USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=33 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 83 HIS : no HD1:sc= -5.98! C(o=-5.8!,f=-4.6!) USER MOD Set 1.2: A 85 SER OG : rot -129:sc= 0.178 USER MOD Set 2.1: A 46 THR OG1 : rot 180:sc= -0.0284 USER MOD Set 2.2: A 47 MET CE :methyl -162:sc= -0.024 (180deg=-1.06) USER MOD Single : A 1 ALA N :NH3+ -131:sc= -0.682 (180deg=-2.99!) USER MOD Single : A 5 GLN : amide:sc= -0.0236 K(o=-0.024,f=-1.2!) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0115 USER MOD Single : A 13 GLN : amide:sc= -5.36! C(o=-5.4!,f=-3.9!) USER MOD Single : A 15 ASN : amide:sc= -20.2! C(o=-20!,f=-14!) USER MOD Single : A 19 SER OG : rot 39:sc= 0.572 USER MOD Single : A 20 GLN : amide:sc= -0.739! C(o=-0.74!,f=-3.2!) USER MOD Single : A 27 GLN : amide:sc= -0.0677 K(o=-0.068,f=-1.2) USER MOD Single : A 29 MET CE :methyl 141:sc= -2.25 (180deg=-5.95!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc=-0.00339 USER MOD Single : A 43 SER OG : rot -30:sc= 1.93 USER MOD Single : A 44 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00606) USER MOD Single : A 45 LYS NZ :NH3+ 172:sc=-0.00964 (180deg=-0.107) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -146:sc= -0.342 (180deg=-1.56!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 77:sc= 0.0727 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00509 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=-0.96) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 174:sc= -1.83 (180deg=-1.94) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -23.7! C(o=-24!,f=-26!) USER MOD Single : A 80 THR OG1 : rot 180:sc=-0.00197 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -0.422 X(o=-0.42,f=-0.18) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A1052 NAG O3 : rot 180:sc= 0 USER MOD Single : A1052 NAG O4 : rot -162:sc= 1.09 USER MOD Single : A1052 NAG O6 : rot 180:sc= 0.959 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=-1.67e-05 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 14.497 5.499 7.932 1.00 0.00 N ATOM 2 CA ALA A 1 14.792 6.927 7.651 1.00 0.00 C ATOM 3 C ALA A 1 13.848 7.483 6.588 1.00 0.00 C ATOM 4 O ALA A 1 13.048 8.378 6.862 1.00 0.00 O ATOM 5 CB ALA A 1 16.240 7.091 7.213 1.00 0.00 C ATOM 0 H1 ALA A 1 14.427 5.355 8.960 1.00 0.00 H new ATOM 0 H2 ALA A 1 13.596 5.236 7.483 1.00 0.00 H new ATOM 0 H3 ALA A 1 15.261 4.905 7.550 1.00 0.00 H new ATOM 0 HA ALA A 1 14.637 7.493 8.570 1.00 0.00 H new ATOM 0 HB1 ALA A 1 16.442 8.143 7.010 1.00 0.00 H new ATOM 0 HB2 ALA A 1 16.902 6.740 8.005 1.00 0.00 H new ATOM 0 HB3 ALA A 1 16.415 6.507 6.309 1.00 0.00 H new ATOM 13 N PRO A 2 13.931 6.957 5.355 1.00 0.00 N ATOM 14 CA PRO A 2 13.085 7.399 4.246 1.00 0.00 C ATOM 15 C PRO A 2 11.702 6.756 4.275 1.00 0.00 C ATOM 16 O PRO A 2 10.874 7.002 3.398 1.00 0.00 O ATOM 17 CB PRO A 2 13.865 6.931 3.021 1.00 0.00 C ATOM 18 CG PRO A 2 14.570 5.698 3.477 1.00 0.00 C ATOM 19 CD PRO A 2 14.861 5.889 4.945 1.00 0.00 C ATOM 0 HA PRO A 2 12.895 8.472 4.273 1.00 0.00 H new ATOM 0 HB2 PRO A 2 13.200 6.721 2.183 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.571 7.691 2.685 1.00 0.00 H new ATOM 0 HG2 PRO A 2 13.951 4.815 3.316 1.00 0.00 H new ATOM 0 HG3 PRO A 2 15.492 5.548 2.915 1.00 0.00 H new ATOM 0 HD2 PRO A 2 14.690 4.972 5.509 1.00 0.00 H new ATOM 0 HD3 PRO A 2 15.899 6.177 5.112 1.00 0.00 H new ATOM 27 N ASP A 3 11.461 5.928 5.285 1.00 0.00 N ATOM 28 CA ASP A 3 10.178 5.248 5.422 1.00 0.00 C ATOM 29 C ASP A 3 9.440 5.717 6.672 1.00 0.00 C ATOM 30 O ASP A 3 10.058 6.016 7.694 1.00 0.00 O ATOM 31 CB ASP A 3 10.388 3.733 5.476 1.00 0.00 C ATOM 32 CG ASP A 3 10.011 3.051 4.177 1.00 0.00 C ATOM 33 OD1 ASP A 3 9.307 3.679 3.358 1.00 0.00 O ATOM 34 OD2 ASP A 3 10.418 1.887 3.978 1.00 0.00 O ATOM 0 H ASP A 3 12.135 5.712 6.019 1.00 0.00 H new ATOM 0 HA ASP A 3 9.569 5.495 4.553 1.00 0.00 H new ATOM 0 HB2 ASP A 3 11.433 3.522 5.704 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.793 3.315 6.288 1.00 0.00 H new ATOM 39 N VAL A 4 8.115 5.776 6.583 1.00 0.00 N ATOM 40 CA VAL A 4 7.293 6.204 7.708 1.00 0.00 C ATOM 41 C VAL A 4 7.262 7.726 7.822 1.00 0.00 C ATOM 42 O VAL A 4 8.005 8.426 7.135 1.00 0.00 O ATOM 43 CB VAL A 4 7.802 5.599 9.033 1.00 0.00 C ATOM 44 CG1 VAL A 4 8.458 6.660 9.906 1.00 0.00 C ATOM 45 CG2 VAL A 4 6.666 4.914 9.777 1.00 0.00 C ATOM 0 H VAL A 4 7.588 5.533 5.744 1.00 0.00 H new ATOM 0 HA VAL A 4 6.281 5.844 7.521 1.00 0.00 H new ATOM 0 HB VAL A 4 8.558 4.851 8.794 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.807 6.204 10.833 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.304 7.096 9.375 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.733 7.441 10.136 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.043 4.493 10.709 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.885 5.641 9.997 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.255 4.116 9.159 1.00 0.00 H new ATOM 55 N GLN A 5 6.399 8.229 8.699 1.00 0.00 N ATOM 56 CA GLN A 5 6.272 9.665 8.911 1.00 0.00 C ATOM 57 C GLN A 5 5.320 10.287 7.893 1.00 0.00 C ATOM 58 O GLN A 5 5.602 10.307 6.695 1.00 0.00 O ATOM 59 CB GLN A 5 7.650 10.336 8.835 1.00 0.00 C ATOM 60 CG GLN A 5 7.873 11.158 7.575 1.00 0.00 C ATOM 61 CD GLN A 5 9.101 12.042 7.669 1.00 0.00 C ATOM 62 OE1 GLN A 5 9.470 12.499 8.751 1.00 0.00 O ATOM 63 NE2 GLN A 5 9.743 12.287 6.533 1.00 0.00 N ATOM 0 H GLN A 5 5.777 7.662 9.275 1.00 0.00 H new ATOM 0 HA GLN A 5 5.855 9.827 9.905 1.00 0.00 H new ATOM 0 HB2 GLN A 5 7.776 10.982 9.704 1.00 0.00 H new ATOM 0 HB3 GLN A 5 8.420 9.567 8.895 1.00 0.00 H new ATOM 0 HG2 GLN A 5 7.976 10.488 6.721 1.00 0.00 H new ATOM 0 HG3 GLN A 5 6.996 11.778 7.390 1.00 0.00 H new ATOM 0 HE21 GLN A 5 9.402 11.888 5.658 1.00 0.00 H new ATOM 0 HE22 GLN A 5 10.577 12.874 6.535 1.00 0.00 H new ATOM 72 N ASP A 6 4.192 10.796 8.380 1.00 0.00 N ATOM 73 CA ASP A 6 3.200 11.423 7.513 1.00 0.00 C ATOM 74 C ASP A 6 2.455 10.381 6.685 1.00 0.00 C ATOM 75 O ASP A 6 2.990 9.314 6.382 1.00 0.00 O ATOM 76 CB ASP A 6 3.872 12.437 6.587 1.00 0.00 C ATOM 77 CG ASP A 6 3.489 13.867 6.916 1.00 0.00 C ATOM 78 OD1 ASP A 6 2.467 14.346 6.383 1.00 0.00 O ATOM 79 OD2 ASP A 6 4.213 14.507 7.708 1.00 0.00 O ATOM 0 H ASP A 6 3.942 10.787 9.369 1.00 0.00 H new ATOM 0 HA ASP A 6 2.478 11.937 8.147 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.954 12.328 6.659 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.598 12.219 5.555 1.00 0.00 H new ATOM 84 N CYS A 7 1.218 10.699 6.320 1.00 0.00 N ATOM 85 CA CYS A 7 0.399 9.793 5.524 1.00 0.00 C ATOM 86 C CYS A 7 0.310 10.270 4.077 1.00 0.00 C ATOM 87 O CYS A 7 -0.673 10.893 3.676 1.00 0.00 O ATOM 88 CB CYS A 7 -1.003 9.679 6.123 1.00 0.00 C ATOM 89 SG CYS A 7 -2.200 8.819 5.052 1.00 0.00 S ATOM 0 H CYS A 7 0.760 11.578 6.563 1.00 0.00 H new ATOM 0 HA CYS A 7 0.872 8.811 5.536 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -0.938 9.151 7.075 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -1.377 10.680 6.338 1.00 0.00 H new ATOM 94 N PRO A 8 1.346 9.982 3.277 1.00 0.00 N ATOM 95 CA PRO A 8 1.396 10.379 1.867 1.00 0.00 C ATOM 96 C PRO A 8 0.409 9.596 1.006 1.00 0.00 C ATOM 97 O PRO A 8 -0.438 8.868 1.522 1.00 0.00 O ATOM 98 CB PRO A 8 2.835 10.057 1.461 1.00 0.00 C ATOM 99 CG PRO A 8 3.251 8.967 2.387 1.00 0.00 C ATOM 100 CD PRO A 8 2.552 9.244 3.689 1.00 0.00 C ATOM 0 HA PRO A 8 1.123 11.425 1.728 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.891 9.737 0.421 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.480 10.930 1.561 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.970 7.991 1.993 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.333 8.958 2.519 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.300 8.323 4.214 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.174 9.834 4.362 1.00 0.00 H new ATOM 108 N GLU A 9 0.525 9.752 -0.309 1.00 0.00 N ATOM 109 CA GLU A 9 -0.359 9.061 -1.241 1.00 0.00 C ATOM 110 C GLU A 9 -0.002 7.581 -1.338 1.00 0.00 C ATOM 111 O GLU A 9 1.081 7.220 -1.798 1.00 0.00 O ATOM 112 CB GLU A 9 -0.282 9.710 -2.624 1.00 0.00 C ATOM 113 CG GLU A 9 -1.343 9.211 -3.590 1.00 0.00 C ATOM 114 CD GLU A 9 -1.727 10.252 -4.624 1.00 0.00 C ATOM 115 OE1 GLU A 9 -2.014 11.402 -4.230 1.00 0.00 O ATOM 116 OE2 GLU A 9 -1.742 9.917 -5.827 1.00 0.00 O ATOM 0 H GLU A 9 1.222 10.350 -0.753 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.379 9.144 -0.865 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.381 10.790 -2.515 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.703 9.521 -3.050 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.976 8.319 -4.097 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.230 8.917 -3.029 1.00 0.00 H new ATOM 123 N CYS A 10 -0.923 6.728 -0.901 1.00 0.00 N ATOM 124 CA CYS A 10 -0.713 5.286 -0.938 1.00 0.00 C ATOM 125 C CYS A 10 -0.091 4.858 -2.263 1.00 0.00 C ATOM 126 O CYS A 10 -0.757 4.854 -3.298 1.00 0.00 O ATOM 127 CB CYS A 10 -2.039 4.553 -0.729 1.00 0.00 C ATOM 128 SG CYS A 10 -1.984 2.782 -1.148 1.00 0.00 S ATOM 0 H CYS A 10 -1.824 7.012 -0.516 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.026 5.025 -0.133 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.340 4.660 0.313 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.807 5.035 -1.334 1.00 0.00 H new ATOM 133 N THR A 11 1.186 4.491 -2.224 1.00 0.00 N ATOM 134 CA THR A 11 1.892 4.055 -3.421 1.00 0.00 C ATOM 135 C THR A 11 3.338 3.735 -3.100 1.00 0.00 C ATOM 136 O THR A 11 3.741 3.734 -1.940 1.00 0.00 O ATOM 137 CB THR A 11 1.831 5.123 -4.511 1.00 0.00 C ATOM 138 OG1 THR A 11 2.505 4.686 -5.677 1.00 0.00 O ATOM 139 CG2 THR A 11 2.445 6.441 -4.093 1.00 0.00 C ATOM 0 H THR A 11 1.752 4.487 -1.376 1.00 0.00 H new ATOM 0 HA THR A 11 1.400 3.154 -3.787 1.00 0.00 H new ATOM 0 HB THR A 11 0.770 5.280 -4.703 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.454 5.382 -6.365 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.368 7.155 -4.913 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.915 6.830 -3.223 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.495 6.290 -3.841 1.00 0.00 H new ATOM 147 N LEU A 12 4.115 3.465 -4.133 1.00 0.00 N ATOM 148 CA LEU A 12 5.519 3.139 -3.961 1.00 0.00 C ATOM 149 C LEU A 12 6.350 4.381 -3.748 1.00 0.00 C ATOM 150 O LEU A 12 6.197 5.381 -4.450 1.00 0.00 O ATOM 151 CB LEU A 12 6.029 2.375 -5.164 1.00 0.00 C ATOM 152 CG LEU A 12 5.563 0.929 -5.236 1.00 0.00 C ATOM 153 CD1 LEU A 12 4.093 0.824 -4.885 1.00 0.00 C ATOM 154 CD2 LEU A 12 5.823 0.385 -6.626 1.00 0.00 C ATOM 0 H LEU A 12 3.797 3.465 -5.102 1.00 0.00 H new ATOM 0 HA LEU A 12 5.611 2.515 -3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.710 2.892 -6.069 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.119 2.392 -5.154 1.00 0.00 H new ATOM 0 HG LEU A 12 6.122 0.336 -4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.779 -0.218 -4.942 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.933 1.196 -3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.508 1.418 -5.587 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.490 -0.651 -6.679 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.277 0.980 -7.358 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.890 0.434 -6.842 1.00 0.00 H new ATOM 166 N GLN A 13 7.230 4.308 -2.768 1.00 0.00 N ATOM 167 CA GLN A 13 8.091 5.427 -2.454 1.00 0.00 C ATOM 168 C GLN A 13 9.516 5.150 -2.864 1.00 0.00 C ATOM 169 O GLN A 13 10.446 5.261 -2.066 1.00 0.00 O ATOM 170 CB GLN A 13 8.040 5.743 -0.981 1.00 0.00 C ATOM 171 CG GLN A 13 7.095 6.880 -0.634 1.00 0.00 C ATOM 172 CD GLN A 13 6.872 7.024 0.859 1.00 0.00 C ATOM 173 OE1 GLN A 13 7.726 6.655 1.665 1.00 0.00 O ATOM 174 NE2 GLN A 13 5.719 7.565 1.236 1.00 0.00 N ATOM 0 H GLN A 13 7.366 3.487 -2.178 1.00 0.00 H new ATOM 0 HA GLN A 13 7.728 6.287 -3.016 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.735 4.849 -0.437 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.043 5.998 -0.638 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.497 7.813 -1.028 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.137 6.713 -1.125 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.039 7.857 0.534 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.514 7.688 2.227 1.00 0.00 H new ATOM 183 N GLU A 14 9.651 4.787 -4.115 1.00 0.00 N ATOM 184 CA GLU A 14 10.941 4.468 -4.718 1.00 0.00 C ATOM 185 C GLU A 14 12.051 4.468 -3.690 1.00 0.00 C ATOM 186 O GLU A 14 12.349 5.478 -3.052 1.00 0.00 O ATOM 187 CB GLU A 14 11.284 5.441 -5.831 1.00 0.00 C ATOM 188 CG GLU A 14 12.289 4.898 -6.837 1.00 0.00 C ATOM 189 CD GLU A 14 12.530 5.867 -7.978 1.00 0.00 C ATOM 190 OE1 GLU A 14 11.557 6.208 -8.683 1.00 0.00 O ATOM 191 OE2 GLU A 14 13.691 6.288 -8.165 1.00 0.00 O ATOM 0 H GLU A 14 8.865 4.701 -4.759 1.00 0.00 H new ATOM 0 HA GLU A 14 10.853 3.466 -5.137 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.369 5.713 -6.357 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.683 6.355 -5.391 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.232 4.691 -6.332 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.927 3.951 -7.236 1.00 0.00 H new ATOM 198 N ASN A 15 12.648 3.316 -3.549 1.00 0.00 N ATOM 199 CA ASN A 15 13.729 3.111 -2.610 1.00 0.00 C ATOM 200 C ASN A 15 14.844 4.129 -2.803 1.00 0.00 C ATOM 201 O ASN A 15 15.606 4.054 -3.766 1.00 0.00 O ATOM 202 CB ASN A 15 14.276 1.706 -2.761 1.00 0.00 C ATOM 203 CG ASN A 15 14.603 1.070 -1.431 1.00 0.00 C ATOM 204 OD1 ASN A 15 14.613 1.730 -0.392 1.00 0.00 O ATOM 205 ND2 ASN A 15 14.876 -0.222 -1.462 1.00 0.00 N ATOM 0 H ASN A 15 12.400 2.484 -4.084 1.00 0.00 H new ATOM 0 HA ASN A 15 13.331 3.245 -1.604 1.00 0.00 H new ATOM 0 HB2 ASN A 15 13.546 1.089 -3.286 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.174 1.733 -3.378 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.108 -0.715 -0.600 1.00 0.00 H new ATOM 0 HD22 ASN A 15 14.855 -0.727 -2.348 1.00 0.00 H new ATOM 212 N PRO A 16 14.965 5.089 -1.875 1.00 0.00 N ATOM 213 CA PRO A 16 16.005 6.117 -1.936 1.00 0.00 C ATOM 214 C PRO A 16 17.375 5.556 -1.566 1.00 0.00 C ATOM 215 O PRO A 16 18.257 6.282 -1.109 1.00 0.00 O ATOM 216 CB PRO A 16 15.544 7.141 -0.901 1.00 0.00 C ATOM 217 CG PRO A 16 14.767 6.345 0.091 1.00 0.00 C ATOM 218 CD PRO A 16 14.104 5.240 -0.688 1.00 0.00 C ATOM 0 HA PRO A 16 16.124 6.533 -2.937 1.00 0.00 H new ATOM 0 HB2 PRO A 16 16.392 7.641 -0.432 1.00 0.00 H new ATOM 0 HB3 PRO A 16 14.929 7.917 -1.357 1.00 0.00 H new ATOM 0 HG2 PRO A 16 15.421 5.939 0.863 1.00 0.00 H new ATOM 0 HG3 PRO A 16 14.026 6.966 0.594 1.00 0.00 H new ATOM 0 HD2 PRO A 16 14.052 4.317 -0.110 1.00 0.00 H new ATOM 0 HD3 PRO A 16 13.082 5.501 -0.964 1.00 0.00 H new ATOM 226 N PHE A 17 17.537 4.253 -1.768 1.00 0.00 N ATOM 227 CA PHE A 17 18.784 3.570 -1.463 1.00 0.00 C ATOM 228 C PHE A 17 19.204 2.690 -2.631 1.00 0.00 C ATOM 229 O PHE A 17 20.312 2.810 -3.154 1.00 0.00 O ATOM 230 CB PHE A 17 18.616 2.709 -0.215 1.00 0.00 C ATOM 231 CG PHE A 17 19.866 1.981 0.179 1.00 0.00 C ATOM 232 CD1 PHE A 17 20.234 0.811 -0.464 1.00 0.00 C ATOM 233 CD2 PHE A 17 20.673 2.470 1.191 1.00 0.00 C ATOM 234 CE1 PHE A 17 21.386 0.140 -0.102 1.00 0.00 C ATOM 235 CE2 PHE A 17 21.826 1.804 1.558 1.00 0.00 C ATOM 236 CZ PHE A 17 22.184 0.638 0.911 1.00 0.00 C ATOM 0 H PHE A 17 16.810 3.645 -2.146 1.00 0.00 H new ATOM 0 HA PHE A 17 19.555 4.320 -1.285 1.00 0.00 H new ATOM 0 HB2 PHE A 17 18.296 3.341 0.613 1.00 0.00 H new ATOM 0 HB3 PHE A 17 17.821 1.984 -0.387 1.00 0.00 H new ATOM 0 HD1 PHE A 17 19.614 0.419 -1.257 1.00 0.00 H new ATOM 0 HD2 PHE A 17 20.398 3.382 1.699 1.00 0.00 H new ATOM 0 HE1 PHE A 17 21.663 -0.772 -0.610 1.00 0.00 H new ATOM 0 HE2 PHE A 17 22.447 2.195 2.350 1.00 0.00 H new ATOM 0 HZ PHE A 17 23.086 0.116 1.196 1.00 0.00 H new ATOM 246 N PHE A 18 18.300 1.807 -3.033 1.00 0.00 N ATOM 247 CA PHE A 18 18.552 0.897 -4.141 1.00 0.00 C ATOM 248 C PHE A 18 18.558 1.653 -5.460 1.00 0.00 C ATOM 249 O PHE A 18 19.123 1.193 -6.453 1.00 0.00 O ATOM 250 CB PHE A 18 17.482 -0.192 -4.175 1.00 0.00 C ATOM 251 CG PHE A 18 18.039 -1.579 -4.288 1.00 0.00 C ATOM 252 CD1 PHE A 18 18.719 -2.151 -3.229 1.00 0.00 C ATOM 253 CD2 PHE A 18 17.883 -2.309 -5.455 1.00 0.00 C ATOM 254 CE1 PHE A 18 19.236 -3.428 -3.328 1.00 0.00 C ATOM 255 CE2 PHE A 18 18.398 -3.586 -5.562 1.00 0.00 C ATOM 256 CZ PHE A 18 19.076 -4.147 -4.497 1.00 0.00 C ATOM 0 H PHE A 18 17.380 1.702 -2.605 1.00 0.00 H new ATOM 0 HA PHE A 18 19.530 0.437 -3.996 1.00 0.00 H new ATOM 0 HB2 PHE A 18 16.879 -0.125 -3.270 1.00 0.00 H new ATOM 0 HB3 PHE A 18 16.815 -0.008 -5.017 1.00 0.00 H new ATOM 0 HD1 PHE A 18 18.848 -1.593 -2.313 1.00 0.00 H new ATOM 0 HD2 PHE A 18 17.353 -1.875 -6.290 1.00 0.00 H new ATOM 0 HE1 PHE A 18 19.764 -3.864 -2.493 1.00 0.00 H new ATOM 0 HE2 PHE A 18 18.271 -4.145 -6.477 1.00 0.00 H new ATOM 0 HZ PHE A 18 19.480 -5.145 -4.578 1.00 0.00 H new ATOM 266 N SER A 19 17.916 2.814 -5.463 1.00 0.00 N ATOM 267 CA SER A 19 17.836 3.639 -6.657 1.00 0.00 C ATOM 268 C SER A 19 19.169 3.676 -7.390 1.00 0.00 C ATOM 269 O SER A 19 20.118 4.326 -6.953 1.00 0.00 O ATOM 270 CB SER A 19 17.398 5.057 -6.298 1.00 0.00 C ATOM 271 OG SER A 19 18.275 5.640 -5.350 1.00 0.00 O ATOM 0 H SER A 19 17.442 3.205 -4.648 1.00 0.00 H new ATOM 0 HA SER A 19 17.093 3.195 -7.320 1.00 0.00 H new ATOM 0 HB2 SER A 19 17.371 5.671 -7.198 1.00 0.00 H new ATOM 0 HB3 SER A 19 16.385 5.037 -5.896 1.00 0.00 H new ATOM 0 HG SER A 19 19.198 5.382 -5.556 1.00 0.00 H new ATOM 277 N GLN A 20 19.224 2.976 -8.515 1.00 0.00 N ATOM 278 CA GLN A 20 20.432 2.922 -9.330 1.00 0.00 C ATOM 279 C GLN A 20 20.161 3.492 -10.715 1.00 0.00 C ATOM 280 O GLN A 20 19.008 3.613 -11.129 1.00 0.00 O ATOM 281 CB GLN A 20 20.930 1.479 -9.462 1.00 0.00 C ATOM 282 CG GLN A 20 21.758 0.997 -8.282 1.00 0.00 C ATOM 283 CD GLN A 20 22.370 2.135 -7.489 1.00 0.00 C ATOM 284 OE1 GLN A 20 23.183 2.901 -8.007 1.00 0.00 O ATOM 285 NE2 GLN A 20 21.980 2.253 -6.226 1.00 0.00 N ATOM 0 H GLN A 20 18.443 2.435 -8.886 1.00 0.00 H new ATOM 0 HA GLN A 20 21.199 3.519 -8.838 1.00 0.00 H new ATOM 0 HB2 GLN A 20 20.071 0.819 -9.583 1.00 0.00 H new ATOM 0 HB3 GLN A 20 21.527 1.394 -10.370 1.00 0.00 H new ATOM 0 HG2 GLN A 20 21.129 0.398 -7.623 1.00 0.00 H new ATOM 0 HG3 GLN A 20 22.552 0.344 -8.644 1.00 0.00 H new ATOM 0 HE21 GLN A 20 21.304 1.596 -5.838 1.00 0.00 H new ATOM 0 HE22 GLN A 20 22.356 3.001 -5.644 1.00 0.00 H new ATOM 294 N PRO A 21 21.222 3.835 -11.459 1.00 0.00 N ATOM 295 CA PRO A 21 21.086 4.374 -12.813 1.00 0.00 C ATOM 296 C PRO A 21 20.440 3.357 -13.744 1.00 0.00 C ATOM 297 O PRO A 21 21.051 2.899 -14.710 1.00 0.00 O ATOM 298 CB PRO A 21 22.531 4.661 -13.237 1.00 0.00 C ATOM 299 CG PRO A 21 23.366 3.793 -12.359 1.00 0.00 C ATOM 300 CD PRO A 21 22.629 3.705 -11.052 1.00 0.00 C ATOM 0 HA PRO A 21 20.450 5.258 -12.852 1.00 0.00 H new ATOM 0 HB2 PRO A 21 22.688 4.426 -14.290 1.00 0.00 H new ATOM 0 HB3 PRO A 21 22.780 5.714 -13.104 1.00 0.00 H new ATOM 0 HG2 PRO A 21 23.501 2.805 -12.800 1.00 0.00 H new ATOM 0 HG3 PRO A 21 24.360 4.218 -12.220 1.00 0.00 H new ATOM 0 HD2 PRO A 21 22.817 2.759 -10.545 1.00 0.00 H new ATOM 0 HD3 PRO A 21 22.926 4.498 -10.366 1.00 0.00 H new ATOM 308 N GLY A 22 19.199 3.003 -13.431 1.00 0.00 N ATOM 309 CA GLY A 22 18.470 2.032 -14.227 1.00 0.00 C ATOM 310 C GLY A 22 17.677 1.049 -13.378 1.00 0.00 C ATOM 311 O GLY A 22 17.218 0.023 -13.880 1.00 0.00 O ATOM 0 H GLY A 22 18.681 3.374 -12.634 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.790 2.556 -14.898 1.00 0.00 H new ATOM 0 HA3 GLY A 22 19.172 1.481 -14.852 1.00 0.00 H new ATOM 315 N ALA A 23 17.509 1.358 -12.092 1.00 0.00 N ATOM 316 CA ALA A 23 16.760 0.489 -11.189 1.00 0.00 C ATOM 317 C ALA A 23 16.475 1.181 -9.875 1.00 0.00 C ATOM 318 O ALA A 23 17.331 1.288 -8.996 1.00 0.00 O ATOM 319 CB ALA A 23 17.503 -0.815 -10.961 1.00 0.00 C ATOM 0 H ALA A 23 17.881 2.201 -11.655 1.00 0.00 H new ATOM 0 HA ALA A 23 15.804 0.261 -11.660 1.00 0.00 H new ATOM 0 HB1 ALA A 23 16.928 -1.448 -10.285 1.00 0.00 H new ATOM 0 HB2 ALA A 23 17.637 -1.328 -11.913 1.00 0.00 H new ATOM 0 HB3 ALA A 23 18.478 -0.606 -10.521 1.00 0.00 H new ATOM 325 N PRO A 24 15.257 1.699 -9.767 1.00 0.00 N ATOM 326 CA PRO A 24 14.776 2.442 -8.630 1.00 0.00 C ATOM 327 C PRO A 24 13.767 1.690 -7.772 1.00 0.00 C ATOM 328 O PRO A 24 12.558 1.825 -7.959 1.00 0.00 O ATOM 329 CB PRO A 24 14.100 3.598 -9.353 1.00 0.00 C ATOM 330 CG PRO A 24 13.599 3.016 -10.651 1.00 0.00 C ATOM 331 CD PRO A 24 14.231 1.660 -10.798 1.00 0.00 C ATOM 0 HA PRO A 24 15.561 2.696 -7.918 1.00 0.00 H new ATOM 0 HB2 PRO A 24 13.280 4.006 -8.762 1.00 0.00 H new ATOM 0 HB3 PRO A 24 14.800 4.414 -9.532 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.512 2.936 -10.644 1.00 0.00 H new ATOM 0 HG3 PRO A 24 13.866 3.659 -11.490 1.00 0.00 H new ATOM 0 HD2 PRO A 24 13.515 0.855 -10.633 1.00 0.00 H new ATOM 0 HD3 PRO A 24 14.654 1.511 -11.791 1.00 0.00 H new ATOM 339 N ILE A 25 14.272 0.912 -6.826 1.00 0.00 N ATOM 340 CA ILE A 25 13.445 0.157 -5.927 1.00 0.00 C ATOM 341 C ILE A 25 12.336 0.995 -5.324 1.00 0.00 C ATOM 342 O ILE A 25 12.076 2.108 -5.773 1.00 0.00 O ATOM 343 CB ILE A 25 14.332 -0.452 -4.858 1.00 0.00 C ATOM 344 CG1 ILE A 25 15.207 -1.458 -5.543 1.00 0.00 C ATOM 345 CG2 ILE A 25 13.507 -1.140 -3.797 1.00 0.00 C ATOM 346 CD1 ILE A 25 14.372 -2.477 -6.264 1.00 0.00 C ATOM 0 H ILE A 25 15.273 0.793 -6.668 1.00 0.00 H new ATOM 0 HA ILE A 25 12.944 -0.635 -6.484 1.00 0.00 H new ATOM 0 HB ILE A 25 14.918 0.324 -4.366 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.867 -0.954 -6.249 1.00 0.00 H new ATOM 0 HG13 ILE A 25 15.844 -1.954 -4.810 1.00 0.00 H new ATOM 0 HG21 ILE A 25 14.168 -1.568 -3.043 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.841 -0.416 -3.327 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.916 -1.934 -4.254 1.00 0.00 H new ATOM 0 HD11 ILE A 25 15.024 -3.199 -6.756 1.00 0.00 H new ATOM 0 HD12 ILE A 25 13.731 -2.994 -5.550 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.754 -1.979 -7.011 1.00 0.00 H new ATOM 358 N LEU A 26 11.619 0.419 -4.367 1.00 0.00 N ATOM 359 CA LEU A 26 10.472 1.082 -3.794 1.00 0.00 C ATOM 360 C LEU A 26 10.137 0.640 -2.393 1.00 0.00 C ATOM 361 O LEU A 26 10.976 0.180 -1.628 1.00 0.00 O ATOM 362 CB LEU A 26 9.319 0.726 -4.687 1.00 0.00 C ATOM 363 CG LEU A 26 9.753 -0.039 -5.913 1.00 0.00 C ATOM 364 CD1 LEU A 26 8.741 -1.117 -6.230 1.00 0.00 C ATOM 365 CD2 LEU A 26 9.952 0.903 -7.091 1.00 0.00 C ATOM 0 H LEU A 26 11.817 -0.503 -3.978 1.00 0.00 H new ATOM 0 HA LEU A 26 10.683 2.149 -3.727 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.600 0.129 -4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.806 1.638 -4.994 1.00 0.00 H new ATOM 0 HG LEU A 26 10.711 -0.519 -5.714 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.060 -1.666 -7.116 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.664 -1.803 -5.386 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.769 -0.660 -6.416 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.265 0.332 -7.965 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.015 1.416 -7.309 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.719 1.637 -6.844 1.00 0.00 H new ATOM 377 N GLN A 27 8.867 0.806 -2.092 1.00 0.00 N ATOM 378 CA GLN A 27 8.317 0.441 -0.799 1.00 0.00 C ATOM 379 C GLN A 27 6.924 1.050 -0.618 1.00 0.00 C ATOM 380 O GLN A 27 6.731 1.967 0.180 1.00 0.00 O ATOM 381 CB GLN A 27 9.271 0.881 0.313 1.00 0.00 C ATOM 382 CG GLN A 27 8.663 0.832 1.709 1.00 0.00 C ATOM 383 CD GLN A 27 8.775 -0.539 2.346 1.00 0.00 C ATOM 384 OE1 GLN A 27 9.779 -1.233 2.180 1.00 0.00 O ATOM 385 NE2 GLN A 27 7.743 -0.938 3.080 1.00 0.00 N ATOM 0 H GLN A 27 8.182 1.199 -2.738 1.00 0.00 H new ATOM 0 HA GLN A 27 8.210 -0.642 -0.746 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.156 0.245 0.291 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.605 1.898 0.109 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.160 1.565 2.344 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.613 1.118 1.654 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.931 -0.331 3.191 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.762 -1.852 3.533 1.00 0.00 H new ATOM 394 N CYS A 28 5.957 0.529 -1.385 1.00 0.00 N ATOM 395 CA CYS A 28 4.571 1.006 -1.332 1.00 0.00 C ATOM 396 C CYS A 28 4.264 1.635 0.025 1.00 0.00 C ATOM 397 O CYS A 28 3.974 0.930 0.991 1.00 0.00 O ATOM 398 CB CYS A 28 3.586 -0.139 -1.602 1.00 0.00 C ATOM 399 SG CYS A 28 1.923 0.403 -2.117 1.00 0.00 S ATOM 0 H CYS A 28 6.112 -0.227 -2.052 1.00 0.00 H new ATOM 0 HA CYS A 28 4.454 1.762 -2.108 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.001 -0.784 -2.377 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.495 -0.744 -0.700 1.00 0.00 H new ATOM 404 N MET A 29 4.332 2.961 0.096 1.00 0.00 N ATOM 405 CA MET A 29 4.064 3.673 1.342 1.00 0.00 C ATOM 406 C MET A 29 2.928 4.677 1.172 1.00 0.00 C ATOM 407 O MET A 29 2.778 5.290 0.114 1.00 0.00 O ATOM 408 CB MET A 29 5.325 4.394 1.822 1.00 0.00 C ATOM 409 CG MET A 29 5.533 4.320 3.326 1.00 0.00 C ATOM 410 SD MET A 29 5.351 5.922 4.132 1.00 0.00 S ATOM 411 CE MET A 29 3.639 5.844 4.653 1.00 0.00 C ATOM 0 H MET A 29 4.570 3.563 -0.692 1.00 0.00 H new ATOM 0 HA MET A 29 3.762 2.938 2.088 1.00 0.00 H new ATOM 0 HB2 MET A 29 6.192 3.963 1.322 1.00 0.00 H new ATOM 0 HB3 MET A 29 5.272 5.441 1.522 1.00 0.00 H new ATOM 0 HG2 MET A 29 4.816 3.619 3.754 1.00 0.00 H new ATOM 0 HG3 MET A 29 6.528 3.925 3.532 1.00 0.00 H new ATOM 0 HE1 MET A 29 3.538 6.295 5.640 1.00 0.00 H new ATOM 0 HE2 MET A 29 3.017 6.386 3.941 1.00 0.00 H new ATOM 0 HE3 MET A 29 3.319 4.803 4.696 1.00 0.00 H new ATOM 421 N GLY A 30 2.130 4.840 2.224 1.00 0.00 N ATOM 422 CA GLY A 30 1.017 5.770 2.178 1.00 0.00 C ATOM 423 C GLY A 30 -0.231 5.214 2.838 1.00 0.00 C ATOM 424 O GLY A 30 -0.147 4.333 3.694 1.00 0.00 O ATOM 0 H GLY A 30 2.235 4.343 3.109 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.303 6.699 2.672 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.796 6.016 1.139 1.00 0.00 H new ATOM 428 N CYS A 31 -1.391 5.729 2.441 1.00 0.00 N ATOM 429 CA CYS A 31 -2.661 5.277 3.001 1.00 0.00 C ATOM 430 C CYS A 31 -3.814 5.561 2.041 1.00 0.00 C ATOM 431 O CYS A 31 -4.088 6.714 1.710 1.00 0.00 O ATOM 432 CB CYS A 31 -2.927 5.959 4.345 1.00 0.00 C ATOM 433 SG CYS A 31 -1.514 6.908 4.995 1.00 0.00 S ATOM 0 H CYS A 31 -1.478 6.459 1.734 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.594 4.200 3.154 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.781 6.628 4.237 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.207 5.200 5.075 1.00 0.00 H new ATOM 438 N CYS A 32 -4.489 4.503 1.599 1.00 0.00 N ATOM 439 CA CYS A 32 -5.614 4.643 0.680 1.00 0.00 C ATOM 440 C CYS A 32 -6.609 5.679 1.196 1.00 0.00 C ATOM 441 O CYS A 32 -7.031 5.626 2.351 1.00 0.00 O ATOM 442 CB CYS A 32 -6.314 3.296 0.488 1.00 0.00 C ATOM 443 SG CYS A 32 -5.725 2.348 -0.952 1.00 0.00 S ATOM 0 H CYS A 32 -4.277 3.541 1.862 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.228 4.982 -0.281 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.174 2.695 1.387 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -7.385 3.467 0.383 1.00 0.00 H new ATOM 448 N PHE A 33 -6.975 6.623 0.335 1.00 0.00 N ATOM 449 CA PHE A 33 -7.917 7.672 0.709 1.00 0.00 C ATOM 450 C PHE A 33 -8.950 7.904 -0.389 1.00 0.00 C ATOM 451 O PHE A 33 -8.752 7.508 -1.537 1.00 0.00 O ATOM 452 CB PHE A 33 -7.167 8.973 0.999 1.00 0.00 C ATOM 453 CG PHE A 33 -6.547 9.594 -0.220 1.00 0.00 C ATOM 454 CD1 PHE A 33 -5.289 9.202 -0.650 1.00 0.00 C ATOM 455 CD2 PHE A 33 -7.221 10.572 -0.934 1.00 0.00 C ATOM 456 CE1 PHE A 33 -4.716 9.774 -1.770 1.00 0.00 C ATOM 457 CE2 PHE A 33 -6.652 11.147 -2.055 1.00 0.00 C ATOM 458 CZ PHE A 33 -5.398 10.748 -2.473 1.00 0.00 C ATOM 0 H PHE A 33 -6.634 6.683 -0.625 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.441 7.348 1.608 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -7.856 9.687 1.450 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.386 8.776 1.734 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.751 8.441 -0.104 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.202 10.888 -0.611 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.735 9.460 -2.095 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.188 11.908 -2.603 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.951 11.197 -3.348 1.00 0.00 H new ATOM 468 N SER A 34 -10.054 8.552 -0.026 1.00 0.00 N ATOM 469 CA SER A 34 -11.120 8.841 -0.978 1.00 0.00 C ATOM 470 C SER A 34 -11.878 7.571 -1.350 1.00 0.00 C ATOM 471 O SER A 34 -11.752 7.066 -2.466 1.00 0.00 O ATOM 472 CB SER A 34 -10.543 9.493 -2.236 1.00 0.00 C ATOM 473 OG SER A 34 -11.575 9.927 -3.105 1.00 0.00 O ATOM 0 H SER A 34 -10.233 8.886 0.921 1.00 0.00 H new ATOM 0 HA SER A 34 -11.818 9.532 -0.506 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.919 10.341 -1.956 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.901 8.782 -2.756 1.00 0.00 H new ATOM 0 HG SER A 34 -11.180 10.341 -3.900 1.00 0.00 H new ATOM 479 N ARG A 35 -12.665 7.059 -0.409 1.00 0.00 N ATOM 480 CA ARG A 35 -13.442 5.847 -0.640 1.00 0.00 C ATOM 481 C ARG A 35 -14.606 5.753 0.339 1.00 0.00 C ATOM 482 O ARG A 35 -14.856 4.699 0.922 1.00 0.00 O ATOM 483 CB ARG A 35 -12.549 4.613 -0.509 1.00 0.00 C ATOM 484 CG ARG A 35 -11.068 4.923 -0.642 1.00 0.00 C ATOM 485 CD ARG A 35 -10.220 3.668 -0.511 1.00 0.00 C ATOM 486 NE ARG A 35 -9.199 3.587 -1.552 1.00 0.00 N ATOM 487 CZ ARG A 35 -8.708 2.441 -2.014 1.00 0.00 C ATOM 488 NH1 ARG A 35 -9.141 1.287 -1.527 1.00 0.00 N ATOM 489 NH2 ARG A 35 -7.784 2.449 -2.964 1.00 0.00 N ATOM 0 H ARG A 35 -12.781 7.464 0.520 1.00 0.00 H new ATOM 0 HA ARG A 35 -13.845 5.890 -1.652 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.729 4.144 0.459 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.831 3.887 -1.272 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.879 5.391 -1.608 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.776 5.642 0.124 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -9.741 3.654 0.468 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -10.862 2.789 -0.564 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.843 4.458 -1.946 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.852 1.277 -0.796 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.763 0.409 -1.883 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.449 3.335 -3.342 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.408 1.569 -3.317 1.00 0.00 H new ATOM 503 N ALA A 36 -15.314 6.864 0.514 1.00 0.00 N ATOM 504 CA ALA A 36 -16.452 6.908 1.422 1.00 0.00 C ATOM 505 C ALA A 36 -17.372 8.082 1.101 1.00 0.00 C ATOM 506 O ALA A 36 -16.963 9.242 1.165 1.00 0.00 O ATOM 507 CB ALA A 36 -15.972 6.988 2.864 1.00 0.00 C ATOM 0 H ALA A 36 -15.119 7.745 0.039 1.00 0.00 H new ATOM 0 HA ALA A 36 -17.024 5.990 1.290 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -16.832 7.020 3.533 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.366 6.112 3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.374 7.889 2.999 1.00 0.00 H new ATOM 513 N TYR A 37 -18.619 7.771 0.760 1.00 0.00 N ATOM 514 CA TYR A 37 -19.605 8.795 0.433 1.00 0.00 C ATOM 515 C TYR A 37 -21.018 8.279 0.688 1.00 0.00 C ATOM 516 O TYR A 37 -21.689 7.795 -0.223 1.00 0.00 O ATOM 517 CB TYR A 37 -19.460 9.231 -1.027 1.00 0.00 C ATOM 518 CG TYR A 37 -18.786 10.575 -1.191 1.00 0.00 C ATOM 519 CD1 TYR A 37 -19.266 11.699 -0.530 1.00 0.00 C ATOM 520 CD2 TYR A 37 -17.669 10.720 -2.005 1.00 0.00 C ATOM 521 CE1 TYR A 37 -18.652 12.928 -0.674 1.00 0.00 C ATOM 522 CE2 TYR A 37 -17.050 11.947 -2.154 1.00 0.00 C ATOM 523 CZ TYR A 37 -17.545 13.047 -1.487 1.00 0.00 C ATOM 524 OH TYR A 37 -16.931 14.269 -1.632 1.00 0.00 O ATOM 0 H TYR A 37 -18.971 6.815 0.703 1.00 0.00 H new ATOM 0 HA TYR A 37 -19.428 9.658 1.075 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -18.887 8.478 -1.568 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -20.448 9.270 -1.486 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -20.134 11.610 0.107 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -17.278 9.860 -2.529 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -19.037 13.792 -0.152 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -16.183 12.043 -2.790 1.00 0.00 H new ATOM 0 HH TYR A 37 -16.166 14.181 -2.238 1.00 0.00 H new ATOM 534 N PRO A 38 -21.483 8.374 1.943 1.00 0.00 N ATOM 535 CA PRO A 38 -22.818 7.912 2.333 1.00 0.00 C ATOM 536 C PRO A 38 -23.922 8.852 1.859 1.00 0.00 C ATOM 537 O PRO A 38 -23.672 9.785 1.096 1.00 0.00 O ATOM 538 CB PRO A 38 -22.747 7.894 3.860 1.00 0.00 C ATOM 539 CG PRO A 38 -21.743 8.940 4.202 1.00 0.00 C ATOM 540 CD PRO A 38 -20.736 8.936 3.082 1.00 0.00 C ATOM 0 HA PRO A 38 -23.063 6.947 1.890 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -23.717 8.115 4.305 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -22.442 6.916 4.231 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -22.216 9.917 4.297 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -21.264 8.723 5.157 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -20.373 9.941 2.866 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -19.865 8.329 3.329 1.00 0.00 H new ATOM 548 N THR A 39 -25.145 8.598 2.316 1.00 0.00 N ATOM 549 CA THR A 39 -26.289 9.419 1.937 1.00 0.00 C ATOM 550 C THR A 39 -27.471 9.174 2.872 1.00 0.00 C ATOM 551 O THR A 39 -27.769 8.035 3.229 1.00 0.00 O ATOM 552 CB THR A 39 -26.694 9.122 0.493 1.00 0.00 C ATOM 553 OG1 THR A 39 -27.469 10.181 -0.040 1.00 0.00 O ATOM 554 CG2 THR A 39 -27.495 7.846 0.347 1.00 0.00 C ATOM 0 H THR A 39 -25.368 7.830 2.949 1.00 0.00 H new ATOM 0 HA THR A 39 -25.999 10.466 2.019 1.00 0.00 H new ATOM 0 HB THR A 39 -25.757 9.008 -0.052 1.00 0.00 H new ATOM 0 HG1 THR A 39 -27.716 9.972 -0.965 1.00 0.00 H new ATOM 0 HG21 THR A 39 -27.750 7.694 -0.702 1.00 0.00 H new ATOM 0 HG22 THR A 39 -26.903 7.002 0.702 1.00 0.00 H new ATOM 0 HG23 THR A 39 -28.409 7.921 0.936 1.00 0.00 H new ATOM 562 N PRO A 40 -28.160 10.251 3.280 1.00 0.00 N ATOM 563 CA PRO A 40 -29.311 10.166 4.174 1.00 0.00 C ATOM 564 C PRO A 40 -30.611 9.901 3.422 1.00 0.00 C ATOM 565 O PRO A 40 -31.680 10.352 3.834 1.00 0.00 O ATOM 566 CB PRO A 40 -29.333 11.550 4.814 1.00 0.00 C ATOM 567 CG PRO A 40 -28.805 12.462 3.757 1.00 0.00 C ATOM 568 CD PRO A 40 -27.866 11.644 2.901 1.00 0.00 C ATOM 0 HA PRO A 40 -29.230 9.344 4.886 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -30.342 11.832 5.113 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -28.714 11.582 5.711 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -29.619 12.870 3.157 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -28.283 13.308 4.203 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -28.043 11.815 1.839 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -26.824 11.899 3.095 1.00 0.00 H new ATOM 576 N LEU A 41 -30.512 9.170 2.316 1.00 0.00 N ATOM 577 CA LEU A 41 -31.680 8.848 1.505 1.00 0.00 C ATOM 578 C LEU A 41 -32.086 7.388 1.689 1.00 0.00 C ATOM 579 O LEU A 41 -31.616 6.714 2.606 1.00 0.00 O ATOM 580 CB LEU A 41 -31.396 9.133 0.027 1.00 0.00 C ATOM 581 CG LEU A 41 -32.233 10.257 -0.589 1.00 0.00 C ATOM 582 CD1 LEU A 41 -32.255 10.140 -2.105 1.00 0.00 C ATOM 583 CD2 LEU A 41 -33.648 10.233 -0.032 1.00 0.00 C ATOM 0 H LEU A 41 -29.635 8.790 1.961 1.00 0.00 H new ATOM 0 HA LEU A 41 -32.506 9.478 1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -30.341 9.384 -0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -31.567 8.220 -0.543 1.00 0.00 H new ATOM 0 HG LEU A 41 -31.774 11.210 -0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -32.855 10.948 -2.524 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -31.237 10.207 -2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -32.688 9.181 -2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -34.229 11.039 -0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -34.114 9.276 -0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -33.616 10.367 1.049 1.00 0.00 H new ATOM 595 N ARG A 42 -32.964 6.907 0.815 1.00 0.00 N ATOM 596 CA ARG A 42 -33.435 5.528 0.884 1.00 0.00 C ATOM 597 C ARG A 42 -33.648 4.953 -0.512 1.00 0.00 C ATOM 598 O ARG A 42 -34.096 5.652 -1.422 1.00 0.00 O ATOM 599 CB ARG A 42 -34.737 5.452 1.687 1.00 0.00 C ATOM 600 CG ARG A 42 -35.600 4.248 1.340 1.00 0.00 C ATOM 601 CD ARG A 42 -36.079 3.526 2.589 1.00 0.00 C ATOM 602 NE ARG A 42 -37.417 2.966 2.420 1.00 0.00 N ATOM 603 CZ ARG A 42 -38.241 2.706 3.431 1.00 0.00 C ATOM 604 NH1 ARG A 42 -37.865 2.956 4.677 1.00 0.00 N ATOM 605 NH2 ARG A 42 -39.440 2.195 3.195 1.00 0.00 N ATOM 0 H ARG A 42 -33.364 7.451 0.051 1.00 0.00 H new ATOM 0 HA ARG A 42 -32.671 4.934 1.386 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -34.497 5.422 2.750 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -35.313 6.362 1.516 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -36.460 4.572 0.754 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -35.031 3.559 0.716 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -35.380 2.727 2.836 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -36.080 4.219 3.430 1.00 0.00 H new ATOM 0 HE ARG A 42 -37.738 2.763 1.473 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -36.942 3.349 4.862 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -38.499 2.756 5.451 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -39.732 2.001 2.237 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -40.071 1.996 3.971 1.00 0.00 H new ATOM 619 N SER A 43 -33.326 3.673 -0.673 1.00 0.00 N ATOM 620 CA SER A 43 -33.484 3.001 -1.958 1.00 0.00 C ATOM 621 C SER A 43 -32.578 3.626 -3.014 1.00 0.00 C ATOM 622 O SER A 43 -32.842 4.725 -3.501 1.00 0.00 O ATOM 623 CB SER A 43 -34.943 3.067 -2.414 1.00 0.00 C ATOM 624 OG SER A 43 -35.166 4.186 -3.255 1.00 0.00 O ATOM 0 H SER A 43 -32.954 3.081 0.070 1.00 0.00 H new ATOM 0 HA SER A 43 -33.197 1.957 -1.833 1.00 0.00 H new ATOM 0 HB2 SER A 43 -35.203 2.152 -2.946 1.00 0.00 H new ATOM 0 HB3 SER A 43 -35.597 3.127 -1.544 1.00 0.00 H new ATOM 0 HG SER A 43 -34.557 4.911 -3.003 1.00 0.00 H new ATOM 630 N LYS A 44 -31.507 2.920 -3.362 1.00 0.00 N ATOM 631 CA LYS A 44 -30.561 3.409 -4.359 1.00 0.00 C ATOM 632 C LYS A 44 -29.341 2.497 -4.438 1.00 0.00 C ATOM 633 O LYS A 44 -29.224 1.678 -5.349 1.00 0.00 O ATOM 634 CB LYS A 44 -30.130 4.839 -4.023 1.00 0.00 C ATOM 635 CG LYS A 44 -28.861 5.282 -4.737 1.00 0.00 C ATOM 636 CD LYS A 44 -27.817 5.787 -3.755 1.00 0.00 C ATOM 637 CE LYS A 44 -27.361 7.195 -4.102 1.00 0.00 C ATOM 638 NZ LYS A 44 -28.437 8.199 -3.876 1.00 0.00 N ATOM 0 H LYS A 44 -31.273 2.008 -2.969 1.00 0.00 H new ATOM 0 HA LYS A 44 -31.055 3.408 -5.331 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -30.939 5.522 -4.282 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -29.977 4.919 -2.947 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -28.453 4.447 -5.307 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -29.100 6.069 -5.452 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -28.229 5.775 -2.746 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -26.959 5.115 -3.757 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -26.491 7.454 -3.499 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -27.047 7.228 -5.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -28.061 9.154 -4.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -29.224 8.017 -4.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -28.778 8.128 -2.896 1.00 0.00 H new ATOM 652 N LYS A 45 -28.437 2.644 -3.476 1.00 0.00 N ATOM 653 CA LYS A 45 -27.226 1.833 -3.437 1.00 0.00 C ATOM 654 C LYS A 45 -26.392 2.037 -4.696 1.00 0.00 C ATOM 655 O LYS A 45 -26.734 1.536 -5.767 1.00 0.00 O ATOM 656 CB LYS A 45 -27.584 0.354 -3.281 1.00 0.00 C ATOM 657 CG LYS A 45 -27.744 -0.084 -1.835 1.00 0.00 C ATOM 658 CD LYS A 45 -28.682 -1.273 -1.712 1.00 0.00 C ATOM 659 CE LYS A 45 -28.735 -1.798 -0.286 1.00 0.00 C ATOM 660 NZ LYS A 45 -29.240 -0.770 0.666 1.00 0.00 N ATOM 0 H LYS A 45 -28.520 3.316 -2.714 1.00 0.00 H new ATOM 0 HA LYS A 45 -26.634 2.150 -2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -28.512 0.155 -3.817 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -26.808 -0.250 -3.751 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -26.769 -0.345 -1.423 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -28.129 0.746 -1.243 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -29.683 -0.982 -2.031 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -28.353 -2.068 -2.381 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -29.379 -2.677 -0.246 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -27.739 -2.118 0.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -29.390 -1.205 1.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -28.544 -0.002 0.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -30.140 -0.385 0.315 1.00 0.00 H new ATOM 674 N THR A 46 -25.296 2.774 -4.556 1.00 0.00 N ATOM 675 CA THR A 46 -24.408 3.043 -5.681 1.00 0.00 C ATOM 676 C THR A 46 -22.958 2.770 -5.299 1.00 0.00 C ATOM 677 O THR A 46 -22.037 3.080 -6.054 1.00 0.00 O ATOM 678 CB THR A 46 -24.564 4.490 -6.149 1.00 0.00 C ATOM 679 OG1 THR A 46 -24.600 5.375 -5.043 1.00 0.00 O ATOM 680 CG2 THR A 46 -25.817 4.722 -6.965 1.00 0.00 C ATOM 0 H THR A 46 -25.001 3.196 -3.675 1.00 0.00 H new ATOM 0 HA THR A 46 -24.683 2.377 -6.499 1.00 0.00 H new ATOM 0 HB THR A 46 -23.697 4.685 -6.781 1.00 0.00 H new ATOM 0 HG1 THR A 46 -24.698 6.296 -5.364 1.00 0.00 H new ATOM 0 HG21 THR A 46 -25.867 5.769 -7.265 1.00 0.00 H new ATOM 0 HG22 THR A 46 -25.795 4.090 -7.853 1.00 0.00 H new ATOM 0 HG23 THR A 46 -26.693 4.475 -6.365 1.00 0.00 H new ATOM 688 N MET A 47 -22.764 2.186 -4.121 1.00 0.00 N ATOM 689 CA MET A 47 -21.427 1.869 -3.637 1.00 0.00 C ATOM 690 C MET A 47 -21.164 0.370 -3.711 1.00 0.00 C ATOM 691 O MET A 47 -20.280 -0.149 -3.031 1.00 0.00 O ATOM 692 CB MET A 47 -21.250 2.358 -2.199 1.00 0.00 C ATOM 693 CG MET A 47 -20.359 3.583 -2.083 1.00 0.00 C ATOM 694 SD MET A 47 -21.273 5.065 -1.617 1.00 0.00 S ATOM 695 CE MET A 47 -22.195 5.379 -3.121 1.00 0.00 C ATOM 0 H MET A 47 -23.516 1.923 -3.485 1.00 0.00 H new ATOM 0 HA MET A 47 -20.707 2.379 -4.277 1.00 0.00 H new ATOM 0 HB2 MET A 47 -22.229 2.589 -1.779 1.00 0.00 H new ATOM 0 HB3 MET A 47 -20.827 1.552 -1.599 1.00 0.00 H new ATOM 0 HG2 MET A 47 -19.581 3.393 -1.343 1.00 0.00 H new ATOM 0 HG3 MET A 47 -19.858 3.754 -3.036 1.00 0.00 H new ATOM 0 HE1 MET A 47 -22.553 6.409 -3.120 1.00 0.00 H new ATOM 0 HE2 MET A 47 -21.548 5.220 -3.984 1.00 0.00 H new ATOM 0 HE3 MET A 47 -23.046 4.700 -3.175 1.00 0.00 H new ATOM 705 N LEU A 48 -21.937 -0.320 -4.543 1.00 0.00 N ATOM 706 CA LEU A 48 -21.782 -1.759 -4.703 1.00 0.00 C ATOM 707 C LEU A 48 -20.915 -2.082 -5.914 1.00 0.00 C ATOM 708 O LEU A 48 -20.884 -3.221 -6.381 1.00 0.00 O ATOM 709 CB LEU A 48 -23.146 -2.438 -4.840 1.00 0.00 C ATOM 710 CG LEU A 48 -23.322 -3.695 -3.987 1.00 0.00 C ATOM 711 CD1 LEU A 48 -24.757 -4.193 -4.058 1.00 0.00 C ATOM 712 CD2 LEU A 48 -22.356 -4.779 -4.437 1.00 0.00 C ATOM 0 H LEU A 48 -22.674 0.093 -5.114 1.00 0.00 H new ATOM 0 HA LEU A 48 -21.287 -2.142 -3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -23.922 -1.721 -4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -23.303 -2.700 -5.886 1.00 0.00 H new ATOM 0 HG LEU A 48 -23.100 -3.443 -2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -24.862 -5.088 -3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -25.430 -3.419 -3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -25.009 -4.430 -5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -22.493 -5.667 -3.821 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -22.549 -5.028 -5.480 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -21.332 -4.420 -4.333 1.00 0.00 H new ATOM 724 N VAL A 49 -20.206 -1.076 -6.418 1.00 0.00 N ATOM 725 CA VAL A 49 -19.335 -1.267 -7.572 1.00 0.00 C ATOM 726 C VAL A 49 -18.349 -2.401 -7.317 1.00 0.00 C ATOM 727 O VAL A 49 -17.549 -2.337 -6.383 1.00 0.00 O ATOM 728 CB VAL A 49 -18.544 0.013 -7.919 1.00 0.00 C ATOM 729 CG1 VAL A 49 -19.180 0.734 -9.099 1.00 0.00 C ATOM 730 CG2 VAL A 49 -18.444 0.935 -6.711 1.00 0.00 C ATOM 0 H VAL A 49 -20.217 -0.126 -6.048 1.00 0.00 H new ATOM 0 HA VAL A 49 -19.980 -1.515 -8.415 1.00 0.00 H new ATOM 0 HB VAL A 49 -17.533 -0.280 -8.203 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -18.608 1.633 -9.327 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -19.184 0.076 -9.968 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -20.204 1.010 -8.848 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -17.882 1.829 -6.981 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -19.445 1.219 -6.387 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -17.933 0.417 -5.899 1.00 0.00 H new ATOM 740 N GLN A 50 -18.419 -3.438 -8.150 1.00 0.00 N ATOM 741 CA GLN A 50 -17.537 -4.600 -8.021 1.00 0.00 C ATOM 742 C GLN A 50 -16.361 -4.303 -7.093 1.00 0.00 C ATOM 743 O GLN A 50 -15.372 -3.697 -7.508 1.00 0.00 O ATOM 744 CB GLN A 50 -17.011 -5.023 -9.394 1.00 0.00 C ATOM 745 CG GLN A 50 -18.096 -5.179 -10.447 1.00 0.00 C ATOM 746 CD GLN A 50 -17.699 -4.578 -11.781 1.00 0.00 C ATOM 747 OE1 GLN A 50 -17.004 -5.209 -12.577 1.00 0.00 O ATOM 748 NE2 GLN A 50 -18.140 -3.350 -12.032 1.00 0.00 N ATOM 0 H GLN A 50 -19.080 -3.498 -8.925 1.00 0.00 H new ATOM 0 HA GLN A 50 -18.121 -5.413 -7.589 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -16.287 -4.284 -9.739 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -16.478 -5.968 -9.293 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -18.319 -6.238 -10.581 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -19.011 -4.703 -10.095 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -18.714 -2.863 -11.343 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -17.905 -2.894 -12.913 1.00 0.00 H new ATOM 757 N LYS A 51 -16.475 -4.724 -5.836 1.00 0.00 N ATOM 758 CA LYS A 51 -15.416 -4.489 -4.861 1.00 0.00 C ATOM 759 C LYS A 51 -15.795 -5.037 -3.488 1.00 0.00 C ATOM 760 O LYS A 51 -16.969 -5.265 -3.200 1.00 0.00 O ATOM 761 CB LYS A 51 -15.128 -2.992 -4.757 1.00 0.00 C ATOM 762 CG LYS A 51 -13.807 -2.668 -4.082 1.00 0.00 C ATOM 763 CD LYS A 51 -13.161 -1.435 -4.693 1.00 0.00 C ATOM 764 CE LYS A 51 -11.870 -1.781 -5.415 1.00 0.00 C ATOM 765 NZ LYS A 51 -10.975 -2.628 -4.580 1.00 0.00 N ATOM 0 H LYS A 51 -17.284 -5.226 -5.471 1.00 0.00 H new ATOM 0 HA LYS A 51 -14.522 -5.012 -5.201 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -15.129 -2.561 -5.758 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -15.936 -2.514 -4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -13.971 -2.505 -3.017 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -13.131 -3.518 -4.174 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -13.855 -0.968 -5.391 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.956 -0.705 -3.910 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.102 -2.304 -6.343 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.350 -0.863 -5.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.983 -2.388 -4.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.176 -2.458 -3.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.140 -3.631 -4.801 1.00 0.00 H new ATOM 779 N ASN A 52 -14.790 -5.240 -2.641 1.00 0.00 N ATOM 780 CA ASN A 52 -15.017 -5.754 -1.296 1.00 0.00 C ATOM 781 C ASN A 52 -15.814 -4.754 -0.467 1.00 0.00 C ATOM 782 O ASN A 52 -15.642 -3.543 -0.605 1.00 0.00 O ATOM 783 CB ASN A 52 -13.683 -6.055 -0.610 1.00 0.00 C ATOM 784 CG ASN A 52 -13.191 -7.459 -0.898 1.00 0.00 C ATOM 785 OD1 ASN A 52 -13.942 -8.427 -0.778 1.00 0.00 O ATOM 786 ND2 ASN A 52 -11.924 -7.573 -1.280 1.00 0.00 N ATOM 0 H ASN A 52 -13.812 -5.056 -2.863 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.591 -6.677 -1.375 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.935 -5.335 -0.943 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -13.793 -5.925 0.467 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -11.340 -6.741 -1.365 1.00 0.00 H new ATOM 791 N VAL A 53 -16.689 -5.265 0.392 1.00 0.00 N ATOM 792 CA VAL A 53 -17.511 -4.409 1.238 1.00 0.00 C ATOM 793 C VAL A 53 -17.053 -4.465 2.692 1.00 0.00 C ATOM 794 O VAL A 53 -16.589 -5.501 3.168 1.00 0.00 O ATOM 795 CB VAL A 53 -18.998 -4.805 1.162 1.00 0.00 C ATOM 796 CG1 VAL A 53 -19.171 -6.294 1.418 1.00 0.00 C ATOM 797 CG2 VAL A 53 -19.816 -3.986 2.148 1.00 0.00 C ATOM 0 H VAL A 53 -16.847 -6.264 0.520 1.00 0.00 H new ATOM 0 HA VAL A 53 -17.394 -3.392 0.865 1.00 0.00 H new ATOM 0 HB VAL A 53 -19.362 -4.592 0.157 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -20.228 -6.553 1.360 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -18.617 -6.859 0.668 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -18.792 -6.539 2.410 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -20.864 -4.278 2.082 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -19.452 -4.166 3.160 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -19.719 -2.927 1.910 1.00 0.00 H new ATOM 807 N THR A 54 -17.187 -3.342 3.390 1.00 0.00 N ATOM 808 CA THR A 54 -16.788 -3.256 4.791 1.00 0.00 C ATOM 809 C THR A 54 -15.306 -3.574 4.960 1.00 0.00 C ATOM 810 O THR A 54 -14.773 -4.470 4.305 1.00 0.00 O ATOM 811 CB THR A 54 -17.627 -4.208 5.644 1.00 0.00 C ATOM 812 OG1 THR A 54 -18.897 -3.644 5.920 1.00 0.00 O ATOM 813 CG2 THR A 54 -16.980 -4.551 6.968 1.00 0.00 C ATOM 0 H THR A 54 -17.570 -2.477 3.008 1.00 0.00 H new ATOM 0 HA THR A 54 -16.960 -2.233 5.126 1.00 0.00 H new ATOM 0 HB THR A 54 -17.719 -5.121 5.055 1.00 0.00 H new ATOM 0 HG1 THR A 54 -19.420 -4.268 6.465 1.00 0.00 H new ATOM 0 HG21 THR A 54 -17.627 -5.230 7.524 1.00 0.00 H new ATOM 0 HG22 THR A 54 -16.018 -5.031 6.789 1.00 0.00 H new ATOM 0 HG23 THR A 54 -16.828 -3.639 7.546 1.00 0.00 H new ATOM 821 N SER A 55 -14.646 -2.833 5.844 1.00 0.00 N ATOM 822 CA SER A 55 -13.224 -3.034 6.102 1.00 0.00 C ATOM 823 C SER A 55 -12.635 -1.847 6.859 1.00 0.00 C ATOM 824 O SER A 55 -12.800 -0.696 6.453 1.00 0.00 O ATOM 825 CB SER A 55 -12.473 -3.241 4.786 1.00 0.00 C ATOM 826 OG SER A 55 -11.931 -4.547 4.707 1.00 0.00 O ATOM 0 H SER A 55 -15.073 -2.088 6.394 1.00 0.00 H new ATOM 0 HA SER A 55 -13.113 -3.925 6.720 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.149 -3.074 3.948 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.672 -2.506 4.701 1.00 0.00 H new ATOM 0 HG SER A 55 -12.644 -5.185 4.496 1.00 0.00 H new ATOM 832 N GLU A 56 -11.949 -2.134 7.963 1.00 0.00 N ATOM 833 CA GLU A 56 -11.337 -1.090 8.780 1.00 0.00 C ATOM 834 C GLU A 56 -9.943 -0.736 8.268 1.00 0.00 C ATOM 835 O GLU A 56 -9.520 -1.214 7.216 1.00 0.00 O ATOM 836 CB GLU A 56 -11.256 -1.537 10.241 1.00 0.00 C ATOM 837 CG GLU A 56 -12.552 -1.341 11.008 1.00 0.00 C ATOM 838 CD GLU A 56 -12.385 -0.431 12.208 1.00 0.00 C ATOM 839 OE1 GLU A 56 -11.997 0.741 12.015 1.00 0.00 O ATOM 840 OE2 GLU A 56 -12.640 -0.889 13.342 1.00 0.00 O ATOM 0 H GLU A 56 -11.803 -3.081 8.312 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.964 -0.201 8.711 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.979 -2.591 10.275 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.461 -0.982 10.739 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.305 -0.922 10.341 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.924 -2.310 11.340 1.00 0.00 H new ATOM 847 N SER A 57 -9.239 0.107 9.024 1.00 0.00 N ATOM 848 CA SER A 57 -7.890 0.536 8.659 1.00 0.00 C ATOM 849 C SER A 57 -7.227 -0.459 7.714 1.00 0.00 C ATOM 850 O SER A 57 -7.066 -1.633 8.046 1.00 0.00 O ATOM 851 CB SER A 57 -7.033 0.710 9.914 1.00 0.00 C ATOM 852 OG SER A 57 -6.813 2.081 10.194 1.00 0.00 O ATOM 0 H SER A 57 -9.583 0.507 9.897 1.00 0.00 H new ATOM 0 HA SER A 57 -7.973 1.492 8.142 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.526 0.236 10.763 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.077 0.205 9.778 1.00 0.00 H new ATOM 0 HG SER A 57 -6.264 2.166 11.002 1.00 0.00 H new ATOM 858 N THR A 58 -6.845 0.021 6.534 1.00 0.00 N ATOM 859 CA THR A 58 -6.200 -0.826 5.538 1.00 0.00 C ATOM 860 C THR A 58 -4.738 -0.433 5.351 1.00 0.00 C ATOM 861 O THR A 58 -4.324 0.660 5.737 1.00 0.00 O ATOM 862 CB THR A 58 -6.939 -0.728 4.202 1.00 0.00 C ATOM 863 OG1 THR A 58 -7.735 0.444 4.155 1.00 0.00 O ATOM 864 CG2 THR A 58 -7.845 -1.909 3.932 1.00 0.00 C ATOM 0 H THR A 58 -6.971 0.991 6.245 1.00 0.00 H new ATOM 0 HA THR A 58 -6.238 -1.855 5.895 1.00 0.00 H new ATOM 0 HB THR A 58 -6.159 -0.707 3.441 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.198 0.490 3.293 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.339 -1.776 2.969 1.00 0.00 H new ATOM 0 HG22 THR A 58 -7.254 -2.824 3.914 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.597 -1.978 4.718 1.00 0.00 H new ATOM 872 N CYS A 59 -3.962 -1.331 4.754 1.00 0.00 N ATOM 873 CA CYS A 59 -2.547 -1.078 4.513 1.00 0.00 C ATOM 874 C CYS A 59 -2.155 -1.493 3.099 1.00 0.00 C ATOM 875 O CYS A 59 -2.410 -2.622 2.678 1.00 0.00 O ATOM 876 CB CYS A 59 -1.688 -1.826 5.535 1.00 0.00 C ATOM 877 SG CYS A 59 -2.358 -3.449 6.019 1.00 0.00 S ATOM 0 H CYS A 59 -4.289 -2.240 4.428 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.372 -0.007 4.621 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.689 -1.965 5.122 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.581 -1.208 6.426 1.00 0.00 H new ATOM 882 N CYS A 60 -1.536 -0.571 2.370 1.00 0.00 N ATOM 883 CA CYS A 60 -1.109 -0.836 1.000 1.00 0.00 C ATOM 884 C CYS A 60 0.046 -1.830 0.966 1.00 0.00 C ATOM 885 O CYS A 60 1.188 -1.459 0.690 1.00 0.00 O ATOM 886 CB CYS A 60 -0.692 0.465 0.316 1.00 0.00 C ATOM 887 SG CYS A 60 -1.801 1.869 0.654 1.00 0.00 S ATOM 0 H CYS A 60 -1.318 0.368 2.705 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.952 -1.271 0.464 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.316 0.726 0.638 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.650 0.300 -0.761 1.00 0.00 H new ATOM 892 N VAL A 61 -0.256 -3.093 1.245 1.00 0.00 N ATOM 893 CA VAL A 61 0.759 -4.138 1.242 1.00 0.00 C ATOM 894 C VAL A 61 0.977 -4.688 -0.164 1.00 0.00 C ATOM 895 O VAL A 61 0.426 -5.728 -0.524 1.00 0.00 O ATOM 896 CB VAL A 61 0.378 -5.294 2.182 1.00 0.00 C ATOM 897 CG1 VAL A 61 1.606 -6.114 2.546 1.00 0.00 C ATOM 898 CG2 VAL A 61 -0.306 -4.759 3.431 1.00 0.00 C ATOM 0 H VAL A 61 -1.195 -3.417 1.476 1.00 0.00 H new ATOM 0 HA VAL A 61 1.683 -3.683 1.598 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.323 -5.947 1.662 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.316 -6.927 3.212 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.049 -6.527 1.640 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.334 -5.476 3.048 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.569 -5.590 4.086 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.370 -4.084 3.955 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.210 -4.220 3.148 1.00 0.00 H new ATOM 908 N ALA A 62 1.788 -3.977 -0.946 1.00 0.00 N ATOM 909 CA ALA A 62 2.103 -4.368 -2.320 1.00 0.00 C ATOM 910 C ALA A 62 1.391 -5.648 -2.739 1.00 0.00 C ATOM 911 O ALA A 62 1.692 -6.730 -2.236 1.00 0.00 O ATOM 912 CB ALA A 62 3.605 -4.539 -2.476 1.00 0.00 C ATOM 0 H ALA A 62 2.245 -3.116 -0.646 1.00 0.00 H new ATOM 0 HA ALA A 62 1.748 -3.571 -2.973 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.834 -4.830 -3.501 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.104 -3.598 -2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.956 -5.312 -1.792 1.00 0.00 H new ATOM 918 N LYS A 63 0.471 -5.527 -3.692 1.00 0.00 N ATOM 919 CA LYS A 63 -0.244 -6.682 -4.203 1.00 0.00 C ATOM 920 C LYS A 63 0.777 -7.689 -4.681 1.00 0.00 C ATOM 921 O LYS A 63 0.654 -8.894 -4.463 1.00 0.00 O ATOM 922 CB LYS A 63 -1.153 -6.272 -5.360 1.00 0.00 C ATOM 923 CG LYS A 63 -2.321 -7.216 -5.578 1.00 0.00 C ATOM 924 CD LYS A 63 -3.301 -6.659 -6.598 1.00 0.00 C ATOM 925 CE LYS A 63 -4.663 -6.390 -5.977 1.00 0.00 C ATOM 926 NZ LYS A 63 -5.778 -6.784 -6.884 1.00 0.00 N ATOM 0 H LYS A 63 0.207 -4.641 -4.122 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.866 -7.114 -3.419 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.537 -5.269 -5.172 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.562 -6.221 -6.275 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.951 -8.183 -5.917 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.835 -7.386 -4.632 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.903 -5.735 -7.019 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.409 -7.364 -7.422 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.748 -6.938 -5.039 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.749 -5.330 -5.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.688 -6.584 -6.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.713 -6.243 -7.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.712 -7.801 -7.094 1.00 0.00 H new ATOM 940 N SER A 64 1.810 -7.151 -5.309 1.00 0.00 N ATOM 941 CA SER A 64 2.914 -7.939 -5.811 1.00 0.00 C ATOM 942 C SER A 64 4.214 -7.324 -5.322 1.00 0.00 C ATOM 943 O SER A 64 4.197 -6.292 -4.651 1.00 0.00 O ATOM 944 CB SER A 64 2.896 -7.997 -7.341 1.00 0.00 C ATOM 945 OG SER A 64 1.777 -8.727 -7.812 1.00 0.00 O ATOM 0 H SER A 64 1.903 -6.150 -5.484 1.00 0.00 H new ATOM 0 HA SER A 64 2.824 -8.960 -5.441 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.870 -6.985 -7.746 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.814 -8.461 -7.701 1.00 0.00 H new ATOM 0 HG SER A 64 1.789 -8.747 -8.792 1.00 0.00 H new ATOM 951 N TYR A 65 5.336 -7.942 -5.644 1.00 0.00 N ATOM 952 CA TYR A 65 6.616 -7.410 -5.206 1.00 0.00 C ATOM 953 C TYR A 65 7.769 -7.946 -6.023 1.00 0.00 C ATOM 954 O TYR A 65 7.720 -9.059 -6.548 1.00 0.00 O ATOM 955 CB TYR A 65 6.869 -7.753 -3.739 1.00 0.00 C ATOM 956 CG TYR A 65 6.438 -9.147 -3.349 1.00 0.00 C ATOM 957 CD1 TYR A 65 7.298 -10.227 -3.504 1.00 0.00 C ATOM 958 CD2 TYR A 65 5.179 -9.382 -2.814 1.00 0.00 C ATOM 959 CE1 TYR A 65 6.914 -11.502 -3.139 1.00 0.00 C ATOM 960 CE2 TYR A 65 4.787 -10.654 -2.447 1.00 0.00 C ATOM 961 CZ TYR A 65 5.658 -11.711 -2.611 1.00 0.00 C ATOM 962 OH TYR A 65 5.272 -12.979 -2.244 1.00 0.00 O ATOM 0 H TYR A 65 5.389 -8.797 -6.197 1.00 0.00 H new ATOM 0 HA TYR A 65 6.561 -6.330 -5.341 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.933 -7.641 -3.529 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.343 -7.033 -3.113 1.00 0.00 H new ATOM 0 HD1 TYR A 65 8.283 -10.067 -3.917 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.495 -8.557 -2.683 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.594 -12.331 -3.267 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.803 -10.821 -2.034 1.00 0.00 H new ATOM 0 HH TYR A 65 4.359 -12.953 -1.889 1.00 0.00 H new ATOM 972 N ASN A 66 8.830 -7.161 -6.072 1.00 0.00 N ATOM 973 CA ASN A 66 10.042 -7.574 -6.769 1.00 0.00 C ATOM 974 C ASN A 66 11.202 -7.423 -5.814 1.00 0.00 C ATOM 975 O ASN A 66 12.343 -7.151 -6.190 1.00 0.00 O ATOM 976 CB ASN A 66 10.261 -6.765 -8.042 1.00 0.00 C ATOM 977 CG ASN A 66 10.338 -7.637 -9.279 1.00 0.00 C ATOM 978 OD1 ASN A 66 9.479 -7.566 -10.159 1.00 0.00 O ATOM 979 ND2 ASN A 66 11.372 -8.467 -9.354 1.00 0.00 N ATOM 0 H ASN A 66 8.881 -6.238 -5.641 1.00 0.00 H new ATOM 0 HA ASN A 66 9.950 -8.614 -7.082 1.00 0.00 H new ATOM 0 HB2 ASN A 66 9.448 -6.048 -8.157 1.00 0.00 H new ATOM 0 HB3 ASN A 66 11.182 -6.190 -7.949 1.00 0.00 H new ATOM 0 HD21 ASN A 66 11.478 -9.078 -10.164 1.00 0.00 H new ATOM 0 HD22 ASN A 66 12.061 -8.493 -8.602 1.00 0.00 H new ATOM 986 N ARG A 67 10.839 -7.605 -4.563 1.00 0.00 N ATOM 987 CA ARG A 67 11.740 -7.515 -3.422 1.00 0.00 C ATOM 988 C ARG A 67 13.199 -7.428 -3.836 1.00 0.00 C ATOM 989 O ARG A 67 13.673 -8.174 -4.693 1.00 0.00 O ATOM 990 CB ARG A 67 11.517 -8.716 -2.504 1.00 0.00 C ATOM 991 CG ARG A 67 11.306 -10.004 -3.267 1.00 0.00 C ATOM 992 CD ARG A 67 11.836 -11.208 -2.504 1.00 0.00 C ATOM 993 NE ARG A 67 13.281 -11.357 -2.651 1.00 0.00 N ATOM 994 CZ ARG A 67 13.983 -12.324 -2.071 1.00 0.00 C ATOM 995 NH1 ARG A 67 13.375 -13.225 -1.313 1.00 0.00 N ATOM 996 NH2 ARG A 67 15.295 -12.391 -2.251 1.00 0.00 N ATOM 0 H ARG A 67 9.879 -7.827 -4.298 1.00 0.00 H new ATOM 0 HA ARG A 67 11.511 -6.591 -2.890 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.377 -8.827 -1.843 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.650 -8.528 -1.871 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.243 -10.139 -3.465 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.804 -9.939 -4.234 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.588 -11.105 -1.448 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.340 -12.111 -2.862 1.00 0.00 H new ATOM 0 HE ARG A 67 13.779 -10.681 -3.231 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.366 -13.177 -1.174 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.916 -13.967 -0.869 1.00 0.00 H new ATOM 0 HH21 ARG A 67 15.766 -11.700 -2.835 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.834 -13.134 -1.805 1.00 0.00 H new ATOM 1010 N VAL A 68 13.899 -6.504 -3.198 1.00 0.00 N ATOM 1011 CA VAL A 68 15.312 -6.278 -3.458 1.00 0.00 C ATOM 1012 C VAL A 68 16.042 -5.927 -2.173 1.00 0.00 C ATOM 1013 O VAL A 68 16.841 -4.993 -2.141 1.00 0.00 O ATOM 1014 CB VAL A 68 15.529 -5.134 -4.475 1.00 0.00 C ATOM 1015 CG1 VAL A 68 14.528 -5.222 -5.618 1.00 0.00 C ATOM 1016 CG2 VAL A 68 15.430 -3.775 -3.788 1.00 0.00 C ATOM 0 H VAL A 68 13.504 -5.890 -2.486 1.00 0.00 H new ATOM 0 HA VAL A 68 15.710 -7.203 -3.874 1.00 0.00 H new ATOM 0 HB VAL A 68 16.531 -5.242 -4.890 1.00 0.00 H new ATOM 0 HG11 VAL A 68 14.703 -4.406 -6.319 1.00 0.00 H new ATOM 0 HG12 VAL A 68 14.648 -6.175 -6.134 1.00 0.00 H new ATOM 0 HG13 VAL A 68 13.515 -5.149 -5.221 1.00 0.00 H new ATOM 0 HG21 VAL A 68 15.586 -2.984 -4.522 1.00 0.00 H new ATOM 0 HG22 VAL A 68 14.442 -3.665 -3.340 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.191 -3.704 -3.011 1.00 0.00 H new ATOM 1026 N THR A 69 15.753 -6.677 -1.119 1.00 0.00 N ATOM 1027 CA THR A 69 16.369 -6.444 0.186 1.00 0.00 C ATOM 1028 C THR A 69 17.475 -5.401 0.083 1.00 0.00 C ATOM 1029 O THR A 69 18.452 -5.591 -0.643 1.00 0.00 O ATOM 1030 CB THR A 69 16.943 -7.733 0.760 1.00 0.00 C ATOM 1031 OG1 THR A 69 15.914 -8.653 1.079 1.00 0.00 O ATOM 1032 CG2 THR A 69 17.756 -7.492 2.011 1.00 0.00 C ATOM 0 H THR A 69 15.094 -7.455 -1.139 1.00 0.00 H new ATOM 0 HA THR A 69 15.590 -6.077 0.854 1.00 0.00 H new ATOM 0 HB THR A 69 17.591 -8.142 -0.015 1.00 0.00 H new ATOM 0 HG1 THR A 69 16.309 -9.472 1.444 1.00 0.00 H new ATOM 0 HG21 THR A 69 18.143 -8.441 2.382 1.00 0.00 H new ATOM 0 HG22 THR A 69 18.587 -6.825 1.782 1.00 0.00 H new ATOM 0 HG23 THR A 69 17.124 -7.035 2.773 1.00 0.00 H new ATOM 1040 N VAL A 70 17.315 -4.297 0.795 1.00 0.00 N ATOM 1041 CA VAL A 70 18.303 -3.228 0.753 1.00 0.00 C ATOM 1042 C VAL A 70 18.853 -2.880 2.121 1.00 0.00 C ATOM 1043 O VAL A 70 18.597 -3.558 3.113 1.00 0.00 O ATOM 1044 CB VAL A 70 17.733 -1.942 0.123 1.00 0.00 C ATOM 1045 CG1 VAL A 70 16.975 -2.265 -1.155 1.00 0.00 C ATOM 1046 CG2 VAL A 70 16.830 -1.203 1.098 1.00 0.00 C ATOM 0 H VAL A 70 16.517 -4.117 1.405 1.00 0.00 H new ATOM 0 HA VAL A 70 19.112 -3.618 0.135 1.00 0.00 H new ATOM 0 HB VAL A 70 18.572 -1.291 -0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 70 16.580 -1.345 -1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 70 17.649 -2.739 -1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 70 16.152 -2.943 -0.928 1.00 0.00 H new ATOM 0 HG21 VAL A 70 16.444 -0.301 0.624 1.00 0.00 H new ATOM 0 HG22 VAL A 70 15.998 -1.847 1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 70 17.400 -0.931 1.987 1.00 0.00 H new ATOM 1056 N MET A 71 19.614 -1.802 2.142 1.00 0.00 N ATOM 1057 CA MET A 71 20.228 -1.304 3.356 1.00 0.00 C ATOM 1058 C MET A 71 20.666 -2.432 4.275 1.00 0.00 C ATOM 1059 O MET A 71 21.444 -3.304 3.888 1.00 0.00 O ATOM 1060 CB MET A 71 19.265 -0.369 4.082 1.00 0.00 C ATOM 1061 CG MET A 71 19.081 0.948 3.367 1.00 0.00 C ATOM 1062 SD MET A 71 18.172 2.160 4.343 1.00 0.00 S ATOM 1063 CE MET A 71 17.796 3.387 3.093 1.00 0.00 C ATOM 0 H MET A 71 19.824 -1.246 1.313 1.00 0.00 H new ATOM 0 HA MET A 71 21.124 -0.751 3.073 1.00 0.00 H new ATOM 0 HB2 MET A 71 18.297 -0.860 4.185 1.00 0.00 H new ATOM 0 HB3 MET A 71 19.637 -0.182 5.089 1.00 0.00 H new ATOM 0 HG2 MET A 71 20.059 1.356 3.111 1.00 0.00 H new ATOM 0 HG3 MET A 71 18.553 0.775 2.429 1.00 0.00 H new ATOM 0 HE1 MET A 71 17.144 4.151 3.517 1.00 0.00 H new ATOM 0 HE2 MET A 71 18.720 3.850 2.748 1.00 0.00 H new ATOM 0 HE3 MET A 71 17.294 2.908 2.252 1.00 0.00 H new ATOM 1073 N GLY A 72 20.168 -2.393 5.497 1.00 0.00 N ATOM 1074 CA GLY A 72 20.513 -3.394 6.476 1.00 0.00 C ATOM 1075 C GLY A 72 19.634 -4.624 6.388 1.00 0.00 C ATOM 1076 O GLY A 72 19.262 -5.206 7.407 1.00 0.00 O ATOM 0 H GLY A 72 19.523 -1.676 5.831 1.00 0.00 H new ATOM 0 HA2 GLY A 72 21.554 -3.686 6.340 1.00 0.00 H new ATOM 0 HA3 GLY A 72 20.430 -2.964 7.474 1.00 0.00 H new ATOM 1080 N GLY A 73 19.300 -5.017 5.166 1.00 0.00 N ATOM 1081 CA GLY A 73 18.457 -6.181 4.963 1.00 0.00 C ATOM 1082 C GLY A 73 17.016 -5.796 4.709 1.00 0.00 C ATOM 1083 O GLY A 73 16.100 -6.590 4.925 1.00 0.00 O ATOM 0 H GLY A 73 19.598 -4.550 4.309 1.00 0.00 H new ATOM 0 HA2 GLY A 73 18.833 -6.759 4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 73 18.511 -6.826 5.840 1.00 0.00 H new ATOM 1087 N PHE A 74 16.822 -4.566 4.249 1.00 0.00 N ATOM 1088 CA PHE A 74 15.494 -4.050 3.956 1.00 0.00 C ATOM 1089 C PHE A 74 14.704 -5.028 3.100 1.00 0.00 C ATOM 1090 O PHE A 74 15.182 -6.116 2.783 1.00 0.00 O ATOM 1091 CB PHE A 74 15.609 -2.700 3.247 1.00 0.00 C ATOM 1092 CG PHE A 74 15.543 -1.531 4.188 1.00 0.00 C ATOM 1093 CD1 PHE A 74 16.387 -1.463 5.286 1.00 0.00 C ATOM 1094 CD2 PHE A 74 14.638 -0.502 3.979 1.00 0.00 C ATOM 1095 CE1 PHE A 74 16.330 -0.393 6.158 1.00 0.00 C ATOM 1096 CE2 PHE A 74 14.577 0.572 4.848 1.00 0.00 C ATOM 1097 CZ PHE A 74 15.424 0.627 5.938 1.00 0.00 C ATOM 0 H PHE A 74 17.576 -3.903 4.070 1.00 0.00 H new ATOM 0 HA PHE A 74 14.959 -3.919 4.897 1.00 0.00 H new ATOM 0 HB2 PHE A 74 16.550 -2.664 2.698 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.808 -2.613 2.513 1.00 0.00 H new ATOM 0 HD1 PHE A 74 17.098 -2.257 5.462 1.00 0.00 H new ATOM 0 HD2 PHE A 74 13.973 -0.539 3.128 1.00 0.00 H new ATOM 0 HE1 PHE A 74 16.992 -0.354 7.010 1.00 0.00 H new ATOM 0 HE2 PHE A 74 13.867 1.368 4.675 1.00 0.00 H new ATOM 0 HZ PHE A 74 15.378 1.466 6.617 1.00 0.00 H new ATOM 1107 N LYS A 75 13.491 -4.632 2.734 1.00 0.00 N ATOM 1108 CA LYS A 75 12.622 -5.469 1.918 1.00 0.00 C ATOM 1109 C LYS A 75 11.543 -4.625 1.247 1.00 0.00 C ATOM 1110 O LYS A 75 10.430 -4.498 1.757 1.00 0.00 O ATOM 1111 CB LYS A 75 11.980 -6.559 2.780 1.00 0.00 C ATOM 1112 CG LYS A 75 12.988 -7.358 3.589 1.00 0.00 C ATOM 1113 CD LYS A 75 12.399 -8.667 4.081 1.00 0.00 C ATOM 1114 CE LYS A 75 10.963 -8.497 4.547 1.00 0.00 C ATOM 1115 NZ LYS A 75 10.364 -9.792 4.974 1.00 0.00 N ATOM 0 H LYS A 75 13.086 -3.732 2.991 1.00 0.00 H new ATOM 0 HA LYS A 75 13.224 -5.941 1.142 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.262 -6.099 3.459 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.420 -7.238 2.137 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.867 -7.561 2.977 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.323 -6.766 4.441 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.437 -9.407 3.281 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.004 -9.053 4.901 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.931 -7.791 5.376 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.367 -8.069 3.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.384 -9.635 5.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.371 -10.458 4.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.918 -10.188 5.760 1.00 0.00 H new ATOM 1129 N VAL A 76 11.888 -4.047 0.102 1.00 0.00 N ATOM 1130 CA VAL A 76 10.964 -3.205 -0.654 1.00 0.00 C ATOM 1131 C VAL A 76 10.055 -4.030 -1.502 1.00 0.00 C ATOM 1132 O VAL A 76 9.319 -3.505 -2.337 1.00 0.00 O ATOM 1133 CB VAL A 76 11.731 -2.273 -1.603 1.00 0.00 C ATOM 1134 CG1 VAL A 76 12.682 -1.385 -0.816 1.00 0.00 C ATOM 1135 CG2 VAL A 76 12.483 -3.157 -2.583 1.00 0.00 C ATOM 0 H VAL A 76 12.808 -4.147 -0.327 1.00 0.00 H new ATOM 0 HA VAL A 76 10.392 -2.634 0.078 1.00 0.00 H new ATOM 0 HB VAL A 76 11.052 -1.611 -2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.219 -0.730 -1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.114 -0.782 -0.107 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.395 -2.006 -0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.044 -2.533 -3.279 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.172 -3.802 -2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.773 -3.771 -3.137 1.00 0.00 H new ATOM 1145 N GLU A 77 10.134 -5.317 -1.300 1.00 0.00 N ATOM 1146 CA GLU A 77 9.335 -6.243 -2.087 1.00 0.00 C ATOM 1147 C GLU A 77 9.039 -5.555 -3.401 1.00 0.00 C ATOM 1148 O GLU A 77 7.902 -5.530 -3.864 1.00 0.00 O ATOM 1149 CB GLU A 77 8.038 -6.577 -1.348 1.00 0.00 C ATOM 1150 CG GLU A 77 7.785 -8.063 -1.196 1.00 0.00 C ATOM 1151 CD GLU A 77 8.294 -8.610 0.123 1.00 0.00 C ATOM 1152 OE1 GLU A 77 9.298 -8.076 0.638 1.00 0.00 O ATOM 1153 OE2 GLU A 77 7.689 -9.573 0.639 1.00 0.00 O ATOM 0 H GLU A 77 10.737 -5.756 -0.604 1.00 0.00 H new ATOM 0 HA GLU A 77 9.866 -7.180 -2.254 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.067 -6.120 -0.359 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.201 -6.128 -1.882 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.715 -8.256 -1.276 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.267 -8.595 -2.016 1.00 0.00 H new ATOM 1160 N ASN A 78 10.082 -4.907 -3.937 1.00 0.00 N ATOM 1161 CA ASN A 78 9.949 -4.090 -5.133 1.00 0.00 C ATOM 1162 C ASN A 78 8.504 -4.046 -5.521 1.00 0.00 C ATOM 1163 O ASN A 78 8.088 -4.640 -6.516 1.00 0.00 O ATOM 1164 CB ASN A 78 10.753 -4.559 -6.325 1.00 0.00 C ATOM 1165 CG ASN A 78 10.501 -3.615 -7.481 1.00 0.00 C ATOM 1166 OD1 ASN A 78 9.412 -3.059 -7.602 1.00 0.00 O ATOM 1167 ND2 ASN A 78 11.464 -3.442 -8.358 1.00 0.00 N ATOM 0 H ASN A 78 11.027 -4.938 -3.554 1.00 0.00 H new ATOM 0 HA ASN A 78 10.347 -3.110 -4.871 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.815 -4.581 -6.080 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.467 -5.575 -6.597 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.359 -3.916 -8.233 1.00 0.00 H new ATOM 1172 N HIS A 79 7.733 -3.388 -4.698 1.00 0.00 N ATOM 1173 CA HIS A 79 6.323 -3.324 -4.926 1.00 0.00 C ATOM 1174 C HIS A 79 6.016 -2.968 -6.353 1.00 0.00 C ATOM 1175 O HIS A 79 6.286 -1.871 -6.819 1.00 0.00 O ATOM 1176 CB HIS A 79 5.659 -2.381 -3.931 1.00 0.00 C ATOM 1177 CG HIS A 79 5.972 -2.814 -2.548 1.00 0.00 C ATOM 1178 ND1 HIS A 79 5.613 -2.164 -1.394 1.00 0.00 N ATOM 1179 CD2 HIS A 79 6.660 -3.899 -2.171 1.00 0.00 C ATOM 1180 CE1 HIS A 79 6.095 -2.870 -0.365 1.00 0.00 C ATOM 1181 NE2 HIS A 79 6.742 -3.941 -0.784 1.00 0.00 N ATOM 0 H HIS A 79 8.059 -2.892 -3.869 1.00 0.00 H new ATOM 0 HA HIS A 79 5.901 -4.315 -4.759 1.00 0.00 H new ATOM 0 HB2 HIS A 79 6.010 -1.362 -4.091 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.580 -2.375 -4.085 1.00 0.00 H new ATOM 0 HD2 HIS A 79 7.086 -4.630 -2.842 1.00 0.00 H new ATOM 0 HE1 HIS A 79 5.971 -2.599 0.673 1.00 0.00 H new ATOM 0 HE2 HIS A 79 7.204 -4.648 -0.212 1.00 0.00 H new ATOM 1189 N THR A 80 5.454 -3.932 -7.037 1.00 0.00 N ATOM 1190 CA THR A 80 5.082 -3.772 -8.428 1.00 0.00 C ATOM 1191 C THR A 80 3.574 -3.640 -8.523 1.00 0.00 C ATOM 1192 O THR A 80 3.023 -3.257 -9.555 1.00 0.00 O ATOM 1193 CB THR A 80 5.595 -4.958 -9.232 1.00 0.00 C ATOM 1194 OG1 THR A 80 4.618 -5.981 -9.314 1.00 0.00 O ATOM 1195 CG2 THR A 80 6.845 -5.549 -8.621 1.00 0.00 C ATOM 0 H THR A 80 5.240 -4.851 -6.650 1.00 0.00 H new ATOM 0 HA THR A 80 5.532 -2.870 -8.843 1.00 0.00 H new ATOM 0 HB THR A 80 5.822 -4.578 -10.228 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.972 -6.730 -9.837 1.00 0.00 H new ATOM 0 HG21 THR A 80 7.180 -6.393 -9.223 1.00 0.00 H new ATOM 0 HG22 THR A 80 7.628 -4.791 -8.590 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.629 -5.889 -7.608 1.00 0.00 H new ATOM 1203 N ALA A 81 2.922 -3.941 -7.406 1.00 0.00 N ATOM 1204 CA ALA A 81 1.474 -3.844 -7.300 1.00 0.00 C ATOM 1205 C ALA A 81 1.084 -3.557 -5.856 1.00 0.00 C ATOM 1206 O ALA A 81 1.694 -4.091 -4.932 1.00 0.00 O ATOM 1207 CB ALA A 81 0.813 -5.122 -7.793 1.00 0.00 C ATOM 0 H ALA A 81 3.382 -4.258 -6.552 1.00 0.00 H new ATOM 0 HA ALA A 81 1.127 -3.024 -7.929 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.269 -5.029 -7.705 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.079 -5.290 -8.836 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.155 -5.964 -7.191 1.00 0.00 H new ATOM 1213 N CYS A 82 0.081 -2.706 -5.658 1.00 0.00 N ATOM 1214 CA CYS A 82 -0.365 -2.358 -4.310 1.00 0.00 C ATOM 1215 C CYS A 82 -1.853 -2.632 -4.131 1.00 0.00 C ATOM 1216 O CYS A 82 -2.588 -2.798 -5.104 1.00 0.00 O ATOM 1217 CB CYS A 82 -0.084 -0.885 -4.010 1.00 0.00 C ATOM 1218 SG CYS A 82 1.684 -0.467 -3.937 1.00 0.00 S ATOM 0 H CYS A 82 -0.436 -2.247 -6.408 1.00 0.00 H new ATOM 0 HA CYS A 82 0.194 -2.983 -3.613 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -0.560 -0.272 -4.775 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.548 -0.624 -3.059 1.00 0.00 H new ATOM 1223 N HIS A 83 -2.289 -2.665 -2.877 1.00 0.00 N ATOM 1224 CA HIS A 83 -3.690 -2.903 -2.556 1.00 0.00 C ATOM 1225 C HIS A 83 -3.934 -2.746 -1.061 1.00 0.00 C ATOM 1226 O HIS A 83 -3.480 -3.558 -0.255 1.00 0.00 O ATOM 1227 CB HIS A 83 -4.120 -4.296 -3.012 1.00 0.00 C ATOM 1228 CG HIS A 83 -3.430 -5.405 -2.284 1.00 0.00 C ATOM 1229 ND1 HIS A 83 -4.108 -6.410 -1.626 1.00 0.00 N ATOM 1230 CD2 HIS A 83 -2.113 -5.668 -2.112 1.00 0.00 C ATOM 1231 CE1 HIS A 83 -3.238 -7.241 -1.080 1.00 0.00 C ATOM 1232 NE2 HIS A 83 -2.022 -6.813 -1.361 1.00 0.00 N ATOM 0 H HIS A 83 -1.689 -2.529 -2.063 1.00 0.00 H new ATOM 0 HA HIS A 83 -4.287 -2.162 -3.087 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -5.197 -4.398 -2.875 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -3.924 -4.396 -4.079 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.288 -5.085 -2.494 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.481 -8.121 -0.502 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.154 -7.261 -1.067 1.00 0.00 H new ATOM 1241 N CYS A 84 -4.654 -1.692 -0.700 1.00 0.00 N ATOM 1242 CA CYS A 84 -4.962 -1.420 0.701 1.00 0.00 C ATOM 1243 C CYS A 84 -5.788 -2.552 1.300 1.00 0.00 C ATOM 1244 O CYS A 84 -6.887 -2.846 0.831 1.00 0.00 O ATOM 1245 CB CYS A 84 -5.714 -0.091 0.851 1.00 0.00 C ATOM 1246 SG CYS A 84 -6.522 0.503 -0.671 1.00 0.00 S ATOM 0 H CYS A 84 -5.036 -1.011 -1.356 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.017 -1.348 1.240 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -6.470 -0.203 1.628 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.014 0.670 1.195 1.00 0.00 H new ATOM 1251 N SER A 85 -5.251 -3.188 2.337 1.00 0.00 N ATOM 1252 CA SER A 85 -5.945 -4.290 2.992 1.00 0.00 C ATOM 1253 C SER A 85 -5.246 -4.689 4.287 1.00 0.00 C ATOM 1254 O SER A 85 -4.021 -4.791 4.337 1.00 0.00 O ATOM 1255 CB SER A 85 -6.021 -5.497 2.055 1.00 0.00 C ATOM 1256 OG SER A 85 -4.765 -5.755 1.453 1.00 0.00 O ATOM 0 H SER A 85 -4.342 -2.960 2.740 1.00 0.00 H new ATOM 0 HA SER A 85 -6.953 -3.954 3.234 1.00 0.00 H new ATOM 0 HB2 SER A 85 -6.347 -6.375 2.613 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.768 -5.315 1.282 1.00 0.00 H new ATOM 0 HG SER A 85 -4.876 -5.827 0.482 1.00 0.00 H new ATOM 1262 N THR A 86 -6.035 -4.922 5.331 1.00 0.00 N ATOM 1263 CA THR A 86 -5.494 -5.319 6.624 1.00 0.00 C ATOM 1264 C THR A 86 -4.301 -6.252 6.444 1.00 0.00 C ATOM 1265 O THR A 86 -4.339 -7.169 5.624 1.00 0.00 O ATOM 1266 CB THR A 86 -6.573 -6.011 7.458 1.00 0.00 C ATOM 1267 OG1 THR A 86 -5.992 -6.763 8.508 1.00 0.00 O ATOM 1268 CG2 THR A 86 -7.443 -6.948 6.647 1.00 0.00 C ATOM 0 H THR A 86 -7.052 -4.842 5.306 1.00 0.00 H new ATOM 0 HA THR A 86 -5.160 -4.422 7.145 1.00 0.00 H new ATOM 0 HB THR A 86 -7.197 -5.207 7.849 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.699 -7.196 9.030 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.188 -7.407 7.297 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.945 -6.387 5.859 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.823 -7.725 6.201 1.00 0.00 H new ATOM 1276 N CYS A 87 -3.245 -6.014 7.213 1.00 0.00 N ATOM 1277 CA CYS A 87 -2.046 -6.839 7.132 1.00 0.00 C ATOM 1278 C CYS A 87 -1.714 -7.453 8.487 1.00 0.00 C ATOM 1279 O CYS A 87 -2.077 -6.914 9.533 1.00 0.00 O ATOM 1280 CB CYS A 87 -0.860 -6.015 6.628 1.00 0.00 C ATOM 1281 SG CYS A 87 -0.885 -4.270 7.149 1.00 0.00 S ATOM 0 H CYS A 87 -3.195 -5.259 7.897 1.00 0.00 H new ATOM 0 HA CYS A 87 -2.242 -7.645 6.425 1.00 0.00 H new ATOM 0 HB2 CYS A 87 0.063 -6.474 6.981 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -0.840 -6.057 5.539 1.00 0.00 H new ATOM 1286 N TYR A 88 -1.022 -8.586 8.458 1.00 0.00 N ATOM 1287 CA TYR A 88 -0.637 -9.280 9.679 1.00 0.00 C ATOM 1288 C TYR A 88 0.832 -9.035 10.001 1.00 0.00 C ATOM 1289 O TYR A 88 1.595 -8.570 9.154 1.00 0.00 O ATOM 1290 CB TYR A 88 -0.891 -10.779 9.530 1.00 0.00 C ATOM 1291 CG TYR A 88 0.011 -11.440 8.514 1.00 0.00 C ATOM 1292 CD1 TYR A 88 1.382 -11.526 8.726 1.00 0.00 C ATOM 1293 CD2 TYR A 88 -0.507 -11.977 7.343 1.00 0.00 C ATOM 1294 CE1 TYR A 88 2.210 -12.127 7.798 1.00 0.00 C ATOM 1295 CE2 TYR A 88 0.314 -12.580 6.411 1.00 0.00 C ATOM 1296 CZ TYR A 88 1.671 -12.653 6.643 1.00 0.00 C ATOM 1297 OH TYR A 88 2.491 -13.253 5.716 1.00 0.00 O ATOM 0 H TYR A 88 -0.716 -9.044 7.599 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.241 -8.891 10.499 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.752 -11.262 10.497 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.930 -10.937 9.241 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.807 -11.116 9.631 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.570 -11.922 7.158 1.00 0.00 H new ATOM 0 HE1 TYR A 88 3.274 -12.185 7.976 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.105 -12.992 5.505 1.00 0.00 H new ATOM 0 HH TYR A 88 1.953 -13.572 4.961 1.00 0.00 H new ATOM 1307 N TYR A 89 1.223 -9.356 11.228 1.00 0.00 N ATOM 1308 CA TYR A 89 2.603 -9.176 11.662 1.00 0.00 C ATOM 1309 C TYR A 89 3.133 -10.448 12.315 1.00 0.00 C ATOM 1310 O TYR A 89 3.817 -11.248 11.676 1.00 0.00 O ATOM 1311 CB TYR A 89 2.707 -8.004 12.640 1.00 0.00 C ATOM 1312 CG TYR A 89 2.917 -6.661 11.972 1.00 0.00 C ATOM 1313 CD1 TYR A 89 3.295 -6.571 10.637 1.00 0.00 C ATOM 1314 CD2 TYR A 89 2.737 -5.479 12.682 1.00 0.00 C ATOM 1315 CE1 TYR A 89 3.487 -5.344 10.031 1.00 0.00 C ATOM 1316 CE2 TYR A 89 2.927 -4.249 12.082 1.00 0.00 C ATOM 1317 CZ TYR A 89 3.302 -4.187 10.757 1.00 0.00 C ATOM 1318 OH TYR A 89 3.492 -2.964 10.156 1.00 0.00 O ATOM 0 H TYR A 89 0.604 -9.742 11.941 1.00 0.00 H new ATOM 0 HA TYR A 89 3.209 -8.957 10.783 1.00 0.00 H new ATOM 0 HB2 TYR A 89 1.797 -7.962 13.239 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.533 -8.190 13.327 1.00 0.00 H new ATOM 0 HD1 TYR A 89 3.441 -7.475 10.064 1.00 0.00 H new ATOM 0 HD2 TYR A 89 2.444 -5.523 13.720 1.00 0.00 H new ATOM 0 HE1 TYR A 89 3.781 -5.292 8.993 1.00 0.00 H new ATOM 0 HE2 TYR A 89 2.782 -3.341 12.648 1.00 0.00 H new ATOM 0 HH TYR A 89 3.320 -2.250 10.805 1.00 0.00 H new ATOM 1328 N HIS A 90 2.809 -10.630 13.591 1.00 0.00 N ATOM 1329 CA HIS A 90 3.249 -11.806 14.333 1.00 0.00 C ATOM 1330 C HIS A 90 2.179 -12.248 15.326 1.00 0.00 C ATOM 1331 O HIS A 90 2.451 -13.014 16.250 1.00 0.00 O ATOM 1332 CB HIS A 90 4.555 -11.511 15.073 1.00 0.00 C ATOM 1333 CG HIS A 90 5.645 -12.494 14.781 1.00 0.00 C ATOM 1334 ND1 HIS A 90 6.673 -12.762 15.661 1.00 0.00 N ATOM 1335 CD2 HIS A 90 5.866 -13.278 13.699 1.00 0.00 C ATOM 1336 CE1 HIS A 90 7.478 -13.668 15.133 1.00 0.00 C ATOM 1337 NE2 HIS A 90 7.010 -13.997 13.944 1.00 0.00 N ATOM 0 H HIS A 90 2.243 -9.977 14.133 1.00 0.00 H new ATOM 0 HA HIS A 90 3.419 -12.613 13.621 1.00 0.00 H new ATOM 0 HB2 HIS A 90 4.897 -10.512 14.804 1.00 0.00 H new ATOM 0 HB3 HIS A 90 4.361 -11.504 16.146 1.00 0.00 H new ATOM 0 HD2 HIS A 90 5.256 -13.328 12.809 1.00 0.00 H new ATOM 0 HE1 HIS A 90 8.367 -14.070 15.596 1.00 0.00 H new ATOM 0 HE2 HIS A 90 7.430 -14.676 13.309 1.00 0.00 H new ATOM 1346 N LYS A 91 0.962 -11.753 15.128 1.00 0.00 N ATOM 1347 CA LYS A 91 -0.154 -12.088 16.004 1.00 0.00 C ATOM 1348 C LYS A 91 -0.479 -13.579 15.937 1.00 0.00 C ATOM 1349 O LYS A 91 -0.574 -14.248 16.966 1.00 0.00 O ATOM 1350 CB LYS A 91 -1.386 -11.256 15.629 1.00 0.00 C ATOM 1351 CG LYS A 91 -2.704 -11.999 15.783 1.00 0.00 C ATOM 1352 CD LYS A 91 -3.069 -12.196 17.246 1.00 0.00 C ATOM 1353 CE LYS A 91 -3.602 -13.597 17.503 1.00 0.00 C ATOM 1354 NZ LYS A 91 -5.034 -13.580 17.912 1.00 0.00 N ATOM 0 H LYS A 91 0.723 -11.117 14.367 1.00 0.00 H new ATOM 0 HA LYS A 91 0.135 -11.853 17.029 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -1.410 -10.361 16.251 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.287 -10.924 14.596 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.496 -11.443 15.282 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.635 -12.969 15.291 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.192 -12.019 17.868 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.819 -11.461 17.537 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.489 -14.199 16.602 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.008 -14.074 18.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.359 -14.554 18.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.139 -13.026 18.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.605 -13.148 17.158 1.00 0.00 H new ATOM 1368 N SER A 92 -0.650 -14.092 14.722 1.00 0.00 N ATOM 1369 CA SER A 92 -0.967 -15.503 14.527 1.00 0.00 C ATOM 1370 C SER A 92 0.068 -16.392 15.210 1.00 0.00 C ATOM 1371 O SER A 92 -0.052 -16.605 16.435 1.00 0.00 O ATOM 1372 CB SER A 92 -1.035 -15.833 13.035 1.00 0.00 C ATOM 1373 OG SER A 92 -2.191 -15.269 12.440 1.00 0.00 O ATOM 1374 OXT SER A 92 0.988 -16.870 14.513 1.00 0.00 O ATOM 0 H SER A 92 -0.575 -13.553 13.859 1.00 0.00 H new ATOM 0 HA SER A 92 -1.940 -15.696 14.978 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.143 -15.455 12.535 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.043 -16.914 12.899 1.00 0.00 H new ATOM 0 HG SER A 92 -2.210 -15.493 11.486 1.00 0.00 H new TER 1380 SER A 92 HETATM 1381 C1 NAG A1052 -11.366 -8.877 -1.582 1.00 0.00 C HETATM 1382 C2 NAG A1052 -9.903 -8.714 -1.981 1.00 0.00 C HETATM 1383 C3 NAG A1052 -9.267 -10.068 -2.231 1.00 0.00 C HETATM 1384 C4 NAG A1052 -9.488 -10.984 -1.043 1.00 0.00 C HETATM 1385 C5 NAG A1052 -10.965 -11.053 -0.687 1.00 0.00 C HETATM 1386 C6 NAG A1052 -11.215 -11.867 0.568 1.00 0.00 C HETATM 1387 C7 NAG A1052 -10.854 -7.500 -3.873 1.00 0.00 C HETATM 1388 C8 NAG A1052 -10.602 -6.668 -5.118 1.00 0.00 C HETATM 1389 N2 NAG A1052 -9.781 -7.909 -3.191 1.00 0.00 N HETATM 1390 O3 NAG A1052 -7.872 -9.895 -2.435 1.00 0.00 O HETATM 1391 O4 NAG A1052 -9.027 -12.288 -1.366 1.00 0.00 O HETATM 1392 O5 NAG A1052 -11.496 -9.738 -0.442 1.00 0.00 O HETATM 1393 O6 NAG A1052 -10.766 -13.206 0.412 1.00 0.00 O HETATM 1394 O7 NAG A1052 -12.009 -7.769 -3.549 1.00 0.00 O HETATM 0 HO6 NAG A1052 -10.938 -13.707 1.237 1.00 0.00 H new HETATM 0 HO4 NAG A1052 -9.417 -12.936 -0.743 1.00 0.00 H new HETATM 0 HO3 NAG A1052 -7.454 -10.767 -2.596 1.00 0.00 H new HETATM 0 HN2 NAG A1052 -8.852 -7.652 -3.525 1.00 0.00 H new HETATM 0 H83 NAG A1052 -10.064 -5.760 -4.846 1.00 0.00 H new HETATM 0 H82 NAG A1052 -10.007 -7.244 -5.826 1.00 0.00 H new HETATM 0 H81 NAG A1052 -11.554 -6.402 -5.577 1.00 0.00 H new HETATM 0 H62 NAG A1052 -10.702 -11.405 1.412 1.00 0.00 H new HETATM 0 H61 NAG A1052 -12.280 -11.863 0.801 1.00 0.00 H new HETATM 0 H5 NAG A1052 -11.453 -11.525 -1.540 1.00 0.00 H new HETATM 0 H4 NAG A1052 -8.938 -10.589 -0.189 1.00 0.00 H new HETATM 0 H3 NAG A1052 -9.724 -10.518 -3.113 1.00 0.00 H new HETATM 0 H2 NAG A1052 -9.392 -8.212 -1.160 1.00 0.00 H new HETATM 1404 C1 NAG A1078 11.281 -2.458 -9.402 1.00 0.00 C HETATM 1405 C2 NAG A1078 12.452 -2.511 -10.377 1.00 0.00 C HETATM 1406 C3 NAG A1078 12.249 -1.512 -11.503 1.00 0.00 C HETATM 1407 C4 NAG A1078 10.887 -1.711 -12.144 1.00 0.00 C HETATM 1408 C5 NAG A1078 9.793 -1.696 -11.087 1.00 0.00 C HETATM 1409 C6 NAG A1078 8.421 -1.990 -11.660 1.00 0.00 C HETATM 1410 C7 NAG A1078 14.680 -3.078 -9.661 1.00 0.00 C HETATM 1411 C8 NAG A1078 15.953 -2.678 -8.933 1.00 0.00 C HETATM 1412 N2 NAG A1078 13.684 -2.198 -9.682 1.00 0.00 N HETATM 1413 O3 NAG A1078 13.259 -1.701 -12.482 1.00 0.00 O HETATM 1414 O4 NAG A1078 10.652 -0.665 -13.075 1.00 0.00 O HETATM 1415 O5 NAG A1078 10.044 -2.692 -10.083 1.00 0.00 O HETATM 1416 O6 NAG A1078 8.416 -3.211 -12.385 1.00 0.00 O HETATM 1417 O7 NAG A1078 14.605 -4.182 -10.199 1.00 0.00 O HETATM 0 HO6 NAG A1078 7.518 -3.376 -12.742 1.00 0.00 H new HETATM 0 HO4 NAG A1078 9.957 -0.941 -13.709 1.00 0.00 H new HETATM 0 HO3 NAG A1078 13.131 -1.060 -13.212 1.00 0.00 H new HETATM 0 HN2 NAG A1078 13.787 -1.301 -9.208 1.00 0.00 H new HETATM 0 H83 NAG A1078 16.369 -1.782 -9.394 1.00 0.00 H new HETATM 0 H82 NAG A1078 15.725 -2.475 -7.886 1.00 0.00 H new HETATM 0 H81 NAG A1078 16.678 -3.489 -8.996 1.00 0.00 H new HETATM 0 H62 NAG A1078 7.691 -2.041 -10.853 1.00 0.00 H new HETATM 0 H61 NAG A1078 8.116 -1.174 -12.315 1.00 0.00 H new HETATM 0 H5 NAG A1078 9.806 -0.690 -10.668 1.00 0.00 H new HETATM 0 H4 NAG A1078 10.873 -2.676 -12.651 1.00 0.00 H new HETATM 0 H3 NAG A1078 12.306 -0.502 -11.097 1.00 0.00 H new HETATM 0 H2 NAG A1078 12.509 -3.516 -10.795 1.00 0.00 H new