USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 625 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 55 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 57 SER OG : rot -71:sc= 0 USER MOD Set 2.1: A 25 ASN : amide:sc= -1.62 K(o=-3.3,f=-7.2!) USER MOD Set 2.2: A 29 LYS NZ :NH3+ 151:sc= -1.7 (180deg=-0.861) USER MOD Set 3.1: A 7 THR OG1 : rot 118:sc= 0.0244 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.537 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.0161) USER MOD Single : A 2 GLN : amide:sc= -0.0214 X(o=-0.021,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.464) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -74:sc= 1.57 USER MOD Single : A 20 SER OG : rot -60:sc= 1.04 USER MOD Single : A 22 THR OG1 : rot -169:sc= -0.21 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.1) USER MOD Single : A 33 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0897) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.231! C(o=-0.23!,f=-6.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -1! K(o=-1!,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 97:sc= 1.27 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00648 X(o=-0.0065,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 49.949 -11.114 -0.027 1.00 0.00 N ATOM 2 CA MET A 1 51.380 -11.326 0.334 1.00 0.00 C ATOM 3 C MET A 1 52.050 -9.975 0.565 1.00 0.00 C ATOM 4 O MET A 1 51.996 -9.091 -0.291 1.00 0.00 O ATOM 5 CB MET A 1 52.084 -12.071 -0.802 1.00 0.00 C ATOM 6 CG MET A 1 51.725 -13.556 -0.739 1.00 0.00 C ATOM 7 SD MET A 1 51.488 -14.191 -2.417 1.00 0.00 S ATOM 8 CE MET A 1 49.680 -14.108 -2.437 1.00 0.00 C ATOM 0 H1 MET A 1 49.450 -12.026 -0.019 1.00 0.00 H new ATOM 0 H2 MET A 1 49.508 -10.472 0.663 1.00 0.00 H new ATOM 0 H3 MET A 1 49.889 -10.695 -0.977 1.00 0.00 H new ATOM 0 HA MET A 1 51.446 -11.918 1.247 1.00 0.00 H new ATOM 0 HB2 MET A 1 51.785 -11.654 -1.764 1.00 0.00 H new ATOM 0 HB3 MET A 1 53.163 -11.943 -0.721 1.00 0.00 H new ATOM 0 HG2 MET A 1 52.517 -14.112 -0.237 1.00 0.00 H new ATOM 0 HG3 MET A 1 50.816 -13.697 -0.154 1.00 0.00 H new ATOM 0 HE1 MET A 1 49.310 -14.461 -3.400 1.00 0.00 H new ATOM 0 HE2 MET A 1 49.278 -14.736 -1.642 1.00 0.00 H new ATOM 0 HE3 MET A 1 49.361 -13.077 -2.281 1.00 0.00 H new ATOM 20 N GLN A 2 52.678 -9.823 1.726 1.00 0.00 N ATOM 21 CA GLN A 2 53.355 -8.575 2.058 1.00 0.00 C ATOM 22 C GLN A 2 54.701 -8.855 2.717 1.00 0.00 C ATOM 23 O GLN A 2 54.906 -9.918 3.303 1.00 0.00 O ATOM 24 CB GLN A 2 52.485 -7.746 3.005 1.00 0.00 C ATOM 25 CG GLN A 2 51.560 -6.838 2.189 1.00 0.00 C ATOM 26 CD GLN A 2 50.411 -6.347 3.062 1.00 0.00 C ATOM 27 OE1 GLN A 2 49.531 -7.125 3.428 1.00 0.00 O ATOM 28 NE2 GLN A 2 50.370 -5.093 3.422 1.00 0.00 N ATOM 0 H GLN A 2 52.732 -10.542 2.447 1.00 0.00 H new ATOM 0 HA GLN A 2 53.523 -8.018 1.136 1.00 0.00 H new ATOM 0 HB2 GLN A 2 51.895 -8.404 3.643 1.00 0.00 H new ATOM 0 HB3 GLN A 2 53.114 -7.145 3.662 1.00 0.00 H new ATOM 0 HG2 GLN A 2 52.121 -5.988 1.800 1.00 0.00 H new ATOM 0 HG3 GLN A 2 51.168 -7.382 1.329 1.00 0.00 H new ATOM 0 HE21 GLN A 2 51.101 -4.451 3.117 1.00 0.00 H new ATOM 0 HE22 GLN A 2 49.607 -4.755 4.009 1.00 0.00 H new ATOM 37 N ILE A 3 55.612 -7.892 2.617 1.00 0.00 N ATOM 38 CA ILE A 3 56.940 -8.038 3.206 1.00 0.00 C ATOM 39 C ILE A 3 57.268 -6.841 4.094 1.00 0.00 C ATOM 40 O ILE A 3 56.516 -5.866 4.136 1.00 0.00 O ATOM 41 CB ILE A 3 57.991 -8.163 2.103 1.00 0.00 C ATOM 42 CG1 ILE A 3 57.801 -7.039 1.084 1.00 0.00 C ATOM 43 CG2 ILE A 3 57.836 -9.514 1.403 1.00 0.00 C ATOM 44 CD1 ILE A 3 59.120 -6.791 0.354 1.00 0.00 C ATOM 0 H ILE A 3 55.457 -7.006 2.136 1.00 0.00 H new ATOM 0 HA ILE A 3 56.948 -8.941 3.817 1.00 0.00 H new ATOM 0 HB ILE A 3 58.986 -8.091 2.542 1.00 0.00 H new ATOM 0 HG12 ILE A 3 57.022 -7.307 0.370 1.00 0.00 H new ATOM 0 HG13 ILE A 3 57.473 -6.129 1.586 1.00 0.00 H new ATOM 0 HG21 ILE A 3 58.585 -9.604 0.616 1.00 0.00 H new ATOM 0 HG22 ILE A 3 57.972 -10.317 2.127 1.00 0.00 H new ATOM 0 HG23 ILE A 3 56.840 -9.585 0.966 1.00 0.00 H new ATOM 0 HD11 ILE A 3 58.988 -5.990 -0.373 1.00 0.00 H new ATOM 0 HD12 ILE A 3 59.886 -6.504 1.074 1.00 0.00 H new ATOM 0 HD13 ILE A 3 59.428 -7.701 -0.160 1.00 0.00 H new ATOM 56 N PHE A 4 58.393 -6.925 4.798 1.00 0.00 N ATOM 57 CA PHE A 4 58.818 -5.847 5.687 1.00 0.00 C ATOM 58 C PHE A 4 60.229 -5.385 5.334 1.00 0.00 C ATOM 59 O PHE A 4 61.110 -6.204 5.078 1.00 0.00 O ATOM 60 CB PHE A 4 58.790 -6.328 7.139 1.00 0.00 C ATOM 61 CG PHE A 4 57.369 -6.643 7.539 1.00 0.00 C ATOM 62 CD1 PHE A 4 56.931 -7.972 7.568 1.00 0.00 C ATOM 63 CD2 PHE A 4 56.491 -5.608 7.885 1.00 0.00 C ATOM 64 CE1 PHE A 4 55.613 -8.267 7.941 1.00 0.00 C ATOM 65 CE2 PHE A 4 55.175 -5.903 8.258 1.00 0.00 C ATOM 66 CZ PHE A 4 54.735 -7.232 8.285 1.00 0.00 C ATOM 0 H PHE A 4 59.025 -7.725 4.771 1.00 0.00 H new ATOM 0 HA PHE A 4 58.131 -5.010 5.565 1.00 0.00 H new ATOM 0 HB2 PHE A 4 59.415 -7.214 7.252 1.00 0.00 H new ATOM 0 HB3 PHE A 4 59.202 -5.561 7.795 1.00 0.00 H new ATOM 0 HD1 PHE A 4 57.609 -8.770 7.303 1.00 0.00 H new ATOM 0 HD2 PHE A 4 56.830 -4.583 7.864 1.00 0.00 H new ATOM 0 HE1 PHE A 4 55.274 -9.292 7.963 1.00 0.00 H new ATOM 0 HE2 PHE A 4 54.498 -5.105 8.525 1.00 0.00 H new ATOM 0 HZ PHE A 4 53.719 -7.459 8.571 1.00 0.00 H new ATOM 76 N VAL A 5 60.431 -4.069 5.326 1.00 0.00 N ATOM 77 CA VAL A 5 61.738 -3.503 5.009 1.00 0.00 C ATOM 78 C VAL A 5 62.227 -2.614 6.147 1.00 0.00 C ATOM 79 O VAL A 5 61.619 -1.589 6.449 1.00 0.00 O ATOM 80 CB VAL A 5 61.653 -2.684 3.719 1.00 0.00 C ATOM 81 CG1 VAL A 5 62.979 -1.956 3.489 1.00 0.00 C ATOM 82 CG2 VAL A 5 61.374 -3.618 2.541 1.00 0.00 C ATOM 0 H VAL A 5 59.710 -3.379 5.534 1.00 0.00 H new ATOM 0 HA VAL A 5 62.445 -4.322 4.874 1.00 0.00 H new ATOM 0 HB VAL A 5 60.848 -1.954 3.804 1.00 0.00 H new ATOM 0 HG11 VAL A 5 62.919 -1.372 2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 5 63.179 -1.291 4.329 1.00 0.00 H new ATOM 0 HG13 VAL A 5 63.784 -2.685 3.404 1.00 0.00 H new ATOM 0 HG21 VAL A 5 61.313 -3.036 1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 5 62.180 -4.347 2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 5 60.430 -4.138 2.704 1.00 0.00 H new ATOM 92 N LYS A 6 63.331 -3.011 6.770 1.00 0.00 N ATOM 93 CA LYS A 6 63.895 -2.241 7.872 1.00 0.00 C ATOM 94 C LYS A 6 65.040 -1.364 7.379 1.00 0.00 C ATOM 95 O LYS A 6 65.868 -1.802 6.579 1.00 0.00 O ATOM 96 CB LYS A 6 64.404 -3.182 8.964 1.00 0.00 C ATOM 97 CG LYS A 6 64.969 -2.361 10.126 1.00 0.00 C ATOM 98 CD LYS A 6 65.115 -3.254 11.359 1.00 0.00 C ATOM 99 CE LYS A 6 65.894 -2.507 12.443 1.00 0.00 C ATOM 100 NZ LYS A 6 67.288 -3.026 12.502 1.00 0.00 N ATOM 0 H LYS A 6 63.850 -3.856 6.533 1.00 0.00 H new ATOM 0 HA LYS A 6 63.112 -1.603 8.282 1.00 0.00 H new ATOM 0 HB2 LYS A 6 63.593 -3.819 9.316 1.00 0.00 H new ATOM 0 HB3 LYS A 6 65.174 -3.840 8.562 1.00 0.00 H new ATOM 0 HG2 LYS A 6 65.937 -1.941 9.852 1.00 0.00 H new ATOM 0 HG3 LYS A 6 64.309 -1.522 10.347 1.00 0.00 H new ATOM 0 HD2 LYS A 6 64.132 -3.538 11.734 1.00 0.00 H new ATOM 0 HD3 LYS A 6 65.633 -4.176 11.094 1.00 0.00 H new ATOM 0 HE2 LYS A 6 65.902 -1.438 12.229 1.00 0.00 H new ATOM 0 HE3 LYS A 6 65.406 -2.635 13.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 67.817 -2.518 13.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 67.271 -4.041 12.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 67.751 -2.882 11.582 1.00 0.00 H new ATOM 114 N THR A 7 65.077 -0.123 7.854 1.00 0.00 N ATOM 115 CA THR A 7 66.124 0.811 7.451 1.00 0.00 C ATOM 116 C THR A 7 67.143 1.001 8.570 1.00 0.00 C ATOM 117 O THR A 7 66.865 0.716 9.735 1.00 0.00 O ATOM 118 CB THR A 7 65.504 2.162 7.090 1.00 0.00 C ATOM 119 OG1 THR A 7 64.897 2.727 8.244 1.00 0.00 O ATOM 120 CG2 THR A 7 64.450 1.966 5.999 1.00 0.00 C ATOM 0 H THR A 7 64.399 0.258 8.514 1.00 0.00 H new ATOM 0 HA THR A 7 66.635 0.397 6.581 1.00 0.00 H new ATOM 0 HB THR A 7 66.281 2.833 6.724 1.00 0.00 H new ATOM 0 HG1 THR A 7 65.342 3.571 8.468 1.00 0.00 H new ATOM 0 HG21 THR A 7 64.009 2.929 5.742 1.00 0.00 H new ATOM 0 HG22 THR A 7 64.918 1.534 5.114 1.00 0.00 H new ATOM 0 HG23 THR A 7 63.671 1.295 6.362 1.00 0.00 H new ATOM 128 N LEU A 8 68.325 1.487 8.204 1.00 0.00 N ATOM 129 CA LEU A 8 69.385 1.717 9.179 1.00 0.00 C ATOM 130 C LEU A 8 68.916 2.703 10.248 1.00 0.00 C ATOM 131 O LEU A 8 69.468 2.755 11.347 1.00 0.00 O ATOM 132 CB LEU A 8 70.646 2.221 8.447 1.00 0.00 C ATOM 133 CG LEU A 8 70.855 3.735 8.636 1.00 0.00 C ATOM 134 CD1 LEU A 8 71.411 4.039 10.036 1.00 0.00 C ATOM 135 CD2 LEU A 8 71.854 4.228 7.590 1.00 0.00 C ATOM 0 H LEU A 8 68.572 1.728 7.244 1.00 0.00 H new ATOM 0 HA LEU A 8 69.633 0.785 9.687 1.00 0.00 H new ATOM 0 HB2 LEU A 8 71.520 1.685 8.818 1.00 0.00 H new ATOM 0 HB3 LEU A 8 70.562 1.996 7.384 1.00 0.00 H new ATOM 0 HG LEU A 8 69.895 4.240 8.523 1.00 0.00 H new ATOM 0 HD11 LEU A 8 71.551 5.114 10.146 1.00 0.00 H new ATOM 0 HD12 LEU A 8 70.709 3.685 10.791 1.00 0.00 H new ATOM 0 HD13 LEU A 8 72.368 3.534 10.165 1.00 0.00 H new ATOM 0 HD21 LEU A 8 72.011 5.300 7.713 1.00 0.00 H new ATOM 0 HD22 LEU A 8 72.802 3.706 7.718 1.00 0.00 H new ATOM 0 HD23 LEU A 8 71.463 4.031 6.592 1.00 0.00 H new ATOM 147 N THR A 9 67.884 3.475 9.921 1.00 0.00 N ATOM 148 CA THR A 9 67.345 4.451 10.862 1.00 0.00 C ATOM 149 C THR A 9 66.187 3.852 11.653 1.00 0.00 C ATOM 150 O THR A 9 65.366 4.576 12.218 1.00 0.00 O ATOM 151 CB THR A 9 66.856 5.689 10.104 1.00 0.00 C ATOM 152 OG1 THR A 9 66.293 5.289 8.863 1.00 0.00 O ATOM 153 CG2 THR A 9 68.031 6.634 9.851 1.00 0.00 C ATOM 0 H THR A 9 67.408 3.445 9.020 1.00 0.00 H new ATOM 0 HA THR A 9 68.137 4.734 11.556 1.00 0.00 H new ATOM 0 HB THR A 9 66.101 6.204 10.698 1.00 0.00 H new ATOM 0 HG1 THR A 9 65.978 6.079 8.377 1.00 0.00 H new ATOM 0 HG21 THR A 9 67.681 7.514 9.312 1.00 0.00 H new ATOM 0 HG22 THR A 9 68.463 6.941 10.804 1.00 0.00 H new ATOM 0 HG23 THR A 9 68.788 6.122 9.257 1.00 0.00 H new ATOM 161 N GLY A 10 66.128 2.525 11.693 1.00 0.00 N ATOM 162 CA GLY A 10 65.066 1.841 12.422 1.00 0.00 C ATOM 163 C GLY A 10 63.695 2.275 11.916 1.00 0.00 C ATOM 164 O GLY A 10 63.036 3.120 12.524 1.00 0.00 O ATOM 0 H GLY A 10 66.796 1.906 11.234 1.00 0.00 H new ATOM 0 HA2 GLY A 10 65.176 0.763 12.307 1.00 0.00 H new ATOM 0 HA3 GLY A 10 65.151 2.059 13.487 1.00 0.00 H new ATOM 168 N LYS A 11 63.273 1.695 10.798 1.00 0.00 N ATOM 169 CA LYS A 11 61.981 2.029 10.214 1.00 0.00 C ATOM 170 C LYS A 11 61.463 0.869 9.371 1.00 0.00 C ATOM 171 O LYS A 11 61.876 0.688 8.225 1.00 0.00 O ATOM 172 CB LYS A 11 62.112 3.281 9.344 1.00 0.00 C ATOM 173 CG LYS A 11 60.731 3.889 9.097 1.00 0.00 C ATOM 174 CD LYS A 11 60.882 5.196 8.315 1.00 0.00 C ATOM 175 CE LYS A 11 59.687 5.371 7.377 1.00 0.00 C ATOM 176 NZ LYS A 11 58.422 5.217 8.147 1.00 0.00 N ATOM 0 H LYS A 11 63.804 0.995 10.281 1.00 0.00 H new ATOM 0 HA LYS A 11 61.273 2.221 11.020 1.00 0.00 H new ATOM 0 HB2 LYS A 11 62.757 4.010 9.835 1.00 0.00 H new ATOM 0 HB3 LYS A 11 62.582 3.027 8.394 1.00 0.00 H new ATOM 0 HG2 LYS A 11 60.108 3.189 8.540 1.00 0.00 H new ATOM 0 HG3 LYS A 11 60.229 4.076 10.046 1.00 0.00 H new ATOM 0 HD2 LYS A 11 60.944 6.039 9.003 1.00 0.00 H new ATOM 0 HD3 LYS A 11 61.809 5.184 7.742 1.00 0.00 H new ATOM 0 HE2 LYS A 11 59.721 6.354 6.907 1.00 0.00 H new ATOM 0 HE3 LYS A 11 59.729 4.633 6.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 57.640 5.656 7.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 58.221 4.206 8.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 58.520 5.681 9.072 1.00 0.00 H new ATOM 190 N THR A 12 60.561 0.080 9.947 1.00 0.00 N ATOM 191 CA THR A 12 60.000 -1.064 9.240 1.00 0.00 C ATOM 192 C THR A 12 58.863 -0.628 8.323 1.00 0.00 C ATOM 193 O THR A 12 57.830 -0.145 8.785 1.00 0.00 O ATOM 194 CB THR A 12 59.481 -2.096 10.244 1.00 0.00 C ATOM 195 OG1 THR A 12 60.526 -2.449 11.140 1.00 0.00 O ATOM 196 CG2 THR A 12 59.002 -3.343 9.498 1.00 0.00 C ATOM 0 H THR A 12 60.206 0.211 10.894 1.00 0.00 H new ATOM 0 HA THR A 12 60.788 -1.510 8.633 1.00 0.00 H new ATOM 0 HB THR A 12 58.649 -1.671 10.805 1.00 0.00 H new ATOM 0 HG1 THR A 12 60.195 -3.109 11.785 1.00 0.00 H new ATOM 0 HG21 THR A 12 58.633 -4.076 10.215 1.00 0.00 H new ATOM 0 HG22 THR A 12 58.200 -3.071 8.812 1.00 0.00 H new ATOM 0 HG23 THR A 12 59.831 -3.771 8.935 1.00 0.00 H new ATOM 204 N ILE A 13 59.061 -0.811 7.021 1.00 0.00 N ATOM 205 CA ILE A 13 58.046 -0.441 6.040 1.00 0.00 C ATOM 206 C ILE A 13 57.375 -1.689 5.478 1.00 0.00 C ATOM 207 O ILE A 13 58.036 -2.690 5.205 1.00 0.00 O ATOM 208 CB ILE A 13 58.683 0.353 4.898 1.00 0.00 C ATOM 209 CG1 ILE A 13 59.891 1.131 5.422 1.00 0.00 C ATOM 210 CG2 ILE A 13 57.658 1.334 4.329 1.00 0.00 C ATOM 211 CD1 ILE A 13 60.434 2.037 4.315 1.00 0.00 C ATOM 0 H ILE A 13 59.910 -1.211 6.622 1.00 0.00 H new ATOM 0 HA ILE A 13 57.296 0.177 6.534 1.00 0.00 H new ATOM 0 HB ILE A 13 59.007 -0.335 4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 13 59.605 1.728 6.288 1.00 0.00 H new ATOM 0 HG13 ILE A 13 60.666 0.440 5.754 1.00 0.00 H new ATOM 0 HG21 ILE A 13 58.110 1.901 3.515 1.00 0.00 H new ATOM 0 HG22 ILE A 13 56.796 0.782 3.953 1.00 0.00 H new ATOM 0 HG23 ILE A 13 57.336 2.019 5.113 1.00 0.00 H new ATOM 0 HD11 ILE A 13 61.295 2.592 4.688 1.00 0.00 H new ATOM 0 HD12 ILE A 13 60.736 1.429 3.462 1.00 0.00 H new ATOM 0 HD13 ILE A 13 59.658 2.737 4.005 1.00 0.00 H new ATOM 223 N THR A 14 56.057 -1.621 5.309 1.00 0.00 N ATOM 224 CA THR A 14 55.305 -2.754 4.778 1.00 0.00 C ATOM 225 C THR A 14 54.902 -2.498 3.331 1.00 0.00 C ATOM 226 O THR A 14 54.192 -1.534 3.036 1.00 0.00 O ATOM 227 CB THR A 14 54.052 -2.990 5.625 1.00 0.00 C ATOM 228 OG1 THR A 14 54.435 -3.350 6.945 1.00 0.00 O ATOM 229 CG2 THR A 14 53.222 -4.115 5.007 1.00 0.00 C ATOM 0 H THR A 14 55.492 -0.801 5.530 1.00 0.00 H new ATOM 0 HA THR A 14 55.941 -3.639 4.814 1.00 0.00 H new ATOM 0 HB THR A 14 53.456 -2.078 5.656 1.00 0.00 H new ATOM 0 HG1 THR A 14 54.769 -4.271 6.949 1.00 0.00 H new ATOM 0 HG21 THR A 14 52.330 -4.283 5.610 1.00 0.00 H new ATOM 0 HG22 THR A 14 52.928 -3.837 3.995 1.00 0.00 H new ATOM 0 HG23 THR A 14 53.815 -5.029 4.974 1.00 0.00 H new ATOM 237 N LEU A 15 55.361 -3.366 2.433 1.00 0.00 N ATOM 238 CA LEU A 15 55.048 -3.234 1.013 1.00 0.00 C ATOM 239 C LEU A 15 54.410 -4.514 0.484 1.00 0.00 C ATOM 240 O LEU A 15 54.719 -5.611 0.953 1.00 0.00 O ATOM 241 CB LEU A 15 56.327 -2.937 0.224 1.00 0.00 C ATOM 242 CG LEU A 15 56.979 -1.658 0.759 1.00 0.00 C ATOM 243 CD1 LEU A 15 58.301 -1.416 0.031 1.00 0.00 C ATOM 244 CD2 LEU A 15 56.048 -0.462 0.531 1.00 0.00 C ATOM 0 H LEU A 15 55.950 -4.167 2.663 1.00 0.00 H new ATOM 0 HA LEU A 15 54.343 -2.412 0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 15 57.021 -3.773 0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 15 56.094 -2.823 -0.835 1.00 0.00 H new ATOM 0 HG LEU A 15 57.163 -1.772 1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 15 58.765 -0.506 0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 15 58.969 -2.261 0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 15 58.114 -1.308 -1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 15 56.519 0.444 0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 15 55.857 -0.348 -0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 15 55.106 -0.630 1.053 1.00 0.00 H new ATOM 256 N GLU A 16 53.522 -4.367 -0.494 1.00 0.00 N ATOM 257 CA GLU A 16 52.848 -5.519 -1.081 1.00 0.00 C ATOM 258 C GLU A 16 53.457 -5.862 -2.436 1.00 0.00 C ATOM 259 O GLU A 16 53.574 -5.002 -3.310 1.00 0.00 O ATOM 260 CB GLU A 16 51.357 -5.219 -1.251 1.00 0.00 C ATOM 261 CG GLU A 16 51.178 -4.043 -2.212 1.00 0.00 C ATOM 262 CD GLU A 16 49.872 -3.313 -1.907 1.00 0.00 C ATOM 263 OE1 GLU A 16 49.717 -2.198 -2.376 1.00 0.00 O ATOM 264 OE2 GLU A 16 49.050 -3.882 -1.208 1.00 0.00 O ATOM 0 H GLU A 16 53.254 -3.468 -0.894 1.00 0.00 H new ATOM 0 HA GLU A 16 52.974 -6.371 -0.413 1.00 0.00 H new ATOM 0 HB2 GLU A 16 50.840 -6.098 -1.636 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.910 -4.984 -0.285 1.00 0.00 H new ATOM 0 HG2 GLU A 16 52.019 -3.356 -2.119 1.00 0.00 H new ATOM 0 HG3 GLU A 16 51.172 -4.402 -3.241 1.00 0.00 H new ATOM 271 N VAL A 17 53.846 -7.121 -2.602 1.00 0.00 N ATOM 272 CA VAL A 17 54.445 -7.567 -3.855 1.00 0.00 C ATOM 273 C VAL A 17 54.043 -9.006 -4.162 1.00 0.00 C ATOM 274 O VAL A 17 53.418 -9.674 -3.338 1.00 0.00 O ATOM 275 CB VAL A 17 55.969 -7.469 -3.766 1.00 0.00 C ATOM 276 CG1 VAL A 17 56.364 -6.070 -3.289 1.00 0.00 C ATOM 277 CG2 VAL A 17 56.489 -8.510 -2.770 1.00 0.00 C ATOM 0 H VAL A 17 53.758 -7.847 -1.891 1.00 0.00 H new ATOM 0 HA VAL A 17 54.084 -6.924 -4.658 1.00 0.00 H new ATOM 0 HB VAL A 17 56.402 -7.655 -4.749 1.00 0.00 H new ATOM 0 HG11 VAL A 17 57.450 -6.000 -3.226 1.00 0.00 H new ATOM 0 HG12 VAL A 17 55.993 -5.327 -3.995 1.00 0.00 H new ATOM 0 HG13 VAL A 17 55.931 -5.885 -2.306 1.00 0.00 H new ATOM 0 HG21 VAL A 17 57.575 -8.441 -2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 17 56.055 -8.323 -1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 17 56.208 -9.508 -3.107 1.00 0.00 H new ATOM 287 N GLU A 18 54.405 -9.475 -5.351 1.00 0.00 N ATOM 288 CA GLU A 18 54.074 -10.837 -5.756 1.00 0.00 C ATOM 289 C GLU A 18 55.070 -11.828 -5.150 1.00 0.00 C ATOM 290 O GLU A 18 56.198 -11.458 -4.823 1.00 0.00 O ATOM 291 CB GLU A 18 54.106 -10.949 -7.284 1.00 0.00 C ATOM 292 CG GLU A 18 52.692 -10.760 -7.840 1.00 0.00 C ATOM 293 CD GLU A 18 52.148 -9.397 -7.422 1.00 0.00 C ATOM 294 OE1 GLU A 18 52.811 -8.410 -7.690 1.00 0.00 O ATOM 295 OE2 GLU A 18 51.077 -9.362 -6.840 1.00 0.00 O ATOM 0 H GLU A 18 54.923 -8.938 -6.046 1.00 0.00 H new ATOM 0 HA GLU A 18 53.073 -11.074 -5.396 1.00 0.00 H new ATOM 0 HB2 GLU A 18 54.775 -10.196 -7.700 1.00 0.00 H new ATOM 0 HB3 GLU A 18 54.497 -11.922 -7.580 1.00 0.00 H new ATOM 0 HG2 GLU A 18 52.706 -10.838 -8.927 1.00 0.00 H new ATOM 0 HG3 GLU A 18 52.038 -11.551 -7.472 1.00 0.00 H new ATOM 302 N PRO A 19 54.683 -13.072 -4.994 1.00 0.00 N ATOM 303 CA PRO A 19 55.575 -14.118 -4.413 1.00 0.00 C ATOM 304 C PRO A 19 56.726 -14.478 -5.353 1.00 0.00 C ATOM 305 O PRO A 19 57.440 -15.455 -5.127 1.00 0.00 O ATOM 306 CB PRO A 19 54.650 -15.320 -4.203 1.00 0.00 C ATOM 307 CG PRO A 19 53.526 -15.127 -5.167 1.00 0.00 C ATOM 308 CD PRO A 19 53.361 -13.620 -5.347 1.00 0.00 C ATOM 0 HA PRO A 19 56.051 -13.779 -3.493 1.00 0.00 H new ATOM 0 HB2 PRO A 19 55.174 -16.257 -4.392 1.00 0.00 H new ATOM 0 HB3 PRO A 19 54.285 -15.361 -3.177 1.00 0.00 H new ATOM 0 HG2 PRO A 19 53.745 -15.609 -6.120 1.00 0.00 H new ATOM 0 HG3 PRO A 19 52.608 -15.575 -4.787 1.00 0.00 H new ATOM 0 HD2 PRO A 19 53.085 -13.368 -6.371 1.00 0.00 H new ATOM 0 HD3 PRO A 19 52.579 -13.224 -4.699 1.00 0.00 H new ATOM 316 N SER A 20 56.897 -13.683 -6.403 1.00 0.00 N ATOM 317 CA SER A 20 57.964 -13.928 -7.368 1.00 0.00 C ATOM 318 C SER A 20 58.444 -12.618 -7.982 1.00 0.00 C ATOM 319 O SER A 20 58.681 -12.536 -9.187 1.00 0.00 O ATOM 320 CB SER A 20 57.464 -14.858 -8.473 1.00 0.00 C ATOM 321 OG SER A 20 58.508 -15.076 -9.412 1.00 0.00 O ATOM 0 H SER A 20 56.316 -12.870 -6.608 1.00 0.00 H new ATOM 0 HA SER A 20 58.798 -14.398 -6.847 1.00 0.00 H new ATOM 0 HB2 SER A 20 57.139 -15.807 -8.046 1.00 0.00 H new ATOM 0 HB3 SER A 20 56.599 -14.419 -8.970 1.00 0.00 H new ATOM 0 HG SER A 20 58.782 -14.219 -9.802 1.00 0.00 H new ATOM 327 N ASP A 21 58.586 -11.594 -7.147 1.00 0.00 N ATOM 328 CA ASP A 21 59.040 -10.291 -7.620 1.00 0.00 C ATOM 329 C ASP A 21 60.520 -10.095 -7.312 1.00 0.00 C ATOM 330 O ASP A 21 61.050 -10.676 -6.363 1.00 0.00 O ATOM 331 CB ASP A 21 58.226 -9.180 -6.951 1.00 0.00 C ATOM 332 CG ASP A 21 57.567 -8.307 -8.011 1.00 0.00 C ATOM 333 OD1 ASP A 21 56.993 -8.861 -8.935 1.00 0.00 O ATOM 334 OD2 ASP A 21 57.647 -7.096 -7.887 1.00 0.00 O ATOM 0 H ASP A 21 58.395 -11.640 -6.146 1.00 0.00 H new ATOM 0 HA ASP A 21 58.897 -10.247 -8.700 1.00 0.00 H new ATOM 0 HB2 ASP A 21 57.466 -9.615 -6.302 1.00 0.00 H new ATOM 0 HB3 ASP A 21 58.874 -8.573 -6.319 1.00 0.00 H new ATOM 339 N THR A 22 61.183 -9.274 -8.119 1.00 0.00 N ATOM 340 CA THR A 22 62.605 -9.006 -7.922 1.00 0.00 C ATOM 341 C THR A 22 62.800 -7.759 -7.068 1.00 0.00 C ATOM 342 O THR A 22 61.880 -6.959 -6.900 1.00 0.00 O ATOM 343 CB THR A 22 63.291 -8.815 -9.277 1.00 0.00 C ATOM 344 OG1 THR A 22 62.686 -7.730 -9.963 1.00 0.00 O ATOM 345 CG2 THR A 22 63.149 -10.090 -10.108 1.00 0.00 C ATOM 0 H THR A 22 60.764 -8.785 -8.910 1.00 0.00 H new ATOM 0 HA THR A 22 63.051 -9.857 -7.407 1.00 0.00 H new ATOM 0 HB THR A 22 64.349 -8.602 -9.122 1.00 0.00 H new ATOM 0 HG1 THR A 22 63.000 -7.714 -10.891 1.00 0.00 H new ATOM 0 HG21 THR A 22 63.638 -9.952 -11.072 1.00 0.00 H new ATOM 0 HG22 THR A 22 63.615 -10.922 -9.580 1.00 0.00 H new ATOM 0 HG23 THR A 22 62.092 -10.306 -10.265 1.00 0.00 H new ATOM 353 N ILE A 23 64.006 -7.598 -6.532 1.00 0.00 N ATOM 354 CA ILE A 23 64.310 -6.441 -5.697 1.00 0.00 C ATOM 355 C ILE A 23 64.126 -5.149 -6.484 1.00 0.00 C ATOM 356 O ILE A 23 64.056 -4.063 -5.909 1.00 0.00 O ATOM 357 CB ILE A 23 65.750 -6.528 -5.187 1.00 0.00 C ATOM 358 CG1 ILE A 23 65.919 -7.799 -4.340 1.00 0.00 C ATOM 359 CG2 ILE A 23 66.074 -5.291 -4.345 1.00 0.00 C ATOM 360 CD1 ILE A 23 65.576 -7.511 -2.875 1.00 0.00 C ATOM 0 H ILE A 23 64.782 -8.247 -6.659 1.00 0.00 H new ATOM 0 HA ILE A 23 63.624 -6.439 -4.850 1.00 0.00 H new ATOM 0 HB ILE A 23 66.434 -6.570 -6.035 1.00 0.00 H new ATOM 0 HG12 ILE A 23 65.273 -8.588 -4.724 1.00 0.00 H new ATOM 0 HG13 ILE A 23 66.944 -8.161 -4.416 1.00 0.00 H new ATOM 0 HG21 ILE A 23 67.100 -5.356 -3.983 1.00 0.00 H new ATOM 0 HG22 ILE A 23 65.960 -4.395 -4.956 1.00 0.00 H new ATOM 0 HG23 ILE A 23 65.392 -5.240 -3.496 1.00 0.00 H new ATOM 0 HD11 ILE A 23 65.700 -8.420 -2.287 1.00 0.00 H new ATOM 0 HD12 ILE A 23 66.240 -6.737 -2.491 1.00 0.00 H new ATOM 0 HD13 ILE A 23 64.543 -7.171 -2.803 1.00 0.00 H new ATOM 372 N GLU A 24 64.046 -5.273 -7.806 1.00 0.00 N ATOM 373 CA GLU A 24 63.868 -4.108 -8.665 1.00 0.00 C ATOM 374 C GLU A 24 62.590 -3.362 -8.294 1.00 0.00 C ATOM 375 O GLU A 24 62.589 -2.137 -8.168 1.00 0.00 O ATOM 376 CB GLU A 24 63.800 -4.543 -10.130 1.00 0.00 C ATOM 377 CG GLU A 24 65.190 -4.978 -10.597 1.00 0.00 C ATOM 378 CD GLU A 24 65.069 -6.102 -11.621 1.00 0.00 C ATOM 379 OE1 GLU A 24 65.983 -6.904 -11.701 1.00 0.00 O ATOM 380 OE2 GLU A 24 64.061 -6.142 -12.309 1.00 0.00 O ATOM 0 H GLU A 24 64.101 -6.162 -8.302 1.00 0.00 H new ATOM 0 HA GLU A 24 64.720 -3.442 -8.524 1.00 0.00 H new ATOM 0 HB2 GLU A 24 63.093 -5.364 -10.244 1.00 0.00 H new ATOM 0 HB3 GLU A 24 63.437 -3.722 -10.748 1.00 0.00 H new ATOM 0 HG2 GLU A 24 65.717 -4.131 -11.036 1.00 0.00 H new ATOM 0 HG3 GLU A 24 65.780 -5.314 -9.744 1.00 0.00 H new ATOM 387 N ASN A 25 61.505 -4.107 -8.119 1.00 0.00 N ATOM 388 CA ASN A 25 60.225 -3.506 -7.762 1.00 0.00 C ATOM 389 C ASN A 25 60.275 -2.940 -6.345 1.00 0.00 C ATOM 390 O ASN A 25 59.751 -1.860 -6.079 1.00 0.00 O ATOM 391 CB ASN A 25 59.111 -4.550 -7.857 1.00 0.00 C ATOM 392 CG ASN A 25 58.038 -4.080 -8.833 1.00 0.00 C ATOM 393 OD1 ASN A 25 57.624 -2.922 -8.794 1.00 0.00 O ATOM 394 ND2 ASN A 25 57.557 -4.917 -9.711 1.00 0.00 N ATOM 0 H ASN A 25 61.485 -5.122 -8.218 1.00 0.00 H new ATOM 0 HA ASN A 25 60.021 -2.694 -8.459 1.00 0.00 H new ATOM 0 HB2 ASN A 25 59.522 -5.504 -8.188 1.00 0.00 H new ATOM 0 HB3 ASN A 25 58.672 -4.716 -6.873 1.00 0.00 H new ATOM 0 HD21 ASN A 25 56.837 -4.611 -10.366 1.00 0.00 H new ATOM 0 HD22 ASN A 25 57.901 -5.877 -9.742 1.00 0.00 H new ATOM 401 N ALA A 26 60.908 -3.681 -5.441 1.00 0.00 N ATOM 402 CA ALA A 26 61.020 -3.244 -4.055 1.00 0.00 C ATOM 403 C ALA A 26 61.789 -1.931 -3.967 1.00 0.00 C ATOM 404 O ALA A 26 61.381 -1.008 -3.262 1.00 0.00 O ATOM 405 CB ALA A 26 61.736 -4.313 -3.226 1.00 0.00 C ATOM 0 H ALA A 26 61.348 -4.579 -5.641 1.00 0.00 H new ATOM 0 HA ALA A 26 60.015 -3.091 -3.661 1.00 0.00 H new ATOM 0 HB1 ALA A 26 61.816 -3.979 -2.192 1.00 0.00 H new ATOM 0 HB2 ALA A 26 61.169 -5.243 -3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 26 62.734 -4.480 -3.631 1.00 0.00 H new ATOM 411 N LYS A 27 62.904 -1.852 -4.686 1.00 0.00 N ATOM 412 CA LYS A 27 63.722 -0.644 -4.681 1.00 0.00 C ATOM 413 C LYS A 27 62.944 0.531 -5.268 1.00 0.00 C ATOM 414 O LYS A 27 62.981 1.640 -4.734 1.00 0.00 O ATOM 415 CB LYS A 27 64.998 -0.869 -5.495 1.00 0.00 C ATOM 416 CG LYS A 27 66.106 -1.397 -4.579 1.00 0.00 C ATOM 417 CD LYS A 27 67.375 -1.644 -5.398 1.00 0.00 C ATOM 418 CE LYS A 27 68.404 -0.557 -5.088 1.00 0.00 C ATOM 419 NZ LYS A 27 69.502 -0.607 -6.094 1.00 0.00 N ATOM 0 H LYS A 27 63.260 -2.604 -5.276 1.00 0.00 H new ATOM 0 HA LYS A 27 63.987 -0.414 -3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 27 64.808 -1.580 -6.299 1.00 0.00 H new ATOM 0 HB3 LYS A 27 65.313 0.064 -5.962 1.00 0.00 H new ATOM 0 HG2 LYS A 27 66.308 -0.679 -3.784 1.00 0.00 H new ATOM 0 HG3 LYS A 27 65.785 -2.322 -4.099 1.00 0.00 H new ATOM 0 HD2 LYS A 27 67.786 -2.626 -5.163 1.00 0.00 H new ATOM 0 HD3 LYS A 27 67.139 -1.643 -6.462 1.00 0.00 H new ATOM 0 HE2 LYS A 27 67.928 0.423 -5.103 1.00 0.00 H new ATOM 0 HE3 LYS A 27 68.808 -0.700 -4.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 70.201 0.133 -5.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 69.963 -1.539 -6.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 69.110 -0.450 -7.044 1.00 0.00 H new ATOM 433 N ALA A 28 62.240 0.278 -6.366 1.00 0.00 N ATOM 434 CA ALA A 28 61.457 1.324 -7.015 1.00 0.00 C ATOM 435 C ALA A 28 60.306 1.765 -6.115 1.00 0.00 C ATOM 436 O ALA A 28 60.037 2.957 -5.977 1.00 0.00 O ATOM 437 CB ALA A 28 60.900 0.810 -8.344 1.00 0.00 C ATOM 0 H ALA A 28 62.195 -0.633 -6.822 1.00 0.00 H new ATOM 0 HA ALA A 28 62.108 2.179 -7.201 1.00 0.00 H new ATOM 0 HB1 ALA A 28 60.317 1.597 -8.823 1.00 0.00 H new ATOM 0 HB2 ALA A 28 61.724 0.521 -8.997 1.00 0.00 H new ATOM 0 HB3 ALA A 28 60.262 -0.055 -8.161 1.00 0.00 H new ATOM 443 N LYS A 29 59.633 0.794 -5.506 1.00 0.00 N ATOM 444 CA LYS A 29 58.513 1.095 -4.622 1.00 0.00 C ATOM 445 C LYS A 29 58.975 1.955 -3.450 1.00 0.00 C ATOM 446 O LYS A 29 58.342 2.956 -3.114 1.00 0.00 O ATOM 447 CB LYS A 29 57.900 -0.204 -4.096 1.00 0.00 C ATOM 448 CG LYS A 29 56.702 -0.592 -4.964 1.00 0.00 C ATOM 449 CD LYS A 29 56.138 -1.932 -4.490 1.00 0.00 C ATOM 450 CE LYS A 29 55.237 -2.522 -5.576 1.00 0.00 C ATOM 451 NZ LYS A 29 56.058 -2.853 -6.776 1.00 0.00 N ATOM 0 H LYS A 29 59.841 -0.199 -5.607 1.00 0.00 H new ATOM 0 HA LYS A 29 57.762 1.646 -5.189 1.00 0.00 H new ATOM 0 HB2 LYS A 29 58.644 -1.000 -4.108 1.00 0.00 H new ATOM 0 HB3 LYS A 29 57.586 -0.077 -3.060 1.00 0.00 H new ATOM 0 HG2 LYS A 29 55.933 0.179 -4.906 1.00 0.00 H new ATOM 0 HG3 LYS A 29 57.005 -0.662 -6.009 1.00 0.00 H new ATOM 0 HD2 LYS A 29 56.952 -2.621 -4.264 1.00 0.00 H new ATOM 0 HD3 LYS A 29 55.572 -1.794 -3.569 1.00 0.00 H new ATOM 0 HE2 LYS A 29 54.739 -3.418 -5.204 1.00 0.00 H new ATOM 0 HE3 LYS A 29 54.455 -1.810 -5.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 55.624 -3.650 -7.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 56.104 -2.025 -7.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 57.019 -3.115 -6.477 1.00 0.00 H new ATOM 465 N ILE A 30 60.083 1.558 -2.832 1.00 0.00 N ATOM 466 CA ILE A 30 60.621 2.303 -1.700 1.00 0.00 C ATOM 467 C ILE A 30 61.047 3.703 -2.128 1.00 0.00 C ATOM 468 O ILE A 30 60.890 4.668 -1.381 1.00 0.00 O ATOM 469 CB ILE A 30 61.819 1.567 -1.112 1.00 0.00 C ATOM 470 CG1 ILE A 30 61.315 0.354 -0.319 1.00 0.00 C ATOM 471 CG2 ILE A 30 62.586 2.517 -0.184 1.00 0.00 C ATOM 472 CD1 ILE A 30 62.492 -0.517 0.116 1.00 0.00 C ATOM 0 H ILE A 30 60.622 0.732 -3.093 1.00 0.00 H new ATOM 0 HA ILE A 30 59.839 2.388 -0.946 1.00 0.00 H new ATOM 0 HB ILE A 30 62.483 1.230 -1.908 1.00 0.00 H new ATOM 0 HG12 ILE A 30 60.757 0.688 0.556 1.00 0.00 H new ATOM 0 HG13 ILE A 30 60.628 -0.230 -0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 30 63.445 1.997 0.240 1.00 0.00 H new ATOM 0 HG22 ILE A 30 62.930 3.382 -0.752 1.00 0.00 H new ATOM 0 HG23 ILE A 30 61.929 2.849 0.620 1.00 0.00 H new ATOM 0 HD11 ILE A 30 62.122 -1.375 0.678 1.00 0.00 H new ATOM 0 HD12 ILE A 30 63.032 -0.866 -0.765 1.00 0.00 H new ATOM 0 HD13 ILE A 30 63.164 0.067 0.746 1.00 0.00 H new ATOM 484 N GLN A 31 61.591 3.803 -3.337 1.00 0.00 N ATOM 485 CA GLN A 31 62.044 5.086 -3.858 1.00 0.00 C ATOM 486 C GLN A 31 60.868 6.033 -4.074 1.00 0.00 C ATOM 487 O GLN A 31 60.945 7.215 -3.748 1.00 0.00 O ATOM 488 CB GLN A 31 62.785 4.880 -5.180 1.00 0.00 C ATOM 489 CG GLN A 31 63.208 6.234 -5.750 1.00 0.00 C ATOM 490 CD GLN A 31 62.315 6.605 -6.930 1.00 0.00 C ATOM 491 OE1 GLN A 31 62.406 5.992 -7.994 1.00 0.00 O ATOM 492 NE2 GLN A 31 61.453 7.575 -6.804 1.00 0.00 N ATOM 0 H GLN A 31 61.728 3.015 -3.970 1.00 0.00 H new ATOM 0 HA GLN A 31 62.718 5.531 -3.126 1.00 0.00 H new ATOM 0 HB2 GLN A 31 63.661 4.251 -5.023 1.00 0.00 H new ATOM 0 HB3 GLN A 31 62.143 4.360 -5.891 1.00 0.00 H new ATOM 0 HG2 GLN A 31 63.141 7.000 -4.978 1.00 0.00 H new ATOM 0 HG3 GLN A 31 64.249 6.194 -6.070 1.00 0.00 H new ATOM 0 HE21 GLN A 31 61.380 8.081 -5.921 1.00 0.00 H new ATOM 0 HE22 GLN A 31 60.852 7.828 -7.588 1.00 0.00 H new ATOM 501 N ASP A 32 59.783 5.511 -4.636 1.00 0.00 N ATOM 502 CA ASP A 32 58.603 6.327 -4.899 1.00 0.00 C ATOM 503 C ASP A 32 57.819 6.589 -3.617 1.00 0.00 C ATOM 504 O ASP A 32 57.010 7.515 -3.551 1.00 0.00 O ATOM 505 CB ASP A 32 57.702 5.626 -5.915 1.00 0.00 C ATOM 506 CG ASP A 32 57.377 6.573 -7.066 1.00 0.00 C ATOM 507 OD1 ASP A 32 57.382 6.120 -8.198 1.00 0.00 O ATOM 508 OD2 ASP A 32 57.128 7.737 -6.797 1.00 0.00 O ATOM 0 H ASP A 32 59.696 4.534 -4.916 1.00 0.00 H new ATOM 0 HA ASP A 32 58.936 7.284 -5.301 1.00 0.00 H new ATOM 0 HB2 ASP A 32 58.197 4.733 -6.297 1.00 0.00 H new ATOM 0 HB3 ASP A 32 56.781 5.298 -5.432 1.00 0.00 H new ATOM 513 N LYS A 33 58.051 5.765 -2.598 1.00 0.00 N ATOM 514 CA LYS A 33 57.348 5.921 -1.330 1.00 0.00 C ATOM 515 C LYS A 33 58.151 6.778 -0.354 1.00 0.00 C ATOM 516 O LYS A 33 57.586 7.583 0.387 1.00 0.00 O ATOM 517 CB LYS A 33 57.085 4.550 -0.706 1.00 0.00 C ATOM 518 CG LYS A 33 56.104 3.768 -1.582 1.00 0.00 C ATOM 519 CD LYS A 33 54.728 3.742 -0.911 1.00 0.00 C ATOM 520 CE LYS A 33 53.745 2.970 -1.793 1.00 0.00 C ATOM 521 NZ LYS A 33 53.359 3.812 -2.960 1.00 0.00 N ATOM 0 H LYS A 33 58.714 4.990 -2.625 1.00 0.00 H new ATOM 0 HA LYS A 33 56.401 6.422 -1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 33 58.020 3.998 -0.608 1.00 0.00 H new ATOM 0 HB3 LYS A 33 56.677 4.668 0.298 1.00 0.00 H new ATOM 0 HG2 LYS A 33 56.031 4.230 -2.567 1.00 0.00 H new ATOM 0 HG3 LYS A 33 56.466 2.751 -1.733 1.00 0.00 H new ATOM 0 HD2 LYS A 33 54.799 3.273 0.070 1.00 0.00 H new ATOM 0 HD3 LYS A 33 54.370 4.759 -0.753 1.00 0.00 H new ATOM 0 HE2 LYS A 33 54.200 2.041 -2.136 1.00 0.00 H new ATOM 0 HE3 LYS A 33 52.860 2.698 -1.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 52.558 3.371 -3.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 53.083 4.758 -2.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 54.166 3.895 -3.611 1.00 0.00 H new ATOM 535 N GLU A 34 59.469 6.595 -0.351 1.00 0.00 N ATOM 536 CA GLU A 34 60.329 7.355 0.552 1.00 0.00 C ATOM 537 C GLU A 34 61.000 8.518 -0.174 1.00 0.00 C ATOM 538 O GLU A 34 61.535 9.429 0.459 1.00 0.00 O ATOM 539 CB GLU A 34 61.399 6.438 1.146 1.00 0.00 C ATOM 540 CG GLU A 34 60.726 5.261 1.854 1.00 0.00 C ATOM 541 CD GLU A 34 59.946 5.757 3.066 1.00 0.00 C ATOM 542 OE1 GLU A 34 58.728 5.761 3.001 1.00 0.00 O ATOM 543 OE2 GLU A 34 60.580 6.125 4.043 1.00 0.00 O ATOM 0 H GLU A 34 59.960 5.936 -0.955 1.00 0.00 H new ATOM 0 HA GLU A 34 59.707 7.760 1.350 1.00 0.00 H new ATOM 0 HB2 GLU A 34 62.059 6.074 0.359 1.00 0.00 H new ATOM 0 HB3 GLU A 34 62.019 6.993 1.850 1.00 0.00 H new ATOM 0 HG2 GLU A 34 60.055 4.747 1.165 1.00 0.00 H new ATOM 0 HG3 GLU A 34 61.478 4.536 2.167 1.00 0.00 H new ATOM 550 N GLY A 35 60.973 8.484 -1.502 1.00 0.00 N ATOM 551 CA GLY A 35 61.586 9.549 -2.292 1.00 0.00 C ATOM 552 C GLY A 35 63.106 9.410 -2.307 1.00 0.00 C ATOM 553 O GLY A 35 63.810 10.248 -2.872 1.00 0.00 O ATOM 0 H GLY A 35 60.539 7.741 -2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 35 61.204 9.517 -3.312 1.00 0.00 H new ATOM 0 HA3 GLY A 35 61.310 10.519 -1.879 1.00 0.00 H new ATOM 557 N ILE A 36 63.607 8.349 -1.681 1.00 0.00 N ATOM 558 CA ILE A 36 65.045 8.113 -1.627 1.00 0.00 C ATOM 559 C ILE A 36 65.549 7.586 -2.981 1.00 0.00 C ATOM 560 O ILE A 36 65.151 6.498 -3.398 1.00 0.00 O ATOM 561 CB ILE A 36 65.360 7.086 -0.535 1.00 0.00 C ATOM 562 CG1 ILE A 36 64.807 7.577 0.805 1.00 0.00 C ATOM 563 CG2 ILE A 36 66.876 6.910 -0.420 1.00 0.00 C ATOM 564 CD1 ILE A 36 64.830 6.433 1.819 1.00 0.00 C ATOM 0 H ILE A 36 63.043 7.644 -1.207 1.00 0.00 H new ATOM 0 HA ILE A 36 65.546 9.054 -1.401 1.00 0.00 H new ATOM 0 HB ILE A 36 64.899 6.133 -0.794 1.00 0.00 H new ATOM 0 HG12 ILE A 36 65.403 8.413 1.171 1.00 0.00 H new ATOM 0 HG13 ILE A 36 63.788 7.943 0.677 1.00 0.00 H new ATOM 0 HG21 ILE A 36 67.100 6.179 0.357 1.00 0.00 H new ATOM 0 HG22 ILE A 36 67.275 6.561 -1.372 1.00 0.00 H new ATOM 0 HG23 ILE A 36 67.335 7.865 -0.163 1.00 0.00 H new ATOM 0 HD11 ILE A 36 64.436 6.784 2.773 1.00 0.00 H new ATOM 0 HD12 ILE A 36 64.216 5.610 1.453 1.00 0.00 H new ATOM 0 HD13 ILE A 36 65.855 6.088 1.955 1.00 0.00 H new ATOM 576 N PRO A 37 66.406 8.307 -3.683 1.00 0.00 N ATOM 577 CA PRO A 37 66.927 7.844 -5.003 1.00 0.00 C ATOM 578 C PRO A 37 67.320 6.365 -4.972 1.00 0.00 C ATOM 579 O PRO A 37 67.578 5.812 -3.902 1.00 0.00 O ATOM 580 CB PRO A 37 68.147 8.734 -5.239 1.00 0.00 C ATOM 581 CG PRO A 37 67.865 9.997 -4.496 1.00 0.00 C ATOM 582 CD PRO A 37 66.970 9.622 -3.315 1.00 0.00 C ATOM 0 HA PRO A 37 66.182 7.922 -5.795 1.00 0.00 H new ATOM 0 HB2 PRO A 37 69.057 8.258 -4.874 1.00 0.00 H new ATOM 0 HB3 PRO A 37 68.293 8.927 -6.302 1.00 0.00 H new ATOM 0 HG2 PRO A 37 68.790 10.457 -4.149 1.00 0.00 H new ATOM 0 HG3 PRO A 37 67.370 10.723 -5.141 1.00 0.00 H new ATOM 0 HD2 PRO A 37 67.540 9.564 -2.388 1.00 0.00 H new ATOM 0 HD3 PRO A 37 66.185 10.362 -3.161 1.00 0.00 H new ATOM 590 N PRO A 38 67.374 5.713 -6.111 1.00 0.00 N ATOM 591 CA PRO A 38 67.746 4.270 -6.189 1.00 0.00 C ATOM 592 C PRO A 38 69.236 4.042 -5.946 1.00 0.00 C ATOM 593 O PRO A 38 69.627 3.064 -5.309 1.00 0.00 O ATOM 594 CB PRO A 38 67.363 3.873 -7.616 1.00 0.00 C ATOM 595 CG PRO A 38 67.438 5.136 -8.407 1.00 0.00 C ATOM 596 CD PRO A 38 67.087 6.272 -7.446 1.00 0.00 C ATOM 0 HA PRO A 38 67.241 3.679 -5.425 1.00 0.00 H new ATOM 0 HB2 PRO A 38 68.044 3.120 -8.011 1.00 0.00 H new ATOM 0 HB3 PRO A 38 66.361 3.446 -7.650 1.00 0.00 H new ATOM 0 HG2 PRO A 38 68.436 5.274 -8.823 1.00 0.00 H new ATOM 0 HG3 PRO A 38 66.743 5.110 -9.247 1.00 0.00 H new ATOM 0 HD2 PRO A 38 67.686 7.161 -7.643 1.00 0.00 H new ATOM 0 HD3 PRO A 38 66.041 6.565 -7.540 1.00 0.00 H new ATOM 604 N ASP A 39 70.060 4.948 -6.460 1.00 0.00 N ATOM 605 CA ASP A 39 71.506 4.831 -6.296 1.00 0.00 C ATOM 606 C ASP A 39 71.892 4.953 -4.825 1.00 0.00 C ATOM 607 O ASP A 39 73.007 4.606 -4.436 1.00 0.00 O ATOM 608 CB ASP A 39 72.213 5.920 -7.104 1.00 0.00 C ATOM 609 CG ASP A 39 71.570 7.276 -6.831 1.00 0.00 C ATOM 610 OD1 ASP A 39 72.251 8.134 -6.297 1.00 0.00 O ATOM 611 OD2 ASP A 39 70.408 7.434 -7.166 1.00 0.00 O ATOM 0 H ASP A 39 69.756 5.765 -6.989 1.00 0.00 H new ATOM 0 HA ASP A 39 71.815 3.851 -6.659 1.00 0.00 H new ATOM 0 HB2 ASP A 39 73.270 5.951 -6.841 1.00 0.00 H new ATOM 0 HB3 ASP A 39 72.156 5.689 -8.168 1.00 0.00 H new ATOM 616 N GLN A 40 70.963 5.449 -4.013 1.00 0.00 N ATOM 617 CA GLN A 40 71.217 5.612 -2.586 1.00 0.00 C ATOM 618 C GLN A 40 70.520 4.516 -1.789 1.00 0.00 C ATOM 619 O GLN A 40 70.549 4.517 -0.559 1.00 0.00 O ATOM 620 CB GLN A 40 70.717 6.981 -2.121 1.00 0.00 C ATOM 621 CG GLN A 40 71.847 8.006 -2.236 1.00 0.00 C ATOM 622 CD GLN A 40 71.268 9.410 -2.369 1.00 0.00 C ATOM 623 OE1 GLN A 40 70.491 9.845 -1.519 1.00 0.00 O ATOM 624 NE2 GLN A 40 71.598 10.147 -3.394 1.00 0.00 N ATOM 0 H GLN A 40 70.034 5.743 -4.316 1.00 0.00 H new ATOM 0 HA GLN A 40 72.291 5.540 -2.416 1.00 0.00 H new ATOM 0 HB2 GLN A 40 69.866 7.293 -2.726 1.00 0.00 H new ATOM 0 HB3 GLN A 40 70.370 6.922 -1.089 1.00 0.00 H new ATOM 0 HG2 GLN A 40 72.490 7.951 -1.357 1.00 0.00 H new ATOM 0 HG3 GLN A 40 72.470 7.777 -3.101 1.00 0.00 H new ATOM 0 HE21 GLN A 40 72.242 9.784 -4.097 1.00 0.00 H new ATOM 0 HE22 GLN A 40 71.212 11.086 -3.492 1.00 0.00 H new ATOM 633 N GLN A 41 69.893 3.583 -2.498 1.00 0.00 N ATOM 634 CA GLN A 41 69.191 2.483 -1.846 1.00 0.00 C ATOM 635 C GLN A 41 70.012 1.201 -1.927 1.00 0.00 C ATOM 636 O GLN A 41 70.502 0.833 -2.995 1.00 0.00 O ATOM 637 CB GLN A 41 67.831 2.262 -2.510 1.00 0.00 C ATOM 638 CG GLN A 41 66.839 3.310 -2.003 1.00 0.00 C ATOM 639 CD GLN A 41 65.538 3.223 -2.794 1.00 0.00 C ATOM 640 OE1 GLN A 41 64.619 4.011 -2.566 1.00 0.00 O ATOM 641 NE2 GLN A 41 65.403 2.308 -3.713 1.00 0.00 N ATOM 0 H GLN A 41 69.856 3.566 -3.517 1.00 0.00 H new ATOM 0 HA GLN A 41 69.044 2.743 -0.798 1.00 0.00 H new ATOM 0 HB2 GLN A 41 67.928 2.332 -3.593 1.00 0.00 H new ATOM 0 HB3 GLN A 41 67.464 1.260 -2.287 1.00 0.00 H new ATOM 0 HG2 GLN A 41 66.641 3.152 -0.943 1.00 0.00 H new ATOM 0 HG3 GLN A 41 67.268 4.307 -2.102 1.00 0.00 H new ATOM 0 HE21 GLN A 41 66.165 1.657 -3.900 1.00 0.00 H new ATOM 0 HE22 GLN A 41 64.535 2.244 -4.245 1.00 0.00 H new ATOM 650 N ARG A 42 70.153 0.525 -0.790 1.00 0.00 N ATOM 651 CA ARG A 42 70.914 -0.719 -0.734 1.00 0.00 C ATOM 652 C ARG A 42 70.098 -1.807 -0.043 1.00 0.00 C ATOM 653 O ARG A 42 69.954 -1.805 1.177 1.00 0.00 O ATOM 654 CB ARG A 42 72.221 -0.498 0.028 1.00 0.00 C ATOM 655 CG ARG A 42 73.365 -1.184 -0.719 1.00 0.00 C ATOM 656 CD ARG A 42 74.666 -0.999 0.060 1.00 0.00 C ATOM 657 NE ARG A 42 75.754 -1.713 -0.600 1.00 0.00 N ATOM 658 CZ ARG A 42 76.838 -2.087 0.072 1.00 0.00 C ATOM 659 NH1 ARG A 42 77.795 -2.729 -0.543 1.00 0.00 N ATOM 660 NH2 ARG A 42 76.947 -1.812 1.342 1.00 0.00 N ATOM 0 H ARG A 42 69.752 0.816 0.101 1.00 0.00 H new ATOM 0 HA ARG A 42 71.139 -1.036 -1.753 1.00 0.00 H new ATOM 0 HB2 ARG A 42 72.423 0.569 0.125 1.00 0.00 H new ATOM 0 HB3 ARG A 42 72.139 -0.900 1.038 1.00 0.00 H new ATOM 0 HG2 ARG A 42 73.149 -2.246 -0.840 1.00 0.00 H new ATOM 0 HG3 ARG A 42 73.465 -0.763 -1.719 1.00 0.00 H new ATOM 0 HD2 ARG A 42 74.908 0.061 0.132 1.00 0.00 H new ATOM 0 HD3 ARG A 42 74.544 -1.368 1.078 1.00 0.00 H new ATOM 0 HE ARG A 42 75.681 -1.929 -1.594 1.00 0.00 H new ATOM 0 HH11 ARG A 42 77.709 -2.942 -1.537 1.00 0.00 H new ATOM 0 HH12 ARG A 42 78.628 -3.017 -0.029 1.00 0.00 H new ATOM 0 HH21 ARG A 42 76.200 -1.309 1.821 1.00 0.00 H new ATOM 0 HH22 ARG A 42 77.779 -2.100 1.856 1.00 0.00 H new ATOM 674 N LEU A 43 69.566 -2.733 -0.833 1.00 0.00 N ATOM 675 CA LEU A 43 68.762 -3.819 -0.284 1.00 0.00 C ATOM 676 C LEU A 43 69.636 -5.036 0.004 1.00 0.00 C ATOM 677 O LEU A 43 70.345 -5.526 -0.874 1.00 0.00 O ATOM 678 CB LEU A 43 67.657 -4.205 -1.275 1.00 0.00 C ATOM 679 CG LEU A 43 66.309 -3.638 -0.813 1.00 0.00 C ATOM 680 CD1 LEU A 43 65.859 -4.338 0.473 1.00 0.00 C ATOM 681 CD2 LEU A 43 66.441 -2.135 -0.557 1.00 0.00 C ATOM 0 H LEU A 43 69.675 -2.754 -1.847 1.00 0.00 H new ATOM 0 HA LEU A 43 68.311 -3.478 0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 43 67.899 -3.824 -2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 43 67.595 -5.290 -1.357 1.00 0.00 H new ATOM 0 HG LEU A 43 65.567 -3.810 -1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 43 64.901 -3.929 0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 43 65.753 -5.407 0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 43 66.602 -4.177 1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 43 65.481 -1.736 -0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 43 67.189 -1.962 0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 43 66.747 -1.635 -1.476 1.00 0.00 H new ATOM 693 N ILE A 44 69.575 -5.517 1.244 1.00 0.00 N ATOM 694 CA ILE A 44 70.363 -6.676 1.650 1.00 0.00 C ATOM 695 C ILE A 44 69.485 -7.690 2.375 1.00 0.00 C ATOM 696 O ILE A 44 68.451 -7.338 2.941 1.00 0.00 O ATOM 697 CB ILE A 44 71.505 -6.238 2.573 1.00 0.00 C ATOM 698 CG1 ILE A 44 72.461 -5.304 1.819 1.00 0.00 C ATOM 699 CG2 ILE A 44 72.274 -7.472 3.049 1.00 0.00 C ATOM 700 CD1 ILE A 44 72.047 -3.849 2.047 1.00 0.00 C ATOM 0 H ILE A 44 68.990 -5.123 1.981 1.00 0.00 H new ATOM 0 HA ILE A 44 70.778 -7.140 0.755 1.00 0.00 H new ATOM 0 HB ILE A 44 71.089 -5.708 3.430 1.00 0.00 H new ATOM 0 HG12 ILE A 44 73.483 -5.459 2.163 1.00 0.00 H new ATOM 0 HG13 ILE A 44 72.445 -5.534 0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 44 73.087 -7.163 3.706 1.00 0.00 H new ATOM 0 HG22 ILE A 44 71.600 -8.134 3.593 1.00 0.00 H new ATOM 0 HG23 ILE A 44 72.684 -8.000 2.188 1.00 0.00 H new ATOM 0 HD11 ILE A 44 72.728 -3.189 1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 44 71.031 -3.698 1.681 1.00 0.00 H new ATOM 0 HD13 ILE A 44 72.086 -3.622 3.112 1.00 0.00 H new ATOM 712 N PHE A 45 69.906 -8.950 2.352 1.00 0.00 N ATOM 713 CA PHE A 45 69.150 -10.011 3.011 1.00 0.00 C ATOM 714 C PHE A 45 70.034 -11.233 3.239 1.00 0.00 C ATOM 715 O PHE A 45 71.208 -11.238 2.870 1.00 0.00 O ATOM 716 CB PHE A 45 67.943 -10.399 2.155 1.00 0.00 C ATOM 717 CG PHE A 45 67.056 -11.343 2.930 1.00 0.00 C ATOM 718 CD1 PHE A 45 67.032 -12.705 2.608 1.00 0.00 C ATOM 719 CD2 PHE A 45 66.258 -10.856 3.973 1.00 0.00 C ATOM 720 CE1 PHE A 45 66.210 -13.581 3.327 1.00 0.00 C ATOM 721 CE2 PHE A 45 65.434 -11.731 4.692 1.00 0.00 C ATOM 722 CZ PHE A 45 65.412 -13.093 4.369 1.00 0.00 C ATOM 0 H PHE A 45 70.760 -9.261 1.888 1.00 0.00 H new ATOM 0 HA PHE A 45 68.804 -9.643 3.977 1.00 0.00 H new ATOM 0 HB2 PHE A 45 67.383 -9.508 1.872 1.00 0.00 H new ATOM 0 HB3 PHE A 45 68.276 -10.873 1.232 1.00 0.00 H new ATOM 0 HD1 PHE A 45 67.648 -13.080 1.804 1.00 0.00 H new ATOM 0 HD2 PHE A 45 66.278 -9.805 4.223 1.00 0.00 H new ATOM 0 HE1 PHE A 45 66.191 -14.632 3.078 1.00 0.00 H new ATOM 0 HE2 PHE A 45 64.816 -11.356 5.495 1.00 0.00 H new ATOM 0 HZ PHE A 45 64.778 -13.769 4.925 1.00 0.00 H new ATOM 732 N ALA A 46 69.461 -12.267 3.845 1.00 0.00 N ATOM 733 CA ALA A 46 70.209 -13.491 4.115 1.00 0.00 C ATOM 734 C ALA A 46 70.445 -14.270 2.825 1.00 0.00 C ATOM 735 O ALA A 46 70.159 -15.466 2.751 1.00 0.00 O ATOM 736 CB ALA A 46 69.441 -14.364 5.108 1.00 0.00 C ATOM 0 H ALA A 46 68.490 -12.284 4.156 1.00 0.00 H new ATOM 0 HA ALA A 46 71.174 -13.218 4.543 1.00 0.00 H new ATOM 0 HB1 ALA A 46 70.006 -15.275 5.304 1.00 0.00 H new ATOM 0 HB2 ALA A 46 69.300 -13.817 6.040 1.00 0.00 H new ATOM 0 HB3 ALA A 46 68.469 -14.623 4.689 1.00 0.00 H new ATOM 742 N GLY A 47 70.968 -13.585 1.814 1.00 0.00 N ATOM 743 CA GLY A 47 71.240 -14.220 0.530 1.00 0.00 C ATOM 744 C GLY A 47 72.625 -13.837 0.017 1.00 0.00 C ATOM 745 O GLY A 47 72.886 -13.877 -1.185 1.00 0.00 O ATOM 0 H GLY A 47 71.211 -12.595 1.858 1.00 0.00 H new ATOM 0 HA2 GLY A 47 71.173 -15.303 0.634 1.00 0.00 H new ATOM 0 HA3 GLY A 47 70.483 -13.921 -0.196 1.00 0.00 H new ATOM 749 N LYS A 48 73.508 -13.466 0.940 1.00 0.00 N ATOM 750 CA LYS A 48 74.864 -13.078 0.571 1.00 0.00 C ATOM 751 C LYS A 48 75.705 -14.310 0.253 1.00 0.00 C ATOM 752 O LYS A 48 76.529 -14.292 -0.662 1.00 0.00 O ATOM 753 CB LYS A 48 75.516 -12.295 1.713 1.00 0.00 C ATOM 754 CG LYS A 48 74.650 -12.403 2.970 1.00 0.00 C ATOM 755 CD LYS A 48 75.355 -11.710 4.137 1.00 0.00 C ATOM 756 CE LYS A 48 74.332 -11.371 5.222 1.00 0.00 C ATOM 757 NZ LYS A 48 74.955 -11.550 6.565 1.00 0.00 N ATOM 0 H LYS A 48 73.311 -13.426 1.940 1.00 0.00 H new ATOM 0 HA LYS A 48 74.811 -12.447 -0.316 1.00 0.00 H new ATOM 0 HB2 LYS A 48 76.514 -12.686 1.912 1.00 0.00 H new ATOM 0 HB3 LYS A 48 75.634 -11.249 1.429 1.00 0.00 H new ATOM 0 HG2 LYS A 48 73.677 -11.944 2.795 1.00 0.00 H new ATOM 0 HG3 LYS A 48 74.469 -13.451 3.211 1.00 0.00 H new ATOM 0 HD2 LYS A 48 76.131 -12.358 4.544 1.00 0.00 H new ATOM 0 HD3 LYS A 48 75.848 -10.802 3.790 1.00 0.00 H new ATOM 0 HE2 LYS A 48 73.987 -10.344 5.103 1.00 0.00 H new ATOM 0 HE3 LYS A 48 73.457 -12.014 5.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 74.260 -11.320 7.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 75.264 -12.537 6.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 75.776 -10.918 6.654 1.00 0.00 H new ATOM 771 N GLN A 49 75.491 -15.380 1.013 1.00 0.00 N ATOM 772 CA GLN A 49 76.233 -16.616 0.801 1.00 0.00 C ATOM 773 C GLN A 49 76.094 -17.082 -0.643 1.00 0.00 C ATOM 774 O GLN A 49 76.750 -18.036 -1.064 1.00 0.00 O ATOM 775 CB GLN A 49 75.714 -17.705 1.743 1.00 0.00 C ATOM 776 CG GLN A 49 76.499 -18.996 1.513 1.00 0.00 C ATOM 777 CD GLN A 49 76.412 -19.886 2.749 1.00 0.00 C ATOM 778 OE1 GLN A 49 77.105 -19.647 3.737 1.00 0.00 O ATOM 779 NE2 GLN A 49 75.595 -20.904 2.752 1.00 0.00 N ATOM 0 H GLN A 49 74.815 -15.416 1.776 1.00 0.00 H new ATOM 0 HA GLN A 49 77.286 -16.427 1.010 1.00 0.00 H new ATOM 0 HB2 GLN A 49 75.818 -17.384 2.779 1.00 0.00 H new ATOM 0 HB3 GLN A 49 74.652 -17.877 1.567 1.00 0.00 H new ATOM 0 HG2 GLN A 49 76.101 -19.524 0.646 1.00 0.00 H new ATOM 0 HG3 GLN A 49 77.541 -18.764 1.294 1.00 0.00 H new ATOM 0 HE21 GLN A 49 75.021 -21.100 1.932 1.00 0.00 H new ATOM 0 HE22 GLN A 49 75.530 -21.503 3.575 1.00 0.00 H new ATOM 788 N LEU A 50 75.236 -16.404 -1.400 1.00 0.00 N ATOM 789 CA LEU A 50 75.019 -16.757 -2.797 1.00 0.00 C ATOM 790 C LEU A 50 76.057 -16.081 -3.688 1.00 0.00 C ATOM 791 O LEU A 50 76.576 -15.017 -3.354 1.00 0.00 O ATOM 792 CB LEU A 50 73.615 -16.331 -3.231 1.00 0.00 C ATOM 793 CG LEU A 50 72.592 -16.828 -2.209 1.00 0.00 C ATOM 794 CD1 LEU A 50 71.187 -16.416 -2.650 1.00 0.00 C ATOM 795 CD2 LEU A 50 72.668 -18.354 -2.111 1.00 0.00 C ATOM 0 H LEU A 50 74.683 -15.612 -1.071 1.00 0.00 H new ATOM 0 HA LEU A 50 75.118 -17.838 -2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 50 73.563 -15.246 -3.315 1.00 0.00 H new ATOM 0 HB3 LEU A 50 73.388 -16.739 -4.216 1.00 0.00 H new ATOM 0 HG LEU A 50 72.810 -16.389 -1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 50 70.458 -16.771 -1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 50 71.131 -15.330 -2.720 1.00 0.00 H new ATOM 0 HD13 LEU A 50 70.968 -16.854 -3.624 1.00 0.00 H new ATOM 0 HD21 LEU A 50 71.939 -18.709 -1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 50 72.451 -18.792 -3.085 1.00 0.00 H new ATOM 0 HD23 LEU A 50 73.669 -18.649 -1.796 1.00 0.00 H new ATOM 807 N GLU A 51 76.352 -16.707 -4.823 1.00 0.00 N ATOM 808 CA GLU A 51 77.329 -16.156 -5.756 1.00 0.00 C ATOM 809 C GLU A 51 76.665 -15.167 -6.705 1.00 0.00 C ATOM 810 O GLU A 51 75.482 -15.290 -7.021 1.00 0.00 O ATOM 811 CB GLU A 51 77.976 -17.286 -6.560 1.00 0.00 C ATOM 812 CG GLU A 51 78.624 -18.289 -5.604 1.00 0.00 C ATOM 813 CD GLU A 51 79.711 -19.073 -6.330 1.00 0.00 C ATOM 814 OE1 GLU A 51 80.867 -18.707 -6.196 1.00 0.00 O ATOM 815 OE2 GLU A 51 79.373 -20.029 -7.009 1.00 0.00 O ATOM 0 H GLU A 51 75.933 -17.589 -5.117 1.00 0.00 H new ATOM 0 HA GLU A 51 78.095 -15.632 -5.185 1.00 0.00 H new ATOM 0 HB2 GLU A 51 77.226 -17.785 -7.174 1.00 0.00 H new ATOM 0 HB3 GLU A 51 78.725 -16.880 -7.240 1.00 0.00 H new ATOM 0 HG2 GLU A 51 79.051 -17.765 -4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 51 77.870 -18.973 -5.215 1.00 0.00 H new ATOM 822 N ASP A 52 77.438 -14.187 -7.156 1.00 0.00 N ATOM 823 CA ASP A 52 76.920 -13.177 -8.071 1.00 0.00 C ATOM 824 C ASP A 52 76.153 -13.834 -9.216 1.00 0.00 C ATOM 825 O ASP A 52 75.390 -13.177 -9.922 1.00 0.00 O ATOM 826 CB ASP A 52 78.071 -12.346 -8.639 1.00 0.00 C ATOM 827 CG ASP A 52 78.519 -11.306 -7.615 1.00 0.00 C ATOM 828 OD1 ASP A 52 77.792 -10.347 -7.418 1.00 0.00 O ATOM 829 OD2 ASP A 52 79.583 -11.483 -7.048 1.00 0.00 O ATOM 0 H ASP A 52 78.420 -14.070 -6.905 1.00 0.00 H new ATOM 0 HA ASP A 52 76.241 -12.528 -7.518 1.00 0.00 H new ATOM 0 HB2 ASP A 52 78.906 -12.996 -8.899 1.00 0.00 H new ATOM 0 HB3 ASP A 52 77.755 -11.851 -9.557 1.00 0.00 H new ATOM 834 N GLY A 53 76.364 -15.134 -9.390 1.00 0.00 N ATOM 835 CA GLY A 53 75.687 -15.871 -10.452 1.00 0.00 C ATOM 836 C GLY A 53 74.173 -15.786 -10.295 1.00 0.00 C ATOM 837 O GLY A 53 73.458 -15.467 -11.245 1.00 0.00 O ATOM 0 H GLY A 53 76.992 -15.696 -8.815 1.00 0.00 H new ATOM 0 HA2 GLY A 53 75.979 -15.469 -11.422 1.00 0.00 H new ATOM 0 HA3 GLY A 53 76.000 -16.915 -10.432 1.00 0.00 H new ATOM 841 N ARG A 54 73.691 -16.072 -9.090 1.00 0.00 N ATOM 842 CA ARG A 54 72.258 -16.024 -8.821 1.00 0.00 C ATOM 843 C ARG A 54 71.882 -14.703 -8.158 1.00 0.00 C ATOM 844 O ARG A 54 72.720 -14.044 -7.544 1.00 0.00 O ATOM 845 CB ARG A 54 71.857 -17.187 -7.912 1.00 0.00 C ATOM 846 CG ARG A 54 72.258 -18.509 -8.567 1.00 0.00 C ATOM 847 CD ARG A 54 73.545 -19.029 -7.924 1.00 0.00 C ATOM 848 NE ARG A 54 73.260 -19.587 -6.608 1.00 0.00 N ATOM 849 CZ ARG A 54 72.586 -20.726 -6.476 1.00 0.00 C ATOM 850 NH1 ARG A 54 72.340 -21.204 -5.288 1.00 0.00 N ATOM 851 NH2 ARG A 54 72.169 -21.365 -7.536 1.00 0.00 N ATOM 0 H ARG A 54 74.266 -16.337 -8.290 1.00 0.00 H new ATOM 0 HA ARG A 54 71.726 -16.106 -9.769 1.00 0.00 H new ATOM 0 HB2 ARG A 54 72.343 -17.088 -6.941 1.00 0.00 H new ATOM 0 HB3 ARG A 54 70.782 -17.169 -7.734 1.00 0.00 H new ATOM 0 HG2 ARG A 54 71.459 -19.242 -8.450 1.00 0.00 H new ATOM 0 HG3 ARG A 54 72.406 -18.366 -9.637 1.00 0.00 H new ATOM 0 HD2 ARG A 54 73.996 -19.791 -8.560 1.00 0.00 H new ATOM 0 HD3 ARG A 54 74.269 -18.219 -7.835 1.00 0.00 H new ATOM 0 HE ARG A 54 73.583 -19.096 -5.774 1.00 0.00 H new ATOM 0 HH11 ARG A 54 72.664 -20.704 -4.460 1.00 0.00 H new ATOM 0 HH12 ARG A 54 71.823 -22.077 -5.187 1.00 0.00 H new ATOM 0 HH21 ARG A 54 72.360 -20.991 -8.465 1.00 0.00 H new ATOM 0 HH22 ARG A 54 71.652 -22.238 -7.434 1.00 0.00 H new ATOM 865 N THR A 55 70.614 -14.323 -8.285 1.00 0.00 N ATOM 866 CA THR A 55 70.135 -13.078 -7.694 1.00 0.00 C ATOM 867 C THR A 55 69.364 -13.359 -6.408 1.00 0.00 C ATOM 868 O THR A 55 69.132 -14.513 -6.050 1.00 0.00 O ATOM 869 CB THR A 55 69.231 -12.343 -8.685 1.00 0.00 C ATOM 870 OG1 THR A 55 68.127 -13.172 -9.020 1.00 0.00 O ATOM 871 CG2 THR A 55 70.023 -12.007 -9.949 1.00 0.00 C ATOM 0 H THR A 55 69.904 -14.855 -8.788 1.00 0.00 H new ATOM 0 HA THR A 55 70.997 -12.453 -7.458 1.00 0.00 H new ATOM 0 HB THR A 55 68.868 -11.420 -8.232 1.00 0.00 H new ATOM 0 HG1 THR A 55 67.546 -12.702 -9.654 1.00 0.00 H new ATOM 0 HG21 THR A 55 69.378 -11.483 -10.654 1.00 0.00 H new ATOM 0 HG22 THR A 55 70.869 -11.371 -9.690 1.00 0.00 H new ATOM 0 HG23 THR A 55 70.388 -12.927 -10.405 1.00 0.00 H new ATOM 879 N LEU A 56 68.969 -12.294 -5.718 1.00 0.00 N ATOM 880 CA LEU A 56 68.222 -12.437 -4.473 1.00 0.00 C ATOM 881 C LEU A 56 66.830 -12.999 -4.747 1.00 0.00 C ATOM 882 O LEU A 56 66.294 -13.768 -3.950 1.00 0.00 O ATOM 883 CB LEU A 56 68.098 -11.080 -3.776 1.00 0.00 C ATOM 884 CG LEU A 56 69.487 -10.462 -3.596 1.00 0.00 C ATOM 885 CD1 LEU A 56 69.353 -9.097 -2.919 1.00 0.00 C ATOM 886 CD2 LEU A 56 70.350 -11.378 -2.725 1.00 0.00 C ATOM 0 H LEU A 56 69.152 -11.330 -5.997 1.00 0.00 H new ATOM 0 HA LEU A 56 68.762 -13.128 -3.825 1.00 0.00 H new ATOM 0 HB2 LEU A 56 67.467 -10.414 -4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 56 67.615 -11.201 -2.806 1.00 0.00 H new ATOM 0 HG LEU A 56 69.957 -10.342 -4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 56 70.341 -8.656 -2.790 1.00 0.00 H new ATOM 0 HD12 LEU A 56 68.741 -8.442 -3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 56 68.881 -9.219 -1.944 1.00 0.00 H new ATOM 0 HD21 LEU A 56 71.338 -10.935 -2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 56 69.880 -11.501 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 56 70.447 -12.351 -3.206 1.00 0.00 H new ATOM 898 N SER A 57 66.251 -12.609 -5.878 1.00 0.00 N ATOM 899 CA SER A 57 64.921 -13.081 -6.245 1.00 0.00 C ATOM 900 C SER A 57 64.931 -14.592 -6.457 1.00 0.00 C ATOM 901 O SER A 57 63.928 -15.267 -6.225 1.00 0.00 O ATOM 902 CB SER A 57 64.456 -12.388 -7.526 1.00 0.00 C ATOM 903 OG SER A 57 64.758 -13.214 -8.643 1.00 0.00 O ATOM 0 H SER A 57 66.678 -11.973 -6.551 1.00 0.00 H new ATOM 0 HA SER A 57 64.233 -12.842 -5.434 1.00 0.00 H new ATOM 0 HB2 SER A 57 63.384 -12.196 -7.481 1.00 0.00 H new ATOM 0 HB3 SER A 57 64.949 -11.421 -7.630 1.00 0.00 H new ATOM 0 HG SER A 57 65.727 -13.227 -8.787 1.00 0.00 H new ATOM 909 N ASP A 58 66.071 -15.116 -6.896 1.00 0.00 N ATOM 910 CA ASP A 58 66.201 -16.548 -7.134 1.00 0.00 C ATOM 911 C ASP A 58 65.968 -17.327 -5.844 1.00 0.00 C ATOM 912 O ASP A 58 65.799 -18.546 -5.865 1.00 0.00 O ATOM 913 CB ASP A 58 67.596 -16.863 -7.678 1.00 0.00 C ATOM 914 CG ASP A 58 67.512 -17.987 -8.705 1.00 0.00 C ATOM 915 OD1 ASP A 58 66.931 -17.762 -9.754 1.00 0.00 O ATOM 916 OD2 ASP A 58 68.031 -19.056 -8.428 1.00 0.00 O ATOM 0 H ASP A 58 66.912 -14.574 -7.093 1.00 0.00 H new ATOM 0 HA ASP A 58 65.451 -16.846 -7.866 1.00 0.00 H new ATOM 0 HB2 ASP A 58 68.027 -15.972 -8.135 1.00 0.00 H new ATOM 0 HB3 ASP A 58 68.257 -17.154 -6.861 1.00 0.00 H new ATOM 921 N TYR A 59 65.955 -16.614 -4.722 1.00 0.00 N ATOM 922 CA TYR A 59 65.740 -17.249 -3.427 1.00 0.00 C ATOM 923 C TYR A 59 64.249 -17.368 -3.138 1.00 0.00 C ATOM 924 O TYR A 59 63.847 -17.886 -2.097 1.00 0.00 O ATOM 925 CB TYR A 59 66.414 -16.430 -2.325 1.00 0.00 C ATOM 926 CG TYR A 59 66.969 -17.361 -1.274 1.00 0.00 C ATOM 927 CD1 TYR A 59 68.201 -17.995 -1.481 1.00 0.00 C ATOM 928 CD2 TYR A 59 66.254 -17.590 -0.092 1.00 0.00 C ATOM 929 CE1 TYR A 59 68.716 -18.858 -0.506 1.00 0.00 C ATOM 930 CE2 TYR A 59 66.770 -18.453 0.882 1.00 0.00 C ATOM 931 CZ TYR A 59 68.002 -19.087 0.674 1.00 0.00 C ATOM 932 OH TYR A 59 68.509 -19.938 1.636 1.00 0.00 O ATOM 0 H TYR A 59 66.090 -15.604 -4.683 1.00 0.00 H new ATOM 0 HA TYR A 59 66.177 -18.247 -3.452 1.00 0.00 H new ATOM 0 HB2 TYR A 59 67.214 -15.822 -2.747 1.00 0.00 H new ATOM 0 HB3 TYR A 59 65.696 -15.744 -1.876 1.00 0.00 H new ATOM 0 HD1 TYR A 59 68.753 -17.818 -2.392 1.00 0.00 H new ATOM 0 HD2 TYR A 59 65.305 -17.101 0.068 1.00 0.00 H new ATOM 0 HE1 TYR A 59 69.666 -19.347 -0.666 1.00 0.00 H new ATOM 0 HE2 TYR A 59 66.219 -18.630 1.794 1.00 0.00 H new ATOM 0 HH TYR A 59 67.888 -19.984 2.393 1.00 0.00 H new ATOM 942 N ASN A 60 63.434 -16.886 -4.069 1.00 0.00 N ATOM 943 CA ASN A 60 61.986 -16.941 -3.910 1.00 0.00 C ATOM 944 C ASN A 60 61.556 -16.231 -2.630 1.00 0.00 C ATOM 945 O ASN A 60 60.814 -16.788 -1.822 1.00 0.00 O ATOM 946 CB ASN A 60 61.521 -18.398 -3.868 1.00 0.00 C ATOM 947 CG ASN A 60 62.092 -19.162 -5.059 1.00 0.00 C ATOM 948 OD1 ASN A 60 61.571 -19.059 -6.170 1.00 0.00 O ATOM 949 ND2 ASN A 60 63.138 -19.924 -4.894 1.00 0.00 N ATOM 0 H ASN A 60 63.749 -16.455 -4.938 1.00 0.00 H new ATOM 0 HA ASN A 60 61.528 -16.436 -4.761 1.00 0.00 H new ATOM 0 HB2 ASN A 60 61.844 -18.865 -2.937 1.00 0.00 H new ATOM 0 HB3 ASN A 60 60.432 -18.442 -3.886 1.00 0.00 H new ATOM 0 HD21 ASN A 60 63.526 -20.436 -5.686 1.00 0.00 H new ATOM 0 HD22 ASN A 60 63.568 -20.008 -3.973 1.00 0.00 H new ATOM 956 N ILE A 61 62.028 -15.000 -2.454 1.00 0.00 N ATOM 957 CA ILE A 61 61.685 -14.222 -1.268 1.00 0.00 C ATOM 958 C ILE A 61 60.215 -14.413 -0.910 1.00 0.00 C ATOM 959 O ILE A 61 59.327 -14.132 -1.717 1.00 0.00 O ATOM 960 CB ILE A 61 61.966 -12.738 -1.516 1.00 0.00 C ATOM 961 CG1 ILE A 61 63.451 -12.461 -1.282 1.00 0.00 C ATOM 962 CG2 ILE A 61 61.130 -11.887 -0.557 1.00 0.00 C ATOM 963 CD1 ILE A 61 63.802 -11.074 -1.822 1.00 0.00 C ATOM 0 H ILE A 61 62.644 -14.523 -3.112 1.00 0.00 H new ATOM 0 HA ILE A 61 62.297 -14.572 -0.437 1.00 0.00 H new ATOM 0 HB ILE A 61 61.702 -12.485 -2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 61 63.679 -12.517 -0.218 1.00 0.00 H new ATOM 0 HG13 ILE A 61 64.056 -13.220 -1.778 1.00 0.00 H new ATOM 0 HG21 ILE A 61 61.333 -10.831 -0.736 1.00 0.00 H new ATOM 0 HG22 ILE A 61 60.071 -12.086 -0.722 1.00 0.00 H new ATOM 0 HG23 ILE A 61 61.390 -12.137 0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.861 -10.876 -1.655 1.00 0.00 H new ATOM 0 HD12 ILE A 61 63.589 -11.035 -2.890 1.00 0.00 H new ATOM 0 HD13 ILE A 61 63.206 -10.321 -1.306 1.00 0.00 H new ATOM 975 N GLN A 62 59.963 -14.895 0.303 1.00 0.00 N ATOM 976 CA GLN A 62 58.595 -15.124 0.755 1.00 0.00 C ATOM 977 C GLN A 62 58.098 -13.945 1.586 1.00 0.00 C ATOM 978 O GLN A 62 58.889 -13.130 2.059 1.00 0.00 O ATOM 979 CB GLN A 62 58.529 -16.403 1.590 1.00 0.00 C ATOM 980 CG GLN A 62 59.262 -17.529 0.860 1.00 0.00 C ATOM 981 CD GLN A 62 59.080 -18.843 1.609 1.00 0.00 C ATOM 982 OE1 GLN A 62 59.385 -19.911 1.076 1.00 0.00 O ATOM 983 NE2 GLN A 62 58.598 -18.832 2.823 1.00 0.00 N ATOM 0 H GLN A 62 60.682 -15.133 0.986 1.00 0.00 H new ATOM 0 HA GLN A 62 57.956 -15.229 -0.122 1.00 0.00 H new ATOM 0 HB2 GLN A 62 58.981 -16.235 2.568 1.00 0.00 H new ATOM 0 HB3 GLN A 62 57.490 -16.684 1.763 1.00 0.00 H new ATOM 0 HG2 GLN A 62 58.879 -17.624 -0.156 1.00 0.00 H new ATOM 0 HG3 GLN A 62 60.323 -17.291 0.780 1.00 0.00 H new ATOM 0 HE21 GLN A 62 58.346 -17.947 3.264 1.00 0.00 H new ATOM 0 HE22 GLN A 62 58.474 -19.708 3.330 1.00 0.00 H new ATOM 992 N LYS A 63 56.783 -13.864 1.756 1.00 0.00 N ATOM 993 CA LYS A 63 56.189 -12.780 2.531 1.00 0.00 C ATOM 994 C LYS A 63 56.718 -12.790 3.961 1.00 0.00 C ATOM 995 O LYS A 63 57.444 -13.700 4.359 1.00 0.00 O ATOM 996 CB LYS A 63 54.666 -12.928 2.547 1.00 0.00 C ATOM 997 CG LYS A 63 54.295 -14.379 2.863 1.00 0.00 C ATOM 998 CD LYS A 63 52.791 -14.479 3.113 1.00 0.00 C ATOM 999 CE LYS A 63 52.411 -15.940 3.366 1.00 0.00 C ATOM 1000 NZ LYS A 63 52.143 -16.617 2.067 1.00 0.00 N ATOM 0 H LYS A 63 56.113 -14.530 1.371 1.00 0.00 H new ATOM 0 HA LYS A 63 56.459 -11.833 2.064 1.00 0.00 H new ATOM 0 HB2 LYS A 63 54.233 -12.261 3.292 1.00 0.00 H new ATOM 0 HB3 LYS A 63 54.252 -12.638 1.581 1.00 0.00 H new ATOM 0 HG2 LYS A 63 54.580 -15.027 2.034 1.00 0.00 H new ATOM 0 HG3 LYS A 63 54.844 -14.723 3.740 1.00 0.00 H new ATOM 0 HD2 LYS A 63 52.513 -13.866 3.970 1.00 0.00 H new ATOM 0 HD3 LYS A 63 52.242 -14.093 2.254 1.00 0.00 H new ATOM 0 HE2 LYS A 63 53.217 -16.450 3.894 1.00 0.00 H new ATOM 0 HE3 LYS A 63 51.529 -15.992 4.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 51.885 -17.610 2.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 51.361 -16.136 1.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 52.996 -16.579 1.473 1.00 0.00 H new ATOM 1014 N GLU A 64 56.346 -11.771 4.730 1.00 0.00 N ATOM 1015 CA GLU A 64 56.787 -11.671 6.117 1.00 0.00 C ATOM 1016 C GLU A 64 58.309 -11.720 6.203 1.00 0.00 C ATOM 1017 O GLU A 64 58.870 -12.136 7.216 1.00 0.00 O ATOM 1018 CB GLU A 64 56.190 -12.815 6.938 1.00 0.00 C ATOM 1019 CG GLU A 64 54.663 -12.728 6.901 1.00 0.00 C ATOM 1020 CD GLU A 64 54.053 -14.007 7.465 1.00 0.00 C ATOM 1021 OE1 GLU A 64 53.135 -14.523 6.849 1.00 0.00 O ATOM 1022 OE2 GLU A 64 54.513 -14.452 8.504 1.00 0.00 O ATOM 0 H GLU A 64 55.745 -11.008 4.419 1.00 0.00 H new ATOM 0 HA GLU A 64 56.444 -10.718 6.519 1.00 0.00 H new ATOM 0 HB2 GLU A 64 56.520 -13.774 6.538 1.00 0.00 H new ATOM 0 HB3 GLU A 64 56.543 -12.760 7.968 1.00 0.00 H new ATOM 0 HG2 GLU A 64 54.326 -11.868 7.480 1.00 0.00 H new ATOM 0 HG3 GLU A 64 54.324 -12.575 5.876 1.00 0.00 H new ATOM 1029 N SER A 65 58.971 -11.286 5.135 1.00 0.00 N ATOM 1030 CA SER A 65 60.429 -11.283 5.104 1.00 0.00 C ATOM 1031 C SER A 65 60.969 -9.898 5.446 1.00 0.00 C ATOM 1032 O SER A 65 60.592 -8.905 4.823 1.00 0.00 O ATOM 1033 CB SER A 65 60.923 -11.697 3.717 1.00 0.00 C ATOM 1034 OG SER A 65 60.976 -13.116 3.642 1.00 0.00 O ATOM 0 H SER A 65 58.526 -10.935 4.287 1.00 0.00 H new ATOM 0 HA SER A 65 60.791 -11.995 5.846 1.00 0.00 H new ATOM 0 HB2 SER A 65 60.256 -11.305 2.949 1.00 0.00 H new ATOM 0 HB3 SER A 65 61.910 -11.274 3.528 1.00 0.00 H new ATOM 0 HG SER A 65 60.158 -13.452 3.219 1.00 0.00 H new ATOM 1040 N THR A 66 61.850 -9.840 6.437 1.00 0.00 N ATOM 1041 CA THR A 66 62.435 -8.569 6.855 1.00 0.00 C ATOM 1042 C THR A 66 63.668 -8.248 6.015 1.00 0.00 C ATOM 1043 O THR A 66 64.695 -8.917 6.123 1.00 0.00 O ATOM 1044 CB THR A 66 62.823 -8.634 8.333 1.00 0.00 C ATOM 1045 OG1 THR A 66 61.750 -9.191 9.079 1.00 0.00 O ATOM 1046 CG2 THR A 66 63.127 -7.226 8.845 1.00 0.00 C ATOM 0 H THR A 66 62.174 -10.651 6.964 1.00 0.00 H new ATOM 0 HA THR A 66 61.695 -7.782 6.710 1.00 0.00 H new ATOM 0 HB THR A 66 63.709 -9.259 8.449 1.00 0.00 H new ATOM 0 HG1 THR A 66 61.998 -9.235 10.026 1.00 0.00 H new ATOM 0 HG21 THR A 66 63.403 -7.274 9.898 1.00 0.00 H new ATOM 0 HG22 THR A 66 63.951 -6.801 8.272 1.00 0.00 H new ATOM 0 HG23 THR A 66 62.243 -6.598 8.730 1.00 0.00 H new ATOM 1054 N LEU A 67 63.558 -7.219 5.181 1.00 0.00 N ATOM 1055 CA LEU A 67 64.671 -6.816 4.329 1.00 0.00 C ATOM 1056 C LEU A 67 65.423 -5.644 4.950 1.00 0.00 C ATOM 1057 O LEU A 67 64.824 -4.783 5.595 1.00 0.00 O ATOM 1058 CB LEU A 67 64.151 -6.419 2.946 1.00 0.00 C ATOM 1059 CG LEU A 67 63.646 -7.661 2.210 1.00 0.00 C ATOM 1060 CD1 LEU A 67 62.247 -7.393 1.654 1.00 0.00 C ATOM 1061 CD2 LEU A 67 64.596 -7.993 1.058 1.00 0.00 C ATOM 0 H LEU A 67 62.716 -6.653 5.077 1.00 0.00 H new ATOM 0 HA LEU A 67 65.355 -7.659 4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 67 63.346 -5.690 3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 67 64.945 -5.941 2.372 1.00 0.00 H new ATOM 0 HG LEU A 67 63.606 -8.501 2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 67 61.888 -8.279 1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 67 61.569 -7.157 2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 67 62.286 -6.552 0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 67 64.236 -8.878 0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 67 64.636 -7.152 0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 67 65.593 -8.186 1.453 1.00 0.00 H new ATOM 1073 N HIS A 68 66.736 -5.615 4.752 1.00 0.00 N ATOM 1074 CA HIS A 68 67.557 -4.543 5.300 1.00 0.00 C ATOM 1075 C HIS A 68 67.842 -3.485 4.238 1.00 0.00 C ATOM 1076 O HIS A 68 68.248 -3.811 3.122 1.00 0.00 O ATOM 1077 CB HIS A 68 68.878 -5.109 5.822 1.00 0.00 C ATOM 1078 CG HIS A 68 68.601 -6.046 6.963 1.00 0.00 C ATOM 1079 ND1 HIS A 68 68.265 -7.376 6.762 1.00 0.00 N ATOM 1080 CD2 HIS A 68 68.601 -5.863 8.324 1.00 0.00 C ATOM 1081 CE1 HIS A 68 68.079 -7.936 7.971 1.00 0.00 C ATOM 1082 NE2 HIS A 68 68.272 -7.057 8.957 1.00 0.00 N ATOM 0 H HIS A 68 67.251 -6.316 4.220 1.00 0.00 H new ATOM 0 HA HIS A 68 67.010 -4.080 6.121 1.00 0.00 H new ATOM 0 HB2 HIS A 68 69.402 -5.635 5.024 1.00 0.00 H new ATOM 0 HB3 HIS A 68 69.529 -4.299 6.151 1.00 0.00 H new ATOM 0 HD2 HIS A 68 68.823 -4.933 8.827 1.00 0.00 H new ATOM 0 HE1 HIS A 68 67.807 -8.970 8.125 1.00 0.00 H new ATOM 0 HE2 HIS A 68 68.195 -7.225 9.960 1.00 0.00 H new ATOM 1090 N LEU A 69 67.627 -2.220 4.596 1.00 0.00 N ATOM 1091 CA LEU A 69 67.865 -1.117 3.671 1.00 0.00 C ATOM 1092 C LEU A 69 68.903 -0.159 4.245 1.00 0.00 C ATOM 1093 O LEU A 69 68.716 0.399 5.326 1.00 0.00 O ATOM 1094 CB LEU A 69 66.552 -0.372 3.394 1.00 0.00 C ATOM 1095 CG LEU A 69 66.733 0.610 2.220 1.00 0.00 C ATOM 1096 CD1 LEU A 69 65.365 1.107 1.753 1.00 0.00 C ATOM 1097 CD2 LEU A 69 67.582 1.816 2.641 1.00 0.00 C ATOM 0 H LEU A 69 67.290 -1.936 5.516 1.00 0.00 H new ATOM 0 HA LEU A 69 68.247 -1.521 2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 69 65.762 -1.086 3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 69 66.238 0.170 4.286 1.00 0.00 H new ATOM 0 HG LEU A 69 67.241 0.085 1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 69 65.494 1.801 0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 69 64.762 0.260 1.427 1.00 0.00 H new ATOM 0 HD13 LEU A 69 64.862 1.615 2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 69 67.695 2.494 1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 69 67.090 2.338 3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 69 68.565 1.474 2.966 1.00 0.00 H new ATOM 1109 N VAL A 70 69.995 0.024 3.507 1.00 0.00 N ATOM 1110 CA VAL A 70 71.069 0.912 3.938 1.00 0.00 C ATOM 1111 C VAL A 70 71.271 2.040 2.932 1.00 0.00 C ATOM 1112 O VAL A 70 71.089 1.852 1.728 1.00 0.00 O ATOM 1113 CB VAL A 70 72.369 0.123 4.088 1.00 0.00 C ATOM 1114 CG1 VAL A 70 73.374 0.934 4.908 1.00 0.00 C ATOM 1115 CG2 VAL A 70 72.081 -1.200 4.801 1.00 0.00 C ATOM 0 H VAL A 70 70.159 -0.431 2.609 1.00 0.00 H new ATOM 0 HA VAL A 70 70.792 1.344 4.899 1.00 0.00 H new ATOM 0 HB VAL A 70 72.786 -0.076 3.101 1.00 0.00 H new ATOM 0 HG11 VAL A 70 74.299 0.368 5.013 1.00 0.00 H new ATOM 0 HG12 VAL A 70 73.581 1.877 4.401 1.00 0.00 H new ATOM 0 HG13 VAL A 70 72.959 1.136 5.895 1.00 0.00 H new ATOM 0 HG21 VAL A 70 73.007 -1.764 4.909 1.00 0.00 H new ATOM 0 HG22 VAL A 70 71.662 -0.998 5.787 1.00 0.00 H new ATOM 0 HG23 VAL A 70 71.368 -1.781 4.216 1.00 0.00 H new ATOM 1125 N LEU A 71 71.648 3.211 3.433 1.00 0.00 N ATOM 1126 CA LEU A 71 71.874 4.366 2.572 1.00 0.00 C ATOM 1127 C LEU A 71 73.363 4.534 2.282 1.00 0.00 C ATOM 1128 O LEU A 71 74.206 4.287 3.145 1.00 0.00 O ATOM 1129 CB LEU A 71 71.341 5.633 3.246 1.00 0.00 C ATOM 1130 CG LEU A 71 69.873 5.433 3.629 1.00 0.00 C ATOM 1131 CD1 LEU A 71 69.360 6.681 4.350 1.00 0.00 C ATOM 1132 CD2 LEU A 71 69.037 5.195 2.368 1.00 0.00 C ATOM 0 H LEU A 71 71.803 3.385 4.426 1.00 0.00 H new ATOM 0 HA LEU A 71 71.346 4.203 1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 71 71.931 5.860 4.134 1.00 0.00 H new ATOM 0 HB3 LEU A 71 71.439 6.484 2.572 1.00 0.00 H new ATOM 0 HG LEU A 71 69.788 4.568 4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 71 68.314 6.539 4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 71 69.951 6.850 5.250 1.00 0.00 H new ATOM 0 HD13 LEU A 71 69.449 7.544 3.691 1.00 0.00 H new ATOM 0 HD21 LEU A 71 67.992 5.053 2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 71 69.123 6.057 1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 71 69.400 4.305 1.853 1.00 0.00 H new ATOM 1144 N ARG A 72 73.677 4.956 1.061 1.00 0.00 N ATOM 1145 CA ARG A 72 75.067 5.155 0.666 1.00 0.00 C ATOM 1146 C ARG A 72 75.421 6.639 0.685 1.00 0.00 C ATOM 1147 O ARG A 72 75.052 7.385 -0.222 1.00 0.00 O ATOM 1148 CB ARG A 72 75.296 4.591 -0.738 1.00 0.00 C ATOM 1149 CG ARG A 72 75.313 3.063 -0.681 1.00 0.00 C ATOM 1150 CD ARG A 72 76.753 2.562 -0.804 1.00 0.00 C ATOM 1151 NE ARG A 72 77.585 3.159 0.233 1.00 0.00 N ATOM 1152 CZ ARG A 72 78.786 2.668 0.519 1.00 0.00 C ATOM 1153 NH1 ARG A 72 79.511 3.219 1.455 1.00 0.00 N ATOM 1154 NH2 ARG A 72 79.241 1.632 -0.132 1.00 0.00 N ATOM 0 H ARG A 72 72.994 5.165 0.333 1.00 0.00 H new ATOM 0 HA ARG A 72 75.707 4.631 1.376 1.00 0.00 H new ATOM 0 HB2 ARG A 72 74.508 4.931 -1.410 1.00 0.00 H new ATOM 0 HB3 ARG A 72 76.240 4.960 -1.140 1.00 0.00 H new ATOM 0 HG2 ARG A 72 74.876 2.719 0.257 1.00 0.00 H new ATOM 0 HG3 ARG A 72 74.704 2.652 -1.486 1.00 0.00 H new ATOM 0 HD2 ARG A 72 76.776 1.476 -0.718 1.00 0.00 H new ATOM 0 HD3 ARG A 72 77.150 2.813 -1.788 1.00 0.00 H new ATOM 0 HE ARG A 72 77.239 3.968 0.748 1.00 0.00 H new ATOM 0 HH11 ARG A 72 79.155 4.026 1.967 1.00 0.00 H new ATOM 0 HH12 ARG A 72 80.433 2.842 1.674 1.00 0.00 H new ATOM 0 HH21 ARG A 72 78.674 1.199 -0.861 1.00 0.00 H new ATOM 0 HH22 ARG A 72 80.163 1.256 0.088 1.00 0.00 H new ATOM 1168 N LEU A 73 76.138 7.058 1.721 1.00 0.00 N ATOM 1169 CA LEU A 73 76.535 8.455 1.846 1.00 0.00 C ATOM 1170 C LEU A 73 77.650 8.604 2.878 1.00 0.00 C ATOM 1171 O LEU A 73 77.429 8.416 4.074 1.00 0.00 O ATOM 1172 CB LEU A 73 75.333 9.305 2.263 1.00 0.00 C ATOM 1173 CG LEU A 73 75.416 10.677 1.592 1.00 0.00 C ATOM 1174 CD1 LEU A 73 74.235 11.539 2.043 1.00 0.00 C ATOM 1175 CD2 LEU A 73 76.725 11.362 1.991 1.00 0.00 C ATOM 0 H LEU A 73 76.454 6.456 2.481 1.00 0.00 H new ATOM 0 HA LEU A 73 76.902 8.797 0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 73 74.406 8.806 1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 73 75.315 9.420 3.347 1.00 0.00 H new ATOM 0 HG LEU A 73 75.384 10.553 0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 73 74.294 12.517 1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 73 73.301 11.053 1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 73 74.267 11.662 3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 73 76.784 12.340 1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 73 76.756 11.485 3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 73 77.568 10.750 1.671 1.00 0.00 H new ATOM 1187 N ARG A 74 78.845 8.942 2.406 1.00 0.00 N ATOM 1188 CA ARG A 74 79.988 9.111 3.298 1.00 0.00 C ATOM 1189 C ARG A 74 80.202 10.588 3.618 1.00 0.00 C ATOM 1190 O ARG A 74 80.261 11.426 2.717 1.00 0.00 O ATOM 1191 CB ARG A 74 81.248 8.540 2.647 1.00 0.00 C ATOM 1192 CG ARG A 74 81.180 7.011 2.662 1.00 0.00 C ATOM 1193 CD ARG A 74 82.337 6.439 1.842 1.00 0.00 C ATOM 1194 NE ARG A 74 82.410 4.992 2.014 1.00 0.00 N ATOM 1195 CZ ARG A 74 83.019 4.224 1.115 1.00 0.00 C ATOM 1196 NH1 ARG A 74 83.068 2.931 1.290 1.00 0.00 N ATOM 1197 NH2 ARG A 74 83.567 4.761 0.060 1.00 0.00 N ATOM 0 H ARG A 74 79.047 9.103 1.419 1.00 0.00 H new ATOM 0 HA ARG A 74 79.785 8.575 4.225 1.00 0.00 H new ATOM 0 HB2 ARG A 74 81.337 8.901 1.622 1.00 0.00 H new ATOM 0 HB3 ARG A 74 82.134 8.881 3.183 1.00 0.00 H new ATOM 0 HG2 ARG A 74 81.231 6.645 3.687 1.00 0.00 H new ATOM 0 HG3 ARG A 74 80.228 6.675 2.251 1.00 0.00 H new ATOM 0 HD2 ARG A 74 82.200 6.681 0.788 1.00 0.00 H new ATOM 0 HD3 ARG A 74 83.275 6.897 2.154 1.00 0.00 H new ATOM 0 HE ARG A 74 81.987 4.563 2.837 1.00 0.00 H new ATOM 0 HH11 ARG A 74 82.640 2.511 2.115 1.00 0.00 H new ATOM 0 HH12 ARG A 74 83.535 2.340 0.602 1.00 0.00 H new ATOM 0 HH21 ARG A 74 83.529 5.771 -0.076 1.00 0.00 H new ATOM 0 HH22 ARG A 74 84.034 4.171 -0.629 1.00 0.00 H new ATOM 1211 N GLY A 75 80.319 10.899 4.905 1.00 0.00 N ATOM 1212 CA GLY A 75 80.527 12.277 5.331 1.00 0.00 C ATOM 1213 C GLY A 75 79.711 12.589 6.580 1.00 0.00 C ATOM 1214 O GLY A 75 80.170 12.380 7.703 1.00 0.00 O ATOM 0 H GLY A 75 80.274 10.221 5.665 1.00 0.00 H new ATOM 0 HA2 GLY A 75 81.585 12.444 5.532 1.00 0.00 H new ATOM 0 HA3 GLY A 75 80.244 12.957 4.527 1.00 0.00 H new ATOM 1218 N GLY A 76 78.498 13.091 6.378 1.00 0.00 N ATOM 1219 CA GLY A 76 77.625 13.429 7.496 1.00 0.00 C ATOM 1220 C GLY A 76 76.616 14.501 7.096 1.00 0.00 C ATOM 1221 O GLY A 76 76.593 15.535 7.743 1.00 0.00 O ATOM 1222 OXT GLY A 76 75.883 14.272 6.148 1.00 0.00 O ATOM 0 H GLY A 76 78.099 13.272 5.457 1.00 0.00 H new ATOM 0 HA2 GLY A 76 77.098 12.536 7.834 1.00 0.00 H new ATOM 0 HA3 GLY A 76 78.223 13.783 8.336 1.00 0.00 H new TER 1226 GLY A 76