USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 538 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 74 THR OG1 : rot 78:sc= 0.791 USER MOD Set 1.2: A 77 THR OG1 : rot 138:sc= 1.11 USER MOD Set 2.1: A 19 HIS : no HE2:sc= -2.5! C(o=-2.5!,f=-4.2!) USER MOD Set 2.2: A 65 HIS : no HD1:sc= -0.003 X(o=-2.5,f=-2.6) USER MOD Set 3.1: A 52 HIS : no HE2:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 4.1: A 49 HIS : no HE2:sc= 0.836 K(o=0.84,f=-6!) USER MOD Set 4.2: A 62 HIS : no HD1:sc= 0 X(o=0.84,f=0.83) USER MOD Set 5.1: A 9 HIS : no HE2:sc= 0.291 K(o=0.29,f=-1) USER MOD Set 5.2: A 39 HIS : no HD1:sc= 0 X(o=0.29,f=0.26) USER MOD Set 6.1: A 37 SER OG : rot 180:sc= 0.179 USER MOD Set 6.2: A 38 CYS SG : rot 180:sc= 0.06 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0908 USER MOD Single : A 12 MET CE :methyl -168:sc= -1.11 (180deg=-1.57!) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc=-0.00734 X(o=-0.0073,f=-0.39) USER MOD Single : A 18 CYS SG : rot -39:sc= -1.28! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 150:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -1.15 K(o=-1.2,f=-2!) USER MOD Single : A 35 CYS SG : rot 180:sc= 0.00919 USER MOD Single : A 36 GLN : amide:sc= -0.233 K(o=-0.23,f=0.77) USER MOD Single : A 41 SER OG : rot 170:sc= 0.299 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.346 K(o=-0.35,f=-3.2!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl -117:sc= -0.0331 (180deg=-0.665) USER MOD Single : A 58 CYS SG : rot -170:sc= 0.027 USER MOD Single : A 61 CYS SG : rot 30:sc= -4.17! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 CYS SG : rot -170:sc= 0.0213 USER MOD Single : A 78 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N GLU A 3 12.947 -8.474 3.436 1.00 0.00 N ATOM 25 CA GLU A 3 13.105 -7.031 3.372 1.00 0.00 C ATOM 26 C GLU A 3 11.737 -6.350 3.306 1.00 0.00 C ATOM 27 O GLU A 3 10.714 -7.016 3.162 1.00 0.00 O ATOM 28 CB GLU A 3 13.977 -6.628 2.181 1.00 0.00 C ATOM 29 CG GLU A 3 13.292 -6.974 0.858 1.00 0.00 C ATOM 30 CD GLU A 3 14.316 -7.417 -0.190 1.00 0.00 C ATOM 31 OE1 GLU A 3 15.505 -7.088 -0.072 1.00 0.00 O ATOM 32 OE2 GLU A 3 13.837 -8.129 -1.153 1.00 0.00 O ATOM 0 HA GLU A 3 13.610 -6.699 4.279 1.00 0.00 H new ATOM 0 HB2 GLU A 3 14.180 -5.558 2.220 1.00 0.00 H new ATOM 0 HB3 GLU A 3 14.939 -7.138 2.241 1.00 0.00 H new ATOM 0 HG2 GLU A 3 12.563 -7.769 1.018 1.00 0.00 H new ATOM 0 HG3 GLU A 3 12.743 -6.107 0.491 1.00 0.00 H new ATOM 40 N THR A 4 11.764 -5.029 3.413 1.00 0.00 N ATOM 41 CA THR A 4 10.538 -4.250 3.368 1.00 0.00 C ATOM 42 C THR A 4 10.042 -4.120 1.926 1.00 0.00 C ATOM 43 O THR A 4 10.801 -4.338 0.983 1.00 0.00 O ATOM 44 CB THR A 4 10.809 -2.903 4.041 1.00 0.00 C ATOM 45 OG1 THR A 4 12.022 -2.454 3.443 1.00 0.00 O ATOM 46 CG2 THR A 4 11.156 -3.049 5.524 1.00 0.00 C ATOM 0 H THR A 4 12.615 -4.479 3.531 1.00 0.00 H new ATOM 0 HA THR A 4 9.734 -4.746 3.912 1.00 0.00 H new ATOM 0 HB THR A 4 9.934 -2.261 3.934 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.271 -1.585 3.821 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.339 -2.064 5.954 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.326 -3.524 6.047 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.051 -3.663 5.630 1.00 0.00 H new ATOM 54 N LEU A 5 8.772 -3.765 1.801 1.00 0.00 N ATOM 55 CA LEU A 5 8.166 -3.603 0.490 1.00 0.00 C ATOM 56 C LEU A 5 8.864 -2.462 -0.252 1.00 0.00 C ATOM 57 O LEU A 5 9.179 -2.587 -1.435 1.00 0.00 O ATOM 58 CB LEU A 5 6.653 -3.418 0.619 1.00 0.00 C ATOM 59 CG LEU A 5 5.812 -3.934 -0.551 1.00 0.00 C ATOM 60 CD1 LEU A 5 5.121 -5.251 -0.190 1.00 0.00 C ATOM 61 CD2 LEU A 5 4.814 -2.874 -1.020 1.00 0.00 C ATOM 0 H LEU A 5 8.146 -3.585 2.586 1.00 0.00 H new ATOM 0 HA LEU A 5 8.304 -4.504 -0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.322 -3.920 1.528 1.00 0.00 H new ATOM 0 HB3 LEU A 5 6.447 -2.356 0.748 1.00 0.00 H new ATOM 0 HG LEU A 5 6.480 -4.138 -1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.530 -5.596 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.873 -6.000 0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.467 -5.096 0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.230 -3.267 -1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.146 -2.614 -0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.354 -1.984 -1.344 1.00 0.00 H new ATOM 73 N ALA A 6 9.086 -1.375 0.473 1.00 0.00 N ATOM 74 CA ALA A 6 9.741 -0.213 -0.103 1.00 0.00 C ATOM 75 C ALA A 6 11.087 -0.633 -0.697 1.00 0.00 C ATOM 76 O ALA A 6 11.555 -0.037 -1.666 1.00 0.00 O ATOM 77 CB ALA A 6 9.889 0.871 0.967 1.00 0.00 C ATOM 0 H ALA A 6 8.824 -1.275 1.454 1.00 0.00 H new ATOM 0 HA ALA A 6 9.141 0.205 -0.911 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.380 1.743 0.536 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.903 1.155 1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.489 0.488 1.793 1.00 0.00 H new ATOM 83 N GLU A 7 11.671 -1.657 -0.091 1.00 0.00 N ATOM 84 CA GLU A 7 12.954 -2.164 -0.549 1.00 0.00 C ATOM 85 C GLU A 7 12.783 -2.936 -1.858 1.00 0.00 C ATOM 86 O GLU A 7 13.363 -2.570 -2.879 1.00 0.00 O ATOM 87 CB GLU A 7 13.611 -3.037 0.522 1.00 0.00 C ATOM 88 CG GLU A 7 14.998 -3.504 0.074 1.00 0.00 C ATOM 89 CD GLU A 7 16.003 -2.351 0.111 1.00 0.00 C ATOM 90 OE1 GLU A 7 16.533 -1.956 -0.938 1.00 0.00 O ATOM 91 OE2 GLU A 7 16.226 -1.861 1.283 1.00 0.00 O ATOM 0 H GLU A 7 11.280 -2.149 0.712 1.00 0.00 H new ATOM 0 HA GLU A 7 13.613 -1.316 -0.735 1.00 0.00 H new ATOM 0 HB2 GLU A 7 13.695 -2.476 1.452 1.00 0.00 H new ATOM 0 HB3 GLU A 7 12.981 -3.902 0.728 1.00 0.00 H new ATOM 0 HG2 GLU A 7 15.341 -4.311 0.722 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.941 -3.909 -0.936 1.00 0.00 H new ATOM 99 N PHE A 8 11.985 -3.991 -1.786 1.00 0.00 N ATOM 100 CA PHE A 8 11.730 -4.819 -2.953 1.00 0.00 C ATOM 101 C PHE A 8 11.489 -3.957 -4.194 1.00 0.00 C ATOM 102 O PHE A 8 11.897 -4.321 -5.295 1.00 0.00 O ATOM 103 CB PHE A 8 10.469 -5.632 -2.658 1.00 0.00 C ATOM 104 CG PHE A 8 9.991 -6.487 -3.833 1.00 0.00 C ATOM 105 CD1 PHE A 8 10.724 -7.560 -4.236 1.00 0.00 C ATOM 106 CD2 PHE A 8 8.833 -6.175 -4.474 1.00 0.00 C ATOM 107 CE1 PHE A 8 10.281 -8.353 -5.327 1.00 0.00 C ATOM 108 CE2 PHE A 8 8.389 -6.969 -5.565 1.00 0.00 C ATOM 109 CZ PHE A 8 9.123 -8.041 -5.969 1.00 0.00 C ATOM 0 H PHE A 8 11.506 -4.292 -0.937 1.00 0.00 H new ATOM 0 HA PHE A 8 12.590 -5.460 -3.150 1.00 0.00 H new ATOM 0 HB2 PHE A 8 10.659 -6.281 -1.803 1.00 0.00 H new ATOM 0 HB3 PHE A 8 9.669 -4.950 -2.369 1.00 0.00 H new ATOM 0 HD1 PHE A 8 11.643 -7.808 -3.726 1.00 0.00 H new ATOM 0 HD2 PHE A 8 8.251 -5.324 -4.154 1.00 0.00 H new ATOM 0 HE1 PHE A 8 10.863 -9.204 -5.647 1.00 0.00 H new ATOM 0 HE2 PHE A 8 7.469 -6.722 -6.074 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.786 -8.644 -6.799 1.00 0.00 H new ATOM 119 N HIS A 9 10.827 -2.831 -3.973 1.00 0.00 N ATOM 120 CA HIS A 9 10.526 -1.914 -5.060 1.00 0.00 C ATOM 121 C HIS A 9 11.799 -1.175 -5.475 1.00 0.00 C ATOM 122 O HIS A 9 12.034 -0.954 -6.662 1.00 0.00 O ATOM 123 CB HIS A 9 9.389 -0.966 -4.672 1.00 0.00 C ATOM 124 CG HIS A 9 8.010 -1.551 -4.863 1.00 0.00 C ATOM 125 ND1 HIS A 9 7.388 -2.332 -3.905 1.00 0.00 N ATOM 126 CD2 HIS A 9 7.140 -1.459 -5.910 1.00 0.00 C ATOM 127 CE1 HIS A 9 6.198 -2.689 -4.366 1.00 0.00 C ATOM 128 NE2 HIS A 9 6.047 -2.148 -5.609 1.00 0.00 N ATOM 0 H HIS A 9 10.490 -2.533 -3.058 1.00 0.00 H new ATOM 0 HA HIS A 9 10.174 -2.474 -5.926 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.509 -0.679 -3.627 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.471 -0.055 -5.264 1.00 0.00 H new ATOM 0 HD1 HIS A 9 7.779 -2.589 -2.999 1.00 0.00 H new ATOM 0 HD2 HIS A 9 7.312 -0.917 -6.828 1.00 0.00 H new ATOM 0 HE1 HIS A 9 5.474 -3.301 -3.848 1.00 0.00 H new ATOM 136 N VAL A 10 12.588 -0.813 -4.473 1.00 0.00 N ATOM 137 CA VAL A 10 13.832 -0.103 -4.719 1.00 0.00 C ATOM 138 C VAL A 10 14.703 -0.924 -5.672 1.00 0.00 C ATOM 139 O VAL A 10 15.132 -0.426 -6.712 1.00 0.00 O ATOM 140 CB VAL A 10 14.527 0.209 -3.393 1.00 0.00 C ATOM 141 CG1 VAL A 10 16.024 0.444 -3.601 1.00 0.00 C ATOM 142 CG2 VAL A 10 13.875 1.408 -2.701 1.00 0.00 C ATOM 0 H VAL A 10 12.390 -0.998 -3.490 1.00 0.00 H new ATOM 0 HA VAL A 10 13.636 0.855 -5.201 1.00 0.00 H new ATOM 0 HB VAL A 10 14.411 -0.657 -2.742 1.00 0.00 H new ATOM 0 HG11 VAL A 10 16.494 0.664 -2.643 1.00 0.00 H new ATOM 0 HG12 VAL A 10 16.476 -0.450 -4.031 1.00 0.00 H new ATOM 0 HG13 VAL A 10 16.170 1.286 -4.278 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.388 1.609 -1.761 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.945 2.283 -3.347 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.826 1.187 -2.502 1.00 0.00 H new ATOM 152 N GLU A 11 14.939 -2.169 -5.283 1.00 0.00 N ATOM 153 CA GLU A 11 15.751 -3.063 -6.089 1.00 0.00 C ATOM 154 C GLU A 11 15.233 -3.099 -7.529 1.00 0.00 C ATOM 155 O GLU A 11 15.961 -3.477 -8.445 1.00 0.00 O ATOM 156 CB GLU A 11 15.786 -4.468 -5.484 1.00 0.00 C ATOM 157 CG GLU A 11 16.796 -5.355 -6.214 1.00 0.00 C ATOM 158 CD GLU A 11 18.218 -4.811 -6.056 1.00 0.00 C ATOM 159 OE1 GLU A 11 18.564 -4.282 -4.989 1.00 0.00 O ATOM 160 OE2 GLU A 11 18.975 -4.954 -7.090 1.00 0.00 O ATOM 0 H GLU A 11 14.582 -2.579 -4.420 1.00 0.00 H new ATOM 0 HA GLU A 11 16.772 -2.682 -6.100 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.048 -4.406 -4.428 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.794 -4.917 -5.541 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.745 -6.370 -5.820 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.539 -5.410 -7.272 1.00 0.00 H new ATOM 168 N MET A 12 13.978 -2.701 -7.682 1.00 0.00 N ATOM 169 CA MET A 12 13.354 -2.682 -8.994 1.00 0.00 C ATOM 170 C MET A 12 13.254 -1.254 -9.533 1.00 0.00 C ATOM 171 O MET A 12 12.460 -0.981 -10.433 1.00 0.00 O ATOM 172 CB MET A 12 11.954 -3.293 -8.902 1.00 0.00 C ATOM 173 CG MET A 12 11.943 -4.724 -9.443 1.00 0.00 C ATOM 174 SD MET A 12 10.269 -5.341 -9.505 1.00 0.00 S ATOM 175 CE MET A 12 9.693 -4.835 -7.893 1.00 0.00 C ATOM 0 H MET A 12 13.377 -2.389 -6.919 1.00 0.00 H new ATOM 0 HA MET A 12 13.971 -3.266 -9.678 1.00 0.00 H new ATOM 0 HB2 MET A 12 11.620 -3.290 -7.865 1.00 0.00 H new ATOM 0 HB3 MET A 12 11.249 -2.682 -9.466 1.00 0.00 H new ATOM 0 HG2 MET A 12 12.385 -4.748 -10.439 1.00 0.00 H new ATOM 0 HG3 MET A 12 12.553 -5.366 -8.808 1.00 0.00 H new ATOM 0 HE1 MET A 12 8.741 -5.321 -7.678 1.00 0.00 H new ATOM 0 HE2 MET A 12 10.426 -5.121 -7.138 1.00 0.00 H new ATOM 0 HE3 MET A 12 9.560 -3.753 -7.877 1.00 0.00 H new ATOM 185 N GLY A 13 14.070 -0.381 -8.962 1.00 0.00 N ATOM 186 CA GLY A 13 14.084 1.012 -9.374 1.00 0.00 C ATOM 187 C GLY A 13 14.986 1.845 -8.462 1.00 0.00 C ATOM 188 O GLY A 13 16.135 2.122 -8.805 1.00 0.00 O ATOM 0 H GLY A 13 14.727 -0.612 -8.217 1.00 0.00 H new ATOM 0 HA2 GLY A 13 14.434 1.087 -10.404 1.00 0.00 H new ATOM 0 HA3 GLY A 13 13.070 1.412 -9.352 1.00 0.00 H new ATOM 192 N GLY A 14 14.433 2.221 -7.318 1.00 0.00 N ATOM 193 CA GLY A 14 15.174 3.017 -6.355 1.00 0.00 C ATOM 194 C GLY A 14 14.233 3.655 -5.331 1.00 0.00 C ATOM 195 O GLY A 14 13.065 3.280 -5.237 1.00 0.00 O ATOM 0 H GLY A 14 13.480 1.989 -7.037 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.903 2.389 -5.843 1.00 0.00 H new ATOM 0 HA3 GLY A 14 15.733 3.795 -6.875 1.00 0.00 H new ATOM 199 N CYS A 15 14.776 4.610 -4.590 1.00 0.00 N ATOM 200 CA CYS A 15 13.999 5.304 -3.577 1.00 0.00 C ATOM 201 C CYS A 15 13.076 6.302 -4.279 1.00 0.00 C ATOM 202 O CYS A 15 12.136 6.815 -3.674 1.00 0.00 O ATOM 203 CB CYS A 15 14.897 5.986 -2.543 1.00 0.00 C ATOM 204 SG CYS A 15 15.884 4.842 -1.510 1.00 0.00 S ATOM 0 H CYS A 15 15.745 4.919 -4.671 1.00 0.00 H new ATOM 0 HA CYS A 15 13.398 4.585 -3.020 1.00 0.00 H new ATOM 0 HB2 CYS A 15 15.576 6.662 -3.062 1.00 0.00 H new ATOM 0 HB3 CYS A 15 14.275 6.598 -1.890 1.00 0.00 H new ATOM 0 HG CYS A 15 16.607 5.526 -0.674 1.00 0.00 H new ATOM 209 N GLU A 16 13.378 6.548 -5.545 1.00 0.00 N ATOM 210 CA GLU A 16 12.588 7.476 -6.336 1.00 0.00 C ATOM 211 C GLU A 16 11.376 6.763 -6.938 1.00 0.00 C ATOM 212 O GLU A 16 10.714 7.298 -7.827 1.00 0.00 O ATOM 213 CB GLU A 16 13.439 8.129 -7.428 1.00 0.00 C ATOM 214 CG GLU A 16 14.593 8.928 -6.819 1.00 0.00 C ATOM 215 CD GLU A 16 15.789 8.022 -6.519 1.00 0.00 C ATOM 216 OE1 GLU A 16 16.127 7.810 -5.345 1.00 0.00 O ATOM 217 OE2 GLU A 16 16.374 7.530 -7.558 1.00 0.00 O ATOM 0 H GLU A 16 14.159 6.121 -6.043 1.00 0.00 H new ATOM 0 HA GLU A 16 12.229 8.268 -5.679 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.835 7.362 -8.093 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.817 8.787 -8.034 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.895 9.719 -7.506 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.260 9.413 -5.901 1.00 0.00 H new ATOM 225 N ASN A 17 11.123 5.565 -6.431 1.00 0.00 N ATOM 226 CA ASN A 17 10.002 4.773 -6.908 1.00 0.00 C ATOM 227 C ASN A 17 8.697 5.372 -6.380 1.00 0.00 C ATOM 228 O ASN A 17 7.639 5.189 -6.979 1.00 0.00 O ATOM 229 CB ASN A 17 10.096 3.330 -6.408 1.00 0.00 C ATOM 230 CG ASN A 17 9.911 2.338 -7.558 1.00 0.00 C ATOM 231 OD1 ASN A 17 10.854 1.926 -8.214 1.00 0.00 O ATOM 232 ND2 ASN A 17 8.647 1.978 -7.765 1.00 0.00 N ATOM 0 H ASN A 17 11.675 5.124 -5.695 1.00 0.00 H new ATOM 0 HA ASN A 17 10.024 4.780 -7.998 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.065 3.168 -5.935 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.336 3.155 -5.646 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.420 1.319 -8.510 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.905 2.361 -7.179 1.00 0.00 H new ATOM 239 N CYS A 18 8.816 6.077 -5.264 1.00 0.00 N ATOM 240 CA CYS A 18 7.659 6.705 -4.649 1.00 0.00 C ATOM 241 C CYS A 18 8.119 7.995 -3.968 1.00 0.00 C ATOM 242 O CYS A 18 7.492 8.455 -3.014 1.00 0.00 O ATOM 243 CB CYS A 18 6.957 5.761 -3.670 1.00 0.00 C ATOM 244 SG CYS A 18 7.035 4.042 -4.293 1.00 0.00 S ATOM 0 H CYS A 18 9.696 6.227 -4.770 1.00 0.00 H new ATOM 0 HA CYS A 18 6.920 6.943 -5.415 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.430 5.823 -2.690 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.918 6.063 -3.542 1.00 0.00 H new ATOM 0 HG CYS A 18 6.857 4.039 -5.581 1.00 0.00 H new ATOM 249 N HIS A 19 9.209 8.543 -4.484 1.00 0.00 N ATOM 250 CA HIS A 19 9.760 9.772 -3.937 1.00 0.00 C ATOM 251 C HIS A 19 10.366 10.609 -5.065 1.00 0.00 C ATOM 252 O HIS A 19 11.133 10.098 -5.879 1.00 0.00 O ATOM 253 CB HIS A 19 10.760 9.469 -2.820 1.00 0.00 C ATOM 254 CG HIS A 19 10.159 8.754 -1.634 1.00 0.00 C ATOM 255 ND1 HIS A 19 8.934 9.101 -1.091 1.00 0.00 N ATOM 256 CD2 HIS A 19 10.626 7.708 -0.893 1.00 0.00 C ATOM 257 CE1 HIS A 19 8.686 8.294 -0.070 1.00 0.00 C ATOM 258 NE2 HIS A 19 9.735 7.432 0.052 1.00 0.00 N ATOM 0 H HIS A 19 9.726 8.159 -5.275 1.00 0.00 H new ATOM 0 HA HIS A 19 8.964 10.361 -3.482 1.00 0.00 H new ATOM 0 HB2 HIS A 19 11.569 8.861 -3.226 1.00 0.00 H new ATOM 0 HB3 HIS A 19 11.204 10.405 -2.480 1.00 0.00 H new ATOM 0 HD1 HIS A 19 8.326 9.850 -1.421 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.562 7.192 -1.049 1.00 0.00 H new ATOM 0 HE1 HIS A 19 7.806 8.315 0.556 1.00 0.00 H new ATOM 266 N ALA A 20 9.998 11.882 -5.077 1.00 0.00 N ATOM 267 CA ALA A 20 10.496 12.795 -6.091 1.00 0.00 C ATOM 268 C ALA A 20 11.738 13.513 -5.560 1.00 0.00 C ATOM 269 O ALA A 20 11.672 14.206 -4.546 1.00 0.00 O ATOM 270 CB ALA A 20 9.385 13.769 -6.491 1.00 0.00 C ATOM 0 H ALA A 20 9.361 12.302 -4.400 1.00 0.00 H new ATOM 0 HA ALA A 20 10.790 12.249 -6.988 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.758 14.454 -7.252 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.538 13.211 -6.890 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.066 14.336 -5.617 1.00 0.00 H new ATOM 276 N ASP A 21 12.840 13.324 -6.269 1.00 0.00 N ATOM 277 CA ASP A 21 14.096 13.945 -5.882 1.00 0.00 C ATOM 278 C ASP A 21 14.247 13.873 -4.361 1.00 0.00 C ATOM 279 O ASP A 21 14.696 14.830 -3.733 1.00 0.00 O ATOM 280 CB ASP A 21 14.131 15.418 -6.292 1.00 0.00 C ATOM 281 CG ASP A 21 14.276 15.669 -7.794 1.00 0.00 C ATOM 282 OD1 ASP A 21 14.769 14.810 -8.540 1.00 0.00 O ATOM 283 OD2 ASP A 21 13.851 16.817 -8.199 1.00 0.00 O ATOM 0 H ASP A 21 12.890 12.749 -7.110 1.00 0.00 H new ATOM 0 HA ASP A 21 14.905 13.413 -6.383 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.215 15.898 -5.946 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.960 15.903 -5.776 1.00 0.00 H new ATOM 289 N GLY A 22 13.863 12.729 -3.813 1.00 0.00 N ATOM 290 CA GLY A 22 13.950 12.521 -2.378 1.00 0.00 C ATOM 291 C GLY A 22 13.139 13.574 -1.620 1.00 0.00 C ATOM 292 O GLY A 22 13.671 14.269 -0.756 1.00 0.00 O ATOM 0 H GLY A 22 13.491 11.937 -4.337 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.583 11.525 -2.129 1.00 0.00 H new ATOM 0 HA3 GLY A 22 14.993 12.564 -2.063 1.00 0.00 H new ATOM 296 N GLU A 23 11.864 13.658 -1.972 1.00 0.00 N ATOM 297 CA GLU A 23 10.974 14.615 -1.336 1.00 0.00 C ATOM 298 C GLU A 23 9.611 13.974 -1.067 1.00 0.00 C ATOM 299 O GLU A 23 8.642 14.171 -1.797 1.00 0.00 O ATOM 300 CB GLU A 23 10.829 15.878 -2.187 1.00 0.00 C ATOM 301 CG GLU A 23 10.771 17.128 -1.307 1.00 0.00 C ATOM 302 CD GLU A 23 9.361 17.721 -1.288 1.00 0.00 C ATOM 303 OE1 GLU A 23 8.861 18.164 -2.333 1.00 0.00 O ATOM 304 OE2 GLU A 23 8.780 17.711 -0.137 1.00 0.00 O ATOM 0 H GLU A 23 11.426 13.079 -2.689 1.00 0.00 H new ATOM 0 HA GLU A 23 11.410 14.909 -0.381 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.669 15.954 -2.878 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.924 15.812 -2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.077 16.877 -0.292 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.477 17.871 -1.678 1.00 0.00 H new ATOM 312 N PRO A 24 9.559 13.192 0.014 1.00 0.00 N ATOM 313 CA PRO A 24 8.373 12.490 0.456 1.00 0.00 C ATOM 314 C PRO A 24 7.192 13.450 0.485 1.00 0.00 C ATOM 315 O PRO A 24 7.274 14.471 1.165 1.00 0.00 O ATOM 316 CB PRO A 24 8.711 11.995 1.860 1.00 0.00 C ATOM 317 CG PRO A 24 10.188 11.859 1.856 1.00 0.00 C ATOM 318 CD PRO A 24 10.679 12.939 0.894 1.00 0.00 C ATOM 0 HA PRO A 24 8.097 11.667 -0.203 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.379 12.701 2.621 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.225 11.043 2.074 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.601 12.002 2.855 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.493 10.866 1.524 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.972 13.842 1.430 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.552 12.603 0.335 1.00 0.00 H new ATOM 326 N SER A 25 6.135 13.114 -0.240 1.00 0.00 N ATOM 327 CA SER A 25 4.957 13.962 -0.282 1.00 0.00 C ATOM 328 C SER A 25 4.544 14.356 1.137 1.00 0.00 C ATOM 329 O SER A 25 4.949 13.715 2.106 1.00 0.00 O ATOM 330 CB SER A 25 3.799 13.261 -0.996 1.00 0.00 C ATOM 331 OG SER A 25 3.233 12.222 -0.202 1.00 0.00 O ATOM 0 H SER A 25 6.070 12.266 -0.803 1.00 0.00 H new ATOM 0 HA SER A 25 5.204 14.862 -0.845 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.028 13.992 -1.240 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.153 12.845 -1.939 1.00 0.00 H new ATOM 0 HG SER A 25 2.496 11.800 -0.692 1.00 0.00 H new ATOM 337 N LYS A 26 3.744 15.409 1.216 1.00 0.00 N ATOM 338 CA LYS A 26 3.273 15.896 2.501 1.00 0.00 C ATOM 339 C LYS A 26 1.747 15.787 2.555 1.00 0.00 C ATOM 340 O LYS A 26 1.078 16.661 3.104 1.00 0.00 O ATOM 341 CB LYS A 26 3.797 17.309 2.764 1.00 0.00 C ATOM 342 CG LYS A 26 3.163 18.317 1.803 1.00 0.00 C ATOM 343 CD LYS A 26 4.044 19.559 1.650 1.00 0.00 C ATOM 344 CE LYS A 26 3.720 20.305 0.354 1.00 0.00 C ATOM 345 NZ LYS A 26 4.250 21.685 0.405 1.00 0.00 N ATOM 0 H LYS A 26 3.410 15.939 0.411 1.00 0.00 H new ATOM 0 HA LYS A 26 3.667 15.279 3.309 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.579 17.596 3.793 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.881 17.326 2.651 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.013 17.851 0.829 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.180 18.608 2.172 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.895 20.222 2.502 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.094 19.267 1.653 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.151 19.775 -0.495 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.641 20.329 0.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.022 22.178 -0.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.819 22.193 1.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.282 21.656 0.529 1.00 0.00 H new ATOM 358 N ASP A 27 1.243 14.706 1.977 1.00 0.00 N ATOM 359 CA ASP A 27 -0.191 14.471 1.953 1.00 0.00 C ATOM 360 C ASP A 27 -0.455 12.969 1.830 1.00 0.00 C ATOM 361 O ASP A 27 -1.070 12.369 2.710 1.00 0.00 O ATOM 362 CB ASP A 27 -0.842 15.166 0.755 1.00 0.00 C ATOM 363 CG ASP A 27 -0.041 15.098 -0.546 1.00 0.00 C ATOM 364 OD1 ASP A 27 0.938 14.343 -0.655 1.00 0.00 O ATOM 365 OD2 ASP A 27 -0.463 15.872 -1.488 1.00 0.00 O ATOM 0 H ASP A 27 1.802 13.984 1.522 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.614 14.869 2.875 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.822 14.720 0.584 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.008 16.213 1.008 1.00 0.00 H new ATOM 371 N GLY A 28 0.024 12.405 0.730 1.00 0.00 N ATOM 372 CA GLY A 28 -0.153 10.984 0.481 1.00 0.00 C ATOM 373 C GLY A 28 -0.773 10.743 -0.897 1.00 0.00 C ATOM 374 O GLY A 28 -0.521 9.714 -1.523 1.00 0.00 O ATOM 0 H GLY A 28 0.534 12.906 0.002 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.810 10.477 0.544 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.792 10.553 1.252 1.00 0.00 H new ATOM 378 N ALA A 29 -1.571 11.708 -1.329 1.00 0.00 N ATOM 379 CA ALA A 29 -2.228 11.613 -2.621 1.00 0.00 C ATOM 380 C ALA A 29 -1.170 11.478 -3.718 1.00 0.00 C ATOM 381 O ALA A 29 -1.206 10.576 -4.552 1.00 0.00 O ATOM 382 CB ALA A 29 -3.129 12.833 -2.827 1.00 0.00 C ATOM 0 H ALA A 29 -1.777 12.560 -0.807 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.863 10.728 -2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.622 12.762 -3.797 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.881 12.867 -2.039 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.526 13.740 -2.792 1.00 0.00 H new ATOM 388 N TYR A 30 -0.214 12.409 -3.697 1.00 0.00 N ATOM 389 CA TYR A 30 0.860 12.421 -4.670 1.00 0.00 C ATOM 390 C TYR A 30 1.500 11.042 -4.750 1.00 0.00 C ATOM 391 O TYR A 30 1.730 10.557 -5.857 1.00 0.00 O ATOM 392 CB TYR A 30 1.891 13.474 -4.274 1.00 0.00 C ATOM 393 CG TYR A 30 3.008 13.632 -5.278 1.00 0.00 C ATOM 394 CD1 TYR A 30 2.710 13.816 -6.633 1.00 0.00 C ATOM 395 CD2 TYR A 30 4.342 13.594 -4.853 1.00 0.00 C ATOM 396 CE1 TYR A 30 3.745 13.962 -7.564 1.00 0.00 C ATOM 397 CE2 TYR A 30 5.377 13.741 -5.784 1.00 0.00 C ATOM 398 CZ TYR A 30 5.079 13.924 -7.140 1.00 0.00 C ATOM 399 OH TYR A 30 6.087 14.066 -8.047 1.00 0.00 O ATOM 0 H TYR A 30 -0.169 13.163 -3.011 1.00 0.00 H new ATOM 0 HA TYR A 30 0.463 12.672 -5.653 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.389 14.433 -4.148 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.318 13.208 -3.307 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.681 13.845 -6.960 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.572 13.451 -3.807 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.515 14.104 -8.610 1.00 0.00 H new ATOM 0 HE2 TYR A 30 6.406 13.713 -5.456 1.00 0.00 H new ATOM 0 HH TYR A 30 6.860 14.485 -7.614 1.00 0.00 H new ATOM 409 N GLU A 31 1.771 10.446 -3.598 1.00 0.00 N ATOM 410 CA GLU A 31 2.382 9.128 -3.563 1.00 0.00 C ATOM 411 C GLU A 31 1.404 8.076 -4.092 1.00 0.00 C ATOM 412 O GLU A 31 1.763 7.261 -4.941 1.00 0.00 O ATOM 413 CB GLU A 31 2.852 8.779 -2.150 1.00 0.00 C ATOM 414 CG GLU A 31 4.286 8.247 -2.165 1.00 0.00 C ATOM 415 CD GLU A 31 5.201 9.114 -1.297 1.00 0.00 C ATOM 416 OE1 GLU A 31 5.199 8.976 -0.064 1.00 0.00 O ATOM 417 OE2 GLU A 31 5.934 9.953 -1.947 1.00 0.00 O ATOM 0 H GLU A 31 1.579 10.852 -2.682 1.00 0.00 H new ATOM 0 HA GLU A 31 3.259 9.138 -4.210 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.795 9.663 -1.515 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.188 8.032 -1.716 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.300 7.219 -1.802 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.660 8.228 -3.189 1.00 0.00 H new ATOM 425 N PHE A 32 0.189 8.128 -3.568 1.00 0.00 N ATOM 426 CA PHE A 32 -0.843 7.189 -3.976 1.00 0.00 C ATOM 427 C PHE A 32 -0.891 7.056 -5.499 1.00 0.00 C ATOM 428 O PHE A 32 -1.300 6.021 -6.023 1.00 0.00 O ATOM 429 CB PHE A 32 -2.178 7.749 -3.482 1.00 0.00 C ATOM 430 CG PHE A 32 -3.403 7.036 -4.057 1.00 0.00 C ATOM 431 CD1 PHE A 32 -3.434 5.677 -4.114 1.00 0.00 C ATOM 432 CD2 PHE A 32 -4.461 7.760 -4.511 1.00 0.00 C ATOM 433 CE1 PHE A 32 -4.571 5.015 -4.648 1.00 0.00 C ATOM 434 CE2 PHE A 32 -5.598 7.097 -5.045 1.00 0.00 C ATOM 435 CZ PHE A 32 -5.629 5.739 -5.102 1.00 0.00 C ATOM 0 H PHE A 32 -0.105 8.805 -2.864 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.636 6.204 -3.558 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.208 7.682 -2.395 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.233 8.807 -3.737 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.594 5.102 -3.753 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.437 8.839 -4.466 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.596 3.936 -4.694 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.438 7.672 -5.406 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.494 5.235 -5.508 1.00 0.00 H new ATOM 445 N GLU A 33 -0.468 8.119 -6.168 1.00 0.00 N ATOM 446 CA GLU A 33 -0.459 8.134 -7.621 1.00 0.00 C ATOM 447 C GLU A 33 0.622 7.192 -8.154 1.00 0.00 C ATOM 448 O GLU A 33 0.394 6.461 -9.117 1.00 0.00 O ATOM 449 CB GLU A 33 -0.259 9.555 -8.153 1.00 0.00 C ATOM 450 CG GLU A 33 -1.535 10.076 -8.817 1.00 0.00 C ATOM 451 CD GLU A 33 -2.688 10.142 -7.813 1.00 0.00 C ATOM 452 OE1 GLU A 33 -2.449 10.181 -6.597 1.00 0.00 O ATOM 453 OE2 GLU A 33 -3.866 10.153 -8.337 1.00 0.00 O ATOM 0 H GLU A 33 -0.129 8.976 -5.730 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.428 7.782 -7.975 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.026 10.217 -7.335 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.560 9.566 -8.872 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.354 11.067 -9.234 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.808 9.426 -9.648 1.00 0.00 H new ATOM 461 N GLN A 34 1.776 7.239 -7.504 1.00 0.00 N ATOM 462 CA GLN A 34 2.893 6.398 -7.901 1.00 0.00 C ATOM 463 C GLN A 34 2.447 4.938 -8.007 1.00 0.00 C ATOM 464 O GLN A 34 2.905 4.208 -8.884 1.00 0.00 O ATOM 465 CB GLN A 34 4.063 6.545 -6.927 1.00 0.00 C ATOM 466 CG GLN A 34 4.653 7.955 -6.987 1.00 0.00 C ATOM 467 CD GLN A 34 4.816 8.420 -8.436 1.00 0.00 C ATOM 468 OE1 GLN A 34 5.159 7.658 -9.325 1.00 0.00 O ATOM 469 NE2 GLN A 34 4.550 9.710 -8.623 1.00 0.00 N ATOM 0 H GLN A 34 1.962 7.846 -6.706 1.00 0.00 H new ATOM 0 HA GLN A 34 3.237 6.724 -8.882 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.726 6.331 -5.913 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.835 5.814 -7.167 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.005 8.647 -6.450 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.621 7.970 -6.485 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.268 10.292 -7.834 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.628 10.117 -9.555 1.00 0.00 H new ATOM 478 N CYS A 35 1.560 4.557 -7.100 1.00 0.00 N ATOM 479 CA CYS A 35 1.047 3.197 -7.080 1.00 0.00 C ATOM 480 C CYS A 35 -0.176 3.132 -7.997 1.00 0.00 C ATOM 481 O CYS A 35 -1.210 2.583 -7.619 1.00 0.00 O ATOM 482 CB CYS A 35 0.720 2.737 -5.658 1.00 0.00 C ATOM 483 SG CYS A 35 1.691 3.559 -4.343 1.00 0.00 S ATOM 0 H CYS A 35 1.183 5.166 -6.374 1.00 0.00 H new ATOM 0 HA CYS A 35 1.811 2.511 -7.446 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.340 2.910 -5.470 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.884 1.661 -5.593 1.00 0.00 H new ATOM 0 HG CYS A 35 1.331 3.095 -3.183 1.00 0.00 H new ATOM 488 N GLN A 36 -0.017 3.698 -9.184 1.00 0.00 N ATOM 489 CA GLN A 36 -1.096 3.711 -10.157 1.00 0.00 C ATOM 490 C GLN A 36 -0.529 3.676 -11.578 1.00 0.00 C ATOM 491 O GLN A 36 -0.709 4.621 -12.346 1.00 0.00 O ATOM 492 CB GLN A 36 -2.000 4.929 -9.958 1.00 0.00 C ATOM 493 CG GLN A 36 -3.466 4.509 -9.829 1.00 0.00 C ATOM 494 CD GLN A 36 -4.214 5.419 -8.854 1.00 0.00 C ATOM 495 OE1 GLN A 36 -4.841 4.975 -7.906 1.00 0.00 O ATOM 496 NE2 GLN A 36 -4.114 6.715 -9.138 1.00 0.00 N ATOM 0 H GLN A 36 0.843 4.151 -9.494 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.705 2.820 -10.007 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.693 5.472 -9.064 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.886 5.612 -10.800 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.946 4.546 -10.807 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.523 3.476 -9.485 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.573 7.019 -9.947 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.578 7.404 -8.546 1.00 0.00 H new ATOM 505 N SER A 37 0.145 2.577 -11.885 1.00 0.00 N ATOM 506 CA SER A 37 0.739 2.407 -13.200 1.00 0.00 C ATOM 507 C SER A 37 1.114 0.940 -13.419 1.00 0.00 C ATOM 508 O SER A 37 0.462 0.236 -14.189 1.00 0.00 O ATOM 509 CB SER A 37 1.969 3.300 -13.368 1.00 0.00 C ATOM 510 OG SER A 37 2.842 3.225 -12.244 1.00 0.00 O ATOM 0 H SER A 37 0.293 1.796 -11.246 1.00 0.00 H new ATOM 0 HA SER A 37 0.004 2.703 -13.948 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.510 3.006 -14.267 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.650 4.333 -13.511 1.00 0.00 H new ATOM 0 HG SER A 37 3.616 3.808 -12.391 1.00 0.00 H new ATOM 516 N CYS A 38 2.164 0.521 -12.727 1.00 0.00 N ATOM 517 CA CYS A 38 2.634 -0.849 -12.836 1.00 0.00 C ATOM 518 C CYS A 38 1.596 -1.766 -12.186 1.00 0.00 C ATOM 519 O CYS A 38 1.673 -2.987 -12.316 1.00 0.00 O ATOM 520 CB CYS A 38 4.020 -1.023 -12.211 1.00 0.00 C ATOM 521 SG CYS A 38 5.065 0.430 -12.591 1.00 0.00 S ATOM 0 H CYS A 38 2.702 1.107 -12.089 1.00 0.00 H new ATOM 0 HA CYS A 38 2.745 -1.115 -13.887 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.929 -1.143 -11.132 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.490 -1.929 -12.594 1.00 0.00 H new ATOM 0 HG CYS A 38 6.238 0.273 -12.054 1.00 0.00 H new ATOM 526 N HIS A 39 0.649 -1.142 -11.501 1.00 0.00 N ATOM 527 CA HIS A 39 -0.404 -1.887 -10.831 1.00 0.00 C ATOM 528 C HIS A 39 -1.760 -1.512 -11.432 1.00 0.00 C ATOM 529 O HIS A 39 -2.233 -2.164 -12.361 1.00 0.00 O ATOM 530 CB HIS A 39 -0.345 -1.669 -9.318 1.00 0.00 C ATOM 531 CG HIS A 39 0.885 -2.249 -8.661 1.00 0.00 C ATOM 532 ND1 HIS A 39 1.181 -3.601 -8.687 1.00 0.00 N ATOM 533 CD2 HIS A 39 1.890 -1.647 -7.963 1.00 0.00 C ATOM 534 CE1 HIS A 39 2.316 -3.793 -8.029 1.00 0.00 C ATOM 535 NE2 HIS A 39 2.753 -2.581 -7.581 1.00 0.00 N ATOM 0 H HIS A 39 0.589 -0.129 -11.395 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.258 -2.955 -10.991 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.383 -0.599 -9.114 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.231 -2.112 -8.863 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.970 -0.590 -7.756 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.808 -4.742 -7.875 1.00 0.00 H new ATOM 0 HE2 HIS A 39 3.603 -2.419 -7.041 1.00 0.00 H new ATOM 543 N GLY A 40 -2.347 -0.462 -10.876 1.00 0.00 N ATOM 544 CA GLY A 40 -3.640 0.007 -11.345 1.00 0.00 C ATOM 545 C GLY A 40 -4.388 0.752 -10.237 1.00 0.00 C ATOM 546 O GLY A 40 -3.772 1.275 -9.311 1.00 0.00 O ATOM 0 H GLY A 40 -1.951 0.077 -10.106 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.503 0.666 -12.202 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.236 -0.840 -11.686 1.00 0.00 H new ATOM 550 N SER A 41 -5.706 0.775 -10.370 1.00 0.00 N ATOM 551 CA SER A 41 -6.545 1.446 -9.391 1.00 0.00 C ATOM 552 C SER A 41 -7.329 0.414 -8.578 1.00 0.00 C ATOM 553 O SER A 41 -7.689 -0.644 -9.092 1.00 0.00 O ATOM 554 CB SER A 41 -7.504 2.427 -10.068 1.00 0.00 C ATOM 555 OG SER A 41 -8.818 2.352 -9.523 1.00 0.00 O ATOM 0 H SER A 41 -6.214 0.340 -11.140 1.00 0.00 H new ATOM 0 HA SER A 41 -5.900 2.014 -8.720 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.123 3.442 -9.956 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.542 2.217 -11.137 1.00 0.00 H new ATOM 0 HG SER A 41 -9.356 3.097 -9.864 1.00 0.00 H new ATOM 561 N LEU A 42 -7.569 0.757 -7.321 1.00 0.00 N ATOM 562 CA LEU A 42 -8.304 -0.127 -6.431 1.00 0.00 C ATOM 563 C LEU A 42 -9.659 -0.463 -7.058 1.00 0.00 C ATOM 564 O LEU A 42 -10.180 -1.560 -6.867 1.00 0.00 O ATOM 565 CB LEU A 42 -8.408 0.486 -5.033 1.00 0.00 C ATOM 566 CG LEU A 42 -7.087 0.910 -4.387 1.00 0.00 C ATOM 567 CD1 LEU A 42 -7.249 2.223 -3.619 1.00 0.00 C ATOM 568 CD2 LEU A 42 -6.527 -0.206 -3.503 1.00 0.00 C ATOM 0 H LEU A 42 -7.268 1.635 -6.897 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.770 -1.068 -6.302 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.059 1.358 -5.088 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.896 -0.235 -4.377 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.360 1.089 -5.180 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.296 2.502 -3.170 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.571 3.008 -4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.996 2.096 -2.836 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.588 0.121 -3.056 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.243 -0.439 -2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.351 -1.095 -4.108 1.00 0.00 H new ATOM 580 N ALA A 43 -10.191 0.503 -7.793 1.00 0.00 N ATOM 581 CA ALA A 43 -11.475 0.323 -8.448 1.00 0.00 C ATOM 582 C ALA A 43 -11.317 -0.661 -9.609 1.00 0.00 C ATOM 583 O ALA A 43 -12.299 -1.039 -10.245 1.00 0.00 O ATOM 584 CB ALA A 43 -12.010 1.682 -8.905 1.00 0.00 C ATOM 0 H ALA A 43 -9.756 1.412 -7.949 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.203 -0.098 -7.755 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.973 1.547 -9.397 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.132 2.334 -8.040 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.306 2.134 -9.604 1.00 0.00 H new ATOM 590 N GLU A 44 -10.073 -1.048 -9.850 1.00 0.00 N ATOM 591 CA GLU A 44 -9.773 -1.980 -10.923 1.00 0.00 C ATOM 592 C GLU A 44 -9.073 -3.222 -10.367 1.00 0.00 C ATOM 593 O GLU A 44 -8.342 -3.901 -11.087 1.00 0.00 O ATOM 594 CB GLU A 44 -8.927 -1.314 -12.009 1.00 0.00 C ATOM 595 CG GLU A 44 -9.775 -0.367 -12.861 1.00 0.00 C ATOM 596 CD GLU A 44 -8.889 0.548 -13.710 1.00 0.00 C ATOM 597 OE1 GLU A 44 -8.839 1.762 -13.467 1.00 0.00 O ATOM 598 OE2 GLU A 44 -8.238 -0.046 -14.652 1.00 0.00 O ATOM 0 H GLU A 44 -9.261 -0.733 -9.320 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.712 -2.290 -11.381 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.108 -0.760 -11.549 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.478 -2.077 -12.645 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.433 -0.946 -13.509 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.413 0.236 -12.215 1.00 0.00 H new ATOM 606 N MET A 45 -9.321 -3.481 -9.092 1.00 0.00 N ATOM 607 CA MET A 45 -8.724 -4.629 -8.431 1.00 0.00 C ATOM 608 C MET A 45 -9.797 -5.617 -7.971 1.00 0.00 C ATOM 609 O MET A 45 -10.973 -5.457 -8.295 1.00 0.00 O ATOM 610 CB MET A 45 -7.912 -4.157 -7.223 1.00 0.00 C ATOM 611 CG MET A 45 -6.729 -3.292 -7.662 1.00 0.00 C ATOM 612 SD MET A 45 -5.417 -3.395 -6.456 1.00 0.00 S ATOM 613 CE MET A 45 -4.422 -2.001 -6.961 1.00 0.00 C ATOM 0 H MET A 45 -9.928 -2.915 -8.498 1.00 0.00 H new ATOM 0 HA MET A 45 -8.072 -5.136 -9.143 1.00 0.00 H new ATOM 0 HB2 MET A 45 -8.553 -3.588 -6.549 1.00 0.00 H new ATOM 0 HB3 MET A 45 -7.549 -5.020 -6.665 1.00 0.00 H new ATOM 0 HG2 MET A 45 -6.367 -3.624 -8.635 1.00 0.00 H new ATOM 0 HG3 MET A 45 -7.048 -2.256 -7.777 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.553 -1.918 -6.308 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.090 -2.144 -7.989 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.014 -1.088 -6.894 1.00 0.00 H new ATOM 623 N ASP A 46 -9.354 -6.616 -7.223 1.00 0.00 N ATOM 624 CA ASP A 46 -10.263 -7.630 -6.714 1.00 0.00 C ATOM 625 C ASP A 46 -11.441 -6.949 -6.016 1.00 0.00 C ATOM 626 O ASP A 46 -11.493 -5.723 -5.932 1.00 0.00 O ATOM 627 CB ASP A 46 -9.566 -8.532 -5.694 1.00 0.00 C ATOM 628 CG ASP A 46 -8.165 -8.079 -5.280 1.00 0.00 C ATOM 629 OD1 ASP A 46 -7.860 -7.956 -4.084 1.00 0.00 O ATOM 630 OD2 ASP A 46 -7.357 -7.844 -6.258 1.00 0.00 O ATOM 0 H ASP A 46 -8.378 -6.746 -6.957 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.602 -8.233 -7.557 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.189 -8.595 -4.802 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.499 -9.538 -6.108 1.00 0.00 H new ATOM 636 N ASP A 47 -12.359 -7.774 -5.534 1.00 0.00 N ATOM 637 CA ASP A 47 -13.534 -7.266 -4.846 1.00 0.00 C ATOM 638 C ASP A 47 -13.178 -6.970 -3.388 1.00 0.00 C ATOM 639 O ASP A 47 -14.052 -6.652 -2.584 1.00 0.00 O ATOM 640 CB ASP A 47 -14.666 -8.296 -4.856 1.00 0.00 C ATOM 641 CG ASP A 47 -14.540 -9.406 -3.810 1.00 0.00 C ATOM 642 OD1 ASP A 47 -14.975 -9.251 -2.659 1.00 0.00 O ATOM 643 OD2 ASP A 47 -13.958 -10.480 -4.223 1.00 0.00 O ATOM 0 H ASP A 47 -12.313 -8.790 -5.606 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.862 -6.363 -5.361 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -15.611 -7.776 -4.700 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.713 -8.753 -5.845 1.00 0.00 H new ATOM 649 N ASN A 48 -11.891 -7.084 -3.092 1.00 0.00 N ATOM 650 CA ASN A 48 -11.408 -6.832 -1.745 1.00 0.00 C ATOM 651 C ASN A 48 -10.778 -5.439 -1.686 1.00 0.00 C ATOM 652 O ASN A 48 -10.773 -4.800 -0.635 1.00 0.00 O ATOM 653 CB ASN A 48 -10.341 -7.851 -1.343 1.00 0.00 C ATOM 654 CG ASN A 48 -10.818 -9.280 -1.611 1.00 0.00 C ATOM 655 OD1 ASN A 48 -11.965 -9.526 -1.949 1.00 0.00 O ATOM 656 ND2 ASN A 48 -9.878 -10.205 -1.442 1.00 0.00 N ATOM 0 H ASN A 48 -11.168 -7.347 -3.762 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.255 -6.909 -1.063 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.423 -7.660 -1.899 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.103 -7.736 -0.286 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.097 -11.189 -1.596 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.938 -9.931 -1.158 1.00 0.00 H new ATOM 663 N HIS A 49 -10.262 -5.009 -2.828 1.00 0.00 N ATOM 664 CA HIS A 49 -9.631 -3.704 -2.920 1.00 0.00 C ATOM 665 C HIS A 49 -10.672 -2.657 -3.320 1.00 0.00 C ATOM 666 O HIS A 49 -10.659 -1.537 -2.811 1.00 0.00 O ATOM 667 CB HIS A 49 -8.435 -3.744 -3.873 1.00 0.00 C ATOM 668 CG HIS A 49 -7.201 -4.385 -3.284 1.00 0.00 C ATOM 669 ND1 HIS A 49 -7.029 -5.757 -3.214 1.00 0.00 N ATOM 670 CD2 HIS A 49 -6.081 -3.829 -2.739 1.00 0.00 C ATOM 671 CE1 HIS A 49 -5.856 -6.003 -2.649 1.00 0.00 C ATOM 672 NE2 HIS A 49 -5.270 -4.807 -2.355 1.00 0.00 N ATOM 0 H HIS A 49 -10.268 -5.542 -3.698 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.235 -3.419 -1.945 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -8.719 -4.288 -4.774 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.193 -2.726 -4.178 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -7.692 -6.459 -3.542 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -5.887 -2.771 -2.637 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.437 -6.979 -2.455 1.00 0.00 H new ATOM 680 N LYS A 50 -11.549 -3.058 -4.228 1.00 0.00 N ATOM 681 CA LYS A 50 -12.596 -2.169 -4.702 1.00 0.00 C ATOM 682 C LYS A 50 -13.272 -1.500 -3.504 1.00 0.00 C ATOM 683 O LYS A 50 -13.180 -0.292 -3.293 1.00 0.00 O ATOM 684 CB LYS A 50 -13.566 -2.921 -5.615 1.00 0.00 C ATOM 685 CG LYS A 50 -13.068 -2.925 -7.062 1.00 0.00 C ATOM 686 CD LYS A 50 -14.219 -3.173 -8.038 1.00 0.00 C ATOM 687 CE LYS A 50 -14.715 -4.617 -7.946 1.00 0.00 C ATOM 688 NZ LYS A 50 -15.913 -4.809 -8.794 1.00 0.00 N ATOM 0 H LYS A 50 -11.556 -3.987 -4.648 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.171 -1.373 -5.314 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.681 -3.946 -5.264 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -14.551 -2.456 -5.567 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.593 -1.971 -7.289 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.308 -3.697 -7.187 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -15.039 -2.489 -7.820 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.890 -2.962 -9.055 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.926 -5.300 -8.261 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.952 -4.861 -6.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.237 -5.795 -8.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.670 -4.171 -8.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.675 -4.596 -9.784 1.00 0.00 H new ATOM 701 N PRO A 51 -13.964 -2.324 -2.714 1.00 0.00 N ATOM 702 CA PRO A 51 -14.680 -1.907 -1.527 1.00 0.00 C ATOM 703 C PRO A 51 -13.976 -0.712 -0.900 1.00 0.00 C ATOM 704 O PRO A 51 -14.647 0.257 -0.551 1.00 0.00 O ATOM 705 CB PRO A 51 -14.637 -3.118 -0.599 1.00 0.00 C ATOM 706 CG PRO A 51 -14.581 -4.309 -1.599 1.00 0.00 C ATOM 707 CD PRO A 51 -14.094 -3.748 -2.933 1.00 0.00 C ATOM 0 HA PRO A 51 -15.705 -1.599 -1.735 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.766 -3.097 0.055 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.517 -3.168 0.043 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.906 -5.085 -1.237 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -15.564 -4.767 -1.709 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.142 -4.191 -3.224 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -14.802 -3.961 -3.733 1.00 0.00 H new ATOM 715 N HIS A 52 -12.660 -0.800 -0.768 1.00 0.00 N ATOM 716 CA HIS A 52 -11.893 0.284 -0.180 1.00 0.00 C ATOM 717 C HIS A 52 -11.733 1.412 -1.201 1.00 0.00 C ATOM 718 O HIS A 52 -11.945 2.580 -0.879 1.00 0.00 O ATOM 719 CB HIS A 52 -10.553 -0.226 0.354 1.00 0.00 C ATOM 720 CG HIS A 52 -10.676 -1.135 1.554 1.00 0.00 C ATOM 721 ND1 HIS A 52 -10.253 -2.453 1.543 1.00 0.00 N ATOM 722 CD2 HIS A 52 -11.177 -0.901 2.801 1.00 0.00 C ATOM 723 CE1 HIS A 52 -10.495 -2.980 2.734 1.00 0.00 C ATOM 724 NE2 HIS A 52 -11.068 -2.017 3.513 1.00 0.00 N ATOM 0 H HIS A 52 -12.106 -1.606 -1.058 1.00 0.00 H new ATOM 0 HA HIS A 52 -12.429 0.690 0.678 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -10.036 -0.761 -0.443 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -9.931 0.628 0.620 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.827 -2.936 0.752 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -11.592 0.033 3.150 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -10.277 -3.994 3.036 1.00 0.00 H new ATOM 732 N ASP A 53 -11.360 1.024 -2.411 1.00 0.00 N ATOM 733 CA ASP A 53 -11.169 1.988 -3.481 1.00 0.00 C ATOM 734 C ASP A 53 -11.833 3.311 -3.094 1.00 0.00 C ATOM 735 O ASP A 53 -13.053 3.443 -3.169 1.00 0.00 O ATOM 736 CB ASP A 53 -11.810 1.501 -4.782 1.00 0.00 C ATOM 737 CG ASP A 53 -11.600 2.417 -5.989 1.00 0.00 C ATOM 738 OD1 ASP A 53 -12.561 2.957 -6.557 1.00 0.00 O ATOM 739 OD2 ASP A 53 -10.371 2.571 -6.350 1.00 0.00 O ATOM 0 H ASP A 53 -11.185 0.054 -2.675 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.097 2.116 -3.632 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.410 0.515 -5.019 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -12.881 1.380 -4.619 1.00 0.00 H new ATOM 745 N GLY A 54 -10.999 4.257 -2.687 1.00 0.00 N ATOM 746 CA GLY A 54 -11.490 5.565 -2.288 1.00 0.00 C ATOM 747 C GLY A 54 -11.774 5.609 -0.785 1.00 0.00 C ATOM 748 O GLY A 54 -12.873 5.971 -0.368 1.00 0.00 O ATOM 0 H GLY A 54 -9.987 4.144 -2.625 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.755 6.327 -2.545 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.400 5.800 -2.841 1.00 0.00 H new ATOM 752 N LEU A 55 -10.764 5.235 -0.013 1.00 0.00 N ATOM 753 CA LEU A 55 -10.891 5.227 1.434 1.00 0.00 C ATOM 754 C LEU A 55 -9.507 5.397 2.065 1.00 0.00 C ATOM 755 O LEU A 55 -9.220 6.428 2.670 1.00 0.00 O ATOM 756 CB LEU A 55 -11.629 3.970 1.900 1.00 0.00 C ATOM 757 CG LEU A 55 -13.139 4.114 2.099 1.00 0.00 C ATOM 758 CD1 LEU A 55 -13.781 2.763 2.424 1.00 0.00 C ATOM 759 CD2 LEU A 55 -13.455 5.169 3.161 1.00 0.00 C ATOM 0 H LEU A 55 -9.854 4.935 -0.363 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.499 6.068 1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -11.452 3.178 1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.188 3.642 2.841 1.00 0.00 H new ATOM 0 HG LEU A 55 -13.575 4.461 1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.854 2.894 2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -13.602 2.068 1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.345 2.364 3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.535 5.251 3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -13.004 4.877 4.110 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.051 6.132 2.849 1.00 0.00 H new ATOM 771 N LEU A 56 -8.688 4.369 1.901 1.00 0.00 N ATOM 772 CA LEU A 56 -7.341 4.391 2.446 1.00 0.00 C ATOM 773 C LEU A 56 -6.338 4.096 1.329 1.00 0.00 C ATOM 774 O LEU A 56 -6.664 3.408 0.363 1.00 0.00 O ATOM 775 CB LEU A 56 -7.230 3.440 3.640 1.00 0.00 C ATOM 776 CG LEU A 56 -7.070 1.957 3.302 1.00 0.00 C ATOM 777 CD1 LEU A 56 -6.081 1.281 4.254 1.00 0.00 C ATOM 778 CD2 LEU A 56 -8.427 1.248 3.288 1.00 0.00 C ATOM 0 H LEU A 56 -8.931 3.515 1.398 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.104 5.382 2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.379 3.748 4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.121 3.558 4.257 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.655 1.879 2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.986 0.227 3.992 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.108 1.765 4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.444 1.369 5.278 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.285 0.195 3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.893 1.334 4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.071 1.709 2.539 1.00 0.00 H new ATOM 790 N MET A 57 -5.137 4.631 1.499 1.00 0.00 N ATOM 791 CA MET A 57 -4.085 4.433 0.517 1.00 0.00 C ATOM 792 C MET A 57 -3.520 3.013 0.597 1.00 0.00 C ATOM 793 O MET A 57 -3.881 2.247 1.489 1.00 0.00 O ATOM 794 CB MET A 57 -2.962 5.443 0.762 1.00 0.00 C ATOM 795 CG MET A 57 -2.923 6.498 -0.345 1.00 0.00 C ATOM 796 SD MET A 57 -1.952 7.900 0.181 1.00 0.00 S ATOM 797 CE MET A 57 -3.120 8.694 1.273 1.00 0.00 C ATOM 0 H MET A 57 -4.870 5.201 2.302 1.00 0.00 H new ATOM 0 HA MET A 57 -4.509 4.580 -0.476 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.109 5.928 1.727 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.005 4.924 0.808 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.496 6.070 -1.252 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.936 6.818 -0.589 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.371 9.680 0.882 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.024 8.089 1.341 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.678 8.798 2.264 1.00 0.00 H new ATOM 807 N CYS A 58 -2.644 2.705 -0.348 1.00 0.00 N ATOM 808 CA CYS A 58 -2.026 1.391 -0.396 1.00 0.00 C ATOM 809 C CYS A 58 -1.178 1.213 0.865 1.00 0.00 C ATOM 810 O CYS A 58 -1.521 0.421 1.742 1.00 0.00 O ATOM 811 CB CYS A 58 -1.202 1.199 -1.670 1.00 0.00 C ATOM 812 SG CYS A 58 -2.006 1.797 -3.202 1.00 0.00 S ATOM 0 H CYS A 58 -2.348 3.343 -1.087 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.799 0.623 -0.424 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.249 1.715 -1.551 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.978 0.138 -1.784 1.00 0.00 H new ATOM 0 HG CYS A 58 -1.322 1.400 -4.234 1.00 0.00 H new ATOM 817 N ALA A 59 -0.086 1.962 0.915 1.00 0.00 N ATOM 818 CA ALA A 59 0.814 1.896 2.054 1.00 0.00 C ATOM 819 C ALA A 59 -0.004 1.756 3.339 1.00 0.00 C ATOM 820 O ALA A 59 0.241 0.856 4.141 1.00 0.00 O ATOM 821 CB ALA A 59 1.712 3.135 2.067 1.00 0.00 C ATOM 0 H ALA A 59 0.196 2.617 0.186 1.00 0.00 H new ATOM 0 HA ALA A 59 1.463 1.023 1.980 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.387 3.086 2.921 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.294 3.172 1.146 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.095 4.031 2.143 1.00 0.00 H new ATOM 827 N ASP A 60 -0.961 2.659 3.494 1.00 0.00 N ATOM 828 CA ASP A 60 -1.817 2.647 4.668 1.00 0.00 C ATOM 829 C ASP A 60 -2.098 1.199 5.075 1.00 0.00 C ATOM 830 O ASP A 60 -2.258 0.903 6.258 1.00 0.00 O ATOM 831 CB ASP A 60 -3.158 3.326 4.379 1.00 0.00 C ATOM 832 CG ASP A 60 -3.115 4.854 4.343 1.00 0.00 C ATOM 833 OD1 ASP A 60 -4.016 5.531 4.861 1.00 0.00 O ATOM 834 OD2 ASP A 60 -2.089 5.357 3.745 1.00 0.00 O ATOM 0 H ASP A 60 -1.162 3.403 2.826 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.304 3.186 5.465 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.531 2.966 3.420 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.876 3.016 5.138 1.00 0.00 H new ATOM 840 N CYS A 61 -2.149 0.336 4.071 1.00 0.00 N ATOM 841 CA CYS A 61 -2.408 -1.074 4.310 1.00 0.00 C ATOM 842 C CYS A 61 -1.104 -1.845 4.094 1.00 0.00 C ATOM 843 O CYS A 61 -0.674 -2.599 4.964 1.00 0.00 O ATOM 844 CB CYS A 61 -3.536 -1.600 3.420 1.00 0.00 C ATOM 845 SG CYS A 61 -5.068 -1.798 4.403 1.00 0.00 S ATOM 0 H CYS A 61 -2.016 0.585 3.091 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.747 -1.216 5.336 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.711 -0.910 2.594 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -3.249 -2.556 2.982 1.00 0.00 H new ATOM 0 HG CYS A 61 -5.082 -0.925 5.366 1.00 0.00 H new ATOM 850 N HIS A 62 -0.512 -1.628 2.928 1.00 0.00 N ATOM 851 CA HIS A 62 0.734 -2.293 2.587 1.00 0.00 C ATOM 852 C HIS A 62 1.913 -1.481 3.125 1.00 0.00 C ATOM 853 O HIS A 62 2.788 -1.071 2.364 1.00 0.00 O ATOM 854 CB HIS A 62 0.823 -2.540 1.079 1.00 0.00 C ATOM 855 CG HIS A 62 -0.253 -3.454 0.542 1.00 0.00 C ATOM 856 ND1 HIS A 62 -0.387 -4.771 0.945 1.00 0.00 N ATOM 857 CD2 HIS A 62 -1.242 -3.227 -0.369 1.00 0.00 C ATOM 858 CE1 HIS A 62 -1.414 -5.303 0.299 1.00 0.00 C ATOM 859 NE2 HIS A 62 -1.942 -4.345 -0.515 1.00 0.00 N ATOM 0 H HIS A 62 -0.872 -1.001 2.208 1.00 0.00 H new ATOM 0 HA HIS A 62 0.768 -3.274 3.060 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.765 -1.583 0.560 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.798 -2.969 0.848 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.425 -2.296 -0.884 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.770 -6.318 0.399 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -2.743 -4.467 -1.134 1.00 0.00 H new ATOM 867 N ALA A 63 1.899 -1.273 4.434 1.00 0.00 N ATOM 868 CA ALA A 63 2.956 -0.517 5.083 1.00 0.00 C ATOM 869 C ALA A 63 4.302 -0.893 4.460 1.00 0.00 C ATOM 870 O ALA A 63 4.923 -1.897 4.804 1.00 0.00 O ATOM 871 CB ALA A 63 2.918 -0.777 6.590 1.00 0.00 C ATOM 0 H ALA A 63 1.172 -1.615 5.062 1.00 0.00 H new ATOM 0 HA ALA A 63 2.811 0.553 4.933 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.711 -0.210 7.077 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.952 -0.466 6.989 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.064 -1.840 6.780 1.00 0.00 H new ATOM 877 N PRO A 64 4.744 -0.052 3.523 1.00 0.00 N ATOM 878 CA PRO A 64 5.991 -0.212 2.805 1.00 0.00 C ATOM 879 C PRO A 64 7.157 -0.086 3.775 1.00 0.00 C ATOM 880 O PRO A 64 7.959 -1.016 3.864 1.00 0.00 O ATOM 881 CB PRO A 64 6.003 0.923 1.784 1.00 0.00 C ATOM 882 CG PRO A 64 4.517 1.384 1.665 1.00 0.00 C ATOM 883 CD PRO A 64 4.040 1.137 3.094 1.00 0.00 C ATOM 0 HA PRO A 64 6.082 -1.185 2.322 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.644 1.741 2.113 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.388 0.583 0.822 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.429 2.430 1.372 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.958 0.800 0.934 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.269 1.986 3.739 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.960 0.991 3.130 1.00 0.00 H new ATOM 891 N HIS A 65 7.233 1.039 4.470 1.00 0.00 N ATOM 892 CA HIS A 65 8.309 1.260 5.422 1.00 0.00 C ATOM 893 C HIS A 65 7.973 0.570 6.746 1.00 0.00 C ATOM 894 O HIS A 65 7.960 1.209 7.797 1.00 0.00 O ATOM 895 CB HIS A 65 8.590 2.754 5.586 1.00 0.00 C ATOM 896 CG HIS A 65 9.279 3.384 4.399 1.00 0.00 C ATOM 897 ND1 HIS A 65 10.468 2.902 3.880 1.00 0.00 N ATOM 898 CD2 HIS A 65 8.934 4.460 3.635 1.00 0.00 C ATOM 899 CE1 HIS A 65 10.814 3.662 2.851 1.00 0.00 C ATOM 900 NE2 HIS A 65 9.862 4.627 2.701 1.00 0.00 N ATOM 0 H HIS A 65 6.567 1.808 4.393 1.00 0.00 H new ATOM 0 HA HIS A 65 9.230 0.816 5.045 1.00 0.00 H new ATOM 0 HB2 HIS A 65 7.648 3.273 5.764 1.00 0.00 H new ATOM 0 HB3 HIS A 65 9.207 2.902 6.472 1.00 0.00 H new ATOM 0 HD2 HIS A 65 8.054 5.072 3.768 1.00 0.00 H new ATOM 0 HE1 HIS A 65 11.695 3.539 2.239 1.00 0.00 H new ATOM 0 HE2 HIS A 65 9.863 5.357 1.988 1.00 0.00 H new ATOM 908 N GLU A 66 7.709 -0.724 6.651 1.00 0.00 N ATOM 909 CA GLU A 66 7.373 -1.507 7.829 1.00 0.00 C ATOM 910 C GLU A 66 7.120 -2.966 7.442 1.00 0.00 C ATOM 911 O GLU A 66 7.824 -3.864 7.898 1.00 0.00 O ATOM 912 CB GLU A 66 6.164 -0.915 8.555 1.00 0.00 C ATOM 913 CG GLU A 66 5.799 -1.750 9.783 1.00 0.00 C ATOM 914 CD GLU A 66 5.653 -0.867 11.024 1.00 0.00 C ATOM 915 OE1 GLU A 66 4.545 -0.400 11.326 1.00 0.00 O ATOM 916 OE2 GLU A 66 6.744 -0.672 11.686 1.00 0.00 O ATOM 0 H GLU A 66 7.721 -1.251 5.777 1.00 0.00 H new ATOM 0 HA GLU A 66 8.219 -1.475 8.516 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.383 0.109 8.859 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.313 -0.870 7.875 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.866 -2.283 9.600 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.568 -2.503 9.957 1.00 0.00 H new ATOM 924 N ALA A 67 6.111 -3.155 6.604 1.00 0.00 N ATOM 925 CA ALA A 67 5.755 -4.489 6.150 1.00 0.00 C ATOM 926 C ALA A 67 6.911 -5.070 5.333 1.00 0.00 C ATOM 927 O ALA A 67 7.842 -4.352 4.971 1.00 0.00 O ATOM 928 CB ALA A 67 4.451 -4.427 5.353 1.00 0.00 C ATOM 0 H ALA A 67 5.529 -2.407 6.228 1.00 0.00 H new ATOM 0 HA ALA A 67 5.586 -5.151 6.999 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.185 -5.428 5.013 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.655 -4.035 5.987 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.582 -3.774 4.491 1.00 0.00 H new ATOM 934 N LYS A 68 6.813 -6.364 5.065 1.00 0.00 N ATOM 935 CA LYS A 68 7.838 -7.049 4.297 1.00 0.00 C ATOM 936 C LYS A 68 7.176 -7.866 3.186 1.00 0.00 C ATOM 937 O LYS A 68 6.159 -8.519 3.412 1.00 0.00 O ATOM 938 CB LYS A 68 8.734 -7.879 5.219 1.00 0.00 C ATOM 939 CG LYS A 68 7.996 -8.259 6.505 1.00 0.00 C ATOM 940 CD LYS A 68 8.843 -9.198 7.366 1.00 0.00 C ATOM 941 CE LYS A 68 8.983 -10.571 6.705 1.00 0.00 C ATOM 942 NZ LYS A 68 8.283 -11.603 7.501 1.00 0.00 N ATOM 0 H LYS A 68 6.039 -6.956 5.366 1.00 0.00 H new ATOM 0 HA LYS A 68 8.497 -6.328 3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.058 -8.782 4.701 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.632 -7.313 5.465 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.756 -7.359 7.070 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.050 -8.741 6.257 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.830 -8.763 7.522 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.385 -9.309 8.349 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.571 -10.539 5.697 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.038 -10.830 6.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.388 -12.529 7.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.695 -11.644 8.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.273 -11.363 7.570 1.00 0.00 H new ATOM 955 N VAL A 69 7.781 -7.803 2.009 1.00 0.00 N ATOM 956 CA VAL A 69 7.263 -8.529 0.861 1.00 0.00 C ATOM 957 C VAL A 69 6.690 -9.869 1.327 1.00 0.00 C ATOM 958 O VAL A 69 7.341 -10.601 2.071 1.00 0.00 O ATOM 959 CB VAL A 69 8.356 -8.682 -0.198 1.00 0.00 C ATOM 960 CG1 VAL A 69 8.127 -9.936 -1.044 1.00 0.00 C ATOM 961 CG2 VAL A 69 8.444 -7.434 -1.080 1.00 0.00 C ATOM 0 H VAL A 69 8.625 -7.261 1.825 1.00 0.00 H new ATOM 0 HA VAL A 69 6.451 -7.973 0.392 1.00 0.00 H new ATOM 0 HB VAL A 69 9.309 -8.795 0.318 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.918 -10.022 -1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.138 -10.816 -0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.162 -9.865 -1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.229 -7.569 -1.824 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.490 -7.276 -1.583 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.676 -6.567 -0.462 1.00 0.00 H new ATOM 971 N GLY A 70 5.478 -10.149 0.870 1.00 0.00 N ATOM 972 CA GLY A 70 4.810 -11.388 1.231 1.00 0.00 C ATOM 973 C GLY A 70 4.099 -11.255 2.579 1.00 0.00 C ATOM 974 O GLY A 70 4.064 -12.203 3.362 1.00 0.00 O ATOM 0 H GLY A 70 4.941 -9.539 0.253 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.087 -11.654 0.459 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.538 -12.198 1.278 1.00 0.00 H new ATOM 978 N GLU A 71 3.550 -10.071 2.808 1.00 0.00 N ATOM 979 CA GLU A 71 2.841 -9.802 4.048 1.00 0.00 C ATOM 980 C GLU A 71 1.337 -9.699 3.788 1.00 0.00 C ATOM 981 O GLU A 71 0.913 -9.086 2.809 1.00 0.00 O ATOM 982 CB GLU A 71 3.370 -8.532 4.717 1.00 0.00 C ATOM 983 CG GLU A 71 4.003 -8.850 6.073 1.00 0.00 C ATOM 984 CD GLU A 71 3.084 -8.426 7.220 1.00 0.00 C ATOM 985 OE1 GLU A 71 1.984 -8.979 7.370 1.00 0.00 O ATOM 986 OE2 GLU A 71 3.548 -7.486 7.972 1.00 0.00 O ATOM 0 H GLU A 71 3.582 -9.287 2.156 1.00 0.00 H new ATOM 0 HA GLU A 71 3.015 -10.633 4.731 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.107 -8.056 4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.555 -7.820 4.850 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.207 -9.919 6.142 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.961 -8.337 6.161 1.00 0.00 H new ATOM 994 N LYS A 72 0.571 -10.309 4.681 1.00 0.00 N ATOM 995 CA LYS A 72 -0.877 -10.294 4.560 1.00 0.00 C ATOM 996 C LYS A 72 -1.472 -9.500 5.724 1.00 0.00 C ATOM 997 O LYS A 72 -1.783 -10.033 6.787 1.00 0.00 O ATOM 998 CB LYS A 72 -1.420 -11.719 4.447 1.00 0.00 C ATOM 999 CG LYS A 72 -1.241 -12.263 3.027 1.00 0.00 C ATOM 1000 CD LYS A 72 -2.557 -12.825 2.486 1.00 0.00 C ATOM 1001 CE LYS A 72 -2.485 -13.026 0.971 1.00 0.00 C ATOM 1002 NZ LYS A 72 -2.851 -14.415 0.614 1.00 0.00 N ATOM 0 H LYS A 72 0.926 -10.817 5.491 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.178 -9.790 3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.904 -12.366 5.156 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.477 -11.732 4.715 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.884 -11.469 2.372 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.480 -13.044 3.026 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.778 -13.775 2.972 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.374 -12.145 2.728 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.157 -12.327 0.473 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.478 -12.807 0.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.797 -14.534 -0.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.193 -15.076 1.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.821 -14.612 0.935 1.00 0.00 H new ATOM 1015 N PRO A 73 -1.627 -8.193 5.496 1.00 0.00 N ATOM 1016 CA PRO A 73 -2.172 -7.256 6.455 1.00 0.00 C ATOM 1017 C PRO A 73 -3.349 -7.893 7.178 1.00 0.00 C ATOM 1018 O PRO A 73 -3.972 -8.795 6.620 1.00 0.00 O ATOM 1019 CB PRO A 73 -2.624 -6.060 5.619 1.00 0.00 C ATOM 1020 CG PRO A 73 -1.559 -6.054 4.504 1.00 0.00 C ATOM 1021 CD PRO A 73 -1.272 -7.533 4.258 1.00 0.00 C ATOM 0 HA PRO A 73 -1.452 -6.962 7.218 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.632 -6.191 5.225 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.624 -5.133 6.193 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.928 -5.564 3.603 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.661 -5.519 4.813 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.860 -7.916 3.424 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.223 -7.696 4.010 1.00 0.00 H new ATOM 1029 N THR A 74 -3.628 -7.424 8.386 1.00 0.00 N ATOM 1030 CA THR A 74 -4.732 -7.964 9.162 1.00 0.00 C ATOM 1031 C THR A 74 -5.856 -6.934 9.279 1.00 0.00 C ATOM 1032 O THR A 74 -5.598 -5.748 9.483 1.00 0.00 O ATOM 1033 CB THR A 74 -4.180 -8.419 10.514 1.00 0.00 C ATOM 1034 OG1 THR A 74 -3.620 -7.235 11.076 1.00 0.00 O ATOM 1035 CG2 THR A 74 -2.986 -9.365 10.372 1.00 0.00 C ATOM 0 H THR A 74 -3.109 -6.676 8.846 1.00 0.00 H new ATOM 0 HA THR A 74 -5.177 -8.828 8.669 1.00 0.00 H new ATOM 0 HB THR A 74 -4.969 -8.914 11.080 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.338 -6.670 11.431 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.634 -9.657 11.361 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.289 -10.253 9.818 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.183 -8.860 9.835 1.00 0.00 H new ATOM 1043 N CYS A 75 -7.080 -7.423 9.146 1.00 0.00 N ATOM 1044 CA CYS A 75 -8.245 -6.559 9.235 1.00 0.00 C ATOM 1045 C CYS A 75 -8.371 -6.069 10.679 1.00 0.00 C ATOM 1046 O CYS A 75 -8.646 -4.894 10.917 1.00 0.00 O ATOM 1047 CB CYS A 75 -9.514 -7.271 8.760 1.00 0.00 C ATOM 1048 SG CYS A 75 -9.313 -8.266 7.238 1.00 0.00 S ATOM 0 H CYS A 75 -7.290 -8.407 8.977 1.00 0.00 H new ATOM 0 HA CYS A 75 -8.118 -5.703 8.573 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -9.869 -7.923 9.559 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -10.290 -6.525 8.589 1.00 0.00 H new ATOM 0 HG CYS A 75 -10.480 -8.649 6.813 1.00 0.00 H new ATOM 1053 N ASP A 76 -8.165 -6.995 11.604 1.00 0.00 N ATOM 1054 CA ASP A 76 -8.252 -6.672 13.018 1.00 0.00 C ATOM 1055 C ASP A 76 -7.599 -5.311 13.267 1.00 0.00 C ATOM 1056 O ASP A 76 -7.978 -4.597 14.194 1.00 0.00 O ATOM 1057 CB ASP A 76 -7.517 -7.711 13.866 1.00 0.00 C ATOM 1058 CG ASP A 76 -6.371 -8.434 13.155 1.00 0.00 C ATOM 1059 OD1 ASP A 76 -6.555 -9.521 12.589 1.00 0.00 O ATOM 1060 OD2 ASP A 76 -5.234 -7.826 13.198 1.00 0.00 O ATOM 0 H ASP A 76 -7.938 -7.969 11.402 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.306 -6.659 13.297 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.120 -7.218 14.754 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.238 -8.453 14.209 1.00 0.00 H new ATOM 1066 N THR A 77 -6.629 -4.992 12.422 1.00 0.00 N ATOM 1067 CA THR A 77 -5.920 -3.729 12.539 1.00 0.00 C ATOM 1068 C THR A 77 -6.908 -2.560 12.527 1.00 0.00 C ATOM 1069 O THR A 77 -6.775 -1.623 13.312 1.00 0.00 O ATOM 1070 CB THR A 77 -4.886 -3.662 11.414 1.00 0.00 C ATOM 1071 OG1 THR A 77 -4.338 -4.977 11.367 1.00 0.00 O ATOM 1072 CG2 THR A 77 -3.692 -2.773 11.768 1.00 0.00 C ATOM 0 H THR A 77 -6.318 -5.586 11.654 1.00 0.00 H new ATOM 0 HA THR A 77 -5.392 -3.658 13.490 1.00 0.00 H new ATOM 0 HB THR A 77 -5.361 -3.288 10.507 1.00 0.00 H new ATOM 0 HG1 THR A 77 -4.239 -5.257 10.433 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.988 -2.760 10.936 1.00 0.00 H new ATOM 0 HG22 THR A 77 -4.039 -1.759 11.965 1.00 0.00 H new ATOM 0 HG23 THR A 77 -3.197 -3.166 12.656 1.00 0.00 H new ATOM 1080 N CYS A 78 -7.876 -2.654 11.627 1.00 0.00 N ATOM 1081 CA CYS A 78 -8.885 -1.616 11.503 1.00 0.00 C ATOM 1082 C CYS A 78 -10.242 -2.218 11.873 1.00 0.00 C ATOM 1083 O CYS A 78 -10.979 -1.650 12.678 1.00 0.00 O ATOM 1084 CB CYS A 78 -8.896 -1.003 10.101 1.00 0.00 C ATOM 1085 SG CYS A 78 -7.479 0.139 9.907 1.00 0.00 S ATOM 0 H CYS A 78 -7.983 -3.433 10.977 1.00 0.00 H new ATOM 0 HA CYS A 78 -8.654 -0.797 12.185 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -8.844 -1.791 9.350 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -9.831 -0.467 9.937 1.00 0.00 H new ATOM 0 HG CYS A 78 -7.496 0.652 8.713 1.00 0.00 H new ATOM 1090 N HIS A 79 -10.531 -3.361 11.268 1.00 0.00 N ATOM 1091 CA HIS A 79 -11.786 -4.047 11.524 1.00 0.00 C ATOM 1092 C HIS A 79 -11.587 -5.088 12.626 1.00 0.00 C ATOM 1093 O HIS A 79 -11.237 -6.234 12.347 1.00 0.00 O ATOM 1094 CB HIS A 79 -12.349 -4.648 10.235 1.00 0.00 C ATOM 1095 CG HIS A 79 -12.390 -3.684 9.073 1.00 0.00 C ATOM 1096 ND1 HIS A 79 -13.026 -2.456 9.141 1.00 0.00 N ATOM 1097 CD2 HIS A 79 -11.867 -3.779 7.817 1.00 0.00 C ATOM 1098 CE1 HIS A 79 -12.886 -1.848 7.971 1.00 0.00 C ATOM 1099 NE2 HIS A 79 -12.168 -2.670 7.153 1.00 0.00 N ATOM 0 H HIS A 79 -9.917 -3.829 10.601 1.00 0.00 H new ATOM 0 HA HIS A 79 -12.529 -3.333 11.878 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -11.746 -5.512 9.956 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -13.358 -5.012 10.427 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -11.304 -4.615 7.429 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -13.272 -0.873 7.711 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -11.905 -2.466 6.189 1.00 0.00 H new ATOM 1140 N ARG A 83 -13.380 -9.344 11.203 1.00 0.00 N ATOM 1141 CA ARG A 83 -13.110 -9.217 9.781 1.00 0.00 C ATOM 1142 C ARG A 83 -11.846 -9.996 9.409 1.00 0.00 C ATOM 1143 O ARG A 83 -10.811 -9.853 10.058 1.00 0.00 O ATOM 1144 CB ARG A 83 -12.932 -7.751 9.382 1.00 0.00 C ATOM 1145 CG ARG A 83 -13.962 -7.341 8.327 1.00 0.00 C ATOM 1146 CD ARG A 83 -15.372 -7.767 8.741 1.00 0.00 C ATOM 1147 NE ARG A 83 -16.268 -6.590 8.773 1.00 0.00 N ATOM 1148 CZ ARG A 83 -16.925 -6.110 7.696 1.00 0.00 C ATOM 1149 NH1 ARG A 83 -16.791 -6.703 6.491 1.00 0.00 N ATOM 1150 NH2 ARG A 83 -17.700 -5.051 7.839 1.00 0.00 N ATOM 0 HA ARG A 83 -13.966 -9.626 9.244 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.035 -7.116 10.262 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -11.926 -7.596 8.993 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -13.932 -6.261 8.185 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.708 -7.796 7.370 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.757 -8.508 8.041 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -15.344 -8.240 9.723 1.00 0.00 H new ATOM 0 HE ARG A 83 -16.397 -6.111 9.664 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -16.190 -7.520 6.389 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -17.291 -6.334 5.682 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -17.795 -4.608 8.753 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -18.204 -4.675 7.035 1.00 0.00 H new ATOM 1160 N THR A 84 -11.972 -10.802 8.365 1.00 0.00 N ATOM 1161 CA THR A 84 -10.854 -11.603 7.899 1.00 0.00 C ATOM 1162 C THR A 84 -10.658 -11.422 6.392 1.00 0.00 C ATOM 1163 O THR A 84 -11.591 -11.047 5.683 1.00 0.00 O ATOM 1164 CB THR A 84 -11.109 -13.055 8.308 1.00 0.00 C ATOM 1165 OG1 THR A 84 -12.475 -13.276 7.968 1.00 0.00 O ATOM 1166 CG2 THR A 84 -11.065 -13.253 9.824 1.00 0.00 C ATOM 0 H THR A 84 -12.832 -10.917 7.829 1.00 0.00 H new ATOM 0 HA THR A 84 -9.919 -11.280 8.357 1.00 0.00 H new ATOM 0 HB THR A 84 -10.368 -13.700 7.837 1.00 0.00 H new ATOM 0 HG1 THR A 84 -12.725 -14.195 8.198 1.00 0.00 H new ATOM 0 HG21 THR A 84 -11.252 -14.301 10.060 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.083 -12.966 10.200 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.829 -12.633 10.294 1.00 0.00 H new ATOM 1174 N ALA A 85 -9.441 -11.696 5.948 1.00 0.00 N ATOM 1175 CA ALA A 85 -9.111 -11.568 4.539 1.00 0.00 C ATOM 1176 C ALA A 85 -9.931 -12.578 3.734 1.00 0.00 C ATOM 1177 O ALA A 85 -10.397 -13.578 4.278 1.00 0.00 O ATOM 1178 CB ALA A 85 -7.605 -11.754 4.347 1.00 0.00 C ATOM 0 H ALA A 85 -8.670 -12.007 6.540 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.364 -10.572 4.175 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.358 -11.658 3.290 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.069 -10.994 4.915 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.313 -12.743 4.699 1.00 0.00 H new ATOM 1184 N LYS A 86 -10.081 -12.283 2.451 1.00 0.00 N ATOM 1185 CA LYS A 86 -10.836 -13.153 1.566 1.00 0.00 C ATOM 1186 C LYS A 86 -10.007 -13.443 0.314 1.00 0.00 C ATOM 1187 O LYS A 86 -9.972 -14.576 -0.163 1.00 0.00 O ATOM 1188 CB LYS A 86 -12.211 -12.551 1.267 1.00 0.00 C ATOM 1189 CG LYS A 86 -13.138 -13.590 0.633 1.00 0.00 C ATOM 1190 CD LYS A 86 -14.265 -12.913 -0.150 1.00 0.00 C ATOM 1191 CE LYS A 86 -14.899 -13.885 -1.148 1.00 0.00 C ATOM 1192 NZ LYS A 86 -16.375 -13.802 -1.086 1.00 0.00 N ATOM 0 H LYS A 86 -9.692 -11.453 2.003 1.00 0.00 H new ATOM 0 HA LYS A 86 -11.031 -14.111 2.049 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.656 -12.176 2.189 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.101 -11.699 0.596 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.565 -14.236 -0.032 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -13.561 -14.227 1.410 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -15.025 -12.548 0.541 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.874 -12.045 -0.681 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.558 -13.653 -2.157 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.577 -14.903 -0.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.789 -14.468 -1.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.696 -14.045 -0.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.678 -12.835 -1.318 1.00 0.00 H new