 C ATOM 542 CZ TYR A 39 -7.809 5.790 8.224 1.00 62.54 C ATOM 543 OH TYR A 39 -7.432 6.078 9.514 1.00 71.01 O ATOM 0 H TYR A 39 -10.342 6.935 4.333 1.00 1.33 H new ATOM 0 HA TYR A 39 -7.744 6.368 3.224 1.00 2.11 H new ATOM 0 HB2 TYR A 39 -10.012 4.553 4.127 1.00 30.24 H new ATOM 0 HB3 TYR A 39 -8.372 4.045 3.778 1.00 30.24 H new ATOM 0 HD1 TYR A 39 -6.614 5.924 5.088 1.00 1.03 H new ATOM 0 HD2 TYR A 39 -10.411 4.543 6.483 1.00 32.11 H new ATOM 0 HE1 TYR A 39 -5.959 6.449 7.389 1.00 52.22 H new ATOM 0 HE2 TYR A 39 -9.746 5.076 8.786 1.00 13.13 H new ATOM 0 HH TYR A 39 -8.163 5.852 10.127 1.00 71.01 H new ATOM 553 N ILE A 40 -8.448 6.497 0.843 1.00 43.41 N ATOM 554 CA ILE A 40 -8.564 6.399 -0.609 1.00 35.33 C ATOM 555 C ILE A 40 -7.259 5.826 -1.165 1.00 64.42 C ATOM 556 O ILE A 40 -6.184 6.400 -0.934 1.00 1.15 O ATOM 557 CB ILE A 40 -8.829 7.826 -1.232 1.00 3.15 C ATOM 558 CG1 ILE A 40 -10.214 8.394 -0.786 1.00 11.21 C ATOM 559 CG2 ILE A 40 -8.695 7.827 -2.772 1.00 63.42 C ATOM 560 CD1 ILE A 40 -10.541 9.785 -1.330 1.00 60.51 C ATOM 0 H ILE A 40 -7.773 7.204 1.133 1.00 43.41 H new ATOM 0 HA ILE A 40 -9.399 5.748 -0.868 1.00 35.33 H new ATOM 0 HB ILE A 40 -8.054 8.487 -0.844 1.00 3.15 H new ATOM 0 HG12 ILE A 40 -10.994 7.702 -1.104 1.00 11.21 H new ATOM 0 HG13 ILE A 40 -10.243 8.429 0.303 1.00 11.21 H new ATOM 0 HG21 ILE A 40 -8.886 8.830 -3.153 1.00 63.42 H new ATOM 0 HG22 ILE A 40 -7.687 7.519 -3.050 1.00 63.42 H new ATOM 0 HG23 ILE A 40 -9.417 7.132 -3.201 1.00 63.42 H new ATOM 0 HD11 ILE A 40 -11.521 10.096 -0.968 1.00 60.51 H new ATOM 0 HD12 ILE A 40 -9.786 10.495 -0.991 1.00 60.51 H new ATOM 0 HD13 ILE A 40 -10.549 9.757 -2.420 1.00 60.51 H new ATOM 572 N CYS A 41 -7.353 4.703 -1.894 1.00 35.03 N ATOM 573 CA CYS A 41 -6.199 4.114 -2.572 1.00 2.05 C ATOM 574 C CYS A 41 -5.730 5.085 -3.667 1.00 45.42 C ATOM 575 O CYS A 41 -6.428 5.310 -4.658 1.00 1.03 O ATOM 576 CB CYS A 41 -6.559 2.734 -3.152 1.00 22.13 C ATOM 577 SG CYS A 41 -5.197 1.863 -4.001 1.00 40.14 S ATOM 0 H CYS A 41 -8.223 4.186 -2.026 1.00 35.03 H new ATOM 0 HA CYS A 41 -5.386 3.957 -1.863 1.00 2.05 H new ATOM 0 HB2 CYS A 41 -6.923 2.102 -2.342 1.00 22.13 H new ATOM 0 HB3 CYS A 41 -7.383 2.858 -3.855 1.00 22.13 H new ATOM 582 N HIS A 42 -4.549 5.664 -3.427 1.00 21.10 N ATOM 583 CA HIS A 42 -3.959 6.769 -4.213 1.00 3.34 C ATOM 584 C HIS A 42 -3.617 6.354 -5.669 1.00 4.14 C ATOM 585 O HIS A 42 -3.328 7.203 -6.515 1.00 4.43 O ATOM 586 CB HIS A 42 -2.717 7.278 -3.432 1.00 72.14 C ATOM 587 CG HIS A 42 -2.043 8.497 -3.999 1.00 14.31 C ATOM 588 ND1 HIS A 42 -0.786 8.461 -4.561 1.00 44.05 N ATOM 589 CD2 HIS A 42 -2.443 9.791 -4.061 1.00 73.21 C ATOM 590 CE1 HIS A 42 -0.441 9.671 -4.939 1.00 71.30 C ATOM 591 NE2 HIS A 42 -1.428 10.494 -4.647 1.00 61.11 N ATOM 0 H HIS A 42 -3.951 5.371 -2.654 1.00 21.10 H new ATOM 0 HA HIS A 42 -4.686 7.573 -4.326 1.00 3.34 H new ATOM 0 HB2 HIS A 42 -3.019 7.496 -2.408 1.00 72.14 H new ATOM 0 HB3 HIS A 42 -1.986 6.471 -3.383 1.00 72.14 H new ATOM 0 HD2 HIS A 42 -3.384 10.190 -3.713 1.00 73.21 H new ATOM 0 HE1 HIS A 42 0.492 9.945 -5.409 1.00 71.30 H new ATOM 0 HE2 HIS A 42 -1.434 11.498 -4.830 1.00 61.11 H new ATOM 600 N ILE A 43 -3.698 5.040 -5.953 1.00 74.12 N ATOM 601 CA ILE A 43 -3.471 4.468 -7.298 1.00 54.42 C ATOM 602 C ILE A 43 -4.830 4.125 -7.969 1.00 4.01 C ATOM 603 O ILE A 43 -4.954 4.169 -9.206 1.00 11.30 O ATOM 604 CB ILE A 43 -2.525 3.208 -7.200 1.00 0.10 C ATOM 605 CG1 ILE A 43 -1.111 3.653 -6.699 1.00 42.53 C ATOM 606 CG2 ILE A 43 -2.415 2.447 -8.551 1.00 24.14 C ATOM 607 CD1 ILE A 43 -0.111 2.529 -6.476 1.00 44.21 C ATOM 0 H ILE A 43 -3.925 4.337 -5.250 1.00 74.12 H new ATOM 0 HA ILE A 43 -2.971 5.205 -7.927 1.00 54.42 H new ATOM 0 HB ILE A 43 -2.965 2.513 -6.484 1.00 0.10 H new ATOM 0 HG12 ILE A 43 -0.691 4.351 -7.424 1.00 42.53 H new ATOM 0 HG13 ILE A 43 -1.232 4.199 -5.763 1.00 42.53 H new ATOM 0 HG21 ILE A 43 -1.754 1.589 -8.432 1.00 24.14 H new ATOM 0 HG22 ILE A 43 -3.403 2.104 -8.857 1.00 24.14 H new ATOM 0 HG23 ILE A 43 -2.011 3.114 -9.312 1.00 24.14 H new ATOM 0 HD11 ILE A 43 0.835 2.947 -6.130 1.00 44.21 H new ATOM 0 HD12 ILE A 43 -0.499 1.840 -5.726 1.00 44.21 H new ATOM 0 HD13 ILE A 43 0.050 1.994 -7.412 1.00 44.21 H new ATOM 619 N CYS A 44 -5.858 3.826 -7.147 1.00 64.44 N ATOM 620 CA CYS A 44 -7.209 3.466 -7.634 1.00 15.23 C ATOM 621 C CYS A 44 -8.106 4.710 -7.812 1.00 41.32 C ATOM 622 O CYS A 44 -9.136 4.628 -8.495 1.00 11.32 O ATOM 623 CB CYS A 44 -7.877 2.495 -6.644 1.00 75.33 C ATOM 624 SG CYS A 44 -6.935 0.973 -6.374 1.00 1.13 S ATOM 0 H CYS A 44 -5.777 3.827 -6.130 1.00 64.44 H new ATOM 0 HA CYS A 44 -7.093 2.991 -8.608 1.00 15.23 H new ATOM 0 HB2 CYS A 44 -8.015 3.001 -5.689 1.00 75.33 H new ATOM 0 HB3 CYS A 44 -8.869 2.237 -7.014 1.00 75.33 H new ATOM 0 HG CYS A 44 -6.713 0.820 -5.102 1.00 1.13 H new ATOM 629 N ASN A 45 -7.729 5.825 -7.127 1.00 64.31 N ATOM 630 CA ASN A 45 -8.509 7.105 -7.053 1.00 45.21 C ATOM 631 C ASN A 45 -9.748 6.978 -6.118 1.00 33.32 C ATOM 632 O ASN A 45 -10.382 7.981 -5.771 1.00 42.44 O ATOM 633 CB ASN A 45 -8.877 7.663 -8.467 1.00 53.34 C ATOM 634 CG ASN A 45 -9.644 8.999 -8.451 1.00 74.32 C ATOM 635 OD1 ASN A 45 -9.049 10.072 -8.356 1.00 30.11 O ATOM 636 ND2 ASN A 45 -10.964 8.946 -8.549 1.00 13.14 N ATOM 0 H ASN A 45 -6.858 5.866 -6.598 1.00 64.31 H new ATOM 0 HA ASN A 45 -7.852 7.847 -6.599 1.00 45.21 H new ATOM 0 HB2 ASN A 45 -7.960 7.793 -9.042 1.00 53.34 H new ATOM 0 HB3 ASN A 45 -9.479 6.920 -8.991 1.00 53.34 H new ATOM 0 HD21 ASN A 45 -11.511 9.807 -8.547 1.00 13.14 H new ATOM 0 HD22 ASN A 45 -11.434 8.044 -8.627 1.00 13.14 H new ATOM 643 N ARG A 46 -10.055 5.747 -5.665 1.00 64.23 N ATOM 644 CA ARG A 46 -11.098 5.475 -4.659 1.00 4.42 C ATOM 645 C ARG A 46 -10.594 4.437 -3.637 1.00 64.52 C ATOM 646 O ARG A 46 -9.648 3.684 -3.907 1.00 53.22 O ATOM 647 CB ARG A 46 -12.463 5.053 -5.324 1.00 43.22 C ATOM 648 CG ARG A 46 -12.420 4.028 -6.500 1.00 54.11 C ATOM 649 CD ARG A 46 -11.857 2.630 -6.128 1.00 51.05 C ATOM 650 NE ARG A 46 -12.177 1.590 -7.118 1.00 45.53 N ATOM 651 CZ ARG A 46 -11.587 1.437 -8.315 1.00 3.23 C ATOM 652 NH1 ARG A 46 -10.637 2.268 -8.739 1.00 72.15 N ATOM 653 NH2 ARG A 46 -11.954 0.441 -9.084 1.00 74.52 N ATOM 0 H ARG A 46 -9.580 4.905 -5.991 1.00 64.23 H new ATOM 0 HA ARG A 46 -11.304 6.400 -4.120 1.00 4.42 H new ATOM 0 HB2 ARG A 46 -13.101 4.638 -4.543 1.00 43.22 H new ATOM 0 HB3 ARG A 46 -12.951 5.957 -5.687 1.00 43.22 H new ATOM 0 HG2 ARG A 46 -13.429 3.904 -6.892 1.00 54.11 H new ATOM 0 HG3 ARG A 46 -11.814 4.445 -7.304 1.00 54.11 H new ATOM 0 HD2 ARG A 46 -10.774 2.699 -6.021 1.00 51.05 H new ATOM 0 HD3 ARG A 46 -12.255 2.333 -5.158 1.00 51.05 H new ATOM 0 HE ARG A 46 -12.912 0.926 -6.874 1.00 45.53 H new ATOM 0 HH11 ARG A 46 -10.339 3.046 -8.150 1.00 72.15 H new ATOM 0 HH12 ARG A 46 -10.207 2.127 -9.653 1.00 72.15 H new ATOM 0 HH21 ARG A 46 -12.679 -0.205 -8.771 1.00 74.52 H new ATOM 0 HH22 ARG A 46 -11.515 0.312 -9.996 1.00 74.52 H new ATOM 667 N GLY A 47 -11.231 4.416 -2.460 1.00 61.21 N ATOM 668 CA GLY A 47 -10.929 3.445 -1.409 1.00 12.23 C ATOM 669 C GLY A 47 -12.048 2.439 -1.228 1.00 74.51 C ATOM 670 O GLY A 47 -12.494 2.192 -0.103 1.00 41.04 O ATOM 0 H GLY A 47 -11.970 5.074 -2.212 1.00 61.21 H new ATOM 0 HA2 GLY A 47 -10.006 2.920 -1.654 1.00 12.23 H new ATOM 0 HA3 GLY A 47 -10.757 3.970 -0.469 1.00 12.23 H new ATOM 674 N ASP A 48 -12.474 1.842 -2.359 1.00 43.41 N ATOM 675 CA ASP A 48 -13.615 0.889 -2.428 1.00 25.53 C ATOM 676 C ASP A 48 -13.397 -0.347 -1.525 1.00 12.23 C ATOM 677 O ASP A 48 -14.351 -0.879 -0.956 1.00 10.40 O ATOM 678 CB ASP A 48 -13.841 0.468 -3.909 1.00 30.42 C ATOM 679 CG ASP A 48 -15.046 -0.460 -4.136 1.00 22.23 C ATOM 680 OD1 ASP A 48 -16.182 0.044 -4.200 1.00 33.14 O ATOM 681 OD2 ASP A 48 -14.863 -1.693 -4.254 1.00 22.12 O ATOM 0 H ASP A 48 -12.034 2.006 -3.265 1.00 43.41 H new ATOM 0 HA ASP A 48 -14.506 1.391 -2.052 1.00 25.53 H new ATOM 0 HB2 ASP A 48 -13.973 1.366 -4.512 1.00 30.42 H new ATOM 0 HB3 ASP A 48 -12.942 -0.030 -4.272 1.00 30.42 H new ATOM 686 N VAL A 49 -12.129 -0.800 -1.411 1.00 5.45 N ATOM 687 CA VAL A 49 -11.736 -1.872 -0.473 1.00 15.02 C ATOM 688 C VAL A 49 -10.750 -1.314 0.572 1.00 12.42 C ATOM 689 O VAL A 49 -9.542 -1.242 0.328 1.00 71.20 O ATOM 690 CB VAL A 49 -11.099 -3.106 -1.217 1.00 51.43 C ATOM 691 CG1 VAL A 49 -10.739 -4.243 -0.228 1.00 25.14 C ATOM 692 CG2 VAL A 49 -12.033 -3.625 -2.330 1.00 13.43 C ATOM 0 H VAL A 49 -11.354 -0.434 -1.964 1.00 5.45 H new ATOM 0 HA VAL A 49 -12.639 -2.225 0.025 1.00 15.02 H new ATOM 0 HB VAL A 49 -10.173 -2.764 -1.680 1.00 51.43 H new ATOM 0 HG11 VAL A 49 -10.302 -5.078 -0.776 1.00 25.14 H new ATOM 0 HG12 VAL A 49 -10.021 -3.874 0.504 1.00 25.14 H new ATOM 0 HG13 VAL A 49 -11.641 -4.578 0.285 1.00 25.14 H new ATOM 0 HG21 VAL A 49 -11.569 -4.477 -2.827 1.00 13.43 H new ATOM 0 HG22 VAL A 49 -12.983 -3.933 -1.893 1.00 13.43 H new ATOM 0 HG23 VAL A 49 -12.208 -2.832 -3.057 1.00 13.43 H new ATOM 702 N GLU A 50 -11.280 -0.897 1.727 1.00 74.42 N ATOM 703 CA GLU A 50 -10.452 -0.475 2.879 1.00 53.24 C ATOM 704 C GLU A 50 -9.749 -1.692 3.528 1.00 43.33 C ATOM 705 O GLU A 50 -8.716 -1.546 4.181 1.00 74.24 O ATOM 706 CB GLU A 50 -11.320 0.259 3.938 1.00 10.43 C ATOM 707 CG GLU A 50 -12.450 -0.604 4.544 1.00 62.10 C ATOM 708 CD GLU A 50 -13.210 0.095 5.677 1.00 63.33 C ATOM 709 OE1 GLU A 50 -14.088 0.932 5.386 1.00 74.14 O ATOM 710 OE2 GLU A 50 -12.933 -0.188 6.864 1.00 24.15 O ATOM 0 H GLU A 50 -12.284 -0.840 1.896 1.00 74.42 H new ATOM 0 HA GLU A 50 -9.691 0.212 2.509 1.00 53.24 H new ATOM 0 HB2 GLU A 50 -10.673 0.607 4.743 1.00 10.43 H new ATOM 0 HB3 GLU A 50 -11.761 1.144 3.479 1.00 10.43 H new ATOM 0 HG2 GLU A 50 -13.154 -0.873 3.756 1.00 62.10 H new ATOM 0 HG3 GLU A 50 -12.024 -1.534 4.922 1.00 62.10 H new ATOM 717 N GLU A 51 -10.344 -2.889 3.337 1.00 54.10 N ATOM 718 CA GLU A 51 -9.895 -4.154 3.959 1.00 0.21 C ATOM 719 C GLU A 51 -8.482 -4.583 3.504 1.00 64.01 C ATOM 720 O GLU A 51 -7.691 -5.085 4.307 1.00 24.42 O ATOM 721 CB GLU A 51 -10.916 -5.269 3.607 1.00 12.44 C ATOM 722 CG GLU A 51 -12.388 -4.880 3.871 1.00 31.20 C ATOM 723 CD GLU A 51 -13.384 -5.967 3.449 1.00 74.04 C ATOM 724 OE1 GLU A 51 -13.478 -6.255 2.238 1.00 70.33 O ATOM 725 OE2 GLU A 51 -14.084 -6.533 4.321 1.00 24.24 O ATOM 0 H GLU A 51 -11.161 -3.006 2.738 1.00 54.10 H new ATOM 0 HA GLU A 51 -9.841 -3.993 5.036 1.00 0.21 H new ATOM 0 HB2 GLU A 51 -10.803 -5.531 2.555 1.00 12.44 H new ATOM 0 HB3 GLU A 51 -10.678 -6.162 4.185 1.00 12.44 H new ATOM 0 HG2 GLU A 51 -12.517 -4.670 4.933 1.00 31.20 H new ATOM 0 HG3 GLU A 51 -12.616 -3.959 3.334 1.00 31.20 H new ATOM 732 N SER A 52 -8.173 -4.356 2.222 1.00 1.12 N ATOM 733 CA SER A 52 -6.862 -4.717 1.626 1.00 32.14 C ATOM 734 C SER A 52 -5.952 -3.482 1.522 1.00 54.23 C ATOM 735 O SER A 52 -4.920 -3.508 0.831 1.00 3.40 O ATOM 736 CB SER A 52 -7.097 -5.354 0.238 1.00 73.55 C ATOM 737 OG SER A 52 -8.022 -6.425 0.331 1.00 41.43 O ATOM 0 H SER A 52 -8.816 -3.919 1.562 1.00 1.12 H new ATOM 0 HA SER A 52 -6.358 -5.439 2.268 1.00 32.14 H new ATOM 0 HB2 SER A 52 -7.473 -4.601 -0.455 1.00 73.55 H new ATOM 0 HB3 SER A 52 -6.152 -5.716 -0.167 1.00 73.55 H new ATOM 0 HG SER A 52 -8.160 -6.816 -0.557 1.00 41.43 H new ATOM 743 N MET A 53 -6.336 -2.409 2.237 1.00 50.02 N ATOM 744 CA MET A 53 -5.652 -1.121 2.179 1.00 33.22 C ATOM 745 C MET A 53 -4.633 -0.993 3.322 1.00 1.40 C ATOM 746 O MET A 53 -4.976 -1.115 4.505 1.00 3.03 O ATOM 747 CB MET A 53 -6.677 0.027 2.232 1.00 51.24 C ATOM 748 CG MET A 53 -6.080 1.435 2.122 1.00 3.34 C ATOM 749 SD MET A 53 -7.352 2.702 2.070 1.00 11.11 S ATOM 750 CE MET A 53 -8.288 2.201 0.632 1.00 73.12 C ATOM 0 H MET A 53 -7.134 -2.420 2.872 1.00 50.02 H new ATOM 0 HA MET A 53 -5.109 -1.059 1.236 1.00 33.22 H new ATOM 0 HB2 MET A 53 -7.396 -0.110 1.424 1.00 51.24 H new ATOM 0 HB3 MET A 53 -7.231 -0.044 3.168 1.00 51.24 H new ATOM 0 HG2 MET A 53 -5.421 1.617 2.971 1.00 3.34 H new ATOM 0 HG3 MET A 53 -5.467 1.500 1.223 1.00 3.34 H new ATOM 0 HE1 MET A 53 -8.546 3.080 0.042 1.00 73.12 H new ATOM 0 HE2 MET A 53 -7.689 1.521 0.027 1.00 73.12 H new ATOM 0 HE3 MET A 53 -9.200 1.696 0.949 1.00 73.12 H new ATOM 760 N LEU A 54 -3.381 -0.768 2.927 1.00 60.03 N ATOM 761 CA LEU A 54 -2.252 -0.497 3.814 1.00 74.43 C ATOM 762 C LEU A 54 -2.146 1.018 4.052 1.00 31.43 C ATOM 763 O LEU A 54 -2.479 1.820 3.166 1.00 23.14 O ATOM 764 CB LEU A 54 -0.951 -1.028 3.152 1.00 30.55 C ATOM 765 CG LEU A 54 -1.028 -2.463 2.549 1.00 54.35 C ATOM 766 CD1 LEU A 54 0.313 -2.865 1.916 1.00 73.15 C ATOM 767 CD2 LEU A 54 -1.487 -3.481 3.604 1.00 3.31 C ATOM 0 H LEU A 54 -3.115 -0.770 1.942 1.00 60.03 H new ATOM 0 HA LEU A 54 -2.398 -0.997 4.772 1.00 74.43 H new ATOM 0 HB2 LEU A 54 -0.662 -0.337 2.360 1.00 30.55 H new ATOM 0 HB3 LEU A 54 -0.155 -1.010 3.896 1.00 30.55 H new ATOM 0 HG LEU A 54 -1.775 -2.459 1.756 1.00 54.35 H new ATOM 0 HD11 LEU A 54 0.233 -3.870 1.502 1.00 73.15 H new ATOM 0 HD12 LEU A 54 0.564 -2.164 1.120 1.00 73.15 H new ATOM 0 HD13 LEU A 54 1.094 -2.846 2.676 1.00 73.15 H new ATOM 0 HD21 LEU A 54 -1.532 -4.474 3.156 1.00 3.31 H new ATOM 0 HD22 LEU A 54 -0.780 -3.489 4.434 1.00 3.31 H new ATOM 0 HD23 LEU A 54 -2.475 -3.204 3.972 1.00 3.31 H new ATOM 779 N LEU A 55 -1.677 1.405 5.243 1.00 33.42 N ATOM 780 CA LEU A 55 -1.477 2.814 5.610 1.00 52.25 C ATOM 781 C LEU A 55 0.012 3.075 5.844 1.00 22.23 C ATOM 782 O LEU A 55 0.671 2.316 6.566 1.00 71.24 O ATOM 783 CB LEU A 55 -2.336 3.193 6.868 1.00 34.04 C ATOM 784 CG LEU A 55 -3.587 4.074 6.571 1.00 53.20 C ATOM 785 CD1 LEU A 55 -3.161 5.445 5.986 1.00 41.24 C ATOM 786 CD2 LEU A 55 -4.584 3.337 5.641 1.00 0.42 C ATOM 0 H LEU A 55 -1.424 0.750 5.983 1.00 33.42 H new ATOM 0 HA LEU A 55 -1.814 3.449 4.791 1.00 52.25 H new ATOM 0 HB2 LEU A 55 -2.664 2.275 7.355 1.00 34.04 H new ATOM 0 HB3 LEU A 55 -1.699 3.720 7.578 1.00 34.04 H new ATOM 0 HG LEU A 55 -4.106 4.261 7.511 1.00 53.20 H new ATOM 0 HD11 LEU A 55 -4.048 6.046 5.785 1.00 41.24 H new ATOM 0 HD12 LEU A 55 -2.525 5.965 6.703 1.00 41.24 H new ATOM 0 HD13 LEU A 55 -2.610 5.289 5.058 1.00 41.24 H new ATOM 0 HD21 LEU A 55 -5.446 3.977 5.452 1.00 0.42 H new ATOM 0 HD22 LEU A 55 -4.094 3.100 4.697 1.00 0.42 H new ATOM 0 HD23 LEU A 55 -4.914 2.415 6.119 1.00 0.42 H new ATOM 798 N CYS A 56 0.537 4.135 5.191 1.00 73.53 N ATOM 799 CA CYS A 56 1.897 4.611 5.406 1.00 11.31 C ATOM 800 C CYS A 56 1.973 5.297 6.778 1.00 30.33 C ATOM 801 O CYS A 56 1.723 6.492 6.907 1.00 22.52 O ATOM 802 CB CYS A 56 2.320 5.549 4.266 1.00 42.41 C ATOM 803 SG CYS A 56 4.069 6.045 4.314 1.00 64.14 S ATOM 0 H CYS A 56 0.018 4.677 4.501 1.00 73.53 H new ATOM 0 HA CYS A 56 2.595 3.773 5.402 1.00 11.31 H new ATOM 0 HB2 CYS A 56 2.120 5.058 3.314 1.00 42.41 H new ATOM 0 HB3 CYS A 56 1.700 6.445 4.299 1.00 42.41 H new ATOM 808 N ASP A 57 2.225 4.470 7.794 1.00 33.04 N ATOM 809 CA ASP A 57 2.257 4.853 9.214 1.00 45.14 C ATOM 810 C ASP A 57 3.366 5.902 9.496 1.00 1.40 C ATOM 811 O ASP A 57 4.508 5.552 9.811 1.00 35.22 O ATOM 812 CB ASP A 57 2.434 3.559 10.067 1.00 70.40 C ATOM 813 CG ASP A 57 2.368 3.790 11.589 1.00 65.42 C ATOM 814 OD1 ASP A 57 1.244 3.881 12.137 1.00 43.45 O ATOM 815 OD2 ASP A 57 3.429 3.897 12.241 1.00 41.42 O ATOM 0 H ASP A 57 2.420 3.479 7.650 1.00 33.04 H new ATOM 0 HA ASP A 57 1.319 5.335 9.490 1.00 45.14 H new ATOM 0 HB2 ASP A 57 1.661 2.844 9.786 1.00 70.40 H new ATOM 0 HB3 ASP A 57 3.394 3.104 9.821 1.00 70.40 H new ATOM 820 N GLY A 58 3.027 7.187 9.282 1.00 72.53 N ATOM 821 CA GLY A 58 3.918 8.306 9.583 1.00 33.13 C ATOM 822 C GLY A 58 3.638 9.536 8.723 1.00 62.30 C ATOM 823 O GLY A 58 3.891 10.669 9.154 1.00 50.53 O ATOM 0 H GLY A 58 2.127 7.471 8.896 1.00 72.53 H new ATOM 0 HA2 GLY A 58 3.815 8.573 10.635 1.00 33.13 H new ATOM 0 HA3 GLY A 58 4.951 7.992 9.434 1.00 33.13 H new ATOM 827 N CYS A 59 3.131 9.314 7.492 1.00 55.22 N ATOM 828 CA CYS A 59 2.783 10.394 6.540 1.00 74.33 C ATOM 829 C CYS A 59 1.337 10.234 6.005 1.00 1.20 C ATOM 830 O CYS A 59 0.816 11.127 5.325 1.00 34.01 O ATOM 831 CB CYS A 59 3.821 10.414 5.403 1.00 13.22 C ATOM 832 SG CYS A 59 4.207 8.771 4.738 1.00 71.14 S ATOM 0 H CYS A 59 2.950 8.379 7.128 1.00 55.22 H new ATOM 0 HA CYS A 59 2.811 11.354 7.056 1.00 74.33 H new ATOM 0 HB2 CYS A 59 3.450 11.045 4.595 1.00 13.22 H new ATOM 0 HB3 CYS A 59 4.739 10.873 5.770 1.00 13.22 H new ATOM 837 N ASP A 60 0.712 9.082 6.334 1.00 2.24 N ATOM 838 CA ASP A 60 -0.699 8.750 6.022 1.00 50.32 C ATOM 839 C ASP A 60 -0.964 8.727 4.508 1.00 35.04 C ATOM 840 O ASP A 60 -1.528 9.671 3.936 1.00 12.22 O ATOM 841 CB ASP A 60 -1.695 9.688 6.773 1.00 25.01 C ATOM 842 CG ASP A 60 -1.581 9.563 8.297 1.00 72.24 C ATOM 843 OD1 ASP A 60 -0.745 10.262 8.906 1.00 54.41 O ATOM 844 OD2 ASP A 60 -2.303 8.738 8.893 1.00 70.42 O ATOM 0 H ASP A 60 1.188 8.334 6.839 1.00 2.24 H new ATOM 0 HA ASP A 60 -0.875 7.739 6.388 1.00 50.32 H new ATOM 0 HB2 ASP A 60 -1.507 10.721 6.481 1.00 25.01 H new ATOM 0 HB3 ASP A 60 -2.714 9.451 6.467 1.00 25.01 H new ATOM 849 N ASP A 61 -0.514 7.639 3.858 1.00 52.40 N ATOM 850 CA ASP A 61 -0.773 7.378 2.435 1.00 34.14 C ATOM 851 C ASP A 61 -1.502 6.032 2.322 1.00 73.10 C ATOM 852 O ASP A 61 -0.963 4.996 2.754 1.00 54.41 O ATOM 853 CB ASP A 61 0.541 7.332 1.620 1.00 52.21 C ATOM 854 CG ASP A 61 1.450 8.560 1.811 1.00 54.14 C ATOM 855 OD1 ASP A 61 1.134 9.633 1.285 1.00 33.22 O ATOM 856 OD2 ASP A 61 2.486 8.438 2.489 1.00 65.43 O ATOM 0 H ASP A 61 0.043 6.913 4.310 1.00 52.40 H new ATOM 0 HA ASP A 61 -1.382 8.185 2.028 1.00 34.14 H new ATOM 0 HB2 ASP A 61 1.097 6.437 1.899 1.00 52.21 H new ATOM 0 HB3 ASP A 61 0.295 7.238 0.562 1.00 52.21 H new ATOM 861 N SER A 62 -2.718 6.046 1.760 1.00 72.34 N ATOM 862 CA SER A 62 -3.558 4.852 1.636 1.00 54.12 C ATOM 863 C SER A 62 -3.339 4.191 0.257 1.00 31.13 C ATOM 864 O SER A 62 -3.464 4.846 -0.779 1.00 3.24 O ATOM 865 CB SER A 62 -5.031 5.253 1.854 1.00 73.52 C ATOM 866 OG SER A 62 -5.207 5.909 3.115 1.00 31.43 O ATOM 0 H SER A 62 -3.146 6.889 1.378 1.00 72.34 H new ATOM 0 HA SER A 62 -3.285 4.117 2.393 1.00 54.12 H new ATOM 0 HB2 SER A 62 -5.354 5.913 1.049 1.00 73.52 H new ATOM 0 HB3 SER A 62 -5.663 4.366 1.811 1.00 73.52 H new ATOM 0 HG SER A 62 -5.556 6.813 2.968 1.00 31.43 H new ATOM 872 N TYR A 63 -2.956 2.905 0.273 1.00 41.02 N ATOM 873 CA TYR A 63 -2.696 2.089 -0.933 1.00 53.03 C ATOM 874 C TYR A 63 -3.241 0.679 -0.730 1.00 15.44 C ATOM 875 O TYR A 63 -3.477 0.286 0.388 1.00 33.14 O ATOM 876 CB TYR A 63 -1.172 1.998 -1.218 1.00 31.13 C ATOM 877 CG TYR A 63 -0.521 3.309 -1.676 1.00 71.24 C ATOM 878 CD1 TYR A 63 -0.583 3.701 -3.009 1.00 32.00 C ATOM 879 CD2 TYR A 63 0.168 4.140 -0.792 1.00 52.11 C ATOM 880 CE1 TYR A 63 0.002 4.875 -3.441 1.00 35.24 C ATOM 881 CE2 TYR A 63 0.752 5.314 -1.218 1.00 21.34 C ATOM 882 CZ TYR A 63 0.675 5.677 -2.544 1.00 72.15 C ATOM 883 OH TYR A 63 1.253 6.852 -2.970 1.00 4.24 O ATOM 0 H TYR A 63 -2.814 2.388 1.141 1.00 41.02 H new ATOM 0 HA TYR A 63 -3.191 2.566 -1.779 1.00 53.03 H new ATOM 0 HB2 TYR A 63 -0.668 1.655 -0.314 1.00 31.13 H new ATOM 0 HB3 TYR A 63 -1.005 1.240 -1.983 1.00 31.13 H new ATOM 0 HD1 TYR A 63 -1.099 3.074 -3.721 1.00 32.00 H new ATOM 0 HD2 TYR A 63 0.245 3.858 0.248 1.00 52.11 H new ATOM 0 HE1 TYR A 63 -0.068 5.164 -4.479 1.00 35.24 H new ATOM 0 HE2 TYR A 63 1.269 5.948 -0.513 1.00 21.34 H new ATOM 0 HH TYR A 63 0.594 7.378 -3.470 1.00 4.24 H new ATOM 893 N HIS A 64 -3.438 -0.080 -1.814 1.00 71.22 N ATOM 894 CA HIS A 64 -3.742 -1.535 -1.723 1.00 43.30 C ATOM 895 C HIS A 64 -2.454 -2.335 -1.929 1.00 71.23 C ATOM 896 O HIS A 64 -1.534 -1.847 -2.582 1.00 24.24 O ATOM 897 CB HIS A 64 -4.770 -1.982 -2.785 1.00 12.41 C ATOM 898 CG HIS A 64 -6.136 -1.376 -2.654 1.00 45.21 C ATOM 899 ND1 HIS A 64 -6.731 -0.697 -3.684 1.00 14.55 N ATOM 900 CD2 HIS A 64 -6.999 -1.450 -1.629 1.00 32.41 C ATOM 901 CE1 HIS A 64 -7.945 -0.397 -3.257 1.00 2.51 C ATOM 902 NE2 HIS A 64 -8.149 -0.823 -2.024 1.00 55.43 N ATOM 0 H HIS A 64 -3.395 0.277 -2.768 1.00 71.22 H new ATOM 0 HA HIS A 64 -4.167 -1.719 -0.736 1.00 43.30 H new ATOM 0 HB2 HIS A 64 -4.376 -1.739 -3.772 1.00 12.41 H new ATOM 0 HB3 HIS A 64 -4.866 -3.067 -2.739 1.00 12.41 H new ATOM 0 HD2 HIS A 64 -6.819 -1.917 -0.672 1.00 32.41 H new ATOM 0 HE1 HIS A 64 -8.681 0.132 -3.845 1.00 2.51 H new ATOM 0 HE2 HIS A 64 -8.999 -0.707 -1.473 1.00 55.43 H new ATOM 910 N THR A 65 -2.428 -3.576 -1.404 1.00 24.14 N ATOM 911 CA THR A 65 -1.321 -4.544 -1.617 1.00 4.45 C ATOM 912 C THR A 65 -1.045 -4.754 -3.126 1.00 61.21 C ATOM 913 O THR A 65 0.098 -4.660 -3.587 1.00 13.54 O ATOM 914 CB THR A 65 -1.670 -5.921 -0.952 1.00 25.23 C ATOM 915 OG1 THR A 65 -2.959 -6.372 -1.409 1.00 12.04 O ATOM 916 CG2 THR A 65 -1.675 -5.847 0.587 1.00 42.34 C ATOM 0 H THR A 65 -3.177 -3.942 -0.816 1.00 24.14 H new ATOM 0 HA THR A 65 -0.424 -4.133 -1.154 1.00 4.45 H new ATOM 0 HB THR A 65 -0.893 -6.626 -1.248 1.00 25.23 H new ATOM 0 HG1 THR A 65 -3.171 -7.233 -0.992 1.00 12.04 H new ATOM 0 HG21 THR A 65 -1.922 -6.826 0.998 1.00 42.34 H new ATOM 0 HG22 THR A 65 -0.689 -5.544 0.940 1.00 42.34 H new ATOM 0 HG23 THR A 65 -2.417 -5.119 0.914 1.00 42.34 H new ATOM 924 N PHE A 66 -2.132 -4.990 -3.878 1.00 62.42 N ATOM 925 CA PHE A 66 -2.079 -5.299 -5.319 1.00 13.32 C ATOM 926 C PHE A 66 -1.858 -4.038 -6.193 1.00 25.15 C ATOM 927 O PHE A 66 -1.498 -4.166 -7.369 1.00 71.43 O ATOM 928 CB PHE A 66 -3.371 -6.061 -5.761 1.00 73.35 C ATOM 929 CG PHE A 66 -4.704 -5.336 -5.495 1.00 43.32 C ATOM 930 CD1 PHE A 66 -5.260 -4.466 -6.444 1.00 74.31 C ATOM 931 CD2 PHE A 66 -5.409 -5.548 -4.306 1.00 63.01 C ATOM 932 CE1 PHE A 66 -6.465 -3.833 -6.208 1.00 1.33 C ATOM 933 CE2 PHE A 66 -6.617 -4.915 -4.075 1.00 35.23 C ATOM 934 CZ PHE A 66 -7.144 -4.059 -5.026 1.00 60.13 C ATOM 0 H PHE A 66 -3.080 -4.972 -3.502 1.00 62.42 H new ATOM 0 HA PHE A 66 -1.214 -5.943 -5.476 1.00 13.32 H new ATOM 0 HB2 PHE A 66 -3.300 -6.269 -6.829 1.00 73.35 H new ATOM 0 HB3 PHE A 66 -3.395 -7.023 -5.250 1.00 73.35 H new ATOM 0 HD1 PHE A 66 -4.739 -4.288 -7.373 1.00 74.31 H new ATOM 0 HD2 PHE A 66 -5.005 -6.215 -3.558 1.00 63.01 H new ATOM 0 HE1 PHE A 66 -6.876 -3.162 -6.947 1.00 1.33 H new ATOM 0 HE2 PHE A 66 -7.149 -5.089 -3.152 1.00 35.23 H new ATOM 0 HZ PHE A 66 -8.088 -3.567 -4.844 1.00 60.13 H new ATOM 944 N CYS A 67 -2.111 -2.829 -5.628 1.00 50.15 N ATOM 945 CA CYS A 67 -1.912 -1.541 -6.345 1.00 14.21 C ATOM 946 C CYS A 67 -0.425 -1.161 -6.440 1.00 43.40 C ATOM 947 O CYS A 67 0.006 -0.560 -7.441 1.00 12.31 O ATOM 948 CB CYS A 67 -2.704 -0.405 -5.657 1.00 24.21 C ATOM 949 SG CYS A 67 -4.503 -0.614 -5.785 1.00 74.32 S ATOM 0 H CYS A 67 -2.455 -2.719 -4.674 1.00 50.15 H new ATOM 0 HA CYS A 67 -2.288 -1.677 -7.359 1.00 14.21 H new ATOM 0 HB2 CYS A 67 -2.423 -0.360 -4.605 1.00 24.21 H new ATOM 0 HB3 CYS A 67 -2.422 0.549 -6.103 1.00 24.21 H new ATOM 0 HG CYS A 67 -5.077 0.552 -5.773 1.00 74.32 H new ATOM 954 N LEU A 68 0.346 -1.541 -5.413 1.00 71.04 N ATOM 955 CA LEU A 68 1.773 -1.176 -5.272 1.00 74.35 C ATOM 956 C LEU A 68 2.675 -1.908 -6.282 1.00 61.43 C ATOM 957 O LEU A 68 2.339 -2.993 -6.754 1.00 60.31 O ATOM 958 CB LEU A 68 2.221 -1.511 -3.828 1.00 34.42 C ATOM 959 CG LEU A 68 1.529 -0.667 -2.708 1.00 23.32 C ATOM 960 CD1 LEU A 68 1.543 -1.405 -1.356 1.00 40.54 C ATOM 961 CD2 LEU A 68 2.157 0.747 -2.598 1.00 73.42 C ATOM 0 H LEU A 68 -0.001 -2.116 -4.646 1.00 71.04 H new ATOM 0 HA LEU A 68 1.874 -0.110 -5.478 1.00 74.35 H new ATOM 0 HB2 LEU A 68 2.026 -2.567 -3.639 1.00 34.42 H new ATOM 0 HB3 LEU A 68 3.299 -1.368 -3.756 1.00 34.42 H new ATOM 0 HG LEU A 68 0.485 -0.536 -2.991 1.00 23.32 H new ATOM 0 HD11 LEU A 68 1.054 -0.790 -0.601 1.00 40.54 H new ATOM 0 HD12 LEU A 68 1.011 -2.352 -1.453 1.00 40.54 H new ATOM 0 HD13 LEU A 68 2.573 -1.596 -1.057 1.00 40.54 H new ATOM 0 HD21 LEU A 68 1.654 1.308 -1.811 1.00 73.42 H new ATOM 0 HD22 LEU A 68 3.217 0.657 -2.359 1.00 73.42 H new ATOM 0 HD23 LEU A 68 2.042 1.271 -3.547 1.00 73.42 H new ATOM 973 N LEU A 69 3.789 -1.253 -6.648 1.00 61.30 N ATOM 974 CA LEU A 69 4.905 -1.871 -7.388 1.00 3.23 C ATOM 975 C LEU A 69 6.171 -1.795 -6.488 1.00 21.31 C ATOM 976 O LEU A 69 6.644 -0.684 -6.214 1.00 22.12 O ATOM 977 CB LEU A 69 5.169 -1.169 -8.763 1.00 42.54 C ATOM 978 CG LEU A 69 4.077 -1.344 -9.882 1.00 44.32 C ATOM 979 CD1 LEU A 69 2.805 -0.513 -9.596 1.00 61.43 C ATOM 980 CD2 LEU A 69 4.650 -1.011 -11.278 1.00 75.14 C ATOM 0 H LEU A 69 3.943 -0.267 -6.436 1.00 61.30 H new ATOM 0 HA LEU A 69 4.650 -2.906 -7.617 1.00 3.23 H new ATOM 0 HB2 LEU A 69 5.296 -0.102 -8.579 1.00 42.54 H new ATOM 0 HB3 LEU A 69 6.116 -1.539 -9.155 1.00 42.54 H new ATOM 0 HG LEU A 69 3.783 -2.394 -9.873 1.00 44.32 H new ATOM 0 HD11 LEU A 69 2.082 -0.668 -10.397 1.00 61.43 H new ATOM 0 HD12 LEU A 69 2.370 -0.829 -8.648 1.00 61.43 H new ATOM 0 HD13 LEU A 69 3.066 0.544 -9.542 1.00 61.43 H new ATOM 0 HD21 LEU A 69 3.873 -1.141 -12.031 1.00 75.14 H new ATOM 0 HD22 LEU A 69 4.999 0.022 -11.291 1.00 75.14 H new ATOM 0 HD23 LEU A 69 5.483 -1.678 -11.498 1.00 75.14 H new ATOM 992 N PRO A 70 6.734 -2.949 -5.973 1.00 13.33 N ATOM 993 CA PRO A 70 6.215 -4.328 -6.197 1.00 41.01 C ATOM 994 C PRO A 70 4.950 -4.640 -5.349 1.00 2.34 C ATOM 995 O PRO A 70 4.825 -4.136 -4.220 1.00 41.50 O ATOM 996 CB PRO A 70 7.413 -5.223 -5.775 1.00 2.12 C ATOM 997 CG PRO A 70 8.119 -4.426 -4.714 1.00 42.21 C ATOM 998 CD PRO A 70 7.960 -2.965 -5.119 1.00 25.52 C ATOM 0 HA PRO A 70 5.890 -4.486 -7.225 1.00 41.01 H new ATOM 0 HB2 PRO A 70 7.074 -6.185 -5.390 1.00 2.12 H new ATOM 0 HB3 PRO A 70 8.070 -5.431 -6.619 1.00 2.12 H new ATOM 0 HG2 PRO A 70 7.683 -4.609 -3.732 1.00 42.21 H new ATOM 0 HG3 PRO A 70 9.172 -4.703 -4.652 1.00 42.21 H new ATOM 0 HD2 PRO A 70 7.846 -2.321 -4.247 1.00 25.52 H new ATOM 0 HD3 PRO A 70 8.831 -2.607 -5.668 1.00 25.52 H new ATOM 1006 N PRO A 71 3.973 -5.435 -5.901 1.00 54.45 N ATOM 1007 CA PRO A 71 2.760 -5.833 -5.154 1.00 63.31 C ATOM 1008 C PRO A 71 3.103 -6.760 -3.978 1.00 11.30 C ATOM 1009 O PRO A 71 3.965 -7.642 -4.098 1.00 62.42 O ATOM 1010 CB PRO A 71 1.877 -6.556 -6.217 1.00 73.23 C ATOM 1011 CG PRO A 71 2.483 -6.198 -7.545 1.00 32.30 C ATOM 1012 CD PRO A 71 3.959 -5.997 -7.277 1.00 11.14 C ATOM 0 HA PRO A 71 2.250 -4.981 -4.704 1.00 63.31 H new ATOM 0 HB2 PRO A 71 1.879 -7.635 -6.062 1.00 73.23 H new ATOM 0 HB3 PRO A 71 0.840 -6.227 -6.156 1.00 73.23 H new ATOM 0 HG2 PRO A 71 2.322 -6.990 -8.276 1.00 32.30 H new ATOM 0 HG3 PRO A 71 2.031 -5.293 -7.951 1.00 32.30 H new ATOM 0 HD2 PRO A 71 4.512 -6.935 -7.336 1.00 11.14 H new ATOM 0 HD3 PRO A 71 4.411 -5.315 -7.997 1.00 11.14 H new ATOM 1020 N LEU A 72 2.443 -6.531 -2.842 1.00 41.43 N ATOM 1021 CA LEU A 72 2.643 -7.336 -1.635 1.00 74.40 C ATOM 1022 C LEU A 72 1.641 -8.498 -1.619 1.00 1.20 C ATOM 1023 O LEU A 72 0.447 -8.296 -1.859 1.00 74.30 O ATOM 1024 CB LEU A 72 2.526 -6.437 -0.371 1.00 55.22 C ATOM 1025 CG LEU A 72 3.515 -5.219 -0.325 1.00 42.41 C ATOM 1026 CD1 LEU A 72 3.419 -4.454 1.007 1.00 50.23 C ATOM 1027 CD2 LEU A 72 4.969 -5.657 -0.602 1.00 72.23 C ATOM 0 H LEU A 72 1.757 -5.785 -2.732 1.00 41.43 H new ATOM 0 HA LEU A 72 3.645 -7.765 -1.634 1.00 74.40 H new ATOM 0 HB2 LEU A 72 1.506 -6.059 -0.306 1.00 55.22 H new ATOM 0 HB3 LEU A 72 2.694 -7.054 0.511 1.00 55.22 H new ATOM 0 HG LEU A 72 3.213 -4.538 -1.120 1.00 42.41 H new ATOM 0 HD11 LEU A 72 4.119 -3.619 0.998 1.00 50.23 H new ATOM 0 HD12 LEU A 72 2.405 -4.076 1.137 1.00 50.23 H new ATOM 0 HD13 LEU A 72 3.665 -5.125 1.830 1.00 50.23 H new ATOM 0 HD21 LEU A 72 5.625 -4.787 -0.562 1.00 72.23 H new ATOM 0 HD22 LEU A 72 5.280 -6.381 0.151 1.00 72.23 H new ATOM 0 HD23 LEU A 72 5.030 -6.112 -1.591 1.00 72.23 H new ATOM 1039 N THR A 73 2.147 -9.720 -1.368 1.00 35.20 N ATOM 1040 CA THR A 73 1.332 -10.957 -1.361 1.00 64.34 C ATOM 1041 C THR A 73 0.466 -11.050 -0.082 1.00 25.23 C ATOM 1042 O THR A 73 -0.502 -11.818 -0.021 1.00 42.42 O ATOM 1043 CB THR A 73 2.248 -12.230 -1.500 1.00 73.32 C ATOM 1044 OG1 THR A 73 1.448 -13.413 -1.662 1.00 4.43 O ATOM 1045 CG2 THR A 73 3.191 -12.414 -0.297 1.00 10.10 C ATOM 0 H THR A 73 3.133 -9.881 -1.164 1.00 35.20 H new ATOM 0 HA THR A 73 0.662 -10.918 -2.220 1.00 64.34 H new ATOM 0 HB THR A 73 2.863 -12.073 -2.386 1.00 73.32 H new ATOM 0 HG1 THR A 73 2.033 -14.194 -1.748 1.00 4.43 H new ATOM 0 HG21 THR A 73 3.800 -13.306 -0.445 1.00 10.10 H new ATOM 0 HG22 THR A 73 3.840 -11.543 -0.207 1.00 10.10 H new ATOM 0 HG23 THR A 73 2.602 -12.523 0.614 1.00 10.10 H new ATOM 1053 N SER A 74 0.803 -10.216 0.910 1.00 70.10 N ATOM 1054 CA SER A 74 0.187 -10.221 2.238 1.00 14.23 C ATOM 1055 C SER A 74 0.223 -8.807 2.852 1.00 51.21 C ATOM 1056 O SER A 74 1.000 -7.944 2.415 1.00 74.02 O ATOM 1057 CB SER A 74 0.929 -11.248 3.132 1.00 55.33 C ATOM 1058 OG SER A 74 2.338 -11.021 3.137 1.00 53.13 O ATOM 0 H SER A 74 1.527 -9.505 0.807 1.00 70.10 H new ATOM 0 HA SER A 74 -0.860 -10.514 2.161 1.00 14.23 H new ATOM 0 HB2 SER A 74 0.547 -11.187 4.151 1.00 55.33 H new ATOM 0 HB3 SER A 74 0.724 -12.257 2.775 1.00 55.33 H new ATOM 0 HG SER A 74 2.774 -11.685 3.711 1.00 53.13 H new ATOM 1064 N ILE A 75 -0.640 -8.586 3.853 1.00 12.23 N ATOM 1065 CA ILE A 75 -0.700 -7.337 4.625 1.00 1.01 C ATOM 1066 C ILE A 75 0.397 -7.366 5.723 1.00 22.33 C ATOM 1067 O ILE A 75 0.365 -8.255 6.587 1.00 73.12 O ATOM 1068 CB ILE A 75 -2.132 -7.145 5.268 1.00 72.31 C ATOM 1069 CG1 ILE A 75 -3.224 -7.052 4.148 1.00 25.13 C ATOM 1070 CG2 ILE A 75 -2.176 -5.911 6.216 1.00 35.34 C ATOM 1071 CD1 ILE A 75 -4.652 -6.929 4.657 1.00 60.01 C ATOM 0 H ILE A 75 -1.325 -9.279 4.153 1.00 12.23 H new ATOM 0 HA ILE A 75 -0.521 -6.492 3.960 1.00 1.01 H new ATOM 0 HB ILE A 75 -2.348 -8.020 5.881 1.00 72.31 H new ATOM 0 HG12 ILE A 75 -3.003 -6.192 3.516 1.00 25.13 H new ATOM 0 HG13 ILE A 75 -3.153 -7.938 3.517 1.00 25.13 H new ATOM 0 HG21 ILE A 75 -3.176 -5.812 6.638 1.00 35.34 H new ATOM 0 HG22 ILE A 75 -1.454 -6.045 7.021 1.00 35.34 H new ATOM 0 HG23 ILE A 75 -1.929 -5.011 5.653 1.00 35.34 H new ATOM 0 HD11 ILE A 75 -5.336 -6.871 3.811 1.00 60.01 H new ATOM 0 HD12 ILE A 75 -4.898 -7.800 5.264 1.00 60.01 H new ATOM 0 HD13 ILE A 75 -4.746 -6.027 5.262 1.00 60.01 H new ATOM 1083 N PRO A 76 1.403 -6.421 5.684 1.00 15.22 N ATOM 1084 CA PRO A 76 2.464 -6.323 6.720 1.00 52.14 C ATOM 1085 C PRO A 76 1.971 -5.561 7.981 1.00 1.15 C ATOM 1086 O PRO A 76 2.511 -4.501 8.340 1.00 22.20 O ATOM 1087 CB PRO A 76 3.591 -5.570 5.966 1.00 13.23 C ATOM 1088 CG PRO A 76 2.861 -4.655 5.021 1.00 34.52 C ATOM 1089 CD PRO A 76 1.601 -5.401 4.610 1.00 33.44 C ATOM 0 HA PRO A 76 2.787 -7.287 7.114 1.00 52.14 H new ATOM 0 HB2 PRO A 76 4.223 -5.009 6.654 1.00 13.23 H new ATOM 0 HB3 PRO A 76 4.240 -6.261 5.428 1.00 13.23 H new ATOM 0 HG2 PRO A 76 2.615 -3.709 5.504 1.00 34.52 H new ATOM 0 HG3 PRO A 76 3.476 -4.419 4.153 1.00 34.52 H new ATOM 0 HD2 PRO A 76 0.746 -4.728 4.539 1.00 33.44 H new ATOM 0 HD3 PRO A 76 1.718 -5.871 3.633 1.00 33.44 H new ATOM 1097 N LYS A 77 0.893 -6.101 8.602 1.00 41.50 N ATOM 1098 CA LYS A 77 0.252 -5.586 9.842 1.00 41.10 C ATOM 1099 C LYS A 77 -0.561 -4.284 9.631 1.00 63.31 C ATOM 1100 O LYS A 77 -1.537 -4.046 10.346 1.00 31.13 O ATOM 1101 CB LYS A 77 1.292 -5.409 10.995 1.00 74.25 C ATOM 1102 CG LYS A 77 0.689 -5.056 12.375 1.00 53.52 C ATOM 1103 CD LYS A 77 1.749 -4.914 13.488 1.00 64.15 C ATOM 1104 CE LYS A 77 1.128 -4.649 14.872 1.00 73.33 C ATOM 1105 NZ LYS A 77 0.194 -5.736 15.285 1.00 10.04 N ATOM 0 H LYS A 77 0.429 -6.935 8.243 1.00 41.50 H new ATOM 0 HA LYS A 77 -0.468 -6.351 10.134 1.00 41.10 H new ATOM 0 HB2 LYS A 77 1.865 -6.331 11.091 1.00 74.25 H new ATOM 0 HB3 LYS A 77 1.995 -4.626 10.712 1.00 74.25 H new ATOM 0 HG2 LYS A 77 0.132 -4.122 12.292 1.00 53.52 H new ATOM 0 HG3 LYS A 77 -0.025 -5.829 12.660 1.00 53.52 H new ATOM 0 HD2 LYS A 77 2.348 -5.824 13.532 1.00 64.15 H new ATOM 0 HD3 LYS A 77 2.427 -4.098 13.236 1.00 64.15 H new ATOM 0 HE2 LYS A 77 1.922 -4.553 15.613 1.00 73.33 H new ATOM 0 HE3 LYS A 77 0.593 -3.700 14.853 1.00 73.33 H new ATOM 0 HZ1 LYS A 77 -0.043 -5.627 16.292 1.00 10.04 H new ATOM 0 HZ2 LYS A 77 -0.676 -5.681 14.717 1.00 10.04 H new ATOM 0 HZ3 LYS A 77 0.648 -6.660 15.134 1.00 10.04 H new ATOM 1119 N GLY A 78 -0.178 -3.452 8.649 1.00 73.24 N ATOM 1120 CA GLY A 78 -0.724 -2.101 8.503 1.00 34.21 C ATOM 1121 C GLY A 78 0.293 -1.044 8.922 1.00 42.31 C ATOM 1122 O GLY A 78 0.274 0.072 8.402 1.00 72.43 O ATOM 0 H GLY A 78 0.514 -3.698 7.941 1.00 73.24 H new ATOM 0 HA2 GLY A 78 -1.018 -1.935 7.467 1.00 34.21 H new ATOM 0 HA3 GLY A 78 -1.624 -2.003 9.109 1.00 34.21 H new ATOM 1126 N GLU A 79 1.172 -1.406 9.888 1.00 40.12 N ATOM 1127 CA GLU A 79 2.343 -0.595 10.263 1.00 34.34 C ATOM 1128 C GLU A 79 3.398 -0.759 9.149 1.00 0.33 C ATOM 1129 O GLU A 79 4.209 -1.698 9.158 1.00 2.35 O ATOM 1130 CB GLU A 79 2.918 -1.025 11.645 1.00 53.12 C ATOM 1131 CG GLU A 79 4.118 -0.161 12.120 1.00 34.34 C ATOM 1132 CD GLU A 79 4.831 -0.726 13.356 1.00 61.01 C ATOM 1133 OE1 GLU A 79 5.617 -1.682 13.208 1.00 54.54 O ATOM 1134 OE2 GLU A 79 4.592 -0.240 14.480 1.00 15.43 O ATOM 0 H GLU A 79 1.084 -2.269 10.425 1.00 40.12 H new ATOM 0 HA GLU A 79 2.054 0.451 10.363 1.00 34.34 H new ATOM 0 HB2 GLU A 79 2.125 -0.971 12.391 1.00 53.12 H new ATOM 0 HB3 GLU A 79 3.232 -2.067 11.589 1.00 53.12 H new ATOM 0 HG2 GLU A 79 4.837 -0.073 11.305 1.00 34.34 H new ATOM 0 HG3 GLU A 79 3.764 0.846 12.343 1.00 34.34 H new ATOM 1141 N TRP A 80 3.299 0.113 8.156 1.00 3.34 N ATOM 1142 CA TRP A 80 4.019 0.000 6.881 1.00 15.41 C ATOM 1143 C TRP A 80 4.383 1.399 6.365 1.00 20.33 C ATOM 1144 O TRP A 80 3.743 2.378 6.734 1.00 13.13 O ATOM 1145 CB TRP A 80 3.091 -0.784 5.904 1.00 12.13 C ATOM 1146 CG TRP A 80 3.455 -0.743 4.446 1.00 62.40 C ATOM 1147 CD1 TRP A 80 4.388 -1.497 3.789 1.00 24.11 C ATOM 1148 CD2 TRP A 80 2.861 0.108 3.463 1.00 73.33 C ATOM 1149 NE1 TRP A 80 4.389 -1.175 2.459 1.00 72.43 N ATOM 1150 CE2 TRP A 80 3.469 -0.181 2.239 1.00 64.51 C ATOM 1151 CE3 TRP A 80 1.874 1.094 3.520 1.00 52.11 C ATOM 1152 CZ2 TRP A 80 3.107 0.467 1.067 1.00 22.15 C ATOM 1153 CZ3 TRP A 80 1.516 1.749 2.361 1.00 61.14 C ATOM 1154 CH2 TRP A 80 2.133 1.433 1.147 1.00 4.22 C ATOM 0 H TRP A 80 2.704 0.940 8.209 1.00 3.34 H new ATOM 0 HA TRP A 80 4.961 -0.539 6.986 1.00 15.41 H new ATOM 0 HB2 TRP A 80 3.069 -1.827 6.220 1.00 12.13 H new ATOM 0 HB3 TRP A 80 2.078 -0.396 6.013 1.00 12.13 H new ATOM 0 HD1 TRP A 80 5.027 -2.235 4.250 1.00 24.11 H new ATOM 0 HE1 TRP A 80 4.979 -1.605 1.746 1.00 72.43 H new ATOM 0 HE3 TRP A 80 1.398 1.340 4.458 1.00 52.11 H new ATOM 0 HZ2 TRP A 80 3.574 0.221 0.125 1.00 22.15 H new ATOM 0 HZ3 TRP A 80 0.753 2.512 2.391 1.00 61.14 H new ATOM 0 HH2 TRP A 80 1.837 1.960 0.252 1.00 4.22 H new ATOM 1165 N LEU A 81 5.439 1.488 5.542 1.00 12.53 N ATOM 1166 CA LEU A 81 5.864 2.744 4.894 1.00 22.22 C ATOM 1167 C LEU A 81 5.814 2.574 3.371 1.00 32.53 C ATOM 1168 O LEU A 81 6.334 1.586 2.836 1.00 1.34 O ATOM 1169 CB LEU A 81 7.288 3.148 5.365 1.00 71.31 C ATOM 1170 CG LEU A 81 7.433 3.457 6.894 1.00 43.22 C ATOM 1171 CD1 LEU A 81 8.895 3.766 7.277 1.00 72.30 C ATOM 1172 CD2 LEU A 81 6.491 4.609 7.321 1.00 74.03 C ATOM 0 H LEU A 81 6.026 0.689 5.304 1.00 12.53 H new ATOM 0 HA LEU A 81 5.183 3.546 5.181 1.00 22.22 H new ATOM 0 HB2 LEU A 81 7.978 2.344 5.108 1.00 71.31 H new ATOM 0 HB3 LEU A 81 7.601 4.028 4.803 1.00 71.31 H new ATOM 0 HG LEU A 81 7.137 2.559 7.437 1.00 43.22 H new ATOM 0 HD11 LEU A 81 8.955 3.975 8.345 1.00 72.30 H new ATOM 0 HD12 LEU A 81 9.523 2.907 7.040 1.00 72.30 H new ATOM 0 HD13 LEU A 81 9.242 4.635 6.717 1.00 72.30 H new ATOM 0 HD21 LEU A 81 6.612 4.802 8.387 1.00 74.03 H new ATOM 0 HD22 LEU A 81 6.739 5.509 6.758 1.00 74.03 H new ATOM 0 HD23 LEU A 81 5.457 4.328 7.119 1.00 74.03 H new ATOM 1184 N CYS A 82 5.166 3.537 2.691 1.00 2.23 N ATOM 1185 CA CYS A 82 5.021 3.549 1.228 1.00 43.24 C ATOM 1186 C CYS A 82 6.385 3.769 0.538 1.00 23.43 C ATOM 1187 O CYS A 82 7.194 4.546 1.052 1.00 32.34 O ATOM 1188 CB CYS A 82 3.996 4.636 0.805 1.00 22.11 C ATOM 1189 SG CYS A 82 4.332 6.302 1.453 1.00 12.15 S ATOM 0 H CYS A 82 4.725 4.335 3.148 1.00 2.23 H new ATOM 0 HA CYS A 82 4.646 2.577 0.907 1.00 43.24 H new ATOM 0 HB2 CYS A 82 3.969 4.684 -0.284 1.00 22.11 H new ATOM 0 HB3 CYS A 82 3.004 4.327 1.135 1.00 22.11 H new ATOM 1194 N PRO A 83 6.653 3.100 -0.645 1.00 23.12 N ATOM 1195 CA PRO A 83 7.949 3.223 -1.384 1.00 64.13 C ATOM 1196 C PRO A 83 8.338 4.686 -1.688 1.00 42.33 C ATOM 1197 O PRO A 83 9.524 5.026 -1.727 1.00 31.10 O ATOM 1198 CB PRO A 83 7.697 2.432 -2.692 1.00 25.03 C ATOM 1199 CG PRO A 83 6.609 1.454 -2.341 1.00 35.30 C ATOM 1200 CD PRO A 83 5.716 2.173 -1.349 1.00 20.13 C ATOM 0 HA PRO A 83 8.784 2.842 -0.796 1.00 64.13 H new ATOM 0 HB2 PRO A 83 7.389 3.093 -3.502 1.00 25.03 H new ATOM 0 HB3 PRO A 83 8.599 1.919 -3.025 1.00 25.03 H new ATOM 0 HG2 PRO A 83 6.049 1.156 -3.228 1.00 35.30 H new ATOM 0 HG3 PRO A 83 7.025 0.545 -1.906 1.00 35.30 H new ATOM 0 HD2 PRO A 83 4.915 2.716 -1.850 1.00 20.13 H new ATOM 0 HD3 PRO A 83 5.244 1.477 -0.656 1.00 20.13 H new ATOM 1208 N ARG A 84 7.314 5.541 -1.862 1.00 62.13 N ATOM 1209 CA ARG A 84 7.498 6.975 -2.127 1.00 63.45 C ATOM 1210 C ARG A 84 8.076 7.708 -0.894 1.00 73.30 C ATOM 1211 O ARG A 84 8.826 8.664 -1.048 1.00 12.23 O ATOM 1212 CB ARG A 84 6.156 7.633 -2.568 1.00 43.13 C ATOM 1213 CG ARG A 84 5.492 7.020 -3.829 1.00 65.04 C ATOM 1214 CD ARG A 84 6.444 6.931 -5.038 1.00 60.14 C ATOM 1215 NE ARG A 84 7.111 8.212 -5.349 1.00 53.10 N ATOM 1216 CZ ARG A 84 7.789 8.489 -6.476 1.00 2.32 C ATOM 1217 NH1 ARG A 84 7.917 7.592 -7.452 1.00 4.32 N ATOM 1218 NH2 ARG A 84 8.380 9.663 -6.594 1.00 34.12 N ATOM 0 H ARG A 84 6.336 5.255 -1.822 1.00 62.13 H new ATOM 0 HA ARG A 84 8.216 7.068 -2.941 1.00 63.45 H new ATOM 0 HB2 ARG A 84 5.451 7.568 -1.740 1.00 43.13 H new ATOM 0 HB3 ARG A 84 6.335 8.692 -2.752 1.00 43.13 H new ATOM 0 HG2 ARG A 84 5.126 6.022 -3.589 1.00 65.04 H new ATOM 0 HG3 ARG A 84 4.624 7.620 -4.102 1.00 65.04 H new ATOM 0 HD2 ARG A 84 7.202 6.173 -4.841 1.00 60.14 H new ATOM 0 HD3 ARG A 84 5.882 6.600 -5.911 1.00 60.14 H new ATOM 0 HE ARG A 84 7.052 8.950 -4.648 1.00 53.10 H new ATOM 0 HH11 ARG A 84 7.495 6.669 -7.354 1.00 4.32 H new ATOM 0 HH12 ARG A 84 8.437 7.828 -8.297 1.00 4.32 H new ATOM 0 HH21 ARG A 84 8.318 10.344 -5.837 1.00 34.12 H new ATOM 0 HH22 ARG A 84 8.899 9.890 -7.442 1.00 34.12 H new ATOM 1232 N CYS A 85 7.698 7.268 0.322 1.00 15.44 N ATOM 1233 CA CYS A 85 8.224 7.842 1.571 1.00 5.21 C ATOM 1234 C CYS A 85 9.555 7.183 1.990 1.00 32.52 C ATOM 1235 O CYS A 85 10.346 7.798 2.719 1.00 22.43 O ATOM 1236 CB CYS A 85 7.170 7.723 2.682 1.00 73.12 C ATOM 1237 SG CYS A 85 5.650 8.651 2.332 1.00 62.14 S ATOM 0 H CYS A 85 7.027 6.513 0.463 1.00 15.44 H new ATOM 0 HA CYS A 85 8.438 8.897 1.399 1.00 5.21 H new ATOM 0 HB2 CYS A 85 6.921 6.672 2.826 1.00 73.12 H new ATOM 0 HB3 CYS A 85 7.598 8.080 3.619 1.00 73.12 H new ATOM 0 HG CYS A 85 4.966 8.793 3.428 1.00 62.14 H new ATOM 1242 N VAL A 86 9.800 5.934 1.528 1.00 13.44 N ATOM 1243 CA VAL A 86 11.066 5.217 1.802 1.00 12.52 C ATOM 1244 C VAL A 86 12.232 5.880 1.036 1.00 74.02 C ATOM 1245 O VAL A 86 13.315 6.098 1.596 1.00 62.23 O ATOM 1246 CB VAL A 86 10.978 3.687 1.436 1.00 2.40 C ATOM 1247 CG1 VAL A 86 12.332 2.979 1.691 1.00 41.41 C ATOM 1248 CG2 VAL A 86 9.836 2.988 2.222 1.00 61.25 C ATOM 0 H VAL A 86 9.137 5.403 0.964 1.00 13.44 H new ATOM 0 HA VAL A 86 11.249 5.285 2.874 1.00 12.52 H new ATOM 0 HB VAL A 86 10.749 3.612 0.373 1.00 2.40 H new ATOM 0 HG11 VAL A 86 12.246 1.924 1.431 1.00 41.41 H new ATOM 0 HG12 VAL A 86 13.106 3.442 1.078 1.00 41.41 H new ATOM 0 HG13 VAL A 86 12.599 3.072 2.744 1.00 41.41 H new ATOM 0 HG21 VAL A 86 9.799 1.933 1.949 1.00 61.25 H new ATOM 0 HG22 VAL A 86 10.022 3.080 3.292 1.00 61.25 H new ATOM 0 HG23 VAL A 86 8.884 3.460 1.977 1.00 61.25 H new ATOM 1258 N VAL A 87 11.989 6.205 -0.245 1.00 4.51 N ATOM 1259 CA VAL A 87 12.931 7.003 -1.063 1.00 43.42 C ATOM 1260 C VAL A 87 12.830 8.500 -0.672 1.00 53.32 C ATOM 1261 O VAL A 87 13.771 9.273 -0.877 1.00 53.41 O ATOM 1262 CB VAL A 87 12.657 6.815 -2.609 1.00 60.04 C ATOM 1263 CG1 VAL A 87 13.700 7.564 -3.484 1.00 40.33 C ATOM 1264 CG2 VAL A 87 12.600 5.312 -2.989 1.00 40.42 C ATOM 0 H VAL A 87 11.143 5.927 -0.743 1.00 4.51 H new ATOM 0 HA VAL A 87 13.942 6.647 -0.863 1.00 43.42 H new ATOM 0 HB VAL A 87 11.683 7.259 -2.814 1.00 60.04 H new ATOM 0 HG11 VAL A 87 13.471 7.406 -4.538 1.00 40.33 H new ATOM 0 HG12 VAL A 87 13.664 8.630 -3.261 1.00 40.33 H new ATOM 0 HG13 VAL A 87 14.698 7.182 -3.268 1.00 40.33 H new ATOM 0 HG21 VAL A 87 12.410 5.214 -4.058 1.00 40.42 H new ATOM 0 HG22 VAL A 87 13.551 4.839 -2.744 1.00 40.42 H new ATOM 0 HG23 VAL A 87 11.799 4.826 -2.432 1.00 40.42 H new ATOM 1274 N GLU A 88 11.675 8.852 -0.063 1.00 73.34 N ATOM 1275 CA GLU A 88 11.271 10.194 0.334 1.00 33.22 C ATOM 1276 C GLU A 88 10.919 11.055 -0.897 1.00 24.44 C ATOM 1277 O GLU A 88 11.728 11.193 -1.828 1.00 1.01 O ATOM 1278 CB GLU A 88 12.297 10.914 1.241 1.00 42.43 C ATOM 1279 CG GLU A 88 11.718 12.166 1.902 1.00 32.20 C ATOM 1280 CD GLU A 88 12.773 13.043 2.585 1.00 3.12 C ATOM 1281 OE1 GLU A 88 13.333 13.940 1.918 1.00 44.32 O ATOM 1282 OE2 GLU A 88 13.077 12.818 3.777 1.00 14.32 O ATOM 0 H GLU A 88 10.967 8.156 0.172 1.00 73.34 H new ATOM 0 HA GLU A 88 10.376 10.066 0.942 1.00 33.22 H new ATOM 0 HB2 GLU A 88 12.641 10.225 2.013 1.00 42.43 H new ATOM 0 HB3 GLU A 88 13.170 11.190 0.649 1.00 42.43 H new ATOM 0 HG2 GLU A 88 11.199 12.758 1.148 1.00 32.20 H new ATOM 0 HG3 GLU A 88 10.974 11.866 2.640 1.00 32.20 H new ATOM 1289 N GLU A 89 9.688 11.605 -0.899 1.00 54.02 N ATOM 1290 CA GLU A 89 9.225 12.556 -1.920 1.00 11.52 C ATOM 1291 C GLU A 89 10.114 13.803 -1.902 1.00 53.40 C ATOM 1292 O GLU A 89 10.329 14.391 -0.830 1.00 1.23 O ATOM 1293 CB GLU A 89 7.737 12.940 -1.657 1.00 71.45 C ATOM 1294 CG GLU A 89 6.721 11.803 -1.931 1.00 44.41 C ATOM 1295 CD GLU A 89 6.562 11.501 -3.435 1.00 60.21 C ATOM 1296 OE1 GLU A 89 7.443 10.841 -4.025 1.00 44.23 O ATOM 1297 OE2 GLU A 89 5.587 11.979 -4.056 1.00 2.23 O ATOM 0 H GLU A 89 8.987 11.399 -0.188 1.00 54.02 H new ATOM 0 HA GLU A 89 9.291 12.091 -2.904 1.00 11.52 H new ATOM 0 HB2 GLU A 89 7.635 13.258 -0.620 1.00 71.45 H new ATOM 0 HB3 GLU A 89 7.481 13.797 -2.280 1.00 71.45 H new ATOM 0 HG2 GLU A 89 7.045 10.899 -1.415 1.00 44.41 H new ATOM 0 HG3 GLU A 89 5.752 12.078 -1.515 1.00 44.41 H new ATOM 1304 N VAL A 90 10.657 14.160 -3.084 1.00 45.43 N ATOM 1305 CA VAL A 90 11.516 15.338 -3.248 1.00 62.23 C ATOM 1306 C VAL A 90 10.778 16.606 -2.754 1.00 73.51 C ATOM 1307 O VAL A 90 9.669 16.919 -3.213 1.00 64.34 O ATOM 1308 CB VAL A 90 12.031 15.492 -4.738 1.00 74.43 C ATOM 1309 CG1 VAL A 90 12.901 14.273 -5.154 1.00 44.10 C ATOM 1310 CG2 VAL A 90 10.879 15.707 -5.754 1.00 24.41 C ATOM 0 H VAL A 90 10.509 13.637 -3.947 1.00 45.43 H new ATOM 0 HA VAL A 90 12.405 15.201 -2.633 1.00 62.23 H new ATOM 0 HB VAL A 90 12.646 16.391 -4.760 1.00 74.43 H new ATOM 0 HG11 VAL A 90 13.242 14.403 -6.181 1.00 44.10 H new ATOM 0 HG12 VAL A 90 13.764 14.199 -4.492 1.00 44.10 H new ATOM 0 HG13 VAL A 90 12.308 13.361 -5.081 1.00 44.10 H new ATOM 0 HG21 VAL A 90 11.293 15.806 -6.758 1.00 24.41 H new ATOM 0 HG22 VAL A 90 10.202 14.853 -5.723 1.00 24.41 H new ATOM 0 HG23 VAL A 90 10.331 16.613 -5.496 1.00 24.41 H new ATOM 1320 N SER A 91 11.378 17.287 -1.764 1.00 11.12 N ATOM 1321 CA SER A 91 10.731 18.373 -0.999 1.00 74.20 C ATOM 1322 C SER A 91 10.831 19.728 -1.733 1.00 3.11 C ATOM 1323 O SER A 91 11.131 20.755 -1.108 1.00 44.30 O ATOM 1324 CB SER A 91 11.378 18.428 0.408 1.00 4.21 C ATOM 1325 OG SER A 91 12.786 18.621 0.339 1.00 72.11 O ATOM 0 H SER A 91 12.336 17.099 -1.467 1.00 11.12 H new ATOM 0 HA SER A 91 9.665 18.167 -0.900 1.00 74.20 H new ATOM 0 HB2 SER A 91 10.929 19.238 0.982 1.00 4.21 H new ATOM 0 HB3 SER A 91 11.165 17.502 0.942 1.00 4.21 H new ATOM 0 HG SER A 91 13.157 18.652 1.246 1.00 72.11 H new ATOM 1331 N LYS A 92 10.523 19.711 -3.053 1.00 32.42 N ATOM 1332 CA LYS A 92 10.697 20.850 -3.972 1.00 32.23 C ATOM 1333 C LYS A 92 12.190 21.285 -4.031 1.00 11.25 C ATOM 1334 O LYS A 92 12.656 22.020 -3.151 1.00 41.34 O ATOM 1335 CB LYS A 92 9.738 22.035 -3.608 1.00 35.03 C ATOM 1336 CG LYS A 92 9.926 23.322 -4.456 1.00 23.04 C ATOM 1337 CD LYS A 92 9.812 23.074 -5.988 1.00 23.43 C ATOM 1338 CE LYS A 92 10.141 24.328 -6.810 1.00 14.04 C ATOM 1339 NZ LYS A 92 10.162 24.061 -8.270 1.00 41.25 N ATOM 0 H LYS A 92 10.139 18.885 -3.513 1.00 32.42 H new ATOM 0 HA LYS A 92 10.416 20.528 -4.975 1.00 32.23 H new ATOM 0 HB2 LYS A 92 8.708 21.695 -3.717 1.00 35.03 H new ATOM 0 HB3 LYS A 92 9.881 22.287 -2.557 1.00 35.03 H new ATOM 0 HG2 LYS A 92 9.179 24.057 -4.158 1.00 23.04 H new ATOM 0 HG3 LYS A 92 10.903 23.753 -4.237 1.00 23.04 H new ATOM 0 HD2 LYS A 92 10.488 22.268 -6.274 1.00 23.43 H new ATOM 0 HD3 LYS A 92 8.801 22.742 -6.225 1.00 23.43 H new ATOM 0 HE2 LYS A 92 9.404 25.102 -6.596 1.00 14.04 H new ATOM 0 HE3 LYS A 92 11.111 24.717 -6.501 1.00 14.04 H new ATOM 0 HZ1 LYS A 92 10.389 24.938 -8.780 1.00 41.25 H new ATOM 0 HZ2 LYS A 92 10.883 23.342 -8.481 1.00 41.25 H new ATOM 0 HZ3 LYS A 92 9.229 23.715 -8.573 1.00 41.25 H new ATOM 1353 N PRO A 93 12.975 20.791 -5.050 1.00 25.14 N ATOM 1354 CA PRO A 93 14.375 21.243 -5.267 1.00 2.53 C ATOM 1355 C PRO A 93 14.432 22.706 -5.767 1.00 10.04 C ATOM 1356 O PRO A 93 13.499 23.181 -6.435 1.00 32.51 O ATOM 1357 CB PRO A 93 14.909 20.246 -6.333 1.00 33.24 C ATOM 1358 CG PRO A 93 13.685 19.791 -7.081 1.00 64.20 C ATOM 1359 CD PRO A 93 12.572 19.744 -6.047 1.00 35.41 C ATOM 0 HA PRO A 93 14.969 21.243 -4.353 1.00 2.53 H new ATOM 0 HB2 PRO A 93 15.625 20.726 -7.000 1.00 33.24 H new ATOM 0 HB3 PRO A 93 15.423 19.405 -5.866 1.00 33.24 H new ATOM 0 HG2 PRO A 93 13.441 20.480 -7.890 1.00 64.20 H new ATOM 0 HG3 PRO A 93 13.843 18.812 -7.533 1.00 64.20 H new ATOM 0 HD2 PRO A 93 11.602 19.965 -6.491 1.00 35.41 H new ATOM 0 HD3 PRO A 93 12.494 18.759 -5.586 1.00 35.41 H new ATOM 1367 N GLN A 94 15.523 23.412 -5.425 1.00 45.35 N ATOM 1368 CA GLN A 94 15.746 24.806 -5.839 1.00 73.52 C ATOM 1369 C GLN A 94 16.278 24.805 -7.294 1.00 45.32 C ATOM 1370 O GLN A 94 15.477 24.968 -8.240 1.00 62.11 O ATOM 1371 CB GLN A 94 16.726 25.510 -4.828 1.00 32.04 C ATOM 1372 CG GLN A 94 16.620 27.061 -4.733 1.00 3.54 C ATOM 1373 CD GLN A 94 16.898 27.804 -6.047 1.00 33.11 C ATOM 1374 OE1 GLN A 94 18.038 28.132 -6.366 1.00 5.23 O ATOM 1375 NE2 GLN A 94 15.851 28.087 -6.804 1.00 14.23 N ATOM 1376 OXT GLN A 94 17.493 24.595 -7.498 1.00 38.26 O ATOM 0 H GLN A 94 16.276 23.030 -4.853 1.00 45.35 H new ATOM 0 HA GLN A 94 14.818 25.377 -5.821 1.00 73.52 H new ATOM 0 HB2 GLN A 94 16.552 25.093 -3.836 1.00 32.04 H new ATOM 0 HB3 GLN A 94 17.748 25.253 -5.107 1.00 32.04 H new ATOM 0 HG2 GLN A 94 15.620 27.323 -4.388 1.00 3.54 H new ATOM 0 HG3 GLN A 94 17.321 27.414 -3.976 1.00 3.54 H new ATOM 0 HE21 GLN A 94 14.917 27.800 -6.511 1.00 14.23 H new ATOM 0 HE22 GLN A 94 15.977 28.592 -7.681 1.00 14.23 H new TER 1385 GLN A 94 HETATM 1386 ZN ZN A 101 -5.905 0.338 -4.976 1.00 74.52 ZN HETATM 1387 ZN ZN A 102 4.076 7.771 3.038 1.00 0.00 ZN