USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 828 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 CYS SG : rot 167:sc= -0.518 USER MOD Set 1.2: A 92 CYS SG : rot -122:sc= -9.33! USER MOD Single : A 1 SER N :NH3+ -142:sc= 0.0339 (180deg=-0.0152) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0234 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -2.03! X(o=-2!,f=-2.4) USER MOD Single : A 18 THR OG1 : rot 2:sc= 0.778 USER MOD Single : A 20 THR OG1 : rot -73:sc= 0.247 USER MOD Single : A 21 THR OG1 : rot 80:sc=-0.00544 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.217 K(o=-0.22,f=-1.5!) USER MOD Single : A 36 ASN : amide:sc= -0.858 X(o=-0.86,f=-1.2) USER MOD Single : A 37 ASN : amide:sc= -0.0073 X(o=-0.0073,f=0) USER MOD Single : A 49 THR OG1 : rot -91:sc= 0.377 USER MOD Single : A 52 CYS SG : rot -73:sc= -4.08! USER MOD Single : A 53 SER OG : rot 61:sc= 0.884 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00771 USER MOD Single : A 61 GLN : amide:sc= -0.0248 K(o=-0.025,f=-0.65) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.047 USER MOD Single : A 75 ASN : amide:sc= -0.496 K(o=-0.5,f=-2.4!) USER MOD Single : A 77 MET CE :methyl 147:sc= -0.489 (180deg=-2.56!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 150:sc= -2.19 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -4.18! C(o=-4.2!,f=-11!) USER MOD Single : A 95 CYS SG : rot 180:sc= 0.0731 USER MOD Single : A 97 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 100 MET CE :methyl 147:sc= -4.58! (180deg=-8.75!) USER MOD Single : A 102 ASN : amide:sc= -3.05! C(o=-3!,f=-9.5!) USER MOD Single : A 103 MET CE :methyl 162:sc= -0.171 (180deg=-0.591) USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.0461 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 18.905 22.718 -7.619 1.00 0.00 N ATOM 2 CA SER A 1 18.195 23.677 -8.448 1.00 0.00 C ATOM 3 C SER A 1 16.691 23.586 -8.184 1.00 0.00 C ATOM 4 O SER A 1 16.039 24.597 -7.932 1.00 0.00 O ATOM 5 CB SER A 1 18.488 23.445 -9.932 1.00 0.00 C ATOM 6 OG SER A 1 18.325 22.078 -10.301 1.00 0.00 O ATOM 0 H1 SER A 1 19.797 23.138 -7.288 1.00 0.00 H new ATOM 0 H2 SER A 1 18.317 22.465 -6.800 1.00 0.00 H new ATOM 0 H3 SER A 1 19.111 21.864 -8.175 1.00 0.00 H new ATOM 0 HA SER A 1 18.543 24.677 -8.188 1.00 0.00 H new ATOM 0 HB2 SER A 1 17.823 24.065 -10.534 1.00 0.00 H new ATOM 0 HB3 SER A 1 19.507 23.761 -10.154 1.00 0.00 H new ATOM 0 HG SER A 1 18.519 21.971 -11.256 1.00 0.00 H new ATOM 12 N SER A 2 16.184 22.363 -8.250 1.00 0.00 N ATOM 13 CA SER A 2 14.769 22.126 -8.021 1.00 0.00 C ATOM 14 C SER A 2 14.522 20.638 -7.766 1.00 0.00 C ATOM 15 O SER A 2 14.239 19.885 -8.696 1.00 0.00 O ATOM 16 CB SER A 2 13.931 22.609 -9.206 1.00 0.00 C ATOM 17 OG SER A 2 13.030 23.648 -8.836 1.00 0.00 O ATOM 0 H SER A 2 16.728 21.526 -8.459 1.00 0.00 H new ATOM 0 HA SER A 2 14.465 22.693 -7.141 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.592 22.967 -9.995 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.368 21.771 -9.617 1.00 0.00 H new ATOM 0 HG SER A 2 12.515 23.929 -9.621 1.00 0.00 H new ATOM 23 N SER A 3 14.637 20.260 -6.501 1.00 0.00 N ATOM 24 CA SER A 3 14.430 18.875 -6.113 1.00 0.00 C ATOM 25 C SER A 3 13.489 18.805 -4.909 1.00 0.00 C ATOM 26 O SER A 3 13.896 19.076 -3.780 1.00 0.00 O ATOM 27 CB SER A 3 15.759 18.189 -5.788 1.00 0.00 C ATOM 28 OG SER A 3 15.898 16.946 -6.471 1.00 0.00 O ATOM 0 H SER A 3 14.871 20.888 -5.732 1.00 0.00 H new ATOM 0 HA SER A 3 13.976 18.349 -6.953 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.583 18.847 -6.062 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.828 18.022 -4.713 1.00 0.00 H new ATOM 0 HG SER A 3 16.759 16.540 -6.239 1.00 0.00 H new ATOM 34 N GLU A 4 12.247 18.439 -5.189 1.00 0.00 N ATOM 35 CA GLU A 4 11.244 18.329 -4.144 1.00 0.00 C ATOM 36 C GLU A 4 9.902 17.898 -4.738 1.00 0.00 C ATOM 37 O GLU A 4 9.474 18.427 -5.762 1.00 0.00 O ATOM 38 CB GLU A 4 11.106 19.645 -3.376 1.00 0.00 C ATOM 39 CG GLU A 4 11.085 20.839 -4.334 1.00 0.00 C ATOM 40 CD GLU A 4 10.333 22.022 -3.719 1.00 0.00 C ATOM 41 OE1 GLU A 4 10.562 22.361 -2.549 1.00 0.00 O ATOM 42 OE2 GLU A 4 9.485 22.596 -4.505 1.00 0.00 O ATOM 0 H GLU A 4 11.912 18.215 -6.126 1.00 0.00 H new ATOM 0 HA GLU A 4 11.568 17.565 -3.437 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.190 19.631 -2.786 1.00 0.00 H new ATOM 0 HB3 GLU A 4 11.935 19.750 -2.676 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.106 21.137 -4.572 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.610 20.549 -5.272 1.00 0.00 H new ATOM 50 N ASP A 5 9.275 16.941 -4.070 1.00 0.00 N ATOM 51 CA ASP A 5 7.990 16.433 -4.519 1.00 0.00 C ATOM 52 C ASP A 5 7.722 15.080 -3.856 1.00 0.00 C ATOM 53 O ASP A 5 8.585 14.204 -3.852 1.00 0.00 O ATOM 54 CB ASP A 5 7.979 16.226 -6.035 1.00 0.00 C ATOM 55 CG ASP A 5 6.941 15.223 -6.543 1.00 0.00 C ATOM 56 OD1 ASP A 5 5.770 15.570 -6.756 1.00 0.00 O ATOM 57 OD2 ASP A 5 7.383 14.025 -6.723 1.00 0.00 O ATOM 0 H ASP A 5 9.633 16.504 -3.221 1.00 0.00 H new ATOM 0 HA ASP A 5 7.226 17.162 -4.249 1.00 0.00 H new ATOM 0 HB2 ASP A 5 7.799 17.187 -6.517 1.00 0.00 H new ATOM 0 HB3 ASP A 5 8.968 15.892 -6.348 1.00 0.00 H new ATOM 63 N LYS A 6 6.520 14.953 -3.309 1.00 0.00 N ATOM 64 CA LYS A 6 6.127 13.723 -2.645 1.00 0.00 C ATOM 65 C LYS A 6 4.605 13.690 -2.499 1.00 0.00 C ATOM 66 O LYS A 6 3.982 14.717 -2.235 1.00 0.00 O ATOM 67 CB LYS A 6 6.875 13.567 -1.319 1.00 0.00 C ATOM 68 CG LYS A 6 8.323 13.132 -1.553 1.00 0.00 C ATOM 69 CD LYS A 6 9.280 14.319 -1.425 1.00 0.00 C ATOM 70 CE LYS A 6 9.835 14.426 -0.003 1.00 0.00 C ATOM 0 H LYS A 6 5.807 15.682 -3.313 1.00 0.00 H new ATOM 0 HA LYS A 6 6.408 12.859 -3.247 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.859 14.512 -0.775 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.367 12.831 -0.695 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.596 12.361 -0.832 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.418 12.689 -2.545 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.102 14.206 -2.132 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.759 15.240 -1.686 1.00 0.00 H new ATOM 84 N ILE A 7 4.050 12.501 -2.680 1.00 0.00 N ATOM 85 CA ILE A 7 2.613 12.321 -2.573 1.00 0.00 C ATOM 86 C ILE A 7 2.249 12.006 -1.120 1.00 0.00 C ATOM 87 O ILE A 7 3.129 11.774 -0.293 1.00 0.00 O ATOM 88 CB ILE A 7 2.128 11.267 -3.570 1.00 0.00 C ATOM 89 CG1 ILE A 7 2.340 9.855 -3.021 1.00 0.00 C ATOM 90 CG2 ILE A 7 2.792 11.458 -4.935 1.00 0.00 C ATOM 91 CD1 ILE A 7 2.031 8.801 -4.086 1.00 0.00 C ATOM 0 H ILE A 7 4.571 11.652 -2.900 1.00 0.00 H new ATOM 0 HA ILE A 7 2.094 13.241 -2.840 1.00 0.00 H new ATOM 0 HB ILE A 7 1.055 11.399 -3.713 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.370 9.744 -2.682 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.700 9.699 -2.153 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.430 10.696 -5.625 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.546 12.446 -5.324 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.873 11.368 -4.829 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.190 7.806 -3.670 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.993 8.900 -4.405 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.689 8.945 -4.943 1.00 0.00 H new ATOM 103 N THR A 8 0.951 12.010 -0.854 1.00 0.00 N ATOM 104 CA THR A 8 0.460 11.727 0.484 1.00 0.00 C ATOM 105 C THR A 8 -0.244 10.369 0.519 1.00 0.00 C ATOM 106 O THR A 8 -1.005 10.038 -0.389 1.00 0.00 O ATOM 107 CB THR A 8 -0.438 12.889 0.913 1.00 0.00 C ATOM 108 OG1 THR A 8 0.428 14.021 0.901 1.00 0.00 O ATOM 109 CG2 THR A 8 -0.885 12.776 2.372 1.00 0.00 C ATOM 0 H THR A 8 0.224 12.205 -1.543 1.00 0.00 H new ATOM 0 HA THR A 8 1.280 11.650 1.198 1.00 0.00 H new ATOM 0 HB THR A 8 -1.315 12.927 0.267 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.074 14.820 1.166 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.520 13.625 2.625 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.445 11.851 2.511 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.010 12.771 3.021 1.00 0.00 H new ATOM 117 N VAL A 9 0.035 9.621 1.575 1.00 0.00 N ATOM 118 CA VAL A 9 -0.563 8.307 1.740 1.00 0.00 C ATOM 119 C VAL A 9 -1.155 8.193 3.146 1.00 0.00 C ATOM 120 O VAL A 9 -0.597 8.726 4.103 1.00 0.00 O ATOM 121 CB VAL A 9 0.472 7.221 1.438 1.00 0.00 C ATOM 122 CG1 VAL A 9 -0.153 5.826 1.533 1.00 0.00 C ATOM 123 CG2 VAL A 9 1.114 7.441 0.067 1.00 0.00 C ATOM 0 H VAL A 9 0.667 9.899 2.325 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.379 8.167 1.032 1.00 0.00 H new ATOM 0 HB VAL A 9 1.258 7.289 2.191 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.604 5.073 1.314 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.541 5.669 2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.967 5.742 0.813 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.845 6.655 -0.122 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.344 7.413 -0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.611 8.411 0.049 1.00 0.00 H new ATOM 133 N HIS A 10 -2.278 7.495 3.225 1.00 0.00 N ATOM 134 CA HIS A 10 -2.953 7.305 4.498 1.00 0.00 C ATOM 135 C HIS A 10 -3.127 5.810 4.769 1.00 0.00 C ATOM 136 O HIS A 10 -3.405 5.038 3.852 1.00 0.00 O ATOM 137 CB HIS A 10 -4.277 8.071 4.531 1.00 0.00 C ATOM 138 CG HIS A 10 -4.134 9.555 4.295 1.00 0.00 C ATOM 139 ND1 HIS A 10 -4.324 10.495 5.293 1.00 0.00 N ATOM 140 CD2 HIS A 10 -3.817 10.253 3.166 1.00 0.00 C ATOM 141 CE1 HIS A 10 -4.129 11.700 4.777 1.00 0.00 C ATOM 0 H HIS A 10 -2.738 7.054 2.428 1.00 0.00 H new ATOM 0 HA HIS A 10 -2.342 7.716 5.302 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.944 7.656 3.775 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -4.753 7.912 5.498 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -4.572 10.294 6.262 1.00 0.00 H new ATOM 150 N PHE A 11 -2.957 5.445 6.031 1.00 0.00 N ATOM 151 CA PHE A 11 -3.090 4.056 6.434 1.00 0.00 C ATOM 152 C PHE A 11 -4.016 3.923 7.645 1.00 0.00 C ATOM 153 O PHE A 11 -3.725 4.456 8.714 1.00 0.00 O ATOM 154 CB PHE A 11 -1.694 3.564 6.817 1.00 0.00 C ATOM 155 CG PHE A 11 -0.728 3.449 5.636 1.00 0.00 C ATOM 156 CD1 PHE A 11 -0.216 4.571 5.065 1.00 0.00 C ATOM 157 CD2 PHE A 11 -0.383 2.224 5.158 1.00 0.00 C ATOM 158 CE1 PHE A 11 0.681 4.464 3.968 1.00 0.00 C ATOM 159 CE2 PHE A 11 0.513 2.116 4.061 1.00 0.00 C ATOM 160 CZ PHE A 11 1.026 3.239 3.490 1.00 0.00 C ATOM 0 H PHE A 11 -2.728 6.088 6.789 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.516 3.472 5.618 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.270 4.245 7.555 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.783 2.589 7.297 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.491 5.544 5.445 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.790 1.333 5.612 1.00 0.00 H new ATOM 0 HE1 PHE A 11 1.088 5.355 3.514 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.787 1.143 3.681 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.708 3.157 2.656 1.00 0.00 H new ATOM 170 N ILE A 12 -5.112 3.209 7.436 1.00 0.00 N ATOM 171 CA ILE A 12 -6.082 2.999 8.498 1.00 0.00 C ATOM 172 C ILE A 12 -5.681 1.768 9.313 1.00 0.00 C ATOM 173 O ILE A 12 -5.797 0.640 8.838 1.00 0.00 O ATOM 174 CB ILE A 12 -7.497 2.921 7.923 1.00 0.00 C ATOM 175 CG1 ILE A 12 -7.755 4.068 6.944 1.00 0.00 C ATOM 176 CG2 ILE A 12 -8.542 2.877 9.040 1.00 0.00 C ATOM 177 CD1 ILE A 12 -8.895 3.724 5.983 1.00 0.00 C ATOM 0 H ILE A 12 -5.350 2.769 6.547 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.087 3.847 9.182 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.586 1.991 7.362 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.002 4.974 7.497 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.848 4.278 6.377 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.539 2.822 8.603 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.370 2.000 9.665 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.462 3.778 9.649 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.057 4.556 5.298 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.634 2.832 5.414 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.806 3.539 6.551 1.00 0.00 H new ATOM 189 N ASN A 13 -5.217 2.027 10.526 1.00 0.00 N ATOM 190 CA ASN A 13 -4.797 0.954 11.413 1.00 0.00 C ATOM 191 C ASN A 13 -5.910 -0.092 11.502 1.00 0.00 C ATOM 192 O ASN A 13 -7.088 0.237 11.370 1.00 0.00 O ATOM 193 CB ASN A 13 -4.527 1.480 12.824 1.00 0.00 C ATOM 194 CG ASN A 13 -3.403 0.689 13.497 1.00 0.00 C ATOM 195 OD1 ASN A 13 -3.556 -0.462 13.873 1.00 0.00 O ATOM 196 ND2 ASN A 13 -2.267 1.369 13.628 1.00 0.00 N ATOM 0 H ASN A 13 -5.122 2.965 10.916 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.882 0.520 11.009 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.257 2.535 12.777 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.435 1.410 13.422 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.457 0.929 14.065 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.206 2.330 13.291 1.00 0.00 H new ATOM 203 N ARG A 14 -5.498 -1.331 11.726 1.00 0.00 N ATOM 204 CA ARG A 14 -6.446 -2.427 11.834 1.00 0.00 C ATOM 205 C ARG A 14 -7.419 -2.175 12.987 1.00 0.00 C ATOM 206 O ARG A 14 -8.454 -2.832 13.086 1.00 0.00 O ATOM 207 CB ARG A 14 -5.726 -3.756 12.064 1.00 0.00 C ATOM 208 CG ARG A 14 -4.833 -3.689 13.305 1.00 0.00 C ATOM 209 CD ARG A 14 -3.624 -4.616 13.162 1.00 0.00 C ATOM 210 NE ARG A 14 -2.704 -4.430 14.306 1.00 0.00 N ATOM 211 CZ ARG A 14 -2.955 -4.869 15.558 1.00 0.00 C ATOM 212 NH1 ARG A 14 -4.101 -5.527 15.836 1.00 0.00 N ATOM 213 NH2 ARG A 14 -2.063 -4.648 16.505 1.00 0.00 N ATOM 0 H ARG A 14 -4.520 -1.600 11.836 1.00 0.00 H new ATOM 0 HA ARG A 14 -6.997 -2.483 10.895 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.458 -4.555 12.181 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.123 -4.003 11.190 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.494 -2.664 13.458 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -5.409 -3.970 14.187 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.955 -5.654 13.116 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.103 -4.406 12.228 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.825 -3.940 14.138 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -4.784 -5.696 15.098 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.283 -5.856 16.784 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.199 -4.152 16.286 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.238 -4.973 17.456 1.00 0.00 H new ATOM 226 N ASP A 15 -7.052 -1.222 13.831 1.00 0.00 N ATOM 227 CA ASP A 15 -7.880 -0.875 14.974 1.00 0.00 C ATOM 228 C ASP A 15 -8.995 0.071 14.523 1.00 0.00 C ATOM 229 O ASP A 15 -10.081 0.073 15.099 1.00 0.00 O ATOM 230 CB ASP A 15 -7.060 -0.160 16.050 1.00 0.00 C ATOM 231 CG ASP A 15 -7.203 -0.736 17.461 1.00 0.00 C ATOM 232 OD1 ASP A 15 -7.781 -0.100 18.356 1.00 0.00 O ATOM 233 OD2 ASP A 15 -6.683 -1.905 17.627 1.00 0.00 O ATOM 0 H ASP A 15 -6.193 -0.679 13.746 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.290 -1.797 15.386 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.008 -0.192 15.765 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.353 0.890 16.071 1.00 0.00 H new ATOM 239 N GLY A 16 -8.687 0.850 13.497 1.00 0.00 N ATOM 240 CA GLY A 16 -9.649 1.798 12.962 1.00 0.00 C ATOM 241 C GLY A 16 -9.049 3.204 12.882 1.00 0.00 C ATOM 242 O GLY A 16 -9.714 4.143 12.448 1.00 0.00 O ATOM 0 H GLY A 16 -7.784 0.844 13.022 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.967 1.478 11.970 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.538 1.814 13.592 1.00 0.00 H new ATOM 246 N GLU A 17 -7.798 3.303 13.308 1.00 0.00 N ATOM 247 CA GLU A 17 -7.101 4.578 13.289 1.00 0.00 C ATOM 248 C GLU A 17 -6.787 4.990 11.850 1.00 0.00 C ATOM 249 O GLU A 17 -7.257 4.361 10.904 1.00 0.00 O ATOM 250 CB GLU A 17 -5.826 4.517 14.132 1.00 0.00 C ATOM 251 CG GLU A 17 -6.060 5.105 15.525 1.00 0.00 C ATOM 252 CD GLU A 17 -5.889 6.626 15.515 1.00 0.00 C ATOM 253 OE1 GLU A 17 -4.874 7.131 15.012 1.00 0.00 O ATOM 254 OE2 GLU A 17 -6.858 7.288 16.051 1.00 0.00 O ATOM 0 H GLU A 17 -7.250 2.522 13.668 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.753 5.333 13.728 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.494 3.483 14.221 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.028 5.066 13.631 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.063 4.851 15.867 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.360 4.662 16.233 1.00 0.00 H new ATOM 262 N THR A 18 -5.996 6.047 11.730 1.00 0.00 N ATOM 263 CA THR A 18 -5.614 6.552 10.422 1.00 0.00 C ATOM 264 C THR A 18 -4.241 7.223 10.490 1.00 0.00 C ATOM 265 O THR A 18 -4.080 8.247 11.151 1.00 0.00 O ATOM 266 CB THR A 18 -6.724 7.484 9.933 1.00 0.00 C ATOM 267 OG1 THR A 18 -7.748 6.601 9.487 1.00 0.00 O ATOM 268 CG2 THR A 18 -6.325 8.259 8.675 1.00 0.00 C ATOM 0 H THR A 18 -5.609 6.567 12.517 1.00 0.00 H new ATOM 0 HA THR A 18 -5.509 5.742 9.700 1.00 0.00 H new ATOM 0 HB THR A 18 -6.983 8.186 10.725 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.469 5.674 9.638 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.148 8.906 8.370 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.445 8.867 8.886 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.098 7.558 7.872 1.00 0.00 H new ATOM 276 N LEU A 19 -3.288 6.619 9.797 1.00 0.00 N ATOM 277 CA LEU A 19 -1.933 7.146 9.769 1.00 0.00 C ATOM 278 C LEU A 19 -1.727 7.945 8.481 1.00 0.00 C ATOM 279 O LEU A 19 -2.346 7.652 7.459 1.00 0.00 O ATOM 280 CB LEU A 19 -0.916 6.020 9.964 1.00 0.00 C ATOM 281 CG LEU A 19 -0.893 5.370 11.349 1.00 0.00 C ATOM 282 CD1 LEU A 19 -1.584 6.259 12.384 1.00 0.00 C ATOM 283 CD2 LEU A 19 -1.496 3.965 11.306 1.00 0.00 C ATOM 0 H LEU A 19 -3.426 5.769 9.250 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.775 7.834 10.599 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.115 5.245 9.224 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.078 6.414 9.753 1.00 0.00 H new ATOM 0 HG LEU A 19 0.147 5.264 11.659 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.553 5.773 13.359 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.070 7.219 12.440 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.622 6.420 12.091 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.467 3.526 12.303 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.530 4.023 10.965 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.922 3.343 10.619 1.00 0.00 H new ATOM 295 N THR A 20 -0.856 8.939 8.571 1.00 0.00 N ATOM 296 CA THR A 20 -0.561 9.782 7.426 1.00 0.00 C ATOM 297 C THR A 20 0.932 9.732 7.098 1.00 0.00 C ATOM 298 O THR A 20 1.771 9.966 7.967 1.00 0.00 O ATOM 299 CB THR A 20 -1.068 11.192 7.733 1.00 0.00 C ATOM 300 OG1 THR A 20 -2.476 11.030 7.884 1.00 0.00 O ATOM 301 CG2 THR A 20 -0.929 12.138 6.539 1.00 0.00 C ATOM 0 H THR A 20 -0.345 9.179 9.420 1.00 0.00 H new ATOM 0 HA THR A 20 -1.071 9.425 6.531 1.00 0.00 H new ATOM 0 HB THR A 20 -0.519 11.597 8.583 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.884 10.878 7.006 1.00 0.00 H new ATOM 0 HG21 THR A 20 -1.303 13.125 6.811 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.121 12.214 6.255 1.00 0.00 H new ATOM 0 HG23 THR A 20 -1.505 11.750 5.699 1.00 0.00 H new ATOM 309 N THR A 21 1.220 9.426 5.841 1.00 0.00 N ATOM 310 CA THR A 21 2.598 9.342 5.387 1.00 0.00 C ATOM 311 C THR A 21 2.695 9.715 3.906 1.00 0.00 C ATOM 312 O THR A 21 1.947 9.193 3.080 1.00 0.00 O ATOM 313 CB THR A 21 3.112 7.935 5.694 1.00 0.00 C ATOM 314 OG1 THR A 21 4.516 8.020 5.463 1.00 0.00 O ATOM 315 CG2 THR A 21 2.628 6.900 4.677 1.00 0.00 C ATOM 0 H THR A 21 0.522 9.233 5.123 1.00 0.00 H new ATOM 0 HA THR A 21 3.232 10.057 5.912 1.00 0.00 H new ATOM 0 HB THR A 21 2.789 7.640 6.693 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.951 8.432 6.239 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.021 5.918 4.941 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.538 6.867 4.681 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.979 7.176 3.682 1.00 0.00 H new ATOM 323 N LYS A 22 3.622 10.615 3.615 1.00 0.00 N ATOM 324 CA LYS A 22 3.827 11.064 2.249 1.00 0.00 C ATOM 325 C LYS A 22 4.822 10.131 1.554 1.00 0.00 C ATOM 326 O LYS A 22 5.848 9.773 2.129 1.00 0.00 O ATOM 327 CB LYS A 22 4.244 12.536 2.225 1.00 0.00 C ATOM 328 CG LYS A 22 5.687 12.705 2.702 1.00 0.00 C ATOM 329 CD LYS A 22 6.065 14.185 2.791 1.00 0.00 C ATOM 330 CE LYS A 22 5.252 14.894 3.875 1.00 0.00 C ATOM 0 H LYS A 22 4.240 11.046 4.303 1.00 0.00 H new ATOM 0 HA LYS A 22 2.894 11.012 1.687 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.143 12.930 1.214 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.577 13.117 2.861 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.808 12.236 3.678 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.363 12.194 2.016 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.129 14.280 3.009 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.892 14.667 1.829 1.00 0.00 H new ATOM 344 N GLY A 23 4.482 9.766 0.326 1.00 0.00 N ATOM 345 CA GLY A 23 5.333 8.882 -0.452 1.00 0.00 C ATOM 346 C GLY A 23 6.278 9.682 -1.351 1.00 0.00 C ATOM 347 O GLY A 23 6.825 10.702 -0.931 1.00 0.00 O ATOM 0 H GLY A 23 3.630 10.066 -0.148 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.913 8.247 0.218 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.717 8.222 -1.062 1.00 0.00 H new ATOM 351 N LYS A 24 6.443 9.189 -2.569 1.00 0.00 N ATOM 352 CA LYS A 24 7.313 9.846 -3.531 1.00 0.00 C ATOM 353 C LYS A 24 7.375 9.010 -4.810 1.00 0.00 C ATOM 354 O LYS A 24 8.311 8.237 -5.007 1.00 0.00 O ATOM 355 CB LYS A 24 8.684 10.124 -2.911 1.00 0.00 C ATOM 356 CG LYS A 24 9.318 8.836 -2.383 1.00 0.00 C ATOM 357 CD LYS A 24 10.814 8.791 -2.701 1.00 0.00 C ATOM 358 CE LYS A 24 11.070 8.104 -4.044 1.00 0.00 C ATOM 0 H LYS A 24 5.989 8.342 -2.913 1.00 0.00 H new ATOM 0 HA LYS A 24 6.910 10.821 -3.806 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.339 10.577 -3.655 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.580 10.843 -2.098 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.169 8.769 -1.305 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.822 7.973 -2.828 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.215 9.804 -2.725 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.342 8.258 -1.910 1.00 0.00 H new ATOM 372 N ILE A 25 6.365 9.193 -5.649 1.00 0.00 N ATOM 373 CA ILE A 25 6.293 8.465 -6.904 1.00 0.00 C ATOM 374 C ILE A 25 7.680 7.923 -7.255 1.00 0.00 C ATOM 375 O ILE A 25 8.498 8.632 -7.840 1.00 0.00 O ATOM 376 CB ILE A 25 5.681 9.342 -7.998 1.00 0.00 C ATOM 377 CG1 ILE A 25 5.997 8.786 -9.388 1.00 0.00 C ATOM 378 CG2 ILE A 25 6.128 10.797 -7.848 1.00 0.00 C ATOM 379 CD1 ILE A 25 5.067 7.623 -9.738 1.00 0.00 C ATOM 0 H ILE A 25 5.590 9.835 -5.484 1.00 0.00 H new ATOM 0 HA ILE A 25 5.629 7.606 -6.808 1.00 0.00 H new ATOM 0 HB ILE A 25 4.597 9.324 -7.883 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.893 9.576 -10.132 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.033 8.450 -9.422 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.679 11.399 -8.638 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.810 11.177 -6.877 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.214 10.853 -7.922 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.313 7.246 -10.731 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.191 6.825 -9.006 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.033 7.968 -9.727 1.00 0.00 H new ATOM 391 N GLY A 26 7.903 6.670 -6.883 1.00 0.00 N ATOM 392 CA GLY A 26 9.176 6.026 -7.151 1.00 0.00 C ATOM 393 C GLY A 26 9.636 5.200 -5.948 1.00 0.00 C ATOM 394 O GLY A 26 10.575 4.412 -6.053 1.00 0.00 O ATOM 0 H GLY A 26 7.223 6.085 -6.398 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.085 5.382 -8.026 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.927 6.780 -7.387 1.00 0.00 H new ATOM 398 N ASP A 27 8.955 5.410 -4.830 1.00 0.00 N ATOM 399 CA ASP A 27 9.282 4.694 -3.609 1.00 0.00 C ATOM 400 C ASP A 27 8.229 3.613 -3.359 1.00 0.00 C ATOM 401 O ASP A 27 7.071 3.767 -3.745 1.00 0.00 O ATOM 402 CB ASP A 27 9.288 5.638 -2.404 1.00 0.00 C ATOM 403 CG ASP A 27 9.608 4.971 -1.064 1.00 0.00 C ATOM 404 OD1 ASP A 27 8.876 4.083 -0.602 1.00 0.00 O ATOM 405 OD2 ASP A 27 10.672 5.406 -0.480 1.00 0.00 O ATOM 0 H ASP A 27 8.178 6.066 -4.745 1.00 0.00 H new ATOM 0 HA ASP A 27 10.273 4.255 -3.729 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.017 6.428 -2.583 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.311 6.117 -2.331 1.00 0.00 H new ATOM 411 N SER A 28 8.668 2.542 -2.713 1.00 0.00 N ATOM 412 CA SER A 28 7.777 1.436 -2.407 1.00 0.00 C ATOM 413 C SER A 28 6.812 1.836 -1.290 1.00 0.00 C ATOM 414 O SER A 28 6.763 2.999 -0.894 1.00 0.00 O ATOM 415 CB SER A 28 8.568 0.189 -2.004 1.00 0.00 C ATOM 416 OG SER A 28 8.342 -0.897 -2.898 1.00 0.00 O ATOM 0 H SER A 28 9.629 2.417 -2.393 1.00 0.00 H new ATOM 0 HA SER A 28 7.205 1.198 -3.304 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.632 0.426 -1.982 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.287 -0.108 -0.994 1.00 0.00 H new ATOM 0 HG SER A 28 8.865 -1.673 -2.608 1.00 0.00 H new ATOM 422 N LEU A 29 6.066 0.848 -0.814 1.00 0.00 N ATOM 423 CA LEU A 29 5.104 1.084 0.249 1.00 0.00 C ATOM 424 C LEU A 29 5.735 0.712 1.592 1.00 0.00 C ATOM 425 O LEU A 29 5.674 1.488 2.546 1.00 0.00 O ATOM 426 CB LEU A 29 3.795 0.345 -0.040 1.00 0.00 C ATOM 427 CG LEU A 29 2.645 1.202 -0.573 1.00 0.00 C ATOM 428 CD1 LEU A 29 1.574 0.333 -1.234 1.00 0.00 C ATOM 429 CD2 LEU A 29 2.064 2.088 0.532 1.00 0.00 C ATOM 0 H LEU A 29 6.109 -0.116 -1.145 1.00 0.00 H new ATOM 0 HA LEU A 29 4.843 2.141 0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.999 -0.445 -0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.465 -0.141 0.878 1.00 0.00 H new ATOM 0 HG LEU A 29 3.041 1.865 -1.342 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.768 0.967 -1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.014 -0.217 -2.066 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.175 -0.371 -0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.248 2.687 0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.687 1.461 1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.842 2.747 0.916 1.00 0.00 H new ATOM 441 N LEU A 30 6.326 -0.473 1.626 1.00 0.00 N ATOM 442 CA LEU A 30 6.967 -0.956 2.837 1.00 0.00 C ATOM 443 C LEU A 30 7.924 0.116 3.364 1.00 0.00 C ATOM 444 O LEU A 30 7.899 0.447 4.549 1.00 0.00 O ATOM 445 CB LEU A 30 7.637 -2.308 2.586 1.00 0.00 C ATOM 446 CG LEU A 30 7.165 -3.465 3.471 1.00 0.00 C ATOM 447 CD1 LEU A 30 5.641 -3.473 3.595 1.00 0.00 C ATOM 448 CD2 LEU A 30 7.706 -4.801 2.960 1.00 0.00 C ATOM 0 H LEU A 30 6.374 -1.113 0.834 1.00 0.00 H new ATOM 0 HA LEU A 30 6.225 -1.134 3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.475 -2.584 1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.712 -2.189 2.720 1.00 0.00 H new ATOM 0 HG LEU A 30 7.568 -3.316 4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.332 -4.304 4.229 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.307 -2.535 4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.196 -3.585 2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.356 -5.606 3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.352 -4.972 1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.796 -4.778 2.966 1.00 0.00 H new ATOM 460 N ASP A 31 8.744 0.629 2.459 1.00 0.00 N ATOM 461 CA ASP A 31 9.707 1.656 2.817 1.00 0.00 C ATOM 462 C ASP A 31 8.978 2.819 3.494 1.00 0.00 C ATOM 463 O ASP A 31 9.434 3.333 4.514 1.00 0.00 O ATOM 464 CB ASP A 31 10.418 2.201 1.578 1.00 0.00 C ATOM 465 CG ASP A 31 11.047 1.139 0.672 1.00 0.00 C ATOM 466 OD1 ASP A 31 12.255 1.171 0.396 1.00 0.00 O ATOM 467 OD2 ASP A 31 10.230 0.240 0.239 1.00 0.00 O ATOM 0 H ASP A 31 8.761 0.352 1.477 1.00 0.00 H new ATOM 0 HA ASP A 31 10.442 1.210 3.487 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.703 2.779 0.992 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.198 2.891 1.900 1.00 0.00 H new ATOM 473 N VAL A 32 7.856 3.198 2.899 1.00 0.00 N ATOM 474 CA VAL A 32 7.060 4.291 3.432 1.00 0.00 C ATOM 475 C VAL A 32 6.638 3.957 4.864 1.00 0.00 C ATOM 476 O VAL A 32 6.825 4.763 5.774 1.00 0.00 O ATOM 477 CB VAL A 32 5.872 4.570 2.509 1.00 0.00 C ATOM 478 CG1 VAL A 32 5.006 5.705 3.060 1.00 0.00 C ATOM 479 CG2 VAL A 32 6.344 4.880 1.087 1.00 0.00 C ATOM 0 H VAL A 32 7.480 2.768 2.054 1.00 0.00 H new ATOM 0 HA VAL A 32 7.647 5.208 3.471 1.00 0.00 H new ATOM 0 HB VAL A 32 5.259 3.670 2.469 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.168 5.884 2.386 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.627 5.429 4.044 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.605 6.612 3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.480 5.075 0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.989 5.758 1.101 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.899 4.028 0.694 1.00 0.00 H new ATOM 489 N VAL A 33 6.077 2.767 5.021 1.00 0.00 N ATOM 490 CA VAL A 33 5.628 2.317 6.327 1.00 0.00 C ATOM 491 C VAL A 33 6.791 2.396 7.317 1.00 0.00 C ATOM 492 O VAL A 33 6.617 2.842 8.450 1.00 0.00 O ATOM 493 CB VAL A 33 5.029 0.914 6.218 1.00 0.00 C ATOM 494 CG1 VAL A 33 5.075 0.193 7.568 1.00 0.00 C ATOM 495 CG2 VAL A 33 3.600 0.967 5.674 1.00 0.00 C ATOM 0 H VAL A 33 5.923 2.100 4.264 1.00 0.00 H new ATOM 0 HA VAL A 33 4.837 2.965 6.704 1.00 0.00 H new ATOM 0 HB VAL A 33 5.634 0.345 5.512 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.643 -0.802 7.464 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.110 0.107 7.899 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.505 0.761 8.303 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.199 -0.044 5.607 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.978 1.561 6.343 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.604 1.422 4.684 1.00 0.00 H new ATOM 505 N VAL A 34 7.952 1.957 6.854 1.00 0.00 N ATOM 506 CA VAL A 34 9.144 1.972 7.684 1.00 0.00 C ATOM 507 C VAL A 34 9.608 3.418 7.876 1.00 0.00 C ATOM 508 O VAL A 34 10.123 3.772 8.936 1.00 0.00 O ATOM 509 CB VAL A 34 10.221 1.076 7.071 1.00 0.00 C ATOM 510 CG1 VAL A 34 11.617 1.506 7.526 1.00 0.00 C ATOM 511 CG2 VAL A 34 9.965 -0.396 7.403 1.00 0.00 C ATOM 0 H VAL A 34 8.092 1.588 5.913 1.00 0.00 H new ATOM 0 HA VAL A 34 8.926 1.566 8.672 1.00 0.00 H new ATOM 0 HB VAL A 34 10.173 1.188 5.988 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.364 0.852 7.076 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.800 2.535 7.215 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.683 1.438 8.612 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.745 -1.011 6.955 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.972 -0.532 8.485 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.995 -0.695 7.006 1.00 0.00 H new ATOM 521 N GLN A 35 9.407 4.213 6.836 1.00 0.00 N ATOM 522 CA GLN A 35 9.799 5.612 6.877 1.00 0.00 C ATOM 523 C GLN A 35 8.910 6.382 7.855 1.00 0.00 C ATOM 524 O GLN A 35 9.364 7.329 8.497 1.00 0.00 O ATOM 525 CB GLN A 35 9.748 6.236 5.481 1.00 0.00 C ATOM 526 CG GLN A 35 10.794 5.607 4.560 1.00 0.00 C ATOM 527 CD GLN A 35 11.889 6.614 4.203 1.00 0.00 C ATOM 528 OE1 GLN A 35 12.109 7.599 4.889 1.00 0.00 O ATOM 529 NE2 GLN A 35 12.559 6.315 3.094 1.00 0.00 N ATOM 0 H GLN A 35 8.978 3.916 5.960 1.00 0.00 H new ATOM 0 HA GLN A 35 10.829 5.672 7.228 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.754 6.100 5.054 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.920 7.310 5.552 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.238 4.739 5.048 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.313 5.249 3.649 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.323 5.474 2.567 1.00 0.00 H new ATOM 0 HE22 GLN A 35 13.309 6.926 2.770 1.00 0.00 H new ATOM 538 N ASN A 36 7.661 5.949 7.939 1.00 0.00 N ATOM 539 CA ASN A 36 6.706 6.587 8.829 1.00 0.00 C ATOM 540 C ASN A 36 6.909 6.059 10.250 1.00 0.00 C ATOM 541 O ASN A 36 6.403 6.639 11.210 1.00 0.00 O ATOM 542 CB ASN A 36 5.269 6.273 8.408 1.00 0.00 C ATOM 543 CG ASN A 36 4.273 7.167 9.151 1.00 0.00 C ATOM 544 OD1 ASN A 36 4.572 8.285 9.537 1.00 0.00 O ATOM 545 ND2 ASN A 36 3.077 6.613 9.329 1.00 0.00 N ATOM 0 H ASN A 36 7.288 5.164 7.405 1.00 0.00 H new ATOM 0 HA ASN A 36 6.868 7.664 8.784 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.161 6.417 7.333 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.047 5.226 8.613 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.343 7.129 9.814 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.894 5.672 8.980 1.00 0.00 H new ATOM 552 N ASN A 37 7.650 4.965 10.341 1.00 0.00 N ATOM 553 CA ASN A 37 7.926 4.353 11.629 1.00 0.00 C ATOM 554 C ASN A 37 6.604 4.017 12.324 1.00 0.00 C ATOM 555 O ASN A 37 6.529 4.005 13.551 1.00 0.00 O ATOM 556 CB ASN A 37 8.706 5.306 12.536 1.00 0.00 C ATOM 557 CG ASN A 37 9.915 4.604 13.160 1.00 0.00 C ATOM 558 OD1 ASN A 37 9.800 3.585 13.822 1.00 0.00 O ATOM 559 ND2 ASN A 37 11.076 5.203 12.912 1.00 0.00 N ATOM 0 H ASN A 37 8.068 4.486 9.543 1.00 0.00 H new ATOM 0 HA ASN A 37 8.518 3.455 11.454 1.00 0.00 H new ATOM 0 HB2 ASN A 37 9.040 6.170 11.961 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.052 5.681 13.324 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.941 4.812 13.284 1.00 0.00 H new ATOM 0 HD22 ASN A 37 11.101 6.054 12.350 1.00 0.00 H new ATOM 566 N LEU A 38 5.596 3.750 11.506 1.00 0.00 N ATOM 567 CA LEU A 38 4.280 3.415 12.026 1.00 0.00 C ATOM 568 C LEU A 38 4.362 2.095 12.794 1.00 0.00 C ATOM 569 O LEU A 38 5.282 1.306 12.584 1.00 0.00 O ATOM 570 CB LEU A 38 3.245 3.408 10.900 1.00 0.00 C ATOM 571 CG LEU A 38 3.491 2.409 9.768 1.00 0.00 C ATOM 572 CD1 LEU A 38 3.131 0.987 10.204 1.00 0.00 C ATOM 573 CD2 LEU A 38 2.747 2.826 8.497 1.00 0.00 C ATOM 0 H LEU A 38 5.664 3.759 10.488 1.00 0.00 H new ATOM 0 HA LEU A 38 3.944 4.175 12.731 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.267 3.201 11.334 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.198 4.409 10.471 1.00 0.00 H new ATOM 0 HG LEU A 38 4.555 2.413 9.533 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.315 0.296 9.381 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.743 0.703 11.060 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.078 0.947 10.482 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.939 2.099 7.708 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.677 2.868 8.699 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.095 3.808 8.178 1.00 0.00 H new ATOM 585 N ASP A 39 3.387 1.895 13.669 1.00 0.00 N ATOM 586 CA ASP A 39 3.338 0.683 14.469 1.00 0.00 C ATOM 587 C ASP A 39 2.114 -0.142 14.064 1.00 0.00 C ATOM 588 O ASP A 39 1.139 -0.219 14.808 1.00 0.00 O ATOM 589 CB ASP A 39 3.212 1.011 15.959 1.00 0.00 C ATOM 590 CG ASP A 39 3.795 -0.041 16.904 1.00 0.00 C ATOM 591 OD1 ASP A 39 4.285 -1.093 16.466 1.00 0.00 O ATOM 592 OD2 ASP A 39 3.731 0.257 18.158 1.00 0.00 O ATOM 0 H ASP A 39 2.625 2.551 13.841 1.00 0.00 H new ATOM 0 HA ASP A 39 4.261 0.129 14.297 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.708 1.963 16.149 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.157 1.147 16.198 1.00 0.00 H new ATOM 598 N ILE A 40 2.208 -0.738 12.884 1.00 0.00 N ATOM 599 CA ILE A 40 1.122 -1.553 12.369 1.00 0.00 C ATOM 600 C ILE A 40 1.602 -2.999 12.219 1.00 0.00 C ATOM 601 O ILE A 40 2.445 -3.292 11.373 1.00 0.00 O ATOM 602 CB ILE A 40 0.566 -0.953 11.076 1.00 0.00 C ATOM 603 CG1 ILE A 40 0.144 0.502 11.285 1.00 0.00 C ATOM 604 CG2 ILE A 40 -0.576 -1.807 10.521 1.00 0.00 C ATOM 605 CD1 ILE A 40 0.189 1.280 9.967 1.00 0.00 C ATOM 0 H ILE A 40 3.020 -0.672 12.270 1.00 0.00 H new ATOM 0 HA ILE A 40 0.289 -1.564 13.072 1.00 0.00 H new ATOM 0 HB ILE A 40 1.360 -0.954 10.330 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.864 0.536 11.698 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.803 0.975 12.013 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.953 -1.358 9.602 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.210 -2.812 10.310 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.380 -1.861 11.255 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.116 2.312 10.143 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.204 1.264 9.569 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.489 0.819 9.249 1.00 0.00 H new ATOM 617 N ASP A 41 1.044 -3.864 13.054 1.00 0.00 N ATOM 618 CA ASP A 41 1.404 -5.271 13.025 1.00 0.00 C ATOM 619 C ASP A 41 0.906 -5.894 11.720 1.00 0.00 C ATOM 620 O ASP A 41 -0.232 -6.354 11.643 1.00 0.00 O ATOM 621 CB ASP A 41 0.759 -6.028 14.187 1.00 0.00 C ATOM 622 CG ASP A 41 1.683 -6.291 15.380 1.00 0.00 C ATOM 623 OD1 ASP A 41 2.800 -6.805 15.220 1.00 0.00 O ATOM 624 OD2 ASP A 41 1.206 -5.941 16.526 1.00 0.00 O ATOM 0 H ASP A 41 0.345 -3.617 13.755 1.00 0.00 H new ATOM 0 HA ASP A 41 2.489 -5.343 13.105 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.106 -5.462 14.534 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.387 -6.983 13.817 1.00 0.00 H new ATOM 630 N GLY A 42 1.782 -5.888 10.726 1.00 0.00 N ATOM 631 CA GLY A 42 1.445 -6.447 9.428 1.00 0.00 C ATOM 632 C GLY A 42 2.596 -6.264 8.437 1.00 0.00 C ATOM 633 O GLY A 42 2.827 -7.119 7.584 1.00 0.00 O ATOM 0 H GLY A 42 2.725 -5.505 10.794 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.216 -7.507 9.533 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.548 -5.964 9.042 1.00 0.00 H new ATOM 637 N PHE A 43 3.286 -5.141 8.581 1.00 0.00 N ATOM 638 CA PHE A 43 4.407 -4.835 7.709 1.00 0.00 C ATOM 639 C PHE A 43 4.962 -6.106 7.063 1.00 0.00 C ATOM 640 O PHE A 43 5.207 -7.098 7.747 1.00 0.00 O ATOM 641 CB PHE A 43 5.493 -4.204 8.582 1.00 0.00 C ATOM 642 CG PHE A 43 6.784 -3.877 7.829 1.00 0.00 C ATOM 643 CD1 PHE A 43 6.929 -2.668 7.222 1.00 0.00 C ATOM 644 CD2 PHE A 43 7.787 -4.793 7.766 1.00 0.00 C ATOM 645 CE1 PHE A 43 8.127 -2.364 6.523 1.00 0.00 C ATOM 646 CE2 PHE A 43 8.985 -4.489 7.066 1.00 0.00 C ATOM 647 CZ PHE A 43 9.129 -3.280 6.461 1.00 0.00 C ATOM 0 H PHE A 43 3.090 -4.433 9.288 1.00 0.00 H new ATOM 0 HA PHE A 43 4.086 -4.165 6.911 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.102 -3.289 9.026 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.725 -4.883 9.403 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.133 -1.940 7.272 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.673 -5.752 8.249 1.00 0.00 H new ATOM 0 HE1 PHE A 43 8.242 -1.405 6.041 1.00 0.00 H new ATOM 0 HE2 PHE A 43 9.781 -5.217 7.014 1.00 0.00 H new ATOM 0 HZ PHE A 43 10.041 -3.047 5.931 1.00 0.00 H new ATOM 657 N GLY A 44 5.144 -6.034 5.752 1.00 0.00 N ATOM 658 CA GLY A 44 5.666 -7.166 5.006 1.00 0.00 C ATOM 659 C GLY A 44 6.792 -7.859 5.776 1.00 0.00 C ATOM 660 O GLY A 44 7.338 -7.297 6.724 1.00 0.00 O ATOM 0 H GLY A 44 4.939 -5.209 5.188 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.864 -7.877 4.809 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.037 -6.828 4.038 1.00 0.00 H new ATOM 664 N ALA A 45 7.105 -9.071 5.342 1.00 0.00 N ATOM 665 CA ALA A 45 8.155 -9.846 5.978 1.00 0.00 C ATOM 666 C ALA A 45 9.320 -10.019 5.000 1.00 0.00 C ATOM 667 O ALA A 45 10.508 -9.682 5.236 1.00 0.00 O ATOM 668 CB ALA A 45 7.587 -11.185 6.451 1.00 0.00 C ATOM 0 H ALA A 45 6.649 -9.535 4.557 1.00 0.00 H new ATOM 0 HA ALA A 45 8.537 -9.326 6.856 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.376 -11.767 6.928 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.784 -11.007 7.166 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.196 -11.737 5.596 1.00 0.00 H new ATOM 674 N CYS A 46 8.998 -10.569 3.839 1.00 0.00 N ATOM 675 CA CYS A 46 9.948 -10.825 2.770 1.00 0.00 C ATOM 676 C CYS A 46 10.484 -9.562 2.124 1.00 0.00 C ATOM 677 O CYS A 46 11.290 -9.690 1.204 1.00 0.00 O ATOM 678 CB CYS A 46 9.390 -11.776 1.720 1.00 0.00 C ATOM 679 SG CYS A 46 8.212 -11.120 0.517 1.00 0.00 S ATOM 0 H CYS A 46 8.046 -10.856 3.610 1.00 0.00 H new ATOM 0 HA CYS A 46 10.795 -11.313 3.252 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.232 -12.194 1.168 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.908 -12.603 2.242 1.00 0.00 H new ATOM 684 N GLU A 47 10.039 -8.400 2.576 1.00 0.00 N ATOM 685 CA GLU A 47 10.491 -7.148 1.994 1.00 0.00 C ATOM 686 C GLU A 47 9.604 -6.763 0.807 1.00 0.00 C ATOM 687 O GLU A 47 9.607 -5.613 0.372 1.00 0.00 O ATOM 688 CB GLU A 47 11.960 -7.236 1.574 1.00 0.00 C ATOM 689 CG GLU A 47 12.615 -5.854 1.579 1.00 0.00 C ATOM 690 CD GLU A 47 14.049 -5.930 2.110 1.00 0.00 C ATOM 691 OE1 GLU A 47 14.621 -7.027 2.197 1.00 0.00 O ATOM 692 OE2 GLU A 47 14.569 -4.796 2.438 1.00 0.00 O ATOM 0 H GLU A 47 9.370 -8.299 3.339 1.00 0.00 H new ATOM 0 HA GLU A 47 10.410 -6.369 2.752 1.00 0.00 H new ATOM 0 HB2 GLU A 47 12.497 -7.899 2.252 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.032 -7.673 0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.618 -5.445 0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.030 -5.172 2.197 1.00 0.00 H new ATOM 700 N GLY A 48 8.867 -7.750 0.317 1.00 0.00 N ATOM 701 CA GLY A 48 7.977 -7.530 -0.810 1.00 0.00 C ATOM 702 C GLY A 48 8.527 -8.185 -2.079 1.00 0.00 C ATOM 703 O GLY A 48 8.226 -7.747 -3.188 1.00 0.00 O ATOM 0 H GLY A 48 8.868 -8.703 0.680 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.991 -7.937 -0.584 1.00 0.00 H new ATOM 0 HA3 GLY A 48 7.850 -6.460 -0.974 1.00 0.00 H new ATOM 707 N THR A 49 9.323 -9.224 -1.872 1.00 0.00 N ATOM 708 CA THR A 49 9.917 -9.944 -2.985 1.00 0.00 C ATOM 709 C THR A 49 9.080 -11.177 -3.331 1.00 0.00 C ATOM 710 O THR A 49 9.548 -12.073 -4.032 1.00 0.00 O ATOM 711 CB THR A 49 11.364 -10.276 -2.615 1.00 0.00 C ATOM 712 OG1 THR A 49 11.245 -11.119 -1.473 1.00 0.00 O ATOM 713 CG2 THR A 49 12.131 -9.056 -2.100 1.00 0.00 C ATOM 0 H THR A 49 9.570 -9.584 -0.950 1.00 0.00 H new ATOM 0 HA THR A 49 9.929 -9.335 -3.889 1.00 0.00 H new ATOM 0 HB THR A 49 11.877 -10.686 -3.485 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.271 -10.573 -0.659 1.00 0.00 H new ATOM 0 HG21 THR A 49 13.152 -9.346 -1.852 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.150 -8.286 -2.871 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.638 -8.666 -1.210 1.00 0.00 H new ATOM 721 N LEU A 50 7.857 -11.184 -2.822 1.00 0.00 N ATOM 722 CA LEU A 50 6.951 -12.293 -3.068 1.00 0.00 C ATOM 723 C LEU A 50 7.484 -13.546 -2.371 1.00 0.00 C ATOM 724 O LEU A 50 8.348 -14.238 -2.908 1.00 0.00 O ATOM 725 CB LEU A 50 6.721 -12.473 -4.570 1.00 0.00 C ATOM 726 CG LEU A 50 5.787 -11.459 -5.232 1.00 0.00 C ATOM 727 CD1 LEU A 50 5.415 -11.900 -6.650 1.00 0.00 C ATOM 728 CD2 LEU A 50 4.551 -11.205 -4.368 1.00 0.00 C ATOM 0 H LEU A 50 7.472 -10.440 -2.240 1.00 0.00 H new ATOM 0 HA LEU A 50 5.969 -12.086 -2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.687 -12.430 -5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.318 -13.472 -4.739 1.00 0.00 H new ATOM 0 HG LEU A 50 6.319 -10.511 -5.318 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.750 -11.161 -7.098 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.319 -11.988 -7.253 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.911 -12.865 -6.610 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.904 -10.480 -4.862 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.008 -12.139 -4.227 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.859 -10.814 -3.398 1.00 0.00 H new ATOM 740 N ALA A 51 6.946 -13.801 -1.188 1.00 0.00 N ATOM 741 CA ALA A 51 7.357 -14.959 -0.412 1.00 0.00 C ATOM 742 C ALA A 51 6.572 -14.994 0.900 1.00 0.00 C ATOM 743 O ALA A 51 6.238 -16.068 1.398 1.00 0.00 O ATOM 744 CB ALA A 51 8.870 -14.910 -0.185 1.00 0.00 C ATOM 0 H ALA A 51 6.228 -13.225 -0.747 1.00 0.00 H new ATOM 0 HA ALA A 51 7.137 -15.880 -0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.179 -15.778 0.397 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.383 -14.917 -1.147 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.127 -14.000 0.357 1.00 0.00 H new ATOM 750 N CYS A 52 6.300 -13.807 1.422 1.00 0.00 N ATOM 751 CA CYS A 52 5.560 -13.689 2.667 1.00 0.00 C ATOM 752 C CYS A 52 4.068 -13.623 2.334 1.00 0.00 C ATOM 753 O CYS A 52 3.652 -14.026 1.250 1.00 0.00 O ATOM 754 CB CYS A 52 6.017 -12.478 3.484 1.00 0.00 C ATOM 755 SG CYS A 52 5.569 -10.931 2.613 1.00 0.00 S ATOM 0 H CYS A 52 6.579 -12.919 1.006 1.00 0.00 H new ATOM 0 HA CYS A 52 5.754 -14.560 3.293 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.553 -12.498 4.470 1.00 0.00 H new ATOM 0 HB3 CYS A 52 7.095 -12.519 3.639 1.00 0.00 H new ATOM 0 HG CYS A 52 6.350 -10.769 1.587 1.00 0.00 H new ATOM 761 N SER A 53 3.304 -13.110 3.287 1.00 0.00 N ATOM 762 CA SER A 53 1.867 -12.987 3.109 1.00 0.00 C ATOM 763 C SER A 53 1.307 -11.950 4.085 1.00 0.00 C ATOM 764 O SER A 53 0.134 -12.007 4.451 1.00 0.00 O ATOM 765 CB SER A 53 1.169 -14.334 3.308 1.00 0.00 C ATOM 766 OG SER A 53 0.656 -14.480 4.629 1.00 0.00 O ATOM 0 H SER A 53 3.653 -12.775 4.185 1.00 0.00 H new ATOM 0 HA SER A 53 1.676 -12.657 2.088 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.354 -14.429 2.590 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.872 -15.141 3.101 1.00 0.00 H new ATOM 0 HG SER A 53 -0.002 -13.775 4.804 1.00 0.00 H new ATOM 772 N THR A 54 2.171 -11.026 4.479 1.00 0.00 N ATOM 773 CA THR A 54 1.777 -9.978 5.404 1.00 0.00 C ATOM 774 C THR A 54 1.947 -8.602 4.756 1.00 0.00 C ATOM 775 O THR A 54 2.525 -7.697 5.354 1.00 0.00 O ATOM 776 CB THR A 54 2.593 -10.149 6.687 1.00 0.00 C ATOM 777 OG1 THR A 54 3.927 -10.344 6.227 1.00 0.00 O ATOM 778 CG2 THR A 54 2.259 -11.448 7.423 1.00 0.00 C ATOM 0 H THR A 54 3.143 -10.982 4.174 1.00 0.00 H new ATOM 0 HA THR A 54 0.720 -10.054 5.660 1.00 0.00 H new ATOM 0 HB THR A 54 2.414 -9.301 7.347 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.524 -10.462 6.995 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.865 -11.521 8.326 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.203 -11.452 7.693 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.470 -12.298 6.775 1.00 0.00 H new ATOM 786 N CYS A 55 1.433 -8.490 3.540 1.00 0.00 N ATOM 787 CA CYS A 55 1.519 -7.239 2.804 1.00 0.00 C ATOM 788 C CYS A 55 0.225 -7.060 2.008 1.00 0.00 C ATOM 789 O CYS A 55 0.146 -7.456 0.847 1.00 0.00 O ATOM 790 CB CYS A 55 2.755 -7.199 1.902 1.00 0.00 C ATOM 791 SG CYS A 55 3.477 -5.518 1.904 1.00 0.00 S ATOM 0 H CYS A 55 0.956 -9.244 3.046 1.00 0.00 H new ATOM 0 HA CYS A 55 1.632 -6.409 3.502 1.00 0.00 H new ATOM 0 HB2 CYS A 55 3.493 -7.921 2.251 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.483 -7.486 0.886 1.00 0.00 H new ATOM 0 HG CYS A 55 4.666 -5.556 1.381 1.00 0.00 H new ATOM 797 N HIS A 56 -0.758 -6.461 2.665 1.00 0.00 N ATOM 798 CA HIS A 56 -2.045 -6.224 2.034 1.00 0.00 C ATOM 799 C HIS A 56 -2.633 -4.908 2.544 1.00 0.00 C ATOM 800 O HIS A 56 -2.730 -4.695 3.753 1.00 0.00 O ATOM 801 CB HIS A 56 -2.983 -7.414 2.247 1.00 0.00 C ATOM 802 CG HIS A 56 -3.139 -7.822 3.693 1.00 0.00 C ATOM 803 ND1 HIS A 56 -3.036 -6.922 4.740 1.00 0.00 N ATOM 804 CD2 HIS A 56 -3.392 -9.039 4.253 1.00 0.00 C ATOM 805 CE1 HIS A 56 -3.220 -7.581 5.875 1.00 0.00 C ATOM 0 H HIS A 56 -0.689 -6.133 3.628 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.912 -6.129 0.956 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -3.964 -7.167 1.842 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -2.608 -8.265 1.678 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -2.850 -5.923 4.653 1.00 0.00 H new ATOM 814 N LEU A 57 -3.009 -4.058 1.600 1.00 0.00 N ATOM 815 CA LEU A 57 -3.585 -2.768 1.940 1.00 0.00 C ATOM 816 C LEU A 57 -4.912 -2.595 1.200 1.00 0.00 C ATOM 817 O LEU A 57 -4.999 -2.864 0.003 1.00 0.00 O ATOM 818 CB LEU A 57 -2.580 -1.646 1.670 1.00 0.00 C ATOM 819 CG LEU A 57 -1.641 -1.294 2.825 1.00 0.00 C ATOM 820 CD1 LEU A 57 -2.418 -1.122 4.132 1.00 0.00 C ATOM 821 CD2 LEU A 57 -0.522 -2.330 2.957 1.00 0.00 C ATOM 0 H LEU A 57 -2.926 -4.237 0.599 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.806 -2.719 3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.974 -1.927 0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.133 -0.749 1.391 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.170 -0.337 2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.726 -0.872 4.936 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.148 -0.320 4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.935 -2.051 4.373 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.131 -2.056 3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.956 -3.312 3.146 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.056 -2.361 2.034 1.00 0.00 H new ATOM 833 N ILE A 58 -5.913 -2.150 1.943 1.00 0.00 N ATOM 834 CA ILE A 58 -7.233 -1.938 1.373 1.00 0.00 C ATOM 835 C ILE A 58 -7.354 -0.488 0.901 1.00 0.00 C ATOM 836 O ILE A 58 -7.436 0.429 1.716 1.00 0.00 O ATOM 837 CB ILE A 58 -8.320 -2.354 2.366 1.00 0.00 C ATOM 838 CG1 ILE A 58 -7.847 -3.517 3.242 1.00 0.00 C ATOM 839 CG2 ILE A 58 -9.630 -2.676 1.644 1.00 0.00 C ATOM 840 CD1 ILE A 58 -9.032 -4.350 3.735 1.00 0.00 C ATOM 0 H ILE A 58 -5.837 -1.930 2.936 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.375 -2.572 0.497 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.517 -1.511 3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.164 -4.150 2.675 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.289 -3.131 4.095 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -10.385 -2.969 2.374 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.972 -1.795 1.101 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -9.467 -3.494 0.942 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.668 -5.169 4.355 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -9.700 -3.720 4.322 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.573 -4.755 2.880 1.00 0.00 H new ATOM 852 N PHE A 59 -7.361 -0.327 -0.415 1.00 0.00 N ATOM 853 CA PHE A 59 -7.471 0.996 -1.005 1.00 0.00 C ATOM 854 C PHE A 59 -8.929 1.457 -1.054 1.00 0.00 C ATOM 855 O PHE A 59 -9.804 0.825 -0.463 1.00 0.00 O ATOM 856 CB PHE A 59 -6.932 0.896 -2.433 1.00 0.00 C ATOM 857 CG PHE A 59 -5.430 0.615 -2.514 1.00 0.00 C ATOM 858 CD1 PHE A 59 -4.960 -0.641 -2.293 1.00 0.00 C ATOM 859 CD2 PHE A 59 -4.565 1.623 -2.806 1.00 0.00 C ATOM 860 CE1 PHE A 59 -3.566 -0.901 -2.366 1.00 0.00 C ATOM 861 CE2 PHE A 59 -3.171 1.364 -2.881 1.00 0.00 C ATOM 862 CZ PHE A 59 -2.701 0.107 -2.660 1.00 0.00 C ATOM 0 H PHE A 59 -7.292 -1.090 -1.088 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.911 1.716 -0.408 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.468 0.105 -2.958 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -7.146 1.828 -2.957 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.647 -1.442 -2.062 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.939 2.621 -2.981 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.193 -1.899 -2.188 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.484 2.165 -3.113 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.641 -0.091 -2.718 1.00 0.00 H new ATOM 872 N GLU A 60 -9.147 2.553 -1.765 1.00 0.00 N ATOM 873 CA GLU A 60 -10.485 3.105 -1.898 1.00 0.00 C ATOM 874 C GLU A 60 -11.047 2.801 -3.288 1.00 0.00 C ATOM 875 O GLU A 60 -10.295 2.515 -4.217 1.00 0.00 O ATOM 876 CB GLU A 60 -10.487 4.611 -1.623 1.00 0.00 C ATOM 877 CG GLU A 60 -10.926 4.904 -0.188 1.00 0.00 C ATOM 878 CD GLU A 60 -10.519 6.318 0.232 1.00 0.00 C ATOM 879 OE1 GLU A 60 -9.559 6.877 -0.320 1.00 0.00 O ATOM 880 OE2 GLU A 60 -11.240 6.839 1.167 1.00 0.00 O ATOM 0 H GLU A 60 -8.420 3.074 -2.255 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.128 2.633 -1.155 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.490 5.017 -1.792 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.157 5.111 -2.322 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.007 4.793 -0.105 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.478 4.177 0.489 1.00 0.00 H new ATOM 888 N GLN A 61 -12.367 2.873 -3.386 1.00 0.00 N ATOM 889 CA GLN A 61 -13.039 2.610 -4.647 1.00 0.00 C ATOM 890 C GLN A 61 -12.710 3.704 -5.663 1.00 0.00 C ATOM 891 O GLN A 61 -13.546 4.557 -5.956 1.00 0.00 O ATOM 892 CB GLN A 61 -14.551 2.485 -4.446 1.00 0.00 C ATOM 893 CG GLN A 61 -15.055 1.117 -4.912 1.00 0.00 C ATOM 894 CD GLN A 61 -16.495 1.208 -5.421 1.00 0.00 C ATOM 895 OE1 GLN A 61 -17.237 2.122 -5.101 1.00 0.00 O ATOM 896 NE2 GLN A 61 -16.847 0.212 -6.229 1.00 0.00 N ATOM 0 H GLN A 61 -12.989 3.110 -2.613 1.00 0.00 H new ATOM 0 HA GLN A 61 -12.677 1.659 -5.038 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -14.794 2.627 -3.393 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -15.061 3.273 -5.000 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -14.409 0.738 -5.704 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -15.001 0.405 -4.088 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -16.176 -0.522 -6.456 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -17.788 0.182 -6.622 1.00 0.00 H new ATOM 905 N HIS A 62 -11.489 3.644 -6.174 1.00 0.00 N ATOM 906 CA HIS A 62 -11.039 4.620 -7.152 1.00 0.00 C ATOM 907 C HIS A 62 -9.514 4.566 -7.267 1.00 0.00 C ATOM 908 O HIS A 62 -8.957 4.842 -8.328 1.00 0.00 O ATOM 909 CB HIS A 62 -11.558 6.016 -6.805 1.00 0.00 C ATOM 910 CG HIS A 62 -12.731 6.461 -7.645 1.00 0.00 C ATOM 911 ND1 HIS A 62 -13.543 7.527 -7.295 1.00 0.00 N ATOM 912 CD2 HIS A 62 -13.220 5.976 -8.822 1.00 0.00 C ATOM 913 CE1 HIS A 62 -14.476 7.666 -8.226 1.00 0.00 C ATOM 0 H HIS A 62 -10.798 2.935 -5.929 1.00 0.00 H new ATOM 0 HA HIS A 62 -11.451 4.376 -8.131 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -11.849 6.034 -5.755 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -10.746 6.734 -6.923 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -13.440 8.107 -6.462 1.00 0.00 H new ATOM 922 N ILE A 63 -8.881 4.209 -6.159 1.00 0.00 N ATOM 923 CA ILE A 63 -7.432 4.115 -6.120 1.00 0.00 C ATOM 924 C ILE A 63 -7.004 2.723 -6.589 1.00 0.00 C ATOM 925 O ILE A 63 -6.127 2.594 -7.442 1.00 0.00 O ATOM 926 CB ILE A 63 -6.907 4.486 -4.732 1.00 0.00 C ATOM 927 CG1 ILE A 63 -7.438 5.852 -4.292 1.00 0.00 C ATOM 928 CG2 ILE A 63 -5.379 4.423 -4.688 1.00 0.00 C ATOM 929 CD1 ILE A 63 -6.867 6.969 -5.167 1.00 0.00 C ATOM 0 H ILE A 63 -9.346 3.981 -5.280 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.985 4.835 -6.806 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.279 3.751 -4.018 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.526 5.859 -4.351 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.174 6.030 -3.250 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.032 4.691 -3.690 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -5.050 3.412 -4.927 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.965 5.121 -5.416 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.260 7.929 -4.833 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.780 6.974 -5.087 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.154 6.800 -6.205 1.00 0.00 H new ATOM 941 N PHE A 64 -7.640 1.716 -6.009 1.00 0.00 N ATOM 942 CA PHE A 64 -7.335 0.338 -6.356 1.00 0.00 C ATOM 943 C PHE A 64 -7.436 0.119 -7.867 1.00 0.00 C ATOM 944 O PHE A 64 -6.611 -0.582 -8.452 1.00 0.00 O ATOM 945 CB PHE A 64 -8.373 -0.539 -5.655 1.00 0.00 C ATOM 946 CG PHE A 64 -8.654 -1.863 -6.369 1.00 0.00 C ATOM 947 CD1 PHE A 64 -9.589 -1.918 -7.355 1.00 0.00 C ATOM 948 CD2 PHE A 64 -7.969 -2.984 -6.018 1.00 0.00 C ATOM 949 CE1 PHE A 64 -9.849 -3.146 -8.019 1.00 0.00 C ATOM 950 CE2 PHE A 64 -8.230 -4.212 -6.681 1.00 0.00 C ATOM 951 CZ PHE A 64 -9.165 -4.268 -7.667 1.00 0.00 C ATOM 0 H PHE A 64 -8.366 1.827 -5.301 1.00 0.00 H new ATOM 0 HA PHE A 64 -6.319 0.092 -6.047 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -8.031 -0.750 -4.642 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -9.305 0.019 -5.567 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -10.134 -1.028 -7.633 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -7.226 -2.940 -5.235 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -10.590 -3.189 -8.804 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -7.686 -5.102 -6.402 1.00 0.00 H new ATOM 0 HZ PHE A 64 -9.364 -5.203 -8.170 1.00 0.00 H new ATOM 961 N GLU A 65 -8.454 0.729 -8.455 1.00 0.00 N ATOM 962 CA GLU A 65 -8.674 0.610 -9.887 1.00 0.00 C ATOM 963 C GLU A 65 -7.616 1.405 -10.654 1.00 0.00 C ATOM 964 O GLU A 65 -7.488 1.263 -11.869 1.00 0.00 O ATOM 965 CB GLU A 65 -10.084 1.065 -10.265 1.00 0.00 C ATOM 966 CG GLU A 65 -10.255 2.568 -10.037 1.00 0.00 C ATOM 967 CD GLU A 65 -11.061 3.206 -11.170 1.00 0.00 C ATOM 968 OE1 GLU A 65 -12.252 3.501 -10.993 1.00 0.00 O ATOM 969 OE2 GLU A 65 -10.408 3.394 -12.266 1.00 0.00 O ATOM 0 H GLU A 65 -9.137 1.308 -7.966 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.582 -0.440 -10.163 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.278 0.828 -11.311 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.817 0.518 -9.673 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.759 2.740 -9.086 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -9.276 3.043 -9.970 1.00 0.00 H new ATOM 977 N LYS A 66 -6.885 2.225 -9.914 1.00 0.00 N ATOM 978 CA LYS A 66 -5.843 3.044 -10.509 1.00 0.00 C ATOM 979 C LYS A 66 -4.509 2.299 -10.434 1.00 0.00 C ATOM 980 O LYS A 66 -3.594 2.575 -11.207 1.00 0.00 O ATOM 981 CB LYS A 66 -5.811 4.428 -9.859 1.00 0.00 C ATOM 982 CG LYS A 66 -6.932 5.316 -10.402 1.00 0.00 C ATOM 983 CD LYS A 66 -6.988 6.649 -9.654 1.00 0.00 C ATOM 984 CE LYS A 66 -7.036 7.825 -10.630 1.00 0.00 C ATOM 0 H LYS A 66 -6.994 2.340 -8.906 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.053 3.218 -11.564 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.913 4.328 -8.778 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.846 4.899 -10.046 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -6.774 5.498 -11.465 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.888 4.801 -10.306 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -7.866 6.671 -9.009 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.116 6.744 -9.008 1.00 0.00 H new ATOM 998 N LEU A 67 -4.441 1.366 -9.495 1.00 0.00 N ATOM 999 CA LEU A 67 -3.235 0.578 -9.309 1.00 0.00 C ATOM 1000 C LEU A 67 -2.927 -0.188 -10.598 1.00 0.00 C ATOM 1001 O LEU A 67 -3.800 -0.357 -11.447 1.00 0.00 O ATOM 1002 CB LEU A 67 -3.366 -0.320 -8.076 1.00 0.00 C ATOM 1003 CG LEU A 67 -3.462 0.400 -6.730 1.00 0.00 C ATOM 1004 CD1 LEU A 67 -3.802 -0.582 -5.606 1.00 0.00 C ATOM 1005 CD2 LEU A 67 -2.183 1.187 -6.436 1.00 0.00 C ATOM 0 H LEU A 67 -5.202 1.138 -8.855 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.382 1.228 -9.112 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.253 -0.942 -8.197 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.507 -0.991 -8.047 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.278 1.121 -6.786 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.864 -0.045 -4.660 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.759 -1.059 -5.816 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.025 -1.343 -5.540 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.278 1.689 -5.473 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.334 0.504 -6.407 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.025 1.929 -7.218 1.00 0.00 H new ATOM 1017 N GLU A 68 -1.683 -0.631 -10.702 1.00 0.00 N ATOM 1018 CA GLU A 68 -1.248 -1.374 -11.872 1.00 0.00 C ATOM 1019 C GLU A 68 -1.768 -2.812 -11.811 1.00 0.00 C ATOM 1020 O GLU A 68 -2.119 -3.303 -10.739 1.00 0.00 O ATOM 1021 CB GLU A 68 0.275 -1.348 -12.004 1.00 0.00 C ATOM 1022 CG GLU A 68 0.777 0.070 -12.284 1.00 0.00 C ATOM 1023 CD GLU A 68 0.721 0.386 -13.780 1.00 0.00 C ATOM 1024 OE1 GLU A 68 -0.197 -0.072 -14.477 1.00 0.00 O ATOM 1025 OE2 GLU A 68 1.675 1.137 -14.215 1.00 0.00 O ATOM 0 H GLU A 68 -0.962 -0.489 -9.995 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.664 -0.894 -12.758 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.729 -1.724 -11.087 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.585 -2.013 -12.810 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.171 0.790 -11.734 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.801 0.175 -11.925 1.00 0.00 H new ATOM 1033 N ALA A 69 -1.801 -3.445 -12.974 1.00 0.00 N ATOM 1034 CA ALA A 69 -2.273 -4.817 -13.066 1.00 0.00 C ATOM 1035 C ALA A 69 -1.260 -5.746 -12.396 1.00 0.00 C ATOM 1036 O ALA A 69 -0.060 -5.472 -12.406 1.00 0.00 O ATOM 1037 CB ALA A 69 -2.513 -5.176 -14.533 1.00 0.00 C ATOM 0 H ALA A 69 -1.509 -3.034 -13.861 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.222 -4.933 -12.543 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.867 -6.205 -14.603 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.262 -4.505 -14.954 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.581 -5.074 -15.090 1.00 0.00 H new ATOM 1043 N ILE A 70 -1.779 -6.825 -11.830 1.00 0.00 N ATOM 1044 CA ILE A 70 -0.933 -7.797 -11.157 1.00 0.00 C ATOM 1045 C ILE A 70 -0.859 -9.072 -11.999 1.00 0.00 C ATOM 1046 O ILE A 70 -1.779 -9.374 -12.758 1.00 0.00 O ATOM 1047 CB ILE A 70 -1.423 -8.032 -9.726 1.00 0.00 C ATOM 1048 CG1 ILE A 70 -0.252 -8.337 -8.789 1.00 0.00 C ATOM 1049 CG2 ILE A 70 -2.490 -9.128 -9.685 1.00 0.00 C ATOM 1050 CD1 ILE A 70 0.054 -7.141 -7.886 1.00 0.00 C ATOM 0 H ILE A 70 -2.774 -7.048 -11.823 1.00 0.00 H new ATOM 0 HA ILE A 70 0.085 -7.417 -11.063 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.890 -7.114 -9.370 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.488 -9.208 -8.177 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.631 -8.590 -9.376 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.821 -9.275 -8.657 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.339 -8.832 -10.301 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.071 -10.058 -10.068 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.890 -7.385 -7.230 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.314 -6.279 -8.500 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.823 -6.906 -7.283 1.00 0.00 H new ATOM 1062 N THR A 71 0.245 -9.787 -11.836 1.00 0.00 N ATOM 1063 CA THR A 71 0.451 -11.023 -12.572 1.00 0.00 C ATOM 1064 C THR A 71 -0.248 -12.186 -11.867 1.00 0.00 C ATOM 1065 O THR A 71 -0.873 -12.000 -10.823 1.00 0.00 O ATOM 1066 CB THR A 71 1.958 -11.230 -12.736 1.00 0.00 C ATOM 1067 OG1 THR A 71 2.472 -11.107 -11.413 1.00 0.00 O ATOM 1068 CG2 THR A 71 2.626 -10.086 -13.502 1.00 0.00 C ATOM 0 H THR A 71 1.006 -9.534 -11.205 1.00 0.00 H new ATOM 0 HA THR A 71 0.005 -10.971 -13.565 1.00 0.00 H new ATOM 0 HB THR A 71 2.140 -12.171 -13.256 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.444 -11.229 -11.427 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.695 -10.282 -13.590 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.188 -10.010 -14.497 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.472 -9.150 -12.965 1.00 0.00 H new ATOM 1076 N ASP A 72 -0.120 -13.362 -12.464 1.00 0.00 N ATOM 1077 CA ASP A 72 -0.732 -14.556 -11.907 1.00 0.00 C ATOM 1078 C ASP A 72 0.016 -14.961 -10.635 1.00 0.00 C ATOM 1079 O ASP A 72 -0.603 -15.255 -9.613 1.00 0.00 O ATOM 1080 CB ASP A 72 -0.658 -15.724 -12.892 1.00 0.00 C ATOM 1081 CG ASP A 72 0.726 -15.977 -13.493 1.00 0.00 C ATOM 1082 OD1 ASP A 72 1.399 -16.963 -13.157 1.00 0.00 O ATOM 1083 OD2 ASP A 72 1.116 -15.097 -14.353 1.00 0.00 O ATOM 0 H ASP A 72 0.399 -13.513 -13.329 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.777 -14.331 -11.693 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.988 -16.630 -12.383 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.362 -15.540 -13.704 1.00 0.00 H new ATOM 1089 N GLU A 73 1.337 -14.965 -10.740 1.00 0.00 N ATOM 1090 CA GLU A 73 2.176 -15.329 -9.612 1.00 0.00 C ATOM 1091 C GLU A 73 1.797 -14.504 -8.380 1.00 0.00 C ATOM 1092 O GLU A 73 1.442 -15.059 -7.341 1.00 0.00 O ATOM 1093 CB GLU A 73 3.658 -15.157 -9.951 1.00 0.00 C ATOM 1094 CG GLU A 73 4.503 -15.051 -8.681 1.00 0.00 C ATOM 1095 CD GLU A 73 5.996 -15.038 -9.015 1.00 0.00 C ATOM 1096 OE1 GLU A 73 6.655 -16.086 -8.950 1.00 0.00 O ATOM 1097 OE2 GLU A 73 6.470 -13.887 -9.353 1.00 0.00 O ATOM 0 H GLU A 73 1.847 -14.722 -11.589 1.00 0.00 H new ATOM 0 HA GLU A 73 2.009 -16.382 -9.386 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.998 -16.003 -10.549 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.794 -14.262 -10.558 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.240 -14.142 -8.140 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.282 -15.890 -8.022 1.00 0.00 H new ATOM 1105 N GLU A 74 1.884 -13.191 -8.537 1.00 0.00 N ATOM 1106 CA GLU A 74 1.554 -12.284 -7.451 1.00 0.00 C ATOM 1107 C GLU A 74 0.106 -12.495 -7.004 1.00 0.00 C ATOM 1108 O GLU A 74 -0.183 -12.510 -5.808 1.00 0.00 O ATOM 1109 CB GLU A 74 1.797 -10.829 -7.858 1.00 0.00 C ATOM 1110 CG GLU A 74 1.740 -9.902 -6.642 1.00 0.00 C ATOM 1111 CD GLU A 74 2.842 -8.843 -6.708 1.00 0.00 C ATOM 1112 OE1 GLU A 74 3.473 -8.669 -7.762 1.00 0.00 O ATOM 1113 OE2 GLU A 74 3.035 -8.187 -5.614 1.00 0.00 O ATOM 0 H GLU A 74 2.178 -12.734 -9.400 1.00 0.00 H new ATOM 0 HA GLU A 74 2.209 -12.504 -6.608 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.770 -10.741 -8.342 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.049 -10.522 -8.589 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.766 -9.416 -6.596 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.847 -10.487 -5.729 1.00 0.00 H new ATOM 1121 N ASN A 75 -0.766 -12.650 -7.990 1.00 0.00 N ATOM 1122 CA ASN A 75 -2.177 -12.859 -7.713 1.00 0.00 C ATOM 1123 C ASN A 75 -2.327 -13.924 -6.625 1.00 0.00 C ATOM 1124 O ASN A 75 -3.062 -13.730 -5.657 1.00 0.00 O ATOM 1125 CB ASN A 75 -2.916 -13.350 -8.959 1.00 0.00 C ATOM 1126 CG ASN A 75 -4.428 -13.373 -8.728 1.00 0.00 C ATOM 1127 OD1 ASN A 75 -4.927 -13.946 -7.774 1.00 0.00 O ATOM 1128 ND2 ASN A 75 -5.127 -12.718 -9.651 1.00 0.00 N ATOM 0 H ASN A 75 -0.523 -12.635 -8.980 1.00 0.00 H new ATOM 0 HA ASN A 75 -2.602 -11.908 -7.393 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -2.684 -12.701 -9.803 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.570 -14.350 -9.221 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.144 -12.674 -9.585 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -4.646 -12.260 -10.425 1.00 0.00 H new ATOM 1135 N ASP A 76 -1.620 -15.028 -6.820 1.00 0.00 N ATOM 1136 CA ASP A 76 -1.664 -16.124 -5.866 1.00 0.00 C ATOM 1137 C ASP A 76 -1.296 -15.601 -4.477 1.00 0.00 C ATOM 1138 O ASP A 76 -2.077 -15.728 -3.535 1.00 0.00 O ATOM 1139 CB ASP A 76 -0.664 -17.220 -6.240 1.00 0.00 C ATOM 1140 CG ASP A 76 -0.240 -18.128 -5.085 1.00 0.00 C ATOM 1141 OD1 ASP A 76 -1.029 -18.410 -4.170 1.00 0.00 O ATOM 1142 OD2 ASP A 76 0.974 -18.561 -5.149 1.00 0.00 O ATOM 0 H ASP A 76 -1.013 -15.187 -7.625 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.672 -16.538 -5.874 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.100 -17.836 -7.026 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.226 -16.751 -6.660 1.00 0.00 H new ATOM 1148 N MET A 77 -0.106 -15.025 -4.392 1.00 0.00 N ATOM 1149 CA MET A 77 0.375 -14.482 -3.133 1.00 0.00 C ATOM 1150 C MET A 77 -0.618 -13.472 -2.557 1.00 0.00 C ATOM 1151 O MET A 77 -0.788 -13.388 -1.341 1.00 0.00 O ATOM 1152 CB MET A 77 1.727 -13.801 -3.354 1.00 0.00 C ATOM 1153 CG MET A 77 2.468 -13.612 -2.029 1.00 0.00 C ATOM 1154 SD MET A 77 2.889 -15.201 -1.333 1.00 0.00 S ATOM 1155 CE MET A 77 4.399 -15.539 -2.223 1.00 0.00 C ATOM 0 H MET A 77 0.540 -14.922 -5.175 1.00 0.00 H new ATOM 0 HA MET A 77 0.483 -15.302 -2.423 1.00 0.00 H new ATOM 0 HB2 MET A 77 2.334 -14.401 -4.032 1.00 0.00 H new ATOM 0 HB3 MET A 77 1.577 -12.833 -3.832 1.00 0.00 H new ATOM 0 HG2 MET A 77 3.372 -13.025 -2.189 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.845 -13.053 -1.331 1.00 0.00 H new ATOM 0 HE1 MET A 77 5.079 -16.104 -1.585 1.00 0.00 H new ATOM 0 HE2 MET A 77 4.172 -16.121 -3.116 1.00 0.00 H new ATOM 0 HE3 MET A 77 4.869 -14.599 -2.512 1.00 0.00 H new ATOM 1165 N LEU A 78 -1.248 -12.730 -3.456 1.00 0.00 N ATOM 1166 CA LEU A 78 -2.220 -11.728 -3.051 1.00 0.00 C ATOM 1167 C LEU A 78 -3.437 -12.423 -2.438 1.00 0.00 C ATOM 1168 O LEU A 78 -4.007 -11.939 -1.462 1.00 0.00 O ATOM 1169 CB LEU A 78 -2.563 -10.809 -4.225 1.00 0.00 C ATOM 1170 CG LEU A 78 -4.029 -10.390 -4.343 1.00 0.00 C ATOM 1171 CD1 LEU A 78 -4.149 -8.935 -4.799 1.00 0.00 C ATOM 1172 CD2 LEU A 78 -4.801 -11.343 -5.259 1.00 0.00 C ATOM 0 H LEU A 78 -1.104 -12.802 -4.463 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.801 -11.080 -2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.954 -9.909 -4.146 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.273 -11.309 -5.149 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.483 -10.456 -3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.202 -8.663 -4.875 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.657 -8.285 -4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.673 -8.818 -5.773 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.841 -11.022 -5.325 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.354 -11.334 -6.253 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.759 -12.353 -4.852 1.00 0.00 H new ATOM 1184 N ASP A 79 -3.801 -13.548 -3.037 1.00 0.00 N ATOM 1185 CA ASP A 79 -4.940 -14.314 -2.562 1.00 0.00 C ATOM 1186 C ASP A 79 -4.802 -14.547 -1.056 1.00 0.00 C ATOM 1187 O ASP A 79 -5.762 -14.377 -0.307 1.00 0.00 O ATOM 1188 CB ASP A 79 -5.009 -15.681 -3.246 1.00 0.00 C ATOM 1189 CG ASP A 79 -4.677 -16.873 -2.345 1.00 0.00 C ATOM 1190 OD1 ASP A 79 -5.333 -17.097 -1.317 1.00 0.00 O ATOM 1191 OD2 ASP A 79 -3.688 -17.598 -2.742 1.00 0.00 O ATOM 0 H ASP A 79 -3.327 -13.947 -3.847 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.844 -13.749 -2.791 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -6.012 -15.818 -3.650 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.322 -15.682 -4.092 1.00 0.00 H new ATOM 1197 N LEU A 80 -3.597 -14.931 -0.657 1.00 0.00 N ATOM 1198 CA LEU A 80 -3.320 -15.188 0.746 1.00 0.00 C ATOM 1199 C LEU A 80 -3.880 -14.041 1.590 1.00 0.00 C ATOM 1200 O LEU A 80 -4.169 -14.219 2.772 1.00 0.00 O ATOM 1201 CB LEU A 80 -1.827 -15.437 0.960 1.00 0.00 C ATOM 1202 CG LEU A 80 -1.445 -16.833 1.459 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -2.133 -17.147 2.789 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -1.738 -17.893 0.397 1.00 0.00 C ATOM 0 H LEU A 80 -2.802 -15.070 -1.281 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.821 -16.099 1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.310 -15.255 0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.455 -14.703 1.675 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.371 -16.849 1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.845 -18.144 3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.831 -16.414 3.537 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.214 -17.107 2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.458 -18.876 0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.802 -17.886 0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.164 -17.674 -0.503 1.00 0.00 H new ATOM 1216 N ALA A 81 -4.017 -12.889 0.950 1.00 0.00 N ATOM 1217 CA ALA A 81 -4.536 -11.713 1.627 1.00 0.00 C ATOM 1218 C ALA A 81 -5.763 -12.105 2.453 1.00 0.00 C ATOM 1219 O ALA A 81 -6.488 -13.032 2.092 1.00 0.00 O ATOM 1220 CB ALA A 81 -4.851 -10.627 0.596 1.00 0.00 C ATOM 0 H ALA A 81 -3.777 -12.745 -0.031 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.793 -11.306 2.313 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.240 -9.745 1.104 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.942 -10.363 0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.596 -10.999 -0.108 1.00 0.00 H new ATOM 1226 N TYR A 82 -5.956 -11.382 3.545 1.00 0.00 N ATOM 1227 CA TYR A 82 -7.082 -11.643 4.425 1.00 0.00 C ATOM 1228 C TYR A 82 -8.325 -10.876 3.969 1.00 0.00 C ATOM 1229 O TYR A 82 -8.217 -9.769 3.442 1.00 0.00 O ATOM 1230 CB TYR A 82 -6.664 -11.137 5.807 1.00 0.00 C ATOM 1231 CG TYR A 82 -6.574 -12.233 6.871 1.00 0.00 C ATOM 1232 CD1 TYR A 82 -5.851 -13.381 6.619 1.00 0.00 C ATOM 1233 CD2 TYR A 82 -7.215 -12.073 8.083 1.00 0.00 C ATOM 1234 CE1 TYR A 82 -5.766 -14.413 7.620 1.00 0.00 C ATOM 1235 CE2 TYR A 82 -7.130 -13.105 9.084 1.00 0.00 C ATOM 1236 CZ TYR A 82 -6.410 -14.224 8.803 1.00 0.00 C ATOM 1237 OH TYR A 82 -6.329 -15.198 9.748 1.00 0.00 O ATOM 0 H TYR A 82 -5.352 -10.615 3.841 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.330 -12.705 4.425 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.695 -10.645 5.724 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -7.378 -10.382 6.137 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -5.349 -13.506 5.671 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.780 -11.174 8.281 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.204 -15.316 7.435 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.627 -12.993 10.036 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.836 -14.927 10.542 1.00 0.00 H new ATOM 1247 N GLY A 83 -9.477 -11.494 4.188 1.00 0.00 N ATOM 1248 CA GLY A 83 -10.738 -10.882 3.806 1.00 0.00 C ATOM 1249 C GLY A 83 -10.590 -10.085 2.508 1.00 0.00 C ATOM 1250 O GLY A 83 -10.999 -8.927 2.436 1.00 0.00 O ATOM 0 H GLY A 83 -9.563 -12.412 4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -11.497 -11.654 3.678 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.083 -10.224 4.604 1.00 0.00 H new ATOM 1254 N LEU A 84 -10.005 -10.738 1.514 1.00 0.00 N ATOM 1255 CA LEU A 84 -9.797 -10.104 0.223 1.00 0.00 C ATOM 1256 C LEU A 84 -11.020 -9.252 -0.125 1.00 0.00 C ATOM 1257 O LEU A 84 -12.119 -9.778 -0.294 1.00 0.00 O ATOM 1258 CB LEU A 84 -9.455 -11.151 -0.839 1.00 0.00 C ATOM 1259 CG LEU A 84 -8.068 -11.034 -1.475 1.00 0.00 C ATOM 1260 CD1 LEU A 84 -7.659 -12.348 -2.143 1.00 0.00 C ATOM 1261 CD2 LEU A 84 -8.009 -9.853 -2.447 1.00 0.00 C ATOM 0 H LEU A 84 -9.669 -11.699 1.577 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.940 -9.432 0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.544 -12.139 -0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.202 -11.094 -1.631 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.344 -10.836 -0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.670 -12.238 -2.587 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.636 -13.143 -1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.380 -12.601 -2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.013 -9.792 -2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.745 -9.996 -3.238 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.227 -8.929 -1.911 1.00 0.00 H new ATOM 1273 N THR A 85 -10.788 -7.951 -0.219 1.00 0.00 N ATOM 1274 CA THR A 85 -11.856 -7.022 -0.544 1.00 0.00 C ATOM 1275 C THR A 85 -11.979 -6.857 -2.060 1.00 0.00 C ATOM 1276 O THR A 85 -11.367 -7.605 -2.820 1.00 0.00 O ATOM 1277 CB THR A 85 -11.579 -5.708 0.190 1.00 0.00 C ATOM 1278 OG1 THR A 85 -10.588 -5.067 -0.608 1.00 0.00 O ATOM 1279 CG2 THR A 85 -10.890 -5.925 1.539 1.00 0.00 C ATOM 0 H THR A 85 -9.875 -7.518 -0.076 1.00 0.00 H new ATOM 0 HA THR A 85 -12.823 -7.400 -0.211 1.00 0.00 H new ATOM 0 HB THR A 85 -12.516 -5.173 0.344 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.684 -4.095 -0.530 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.716 -4.961 2.018 1.00 0.00 H new ATOM 0 HG22 THR A 85 -11.526 -6.539 2.178 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.937 -6.430 1.384 1.00 0.00 H new ATOM 1287 N ASP A 86 -12.773 -5.873 -2.454 1.00 0.00 N ATOM 1288 CA ASP A 86 -12.984 -5.601 -3.865 1.00 0.00 C ATOM 1289 C ASP A 86 -12.011 -4.511 -4.320 1.00 0.00 C ATOM 1290 O ASP A 86 -12.056 -4.074 -5.469 1.00 0.00 O ATOM 1291 CB ASP A 86 -14.407 -5.102 -4.124 1.00 0.00 C ATOM 1292 CG ASP A 86 -15.041 -5.602 -5.424 1.00 0.00 C ATOM 1293 OD1 ASP A 86 -14.347 -6.101 -6.322 1.00 0.00 O ATOM 1294 OD2 ASP A 86 -16.321 -5.459 -5.495 1.00 0.00 O ATOM 0 H ASP A 86 -13.278 -5.254 -1.820 1.00 0.00 H new ATOM 0 HA ASP A 86 -12.822 -6.528 -4.415 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -15.039 -5.404 -3.289 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.397 -4.012 -4.138 1.00 0.00 H new ATOM 1300 N ARG A 87 -11.154 -4.104 -3.396 1.00 0.00 N ATOM 1301 CA ARG A 87 -10.171 -3.074 -3.688 1.00 0.00 C ATOM 1302 C ARG A 87 -8.876 -3.342 -2.918 1.00 0.00 C ATOM 1303 O ARG A 87 -8.124 -2.416 -2.621 1.00 0.00 O ATOM 1304 CB ARG A 87 -10.701 -1.687 -3.316 1.00 0.00 C ATOM 1305 CG ARG A 87 -10.696 -1.488 -1.799 1.00 0.00 C ATOM 1306 CD ARG A 87 -11.817 -0.539 -1.368 1.00 0.00 C ATOM 1307 NE ARG A 87 -13.133 -1.175 -1.592 1.00 0.00 N ATOM 1308 CZ ARG A 87 -14.277 -0.780 -0.993 1.00 0.00 C ATOM 1309 NH1 ARG A 87 -14.274 0.254 -0.125 1.00 0.00 N ATOM 1310 NH2 ARG A 87 -15.398 -1.422 -1.266 1.00 0.00 N ATOM 0 H ARG A 87 -11.120 -4.469 -2.444 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.972 -3.099 -4.759 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -10.088 -0.920 -3.789 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.714 -1.566 -3.699 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -10.818 -2.450 -1.302 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -9.733 -1.086 -1.484 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -11.703 -0.283 -0.315 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -11.753 0.392 -1.932 1.00 0.00 H new ATOM 0 HE ARG A 87 -13.180 -1.962 -2.240 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -13.403 0.743 0.083 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -15.142 0.546 0.323 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -15.391 -2.204 -1.921 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -16.271 -1.136 -0.822 1.00 0.00 H new ATOM 1323 N SER A 88 -8.657 -4.614 -2.617 1.00 0.00 N ATOM 1324 CA SER A 88 -7.466 -5.015 -1.888 1.00 0.00 C ATOM 1325 C SER A 88 -6.439 -5.612 -2.851 1.00 0.00 C ATOM 1326 O SER A 88 -6.782 -6.432 -3.700 1.00 0.00 O ATOM 1327 CB SER A 88 -7.807 -6.020 -0.786 1.00 0.00 C ATOM 1328 OG SER A 88 -6.651 -6.437 -0.066 1.00 0.00 O ATOM 0 H SER A 88 -9.284 -5.380 -2.865 1.00 0.00 H new ATOM 0 HA SER A 88 -7.040 -4.130 -1.416 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.522 -5.572 -0.096 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.293 -6.890 -1.227 1.00 0.00 H new ATOM 0 HG SER A 88 -6.912 -7.077 0.629 1.00 0.00 H new ATOM 1334 N ARG A 89 -5.198 -5.176 -2.687 1.00 0.00 N ATOM 1335 CA ARG A 89 -4.118 -5.657 -3.531 1.00 0.00 C ATOM 1336 C ARG A 89 -2.768 -5.425 -2.851 1.00 0.00 C ATOM 1337 O ARG A 89 -2.592 -4.444 -2.130 1.00 0.00 O ATOM 1338 CB ARG A 89 -4.125 -4.953 -4.890 1.00 0.00 C ATOM 1339 CG ARG A 89 -3.397 -5.788 -5.945 1.00 0.00 C ATOM 1340 CD ARG A 89 -4.386 -6.398 -6.940 1.00 0.00 C ATOM 1341 NE ARG A 89 -4.620 -5.460 -8.060 1.00 0.00 N ATOM 1342 CZ ARG A 89 -5.648 -5.560 -8.928 1.00 0.00 C ATOM 1343 NH1 ARG A 89 -6.548 -6.560 -8.813 1.00 0.00 N ATOM 1344 NH2 ARG A 89 -5.761 -4.666 -9.893 1.00 0.00 N ATOM 0 H ARG A 89 -4.917 -4.495 -1.982 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.271 -6.725 -3.687 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -5.153 -4.777 -5.207 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.647 -3.977 -4.800 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -2.679 -5.163 -6.477 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.830 -6.581 -5.458 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.996 -7.342 -7.321 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.328 -6.621 -6.439 1.00 0.00 H new ATOM 0 HE ARG A 89 -3.963 -4.690 -8.184 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.454 -7.247 -8.065 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -7.322 -6.628 -9.474 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -5.077 -3.914 -9.974 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -6.532 -4.728 -10.557 1.00 0.00 H new ATOM 1357 N LEU A 90 -1.847 -6.343 -3.105 1.00 0.00 N ATOM 1358 CA LEU A 90 -0.518 -6.251 -2.525 1.00 0.00 C ATOM 1359 C LEU A 90 -0.066 -4.789 -2.528 1.00 0.00 C ATOM 1360 O LEU A 90 -0.424 -4.026 -3.423 1.00 0.00 O ATOM 1361 CB LEU A 90 0.447 -7.193 -3.246 1.00 0.00 C ATOM 1362 CG LEU A 90 1.487 -7.891 -2.366 1.00 0.00 C ATOM 1363 CD1 LEU A 90 1.788 -9.299 -2.884 1.00 0.00 C ATOM 1364 CD2 LEU A 90 2.754 -7.045 -2.238 1.00 0.00 C ATOM 0 H LEU A 90 -1.995 -7.154 -3.705 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.532 -6.580 -1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.137 -7.957 -3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.972 -6.625 -4.014 1.00 0.00 H new ATOM 0 HG LEU A 90 1.069 -7.999 -1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.530 -9.772 -2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.873 -9.891 -2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.176 -9.237 -3.901 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.476 -7.564 -1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.185 -6.883 -3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.506 -6.083 -1.789 1.00 0.00 H new ATOM 1376 N GLY A 91 0.713 -4.442 -1.514 1.00 0.00 N ATOM 1377 CA GLY A 91 1.217 -3.085 -1.388 1.00 0.00 C ATOM 1378 C GLY A 91 2.693 -3.010 -1.782 1.00 0.00 C ATOM 1379 O GLY A 91 3.155 -1.983 -2.278 1.00 0.00 O ATOM 0 H GLY A 91 1.007 -5.077 -0.772 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.634 -2.416 -2.021 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.093 -2.741 -0.361 1.00 0.00 H new ATOM 1383 N CYS A 92 3.393 -4.110 -1.547 1.00 0.00 N ATOM 1384 CA CYS A 92 4.807 -4.181 -1.872 1.00 0.00 C ATOM 1385 C CYS A 92 4.944 -4.361 -3.384 1.00 0.00 C ATOM 1386 O CYS A 92 3.952 -4.571 -4.080 1.00 0.00 O ATOM 1387 CB CYS A 92 5.509 -5.300 -1.098 1.00 0.00 C ATOM 1388 SG CYS A 92 6.573 -4.585 0.209 1.00 0.00 S ATOM 0 H CYS A 92 3.007 -4.960 -1.135 1.00 0.00 H new ATOM 0 HA CYS A 92 5.299 -3.256 -1.572 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.769 -5.965 -0.653 1.00 0.00 H new ATOM 0 HB3 CYS A 92 6.110 -5.903 -1.779 1.00 0.00 H new ATOM 0 HG CYS A 92 7.800 -4.977 0.033 1.00 0.00 H new ATOM 1394 N GLN A 93 6.182 -4.270 -3.849 1.00 0.00 N ATOM 1395 CA GLN A 93 6.462 -4.420 -5.267 1.00 0.00 C ATOM 1396 C GLN A 93 5.980 -3.188 -6.036 1.00 0.00 C ATOM 1397 O GLN A 93 6.789 -2.429 -6.567 1.00 0.00 O ATOM 1398 CB GLN A 93 5.822 -5.695 -5.820 1.00 0.00 C ATOM 1399 CG GLN A 93 6.889 -6.732 -6.178 1.00 0.00 C ATOM 1400 CD GLN A 93 6.271 -8.123 -6.338 1.00 0.00 C ATOM 1401 OE1 GLN A 93 5.397 -8.532 -5.590 1.00 0.00 O ATOM 1402 NE2 GLN A 93 6.769 -8.824 -7.352 1.00 0.00 N ATOM 0 H GLN A 93 7.002 -4.094 -3.269 1.00 0.00 H new ATOM 0 HA GLN A 93 7.541 -4.507 -5.397 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.137 -6.112 -5.082 1.00 0.00 H new ATOM 0 HB3 GLN A 93 5.231 -5.456 -6.704 1.00 0.00 H new ATOM 0 HG2 GLN A 93 7.386 -6.443 -7.104 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.652 -6.757 -5.400 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.500 -8.422 -7.940 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.420 -9.764 -7.542 1.00 0.00 H new ATOM 1411 N ILE A 94 4.665 -3.027 -6.071 1.00 0.00 N ATOM 1412 CA ILE A 94 4.067 -1.900 -6.765 1.00 0.00 C ATOM 1413 C ILE A 94 4.572 -0.597 -6.143 1.00 0.00 C ATOM 1414 O ILE A 94 4.486 -0.409 -4.930 1.00 0.00 O ATOM 1415 CB ILE A 94 2.543 -2.026 -6.776 1.00 0.00 C ATOM 1416 CG1 ILE A 94 1.998 -2.222 -5.361 1.00 0.00 C ATOM 1417 CG2 ILE A 94 2.091 -3.139 -7.724 1.00 0.00 C ATOM 1418 CD1 ILE A 94 0.582 -1.654 -5.233 1.00 0.00 C ATOM 0 H ILE A 94 3.997 -3.659 -5.630 1.00 0.00 H new ATOM 0 HA ILE A 94 4.371 -1.892 -7.812 1.00 0.00 H new ATOM 0 HB ILE A 94 2.127 -1.092 -7.154 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.991 -3.284 -5.114 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.656 -1.732 -4.643 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.003 -3.207 -7.713 1.00 0.00 H new ATOM 0 HG22 ILE A 94 2.430 -2.915 -8.736 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.517 -4.088 -7.400 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.219 -1.807 -4.217 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.596 -0.587 -5.456 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.079 -2.163 -5.935 1.00 0.00 H new ATOM 1430 N CYS A 95 5.088 0.271 -7.001 1.00 0.00 N ATOM 1431 CA CYS A 95 5.607 1.551 -6.551 1.00 0.00 C ATOM 1432 C CYS A 95 4.452 2.555 -6.526 1.00 0.00 C ATOM 1433 O CYS A 95 3.423 2.339 -7.164 1.00 0.00 O ATOM 1434 CB CYS A 95 6.763 2.033 -7.429 1.00 0.00 C ATOM 1435 SG CYS A 95 6.209 2.188 -9.165 1.00 0.00 S ATOM 0 H CYS A 95 5.158 0.113 -8.006 1.00 0.00 H new ATOM 0 HA CYS A 95 6.019 1.447 -5.547 1.00 0.00 H new ATOM 0 HB2 CYS A 95 7.128 2.995 -7.068 1.00 0.00 H new ATOM 0 HB3 CYS A 95 7.595 1.332 -7.366 1.00 0.00 H new ATOM 0 HG CYS A 95 7.198 2.600 -9.901 1.00 0.00 H new ATOM 1441 N LEU A 96 4.662 3.631 -5.782 1.00 0.00 N ATOM 1442 CA LEU A 96 3.652 4.669 -5.665 1.00 0.00 C ATOM 1443 C LEU A 96 3.422 5.307 -7.037 1.00 0.00 C ATOM 1444 O LEU A 96 4.216 5.114 -7.957 1.00 0.00 O ATOM 1445 CB LEU A 96 4.038 5.673 -4.577 1.00 0.00 C ATOM 1446 CG LEU A 96 3.969 5.159 -3.137 1.00 0.00 C ATOM 1447 CD1 LEU A 96 4.197 6.297 -2.138 1.00 0.00 C ATOM 1448 CD2 LEU A 96 2.651 4.426 -2.879 1.00 0.00 C ATOM 0 H LEU A 96 5.517 3.806 -5.254 1.00 0.00 H new ATOM 0 HA LEU A 96 2.701 4.241 -5.348 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.054 6.017 -4.771 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.386 6.542 -4.664 1.00 0.00 H new ATOM 0 HG LEU A 96 4.773 4.437 -2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.143 5.906 -1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.180 6.737 -2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.430 7.060 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.628 4.071 -1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.817 5.107 -3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.568 3.577 -3.557 1.00 0.00 H new ATOM 1460 N THR A 97 2.332 6.055 -7.131 1.00 0.00 N ATOM 1461 CA THR A 97 1.988 6.722 -8.375 1.00 0.00 C ATOM 1462 C THR A 97 1.204 8.006 -8.092 1.00 0.00 C ATOM 1463 O THR A 97 0.640 8.167 -7.010 1.00 0.00 O ATOM 1464 CB THR A 97 1.227 5.726 -9.251 1.00 0.00 C ATOM 1465 OG1 THR A 97 0.184 5.246 -8.407 1.00 0.00 O ATOM 1466 CG2 THR A 97 2.052 4.478 -9.570 1.00 0.00 C ATOM 0 H THR A 97 1.676 6.214 -6.366 1.00 0.00 H new ATOM 0 HA THR A 97 2.881 7.036 -8.916 1.00 0.00 H new ATOM 0 HB THR A 97 0.931 6.213 -10.180 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.360 4.595 -8.897 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.465 3.804 -10.194 1.00 0.00 H new ATOM 0 HG22 THR A 97 2.959 4.767 -10.101 1.00 0.00 H new ATOM 0 HG23 THR A 97 2.320 3.972 -8.642 1.00 0.00 H new ATOM 1474 N LYS A 98 1.193 8.885 -9.082 1.00 0.00 N ATOM 1475 CA LYS A 98 0.488 10.149 -8.954 1.00 0.00 C ATOM 1476 C LYS A 98 -0.978 9.877 -8.609 1.00 0.00 C ATOM 1477 O LYS A 98 -1.664 10.746 -8.074 1.00 0.00 O ATOM 1478 CB LYS A 98 0.677 10.998 -10.212 1.00 0.00 C ATOM 1479 CG LYS A 98 2.126 11.469 -10.343 1.00 0.00 C ATOM 1480 CD LYS A 98 2.207 12.787 -11.116 1.00 0.00 C ATOM 1481 CE LYS A 98 2.864 12.581 -12.483 1.00 0.00 C ATOM 0 H LYS A 98 1.661 8.747 -9.978 1.00 0.00 H new ATOM 0 HA LYS A 98 0.905 10.737 -8.136 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.399 10.418 -11.092 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.012 11.861 -10.176 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.561 11.597 -9.352 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.715 10.707 -10.854 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.206 13.198 -11.248 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.777 13.516 -10.540 1.00 0.00 H new ATOM 1495 N ALA A 99 -1.414 8.668 -8.931 1.00 0.00 N ATOM 1496 CA ALA A 99 -2.786 8.271 -8.663 1.00 0.00 C ATOM 1497 C ALA A 99 -2.941 7.967 -7.171 1.00 0.00 C ATOM 1498 O ALA A 99 -4.035 7.647 -6.710 1.00 0.00 O ATOM 1499 CB ALA A 99 -3.152 7.074 -9.543 1.00 0.00 C ATOM 0 H ALA A 99 -0.841 7.950 -9.375 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.475 9.079 -8.909 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.181 6.776 -9.342 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.052 7.350 -10.593 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -2.484 6.242 -9.322 1.00 0.00 H new ATOM 1505 N MET A 100 -1.829 8.078 -6.459 1.00 0.00 N ATOM 1506 CA MET A 100 -1.830 7.819 -5.028 1.00 0.00 C ATOM 1507 C MET A 100 -1.673 9.119 -4.236 1.00 0.00 C ATOM 1508 O MET A 100 -1.258 9.098 -3.078 1.00 0.00 O ATOM 1509 CB MET A 100 -0.681 6.868 -4.682 1.00 0.00 C ATOM 1510 CG MET A 100 -0.852 5.523 -5.389 1.00 0.00 C ATOM 1511 SD MET A 100 -2.406 4.780 -4.923 1.00 0.00 S ATOM 1512 CE MET A 100 -3.072 4.414 -6.538 1.00 0.00 C ATOM 0 H MET A 100 -0.923 8.343 -6.845 1.00 0.00 H new ATOM 0 HA MET A 100 -2.784 7.365 -4.759 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.268 7.318 -4.973 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.644 6.714 -3.604 1.00 0.00 H new ATOM 0 HG2 MET A 100 -0.817 5.664 -6.469 1.00 0.00 H new ATOM 0 HG3 MET A 100 -0.029 4.858 -5.127 1.00 0.00 H new ATOM 0 HE1 MET A 100 -3.668 3.503 -6.488 1.00 0.00 H new ATOM 0 HE2 MET A 100 -3.700 5.241 -6.869 1.00 0.00 H new ATOM 0 HE3 MET A 100 -2.255 4.274 -7.245 1.00 0.00 H new ATOM 1522 N ASP A 101 -2.014 10.218 -4.892 1.00 0.00 N ATOM 1523 CA ASP A 101 -1.917 11.524 -4.264 1.00 0.00 C ATOM 1524 C ASP A 101 -2.921 11.608 -3.112 1.00 0.00 C ATOM 1525 O ASP A 101 -4.108 11.841 -3.335 1.00 0.00 O ATOM 1526 CB ASP A 101 -2.244 12.640 -5.258 1.00 0.00 C ATOM 1527 CG ASP A 101 -3.640 12.565 -5.879 1.00 0.00 C ATOM 1528 OD1 ASP A 101 -4.444 13.500 -5.756 1.00 0.00 O ATOM 1529 OD2 ASP A 101 -3.893 11.473 -6.519 1.00 0.00 O ATOM 0 H ASP A 101 -2.358 10.231 -5.852 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.896 11.649 -3.905 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -2.139 13.599 -4.751 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -1.505 12.620 -6.059 1.00 0.00 H new ATOM 1535 N ASN A 102 -2.408 11.412 -1.906 1.00 0.00 N ATOM 1536 CA ASN A 102 -3.246 11.463 -0.720 1.00 0.00 C ATOM 1537 C ASN A 102 -4.175 10.246 -0.704 1.00 0.00 C ATOM 1538 O ASN A 102 -5.347 10.360 -0.350 1.00 0.00 O ATOM 1539 CB ASN A 102 -4.116 12.721 -0.712 1.00 0.00 C ATOM 1540 CG ASN A 102 -3.279 13.967 -1.010 1.00 0.00 C ATOM 1541 OD1 ASN A 102 -2.328 13.940 -1.773 1.00 0.00 O ATOM 1542 ND2 ASN A 102 -3.687 15.058 -0.366 1.00 0.00 N ATOM 0 H ASN A 102 -1.423 11.218 -1.725 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.593 11.471 0.153 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -4.908 12.624 -1.454 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -4.600 12.827 0.259 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -3.195 15.942 -0.497 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -4.492 15.010 0.259 1.00 0.00 H new ATOM 1549 N MET A 103 -3.616 9.109 -1.094 1.00 0.00 N ATOM 1550 CA MET A 103 -4.379 7.874 -1.129 1.00 0.00 C ATOM 1551 C MET A 103 -4.593 7.321 0.281 1.00 0.00 C ATOM 1552 O MET A 103 -3.787 7.567 1.177 1.00 0.00 O ATOM 1553 CB MET A 103 -3.635 6.839 -1.976 1.00 0.00 C ATOM 1554 CG MET A 103 -2.374 6.349 -1.261 1.00 0.00 C ATOM 1555 SD MET A 103 -2.310 4.565 -1.288 1.00 0.00 S ATOM 1556 CE MET A 103 -0.603 4.323 -1.748 1.00 0.00 C ATOM 0 H MET A 103 -2.644 9.018 -1.388 1.00 0.00 H new ATOM 0 HA MET A 103 -5.354 8.084 -1.568 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.291 5.994 -2.183 1.00 0.00 H new ATOM 0 HB3 MET A 103 -3.365 7.276 -2.937 1.00 0.00 H new ATOM 0 HG2 MET A 103 -1.488 6.760 -1.746 1.00 0.00 H new ATOM 0 HG3 MET A 103 -2.368 6.706 -0.231 1.00 0.00 H new ATOM 0 HE1 MET A 103 -0.302 3.304 -1.506 1.00 0.00 H new ATOM 0 HE2 MET A 103 -0.487 4.491 -2.819 1.00 0.00 H new ATOM 0 HE3 MET A 103 0.025 5.026 -1.201 1.00 0.00 H new ATOM 1566 N THR A 104 -5.684 6.585 0.434 1.00 0.00 N ATOM 1567 CA THR A 104 -6.015 5.996 1.720 1.00 0.00 C ATOM 1568 C THR A 104 -5.989 4.468 1.629 1.00 0.00 C ATOM 1569 O THR A 104 -6.455 3.894 0.647 1.00 0.00 O ATOM 1570 CB THR A 104 -7.368 6.556 2.163 1.00 0.00 C ATOM 1571 OG1 THR A 104 -7.088 7.910 2.504 1.00 0.00 O ATOM 1572 CG2 THR A 104 -7.858 5.935 3.473 1.00 0.00 C ATOM 0 H THR A 104 -6.350 6.383 -0.312 1.00 0.00 H new ATOM 0 HA THR A 104 -5.276 6.258 2.477 1.00 0.00 H new ATOM 0 HB THR A 104 -8.107 6.382 1.381 1.00 0.00 H new ATOM 0 HG1 THR A 104 -7.912 8.350 2.801 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.822 6.367 3.742 1.00 0.00 H new ATOM 0 HG22 THR A 104 -7.966 4.858 3.347 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.136 6.137 4.264 1.00 0.00 H new ATOM 1580 N VAL A 105 -5.441 3.855 2.667 1.00 0.00 N ATOM 1581 CA VAL A 105 -5.349 2.405 2.717 1.00 0.00 C ATOM 1582 C VAL A 105 -5.667 1.926 4.134 1.00 0.00 C ATOM 1583 O VAL A 105 -5.540 2.686 5.094 1.00 0.00 O ATOM 1584 CB VAL A 105 -3.972 1.951 2.228 1.00 0.00 C ATOM 1585 CG1 VAL A 105 -3.474 2.841 1.087 1.00 0.00 C ATOM 1586 CG2 VAL A 105 -2.964 1.921 3.379 1.00 0.00 C ATOM 0 H VAL A 105 -5.056 4.335 3.480 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.082 1.953 2.049 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.072 0.936 1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.494 2.497 0.758 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.175 2.790 0.254 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.399 3.871 1.435 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.994 1.595 3.004 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.871 2.919 3.807 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -3.308 1.228 4.146 1.00 0.00 H new ATOM 1596 N ARG A 106 -6.077 0.669 4.222 1.00 0.00 N ATOM 1597 CA ARG A 106 -6.415 0.080 5.506 1.00 0.00 C ATOM 1598 C ARG A 106 -5.586 -1.183 5.746 1.00 0.00 C ATOM 1599 O ARG A 106 -5.194 -1.862 4.798 1.00 0.00 O ATOM 1600 CB ARG A 106 -7.902 -0.273 5.576 1.00 0.00 C ATOM 1601 CG ARG A 106 -8.297 -0.708 6.989 1.00 0.00 C ATOM 1602 CD ARG A 106 -9.787 -1.043 7.063 1.00 0.00 C ATOM 1603 NE ARG A 106 -10.256 -0.963 8.464 1.00 0.00 N ATOM 1604 CZ ARG A 106 -11.395 -1.530 8.915 1.00 0.00 C ATOM 1605 NH1 ARG A 106 -12.193 -2.225 8.077 1.00 0.00 N ATOM 1606 NH2 ARG A 106 -11.716 -1.396 10.188 1.00 0.00 N ATOM 0 H ARG A 106 -6.183 0.042 3.424 1.00 0.00 H new ATOM 0 HA ARG A 106 -6.192 0.817 6.277 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -8.498 0.589 5.277 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -8.123 -1.074 4.870 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -7.710 -1.578 7.283 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -8.064 0.088 7.697 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -10.355 -0.351 6.441 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -9.963 -2.044 6.669 1.00 0.00 H new ATOM 0 HE ARG A 106 -9.682 -0.447 9.131 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -11.937 -2.325 7.095 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -13.052 -2.650 8.426 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -11.107 -0.870 10.815 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -12.573 -1.818 10.545 1.00 0.00 H new ATOM 1619 N VAL A 107 -5.343 -1.461 7.018 1.00 0.00 N ATOM 1620 CA VAL A 107 -4.568 -2.630 7.395 1.00 0.00 C ATOM 1621 C VAL A 107 -5.504 -3.694 7.971 1.00 0.00 C ATOM 1622 O VAL A 107 -5.950 -3.582 9.112 1.00 0.00 O ATOM 1623 CB VAL A 107 -3.451 -2.230 8.362 1.00 0.00 C ATOM 1624 CG1 VAL A 107 -2.882 -3.455 9.079 1.00 0.00 C ATOM 1625 CG2 VAL A 107 -2.349 -1.457 7.636 1.00 0.00 C ATOM 0 H VAL A 107 -5.670 -0.896 7.802 1.00 0.00 H new ATOM 0 HA VAL A 107 -4.082 -3.063 6.520 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.880 -1.571 9.117 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.090 -3.143 9.760 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.674 -3.946 9.644 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.476 -4.150 8.345 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.568 -1.185 8.346 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.924 -2.081 6.850 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.769 -0.553 7.194 1.00 0.00 H new ATOM 1635 N PRO A 108 -5.783 -4.729 7.134 1.00 0.00 N ATOM 1636 CA PRO A 108 -6.659 -5.813 7.548 1.00 0.00 C ATOM 1637 C PRO A 108 -5.947 -6.749 8.527 1.00 0.00 C ATOM 1638 O PRO A 108 -5.264 -6.293 9.442 1.00 0.00 O ATOM 1639 CB PRO A 108 -7.069 -6.502 6.258 1.00 0.00 C ATOM 1640 CG PRO A 108 -6.050 -6.076 5.215 1.00 0.00 C ATOM 1641 CD PRO A 108 -5.274 -4.895 5.776 1.00 0.00 C ATOM 0 HA PRO A 108 -7.536 -5.462 8.091 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -7.075 -7.585 6.379 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -8.076 -6.209 5.962 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.375 -6.900 4.982 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.548 -5.799 4.286 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -4.202 -5.090 5.776 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -5.435 -3.997 5.180 1.00 0.00 H new TER 1649 PRO A 108 HETATM 1650 FE1 FES A 146 6.299 -10.442 1.328 1.00 0.00 FE HETATM 1651 FE2 FES A 146 4.689 -8.459 0.032 1.00 0.00 FE HETATM 1652 S1 FES A 146 4.959 -10.514 -0.633 1.00 0.00 S HETATM 1653 S2 FES A 146 6.154 -8.156 1.602 1.00 0.00 S