USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 691 hydrogens (18 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 52 ASNHD21 : A 52 ASN ND2 : A1052 NAG C1 :(H bumps) USER MOD NoAdj-H: A 78 ASNHD21 : A 78 ASN ND2 : A1078 NAG C1 :(H bumps) USER MOD Set 1.1: A 90 HIS : no HD1:sc= -1.27! C(o=-1.3!,f=-1.1!) USER MOD Set 1.2: A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 1.15 K(o=1.1,f=-0.83) USER MOD Single : A 11 THR OG1 : rot 180:sc= -2.3! USER MOD Single : A 13 GLN : amide:sc= -5.63! C(o=-5.6!,f=-6.9!) USER MOD Single : A 15 ASN : amide:sc= -17.1! C(o=-17!,f=-19!) USER MOD Single : A 19 SER OG : rot 54:sc= 1.13 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc=-0.00378 K(o=-0.0038,f=-0.57) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -38:sc= 0.911 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -140:sc= 0.0171 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -3.9! C(o=-3.9!,f=-8.2!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 52:sc= 0.0622 USER MOD Single : A 55 SER OG : rot 52:sc= 1.08 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.47 USER MOD Single : A 71 MET CE :methyl 162:sc= -11.9! (180deg=-13.6!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS :FLIP no HE2:sc= -15! C(o=-16!,f=-15!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -3.6! USER MOD Single : A 83 HIS : no HE2:sc= -2.98 K(o=-3,f=-3.6!) USER MOD Single : A 85 SER OG : rot 71:sc= 0.989 USER MOD Single : A 86 THR OG1 : rot -80:sc= -0.94 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 30:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc=-0.00356 USER MOD Single : A1052 NAG O3 : rot 180:sc= 0 USER MOD Single : A1052 NAG O4 : rot 160:sc= 0 USER MOD Single : A1052 NAG O6 : rot 27:sc= 0.00231 USER MOD Single : A1078 NAG O3 : rot 180:sc= 0 USER MOD Single : A1078 NAG O4 : rot 160:sc= 0 USER MOD Single : A1078 NAG O6 : rot 180:sc= -0.0197 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.620 14.147 11.312 1.00 0.00 N ATOM 2 CA ALA A 1 -5.356 14.752 11.809 1.00 0.00 C ATOM 3 C ALA A 1 -5.347 16.260 11.581 1.00 0.00 C ATOM 4 O ALA A 1 -4.903 16.738 10.538 1.00 0.00 O ATOM 5 CB ALA A 1 -4.160 14.110 11.122 1.00 0.00 C ATOM 0 H1 ALA A 1 -6.602 13.121 11.478 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.427 14.566 11.817 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.716 14.331 10.293 1.00 0.00 H new ATOM 0 HA ALA A 1 -5.289 14.569 12.881 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -3.241 14.562 11.495 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -4.150 13.041 11.333 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -4.231 14.267 10.046 1.00 0.00 H new ATOM 13 N PRO A 2 -5.845 17.029 12.559 1.00 0.00 N ATOM 14 CA PRO A 2 -5.900 18.490 12.466 1.00 0.00 C ATOM 15 C PRO A 2 -4.524 19.139 12.604 1.00 0.00 C ATOM 16 O PRO A 2 -4.063 19.833 11.697 1.00 0.00 O ATOM 17 CB PRO A 2 -6.802 18.886 13.637 1.00 0.00 C ATOM 18 CG PRO A 2 -6.654 17.782 14.627 1.00 0.00 C ATOM 19 CD PRO A 2 -6.401 16.529 13.830 1.00 0.00 C ATOM 0 HA PRO A 2 -6.269 18.821 11.495 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -6.498 19.842 14.063 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -7.839 18.994 13.318 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -5.829 17.981 15.311 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -7.554 17.681 15.234 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -5.702 15.865 14.339 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -7.319 15.964 13.670 1.00 0.00 H new ATOM 27 N ASP A 3 -3.875 18.913 13.741 1.00 0.00 N ATOM 28 CA ASP A 3 -2.554 19.482 13.991 1.00 0.00 C ATOM 29 C ASP A 3 -1.456 18.457 13.729 1.00 0.00 C ATOM 30 O ASP A 3 -0.676 18.596 12.786 1.00 0.00 O ATOM 31 CB ASP A 3 -2.454 19.994 15.430 1.00 0.00 C ATOM 32 CG ASP A 3 -3.549 19.441 16.320 1.00 0.00 C ATOM 33 OD1 ASP A 3 -3.774 18.213 16.291 1.00 0.00 O ATOM 34 OD2 ASP A 3 -4.185 20.237 17.044 1.00 0.00 O ATOM 0 H ASP A 3 -4.240 18.341 14.503 1.00 0.00 H new ATOM 0 HA ASP A 3 -2.417 20.318 13.305 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.483 19.721 15.843 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.506 21.083 15.429 1.00 0.00 H new ATOM 39 N VAL A 4 -1.400 17.427 14.568 1.00 0.00 N ATOM 40 CA VAL A 4 -0.395 16.381 14.425 1.00 0.00 C ATOM 41 C VAL A 4 -0.658 15.534 13.185 1.00 0.00 C ATOM 42 O VAL A 4 -1.758 15.015 12.997 1.00 0.00 O ATOM 43 CB VAL A 4 -0.356 15.461 15.659 1.00 0.00 C ATOM 44 CG1 VAL A 4 0.702 14.382 15.487 1.00 0.00 C ATOM 45 CG2 VAL A 4 -0.100 16.272 16.920 1.00 0.00 C ATOM 0 H VAL A 4 -2.038 17.295 15.353 1.00 0.00 H new ATOM 0 HA VAL A 4 0.568 16.882 14.326 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.326 14.974 15.758 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.715 13.741 16.369 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.471 13.783 14.606 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.680 14.848 15.362 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.076 15.606 17.782 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.856 16.788 16.833 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.897 17.004 17.050 1.00 0.00 H new ATOM 55 N GLN A 5 0.361 15.399 12.343 1.00 0.00 N ATOM 56 CA GLN A 5 0.241 14.615 11.119 1.00 0.00 C ATOM 57 C GLN A 5 1.512 13.814 10.858 1.00 0.00 C ATOM 58 O GLN A 5 2.409 14.268 10.149 1.00 0.00 O ATOM 59 CB GLN A 5 -0.049 15.529 9.927 1.00 0.00 C ATOM 60 CG GLN A 5 -1.515 15.896 9.784 1.00 0.00 C ATOM 61 CD GLN A 5 -1.753 16.925 8.698 1.00 0.00 C ATOM 62 OE1 GLN A 5 -0.854 17.243 7.920 1.00 0.00 O ATOM 63 NE2 GLN A 5 -2.970 17.453 8.639 1.00 0.00 N ATOM 0 H GLN A 5 1.278 15.822 12.485 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.588 13.919 11.246 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.537 16.442 10.029 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.284 15.037 9.013 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.091 14.998 9.561 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.883 16.283 10.734 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.686 17.160 9.304 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.189 18.151 7.928 1.00 0.00 H new ATOM 72 N ASP A 6 1.580 12.620 11.434 1.00 0.00 N ATOM 73 CA ASP A 6 2.740 11.756 11.260 1.00 0.00 C ATOM 74 C ASP A 6 2.610 10.925 9.987 1.00 0.00 C ATOM 75 O ASP A 6 1.503 10.633 9.537 1.00 0.00 O ATOM 76 CB ASP A 6 2.901 10.838 12.471 1.00 0.00 C ATOM 77 CG ASP A 6 3.370 11.586 13.704 1.00 0.00 C ATOM 78 OD1 ASP A 6 2.557 12.332 14.290 1.00 0.00 O ATOM 79 OD2 ASP A 6 4.548 11.425 14.084 1.00 0.00 O ATOM 0 H ASP A 6 0.846 12.229 12.025 1.00 0.00 H new ATOM 0 HA ASP A 6 3.625 12.386 11.172 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.949 10.352 12.684 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.615 10.050 12.234 1.00 0.00 H new ATOM 84 N CYS A 7 3.749 10.550 9.412 1.00 0.00 N ATOM 85 CA CYS A 7 3.766 9.754 8.188 1.00 0.00 C ATOM 86 C CYS A 7 3.627 10.641 6.956 1.00 0.00 C ATOM 87 O CYS A 7 2.768 11.522 6.904 1.00 0.00 O ATOM 88 CB CYS A 7 2.638 8.720 8.202 1.00 0.00 C ATOM 89 SG CYS A 7 2.534 7.741 9.735 1.00 0.00 S ATOM 0 H CYS A 7 4.673 10.785 9.774 1.00 0.00 H new ATOM 0 HA CYS A 7 4.725 9.239 8.143 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.689 9.233 8.048 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.773 8.041 7.360 1.00 0.00 H new ATOM 94 N PRO A 8 4.473 10.413 5.941 1.00 0.00 N ATOM 95 CA PRO A 8 4.447 11.183 4.696 1.00 0.00 C ATOM 96 C PRO A 8 3.343 10.714 3.751 1.00 0.00 C ATOM 97 O PRO A 8 3.481 10.795 2.530 1.00 0.00 O ATOM 98 CB PRO A 8 5.823 10.900 4.098 1.00 0.00 C ATOM 99 CG PRO A 8 6.148 9.521 4.561 1.00 0.00 C ATOM 100 CD PRO A 8 5.524 9.378 5.926 1.00 0.00 C ATOM 0 HA PRO A 8 4.243 12.241 4.862 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.804 10.960 3.010 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.563 11.621 4.444 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.752 8.775 3.872 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.226 9.370 4.608 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.107 8.382 6.073 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.255 9.538 6.719 1.00 0.00 H new ATOM 108 N GLU A 9 2.249 10.220 4.326 1.00 0.00 N ATOM 109 CA GLU A 9 1.120 9.735 3.541 1.00 0.00 C ATOM 110 C GLU A 9 1.496 8.472 2.774 1.00 0.00 C ATOM 111 O GLU A 9 2.446 8.468 1.992 1.00 0.00 O ATOM 112 CB GLU A 9 0.639 10.813 2.569 1.00 0.00 C ATOM 113 CG GLU A 9 -0.871 10.845 2.394 1.00 0.00 C ATOM 114 CD GLU A 9 -1.289 11.259 0.997 1.00 0.00 C ATOM 115 OE1 GLU A 9 -0.447 11.181 0.078 1.00 0.00 O ATOM 116 OE2 GLU A 9 -2.459 11.661 0.821 1.00 0.00 O ATOM 0 H GLU A 9 2.122 10.146 5.335 1.00 0.00 H new ATOM 0 HA GLU A 9 0.310 9.495 4.230 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.976 11.787 2.924 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.106 10.649 1.598 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -1.279 9.858 2.614 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.302 11.537 3.118 1.00 0.00 H new ATOM 123 N CYS A 10 0.742 7.403 3.002 1.00 0.00 N ATOM 124 CA CYS A 10 0.991 6.132 2.332 1.00 0.00 C ATOM 125 C CYS A 10 1.203 6.343 0.837 1.00 0.00 C ATOM 126 O CYS A 10 0.360 6.934 0.162 1.00 0.00 O ATOM 127 CB CYS A 10 -0.185 5.182 2.561 1.00 0.00 C ATOM 128 SG CYS A 10 0.286 3.427 2.681 1.00 0.00 S ATOM 0 H CYS A 10 -0.048 7.391 3.647 1.00 0.00 H new ATOM 0 HA CYS A 10 1.896 5.693 2.752 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.699 5.472 3.477 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.898 5.300 1.745 1.00 0.00 H new ATOM 133 N THR A 11 2.330 5.860 0.318 1.00 0.00 N ATOM 134 CA THR A 11 2.628 6.011 -1.100 1.00 0.00 C ATOM 135 C THR A 11 3.902 5.282 -1.485 1.00 0.00 C ATOM 136 O THR A 11 4.736 4.968 -0.637 1.00 0.00 O ATOM 137 CB THR A 11 2.786 7.485 -1.460 1.00 0.00 C ATOM 138 OG1 THR A 11 2.957 8.274 -0.296 1.00 0.00 O ATOM 139 CG2 THR A 11 1.616 8.046 -2.230 1.00 0.00 C ATOM 0 H THR A 11 3.044 5.366 0.854 1.00 0.00 H new ATOM 0 HA THR A 11 1.791 5.578 -1.648 1.00 0.00 H new ATOM 0 HB THR A 11 3.669 7.529 -2.097 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.057 9.215 -0.551 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.797 9.098 -2.452 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.496 7.494 -3.162 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.709 7.952 -1.633 1.00 0.00 H new ATOM 147 N LEU A 12 4.056 5.051 -2.780 1.00 0.00 N ATOM 148 CA LEU A 12 5.244 4.397 -3.300 1.00 0.00 C ATOM 149 C LEU A 12 6.393 5.380 -3.309 1.00 0.00 C ATOM 150 O LEU A 12 6.269 6.478 -3.850 1.00 0.00 O ATOM 151 CB LEU A 12 5.010 3.913 -4.721 1.00 0.00 C ATOM 152 CG LEU A 12 4.370 2.541 -4.858 1.00 0.00 C ATOM 153 CD1 LEU A 12 2.884 2.628 -4.576 1.00 0.00 C ATOM 154 CD2 LEU A 12 4.622 2.015 -6.253 1.00 0.00 C ATOM 0 H LEU A 12 3.371 5.308 -3.490 1.00 0.00 H new ATOM 0 HA LEU A 12 5.476 3.543 -2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.379 4.640 -5.232 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.967 3.900 -5.242 1.00 0.00 H new ATOM 0 HG LEU A 12 4.810 1.855 -4.134 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.436 1.639 -4.677 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.727 2.996 -3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.418 3.312 -5.286 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.166 1.031 -6.359 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.187 2.697 -6.983 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.696 1.937 -6.424 1.00 0.00 H new ATOM 166 N GLN A 13 7.511 5.000 -2.725 1.00 0.00 N ATOM 167 CA GLN A 13 8.649 5.892 -2.705 1.00 0.00 C ATOM 168 C GLN A 13 9.837 5.286 -3.408 1.00 0.00 C ATOM 169 O GLN A 13 10.878 5.020 -2.809 1.00 0.00 O ATOM 170 CB GLN A 13 9.006 6.287 -1.296 1.00 0.00 C ATOM 171 CG GLN A 13 8.173 7.451 -0.776 1.00 0.00 C ATOM 172 CD GLN A 13 7.918 7.380 0.716 1.00 0.00 C ATOM 173 OE1 GLN A 13 8.835 7.155 1.506 1.00 0.00 O ATOM 174 NE2 GLN A 13 6.663 7.573 1.108 1.00 0.00 N ATOM 0 H GLN A 13 7.654 4.100 -2.268 1.00 0.00 H new ATOM 0 HA GLN A 13 8.365 6.794 -3.248 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.871 5.428 -0.638 1.00 0.00 H new ATOM 0 HB3 GLN A 13 10.061 6.556 -1.256 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.682 8.386 -1.007 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.218 7.470 -1.301 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.935 7.757 0.417 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.427 7.538 2.100 1.00 0.00 H new ATOM 183 N GLU A 14 9.634 5.080 -4.689 1.00 0.00 N ATOM 184 CA GLU A 14 10.633 4.502 -5.580 1.00 0.00 C ATOM 185 C GLU A 14 11.911 4.169 -4.845 1.00 0.00 C ATOM 186 O GLU A 14 12.544 5.024 -4.227 1.00 0.00 O ATOM 187 CB GLU A 14 10.949 5.433 -6.743 1.00 0.00 C ATOM 188 CG GLU A 14 11.178 4.701 -8.058 1.00 0.00 C ATOM 189 CD GLU A 14 10.810 5.548 -9.261 1.00 0.00 C ATOM 190 OE1 GLU A 14 11.415 6.626 -9.435 1.00 0.00 O ATOM 191 OE2 GLU A 14 9.917 5.132 -10.029 1.00 0.00 O ATOM 0 H GLU A 14 8.757 5.311 -5.156 1.00 0.00 H new ATOM 0 HA GLU A 14 10.202 3.580 -5.971 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.128 6.139 -6.867 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.837 6.016 -6.501 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.225 4.407 -8.130 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.589 3.784 -8.068 1.00 0.00 H new ATOM 198 N ASN A 15 12.272 2.915 -4.929 1.00 0.00 N ATOM 199 CA ASN A 15 13.464 2.409 -4.290 1.00 0.00 C ATOM 200 C ASN A 15 14.676 3.264 -4.607 1.00 0.00 C ATOM 201 O ASN A 15 15.275 3.132 -5.674 1.00 0.00 O ATOM 202 CB ASN A 15 13.721 0.981 -4.733 1.00 0.00 C ATOM 203 CG ASN A 15 13.990 0.058 -3.568 1.00 0.00 C ATOM 204 OD1 ASN A 15 15.078 -0.503 -3.438 1.00 0.00 O ATOM 205 ND2 ASN A 15 12.993 -0.102 -2.715 1.00 0.00 N ATOM 0 H ASN A 15 11.746 2.210 -5.445 1.00 0.00 H new ATOM 0 HA ASN A 15 13.301 2.440 -3.213 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.859 0.616 -5.291 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.573 0.962 -5.413 1.00 0.00 H new ATOM 0 HD21 ASN A 15 13.107 -0.712 -1.906 1.00 0.00 H new ATOM 0 HD22 ASN A 15 12.110 0.385 -2.866 1.00 0.00 H new ATOM 212 N PRO A 16 15.089 4.124 -3.668 1.00 0.00 N ATOM 213 CA PRO A 16 16.272 4.954 -3.852 1.00 0.00 C ATOM 214 C PRO A 16 17.521 4.096 -3.722 1.00 0.00 C ATOM 215 O PRO A 16 18.621 4.588 -3.471 1.00 0.00 O ATOM 216 CB PRO A 16 16.174 5.966 -2.711 1.00 0.00 C ATOM 217 CG PRO A 16 15.414 5.257 -1.641 1.00 0.00 C ATOM 218 CD PRO A 16 14.469 4.316 -2.343 1.00 0.00 C ATOM 0 HA PRO A 16 16.328 5.435 -4.829 1.00 0.00 H new ATOM 0 HB2 PRO A 16 17.162 6.267 -2.362 1.00 0.00 H new ATOM 0 HB3 PRO A 16 15.659 6.872 -3.029 1.00 0.00 H new ATOM 0 HG2 PRO A 16 16.089 4.710 -0.983 1.00 0.00 H new ATOM 0 HG3 PRO A 16 14.866 5.965 -1.019 1.00 0.00 H new ATOM 0 HD2 PRO A 16 14.371 3.372 -1.806 1.00 0.00 H new ATOM 0 HD3 PRO A 16 13.469 4.741 -2.426 1.00 0.00 H new ATOM 226 N PHE A 17 17.311 2.791 -3.882 1.00 0.00 N ATOM 227 CA PHE A 17 18.364 1.800 -3.776 1.00 0.00 C ATOM 228 C PHE A 17 18.531 1.038 -5.083 1.00 0.00 C ATOM 229 O PHE A 17 19.613 1.009 -5.669 1.00 0.00 O ATOM 230 CB PHE A 17 18.010 0.815 -2.664 1.00 0.00 C ATOM 231 CG PHE A 17 19.192 0.081 -2.115 1.00 0.00 C ATOM 232 CD1 PHE A 17 19.942 -0.757 -2.924 1.00 0.00 C ATOM 233 CD2 PHE A 17 19.551 0.232 -0.791 1.00 0.00 C ATOM 234 CE1 PHE A 17 21.035 -1.433 -2.415 1.00 0.00 C ATOM 235 CE2 PHE A 17 20.642 -0.440 -0.273 1.00 0.00 C ATOM 236 CZ PHE A 17 21.386 -1.274 -1.087 1.00 0.00 C ATOM 0 H PHE A 17 16.395 2.395 -4.091 1.00 0.00 H new ATOM 0 HA PHE A 17 19.301 2.310 -3.551 1.00 0.00 H new ATOM 0 HB2 PHE A 17 17.520 1.355 -1.854 1.00 0.00 H new ATOM 0 HB3 PHE A 17 17.289 0.092 -3.046 1.00 0.00 H new ATOM 0 HD1 PHE A 17 19.670 -0.883 -3.962 1.00 0.00 H new ATOM 0 HD2 PHE A 17 18.973 0.883 -0.152 1.00 0.00 H new ATOM 0 HE1 PHE A 17 21.614 -2.084 -3.053 1.00 0.00 H new ATOM 0 HE2 PHE A 17 20.913 -0.314 0.765 1.00 0.00 H new ATOM 0 HZ PHE A 17 22.240 -1.800 -0.686 1.00 0.00 H new ATOM 246 N PHE A 18 17.447 0.408 -5.523 1.00 0.00 N ATOM 247 CA PHE A 18 17.460 -0.376 -6.750 1.00 0.00 C ATOM 248 C PHE A 18 17.323 0.516 -7.976 1.00 0.00 C ATOM 249 O PHE A 18 17.467 0.053 -9.108 1.00 0.00 O ATOM 250 CB PHE A 18 16.336 -1.411 -6.723 1.00 0.00 C ATOM 251 CG PHE A 18 16.111 -2.009 -5.364 1.00 0.00 C ATOM 252 CD1 PHE A 18 17.098 -1.947 -4.396 1.00 0.00 C ATOM 253 CD2 PHE A 18 14.916 -2.633 -5.055 1.00 0.00 C ATOM 254 CE1 PHE A 18 16.898 -2.497 -3.145 1.00 0.00 C ATOM 255 CE2 PHE A 18 14.708 -3.185 -3.806 1.00 0.00 C ATOM 256 CZ PHE A 18 15.701 -3.117 -2.849 1.00 0.00 C ATOM 0 H PHE A 18 16.546 0.426 -5.045 1.00 0.00 H new ATOM 0 HA PHE A 18 18.419 -0.890 -6.813 1.00 0.00 H new ATOM 0 HB2 PHE A 18 15.412 -0.943 -7.064 1.00 0.00 H new ATOM 0 HB3 PHE A 18 16.569 -2.208 -7.429 1.00 0.00 H new ATOM 0 HD1 PHE A 18 18.036 -1.462 -4.622 1.00 0.00 H new ATOM 0 HD2 PHE A 18 14.136 -2.689 -5.800 1.00 0.00 H new ATOM 0 HE1 PHE A 18 17.677 -2.442 -2.399 1.00 0.00 H new ATOM 0 HE2 PHE A 18 13.770 -3.669 -3.578 1.00 0.00 H new ATOM 0 HZ PHE A 18 15.541 -3.548 -1.872 1.00 0.00 H new ATOM 266 N SER A 19 17.049 1.797 -7.750 1.00 0.00 N ATOM 267 CA SER A 19 16.903 2.740 -8.848 1.00 0.00 C ATOM 268 C SER A 19 18.104 2.661 -9.777 1.00 0.00 C ATOM 269 O SER A 19 19.211 3.071 -9.429 1.00 0.00 O ATOM 270 CB SER A 19 16.742 4.165 -8.329 1.00 0.00 C ATOM 271 OG SER A 19 15.431 4.386 -7.839 1.00 0.00 O ATOM 0 H SER A 19 16.925 2.202 -6.822 1.00 0.00 H new ATOM 0 HA SER A 19 16.004 2.472 -9.403 1.00 0.00 H new ATOM 0 HB2 SER A 19 17.466 4.350 -7.535 1.00 0.00 H new ATOM 0 HB3 SER A 19 16.958 4.873 -9.129 1.00 0.00 H new ATOM 0 HG SER A 19 15.209 3.698 -7.177 1.00 0.00 H new ATOM 277 N GLN A 20 17.866 2.123 -10.957 1.00 0.00 N ATOM 278 CA GLN A 20 18.906 1.967 -11.963 1.00 0.00 C ATOM 279 C GLN A 20 18.369 2.354 -13.335 1.00 0.00 C ATOM 280 O GLN A 20 17.184 2.180 -13.614 1.00 0.00 O ATOM 281 CB GLN A 20 19.409 0.518 -11.975 1.00 0.00 C ATOM 282 CG GLN A 20 20.061 0.095 -13.283 1.00 0.00 C ATOM 283 CD GLN A 20 19.579 -1.258 -13.768 1.00 0.00 C ATOM 284 OE1 GLN A 20 18.800 -1.348 -14.717 1.00 0.00 O ATOM 285 NE2 GLN A 20 20.041 -2.321 -13.119 1.00 0.00 N ATOM 0 H GLN A 20 16.950 1.782 -11.248 1.00 0.00 H new ATOM 0 HA GLN A 20 19.740 2.625 -11.718 1.00 0.00 H new ATOM 0 HB2 GLN A 20 20.127 0.388 -11.165 1.00 0.00 H new ATOM 0 HB3 GLN A 20 18.571 -0.147 -11.768 1.00 0.00 H new ATOM 0 HG2 GLN A 20 19.853 0.845 -14.046 1.00 0.00 H new ATOM 0 HG3 GLN A 20 21.143 0.065 -13.152 1.00 0.00 H new ATOM 0 HE21 GLN A 20 20.685 -2.201 -12.337 1.00 0.00 H new ATOM 0 HE22 GLN A 20 19.751 -3.257 -13.402 1.00 0.00 H new ATOM 294 N PRO A 21 19.233 2.887 -14.210 1.00 0.00 N ATOM 295 CA PRO A 21 18.833 3.296 -15.557 1.00 0.00 C ATOM 296 C PRO A 21 18.002 2.223 -16.250 1.00 0.00 C ATOM 297 O PRO A 21 18.516 1.447 -17.056 1.00 0.00 O ATOM 298 CB PRO A 21 20.166 3.496 -16.273 1.00 0.00 C ATOM 299 CG PRO A 21 21.121 3.866 -15.190 1.00 0.00 C ATOM 300 CD PRO A 21 20.665 3.128 -13.958 1.00 0.00 C ATOM 0 HA PRO A 21 18.205 4.187 -15.553 1.00 0.00 H new ATOM 0 HB2 PRO A 21 20.481 2.587 -16.786 1.00 0.00 H new ATOM 0 HB3 PRO A 21 20.098 4.280 -17.027 1.00 0.00 H new ATOM 0 HG2 PRO A 21 22.140 3.586 -15.457 1.00 0.00 H new ATOM 0 HG3 PRO A 21 21.120 4.943 -15.021 1.00 0.00 H new ATOM 0 HD2 PRO A 21 21.211 2.194 -13.824 1.00 0.00 H new ATOM 0 HD3 PRO A 21 20.820 3.720 -13.056 1.00 0.00 H new ATOM 308 N GLY A 22 16.717 2.181 -15.919 1.00 0.00 N ATOM 309 CA GLY A 22 15.828 1.197 -16.505 1.00 0.00 C ATOM 310 C GLY A 22 15.075 0.406 -15.453 1.00 0.00 C ATOM 311 O GLY A 22 14.304 -0.496 -15.780 1.00 0.00 O ATOM 0 H GLY A 22 16.274 2.814 -15.253 1.00 0.00 H new ATOM 0 HA2 GLY A 22 15.115 1.698 -17.160 1.00 0.00 H new ATOM 0 HA3 GLY A 22 16.405 0.513 -17.127 1.00 0.00 H new ATOM 315 N ALA A 23 15.299 0.744 -14.185 1.00 0.00 N ATOM 316 CA ALA A 23 14.632 0.054 -13.088 1.00 0.00 C ATOM 317 C ALA A 23 14.660 0.874 -11.815 1.00 0.00 C ATOM 318 O ALA A 23 15.655 0.922 -11.092 1.00 0.00 O ATOM 319 CB ALA A 23 15.255 -1.315 -12.870 1.00 0.00 C ATOM 0 H ALA A 23 15.934 1.488 -13.895 1.00 0.00 H new ATOM 0 HA ALA A 23 13.585 -0.081 -13.361 1.00 0.00 H new ATOM 0 HB1 ALA A 23 14.747 -1.819 -12.048 1.00 0.00 H new ATOM 0 HB2 ALA A 23 15.154 -1.910 -13.778 1.00 0.00 H new ATOM 0 HB3 ALA A 23 16.311 -1.200 -12.628 1.00 0.00 H new ATOM 325 N PRO A 24 13.546 1.554 -11.565 1.00 0.00 N ATOM 326 CA PRO A 24 13.337 2.429 -10.438 1.00 0.00 C ATOM 327 C PRO A 24 12.379 1.847 -9.414 1.00 0.00 C ATOM 328 O PRO A 24 11.263 2.333 -9.239 1.00 0.00 O ATOM 329 CB PRO A 24 12.706 3.615 -11.153 1.00 0.00 C ATOM 330 CG PRO A 24 11.931 3.010 -12.299 1.00 0.00 C ATOM 331 CD PRO A 24 12.364 1.572 -12.411 1.00 0.00 C ATOM 0 HA PRO A 24 14.238 2.640 -9.861 1.00 0.00 H new ATOM 0 HB2 PRO A 24 12.051 4.176 -10.486 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.465 4.309 -11.513 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.858 3.077 -12.117 1.00 0.00 H new ATOM 0 HG3 PRO A 24 12.131 3.547 -13.226 1.00 0.00 H new ATOM 0 HD2 PRO A 24 11.596 0.884 -12.056 1.00 0.00 H new ATOM 0 HD3 PRO A 24 12.592 1.292 -13.439 1.00 0.00 H new ATOM 339 N ILE A 25 12.829 0.799 -8.756 1.00 0.00 N ATOM 340 CA ILE A 25 12.059 0.111 -7.756 1.00 0.00 C ATOM 341 C ILE A 25 11.285 1.037 -6.831 1.00 0.00 C ATOM 342 O ILE A 25 11.292 2.253 -7.005 1.00 0.00 O ATOM 343 CB ILE A 25 12.987 -0.796 -6.968 1.00 0.00 C ATOM 344 CG1 ILE A 25 13.494 -1.853 -7.919 1.00 0.00 C ATOM 345 CG2 ILE A 25 12.231 -1.433 -5.825 1.00 0.00 C ATOM 346 CD1 ILE A 25 12.364 -2.444 -8.721 1.00 0.00 C ATOM 0 H ILE A 25 13.755 0.400 -8.908 1.00 0.00 H new ATOM 0 HA ILE A 25 11.297 -0.474 -8.271 1.00 0.00 H new ATOM 0 HB ILE A 25 13.820 -0.233 -6.546 1.00 0.00 H new ATOM 0 HG12 ILE A 25 14.233 -1.418 -8.591 1.00 0.00 H new ATOM 0 HG13 ILE A 25 13.998 -2.640 -7.358 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.901 -2.083 -5.263 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.843 -0.655 -5.167 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.402 -2.021 -6.220 1.00 0.00 H new ATOM 0 HD11 ILE A 25 12.756 -3.203 -9.398 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.639 -2.900 -8.047 1.00 0.00 H new ATOM 0 HD13 ILE A 25 11.878 -1.658 -9.299 1.00 0.00 H new ATOM 358 N LEU A 26 10.548 0.438 -5.892 1.00 0.00 N ATOM 359 CA LEU A 26 9.684 1.183 -4.993 1.00 0.00 C ATOM 360 C LEU A 26 9.573 0.589 -3.615 1.00 0.00 C ATOM 361 O LEU A 26 10.394 -0.211 -3.171 1.00 0.00 O ATOM 362 CB LEU A 26 8.316 1.175 -5.617 1.00 0.00 C ATOM 363 CG LEU A 26 8.339 0.638 -7.027 1.00 0.00 C ATOM 364 CD1 LEU A 26 6.960 0.229 -7.476 1.00 0.00 C ATOM 365 CD2 LEU A 26 8.933 1.655 -7.985 1.00 0.00 C ATOM 0 H LEU A 26 10.538 -0.571 -5.740 1.00 0.00 H new ATOM 0 HA LEU A 26 10.108 2.179 -4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.644 0.569 -5.009 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.914 2.188 -5.622 1.00 0.00 H new ATOM 0 HG LEU A 26 8.973 -0.249 -7.033 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.008 -0.154 -8.495 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.577 -0.548 -6.814 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.296 1.093 -7.444 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.938 1.244 -8.995 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.334 2.565 -7.967 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.954 1.887 -7.682 1.00 0.00 H new ATOM 377 N GLN A 27 8.515 1.017 -2.960 1.00 0.00 N ATOM 378 CA GLN A 27 8.197 0.572 -1.613 1.00 0.00 C ATOM 379 C GLN A 27 7.224 1.539 -0.952 1.00 0.00 C ATOM 380 O GLN A 27 7.626 2.539 -0.357 1.00 0.00 O ATOM 381 CB GLN A 27 9.474 0.432 -0.786 1.00 0.00 C ATOM 382 CG GLN A 27 9.277 0.682 0.701 1.00 0.00 C ATOM 383 CD GLN A 27 10.483 0.276 1.526 1.00 0.00 C ATOM 384 OE1 GLN A 27 11.096 -0.763 1.281 1.00 0.00 O ATOM 385 NE2 GLN A 27 10.829 1.096 2.512 1.00 0.00 N ATOM 0 H GLN A 27 7.847 1.685 -3.345 1.00 0.00 H new ATOM 0 HA GLN A 27 7.719 -0.406 -1.669 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.877 -0.571 -0.925 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.219 1.131 -1.166 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.070 1.740 0.863 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.403 0.129 1.046 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.292 1.947 2.680 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.631 0.875 3.102 1.00 0.00 H new ATOM 394 N CYS A 28 5.939 1.233 -1.074 1.00 0.00 N ATOM 395 CA CYS A 28 4.896 2.072 -0.505 1.00 0.00 C ATOM 396 C CYS A 28 5.246 2.455 0.927 1.00 0.00 C ATOM 397 O CYS A 28 5.074 1.658 1.850 1.00 0.00 O ATOM 398 CB CYS A 28 3.540 1.364 -0.534 1.00 0.00 C ATOM 399 SG CYS A 28 2.383 2.070 -1.751 1.00 0.00 S ATOM 0 H CYS A 28 5.595 0.407 -1.564 1.00 0.00 H new ATOM 0 HA CYS A 28 4.827 2.975 -1.112 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.694 0.309 -0.759 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.090 1.416 0.457 1.00 0.00 H new ATOM 404 N MET A 29 5.744 3.671 1.111 1.00 0.00 N ATOM 405 CA MET A 29 6.122 4.140 2.440 1.00 0.00 C ATOM 406 C MET A 29 5.189 5.247 2.915 1.00 0.00 C ATOM 407 O MET A 29 4.864 6.168 2.166 1.00 0.00 O ATOM 408 CB MET A 29 7.569 4.631 2.440 1.00 0.00 C ATOM 409 CG MET A 29 8.016 5.209 3.773 1.00 0.00 C ATOM 410 SD MET A 29 9.809 5.351 3.903 1.00 0.00 S ATOM 411 CE MET A 29 10.090 4.651 5.527 1.00 0.00 C ATOM 0 H MET A 29 5.895 4.347 0.363 1.00 0.00 H new ATOM 0 HA MET A 29 6.035 3.302 3.131 1.00 0.00 H new ATOM 0 HB2 MET A 29 8.225 3.802 2.175 1.00 0.00 H new ATOM 0 HB3 MET A 29 7.686 5.390 1.667 1.00 0.00 H new ATOM 0 HG2 MET A 29 7.567 6.193 3.907 1.00 0.00 H new ATOM 0 HG3 MET A 29 7.646 4.577 4.581 1.00 0.00 H new ATOM 0 HE1 MET A 29 11.156 4.669 5.751 1.00 0.00 H new ATOM 0 HE2 MET A 29 9.552 5.236 6.273 1.00 0.00 H new ATOM 0 HE3 MET A 29 9.733 3.621 5.546 1.00 0.00 H new ATOM 421 N GLY A 30 4.759 5.146 4.168 1.00 0.00 N ATOM 422 CA GLY A 30 3.863 6.140 4.727 1.00 0.00 C ATOM 423 C GLY A 30 2.803 5.522 5.615 1.00 0.00 C ATOM 424 O GLY A 30 3.007 4.449 6.183 1.00 0.00 O ATOM 0 H GLY A 30 5.015 4.393 4.806 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.440 6.863 5.303 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.381 6.688 3.917 1.00 0.00 H new ATOM 428 N CYS A 31 1.667 6.200 5.735 1.00 0.00 N ATOM 429 CA CYS A 31 0.569 5.711 6.559 1.00 0.00 C ATOM 430 C CYS A 31 -0.753 5.789 5.799 1.00 0.00 C ATOM 431 O CYS A 31 -1.088 6.826 5.227 1.00 0.00 O ATOM 432 CB CYS A 31 0.479 6.518 7.856 1.00 0.00 C ATOM 433 SG CYS A 31 1.669 6.002 9.138 1.00 0.00 S ATOM 0 H CYS A 31 1.483 7.090 5.272 1.00 0.00 H new ATOM 0 HA CYS A 31 0.764 4.667 6.805 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.641 7.571 7.628 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.531 6.430 8.257 1.00 0.00 H new ATOM 438 N CYS A 32 -1.492 4.682 5.797 1.00 0.00 N ATOM 439 CA CYS A 32 -2.780 4.605 5.107 1.00 0.00 C ATOM 440 C CYS A 32 -3.388 5.989 4.897 1.00 0.00 C ATOM 441 O CYS A 32 -3.796 6.333 3.788 1.00 0.00 O ATOM 442 CB CYS A 32 -3.751 3.726 5.896 1.00 0.00 C ATOM 443 SG CYS A 32 -5.494 3.913 5.395 1.00 0.00 S ATOM 0 H CYS A 32 -1.219 3.820 6.269 1.00 0.00 H new ATOM 0 HA CYS A 32 -2.603 4.162 4.127 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.459 2.683 5.777 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -3.661 3.963 6.956 1.00 0.00 H new ATOM 448 N PHE A 33 -3.448 6.778 5.967 1.00 0.00 N ATOM 449 CA PHE A 33 -4.006 8.124 5.893 1.00 0.00 C ATOM 450 C PHE A 33 -3.716 8.752 4.531 1.00 0.00 C ATOM 451 O PHE A 33 -2.560 8.887 4.133 1.00 0.00 O ATOM 452 CB PHE A 33 -3.437 8.993 7.021 1.00 0.00 C ATOM 453 CG PHE A 33 -2.954 10.344 6.571 1.00 0.00 C ATOM 454 CD1 PHE A 33 -1.738 10.477 5.920 1.00 0.00 C ATOM 455 CD2 PHE A 33 -3.714 11.479 6.803 1.00 0.00 C ATOM 456 CE1 PHE A 33 -1.289 11.717 5.507 1.00 0.00 C ATOM 457 CE2 PHE A 33 -3.270 12.722 6.393 1.00 0.00 C ATOM 458 CZ PHE A 33 -2.056 12.841 5.744 1.00 0.00 C ATOM 0 H PHE A 33 -3.118 6.508 6.894 1.00 0.00 H new ATOM 0 HA PHE A 33 -5.087 8.061 6.014 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.204 9.129 7.783 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.610 8.462 7.492 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.134 9.601 5.733 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.664 11.391 7.310 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.340 11.807 5.000 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.871 13.599 6.580 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.707 13.811 5.423 1.00 0.00 H new ATOM 468 N SER A 34 -4.773 9.129 3.819 1.00 0.00 N ATOM 469 CA SER A 34 -4.627 9.736 2.501 1.00 0.00 C ATOM 470 C SER A 34 -5.671 10.825 2.283 1.00 0.00 C ATOM 471 O SER A 34 -5.901 11.265 1.157 1.00 0.00 O ATOM 472 CB SER A 34 -4.749 8.668 1.411 1.00 0.00 C ATOM 473 OG SER A 34 -4.517 9.218 0.127 1.00 0.00 O ATOM 0 H SER A 34 -5.738 9.025 4.132 1.00 0.00 H new ATOM 0 HA SER A 34 -3.639 10.192 2.445 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.034 7.867 1.601 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.743 8.222 1.444 1.00 0.00 H new ATOM 0 HG SER A 34 -4.912 10.114 0.079 1.00 0.00 H new ATOM 479 N ARG A 35 -6.301 11.255 3.371 1.00 0.00 N ATOM 480 CA ARG A 35 -7.324 12.292 3.305 1.00 0.00 C ATOM 481 C ARG A 35 -8.474 11.867 2.400 1.00 0.00 C ATOM 482 O ARG A 35 -8.972 12.657 1.598 1.00 0.00 O ATOM 483 CB ARG A 35 -6.724 13.604 2.803 1.00 0.00 C ATOM 484 CG ARG A 35 -7.444 14.834 3.329 1.00 0.00 C ATOM 485 CD ARG A 35 -6.524 16.046 3.365 1.00 0.00 C ATOM 486 NE ARG A 35 -7.105 17.156 4.118 1.00 0.00 N ATOM 487 CZ ARG A 35 -6.385 18.130 4.667 1.00 0.00 C ATOM 488 NH1 ARG A 35 -5.065 18.133 4.541 1.00 0.00 N ATOM 489 NH2 ARG A 35 -6.985 19.104 5.339 1.00 0.00 N ATOM 0 H ARG A 35 -6.121 10.901 4.310 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.714 12.443 4.312 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -5.675 13.652 3.097 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.750 13.614 1.713 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.307 15.049 2.699 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.824 14.634 4.331 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.571 15.764 3.813 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.313 16.371 2.346 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.119 17.185 4.228 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.600 17.388 4.022 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.514 18.881 4.963 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.000 19.107 5.435 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.431 19.850 5.759 1.00 0.00 H new ATOM 503 N ALA A 36 -8.892 10.615 2.537 1.00 0.00 N ATOM 504 CA ALA A 36 -9.988 10.084 1.735 1.00 0.00 C ATOM 505 C ALA A 36 -11.325 10.631 2.220 1.00 0.00 C ATOM 506 O ALA A 36 -11.424 11.154 3.329 1.00 0.00 O ATOM 507 CB ALA A 36 -9.990 8.563 1.780 1.00 0.00 C ATOM 0 H ALA A 36 -8.489 9.948 3.195 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.842 10.402 0.703 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.814 8.182 1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.047 8.186 1.385 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.111 8.230 2.811 1.00 0.00 H new ATOM 513 N TYR A 37 -12.351 10.508 1.384 1.00 0.00 N ATOM 514 CA TYR A 37 -13.682 10.993 1.734 1.00 0.00 C ATOM 515 C TYR A 37 -14.670 10.742 0.600 1.00 0.00 C ATOM 516 O TYR A 37 -15.778 10.256 0.825 1.00 0.00 O ATOM 517 CB TYR A 37 -13.636 12.490 2.057 1.00 0.00 C ATOM 518 CG TYR A 37 -13.333 12.804 3.507 1.00 0.00 C ATOM 519 CD1 TYR A 37 -13.600 11.884 4.515 1.00 0.00 C ATOM 520 CD2 TYR A 37 -12.776 14.025 3.865 1.00 0.00 C ATOM 521 CE1 TYR A 37 -13.323 12.176 5.838 1.00 0.00 C ATOM 522 CE2 TYR A 37 -12.496 14.322 5.184 1.00 0.00 C ATOM 523 CZ TYR A 37 -12.770 13.394 6.166 1.00 0.00 C ATOM 524 OH TYR A 37 -12.494 13.688 7.481 1.00 0.00 O ATOM 0 H TYR A 37 -12.287 10.078 0.461 1.00 0.00 H new ATOM 0 HA TYR A 37 -14.017 10.446 2.615 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -12.880 12.962 1.429 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.595 12.937 1.793 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -14.030 10.927 4.261 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -12.558 14.754 3.099 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -13.539 11.453 6.610 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -12.064 15.277 5.445 1.00 0.00 H new ATOM 0 HH TYR A 37 -12.106 14.586 7.541 1.00 0.00 H new ATOM 534 N PRO A 38 -14.278 11.080 -0.637 1.00 0.00 N ATOM 535 CA PRO A 38 -15.122 10.903 -1.820 1.00 0.00 C ATOM 536 C PRO A 38 -15.248 9.441 -2.230 1.00 0.00 C ATOM 537 O PRO A 38 -14.292 8.841 -2.721 1.00 0.00 O ATOM 538 CB PRO A 38 -14.398 11.700 -2.916 1.00 0.00 C ATOM 539 CG PRO A 38 -13.306 12.450 -2.224 1.00 0.00 C ATOM 540 CD PRO A 38 -12.983 11.671 -0.984 1.00 0.00 C ATOM 0 HA PRO A 38 -16.142 11.241 -1.636 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.993 11.035 -3.679 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -15.083 12.383 -3.419 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.430 12.541 -2.866 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.626 13.462 -1.976 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.225 10.909 -1.169 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -12.603 12.312 -0.189 1.00 0.00 H new ATOM 548 N THR A 39 -16.438 8.881 -2.030 1.00 0.00 N ATOM 549 CA THR A 39 -16.715 7.486 -2.378 1.00 0.00 C ATOM 550 C THR A 39 -15.428 6.704 -2.631 1.00 0.00 C ATOM 551 O THR A 39 -15.188 6.224 -3.739 1.00 0.00 O ATOM 552 CB THR A 39 -17.610 7.423 -3.616 1.00 0.00 C ATOM 553 OG1 THR A 39 -17.850 8.721 -4.127 1.00 0.00 O ATOM 554 CG2 THR A 39 -18.954 6.778 -3.355 1.00 0.00 C ATOM 0 H THR A 39 -17.233 9.375 -1.625 1.00 0.00 H new ATOM 0 HA THR A 39 -17.227 7.028 -1.532 1.00 0.00 H new ATOM 0 HB THR A 39 -17.065 6.809 -4.333 1.00 0.00 H new ATOM 0 HG1 THR A 39 -18.423 8.660 -4.920 1.00 0.00 H new ATOM 0 HG21 THR A 39 -19.537 6.767 -4.276 1.00 0.00 H new ATOM 0 HG22 THR A 39 -18.806 5.756 -3.007 1.00 0.00 H new ATOM 0 HG23 THR A 39 -19.489 7.346 -2.594 1.00 0.00 H new ATOM 562 N PRO A 40 -14.578 6.575 -1.601 1.00 0.00 N ATOM 563 CA PRO A 40 -13.310 5.863 -1.701 1.00 0.00 C ATOM 564 C PRO A 40 -13.435 4.382 -1.357 1.00 0.00 C ATOM 565 O PRO A 40 -14.230 3.996 -0.499 1.00 0.00 O ATOM 566 CB PRO A 40 -12.457 6.581 -0.661 1.00 0.00 C ATOM 567 CG PRO A 40 -13.422 7.002 0.401 1.00 0.00 C ATOM 568 CD PRO A 40 -14.781 7.127 -0.252 1.00 0.00 C ATOM 0 HA PRO A 40 -12.904 5.875 -2.712 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -11.688 5.923 -0.258 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -11.946 7.441 -1.094 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -13.449 6.270 1.208 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -13.118 7.951 0.842 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -15.541 6.571 0.297 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.112 8.165 -0.291 1.00 0.00 H new ATOM 576 N LEU A 41 -12.639 3.558 -2.030 1.00 0.00 N ATOM 577 CA LEU A 41 -12.651 2.120 -1.793 1.00 0.00 C ATOM 578 C LEU A 41 -14.079 1.591 -1.696 1.00 0.00 C ATOM 579 O LEU A 41 -15.032 2.271 -2.077 1.00 0.00 O ATOM 580 CB LEU A 41 -11.884 1.793 -0.511 1.00 0.00 C ATOM 581 CG LEU A 41 -10.978 2.914 0.002 1.00 0.00 C ATOM 582 CD1 LEU A 41 -10.672 2.722 1.479 1.00 0.00 C ATOM 583 CD2 LEU A 41 -9.693 2.970 -0.808 1.00 0.00 C ATOM 0 H LEU A 41 -11.977 3.862 -2.744 1.00 0.00 H new ATOM 0 HA LEU A 41 -12.164 1.633 -2.638 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -12.601 1.540 0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.276 0.905 -0.685 1.00 0.00 H new ATOM 0 HG LEU A 41 -11.502 3.862 -0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.026 3.529 1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -11.602 2.732 2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.168 1.767 1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.060 3.773 -0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.166 2.020 -0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.931 3.158 -1.855 1.00 0.00 H new ATOM 595 N ARG A 42 -14.218 0.373 -1.182 1.00 0.00 N ATOM 596 CA ARG A 42 -15.527 -0.250 -1.032 1.00 0.00 C ATOM 597 C ARG A 42 -16.363 -0.071 -2.295 1.00 0.00 C ATOM 598 O ARG A 42 -17.312 0.713 -2.317 1.00 0.00 O ATOM 599 CB ARG A 42 -16.263 0.342 0.173 1.00 0.00 C ATOM 600 CG ARG A 42 -15.623 -0.008 1.506 1.00 0.00 C ATOM 601 CD ARG A 42 -15.750 1.132 2.504 1.00 0.00 C ATOM 602 NE ARG A 42 -17.145 1.440 2.812 1.00 0.00 N ATOM 603 CZ ARG A 42 -17.775 1.011 3.903 1.00 0.00 C ATOM 604 NH1 ARG A 42 -17.147 0.240 4.780 1.00 0.00 N ATOM 605 NH2 ARG A 42 -19.039 1.350 4.114 1.00 0.00 N ATOM 0 H ARG A 42 -13.439 -0.202 -0.862 1.00 0.00 H new ATOM 0 HA ARG A 42 -15.377 -1.317 -0.867 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.299 1.427 0.070 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -17.294 -0.013 0.169 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -16.094 -0.903 1.913 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.570 -0.244 1.354 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -15.226 0.869 3.423 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -15.263 2.021 2.102 1.00 0.00 H new ATOM 0 HE ARG A 42 -17.666 2.017 2.152 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -16.176 -0.027 4.620 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -17.635 -0.086 5.614 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -19.528 1.939 3.440 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -19.522 1.022 4.950 1.00 0.00 H new ATOM 619 N SER A 43 -16.005 -0.802 -3.346 1.00 0.00 N ATOM 620 CA SER A 43 -16.724 -0.722 -4.611 1.00 0.00 C ATOM 621 C SER A 43 -17.960 -1.614 -4.591 1.00 0.00 C ATOM 622 O SER A 43 -18.300 -2.199 -3.563 1.00 0.00 O ATOM 623 CB SER A 43 -15.810 -1.122 -5.771 1.00 0.00 C ATOM 624 OG SER A 43 -15.094 -2.308 -5.473 1.00 0.00 O ATOM 0 H SER A 43 -15.222 -1.456 -3.346 1.00 0.00 H new ATOM 0 HA SER A 43 -17.045 0.310 -4.752 1.00 0.00 H new ATOM 0 HB2 SER A 43 -16.405 -1.270 -6.672 1.00 0.00 H new ATOM 0 HB3 SER A 43 -15.109 -0.314 -5.981 1.00 0.00 H new ATOM 0 HG SER A 43 -14.175 -2.228 -5.805 1.00 0.00 H new ATOM 630 N LYS A 44 -18.631 -1.711 -5.734 1.00 0.00 N ATOM 631 CA LYS A 44 -19.832 -2.528 -5.848 1.00 0.00 C ATOM 632 C LYS A 44 -19.799 -3.368 -7.120 1.00 0.00 C ATOM 633 O LYS A 44 -20.837 -3.644 -7.721 1.00 0.00 O ATOM 634 CB LYS A 44 -21.078 -1.641 -5.844 1.00 0.00 C ATOM 635 CG LYS A 44 -20.853 -0.271 -5.222 1.00 0.00 C ATOM 636 CD LYS A 44 -21.695 -0.084 -3.971 1.00 0.00 C ATOM 637 CE LYS A 44 -22.511 1.196 -4.038 1.00 0.00 C ATOM 638 NZ LYS A 44 -23.470 1.303 -2.905 1.00 0.00 N ATOM 0 H LYS A 44 -18.363 -1.233 -6.594 1.00 0.00 H new ATOM 0 HA LYS A 44 -19.868 -3.199 -4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -21.424 -1.512 -6.869 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -21.874 -2.150 -5.301 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -19.798 -0.151 -4.974 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -21.100 0.504 -5.947 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -22.363 -0.937 -3.849 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -21.047 -0.059 -3.095 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -21.840 2.055 -4.028 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -23.058 1.229 -4.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -24.007 2.190 -2.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -24.127 0.497 -2.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -22.947 1.297 -2.006 1.00 0.00 H new ATOM 652 N LYS A 45 -18.599 -3.770 -7.526 1.00 0.00 N ATOM 653 CA LYS A 45 -18.431 -4.577 -8.728 1.00 0.00 C ATOM 654 C LYS A 45 -16.971 -4.977 -8.916 1.00 0.00 C ATOM 655 O LYS A 45 -16.662 -6.145 -9.155 1.00 0.00 O ATOM 656 CB LYS A 45 -18.918 -3.802 -9.953 1.00 0.00 C ATOM 657 CG LYS A 45 -20.392 -4.012 -10.259 1.00 0.00 C ATOM 658 CD LYS A 45 -20.631 -4.209 -11.748 1.00 0.00 C ATOM 659 CE LYS A 45 -19.885 -3.174 -12.576 1.00 0.00 C ATOM 660 NZ LYS A 45 -19.187 -3.792 -13.737 1.00 0.00 N ATOM 0 H LYS A 45 -17.729 -3.550 -7.040 1.00 0.00 H new ATOM 0 HA LYS A 45 -19.025 -5.484 -8.615 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -18.736 -2.739 -9.796 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -18.329 -4.102 -10.820 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -20.757 -4.882 -9.713 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -20.963 -3.152 -9.909 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -20.310 -5.209 -12.039 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -21.699 -4.143 -11.958 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -20.587 -2.420 -12.933 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -19.158 -2.660 -11.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.690 -3.054 -14.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.499 -4.493 -13.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -19.883 -4.261 -14.351 1.00 0.00 H new ATOM 674 N THR A 46 -16.078 -4.000 -8.808 1.00 0.00 N ATOM 675 CA THR A 46 -14.651 -4.246 -8.968 1.00 0.00 C ATOM 676 C THR A 46 -14.178 -5.356 -8.033 1.00 0.00 C ATOM 677 O THR A 46 -13.780 -5.098 -6.897 1.00 0.00 O ATOM 678 CB THR A 46 -13.861 -2.961 -8.703 1.00 0.00 C ATOM 679 OG1 THR A 46 -13.679 -2.230 -9.903 1.00 0.00 O ATOM 680 CG2 THR A 46 -12.492 -3.206 -8.106 1.00 0.00 C ATOM 0 H THR A 46 -16.318 -3.029 -8.610 1.00 0.00 H new ATOM 0 HA THR A 46 -14.475 -4.568 -9.994 1.00 0.00 H new ATOM 0 HB THR A 46 -14.457 -2.402 -7.982 1.00 0.00 H new ATOM 0 HG1 THR A 46 -13.174 -1.412 -9.714 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.989 -2.252 -7.945 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.598 -3.726 -7.154 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.901 -3.817 -8.789 1.00 0.00 H new ATOM 688 N MET A 47 -14.219 -6.589 -8.527 1.00 0.00 N ATOM 689 CA MET A 47 -13.790 -7.747 -7.749 1.00 0.00 C ATOM 690 C MET A 47 -14.349 -7.705 -6.330 1.00 0.00 C ATOM 691 O MET A 47 -13.920 -6.898 -5.506 1.00 0.00 O ATOM 692 CB MET A 47 -12.263 -7.814 -7.702 1.00 0.00 C ATOM 693 CG MET A 47 -11.734 -9.017 -6.941 1.00 0.00 C ATOM 694 SD MET A 47 -12.199 -10.580 -7.707 1.00 0.00 S ATOM 695 CE MET A 47 -10.925 -11.662 -7.064 1.00 0.00 C ATOM 0 H MET A 47 -14.546 -6.813 -9.467 1.00 0.00 H new ATOM 0 HA MET A 47 -14.178 -8.639 -8.240 1.00 0.00 H new ATOM 0 HB2 MET A 47 -11.877 -7.840 -8.721 1.00 0.00 H new ATOM 0 HB3 MET A 47 -11.881 -6.904 -7.239 1.00 0.00 H new ATOM 0 HG2 MET A 47 -10.647 -8.955 -6.881 1.00 0.00 H new ATOM 0 HG3 MET A 47 -12.112 -8.991 -5.919 1.00 0.00 H new ATOM 0 HE1 MET A 47 -11.076 -12.671 -7.449 1.00 0.00 H new ATOM 0 HE2 MET A 47 -9.946 -11.297 -7.376 1.00 0.00 H new ATOM 0 HE3 MET A 47 -10.976 -11.678 -5.975 1.00 0.00 H new ATOM 705 N LEU A 48 -15.303 -8.587 -6.047 1.00 0.00 N ATOM 706 CA LEU A 48 -15.912 -8.653 -4.723 1.00 0.00 C ATOM 707 C LEU A 48 -16.161 -7.253 -4.169 1.00 0.00 C ATOM 708 O LEU A 48 -16.321 -6.295 -4.924 1.00 0.00 O ATOM 709 CB LEU A 48 -15.011 -9.446 -3.769 1.00 0.00 C ATOM 710 CG LEU A 48 -15.735 -10.264 -2.692 1.00 0.00 C ATOM 711 CD1 LEU A 48 -15.246 -9.868 -1.308 1.00 0.00 C ATOM 712 CD2 LEU A 48 -17.243 -10.088 -2.794 1.00 0.00 C ATOM 0 H LEU A 48 -15.670 -9.264 -6.715 1.00 0.00 H new ATOM 0 HA LEU A 48 -16.872 -9.161 -4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -14.395 -10.124 -4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -14.334 -8.749 -3.275 1.00 0.00 H new ATOM 0 HG LEU A 48 -15.506 -11.317 -2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.769 -10.457 -0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -14.174 -10.053 -1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -15.443 -8.809 -1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -17.731 -10.679 -2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -17.496 -9.036 -2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.583 -10.423 -3.774 1.00 0.00 H new ATOM 724 N VAL A 49 -16.191 -7.142 -2.846 1.00 0.00 N ATOM 725 CA VAL A 49 -16.420 -5.861 -2.192 1.00 0.00 C ATOM 726 C VAL A 49 -15.332 -5.580 -1.160 1.00 0.00 C ATOM 727 O VAL A 49 -14.234 -6.129 -1.242 1.00 0.00 O ATOM 728 CB VAL A 49 -17.798 -5.815 -1.501 1.00 0.00 C ATOM 729 CG1 VAL A 49 -18.364 -4.404 -1.526 1.00 0.00 C ATOM 730 CG2 VAL A 49 -18.765 -6.791 -2.158 1.00 0.00 C ATOM 0 H VAL A 49 -16.059 -7.925 -2.205 1.00 0.00 H new ATOM 0 HA VAL A 49 -16.393 -5.096 -2.968 1.00 0.00 H new ATOM 0 HB VAL A 49 -17.666 -6.114 -0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -19.336 -4.393 -1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -17.685 -3.730 -1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -18.477 -4.076 -2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -19.730 -6.741 -1.654 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -18.890 -6.528 -3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -18.368 -7.803 -2.082 1.00 0.00 H new ATOM 740 N GLN A 50 -15.639 -4.726 -0.191 1.00 0.00 N ATOM 741 CA GLN A 50 -14.677 -4.385 0.849 1.00 0.00 C ATOM 742 C GLN A 50 -14.491 -5.544 1.821 1.00 0.00 C ATOM 743 O GLN A 50 -15.427 -5.940 2.517 1.00 0.00 O ATOM 744 CB GLN A 50 -15.130 -3.139 1.611 1.00 0.00 C ATOM 745 CG GLN A 50 -14.105 -2.641 2.616 1.00 0.00 C ATOM 746 CD GLN A 50 -14.328 -3.207 4.004 1.00 0.00 C ATOM 747 OE1 GLN A 50 -14.724 -4.362 4.160 1.00 0.00 O ATOM 748 NE2 GLN A 50 -14.073 -2.393 5.022 1.00 0.00 N ATOM 0 H GLN A 50 -16.542 -4.259 -0.104 1.00 0.00 H new ATOM 0 HA GLN A 50 -13.722 -4.179 0.366 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -15.344 -2.344 0.897 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -16.062 -3.359 2.132 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -13.106 -2.910 2.274 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -14.144 -1.553 2.661 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.746 -1.443 4.846 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -14.204 -2.718 5.980 1.00 0.00 H new ATOM 757 N LYS A 51 -13.277 -6.081 1.864 1.00 0.00 N ATOM 758 CA LYS A 51 -12.963 -7.194 2.752 1.00 0.00 C ATOM 759 C LYS A 51 -13.043 -6.762 4.215 1.00 0.00 C ATOM 760 O LYS A 51 -12.367 -5.823 4.635 1.00 0.00 O ATOM 761 CB LYS A 51 -11.568 -7.740 2.442 1.00 0.00 C ATOM 762 CG LYS A 51 -11.392 -9.209 2.793 1.00 0.00 C ATOM 763 CD LYS A 51 -10.013 -9.478 3.373 1.00 0.00 C ATOM 764 CE LYS A 51 -9.512 -10.865 3.003 1.00 0.00 C ATOM 765 NZ LYS A 51 -8.028 -10.903 2.869 1.00 0.00 N ATOM 0 H LYS A 51 -12.493 -5.763 1.294 1.00 0.00 H new ATOM 0 HA LYS A 51 -13.699 -7.981 2.585 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.362 -7.602 1.381 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.829 -7.154 2.989 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.155 -9.507 3.512 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.539 -9.818 1.901 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.311 -8.728 3.008 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.048 -9.381 4.458 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.826 -11.579 3.764 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.969 -11.178 2.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.727 -11.866 2.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.730 -10.240 2.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.591 -10.630 3.772 1.00 0.00 H new ATOM 779 N ASN A 52 -13.877 -7.455 4.982 1.00 0.00 N ATOM 780 CA ASN A 52 -14.054 -7.150 6.400 1.00 0.00 C ATOM 781 C ASN A 52 -12.711 -6.891 7.077 1.00 0.00 C ATOM 782 O ASN A 52 -11.914 -7.810 7.268 1.00 0.00 O ATOM 783 CB ASN A 52 -14.776 -8.303 7.104 1.00 0.00 C ATOM 784 CG ASN A 52 -15.871 -8.913 6.250 1.00 0.00 C ATOM 785 OD1 ASN A 52 -17.053 -8.633 6.450 1.00 0.00 O ATOM 786 ND2 ASN A 52 -15.475 -9.755 5.299 1.00 0.00 N ATOM 0 H ASN A 52 -14.443 -8.234 4.646 1.00 0.00 H new ATOM 0 HA ASN A 52 -14.659 -6.246 6.477 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -14.052 -9.075 7.366 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.207 -7.941 8.037 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.482 -9.953 5.174 1.00 0.00 H new ATOM 791 N VAL A 53 -12.467 -5.635 7.439 1.00 0.00 N ATOM 792 CA VAL A 53 -11.221 -5.258 8.097 1.00 0.00 C ATOM 793 C VAL A 53 -11.483 -4.614 9.457 1.00 0.00 C ATOM 794 O VAL A 53 -11.729 -3.411 9.547 1.00 0.00 O ATOM 795 CB VAL A 53 -10.403 -4.282 7.231 1.00 0.00 C ATOM 796 CG1 VAL A 53 -9.752 -5.015 6.068 1.00 0.00 C ATOM 797 CG2 VAL A 53 -11.283 -3.147 6.729 1.00 0.00 C ATOM 0 H VAL A 53 -13.115 -4.862 7.288 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.651 -6.176 8.239 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.613 -3.854 7.848 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.179 -4.309 5.468 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.087 -5.789 6.452 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.523 -5.474 5.450 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.688 -2.468 6.119 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -12.096 -3.555 6.129 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -11.696 -2.604 7.579 1.00 0.00 H new ATOM 807 N THR A 54 -11.425 -5.421 10.513 1.00 0.00 N ATOM 808 CA THR A 54 -11.653 -4.929 11.869 1.00 0.00 C ATOM 809 C THR A 54 -10.910 -3.618 12.109 1.00 0.00 C ATOM 810 O THR A 54 -9.698 -3.535 11.912 1.00 0.00 O ATOM 811 CB THR A 54 -11.206 -5.973 12.893 1.00 0.00 C ATOM 812 OG1 THR A 54 -10.258 -6.858 12.323 1.00 0.00 O ATOM 813 CG2 THR A 54 -12.346 -6.808 13.437 1.00 0.00 C ATOM 0 H THR A 54 -11.222 -6.419 10.456 1.00 0.00 H new ATOM 0 HA THR A 54 -12.721 -4.746 11.985 1.00 0.00 H new ATOM 0 HB THR A 54 -10.772 -5.404 13.715 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.539 -6.341 11.903 1.00 0.00 H new ATOM 0 HG21 THR A 54 -11.958 -7.528 14.158 1.00 0.00 H new ATOM 0 HG22 THR A 54 -13.071 -6.158 13.927 1.00 0.00 H new ATOM 0 HG23 THR A 54 -12.831 -7.340 12.618 1.00 0.00 H new ATOM 821 N SER A 55 -11.646 -2.598 12.538 1.00 0.00 N ATOM 822 CA SER A 55 -11.059 -1.289 12.807 1.00 0.00 C ATOM 823 C SER A 55 -10.045 -1.367 13.945 1.00 0.00 C ATOM 824 O SER A 55 -10.378 -1.110 15.101 1.00 0.00 O ATOM 825 CB SER A 55 -12.153 -0.280 13.158 1.00 0.00 C ATOM 826 OG SER A 55 -12.827 -0.651 14.348 1.00 0.00 O ATOM 0 H SER A 55 -12.650 -2.652 12.707 1.00 0.00 H new ATOM 0 HA SER A 55 -10.542 -0.961 11.905 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.713 0.710 13.279 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.867 -0.213 12.337 1.00 0.00 H new ATOM 0 HG SER A 55 -12.171 -0.819 15.057 1.00 0.00 H new ATOM 832 N GLU A 56 -8.808 -1.722 13.611 1.00 0.00 N ATOM 833 CA GLU A 56 -7.752 -1.831 14.611 1.00 0.00 C ATOM 834 C GLU A 56 -6.382 -1.557 13.998 1.00 0.00 C ATOM 835 O GLU A 56 -5.530 -0.922 14.620 1.00 0.00 O ATOM 836 CB GLU A 56 -7.767 -3.222 15.247 1.00 0.00 C ATOM 837 CG GLU A 56 -8.204 -3.220 16.704 1.00 0.00 C ATOM 838 CD GLU A 56 -9.686 -2.948 16.869 1.00 0.00 C ATOM 839 OE1 GLU A 56 -10.497 -3.763 16.381 1.00 0.00 O ATOM 840 OE2 GLU A 56 -10.036 -1.920 17.485 1.00 0.00 O ATOM 0 H GLU A 56 -8.513 -1.938 12.659 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.940 -1.081 15.380 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.436 -3.866 14.676 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.770 -3.656 15.176 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.963 -4.184 17.153 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.637 -2.465 17.248 1.00 0.00 H new ATOM 847 N SER A 57 -6.175 -2.042 12.779 1.00 0.00 N ATOM 848 CA SER A 57 -4.906 -1.849 12.087 1.00 0.00 C ATOM 849 C SER A 57 -5.121 -1.723 10.583 1.00 0.00 C ATOM 850 O SER A 57 -5.933 -2.443 10.001 1.00 0.00 O ATOM 851 CB SER A 57 -3.961 -3.016 12.379 1.00 0.00 C ATOM 852 OG SER A 57 -2.616 -2.665 12.104 1.00 0.00 O ATOM 0 H SER A 57 -6.868 -2.571 12.250 1.00 0.00 H new ATOM 0 HA SER A 57 -4.458 -0.925 12.452 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.056 -3.312 13.424 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.246 -3.878 11.776 1.00 0.00 H new ATOM 0 HG SER A 57 -2.032 -3.427 12.300 1.00 0.00 H new ATOM 858 N THR A 58 -4.390 -0.808 9.958 1.00 0.00 N ATOM 859 CA THR A 58 -4.503 -0.594 8.521 1.00 0.00 C ATOM 860 C THR A 58 -3.139 -0.697 7.847 1.00 0.00 C ATOM 861 O THR A 58 -2.115 -0.828 8.519 1.00 0.00 O ATOM 862 CB THR A 58 -5.128 0.770 8.233 1.00 0.00 C ATOM 863 OG1 THR A 58 -4.972 1.639 9.341 1.00 0.00 O ATOM 864 CG2 THR A 58 -6.605 0.694 7.914 1.00 0.00 C ATOM 0 H THR A 58 -3.713 -0.203 10.423 1.00 0.00 H new ATOM 0 HA THR A 58 -5.148 -1.372 8.113 1.00 0.00 H new ATOM 0 HB THR A 58 -4.601 1.150 7.358 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.377 2.507 9.135 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.987 1.696 7.719 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.755 0.071 7.032 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.138 0.260 8.760 1.00 0.00 H new ATOM 872 N CYS A 59 -3.127 -0.640 6.517 1.00 0.00 N ATOM 873 CA CYS A 59 -1.881 -0.730 5.765 1.00 0.00 C ATOM 874 C CYS A 59 -2.140 -0.872 4.268 1.00 0.00 C ATOM 875 O CYS A 59 -3.098 -1.521 3.850 1.00 0.00 O ATOM 876 CB CYS A 59 -1.055 -1.915 6.265 1.00 0.00 C ATOM 877 SG CYS A 59 0.372 -2.332 5.213 1.00 0.00 S ATOM 0 H CYS A 59 -3.962 -0.532 5.942 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.326 0.195 5.924 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.698 -1.695 7.271 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.703 -2.788 6.341 1.00 0.00 H new ATOM 882 N CYS A 60 -1.273 -0.260 3.466 1.00 0.00 N ATOM 883 CA CYS A 60 -1.398 -0.314 2.014 1.00 0.00 C ATOM 884 C CYS A 60 -0.433 -1.335 1.419 1.00 0.00 C ATOM 885 O CYS A 60 0.738 -1.036 1.185 1.00 0.00 O ATOM 886 CB CYS A 60 -1.134 1.067 1.411 1.00 0.00 C ATOM 887 SG CYS A 60 -1.486 2.448 2.546 1.00 0.00 S ATOM 0 H CYS A 60 -0.475 0.280 3.799 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.415 -0.623 1.773 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.091 1.123 1.099 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.742 1.183 0.514 1.00 0.00 H new ATOM 892 N VAL A 61 -0.936 -2.540 1.176 1.00 0.00 N ATOM 893 CA VAL A 61 -0.125 -3.610 0.608 1.00 0.00 C ATOM 894 C VAL A 61 -0.194 -3.603 -0.916 1.00 0.00 C ATOM 895 O VAL A 61 -0.978 -4.344 -1.509 1.00 0.00 O ATOM 896 CB VAL A 61 -0.574 -4.988 1.130 1.00 0.00 C ATOM 897 CG1 VAL A 61 0.030 -5.260 2.498 1.00 0.00 C ATOM 898 CG2 VAL A 61 -2.093 -5.073 1.187 1.00 0.00 C ATOM 0 H VAL A 61 -1.904 -2.801 1.364 1.00 0.00 H new ATOM 0 HA VAL A 61 0.904 -3.430 0.920 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.217 -5.751 0.438 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.297 -6.237 2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.117 -5.246 2.425 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.297 -4.492 3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.389 -6.054 1.558 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.476 -4.302 1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.503 -4.924 0.188 1.00 0.00 H new ATOM 908 N ALA A 62 0.633 -2.759 -1.539 1.00 0.00 N ATOM 909 CA ALA A 62 0.681 -2.640 -2.999 1.00 0.00 C ATOM 910 C ALA A 62 -0.399 -3.475 -3.670 1.00 0.00 C ATOM 911 O ALA A 62 -0.332 -4.704 -3.679 1.00 0.00 O ATOM 912 CB ALA A 62 2.049 -3.046 -3.522 1.00 0.00 C ATOM 0 H ALA A 62 1.283 -2.143 -1.050 1.00 0.00 H new ATOM 0 HA ALA A 62 0.498 -1.594 -3.245 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.066 -2.951 -4.608 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.811 -2.398 -3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.252 -4.080 -3.245 1.00 0.00 H new ATOM 918 N LYS A 63 -1.384 -2.802 -4.249 1.00 0.00 N ATOM 919 CA LYS A 63 -2.461 -3.484 -4.939 1.00 0.00 C ATOM 920 C LYS A 63 -1.880 -4.358 -6.028 1.00 0.00 C ATOM 921 O LYS A 63 -2.322 -5.485 -6.251 1.00 0.00 O ATOM 922 CB LYS A 63 -3.425 -2.476 -5.553 1.00 0.00 C ATOM 923 CG LYS A 63 -4.765 -3.085 -5.917 1.00 0.00 C ATOM 924 CD LYS A 63 -5.519 -2.230 -6.923 1.00 0.00 C ATOM 925 CE LYS A 63 -6.589 -1.386 -6.249 1.00 0.00 C ATOM 926 NZ LYS A 63 -7.902 -1.493 -6.944 1.00 0.00 N ATOM 0 H LYS A 63 -1.456 -1.785 -4.253 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.008 -4.097 -4.223 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.583 -1.658 -4.850 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.972 -2.046 -6.447 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.611 -4.082 -6.330 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.367 -3.203 -5.016 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.818 -1.580 -7.447 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.980 -2.872 -7.674 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.701 -1.702 -5.212 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.271 -0.343 -6.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.604 -0.903 -6.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.802 -1.167 -7.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.218 -2.484 -6.938 1.00 0.00 H new ATOM 940 N SER A 64 -0.868 -3.821 -6.690 1.00 0.00 N ATOM 941 CA SER A 64 -0.187 -4.534 -7.751 1.00 0.00 C ATOM 942 C SER A 64 1.304 -4.255 -7.687 1.00 0.00 C ATOM 943 O SER A 64 1.760 -3.166 -8.023 1.00 0.00 O ATOM 944 CB SER A 64 -0.739 -4.142 -9.119 1.00 0.00 C ATOM 945 OG SER A 64 -2.152 -4.227 -9.145 1.00 0.00 O ATOM 0 H SER A 64 -0.500 -2.887 -6.507 1.00 0.00 H new ATOM 0 HA SER A 64 -0.359 -5.601 -7.612 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.429 -3.126 -9.361 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.319 -4.795 -9.884 1.00 0.00 H new ATOM 0 HG SER A 64 -2.479 -3.969 -10.032 1.00 0.00 H new ATOM 951 N TYR A 65 2.048 -5.246 -7.231 1.00 0.00 N ATOM 952 CA TYR A 65 3.493 -5.132 -7.085 1.00 0.00 C ATOM 953 C TYR A 65 4.228 -5.678 -8.291 1.00 0.00 C ATOM 954 O TYR A 65 3.679 -6.451 -9.077 1.00 0.00 O ATOM 955 CB TYR A 65 3.941 -5.910 -5.853 1.00 0.00 C ATOM 956 CG TYR A 65 3.054 -7.093 -5.541 1.00 0.00 C ATOM 957 CD1 TYR A 65 3.288 -8.334 -6.120 1.00 0.00 C ATOM 958 CD2 TYR A 65 1.980 -6.965 -4.672 1.00 0.00 C ATOM 959 CE1 TYR A 65 2.475 -9.415 -5.838 1.00 0.00 C ATOM 960 CE2 TYR A 65 1.163 -8.041 -4.385 1.00 0.00 C ATOM 961 CZ TYR A 65 1.414 -9.263 -4.971 1.00 0.00 C ATOM 962 OH TYR A 65 0.603 -10.336 -4.688 1.00 0.00 O ATOM 0 H TYR A 65 1.672 -6.152 -6.951 1.00 0.00 H new ATOM 0 HA TYR A 65 3.730 -4.073 -6.986 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.962 -6.260 -6.004 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.957 -5.239 -4.994 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.118 -8.456 -6.801 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.780 -6.008 -4.212 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.670 -10.374 -6.294 1.00 0.00 H new ATOM 0 HE2 TYR A 65 0.332 -7.925 -3.705 1.00 0.00 H new ATOM 0 HH TYR A 65 -0.096 -10.061 -4.059 1.00 0.00 H new ATOM 972 N ASN A 66 5.495 -5.312 -8.398 1.00 0.00 N ATOM 973 CA ASN A 66 6.339 -5.813 -9.474 1.00 0.00 C ATOM 974 C ASN A 66 7.624 -6.304 -8.861 1.00 0.00 C ATOM 975 O ASN A 66 8.697 -6.277 -9.463 1.00 0.00 O ATOM 976 CB ASN A 66 6.609 -4.746 -10.524 1.00 0.00 C ATOM 977 CG ASN A 66 6.266 -5.208 -11.928 1.00 0.00 C ATOM 978 OD1 ASN A 66 5.293 -4.749 -12.526 1.00 0.00 O ATOM 979 ND2 ASN A 66 7.071 -6.120 -12.461 1.00 0.00 N ATOM 0 H ASN A 66 5.962 -4.672 -7.756 1.00 0.00 H new ATOM 0 HA ASN A 66 5.829 -6.627 -9.989 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.029 -3.854 -10.287 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.661 -4.462 -10.486 1.00 0.00 H new ATOM 0 HD21 ASN A 66 6.894 -6.468 -13.403 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.866 -6.472 -11.928 1.00 0.00 H new ATOM 986 N ARG A 67 7.454 -6.739 -7.633 1.00 0.00 N ATOM 987 CA ARG A 67 8.523 -7.260 -6.798 1.00 0.00 C ATOM 988 C ARG A 67 9.818 -7.448 -7.572 1.00 0.00 C ATOM 989 O ARG A 67 9.842 -8.052 -8.645 1.00 0.00 O ATOM 990 CB ARG A 67 8.083 -8.578 -6.169 1.00 0.00 C ATOM 991 CG ARG A 67 8.447 -8.707 -4.702 1.00 0.00 C ATOM 992 CD ARG A 67 9.662 -9.599 -4.512 1.00 0.00 C ATOM 993 NE ARG A 67 9.325 -11.016 -4.616 1.00 0.00 N ATOM 994 CZ ARG A 67 9.486 -11.735 -5.723 1.00 0.00 C ATOM 995 NH1 ARG A 67 9.970 -11.171 -6.822 1.00 0.00 N ATOM 996 NH2 ARG A 67 9.166 -13.022 -5.731 1.00 0.00 N ATOM 0 H ARG A 67 6.545 -6.742 -7.171 1.00 0.00 H new ATOM 0 HA ARG A 67 8.724 -6.527 -6.016 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.003 -8.678 -6.276 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.536 -9.402 -6.720 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.649 -7.720 -4.287 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.602 -9.118 -4.150 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.415 -9.350 -5.260 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.106 -9.403 -3.536 1.00 0.00 H new ATOM 0 HE ARG A 67 8.944 -11.481 -3.792 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.220 -10.182 -6.820 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.092 -11.726 -7.669 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.796 -13.461 -4.888 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.290 -13.573 -6.580 1.00 0.00 H new ATOM 1010 N VAL A 68 10.892 -6.929 -7.001 1.00 0.00 N ATOM 1011 CA VAL A 68 12.214 -7.026 -7.602 1.00 0.00 C ATOM 1012 C VAL A 68 13.238 -7.387 -6.543 1.00 0.00 C ATOM 1013 O VAL A 68 14.330 -6.825 -6.494 1.00 0.00 O ATOM 1014 CB VAL A 68 12.631 -5.704 -8.281 1.00 0.00 C ATOM 1015 CG1 VAL A 68 11.514 -5.162 -9.165 1.00 0.00 C ATOM 1016 CG2 VAL A 68 13.031 -4.668 -7.238 1.00 0.00 C ATOM 0 H VAL A 68 10.874 -6.430 -6.111 1.00 0.00 H new ATOM 0 HA VAL A 68 12.172 -7.804 -8.364 1.00 0.00 H new ATOM 0 HB VAL A 68 13.493 -5.913 -8.915 1.00 0.00 H new ATOM 0 HG11 VAL A 68 11.837 -4.230 -9.630 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.277 -5.891 -9.940 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.628 -4.976 -8.558 1.00 0.00 H new ATOM 0 HG21 VAL A 68 13.322 -3.743 -7.737 1.00 0.00 H new ATOM 0 HG22 VAL A 68 12.187 -4.474 -6.576 1.00 0.00 H new ATOM 0 HG23 VAL A 68 13.871 -5.045 -6.654 1.00 0.00 H new ATOM 1026 N THR A 69 12.855 -8.321 -5.689 1.00 0.00 N ATOM 1027 CA THR A 69 13.701 -8.774 -4.595 1.00 0.00 C ATOM 1028 C THR A 69 15.171 -8.480 -4.852 1.00 0.00 C ATOM 1029 O THR A 69 15.764 -8.982 -5.807 1.00 0.00 O ATOM 1030 CB THR A 69 13.518 -10.268 -4.340 1.00 0.00 C ATOM 1031 OG1 THR A 69 12.179 -10.559 -3.977 1.00 0.00 O ATOM 1032 CG2 THR A 69 14.420 -10.783 -3.239 1.00 0.00 C ATOM 0 H THR A 69 11.949 -8.787 -5.733 1.00 0.00 H new ATOM 0 HA THR A 69 13.390 -8.218 -3.711 1.00 0.00 H new ATOM 0 HB THR A 69 13.780 -10.764 -5.275 1.00 0.00 H new ATOM 0 HG1 THR A 69 12.084 -11.522 -3.820 1.00 0.00 H new ATOM 0 HG21 THR A 69 14.250 -11.850 -3.098 1.00 0.00 H new ATOM 0 HG22 THR A 69 15.461 -10.615 -3.513 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.199 -10.255 -2.311 1.00 0.00 H new ATOM 1040 N VAL A 70 15.751 -7.671 -3.978 1.00 0.00 N ATOM 1041 CA VAL A 70 17.161 -7.305 -4.079 1.00 0.00 C ATOM 1042 C VAL A 70 17.873 -7.483 -2.752 1.00 0.00 C ATOM 1043 O VAL A 70 17.345 -8.083 -1.816 1.00 0.00 O ATOM 1044 CB VAL A 70 17.356 -5.848 -4.528 1.00 0.00 C ATOM 1045 CG1 VAL A 70 18.583 -5.723 -5.418 1.00 0.00 C ATOM 1046 CG2 VAL A 70 16.123 -5.336 -5.246 1.00 0.00 C ATOM 0 H VAL A 70 15.265 -7.252 -3.185 1.00 0.00 H new ATOM 0 HA VAL A 70 17.586 -7.972 -4.829 1.00 0.00 H new ATOM 0 HB VAL A 70 17.511 -5.236 -3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 70 18.705 -4.685 -5.726 1.00 0.00 H new ATOM 0 HG12 VAL A 70 19.467 -6.044 -4.867 1.00 0.00 H new ATOM 0 HG13 VAL A 70 18.458 -6.351 -6.300 1.00 0.00 H new ATOM 0 HG21 VAL A 70 16.284 -4.303 -5.554 1.00 0.00 H new ATOM 0 HG22 VAL A 70 15.932 -5.952 -6.125 1.00 0.00 H new ATOM 0 HG23 VAL A 70 15.265 -5.385 -4.576 1.00 0.00 H new ATOM 1056 N MET A 71 19.082 -6.953 -2.692 1.00 0.00 N ATOM 1057 CA MET A 71 19.902 -7.037 -1.498 1.00 0.00 C ATOM 1058 C MET A 71 20.005 -8.470 -1.018 1.00 0.00 C ATOM 1059 O MET A 71 20.318 -9.380 -1.787 1.00 0.00 O ATOM 1060 CB MET A 71 19.327 -6.174 -0.376 1.00 0.00 C ATOM 1061 CG MET A 71 18.916 -4.795 -0.822 1.00 0.00 C ATOM 1062 SD MET A 71 19.452 -3.509 0.324 1.00 0.00 S ATOM 1063 CE MET A 71 18.224 -2.242 0.017 1.00 0.00 C ATOM 0 H MET A 71 19.521 -6.455 -3.466 1.00 0.00 H new ATOM 0 HA MET A 71 20.895 -6.670 -1.758 1.00 0.00 H new ATOM 0 HB2 MET A 71 18.462 -6.680 0.053 1.00 0.00 H new ATOM 0 HB3 MET A 71 20.069 -6.083 0.417 1.00 0.00 H new ATOM 0 HG2 MET A 71 19.335 -4.596 -1.808 1.00 0.00 H new ATOM 0 HG3 MET A 71 17.831 -4.758 -0.923 1.00 0.00 H new ATOM 0 HE1 MET A 71 18.216 -1.534 0.846 1.00 0.00 H new ATOM 0 HE2 MET A 71 18.467 -1.716 -0.907 1.00 0.00 H new ATOM 0 HE3 MET A 71 17.241 -2.703 -0.075 1.00 0.00 H new ATOM 1073 N GLY A 72 19.734 -8.659 0.262 1.00 0.00 N ATOM 1074 CA GLY A 72 19.790 -9.971 0.843 1.00 0.00 C ATOM 1075 C GLY A 72 18.462 -10.697 0.756 1.00 0.00 C ATOM 1076 O GLY A 72 18.249 -11.701 1.437 1.00 0.00 O ATOM 0 H GLY A 72 19.474 -7.916 0.910 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.556 -10.558 0.336 1.00 0.00 H new ATOM 0 HA3 GLY A 72 20.090 -9.891 1.888 1.00 0.00 H new ATOM 1080 N GLY A 73 17.565 -10.187 -0.085 1.00 0.00 N ATOM 1081 CA GLY A 73 16.261 -10.802 -0.244 1.00 0.00 C ATOM 1082 C GLY A 73 15.126 -9.817 -0.040 1.00 0.00 C ATOM 1083 O GLY A 73 14.005 -10.211 0.282 1.00 0.00 O ATOM 0 H GLY A 73 17.720 -9.358 -0.659 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.187 -11.236 -1.241 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.160 -11.621 0.468 1.00 0.00 H new ATOM 1087 N PHE A 74 15.413 -8.532 -0.235 1.00 0.00 N ATOM 1088 CA PHE A 74 14.403 -7.490 -0.076 1.00 0.00 C ATOM 1089 C PHE A 74 13.218 -7.756 -0.993 1.00 0.00 C ATOM 1090 O PHE A 74 13.286 -8.617 -1.868 1.00 0.00 O ATOM 1091 CB PHE A 74 14.996 -6.115 -0.392 1.00 0.00 C ATOM 1092 CG PHE A 74 15.757 -5.507 0.749 1.00 0.00 C ATOM 1093 CD1 PHE A 74 16.706 -6.244 1.436 1.00 0.00 C ATOM 1094 CD2 PHE A 74 15.526 -4.195 1.131 1.00 0.00 C ATOM 1095 CE1 PHE A 74 17.411 -5.685 2.484 1.00 0.00 C ATOM 1096 CE2 PHE A 74 16.227 -3.631 2.179 1.00 0.00 C ATOM 1097 CZ PHE A 74 17.172 -4.377 2.857 1.00 0.00 C ATOM 0 H PHE A 74 16.335 -8.188 -0.503 1.00 0.00 H new ATOM 0 HA PHE A 74 14.064 -7.501 0.960 1.00 0.00 H new ATOM 0 HB2 PHE A 74 15.659 -6.205 -1.252 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.190 -5.440 -0.680 1.00 0.00 H new ATOM 0 HD1 PHE A 74 16.897 -7.268 1.149 1.00 0.00 H new ATOM 0 HD2 PHE A 74 14.790 -3.607 0.603 1.00 0.00 H new ATOM 0 HE1 PHE A 74 18.149 -6.271 3.012 1.00 0.00 H new ATOM 0 HE2 PHE A 74 16.037 -2.608 2.468 1.00 0.00 H new ATOM 0 HZ PHE A 74 17.722 -3.938 3.676 1.00 0.00 H new ATOM 1107 N LYS A 75 12.137 -7.010 -0.793 1.00 0.00 N ATOM 1108 CA LYS A 75 10.942 -7.168 -1.613 1.00 0.00 C ATOM 1109 C LYS A 75 10.158 -5.860 -1.703 1.00 0.00 C ATOM 1110 O LYS A 75 9.294 -5.585 -0.870 1.00 0.00 O ATOM 1111 CB LYS A 75 10.039 -8.270 -1.050 1.00 0.00 C ATOM 1112 CG LYS A 75 10.746 -9.595 -0.810 1.00 0.00 C ATOM 1113 CD LYS A 75 9.961 -10.762 -1.391 1.00 0.00 C ATOM 1114 CE LYS A 75 9.013 -11.368 -0.367 1.00 0.00 C ATOM 1115 NZ LYS A 75 8.224 -12.495 -0.939 1.00 0.00 N ATOM 0 H LYS A 75 12.064 -6.292 -0.072 1.00 0.00 H new ATOM 0 HA LYS A 75 11.267 -7.450 -2.614 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.608 -7.926 -0.110 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.211 -8.433 -1.740 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.739 -9.565 -1.258 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.884 -9.746 0.261 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.393 -10.423 -2.257 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.653 -11.527 -1.743 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.584 -11.723 0.491 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.334 -10.598 -0.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.590 -12.880 -0.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.659 -12.151 -1.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.871 -13.241 -1.265 1.00 0.00 H new ATOM 1129 N VAL A 76 10.451 -5.065 -2.728 1.00 0.00 N ATOM 1130 CA VAL A 76 9.755 -3.794 -2.937 1.00 0.00 C ATOM 1131 C VAL A 76 8.479 -4.024 -3.667 1.00 0.00 C ATOM 1132 O VAL A 76 7.832 -3.084 -4.130 1.00 0.00 O ATOM 1133 CB VAL A 76 10.594 -2.826 -3.789 1.00 0.00 C ATOM 1134 CG1 VAL A 76 11.836 -2.398 -3.021 1.00 0.00 C ATOM 1135 CG2 VAL A 76 10.962 -3.556 -5.072 1.00 0.00 C ATOM 0 H VAL A 76 11.164 -5.275 -3.427 1.00 0.00 H new ATOM 0 HA VAL A 76 9.577 -3.364 -1.951 1.00 0.00 H new ATOM 0 HB VAL A 76 10.034 -1.921 -4.024 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.424 -1.713 -3.632 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.539 -1.898 -2.099 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.436 -3.276 -2.781 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.559 -2.900 -5.705 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.537 -4.450 -4.830 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.053 -3.842 -5.601 1.00 0.00 H new ATOM 1145 N GLU A 77 8.144 -5.282 -3.791 1.00 0.00 N ATOM 1146 CA GLU A 77 6.950 -5.664 -4.520 1.00 0.00 C ATOM 1147 C GLU A 77 6.732 -4.588 -5.560 1.00 0.00 C ATOM 1148 O GLU A 77 5.623 -4.102 -5.766 1.00 0.00 O ATOM 1149 CB GLU A 77 5.761 -5.759 -3.564 1.00 0.00 C ATOM 1150 CG GLU A 77 5.028 -7.083 -3.631 1.00 0.00 C ATOM 1151 CD GLU A 77 5.538 -8.086 -2.614 1.00 0.00 C ATOM 1152 OE1 GLU A 77 6.011 -7.655 -1.541 1.00 0.00 O ATOM 1153 OE2 GLU A 77 5.464 -9.302 -2.890 1.00 0.00 O ATOM 0 H GLU A 77 8.675 -6.061 -3.401 1.00 0.00 H new ATOM 0 HA GLU A 77 7.056 -6.641 -4.991 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.113 -5.600 -2.545 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.061 -4.955 -3.789 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.964 -6.913 -3.466 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.133 -7.501 -4.632 1.00 0.00 H new ATOM 1160 N ASN A 78 7.860 -4.177 -6.142 1.00 0.00 N ATOM 1161 CA ASN A 78 7.908 -3.085 -7.091 1.00 0.00 C ATOM 1162 C ASN A 78 6.503 -2.589 -7.342 1.00 0.00 C ATOM 1163 O ASN A 78 5.893 -2.845 -8.379 1.00 0.00 O ATOM 1164 CB ASN A 78 8.609 -3.449 -8.384 1.00 0.00 C ATOM 1165 CG ASN A 78 8.927 -2.186 -9.137 1.00 0.00 C ATOM 1166 OD1 ASN A 78 9.583 -1.290 -8.611 1.00 0.00 O ATOM 1167 ND2 ASN A 78 8.470 -2.103 -10.363 1.00 0.00 N ATOM 0 H ASN A 78 8.769 -4.602 -5.960 1.00 0.00 H new ATOM 0 HA ASN A 78 8.508 -2.286 -6.655 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.524 -4.003 -8.174 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.974 -4.098 -8.987 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.930 -2.872 -10.759 1.00 0.00 H new ATOM 1172 N HIS A 79 5.991 -1.938 -6.319 1.00 0.00 N ATOM 1173 CA HIS A 79 4.634 -1.437 -6.295 1.00 0.00 C ATOM 1174 C HIS A 79 4.190 -0.738 -7.560 1.00 0.00 C ATOM 1175 O HIS A 79 4.713 0.294 -7.966 1.00 0.00 O ATOM 1176 CB HIS A 79 4.445 -0.535 -5.091 1.00 0.00 C ATOM 1177 CG HIS A 79 4.677 -1.284 -3.838 1.00 0.00 C ATOM 1178 ND1 HIS A 79 5.016 -2.577 -3.685 1.00 0.00 N flip ATOM 1179 CD2 HIS A 79 4.609 -0.747 -2.583 1.00 0.00 C flip ATOM 1180 CE1 HIS A 79 5.168 -2.854 -2.331 1.00 0.00 C flip ATOM 1181 NE2 HIS A 79 4.915 -1.718 -1.710 1.00 0.00 N flip ATOM 0 H HIS A 79 6.515 -1.739 -5.467 1.00 0.00 H new ATOM 0 HA HIS A 79 3.992 -2.315 -6.222 1.00 0.00 H new ATOM 0 HB2 HIS A 79 5.133 0.308 -5.150 1.00 0.00 H new ATOM 0 HB3 HIS A 79 3.436 -0.123 -5.093 1.00 0.00 H new ATOM 0 HD1 HIS A 79 5.142 -3.248 -4.443 1.00 0.00 H new ATOM 0 HD2 HIS A 79 4.355 0.274 -2.339 1.00 0.00 H new ATOM 0 HE1 HIS A 79 5.436 -3.799 -1.883 1.00 0.00 H new ATOM 1189 N THR A 80 3.164 -1.305 -8.139 1.00 0.00 N ATOM 1190 CA THR A 80 2.549 -0.747 -9.330 1.00 0.00 C ATOM 1191 C THR A 80 1.200 -0.161 -8.944 1.00 0.00 C ATOM 1192 O THR A 80 0.612 0.637 -9.675 1.00 0.00 O ATOM 1193 CB THR A 80 2.397 -1.815 -10.404 1.00 0.00 C ATOM 1194 OG1 THR A 80 1.114 -2.411 -10.352 1.00 0.00 O ATOM 1195 CG2 THR A 80 3.426 -2.907 -10.270 1.00 0.00 C ATOM 0 H THR A 80 2.727 -2.164 -7.805 1.00 0.00 H new ATOM 0 HA THR A 80 3.181 0.039 -9.744 1.00 0.00 H new ATOM 0 HB THR A 80 2.538 -1.306 -11.357 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.041 -3.092 -11.052 1.00 0.00 H new ATOM 0 HG21 THR A 80 3.277 -3.646 -11.058 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.425 -2.479 -10.358 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.322 -3.388 -9.297 1.00 0.00 H new ATOM 1203 N ALA A 81 0.733 -0.562 -7.762 1.00 0.00 N ATOM 1204 CA ALA A 81 -0.529 -0.085 -7.220 1.00 0.00 C ATOM 1205 C ALA A 81 -0.546 -0.288 -5.710 1.00 0.00 C ATOM 1206 O ALA A 81 0.029 -1.250 -5.207 1.00 0.00 O ATOM 1207 CB ALA A 81 -1.697 -0.807 -7.874 1.00 0.00 C ATOM 0 H ALA A 81 1.220 -1.224 -7.159 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.630 0.979 -7.434 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.633 -0.437 -7.456 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.682 -0.624 -8.948 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -1.614 -1.878 -7.687 1.00 0.00 H new ATOM 1213 N CYS A 82 -1.189 0.621 -4.987 1.00 0.00 N ATOM 1214 CA CYS A 82 -1.255 0.520 -3.532 1.00 0.00 C ATOM 1215 C CYS A 82 -2.692 0.650 -3.041 1.00 0.00 C ATOM 1216 O CYS A 82 -3.526 1.280 -3.691 1.00 0.00 O ATOM 1217 CB CYS A 82 -0.384 1.596 -2.882 1.00 0.00 C ATOM 1218 SG CYS A 82 0.686 0.979 -1.541 1.00 0.00 S ATOM 0 H CYS A 82 -1.669 1.431 -5.379 1.00 0.00 H new ATOM 0 HA CYS A 82 -0.879 -0.463 -3.246 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.241 2.055 -3.649 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -1.029 2.380 -2.486 1.00 0.00 H new ATOM 1223 N HIS A 83 -2.977 0.051 -1.889 1.00 0.00 N ATOM 1224 CA HIS A 83 -4.315 0.105 -1.315 1.00 0.00 C ATOM 1225 C HIS A 83 -4.288 -0.183 0.183 1.00 0.00 C ATOM 1226 O HIS A 83 -3.991 -1.300 0.606 1.00 0.00 O ATOM 1227 CB HIS A 83 -5.234 -0.892 -2.018 1.00 0.00 C ATOM 1228 CG HIS A 83 -4.899 -2.321 -1.725 1.00 0.00 C ATOM 1229 ND1 HIS A 83 -5.791 -3.200 -1.149 1.00 0.00 N ATOM 1230 CD2 HIS A 83 -3.760 -3.024 -1.930 1.00 0.00 C ATOM 1231 CE1 HIS A 83 -5.215 -4.381 -1.010 1.00 0.00 C ATOM 1232 NE2 HIS A 83 -3.984 -4.300 -1.476 1.00 0.00 N ATOM 0 H HIS A 83 -2.301 -0.476 -1.337 1.00 0.00 H new ATOM 0 HA HIS A 83 -4.699 1.114 -1.462 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -6.264 -0.699 -1.717 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -5.180 -0.728 -3.094 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -6.747 -2.974 -0.873 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -2.846 -2.651 -2.369 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -5.674 -5.262 -0.587 1.00 0.00 H new ATOM 1241 N CYS A 84 -4.608 0.832 0.979 1.00 0.00 N ATOM 1242 CA CYS A 84 -4.630 0.692 2.433 1.00 0.00 C ATOM 1243 C CYS A 84 -5.790 -0.199 2.866 1.00 0.00 C ATOM 1244 O CYS A 84 -6.922 -0.011 2.421 1.00 0.00 O ATOM 1245 CB CYS A 84 -4.744 2.071 3.095 1.00 0.00 C ATOM 1246 SG CYS A 84 -5.930 2.153 4.481 1.00 0.00 S ATOM 0 H CYS A 84 -4.856 1.762 0.642 1.00 0.00 H new ATOM 0 HA CYS A 84 -3.698 0.225 2.751 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -3.760 2.368 3.458 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.038 2.799 2.339 1.00 0.00 H new ATOM 1251 N SER A 85 -5.506 -1.165 3.736 1.00 0.00 N ATOM 1252 CA SER A 85 -6.540 -2.074 4.220 1.00 0.00 C ATOM 1253 C SER A 85 -5.952 -3.195 5.074 1.00 0.00 C ATOM 1254 O SER A 85 -5.999 -4.366 4.697 1.00 0.00 O ATOM 1255 CB SER A 85 -7.312 -2.674 3.042 1.00 0.00 C ATOM 1256 OG SER A 85 -6.659 -3.826 2.539 1.00 0.00 O ATOM 0 H SER A 85 -4.576 -1.337 4.117 1.00 0.00 H new ATOM 0 HA SER A 85 -7.219 -1.494 4.845 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.322 -2.934 3.359 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.408 -1.931 2.250 1.00 0.00 H new ATOM 0 HG SER A 85 -6.746 -4.559 3.183 1.00 0.00 H new ATOM 1262 N THR A 86 -5.413 -2.832 6.232 1.00 0.00 N ATOM 1263 CA THR A 86 -4.832 -3.812 7.147 1.00 0.00 C ATOM 1264 C THR A 86 -3.617 -4.503 6.531 1.00 0.00 C ATOM 1265 O THR A 86 -3.540 -4.678 5.315 1.00 0.00 O ATOM 1266 CB THR A 86 -5.882 -4.858 7.527 1.00 0.00 C ATOM 1267 OG1 THR A 86 -7.190 -4.371 7.279 1.00 0.00 O ATOM 1268 CG2 THR A 86 -5.817 -5.276 8.981 1.00 0.00 C ATOM 0 H THR A 86 -5.365 -1.868 6.561 1.00 0.00 H new ATOM 0 HA THR A 86 -4.502 -3.280 8.040 1.00 0.00 H new ATOM 0 HB THR A 86 -5.658 -5.726 6.907 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.464 -3.782 8.013 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.589 -6.019 9.181 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.837 -5.704 9.193 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.978 -4.406 9.617 1.00 0.00 H new ATOM 1276 N CYS A 87 -2.674 -4.900 7.383 1.00 0.00 N ATOM 1277 CA CYS A 87 -1.465 -5.582 6.929 1.00 0.00 C ATOM 1278 C CYS A 87 -1.234 -6.864 7.724 1.00 0.00 C ATOM 1279 O CYS A 87 -0.548 -6.856 8.747 1.00 0.00 O ATOM 1280 CB CYS A 87 -0.248 -4.664 7.066 1.00 0.00 C ATOM 1281 SG CYS A 87 0.609 -4.329 5.492 1.00 0.00 S ATOM 0 H CYS A 87 -2.724 -4.761 8.392 1.00 0.00 H new ATOM 0 HA CYS A 87 -1.600 -5.840 5.879 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -0.567 -3.718 7.503 1.00 0.00 H new ATOM 0 HB3 CYS A 87 0.458 -5.115 7.763 1.00 0.00 H new ATOM 1286 N TYR A 88 -1.810 -7.965 7.250 1.00 0.00 N ATOM 1287 CA TYR A 88 -1.662 -9.252 7.923 1.00 0.00 C ATOM 1288 C TYR A 88 -2.191 -9.178 9.352 1.00 0.00 C ATOM 1289 O TYR A 88 -1.417 -9.144 10.308 1.00 0.00 O ATOM 1290 CB TYR A 88 -0.193 -9.680 7.935 1.00 0.00 C ATOM 1291 CG TYR A 88 0.195 -10.611 6.805 1.00 0.00 C ATOM 1292 CD1 TYR A 88 -0.767 -11.265 6.041 1.00 0.00 C ATOM 1293 CD2 TYR A 88 1.533 -10.836 6.502 1.00 0.00 C ATOM 1294 CE1 TYR A 88 -0.406 -12.113 5.013 1.00 0.00 C ATOM 1295 CE2 TYR A 88 1.900 -11.682 5.474 1.00 0.00 C ATOM 1296 CZ TYR A 88 0.928 -12.318 4.733 1.00 0.00 C ATOM 1297 OH TYR A 88 1.291 -13.163 3.709 1.00 0.00 O ATOM 0 H TYR A 88 -2.382 -7.992 6.406 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.244 -9.992 7.373 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.433 -8.789 7.887 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.023 -10.170 8.884 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.813 -11.107 6.256 1.00 0.00 H new ATOM 0 HD2 TYR A 88 2.299 -10.341 7.081 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.166 -12.614 4.431 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.944 -11.844 5.252 1.00 0.00 H new ATOM 0 HH TYR A 88 2.268 -13.196 3.643 1.00 0.00 H new ATOM 1307 N TYR A 89 -3.512 -9.155 9.488 1.00 0.00 N ATOM 1308 CA TYR A 89 -4.143 -9.087 10.801 1.00 0.00 C ATOM 1309 C TYR A 89 -5.655 -8.926 10.672 1.00 0.00 C ATOM 1310 O TYR A 89 -6.160 -7.815 10.512 1.00 0.00 O ATOM 1311 CB TYR A 89 -3.562 -7.925 11.610 1.00 0.00 C ATOM 1312 CG TYR A 89 -4.438 -7.496 12.766 1.00 0.00 C ATOM 1313 CD1 TYR A 89 -4.310 -8.087 14.017 1.00 0.00 C ATOM 1314 CD2 TYR A 89 -5.395 -6.502 12.606 1.00 0.00 C ATOM 1315 CE1 TYR A 89 -5.111 -7.700 15.075 1.00 0.00 C ATOM 1316 CE2 TYR A 89 -6.199 -6.108 13.659 1.00 0.00 C ATOM 1317 CZ TYR A 89 -6.054 -6.710 14.891 1.00 0.00 C ATOM 1318 OH TYR A 89 -6.855 -6.322 15.942 1.00 0.00 O ATOM 0 H TYR A 89 -4.166 -9.182 8.706 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.939 -10.022 11.323 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.583 -8.214 11.994 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.406 -7.074 10.947 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.572 -8.862 14.165 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.513 -6.029 11.642 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.999 -8.170 16.041 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.937 -5.332 13.518 1.00 0.00 H new ATOM 0 HH TYR A 89 -6.371 -6.444 16.785 1.00 0.00 H new ATOM 1328 N HIS A 90 -6.371 -10.043 10.744 1.00 0.00 N ATOM 1329 CA HIS A 90 -7.825 -10.026 10.637 1.00 0.00 C ATOM 1330 C HIS A 90 -8.434 -11.246 11.321 1.00 0.00 C ATOM 1331 O HIS A 90 -9.527 -11.688 10.969 1.00 0.00 O ATOM 1332 CB HIS A 90 -8.247 -9.972 9.165 1.00 0.00 C ATOM 1333 CG HIS A 90 -8.641 -11.301 8.594 1.00 0.00 C ATOM 1334 ND1 HIS A 90 -7.742 -12.323 8.368 1.00 0.00 N ATOM 1335 CD2 HIS A 90 -9.849 -11.772 8.204 1.00 0.00 C ATOM 1336 CE1 HIS A 90 -8.380 -13.364 7.862 1.00 0.00 C ATOM 1337 NE2 HIS A 90 -9.658 -13.055 7.754 1.00 0.00 N ATOM 0 H HIS A 90 -5.968 -10.971 10.876 1.00 0.00 H new ATOM 0 HA HIS A 90 -8.196 -9.134 11.142 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.084 -9.282 9.063 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -7.425 -9.565 8.577 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -10.787 -11.238 8.240 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -7.932 -14.307 7.584 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -10.387 -13.671 7.394 1.00 0.00 H new ATOM 1346 N LYS A 91 -7.716 -11.784 12.302 1.00 0.00 N ATOM 1347 CA LYS A 91 -8.182 -12.951 13.040 1.00 0.00 C ATOM 1348 C LYS A 91 -8.817 -12.534 14.362 1.00 0.00 C ATOM 1349 O LYS A 91 -9.548 -13.306 14.984 1.00 0.00 O ATOM 1350 CB LYS A 91 -7.020 -13.912 13.299 1.00 0.00 C ATOM 1351 CG LYS A 91 -6.328 -14.387 12.032 1.00 0.00 C ATOM 1352 CD LYS A 91 -6.743 -15.803 11.670 1.00 0.00 C ATOM 1353 CE LYS A 91 -8.160 -15.843 11.122 1.00 0.00 C ATOM 1354 NZ LYS A 91 -8.211 -16.433 9.756 1.00 0.00 N ATOM 0 H LYS A 91 -6.809 -11.429 12.604 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.936 -13.458 12.438 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.288 -13.420 13.940 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.391 -14.778 13.847 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.570 -13.714 11.209 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -5.247 -14.347 12.169 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.053 -16.208 10.929 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.674 -16.440 12.551 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.792 -16.425 11.793 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.568 -14.833 11.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.195 -16.442 9.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.628 -15.863 9.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.846 -17.406 9.784 1.00 0.00 H new ATOM 1368 N SER A 92 -8.533 -11.308 14.788 1.00 0.00 N ATOM 1369 CA SER A 92 -9.075 -10.788 16.037 1.00 0.00 C ATOM 1370 C SER A 92 -8.347 -11.387 17.235 1.00 0.00 C ATOM 1371 O SER A 92 -7.345 -12.102 17.021 1.00 0.00 O ATOM 1372 CB SER A 92 -10.571 -11.089 16.133 1.00 0.00 C ATOM 1373 OG SER A 92 -11.239 -10.743 14.932 1.00 0.00 O ATOM 1374 OXT SER A 92 -8.785 -11.138 18.378 1.00 0.00 O ATOM 0 H SER A 92 -7.930 -10.656 14.286 1.00 0.00 H new ATOM 0 HA SER A 92 -8.928 -9.708 16.047 1.00 0.00 H new ATOM 0 HB2 SER A 92 -10.719 -12.148 16.343 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.004 -10.535 16.966 1.00 0.00 H new ATOM 0 HG SER A 92 -12.194 -10.947 15.018 1.00 0.00 H new TER 1380 SER A 92 HETATM 1381 C1 NAG A1052 -16.443 -10.384 4.421 1.00 0.00 C HETATM 1382 C2 NAG A1052 -16.321 -11.897 4.548 1.00 0.00 C HETATM 1383 C3 NAG A1052 -17.356 -12.588 3.680 1.00 0.00 C HETATM 1384 C4 NAG A1052 -18.740 -12.049 3.982 1.00 0.00 C HETATM 1385 C5 NAG A1052 -18.757 -10.531 3.876 1.00 0.00 C HETATM 1386 C6 NAG A1052 -20.093 -9.939 4.273 1.00 0.00 C HETATM 1387 C7 NAG A1052 -14.173 -12.898 4.988 1.00 0.00 C HETATM 1388 C8 NAG A1052 -12.803 -13.304 4.470 1.00 0.00 C HETATM 1389 N2 NAG A1052 -14.997 -12.309 4.129 1.00 0.00 N HETATM 1390 O3 NAG A1052 -17.330 -13.984 3.942 1.00 0.00 O HETATM 1391 O4 NAG A1052 -19.666 -12.591 3.051 1.00 0.00 O HETATM 1392 O5 NAG A1052 -17.768 -9.945 4.743 1.00 0.00 O HETATM 1393 O6 NAG A1052 -20.440 -10.295 5.603 1.00 0.00 O HETATM 1394 O7 NAG A1052 -14.474 -13.115 6.162 1.00 0.00 O HETATM 0 HO6 NAG A1052 -19.624 -10.456 6.122 1.00 0.00 H new HETATM 0 HO4 NAG A1052 -20.574 -12.519 3.413 1.00 0.00 H new HETATM 0 HO3 NAG A1052 -17.999 -14.434 3.384 1.00 0.00 H new HETATM 0 HN2 NAG A1052 -14.696 -12.146 3.168 1.00 0.00 H new HETATM 0 H83 NAG A1052 -12.919 -14.010 3.648 1.00 0.00 H new HETATM 0 H82 NAG A1052 -12.271 -12.421 4.116 1.00 0.00 H new HETATM 0 H81 NAG A1052 -12.234 -13.772 5.273 1.00 0.00 H new HETATM 0 H62 NAG A1052 -20.053 -8.853 4.183 1.00 0.00 H new HETATM 0 H61 NAG A1052 -20.866 -10.287 3.588 1.00 0.00 H new HETATM 0 H5 NAG A1052 -18.551 -10.307 2.829 1.00 0.00 H new HETATM 0 H4 NAG A1052 -19.015 -12.335 4.997 1.00 0.00 H new HETATM 0 H3 NAG A1052 -17.123 -12.400 2.632 1.00 0.00 H new HETATM 0 H2 NAG A1052 -16.488 -12.176 5.588 1.00 0.00 H new HETATM 1404 C1 NAG A1078 8.609 -0.869 -11.091 1.00 0.00 C HETATM 1405 C2 NAG A1078 9.422 -1.097 -12.360 1.00 0.00 C HETATM 1406 C3 NAG A1078 9.474 0.172 -13.192 1.00 0.00 C HETATM 1407 C4 NAG A1078 8.076 0.703 -13.437 1.00 0.00 C HETATM 1408 C5 NAG A1078 7.330 0.862 -12.122 1.00 0.00 C HETATM 1409 C6 NAG A1078 5.889 1.285 -12.321 1.00 0.00 C HETATM 1410 C7 NAG A1078 11.259 -2.657 -12.399 1.00 0.00 C HETATM 1411 C8 NAG A1078 12.685 -2.992 -11.995 1.00 0.00 C HETATM 1412 N2 NAG A1078 10.773 -1.485 -12.004 1.00 0.00 N HETATM 1413 O3 NAG A1078 10.090 -0.112 -14.439 1.00 0.00 O HETATM 1414 O4 NAG A1078 8.162 1.965 -14.081 1.00 0.00 O HETATM 1415 O5 NAG A1078 7.300 -0.375 -11.401 1.00 0.00 O HETATM 1416 O6 NAG A1078 5.218 0.423 -13.228 1.00 0.00 O HETATM 1417 O7 NAG A1078 10.605 -3.460 -13.065 1.00 0.00 O HETATM 0 HO6 NAG A1078 4.290 0.719 -13.335 1.00 0.00 H new HETATM 0 HO4 NAG A1078 7.311 2.165 -14.524 1.00 0.00 H new HETATM 0 HO3 NAG A1078 10.124 0.704 -14.980 1.00 0.00 H new HETATM 0 HN2 NAG A1078 11.353 -0.856 -11.448 1.00 0.00 H new HETATM 0 H83 NAG A1078 13.364 -2.244 -12.404 1.00 0.00 H new HETATM 0 H82 NAG A1078 12.763 -2.997 -10.908 1.00 0.00 H new HETATM 0 H81 NAG A1078 12.952 -3.975 -12.383 1.00 0.00 H new HETATM 0 H62 NAG A1078 5.371 1.281 -11.362 1.00 0.00 H new HETATM 0 H61 NAG A1078 5.857 2.308 -12.697 1.00 0.00 H new HETATM 0 H5 NAG A1078 7.868 1.633 -11.571 1.00 0.00 H new HETATM 0 H4 NAG A1078 7.535 -0.004 -14.066 1.00 0.00 H new HETATM 0 H3 NAG A1078 10.048 0.925 -12.652 1.00 0.00 H new HETATM 0 H2 NAG A1078 8.946 -1.886 -12.943 1.00 0.00 H new