USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 534 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 4 HIS : no HD1:sc= -7.09! C(o=-8!,f=-13!) USER MOD Set 1.2: A 6 THR OG1 : rot 180:sc= -0.877 USER MOD Set 2.1: A 1 ILE N :NH3+ -176:sc= -0.0476 (180deg=-0.77) USER MOD Set 2.2: A 12 SER OG : rot -59:sc= 1.51 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 106:sc= -1.08! USER MOD Single : A 21 ASN : amide:sc= -5.02! C(o=-5!,f=-21!) USER MOD Single : A 24 TYR OH : rot 180:sc= -0.424 USER MOD Single : A 26 LYS NZ :NH3+ -141:sc= -0.283 (180deg=-2.91!) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0153 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.367 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.143) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -16:sc= 0.914 USER MOD Single : A 64 LYS NZ :NH3+ 168:sc= -0.134 (180deg=-0.495) USER MOD Single : A 66 ASN : amide:sc= -3.17 K(o=-3.2,f=-1.5!) USER MOD Single : A 68 HIS : no HD1:sc= -0.466 X(o=-0.47,f=-0.61) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.153 K(o=-0.15,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -2.498 11.973 1.455 1.00 0.00 N ATOM 2 CA ILE A 1 -1.943 10.607 1.272 1.00 0.00 C ATOM 3 C ILE A 1 -2.017 9.808 2.569 1.00 0.00 C ATOM 4 O ILE A 1 -1.634 10.294 3.633 1.00 0.00 O ATOM 5 CB ILE A 1 -0.478 10.657 0.800 1.00 0.00 C ATOM 6 CG1 ILE A 1 -0.314 11.679 -0.326 1.00 0.00 C ATOM 7 CG2 ILE A 1 -0.022 9.280 0.343 1.00 0.00 C ATOM 8 CD1 ILE A 1 -1.103 11.338 -1.572 1.00 0.00 C ATOM 0 H1 ILE A 1 -2.499 12.473 0.543 1.00 0.00 H new ATOM 0 H2 ILE A 1 -3.472 11.907 1.814 1.00 0.00 H new ATOM 0 H3 ILE A 1 -1.913 12.497 2.136 1.00 0.00 H new ATOM 0 HA ILE A 1 -2.548 10.118 0.509 1.00 0.00 H new ATOM 0 HB ILE A 1 0.147 10.966 1.638 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -0.626 12.659 0.035 1.00 0.00 H new ATOM 0 HG13 ILE A 1 0.742 11.756 -0.584 1.00 0.00 H new ATOM 0 HG21 ILE A 1 1.015 9.331 0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -0.104 8.576 1.171 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -0.650 8.944 -0.482 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -0.939 12.106 -2.328 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -0.775 10.373 -1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -2.164 11.289 -1.329 1.00 0.00 H new ATOM 22 N VAL A 2 -2.514 8.577 2.473 1.00 0.00 N ATOM 23 CA VAL A 2 -2.640 7.711 3.639 1.00 0.00 C ATOM 24 C VAL A 2 -2.671 6.240 3.229 1.00 0.00 C ATOM 25 O VAL A 2 -2.747 5.922 2.042 1.00 0.00 O ATOM 26 CB VAL A 2 -3.911 8.040 4.446 1.00 0.00 C ATOM 27 CG1 VAL A 2 -3.791 9.408 5.098 1.00 0.00 C ATOM 28 CG2 VAL A 2 -5.142 7.975 3.558 1.00 0.00 C ATOM 0 H VAL A 2 -2.835 8.159 1.600 1.00 0.00 H new ATOM 0 HA VAL A 2 -1.767 7.890 4.266 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.019 7.294 5.233 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -4.698 9.622 5.663 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.934 9.416 5.771 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.655 10.167 4.328 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -6.028 8.210 4.147 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -5.044 8.696 2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -5.238 6.972 3.143 1.00 0.00 H new ATOM 38 N CYS A 3 -2.602 5.347 4.218 1.00 0.00 N ATOM 39 CA CYS A 3 -2.616 3.910 3.961 1.00 0.00 C ATOM 40 C CYS A 3 -3.666 3.550 2.929 1.00 0.00 C ATOM 41 O CYS A 3 -4.867 3.485 3.190 1.00 0.00 O ATOM 42 CB CYS A 3 -2.795 3.102 5.240 1.00 0.00 C ATOM 43 SG CYS A 3 -1.256 2.320 5.823 1.00 0.00 S ATOM 0 H CYS A 3 -2.536 5.596 5.205 1.00 0.00 H new ATOM 0 HA CYS A 3 -1.640 3.646 3.553 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.181 3.755 6.023 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.545 2.329 5.071 1.00 0.00 H new ATOM 48 N HIS A 4 -3.140 3.342 1.747 1.00 0.00 N ATOM 49 CA HIS A 4 -3.886 2.998 0.541 1.00 0.00 C ATOM 50 C HIS A 4 -5.083 3.908 0.335 1.00 0.00 C ATOM 51 O HIS A 4 -5.990 3.574 -0.421 1.00 0.00 O ATOM 52 CB HIS A 4 -4.329 1.536 0.546 1.00 0.00 C ATOM 53 CG HIS A 4 -4.814 1.091 1.870 1.00 0.00 C ATOM 54 ND1 HIS A 4 -3.965 0.792 2.900 1.00 0.00 N ATOM 55 CD2 HIS A 4 -6.062 0.959 2.351 1.00 0.00 C ATOM 56 CE1 HIS A 4 -4.665 0.497 3.970 1.00 0.00 C ATOM 57 NE2 HIS A 4 -5.950 0.591 3.671 1.00 0.00 N ATOM 0 H HIS A 4 -2.136 3.409 1.582 1.00 0.00 H new ATOM 0 HA HIS A 4 -3.202 3.145 -0.295 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.120 1.398 -0.191 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -3.494 0.907 0.239 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -6.980 1.113 1.804 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -4.260 0.223 4.933 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -6.726 0.420 4.311 1.00 0.00 H new ATOM 66 N THR A 5 -5.060 5.074 0.980 1.00 0.00 N ATOM 67 CA THR A 5 -6.124 6.054 0.840 1.00 0.00 C ATOM 68 C THR A 5 -7.516 5.407 0.938 1.00 0.00 C ATOM 69 O THR A 5 -8.215 5.579 1.937 1.00 0.00 O ATOM 70 CB THR A 5 -5.908 6.787 -0.486 1.00 0.00 C ATOM 71 OG1 THR A 5 -5.249 8.021 -0.261 1.00 0.00 O ATOM 72 CG2 THR A 5 -7.172 7.083 -1.262 1.00 0.00 C ATOM 0 H THR A 5 -4.308 5.359 1.608 1.00 0.00 H new ATOM 0 HA THR A 5 -6.087 6.770 1.661 1.00 0.00 H new ATOM 0 HB THR A 5 -5.310 6.100 -1.085 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.114 8.481 -1.116 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.918 7.603 -2.186 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.680 6.149 -1.500 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.830 7.711 -0.661 1.00 0.00 H new ATOM 80 N THR A 6 -7.904 4.661 -0.096 1.00 0.00 N ATOM 81 CA THR A 6 -9.200 3.981 -0.127 1.00 0.00 C ATOM 82 C THR A 6 -10.327 4.944 -0.488 1.00 0.00 C ATOM 83 O THR A 6 -11.412 4.892 0.092 1.00 0.00 O ATOM 84 CB THR A 6 -9.494 3.312 1.219 1.00 0.00 C ATOM 85 OG1 THR A 6 -8.291 2.943 1.869 1.00 0.00 O ATOM 86 CG2 THR A 6 -10.345 2.068 1.095 1.00 0.00 C ATOM 0 H THR A 6 -7.335 4.511 -0.929 1.00 0.00 H new ATOM 0 HA THR A 6 -9.147 3.214 -0.899 1.00 0.00 H new ATOM 0 HB THR A 6 -10.044 4.055 1.796 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.500 2.519 2.727 1.00 0.00 H new ATOM 0 HG21 THR A 6 -10.516 1.644 2.084 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.302 2.325 0.641 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.832 1.337 0.470 1.00 0.00 H new ATOM 94 N ALA A 7 -10.063 5.816 -1.459 1.00 0.00 N ATOM 95 CA ALA A 7 -11.047 6.794 -1.921 1.00 0.00 C ATOM 96 C ALA A 7 -10.371 7.888 -2.751 1.00 0.00 C ATOM 97 O ALA A 7 -10.141 7.710 -3.947 1.00 0.00 O ATOM 98 CB ALA A 7 -11.811 7.398 -0.747 1.00 0.00 C ATOM 0 H ALA A 7 -9.168 5.865 -1.945 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.765 6.277 -2.557 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -12.536 8.122 -1.119 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -12.332 6.608 -0.206 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.112 7.897 -0.076 1.00 0.00 H new ATOM 104 N THR A 8 -10.048 9.014 -2.111 1.00 0.00 N ATOM 105 CA THR A 8 -9.393 10.133 -2.790 1.00 0.00 C ATOM 106 C THR A 8 -9.460 11.397 -1.934 1.00 0.00 C ATOM 107 O THR A 8 -8.444 11.865 -1.421 1.00 0.00 O ATOM 108 CB THR A 8 -10.023 10.395 -4.168 1.00 0.00 C ATOM 109 OG1 THR A 8 -9.765 11.721 -4.596 1.00 0.00 O ATOM 110 CG2 THR A 8 -11.525 10.189 -4.206 1.00 0.00 C ATOM 0 H THR A 8 -10.230 9.175 -1.120 1.00 0.00 H new ATOM 0 HA THR A 8 -8.348 9.863 -2.938 1.00 0.00 H new ATOM 0 HB THR A 8 -9.560 9.663 -4.830 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.173 11.866 -5.475 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.895 10.393 -5.211 1.00 0.00 H new ATOM 0 HG22 THR A 8 -11.758 9.159 -3.936 1.00 0.00 H new ATOM 0 HG23 THR A 8 -12.003 10.867 -3.499 1.00 0.00 H new ATOM 118 N SER A 9 -10.663 11.946 -1.790 1.00 0.00 N ATOM 119 CA SER A 9 -10.865 13.157 -1.002 1.00 0.00 C ATOM 120 C SER A 9 -11.268 12.832 0.437 1.00 0.00 C ATOM 121 O SER A 9 -10.672 13.346 1.383 1.00 0.00 O ATOM 122 CB SER A 9 -11.933 14.038 -1.655 1.00 0.00 C ATOM 123 OG SER A 9 -11.539 15.400 -1.654 1.00 0.00 O ATOM 0 H SER A 9 -11.513 11.570 -2.210 1.00 0.00 H new ATOM 0 HA SER A 9 -9.917 13.695 -0.972 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.106 13.707 -2.679 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.877 13.928 -1.120 1.00 0.00 H new ATOM 0 HG SER A 9 -12.236 15.943 -2.078 1.00 0.00 H new ATOM 129 N PRO A 10 -12.292 11.978 0.627 1.00 0.00 N ATOM 130 CA PRO A 10 -12.769 11.603 1.963 1.00 0.00 C ATOM 131 C PRO A 10 -11.639 11.188 2.901 1.00 0.00 C ATOM 132 O PRO A 10 -11.406 11.830 3.925 1.00 0.00 O ATOM 133 CB PRO A 10 -13.701 10.423 1.685 1.00 0.00 C ATOM 134 CG PRO A 10 -14.203 10.664 0.304 1.00 0.00 C ATOM 135 CD PRO A 10 -13.072 11.321 -0.440 1.00 0.00 C ATOM 0 HA PRO A 10 -13.252 12.438 2.469 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -13.171 9.473 1.755 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -14.519 10.385 2.404 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.493 9.729 -0.174 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -15.086 11.303 0.316 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -12.472 10.591 -0.984 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.438 12.042 -1.171 1.00 0.00 H new ATOM 143 N ILE A 11 -10.942 10.111 2.551 1.00 0.00 N ATOM 144 CA ILE A 11 -9.841 9.621 3.373 1.00 0.00 C ATOM 145 C ILE A 11 -8.617 10.542 3.254 1.00 0.00 C ATOM 146 O ILE A 11 -8.705 11.726 3.581 1.00 0.00 O ATOM 147 CB ILE A 11 -9.471 8.165 3.009 1.00 0.00 C ATOM 148 CG1 ILE A 11 -10.735 7.311 2.872 1.00 0.00 C ATOM 149 CG2 ILE A 11 -8.544 7.573 4.062 1.00 0.00 C ATOM 150 CD1 ILE A 11 -11.595 7.299 4.116 1.00 0.00 C ATOM 0 H ILE A 11 -11.119 9.564 1.709 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.174 9.629 4.411 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.950 8.170 2.052 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -11.326 7.683 2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.448 6.288 2.629 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.293 6.548 3.791 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.632 8.167 4.119 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.043 7.580 5.031 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -12.472 6.675 3.946 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -11.021 6.898 4.951 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.913 8.315 4.348 1.00 0.00 H new ATOM 162 N SER A 12 -7.478 10.015 2.791 1.00 0.00 N ATOM 163 CA SER A 12 -6.270 10.824 2.648 1.00 0.00 C ATOM 164 C SER A 12 -5.952 11.575 3.941 1.00 0.00 C ATOM 165 O SER A 12 -5.322 12.632 3.916 1.00 0.00 O ATOM 166 CB SER A 12 -6.432 11.818 1.496 1.00 0.00 C ATOM 167 OG SER A 12 -5.330 12.706 1.430 1.00 0.00 O ATOM 0 H SER A 12 -7.371 9.040 2.512 1.00 0.00 H new ATOM 0 HA SER A 12 -5.440 10.152 2.430 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.524 11.276 0.554 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.353 12.386 1.628 1.00 0.00 H new ATOM 0 HG SER A 12 -5.258 13.201 2.273 1.00 0.00 H new ATOM 173 N ALA A 13 -6.394 11.022 5.069 1.00 0.00 N ATOM 174 CA ALA A 13 -6.156 11.642 6.369 1.00 0.00 C ATOM 175 C ALA A 13 -6.748 10.800 7.494 1.00 0.00 C ATOM 176 O ALA A 13 -7.889 11.009 7.903 1.00 0.00 O ATOM 177 CB ALA A 13 -6.741 13.047 6.399 1.00 0.00 C ATOM 0 H ALA A 13 -6.918 10.148 5.108 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.079 11.704 6.522 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.556 13.497 7.374 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.271 13.653 5.624 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.815 12.998 6.220 1.00 0.00 H new ATOM 183 N VAL A 14 -5.962 9.848 7.988 1.00 0.00 N ATOM 184 CA VAL A 14 -6.404 8.969 9.068 1.00 0.00 C ATOM 185 C VAL A 14 -5.321 7.957 9.427 1.00 0.00 C ATOM 186 O VAL A 14 -5.141 7.612 10.594 1.00 0.00 O ATOM 187 CB VAL A 14 -7.697 8.204 8.701 1.00 0.00 C ATOM 188 CG1 VAL A 14 -8.922 8.920 9.250 1.00 0.00 C ATOM 189 CG2 VAL A 14 -7.812 8.018 7.194 1.00 0.00 C ATOM 0 H VAL A 14 -5.015 9.665 7.658 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.608 9.612 9.924 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.645 7.217 9.160 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.820 8.364 8.980 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.849 8.986 10.336 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.976 9.924 8.828 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -8.730 7.477 6.963 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.833 8.993 6.708 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.955 7.450 6.831 1.00 0.00 H new ATOM 199 N THR A 15 -4.604 7.479 8.413 1.00 0.00 N ATOM 200 CA THR A 15 -3.542 6.502 8.621 1.00 0.00 C ATOM 201 C THR A 15 -2.260 7.179 9.110 1.00 0.00 C ATOM 202 O THR A 15 -1.924 7.111 10.293 1.00 0.00 O ATOM 203 CB THR A 15 -3.265 5.724 7.328 1.00 0.00 C ATOM 204 OG1 THR A 15 -2.445 6.479 6.452 1.00 0.00 O ATOM 205 CG2 THR A 15 -4.521 5.332 6.558 1.00 0.00 C ATOM 0 H THR A 15 -4.740 7.753 7.440 1.00 0.00 H new ATOM 0 HA THR A 15 -3.876 5.804 9.389 1.00 0.00 H new ATOM 0 HB THR A 15 -2.768 4.811 7.655 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.538 6.108 6.451 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.240 4.786 5.658 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.150 4.699 7.185 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.073 6.230 6.280 1.00 0.00 H new ATOM 213 N CYS A 16 -1.551 7.832 8.193 1.00 0.00 N ATOM 214 CA CYS A 16 -0.308 8.525 8.520 1.00 0.00 C ATOM 215 C CYS A 16 -0.497 10.037 8.409 1.00 0.00 C ATOM 216 O CYS A 16 -1.458 10.503 7.797 1.00 0.00 O ATOM 217 CB CYS A 16 0.815 8.066 7.583 1.00 0.00 C ATOM 218 SG CYS A 16 2.093 7.037 8.382 1.00 0.00 S ATOM 0 H CYS A 16 -1.819 7.896 7.211 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.034 8.281 9.546 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.376 7.503 6.759 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.292 8.945 7.150 1.00 0.00 H new ATOM 223 N PRO A 17 0.419 10.827 8.995 1.00 0.00 N ATOM 224 CA PRO A 17 0.339 12.290 8.949 1.00 0.00 C ATOM 225 C PRO A 17 0.522 12.832 7.534 1.00 0.00 C ATOM 226 O PRO A 17 0.774 12.073 6.598 1.00 0.00 O ATOM 227 CB PRO A 17 1.492 12.745 9.849 1.00 0.00 C ATOM 228 CG PRO A 17 2.443 11.599 9.862 1.00 0.00 C ATOM 229 CD PRO A 17 1.601 10.360 9.741 1.00 0.00 C ATOM 0 HA PRO A 17 -0.636 12.654 9.273 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.965 13.647 9.460 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.140 12.978 10.854 1.00 0.00 H new ATOM 0 HG2 PRO A 17 3.152 11.671 9.037 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.026 11.586 10.783 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.126 9.567 9.208 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.329 9.961 10.718 1.00 0.00 H new ATOM 237 N PRO A 18 0.394 14.158 7.355 1.00 0.00 N ATOM 238 CA PRO A 18 0.545 14.796 6.042 1.00 0.00 C ATOM 239 C PRO A 18 1.891 14.480 5.398 1.00 0.00 C ATOM 240 O PRO A 18 2.940 14.629 6.023 1.00 0.00 O ATOM 241 CB PRO A 18 0.440 16.292 6.354 1.00 0.00 C ATOM 242 CG PRO A 18 -0.306 16.362 7.642 1.00 0.00 C ATOM 243 CD PRO A 18 0.090 15.137 8.414 1.00 0.00 C ATOM 0 HA PRO A 18 -0.203 14.444 5.331 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.426 16.747 6.443 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -0.087 16.825 5.562 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.053 17.269 8.191 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -1.382 16.384 7.469 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.955 15.324 9.051 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.715 14.792 9.063 1.00 0.00 H new ATOM 251 N GLY A 19 1.853 14.041 4.143 1.00 0.00 N ATOM 252 CA GLY A 19 3.076 13.710 3.436 1.00 0.00 C ATOM 253 C GLY A 19 2.822 13.295 2.001 1.00 0.00 C ATOM 254 O GLY A 19 1.683 13.311 1.536 1.00 0.00 O ATOM 0 H GLY A 19 0.997 13.909 3.604 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.744 14.571 3.449 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.587 12.902 3.959 1.00 0.00 H new ATOM 258 N GLU A 20 3.887 12.922 1.298 1.00 0.00 N ATOM 259 CA GLU A 20 3.776 12.499 -0.094 1.00 0.00 C ATOM 260 C GLU A 20 4.216 11.048 -0.261 1.00 0.00 C ATOM 261 O GLU A 20 5.402 10.771 -0.434 1.00 0.00 O ATOM 262 CB GLU A 20 4.618 13.404 -0.994 1.00 0.00 C ATOM 263 CG GLU A 20 4.507 14.881 -0.651 1.00 0.00 C ATOM 264 CD GLU A 20 5.487 15.737 -1.429 1.00 0.00 C ATOM 265 OE1 GLU A 20 6.671 15.792 -1.036 1.00 0.00 O ATOM 266 OE2 GLU A 20 5.071 16.351 -2.435 1.00 0.00 O ATOM 0 H GLU A 20 4.837 12.904 1.669 1.00 0.00 H new ATOM 0 HA GLU A 20 2.729 12.578 -0.387 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.663 13.101 -0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.313 13.257 -2.030 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.492 15.222 -0.854 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.681 15.016 0.417 1.00 0.00 H new ATOM 273 N ASN A 21 3.246 10.134 -0.212 1.00 0.00 N ATOM 274 CA ASN A 21 3.493 8.699 -0.356 1.00 0.00 C ATOM 275 C ASN A 21 3.667 8.033 1.004 1.00 0.00 C ATOM 276 O ASN A 21 4.468 7.112 1.157 1.00 0.00 O ATOM 277 CB ASN A 21 4.713 8.423 -1.233 1.00 0.00 C ATOM 278 CG ASN A 21 4.611 7.095 -1.948 1.00 0.00 C ATOM 279 OD1 ASN A 21 4.558 7.044 -3.174 1.00 0.00 O ATOM 280 ND2 ASN A 21 4.591 6.010 -1.182 1.00 0.00 N ATOM 0 H ASN A 21 2.264 10.369 -0.071 1.00 0.00 H new ATOM 0 HA ASN A 21 2.618 8.272 -0.846 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.820 9.222 -1.967 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.612 8.434 -0.617 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.529 5.086 -1.609 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.637 6.101 -0.167 1.00 0.00 H new ATOM 287 N LEU A 22 2.901 8.496 1.986 1.00 0.00 N ATOM 288 CA LEU A 22 2.964 7.933 3.327 1.00 0.00 C ATOM 289 C LEU A 22 2.100 6.679 3.415 1.00 0.00 C ATOM 290 O LEU A 22 1.148 6.514 2.652 1.00 0.00 O ATOM 291 CB LEU A 22 2.515 8.966 4.364 1.00 0.00 C ATOM 292 CG LEU A 22 3.493 10.124 4.605 1.00 0.00 C ATOM 293 CD1 LEU A 22 3.129 10.880 5.875 1.00 0.00 C ATOM 294 CD2 LEU A 22 4.928 9.615 4.681 1.00 0.00 C ATOM 0 H LEU A 22 2.231 9.258 1.878 1.00 0.00 H new ATOM 0 HA LEU A 22 3.997 7.659 3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.558 9.381 4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.344 8.454 5.311 1.00 0.00 H new ATOM 0 HG LEU A 22 3.418 10.810 3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.835 11.697 6.027 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.121 11.284 5.782 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.170 10.201 6.727 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.603 10.454 4.852 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.019 8.903 5.501 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.190 9.124 3.744 1.00 0.00 H new ATOM 306 N CYS A 23 2.448 5.791 4.340 1.00 0.00 N ATOM 307 CA CYS A 23 1.715 4.542 4.517 1.00 0.00 C ATOM 308 C CYS A 23 1.653 3.777 3.200 1.00 0.00 C ATOM 309 O CYS A 23 0.616 3.232 2.821 1.00 0.00 O ATOM 310 CB CYS A 23 0.314 4.822 5.031 1.00 0.00 C ATOM 311 SG CYS A 23 -0.146 3.873 6.521 1.00 0.00 S ATOM 0 H CYS A 23 3.233 5.913 4.979 1.00 0.00 H new ATOM 0 HA CYS A 23 2.239 3.930 5.252 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.227 5.886 5.251 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.401 4.601 4.239 1.00 0.00 H new ATOM 316 N TYR A 24 2.786 3.759 2.515 1.00 0.00 N ATOM 317 CA TYR A 24 2.935 3.084 1.225 1.00 0.00 C ATOM 318 C TYR A 24 2.185 1.756 1.186 1.00 0.00 C ATOM 319 O TYR A 24 1.842 1.191 2.224 1.00 0.00 O ATOM 320 CB TYR A 24 4.420 2.858 0.940 1.00 0.00 C ATOM 321 CG TYR A 24 5.223 2.462 2.163 1.00 0.00 C ATOM 322 CD1 TYR A 24 5.094 1.194 2.717 1.00 0.00 C ATOM 323 CD2 TYR A 24 6.111 3.350 2.761 1.00 0.00 C ATOM 324 CE1 TYR A 24 5.825 0.821 3.827 1.00 0.00 C ATOM 325 CE2 TYR A 24 6.844 2.983 3.873 1.00 0.00 C ATOM 326 CZ TYR A 24 6.699 1.718 4.402 1.00 0.00 C ATOM 327 OH TYR A 24 7.431 1.347 5.507 1.00 0.00 O ATOM 0 H TYR A 24 3.639 4.216 2.838 1.00 0.00 H new ATOM 0 HA TYR A 24 2.501 3.724 0.456 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.521 2.080 0.183 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.843 3.770 0.519 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.409 0.488 2.271 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.229 4.342 2.350 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.712 -0.169 4.243 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.528 3.685 4.326 1.00 0.00 H new ATOM 0 HH TYR A 24 8.000 2.094 5.789 1.00 0.00 H new ATOM 337 N ARG A 25 1.929 1.273 -0.025 1.00 0.00 N ATOM 338 CA ARG A 25 1.212 0.023 -0.216 1.00 0.00 C ATOM 339 C ARG A 25 2.046 -0.942 -1.041 1.00 0.00 C ATOM 340 O ARG A 25 1.595 -1.482 -2.050 1.00 0.00 O ATOM 341 CB ARG A 25 -0.115 0.307 -0.899 1.00 0.00 C ATOM 342 CG ARG A 25 -0.914 1.366 -0.168 1.00 0.00 C ATOM 343 CD ARG A 25 -1.202 0.937 1.260 1.00 0.00 C ATOM 344 NE ARG A 25 -1.614 -0.462 1.344 1.00 0.00 N ATOM 345 CZ ARG A 25 -1.662 -1.154 2.480 1.00 0.00 C ATOM 346 NH1 ARG A 25 -1.328 -0.581 3.630 1.00 0.00 N ATOM 347 NH2 ARG A 25 -2.043 -2.423 2.469 1.00 0.00 N ATOM 0 H ARG A 25 2.210 1.733 -0.891 1.00 0.00 H new ATOM 0 HA ARG A 25 1.022 -0.440 0.752 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.067 0.633 -1.923 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.698 -0.612 -0.955 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.363 2.306 -0.165 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.851 1.548 -0.694 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.311 1.089 1.870 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.985 1.570 1.677 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.881 -0.936 0.481 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.032 0.395 3.647 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.367 -1.117 4.497 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.300 -2.871 1.589 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.079 -2.952 3.340 1.00 0.00 H new ATOM 361 N LYS A 26 3.272 -1.133 -0.585 1.00 0.00 N ATOM 362 CA LYS A 26 4.234 -2.015 -1.248 1.00 0.00 C ATOM 363 C LYS A 26 3.859 -3.486 -1.075 1.00 0.00 C ATOM 364 O LYS A 26 2.770 -3.806 -0.606 1.00 0.00 O ATOM 365 CB LYS A 26 5.638 -1.754 -0.697 1.00 0.00 C ATOM 366 CG LYS A 26 5.917 -0.284 -0.408 1.00 0.00 C ATOM 367 CD LYS A 26 7.218 0.181 -1.047 1.00 0.00 C ATOM 368 CE LYS A 26 6.962 1.018 -2.291 1.00 0.00 C ATOM 369 NZ LYS A 26 8.191 1.188 -3.115 1.00 0.00 N ATOM 0 H LYS A 26 3.635 -0.683 0.256 1.00 0.00 H new ATOM 0 HA LYS A 26 4.217 -1.796 -2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.772 -2.328 0.220 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.374 -2.121 -1.412 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.092 0.323 -0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.965 -0.128 0.670 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.790 0.765 -0.326 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.825 -0.685 -1.309 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.186 0.545 -2.892 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.585 1.998 -1.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.224 2.156 -3.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.031 1.018 -2.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.178 0.509 -3.903 1.00 0.00 H new ATOM 383 N MET A 27 4.760 -4.381 -1.474 1.00 0.00 N ATOM 384 CA MET A 27 4.511 -5.814 -1.370 1.00 0.00 C ATOM 385 C MET A 27 4.780 -6.316 0.045 1.00 0.00 C ATOM 386 O MET A 27 5.350 -5.604 0.871 1.00 0.00 O ATOM 387 CB MET A 27 5.375 -6.576 -2.376 1.00 0.00 C ATOM 388 CG MET A 27 4.587 -7.557 -3.224 1.00 0.00 C ATOM 389 SD MET A 27 5.463 -9.111 -3.488 1.00 0.00 S ATOM 390 CE MET A 27 5.565 -9.141 -5.276 1.00 0.00 C ATOM 0 H MET A 27 5.667 -4.138 -1.872 1.00 0.00 H new ATOM 0 HA MET A 27 3.460 -5.993 -1.599 1.00 0.00 H new ATOM 0 HB2 MET A 27 5.875 -5.861 -3.030 1.00 0.00 H new ATOM 0 HB3 MET A 27 6.155 -7.116 -1.839 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.631 -7.761 -2.742 1.00 0.00 H new ATOM 0 HG3 MET A 27 4.366 -7.101 -4.189 1.00 0.00 H new ATOM 0 HE1 MET A 27 6.083 -10.045 -5.596 1.00 0.00 H new ATOM 0 HE2 MET A 27 4.560 -9.130 -5.698 1.00 0.00 H new ATOM 0 HE3 MET A 27 6.114 -8.266 -5.624 1.00 0.00 H new ATOM 400 N TRP A 28 4.357 -7.546 0.316 1.00 0.00 N ATOM 401 CA TRP A 28 4.538 -8.147 1.632 1.00 0.00 C ATOM 402 C TRP A 28 6.012 -8.402 1.935 1.00 0.00 C ATOM 403 O TRP A 28 6.898 -7.945 1.213 1.00 0.00 O ATOM 404 CB TRP A 28 3.747 -9.455 1.729 1.00 0.00 C ATOM 405 CG TRP A 28 4.294 -10.554 0.869 1.00 0.00 C ATOM 406 CD1 TRP A 28 5.371 -11.348 1.141 1.00 0.00 C ATOM 407 CD2 TRP A 28 3.789 -10.981 -0.401 1.00 0.00 C ATOM 408 NE1 TRP A 28 5.567 -12.243 0.117 1.00 0.00 N ATOM 409 CE2 TRP A 28 4.609 -12.038 -0.841 1.00 0.00 C ATOM 410 CE3 TRP A 28 2.724 -10.573 -1.208 1.00 0.00 C ATOM 411 CZ2 TRP A 28 4.394 -12.690 -2.054 1.00 0.00 C ATOM 412 CZ3 TRP A 28 2.512 -11.220 -2.409 1.00 0.00 C ATOM 413 CH2 TRP A 28 3.343 -12.270 -2.822 1.00 0.00 C ATOM 0 H TRP A 28 3.886 -8.147 -0.360 1.00 0.00 H new ATOM 0 HA TRP A 28 4.162 -7.442 2.374 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.738 -9.788 2.767 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.712 -9.265 1.446 1.00 0.00 H new ATOM 0 HD1 TRP A 28 5.980 -11.282 2.031 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.305 -12.946 0.077 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.078 -9.765 -0.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 5.034 -13.498 -2.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 1.692 -10.912 -3.041 1.00 0.00 H new ATOM 0 HH2 TRP A 28 3.150 -12.758 -3.766 1.00 0.00 H new ATOM 424 N CYS A 29 6.258 -9.134 3.015 1.00 0.00 N ATOM 425 CA CYS A 29 7.616 -9.460 3.437 1.00 0.00 C ATOM 426 C CYS A 29 8.344 -10.264 2.361 1.00 0.00 C ATOM 427 O CYS A 29 7.900 -10.333 1.216 1.00 0.00 O ATOM 428 CB CYS A 29 7.597 -10.257 4.747 1.00 0.00 C ATOM 429 SG CYS A 29 6.412 -9.652 6.000 1.00 0.00 S ATOM 0 H CYS A 29 5.530 -9.516 3.618 1.00 0.00 H new ATOM 0 HA CYS A 29 8.148 -8.522 3.596 1.00 0.00 H new ATOM 0 HB2 CYS A 29 7.363 -11.297 4.519 1.00 0.00 H new ATOM 0 HB3 CYS A 29 8.598 -10.243 5.178 1.00 0.00 H new ATOM 434 N ASP A 30 9.462 -10.874 2.744 1.00 0.00 N ATOM 435 CA ASP A 30 10.253 -11.681 1.823 1.00 0.00 C ATOM 436 C ASP A 30 10.807 -12.911 2.537 1.00 0.00 C ATOM 437 O ASP A 30 11.905 -12.874 3.093 1.00 0.00 O ATOM 438 CB ASP A 30 11.397 -10.854 1.232 1.00 0.00 C ATOM 439 CG ASP A 30 11.480 -10.983 -0.277 1.00 0.00 C ATOM 440 OD1 ASP A 30 10.907 -11.948 -0.824 1.00 0.00 O ATOM 441 OD2 ASP A 30 12.120 -10.118 -0.912 1.00 0.00 O ATOM 0 H ASP A 30 9.841 -10.824 3.690 1.00 0.00 H new ATOM 0 HA ASP A 30 9.606 -12.009 1.010 1.00 0.00 H new ATOM 0 HB2 ASP A 30 11.260 -9.806 1.498 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.340 -11.174 1.674 1.00 0.00 H new ATOM 446 N ALA A 31 10.033 -13.996 2.524 1.00 0.00 N ATOM 447 CA ALA A 31 10.435 -15.242 3.175 1.00 0.00 C ATOM 448 C ALA A 31 10.245 -15.168 4.691 1.00 0.00 C ATOM 449 O ALA A 31 10.577 -16.111 5.411 1.00 0.00 O ATOM 450 CB ALA A 31 11.880 -15.584 2.840 1.00 0.00 C ATOM 0 H ALA A 31 9.121 -14.037 2.068 1.00 0.00 H new ATOM 0 HA ALA A 31 9.790 -16.034 2.793 1.00 0.00 H new ATOM 0 HB1 ALA A 31 12.158 -16.515 3.335 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.986 -15.701 1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.533 -14.782 3.183 1.00 0.00 H new ATOM 456 N PHE A 32 9.707 -14.048 5.172 1.00 0.00 N ATOM 457 CA PHE A 32 9.474 -13.862 6.601 1.00 0.00 C ATOM 458 C PHE A 32 7.979 -13.792 6.900 1.00 0.00 C ATOM 459 O PHE A 32 7.536 -14.149 7.991 1.00 0.00 O ATOM 460 CB PHE A 32 10.166 -12.586 7.090 1.00 0.00 C ATOM 461 CG PHE A 32 9.902 -12.273 8.537 1.00 0.00 C ATOM 462 CD1 PHE A 32 10.464 -13.045 9.541 1.00 0.00 C ATOM 463 CD2 PHE A 32 9.090 -11.207 8.890 1.00 0.00 C ATOM 464 CE1 PHE A 32 10.221 -12.759 10.871 1.00 0.00 C ATOM 465 CE2 PHE A 32 8.842 -10.919 10.220 1.00 0.00 C ATOM 466 CZ PHE A 32 9.409 -11.695 11.211 1.00 0.00 C ATOM 0 H PHE A 32 9.425 -13.257 4.593 1.00 0.00 H new ATOM 0 HA PHE A 32 9.893 -14.718 7.129 1.00 0.00 H new ATOM 0 HB2 PHE A 32 11.241 -12.685 6.939 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.834 -11.746 6.479 1.00 0.00 H new ATOM 0 HD1 PHE A 32 11.099 -13.879 9.281 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.646 -10.595 8.119 1.00 0.00 H new ATOM 0 HE1 PHE A 32 10.666 -13.367 11.644 1.00 0.00 H new ATOM 0 HE2 PHE A 32 8.205 -10.087 10.483 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.218 -11.470 12.250 1.00 0.00 H new ATOM 476 N CYS A 33 7.205 -13.334 5.921 1.00 0.00 N ATOM 477 CA CYS A 33 5.760 -13.220 6.074 1.00 0.00 C ATOM 478 C CYS A 33 5.099 -14.589 5.985 1.00 0.00 C ATOM 479 O CYS A 33 4.597 -15.112 6.981 1.00 0.00 O ATOM 480 CB CYS A 33 5.181 -12.288 5.006 1.00 0.00 C ATOM 481 SG CYS A 33 4.675 -10.651 5.632 1.00 0.00 S ATOM 0 H CYS A 33 7.556 -13.035 5.011 1.00 0.00 H new ATOM 0 HA CYS A 33 5.555 -12.799 7.058 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.923 -12.150 4.220 1.00 0.00 H new ATOM 0 HB3 CYS A 33 4.318 -12.771 4.548 1.00 0.00 H new ATOM 486 N SER A 34 5.093 -15.166 4.785 1.00 0.00 N ATOM 487 CA SER A 34 4.482 -16.476 4.569 1.00 0.00 C ATOM 488 C SER A 34 3.094 -16.526 5.199 1.00 0.00 C ATOM 489 O SER A 34 2.629 -17.582 5.627 1.00 0.00 O ATOM 490 CB SER A 34 5.365 -17.577 5.157 1.00 0.00 C ATOM 491 OG SER A 34 6.709 -17.146 5.271 1.00 0.00 O ATOM 0 H SER A 34 5.503 -14.749 3.950 1.00 0.00 H new ATOM 0 HA SER A 34 4.385 -16.639 3.496 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.988 -17.865 6.138 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.316 -18.463 4.524 1.00 0.00 H new ATOM 0 HG SER A 34 7.253 -17.867 5.651 1.00 0.00 H new ATOM 497 N SER A 35 2.446 -15.367 5.260 1.00 0.00 N ATOM 498 CA SER A 35 1.118 -15.257 5.845 1.00 0.00 C ATOM 499 C SER A 35 0.083 -14.895 4.784 1.00 0.00 C ATOM 500 O SER A 35 -0.036 -13.734 4.391 1.00 0.00 O ATOM 501 CB SER A 35 1.130 -14.201 6.952 1.00 0.00 C ATOM 502 OG SER A 35 -0.161 -14.036 7.515 1.00 0.00 O ATOM 0 H SER A 35 2.823 -14.487 4.909 1.00 0.00 H new ATOM 0 HA SER A 35 0.844 -16.223 6.269 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.835 -14.494 7.730 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.478 -13.250 6.548 1.00 0.00 H new ATOM 0 HG SER A 35 -0.126 -13.357 8.221 1.00 0.00 H new ATOM 508 N ARG A 36 -0.663 -15.895 4.326 1.00 0.00 N ATOM 509 CA ARG A 36 -1.689 -15.681 3.309 1.00 0.00 C ATOM 510 C ARG A 36 -2.682 -14.609 3.750 1.00 0.00 C ATOM 511 O ARG A 36 -2.851 -14.358 4.943 1.00 0.00 O ATOM 512 CB ARG A 36 -2.429 -16.989 3.019 1.00 0.00 C ATOM 513 CG ARG A 36 -1.835 -17.780 1.864 1.00 0.00 C ATOM 514 CD ARG A 36 -2.862 -18.713 1.241 1.00 0.00 C ATOM 515 NE ARG A 36 -3.181 -19.839 2.117 1.00 0.00 N ATOM 516 CZ ARG A 36 -2.366 -20.871 2.325 1.00 0.00 C ATOM 517 NH1 ARG A 36 -1.184 -20.923 1.725 1.00 0.00 N ATOM 518 NH2 ARG A 36 -2.733 -21.855 3.135 1.00 0.00 N ATOM 0 H ARG A 36 -0.577 -16.861 4.642 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.196 -15.339 2.399 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.420 -17.609 3.916 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.472 -16.765 2.797 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.459 -17.093 1.106 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.983 -18.360 2.219 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.772 -18.155 1.021 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.481 -19.089 0.291 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.081 -19.834 2.597 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.895 -20.170 1.101 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.564 -21.716 1.888 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.641 -21.822 3.599 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.108 -22.645 3.294 1.00 0.00 H new ATOM 532 N GLY A 37 -3.334 -13.979 2.777 1.00 0.00 N ATOM 533 CA GLY A 37 -4.300 -12.941 3.082 1.00 0.00 C ATOM 534 C GLY A 37 -3.665 -11.730 3.739 1.00 0.00 C ATOM 535 O GLY A 37 -4.333 -10.982 4.452 1.00 0.00 O ATOM 0 H GLY A 37 -3.210 -14.170 1.783 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.798 -12.632 2.163 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.068 -13.346 3.741 1.00 0.00 H new ATOM 539 N LYS A 38 -2.372 -11.540 3.500 1.00 0.00 N ATOM 540 CA LYS A 38 -1.643 -10.413 4.074 1.00 0.00 C ATOM 541 C LYS A 38 -0.620 -9.868 3.081 1.00 0.00 C ATOM 542 O LYS A 38 0.310 -10.571 2.687 1.00 0.00 O ATOM 543 CB LYS A 38 -0.943 -10.836 5.366 1.00 0.00 C ATOM 544 CG LYS A 38 -1.888 -11.407 6.412 1.00 0.00 C ATOM 545 CD LYS A 38 -2.863 -10.356 6.917 1.00 0.00 C ATOM 546 CE LYS A 38 -2.167 -9.321 7.787 1.00 0.00 C ATOM 547 NZ LYS A 38 -3.066 -8.185 8.130 1.00 0.00 N ATOM 0 H LYS A 38 -1.806 -12.152 2.912 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.360 -9.624 4.301 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.183 -11.581 5.130 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.425 -9.974 5.788 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.442 -12.243 5.985 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.311 -11.801 7.249 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.337 -9.861 6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.656 -10.839 7.488 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.816 -9.795 8.704 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.287 -8.943 7.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.552 -7.503 8.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.381 -7.716 7.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.893 -8.542 8.649 1.00 0.00 H new ATOM 561 N VAL A 39 -0.797 -8.613 2.680 1.00 0.00 N ATOM 562 CA VAL A 39 0.113 -7.982 1.732 1.00 0.00 C ATOM 563 C VAL A 39 0.708 -6.698 2.308 1.00 0.00 C ATOM 564 O VAL A 39 0.198 -6.155 3.285 1.00 0.00 O ATOM 565 CB VAL A 39 -0.597 -7.669 0.394 1.00 0.00 C ATOM 566 CG1 VAL A 39 -1.591 -6.525 0.552 1.00 0.00 C ATOM 567 CG2 VAL A 39 0.421 -7.354 -0.694 1.00 0.00 C ATOM 0 H VAL A 39 -1.560 -8.015 2.996 1.00 0.00 H new ATOM 0 HA VAL A 39 0.919 -8.691 1.543 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.155 -8.556 0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.074 -6.328 -0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.345 -6.798 1.290 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.065 -5.630 0.884 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.099 -7.137 -1.627 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.013 -6.488 -0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.079 -8.212 -0.836 1.00 0.00 H new ATOM 577 N VAL A 40 1.785 -6.223 1.682 1.00 0.00 N ATOM 578 CA VAL A 40 2.461 -5.003 2.098 1.00 0.00 C ATOM 579 C VAL A 40 2.845 -5.017 3.574 1.00 0.00 C ATOM 580 O VAL A 40 2.369 -5.848 4.348 1.00 0.00 O ATOM 581 CB VAL A 40 1.596 -3.762 1.803 1.00 0.00 C ATOM 582 CG1 VAL A 40 0.476 -3.601 2.821 1.00 0.00 C ATOM 583 CG2 VAL A 40 2.468 -2.523 1.750 1.00 0.00 C ATOM 0 H VAL A 40 2.210 -6.676 0.873 1.00 0.00 H new ATOM 0 HA VAL A 40 3.381 -4.953 1.515 1.00 0.00 H new ATOM 0 HB VAL A 40 1.124 -3.901 0.830 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.111 -2.715 2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.167 -4.481 2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.903 -3.492 3.818 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.849 -1.651 1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.970 -2.390 2.708 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.213 -2.636 0.962 1.00 0.00 H new ATOM 593 N GLU A 41 3.696 -4.072 3.955 1.00 0.00 N ATOM 594 CA GLU A 41 4.133 -3.948 5.340 1.00 0.00 C ATOM 595 C GLU A 41 3.504 -2.715 5.988 1.00 0.00 C ATOM 596 O GLU A 41 3.821 -2.373 7.127 1.00 0.00 O ATOM 597 CB GLU A 41 5.660 -3.858 5.411 1.00 0.00 C ATOM 598 CG GLU A 41 6.263 -4.657 6.556 1.00 0.00 C ATOM 599 CD GLU A 41 7.043 -5.866 6.080 1.00 0.00 C ATOM 600 OE1 GLU A 41 6.812 -6.308 4.934 1.00 0.00 O ATOM 601 OE2 GLU A 41 7.887 -6.370 6.851 1.00 0.00 O ATOM 0 H GLU A 41 4.098 -3.379 3.323 1.00 0.00 H new ATOM 0 HA GLU A 41 3.808 -4.834 5.885 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.081 -4.212 4.470 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.950 -2.812 5.516 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.921 -4.011 7.137 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.466 -4.984 7.224 1.00 0.00 H new ATOM 608 N LEU A 42 2.608 -2.056 5.242 1.00 0.00 N ATOM 609 CA LEU A 42 1.911 -0.854 5.705 1.00 0.00 C ATOM 610 C LEU A 42 2.753 -0.065 6.709 1.00 0.00 C ATOM 611 O LEU A 42 2.622 -0.244 7.919 1.00 0.00 O ATOM 612 CB LEU A 42 0.565 -1.233 6.331 1.00 0.00 C ATOM 613 CG LEU A 42 0.649 -2.069 7.612 1.00 0.00 C ATOM 614 CD1 LEU A 42 0.243 -1.238 8.821 1.00 0.00 C ATOM 615 CD2 LEU A 42 -0.227 -3.308 7.501 1.00 0.00 C ATOM 0 H LEU A 42 2.347 -2.344 4.299 1.00 0.00 H new ATOM 0 HA LEU A 42 1.740 -0.215 4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.015 -0.318 6.550 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.017 -1.786 5.594 1.00 0.00 H new ATOM 0 HG LEU A 42 1.683 -2.388 7.744 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.309 -1.849 9.721 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.910 -0.381 8.914 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.781 -0.888 8.694 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.154 -3.889 8.420 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.263 -3.008 7.343 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.107 -3.916 6.660 1.00 0.00 H new ATOM 627 N GLY A 43 3.624 0.803 6.202 1.00 0.00 N ATOM 628 CA GLY A 43 4.472 1.589 7.078 1.00 0.00 C ATOM 629 C GLY A 43 4.246 3.076 6.924 1.00 0.00 C ATOM 630 O GLY A 43 3.170 3.584 7.237 1.00 0.00 O ATOM 0 H GLY A 43 3.757 0.975 5.205 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.285 1.302 8.113 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.517 1.360 6.868 1.00 0.00 H new ATOM 634 N CYS A 44 5.265 3.774 6.435 1.00 0.00 N ATOM 635 CA CYS A 44 5.178 5.213 6.231 1.00 0.00 C ATOM 636 C CYS A 44 6.487 5.768 5.698 1.00 0.00 C ATOM 637 O CYS A 44 7.499 5.799 6.397 1.00 0.00 O ATOM 638 CB CYS A 44 4.806 5.929 7.527 1.00 0.00 C ATOM 639 SG CYS A 44 3.766 7.409 7.289 1.00 0.00 S ATOM 0 H CYS A 44 6.162 3.365 6.173 1.00 0.00 H new ATOM 0 HA CYS A 44 4.395 5.391 5.494 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.281 5.230 8.178 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.720 6.220 8.044 1.00 0.00 H new ATOM 644 N ALA A 45 6.450 6.209 4.454 1.00 0.00 N ATOM 645 CA ALA A 45 7.626 6.774 3.804 1.00 0.00 C ATOM 646 C ALA A 45 7.254 7.533 2.541 1.00 0.00 C ATOM 647 O ALA A 45 6.904 6.933 1.525 1.00 0.00 O ATOM 648 CB ALA A 45 8.631 5.680 3.486 1.00 0.00 C ATOM 0 H ALA A 45 5.615 6.188 3.868 1.00 0.00 H new ATOM 0 HA ALA A 45 8.080 7.483 4.496 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.504 6.117 3.001 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.937 5.188 4.409 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.174 4.949 2.819 1.00 0.00 H new ATOM 654 N ALA A 46 7.350 8.857 2.605 1.00 0.00 N ATOM 655 CA ALA A 46 7.042 9.698 1.456 1.00 0.00 C ATOM 656 C ALA A 46 8.167 9.640 0.448 1.00 0.00 C ATOM 657 O ALA A 46 8.727 10.668 0.064 1.00 0.00 O ATOM 658 CB ALA A 46 6.784 11.131 1.897 1.00 0.00 C ATOM 0 H ALA A 46 7.638 9.369 3.439 1.00 0.00 H new ATOM 0 HA ALA A 46 6.136 9.322 0.981 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.556 11.744 1.025 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.941 11.153 2.587 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.671 11.524 2.395 1.00 0.00 H new ATOM 664 N THR A 47 8.513 8.425 0.034 1.00 0.00 N ATOM 665 CA THR A 47 9.597 8.236 -0.914 1.00 0.00 C ATOM 666 C THR A 47 9.816 6.753 -1.222 1.00 0.00 C ATOM 667 O THR A 47 10.182 6.390 -2.340 1.00 0.00 O ATOM 668 CB THR A 47 10.849 8.885 -0.330 1.00 0.00 C ATOM 669 OG1 THR A 47 11.501 9.688 -1.297 1.00 0.00 O ATOM 670 CG2 THR A 47 11.866 7.906 0.224 1.00 0.00 C ATOM 0 H THR A 47 8.060 7.564 0.340 1.00 0.00 H new ATOM 0 HA THR A 47 9.350 8.708 -1.865 1.00 0.00 H new ATOM 0 HB THR A 47 10.479 9.484 0.502 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.299 10.095 -0.900 1.00 0.00 H new ATOM 0 HG21 THR A 47 12.722 8.454 0.618 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.410 7.322 1.023 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.198 7.237 -0.570 1.00 0.00 H new ATOM 678 N CYS A 48 9.576 5.901 -0.226 1.00 0.00 N ATOM 679 CA CYS A 48 9.728 4.455 -0.386 1.00 0.00 C ATOM 680 C CYS A 48 11.195 4.043 -0.485 1.00 0.00 C ATOM 681 O CYS A 48 11.669 3.655 -1.554 1.00 0.00 O ATOM 682 CB CYS A 48 8.969 3.968 -1.622 1.00 0.00 C ATOM 683 SG CYS A 48 7.244 4.545 -1.704 1.00 0.00 S ATOM 0 H CYS A 48 9.274 6.189 0.705 1.00 0.00 H new ATOM 0 HA CYS A 48 9.307 3.988 0.504 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.496 4.303 -2.515 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.978 2.878 -1.636 1.00 0.00 H new ATOM 688 N PRO A 49 11.931 4.108 0.635 1.00 0.00 N ATOM 689 CA PRO A 49 13.339 3.728 0.678 1.00 0.00 C ATOM 690 C PRO A 49 13.526 2.234 0.941 1.00 0.00 C ATOM 691 O PRO A 49 14.636 1.710 0.842 1.00 0.00 O ATOM 692 CB PRO A 49 13.856 4.543 1.857 1.00 0.00 C ATOM 693 CG PRO A 49 12.701 4.599 2.802 1.00 0.00 C ATOM 694 CD PRO A 49 11.447 4.548 1.958 1.00 0.00 C ATOM 0 HA PRO A 49 13.856 3.915 -0.263 1.00 0.00 H new ATOM 0 HB2 PRO A 49 14.724 4.070 2.317 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.164 5.541 1.546 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.732 3.763 3.501 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.731 5.512 3.396 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.716 3.851 2.369 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.962 5.523 1.903 1.00 0.00 H new ATOM 702 N SER A 50 12.432 1.557 1.287 1.00 0.00 N ATOM 703 CA SER A 50 12.468 0.129 1.578 1.00 0.00 C ATOM 704 C SER A 50 12.565 -0.702 0.295 1.00 0.00 C ATOM 705 O SER A 50 13.031 -0.217 -0.735 1.00 0.00 O ATOM 706 CB SER A 50 11.224 -0.267 2.379 1.00 0.00 C ATOM 707 OG SER A 50 11.404 -1.516 3.022 1.00 0.00 O ATOM 0 H SER A 50 11.507 1.979 1.372 1.00 0.00 H new ATOM 0 HA SER A 50 13.359 -0.077 2.171 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.008 0.500 3.123 1.00 0.00 H new ATOM 0 HB3 SER A 50 10.362 -0.318 1.714 1.00 0.00 H new ATOM 0 HG SER A 50 10.596 -1.743 3.527 1.00 0.00 H new ATOM 713 N LYS A 51 12.130 -1.962 0.371 1.00 0.00 N ATOM 714 CA LYS A 51 12.174 -2.874 -0.772 1.00 0.00 C ATOM 715 C LYS A 51 11.699 -2.206 -2.059 1.00 0.00 C ATOM 716 O LYS A 51 10.790 -1.375 -2.049 1.00 0.00 O ATOM 717 CB LYS A 51 11.355 -4.129 -0.473 1.00 0.00 C ATOM 718 CG LYS A 51 12.061 -5.114 0.444 1.00 0.00 C ATOM 719 CD LYS A 51 11.725 -4.855 1.905 1.00 0.00 C ATOM 720 CE LYS A 51 11.248 -6.119 2.602 1.00 0.00 C ATOM 721 NZ LYS A 51 10.423 -5.812 3.803 1.00 0.00 N ATOM 0 H LYS A 51 11.741 -2.375 1.219 1.00 0.00 H new ATOM 0 HA LYS A 51 13.214 -3.158 -0.930 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.409 -3.835 -0.017 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.115 -4.628 -1.412 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.773 -6.131 0.178 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.139 -5.040 0.299 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.605 -4.466 2.418 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.953 -4.089 1.971 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.665 -6.720 1.905 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.109 -6.718 2.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.117 -6.700 4.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.987 -5.260 4.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.588 -5.262 3.519 1.00 0.00 H new ATOM 735 N LYS A 52 12.342 -2.574 -3.164 1.00 0.00 N ATOM 736 CA LYS A 52 12.020 -2.018 -4.477 1.00 0.00 C ATOM 737 C LYS A 52 11.098 -2.960 -5.257 1.00 0.00 C ATOM 738 O LYS A 52 10.692 -4.001 -4.743 1.00 0.00 O ATOM 739 CB LYS A 52 13.310 -1.761 -5.268 1.00 0.00 C ATOM 740 CG LYS A 52 14.566 -1.712 -4.409 1.00 0.00 C ATOM 741 CD LYS A 52 15.658 -0.882 -5.065 1.00 0.00 C ATOM 742 CE LYS A 52 17.029 -1.226 -4.504 1.00 0.00 C ATOM 743 NZ LYS A 52 17.037 -1.224 -3.016 1.00 0.00 N ATOM 0 H LYS A 52 13.096 -3.261 -3.176 1.00 0.00 H new ATOM 0 HA LYS A 52 11.496 -1.073 -4.333 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.426 -2.544 -6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.213 -0.817 -5.805 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.324 -1.291 -3.433 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.931 -2.725 -4.238 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.650 -1.053 -6.141 1.00 0.00 H new ATOM 0 HD3 LYS A 52 15.455 0.178 -4.909 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.334 -2.207 -4.867 1.00 0.00 H new ATOM 0 HE3 LYS A 52 17.762 -0.508 -4.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 18.019 -1.226 -2.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.551 -0.373 -2.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.547 -2.071 -2.665 1.00 0.00 H new ATOM 757 N PRO A 53 10.750 -2.607 -6.512 1.00 0.00 N ATOM 758 CA PRO A 53 9.868 -3.429 -7.350 1.00 0.00 C ATOM 759 C PRO A 53 10.212 -4.915 -7.301 1.00 0.00 C ATOM 760 O PRO A 53 9.323 -5.765 -7.288 1.00 0.00 O ATOM 761 CB PRO A 53 10.108 -2.868 -8.749 1.00 0.00 C ATOM 762 CG PRO A 53 10.423 -1.433 -8.517 1.00 0.00 C ATOM 763 CD PRO A 53 11.181 -1.380 -7.215 1.00 0.00 C ATOM 0 HA PRO A 53 8.831 -3.380 -7.019 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.930 -3.381 -9.248 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.228 -2.985 -9.382 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.021 -1.028 -9.333 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.512 -0.837 -8.463 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.259 -1.369 -7.379 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.936 -0.484 -6.645 1.00 0.00 H new ATOM 771 N TYR A 54 11.507 -5.224 -7.275 1.00 0.00 N ATOM 772 CA TYR A 54 11.963 -6.612 -7.230 1.00 0.00 C ATOM 773 C TYR A 54 11.232 -7.400 -6.144 1.00 0.00 C ATOM 774 O TYR A 54 11.050 -8.611 -6.259 1.00 0.00 O ATOM 775 CB TYR A 54 13.471 -6.666 -6.985 1.00 0.00 C ATOM 776 CG TYR A 54 14.291 -6.489 -8.241 1.00 0.00 C ATOM 777 CD1 TYR A 54 13.973 -7.180 -9.403 1.00 0.00 C ATOM 778 CD2 TYR A 54 15.382 -5.630 -8.267 1.00 0.00 C ATOM 779 CE1 TYR A 54 14.719 -7.021 -10.555 1.00 0.00 C ATOM 780 CE2 TYR A 54 16.133 -5.464 -9.414 1.00 0.00 C ATOM 781 CZ TYR A 54 15.797 -6.163 -10.555 1.00 0.00 C ATOM 782 OH TYR A 54 16.544 -6.002 -11.701 1.00 0.00 O ATOM 0 H TYR A 54 12.258 -4.534 -7.284 1.00 0.00 H new ATOM 0 HA TYR A 54 11.738 -7.069 -8.194 1.00 0.00 H new ATOM 0 HB2 TYR A 54 13.743 -5.889 -6.270 1.00 0.00 H new ATOM 0 HB3 TYR A 54 13.723 -7.623 -6.528 1.00 0.00 H new ATOM 0 HD1 TYR A 54 13.128 -7.853 -9.406 1.00 0.00 H new ATOM 0 HD2 TYR A 54 15.648 -5.082 -7.375 1.00 0.00 H new ATOM 0 HE1 TYR A 54 14.459 -7.566 -11.450 1.00 0.00 H new ATOM 0 HE2 TYR A 54 16.978 -4.791 -9.418 1.00 0.00 H new ATOM 0 HH TYR A 54 17.267 -5.362 -11.533 1.00 0.00 H new ATOM 792 N GLU A 55 10.815 -6.702 -5.093 1.00 0.00 N ATOM 793 CA GLU A 55 10.102 -7.332 -3.986 1.00 0.00 C ATOM 794 C GLU A 55 8.880 -6.504 -3.601 1.00 0.00 C ATOM 795 O GLU A 55 7.745 -6.971 -3.689 1.00 0.00 O ATOM 796 CB GLU A 55 11.024 -7.499 -2.770 1.00 0.00 C ATOM 797 CG GLU A 55 12.500 -7.281 -3.074 1.00 0.00 C ATOM 798 CD GLU A 55 13.362 -7.284 -1.827 1.00 0.00 C ATOM 799 OE1 GLU A 55 12.891 -7.777 -0.780 1.00 0.00 O ATOM 800 OE2 GLU A 55 14.508 -6.792 -1.896 1.00 0.00 O ATOM 0 H GLU A 55 10.958 -5.698 -4.984 1.00 0.00 H new ATOM 0 HA GLU A 55 9.774 -8.319 -4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.716 -6.797 -1.995 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.892 -8.501 -2.363 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.846 -8.062 -3.752 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.623 -6.331 -3.593 1.00 0.00 H new ATOM 807 N GLU A 56 9.128 -5.270 -3.181 1.00 0.00 N ATOM 808 CA GLU A 56 8.062 -4.357 -2.785 1.00 0.00 C ATOM 809 C GLU A 56 7.448 -3.694 -4.021 1.00 0.00 C ATOM 810 O GLU A 56 8.015 -3.780 -5.109 1.00 0.00 O ATOM 811 CB GLU A 56 8.623 -3.319 -1.811 1.00 0.00 C ATOM 812 CG GLU A 56 8.105 -3.488 -0.391 1.00 0.00 C ATOM 813 CD GLU A 56 8.344 -2.264 0.471 1.00 0.00 C ATOM 814 OE1 GLU A 56 9.274 -1.491 0.158 1.00 0.00 O ATOM 815 OE2 GLU A 56 7.603 -2.079 1.459 1.00 0.00 O ATOM 0 H GLU A 56 10.066 -4.876 -3.105 1.00 0.00 H new ATOM 0 HA GLU A 56 7.269 -4.910 -2.282 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.711 -3.387 -1.804 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.368 -2.321 -2.167 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.037 -3.702 -0.422 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.590 -4.350 0.068 1.00 0.00 H new ATOM 822 N VAL A 57 6.286 -3.052 -3.871 1.00 0.00 N ATOM 823 CA VAL A 57 5.636 -2.415 -5.013 1.00 0.00 C ATOM 824 C VAL A 57 6.320 -1.100 -5.380 1.00 0.00 C ATOM 825 O VAL A 57 7.481 -0.873 -5.038 1.00 0.00 O ATOM 826 CB VAL A 57 4.110 -2.173 -4.795 1.00 0.00 C ATOM 827 CG1 VAL A 57 3.468 -3.319 -4.029 1.00 0.00 C ATOM 828 CG2 VAL A 57 3.836 -0.834 -4.106 1.00 0.00 C ATOM 0 H VAL A 57 5.786 -2.962 -2.987 1.00 0.00 H new ATOM 0 HA VAL A 57 5.739 -3.118 -5.839 1.00 0.00 H new ATOM 0 HB VAL A 57 3.653 -2.132 -5.784 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.405 -3.117 -3.895 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.594 -4.246 -4.588 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.944 -3.417 -3.053 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.762 -0.706 -3.974 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.326 -0.819 -3.132 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.225 -0.022 -4.721 1.00 0.00 H new ATOM 838 N THR A 58 5.586 -0.239 -6.073 1.00 0.00 N ATOM 839 CA THR A 58 6.101 1.055 -6.490 1.00 0.00 C ATOM 840 C THR A 58 5.474 2.174 -5.665 1.00 0.00 C ATOM 841 O THR A 58 4.297 2.118 -5.313 1.00 0.00 O ATOM 842 CB THR A 58 5.823 1.282 -7.977 1.00 0.00 C ATOM 843 OG1 THR A 58 6.198 2.591 -8.363 1.00 0.00 O ATOM 844 CG2 THR A 58 4.366 1.093 -8.348 1.00 0.00 C ATOM 0 H THR A 58 4.623 -0.418 -6.359 1.00 0.00 H new ATOM 0 HA THR A 58 7.179 1.064 -6.326 1.00 0.00 H new ATOM 0 HB THR A 58 6.416 0.532 -8.500 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.014 2.716 -9.317 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.237 1.269 -9.416 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.058 0.075 -8.108 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.753 1.799 -7.788 1.00 0.00 H new ATOM 852 N CYS A 59 6.274 3.188 -5.365 1.00 0.00 N ATOM 853 CA CYS A 59 5.818 4.333 -4.582 1.00 0.00 C ATOM 854 C CYS A 59 4.502 4.888 -5.124 1.00 0.00 C ATOM 855 O CYS A 59 4.377 5.170 -6.316 1.00 0.00 O ATOM 856 CB CYS A 59 6.892 5.425 -4.606 1.00 0.00 C ATOM 857 SG CYS A 59 7.318 6.123 -2.977 1.00 0.00 S ATOM 0 H CYS A 59 7.251 3.242 -5.654 1.00 0.00 H new ATOM 0 HA CYS A 59 5.646 4.003 -3.557 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.796 5.015 -5.056 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.552 6.234 -5.253 1.00 0.00 H new ATOM 862 N CYS A 60 3.529 5.050 -4.229 1.00 0.00 N ATOM 863 CA CYS A 60 2.217 5.583 -4.589 1.00 0.00 C ATOM 864 C CYS A 60 2.348 6.778 -5.534 1.00 0.00 C ATOM 865 O CYS A 60 1.872 6.739 -6.669 1.00 0.00 O ATOM 866 CB CYS A 60 1.463 5.997 -3.322 1.00 0.00 C ATOM 867 SG CYS A 60 1.222 4.644 -2.123 1.00 0.00 S ATOM 0 H CYS A 60 3.627 4.817 -3.241 1.00 0.00 H new ATOM 0 HA CYS A 60 1.659 4.803 -5.107 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.008 6.806 -2.836 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.489 6.395 -3.606 1.00 0.00 H new ATOM 872 N SER A 61 3.005 7.831 -5.059 1.00 0.00 N ATOM 873 CA SER A 61 3.215 9.037 -5.857 1.00 0.00 C ATOM 874 C SER A 61 1.925 9.494 -6.537 1.00 0.00 C ATOM 875 O SER A 61 1.962 10.115 -7.600 1.00 0.00 O ATOM 876 CB SER A 61 4.301 8.792 -6.907 1.00 0.00 C ATOM 877 OG SER A 61 5.515 9.427 -6.545 1.00 0.00 O ATOM 0 H SER A 61 3.403 7.875 -4.121 1.00 0.00 H new ATOM 0 HA SER A 61 3.536 9.830 -5.181 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.467 7.721 -7.019 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.966 9.166 -7.875 1.00 0.00 H new ATOM 0 HG SER A 61 6.192 9.253 -7.232 1.00 0.00 H new ATOM 883 N THR A 62 0.789 9.187 -5.922 1.00 0.00 N ATOM 884 CA THR A 62 -0.504 9.574 -6.476 1.00 0.00 C ATOM 885 C THR A 62 -1.603 9.470 -5.420 1.00 0.00 C ATOM 886 O THR A 62 -1.937 10.457 -4.765 1.00 0.00 O ATOM 887 CB THR A 62 -0.842 8.707 -7.693 1.00 0.00 C ATOM 888 OG1 THR A 62 0.108 8.902 -8.726 1.00 0.00 O ATOM 889 CG2 THR A 62 -2.211 8.990 -8.274 1.00 0.00 C ATOM 0 H THR A 62 0.736 8.673 -5.043 1.00 0.00 H new ATOM 0 HA THR A 62 -0.442 10.614 -6.796 1.00 0.00 H new ATOM 0 HB THR A 62 -0.827 7.681 -7.326 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.622 9.717 -8.548 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.383 8.341 -9.132 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.973 8.802 -7.518 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.264 10.032 -8.591 1.00 0.00 H new ATOM 897 N ASP A 63 -2.162 8.273 -5.256 1.00 0.00 N ATOM 898 CA ASP A 63 -3.221 8.054 -4.276 1.00 0.00 C ATOM 899 C ASP A 63 -3.708 6.610 -4.310 1.00 0.00 C ATOM 900 O ASP A 63 -3.556 5.913 -5.312 1.00 0.00 O ATOM 901 CB ASP A 63 -4.395 9.002 -4.533 1.00 0.00 C ATOM 902 CG ASP A 63 -4.924 8.898 -5.950 1.00 0.00 C ATOM 903 OD1 ASP A 63 -5.802 8.043 -6.194 1.00 0.00 O ATOM 904 OD2 ASP A 63 -4.462 9.671 -6.814 1.00 0.00 O ATOM 0 H ASP A 63 -1.900 7.443 -5.788 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.807 8.258 -3.288 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -5.199 8.779 -3.831 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.079 10.027 -4.341 1.00 0.00 H new ATOM 909 N LYS A 64 -4.299 6.176 -3.200 1.00 0.00 N ATOM 910 CA LYS A 64 -4.827 4.816 -3.073 1.00 0.00 C ATOM 911 C LYS A 64 -3.727 3.794 -3.082 1.00 0.00 C ATOM 912 O LYS A 64 -3.553 3.074 -2.106 1.00 0.00 O ATOM 913 CB LYS A 64 -5.823 4.503 -4.189 1.00 0.00 C ATOM 914 CG LYS A 64 -7.263 4.847 -3.849 1.00 0.00 C ATOM 915 CD LYS A 64 -8.235 4.222 -4.838 1.00 0.00 C ATOM 916 CE LYS A 64 -8.205 2.704 -4.768 1.00 0.00 C ATOM 917 NZ LYS A 64 -8.393 2.207 -3.376 1.00 0.00 N ATOM 0 H LYS A 64 -4.426 6.751 -2.367 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.342 4.766 -2.113 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.532 5.050 -5.085 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.761 3.442 -4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.493 4.499 -2.842 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.389 5.930 -3.849 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.245 4.577 -4.630 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.985 4.545 -5.849 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.987 2.296 -5.408 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.254 2.342 -5.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.569 1.182 -3.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.536 2.401 -2.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.205 2.690 -2.942 1.00 0.00 H new ATOM 931 N CYS A 65 -2.988 3.701 -4.170 1.00 0.00 N ATOM 932 CA CYS A 65 -1.921 2.727 -4.232 1.00 0.00 C ATOM 933 C CYS A 65 -2.513 1.319 -4.371 1.00 0.00 C ATOM 934 O CYS A 65 -2.216 0.620 -5.338 1.00 0.00 O ATOM 935 CB CYS A 65 -1.079 2.857 -2.969 1.00 0.00 C ATOM 936 SG CYS A 65 0.710 3.043 -3.266 1.00 0.00 S ATOM 0 H CYS A 65 -3.104 4.275 -5.005 1.00 0.00 H new ATOM 0 HA CYS A 65 -1.286 2.904 -5.100 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.431 3.718 -2.400 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.241 1.976 -2.348 1.00 0.00 H new ATOM 941 N ASN A 66 -3.381 0.928 -3.413 1.00 0.00 N ATOM 942 CA ASN A 66 -4.065 -0.376 -3.436 1.00 0.00 C ATOM 943 C ASN A 66 -3.327 -1.452 -2.637 1.00 0.00 C ATOM 944 O ASN A 66 -2.121 -1.642 -2.794 1.00 0.00 O ATOM 945 CB ASN A 66 -4.289 -0.867 -4.871 1.00 0.00 C ATOM 946 CG ASN A 66 -4.995 0.161 -5.736 1.00 0.00 C ATOM 947 OD1 ASN A 66 -4.356 0.964 -6.415 1.00 0.00 O ATOM 948 ND2 ASN A 66 -6.322 0.138 -5.716 1.00 0.00 N ATOM 0 H ASN A 66 -3.624 1.506 -2.608 1.00 0.00 H new ATOM 0 HA ASN A 66 -5.030 -0.210 -2.956 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.328 -1.116 -5.320 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.878 -1.784 -4.850 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.852 0.804 -6.278 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.812 -0.545 -5.138 1.00 0.00 H new ATOM 955 N PRO A 67 -4.065 -2.182 -1.772 1.00 0.00 N ATOM 956 CA PRO A 67 -3.520 -3.254 -0.950 1.00 0.00 C ATOM 957 C PRO A 67 -3.702 -4.624 -1.605 1.00 0.00 C ATOM 958 O PRO A 67 -4.550 -5.413 -1.187 1.00 0.00 O ATOM 959 CB PRO A 67 -4.385 -3.145 0.299 1.00 0.00 C ATOM 960 CG PRO A 67 -5.736 -2.777 -0.225 1.00 0.00 C ATOM 961 CD PRO A 67 -5.513 -2.030 -1.524 1.00 0.00 C ATOM 0 HA PRO A 67 -2.448 -3.165 -0.776 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.413 -4.086 0.848 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.003 -2.388 0.984 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.342 -3.668 -0.390 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -6.272 -2.155 0.492 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.105 -2.453 -2.336 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -5.796 -0.981 -1.436 1.00 0.00 H new ATOM 969 N HIS A 68 -2.909 -4.895 -2.637 1.00 0.00 N ATOM 970 CA HIS A 68 -2.985 -6.164 -3.360 1.00 0.00 C ATOM 971 C HIS A 68 -4.435 -6.570 -3.642 1.00 0.00 C ATOM 972 O HIS A 68 -4.925 -7.562 -3.104 1.00 0.00 O ATOM 973 CB HIS A 68 -2.284 -7.265 -2.569 1.00 0.00 C ATOM 974 CG HIS A 68 -1.585 -8.269 -3.433 1.00 0.00 C ATOM 975 ND1 HIS A 68 -0.794 -7.916 -4.507 1.00 0.00 N ATOM 976 CD2 HIS A 68 -1.562 -9.621 -3.379 1.00 0.00 C ATOM 977 CE1 HIS A 68 -0.318 -9.009 -5.078 1.00 0.00 C ATOM 978 NE2 HIS A 68 -0.767 -10.056 -4.412 1.00 0.00 N ATOM 0 H HIS A 68 -2.203 -4.251 -2.994 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.482 -6.027 -4.317 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.559 -6.811 -1.894 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -3.018 -7.780 -1.949 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -2.073 -10.242 -2.658 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.328 -9.040 -5.943 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -0.558 -11.030 -4.629 1.00 0.00 H new ATOM 987 N PRO A 69 -5.142 -5.805 -4.494 1.00 0.00 N ATOM 988 CA PRO A 69 -6.538 -6.095 -4.842 1.00 0.00 C ATOM 989 C PRO A 69 -6.675 -7.385 -5.641 1.00 0.00 C ATOM 990 O PRO A 69 -7.647 -8.125 -5.483 1.00 0.00 O ATOM 991 CB PRO A 69 -6.964 -4.894 -5.699 1.00 0.00 C ATOM 992 CG PRO A 69 -5.912 -3.859 -5.486 1.00 0.00 C ATOM 993 CD PRO A 69 -4.647 -4.607 -5.182 1.00 0.00 C ATOM 0 HA PRO A 69 -7.152 -6.235 -3.953 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -7.037 -5.169 -6.751 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -7.944 -4.525 -5.398 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.793 -3.236 -6.373 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.179 -3.195 -4.664 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.097 -4.858 -6.089 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.974 -4.026 -4.551 1.00 0.00 H new ATOM 1001 N LYS A 70 -5.699 -7.647 -6.502 1.00 0.00 N ATOM 1002 CA LYS A 70 -5.710 -8.845 -7.333 1.00 0.00 C ATOM 1003 C LYS A 70 -6.908 -8.834 -8.279 1.00 0.00 C ATOM 1004 O LYS A 70 -7.735 -9.746 -8.263 1.00 0.00 O ATOM 1005 CB LYS A 70 -5.738 -10.100 -6.456 1.00 0.00 C ATOM 1006 CG LYS A 70 -5.534 -11.396 -7.228 1.00 0.00 C ATOM 1007 CD LYS A 70 -4.294 -11.342 -8.110 1.00 0.00 C ATOM 1008 CE LYS A 70 -3.026 -11.165 -7.289 1.00 0.00 C ATOM 1009 NZ LYS A 70 -2.445 -12.471 -6.874 1.00 0.00 N ATOM 0 H LYS A 70 -4.888 -7.045 -6.643 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.799 -8.856 -7.932 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.963 -10.016 -5.694 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.694 -10.146 -5.934 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.445 -12.226 -6.527 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.410 -11.593 -7.845 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.224 -12.259 -8.695 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.387 -10.519 -8.818 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.291 -10.610 -7.872 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.247 -10.569 -6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.583 -12.306 -6.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.136 -12.991 -6.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.210 -13.030 -7.719 1.00 0.00 H new ATOM 1023 N GLN A 71 -6.995 -7.791 -9.099 1.00 0.00 N ATOM 1024 CA GLN A 71 -8.090 -7.652 -10.052 1.00 0.00 C ATOM 1025 C GLN A 71 -8.160 -8.856 -10.987 1.00 0.00 C ATOM 1026 O GLN A 71 -7.185 -9.189 -11.660 1.00 0.00 O ATOM 1027 CB GLN A 71 -7.923 -6.370 -10.867 1.00 0.00 C ATOM 1028 CG GLN A 71 -6.504 -6.151 -11.369 1.00 0.00 C ATOM 1029 CD GLN A 71 -6.452 -5.813 -12.846 1.00 0.00 C ATOM 1030 OE1 GLN A 71 -7.439 -5.356 -13.425 1.00 0.00 O ATOM 1031 NE2 GLN A 71 -5.298 -6.034 -13.463 1.00 0.00 N ATOM 0 H GLN A 71 -6.318 -7.028 -9.122 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.022 -7.600 -9.489 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.601 -6.400 -11.720 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.219 -5.518 -10.254 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.042 -5.345 -10.799 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.915 -7.050 -11.185 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -4.507 -6.414 -12.944 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.203 -5.824 -14.457 1.00 0.00 H new ATOM 1040 N ARG A 72 -9.321 -9.501 -11.026 1.00 0.00 N ATOM 1041 CA ARG A 72 -9.521 -10.666 -11.880 1.00 0.00 C ATOM 1042 C ARG A 72 -9.301 -10.308 -13.349 1.00 0.00 C ATOM 1043 O ARG A 72 -9.400 -9.142 -13.733 1.00 0.00 O ATOM 1044 CB ARG A 72 -10.930 -11.232 -11.688 1.00 0.00 C ATOM 1045 CG ARG A 72 -12.014 -10.166 -11.631 1.00 0.00 C ATOM 1046 CD ARG A 72 -12.523 -9.961 -10.213 1.00 0.00 C ATOM 1047 NE ARG A 72 -13.354 -11.076 -9.763 1.00 0.00 N ATOM 1048 CZ ARG A 72 -14.635 -11.227 -10.094 1.00 0.00 C ATOM 1049 NH1 ARG A 72 -15.235 -10.338 -10.876 1.00 0.00 N ATOM 1050 NH2 ARG A 72 -15.316 -12.270 -9.642 1.00 0.00 N ATOM 0 H ARG A 72 -10.138 -9.237 -10.476 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.791 -11.423 -11.594 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -11.151 -11.919 -12.505 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -10.956 -11.814 -10.767 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.621 -9.225 -12.017 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -12.843 -10.454 -12.278 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.676 -9.844 -9.537 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -13.099 -9.037 -10.165 1.00 0.00 H new ATOM 0 HE ARG A 72 -12.928 -11.780 -9.160 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -14.715 -9.534 -11.227 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -16.216 -10.459 -11.126 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -14.859 -12.956 -9.041 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -16.297 -12.387 -9.895 1.00 0.00 H new ATOM 1064 N PRO A 73 -8.998 -11.310 -14.192 1.00 0.00 N ATOM 1065 CA PRO A 73 -8.763 -11.094 -15.624 1.00 0.00 C ATOM 1066 C PRO A 73 -9.991 -10.533 -16.334 1.00 0.00 C ATOM 1067 O PRO A 73 -11.121 -10.723 -15.884 1.00 0.00 O ATOM 1068 CB PRO A 73 -8.429 -12.494 -16.156 1.00 0.00 C ATOM 1069 CG PRO A 73 -8.976 -13.436 -15.139 1.00 0.00 C ATOM 1070 CD PRO A 73 -8.861 -12.728 -13.820 1.00 0.00 C ATOM 0 HA PRO A 73 -7.973 -10.363 -15.797 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -8.881 -12.663 -17.133 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.353 -12.624 -16.276 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -10.014 -13.688 -15.358 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.416 -14.371 -15.131 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.641 -13.040 -13.125 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.905 -12.928 -13.337 1.00 0.00 H new ATOM 1078 N GLY A 74 -9.762 -9.842 -17.445 1.00 0.00 N ATOM 1079 CA GLY A 74 -10.859 -9.263 -18.199 1.00 0.00 C ATOM 1080 C GLY A 74 -11.857 -10.305 -18.665 1.00 0.00 C ATOM 1081 O GLY A 74 -11.450 -11.233 -19.396 1.00 0.00 O ATOM 1082 OXT GLY A 74 -13.046 -10.195 -18.298 1.00 0.00 O ATOM 0 H GLY A 74 -8.836 -9.672 -17.837 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.371 -8.525 -17.581 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.461 -8.733 -19.064 1.00 0.00 H new TER 1086 GLY A 74