USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 698 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 ASN : amide:sc= 1.92 K(o=3.4,f=-4.9) USER MOD Set 1.2: A 31 GLN : amide:sc= 1.49 K(o=3.4,f=-3.3!) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -176:sc= 1.24 (180deg=1.1) USER MOD Single : A 25 GLN : amide:sc= 0.705 K(o=0.7,f=0) USER MOD Single : A 28 SER OG : rot -114:sc= 1.29 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.34) USER MOD Single : A 38 THR OG1 : rot -21:sc= -1.24 USER MOD Single : A 41 SER OG : rot -123:sc= 1.34 USER MOD Single : A 42 LYS NZ :NH3+ 155:sc= 0.563 (180deg=-0.887!) USER MOD Single : A 44 MET CE :methyl 165:sc= -1.04 (180deg=-1.57!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -92:sc= -0.326 USER MOD Single : A 51 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.25) USER MOD Single : A 54 SER OG : rot 180:sc= 0.174 USER MOD Single : A 55 MET CE :methyl 165:sc= -0.0208 (180deg=-0.286) USER MOD Single : A 57 GLN : amide:sc= 0.74 K(o=0.74,f=-6.6!) USER MOD Single : A 65 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.31) USER MOD Single : A 68 ASN : amide:sc= 1.06 K(o=1.1,f=-0.00073) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 75 GLN : amide:sc= -0.0224 K(o=-0.022,f=-0.81) USER MOD Single : A 78 MET CE :methyl -161:sc= -1.4 (180deg=-1.84) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc=-0.00266 K(o=-0.0027,f=-0.97) USER MOD Single : A 89 GLN : amide:sc= -0.017 K(o=-0.017,f=-0.52) USER MOD Single : A 90 GLN : amide:sc= -0.949 K(o=-0.95,f=-3.1!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.151 USER MOD Single : B 357 ASN :FLIP amide:sc= 1.11 F(o=-0.32,f=1.1) USER MOD Single : B 358 ASN : amide:sc= -0.0216 X(o=-0.022,f=-0.11) USER MOD Single : B 365 SER OG : rot 180:sc= 0 USER MOD Single : B 367 SER OG : rot 180:sc= 0.0729 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 -5.915 15.728 11.656 1.00 10.00 N ATOM 2 CA ASP A 16 -6.228 14.498 12.420 1.00 10.00 C ATOM 3 C ASP A 16 -5.838 13.267 11.621 1.00 10.00 C ATOM 4 O ASP A 16 -5.168 13.372 10.592 1.00 10.00 O ATOM 5 CB ASP A 16 -7.719 14.438 12.761 1.00 10.00 C ATOM 6 CG ASP A 16 -8.086 15.330 13.927 1.00 10.00 C ATOM 7 OD1 ASP A 16 -8.595 14.809 14.944 1.00 10.00 O ATOM 8 OD2 ASP A 16 -7.868 16.551 13.830 1.00 10.00 O ATOM 0 HA ASP A 16 -5.655 14.520 13.347 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -8.300 14.732 11.887 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -7.993 13.409 12.995 1.00 10.00 H new ATOM 13 N HIS A 17 -6.254 12.103 12.098 1.00 10.00 N ATOM 14 CA HIS A 17 -5.946 10.849 11.429 1.00 10.00 C ATOM 15 C HIS A 17 -6.964 10.555 10.331 1.00 10.00 C ATOM 16 O HIS A 17 -8.142 10.908 10.443 1.00 10.00 O ATOM 17 CB HIS A 17 -5.927 9.696 12.434 1.00 10.00 C ATOM 18 CG HIS A 17 -4.644 9.566 13.197 1.00 10.00 C ATOM 19 ND1 HIS A 17 -4.449 10.213 14.390 1.00 10.00 N ATOM 20 CD2 HIS A 17 -3.538 8.838 12.906 1.00 10.00 C ATOM 21 CE1 HIS A 17 -3.241 9.863 14.802 1.00 10.00 C ATOM 22 NE2 HIS A 17 -2.651 9.030 13.935 1.00 10.00 N ATOM 0 H HIS A 17 -6.808 12.002 12.949 1.00 10.00 H new ATOM 0 HA HIS A 17 -4.959 10.945 10.976 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -6.745 9.832 13.141 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -6.117 8.763 11.903 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -3.384 8.224 12.031 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -2.788 10.206 15.721 1.00 10.00 H new ATOM 0 HE2 HIS A 17 -1.722 8.618 14.023 1.00 10.00 H new ATOM 30 N ILE A 18 -6.500 9.904 9.280 1.00 10.00 N ATOM 31 CA ILE A 18 -7.347 9.547 8.157 1.00 10.00 C ATOM 32 C ILE A 18 -7.469 8.026 8.079 1.00 10.00 C ATOM 33 O ILE A 18 -6.527 7.305 8.409 1.00 10.00 O ATOM 34 CB ILE A 18 -6.787 10.119 6.829 1.00 10.00 C ATOM 35 CG1 ILE A 18 -7.795 9.938 5.692 1.00 10.00 C ATOM 36 CG2 ILE A 18 -5.456 9.473 6.472 1.00 10.00 C ATOM 37 CD1 ILE A 18 -7.392 10.641 4.415 1.00 10.00 C ATOM 0 H ILE A 18 -5.529 9.609 9.181 1.00 10.00 H new ATOM 0 HA ILE A 18 -8.335 9.982 8.310 1.00 10.00 H new ATOM 0 HB ILE A 18 -6.617 11.186 6.971 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -7.916 8.874 5.490 1.00 10.00 H new ATOM 0 HG13 ILE A 18 -8.766 10.314 6.014 1.00 10.00 H new ATOM 0 HG21 ILE A 18 -5.087 9.893 5.536 1.00 10.00 H new ATOM 0 HG22 ILE A 18 -4.734 9.665 7.266 1.00 10.00 H new ATOM 0 HG23 ILE A 18 -5.593 8.398 6.358 1.00 10.00 H new ATOM 0 HD11 ILE A 18 -8.151 10.471 3.651 1.00 10.00 H new ATOM 0 HD12 ILE A 18 -7.299 11.711 4.602 1.00 10.00 H new ATOM 0 HD13 ILE A 18 -6.436 10.248 4.070 1.00 10.00 H new ATOM 49 N ASN A 19 -8.633 7.538 7.678 1.00 10.00 N ATOM 50 CA ASN A 19 -8.861 6.104 7.592 1.00 10.00 C ATOM 51 C ASN A 19 -8.857 5.637 6.149 1.00 10.00 C ATOM 52 O ASN A 19 -9.755 5.967 5.377 1.00 10.00 O ATOM 53 CB ASN A 19 -10.192 5.730 8.246 1.00 10.00 C ATOM 54 CG ASN A 19 -10.295 6.229 9.670 1.00 10.00 C ATOM 55 OD1 ASN A 19 -9.914 5.535 10.614 1.00 10.00 O ATOM 56 ND2 ASN A 19 -10.815 7.434 9.836 1.00 10.00 N ATOM 0 H ASN A 19 -9.432 8.112 7.408 1.00 10.00 H new ATOM 0 HA ASN A 19 -8.048 5.609 8.123 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -11.011 6.144 7.659 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -10.308 4.646 8.234 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -10.913 7.822 10.774 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -11.118 7.975 9.026 1.00 10.00 H new ATOM 63 N LEU A 20 -7.842 4.877 5.785 1.00 10.00 N ATOM 64 CA LEU A 20 -7.732 4.353 4.435 1.00 10.00 C ATOM 65 C LEU A 20 -8.002 2.854 4.438 1.00 10.00 C ATOM 66 O LEU A 20 -7.325 2.095 5.131 1.00 10.00 O ATOM 67 CB LEU A 20 -6.347 4.653 3.858 1.00 10.00 C ATOM 68 CG LEU A 20 -5.964 6.137 3.835 1.00 10.00 C ATOM 69 CD1 LEU A 20 -4.538 6.315 3.339 1.00 10.00 C ATOM 70 CD2 LEU A 20 -6.933 6.926 2.966 1.00 10.00 C ATOM 0 H LEU A 20 -7.079 4.607 6.406 1.00 10.00 H new ATOM 0 HA LEU A 20 -8.475 4.840 3.803 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -5.602 4.110 4.439 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -6.302 4.265 2.840 1.00 10.00 H new ATOM 0 HG LEU A 20 -6.023 6.521 4.853 1.00 10.00 H new ATOM 0 HD11 LEU A 20 -4.286 7.375 3.330 1.00 10.00 H new ATOM 0 HD12 LEU A 20 -3.854 5.785 4.001 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -4.451 5.913 2.330 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -6.645 7.977 2.962 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -6.907 6.539 1.948 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -7.942 6.828 3.365 1.00 10.00 H new ATOM 82 N LYS A 21 -9.002 2.435 3.680 1.00 10.00 N ATOM 83 CA LYS A 21 -9.366 1.029 3.607 1.00 10.00 C ATOM 84 C LYS A 21 -8.550 0.322 2.537 1.00 10.00 C ATOM 85 O LYS A 21 -8.630 0.660 1.359 1.00 10.00 O ATOM 86 CB LYS A 21 -10.860 0.879 3.305 1.00 10.00 C ATOM 87 CG LYS A 21 -11.766 1.526 4.338 1.00 10.00 C ATOM 88 CD LYS A 21 -13.153 1.776 3.773 1.00 10.00 C ATOM 89 CE LYS A 21 -14.074 2.404 4.805 1.00 10.00 C ATOM 90 NZ LYS A 21 -15.371 2.827 4.211 1.00 10.00 N ATOM 0 H LYS A 21 -9.578 3.050 3.105 1.00 10.00 H new ATOM 0 HA LYS A 21 -9.152 0.571 4.573 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -11.069 1.316 2.329 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -11.102 -0.182 3.238 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -11.838 0.883 5.215 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -11.330 2.469 4.668 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -13.080 2.430 2.904 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -13.581 0.835 3.428 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -14.259 1.690 5.608 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -13.582 3.267 5.253 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -15.942 3.311 4.933 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -15.194 3.475 3.417 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -15.884 1.991 3.867 1.00 10.00 H new ATOM 104 N VAL A 22 -7.759 -0.649 2.951 1.00 10.00 N ATOM 105 CA VAL A 22 -6.935 -1.404 2.024 1.00 10.00 C ATOM 106 C VAL A 22 -7.526 -2.793 1.824 1.00 10.00 C ATOM 107 O VAL A 22 -7.845 -3.482 2.794 1.00 10.00 O ATOM 108 CB VAL A 22 -5.482 -1.526 2.533 1.00 10.00 C ATOM 109 CG1 VAL A 22 -4.601 -2.221 1.508 1.00 10.00 C ATOM 110 CG2 VAL A 22 -4.918 -0.157 2.882 1.00 10.00 C ATOM 0 H VAL A 22 -7.669 -0.935 3.926 1.00 10.00 H new ATOM 0 HA VAL A 22 -6.918 -0.869 1.074 1.00 10.00 H new ATOM 0 HB VAL A 22 -5.493 -2.135 3.437 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -3.584 -2.293 1.892 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -4.988 -3.221 1.314 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -4.599 -1.647 0.581 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -3.894 -0.266 3.238 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -4.929 0.478 1.996 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -5.527 0.299 3.662 1.00 10.00 H new ATOM 120 N ALA A 23 -7.690 -3.194 0.573 1.00 10.00 N ATOM 121 CA ALA A 23 -8.253 -4.497 0.266 1.00 10.00 C ATOM 122 C ALA A 23 -7.356 -5.266 -0.692 1.00 10.00 C ATOM 123 O ALA A 23 -6.787 -4.691 -1.622 1.00 10.00 O ATOM 124 CB ALA A 23 -9.646 -4.345 -0.323 1.00 10.00 C ATOM 0 H ALA A 23 -7.441 -2.636 -0.244 1.00 10.00 H new ATOM 0 HA ALA A 23 -8.323 -5.064 1.195 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -10.055 -5.330 -0.548 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -10.291 -3.839 0.395 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -9.592 -3.757 -1.239 1.00 10.00 H new ATOM 130 N GLY A 24 -7.228 -6.562 -0.454 1.00 10.00 N ATOM 131 CA GLY A 24 -6.402 -7.393 -1.305 1.00 10.00 C ATOM 132 C GLY A 24 -7.198 -8.034 -2.420 1.00 10.00 C ATOM 133 O GLY A 24 -7.748 -7.344 -3.277 1.00 10.00 O ATOM 0 H GLY A 24 -7.682 -7.055 0.315 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -5.601 -6.790 -1.732 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -5.930 -8.170 -0.704 1.00 10.00 H new ATOM 137 N GLN A 25 -7.261 -9.355 -2.416 1.00 10.00 N ATOM 138 CA GLN A 25 -8.003 -10.086 -3.435 1.00 10.00 C ATOM 139 C GLN A 25 -9.088 -10.938 -2.784 1.00 10.00 C ATOM 140 O GLN A 25 -9.765 -11.722 -3.450 1.00 10.00 O ATOM 141 CB GLN A 25 -7.056 -10.964 -4.257 1.00 10.00 C ATOM 142 CG GLN A 25 -5.929 -10.182 -4.922 1.00 10.00 C ATOM 143 CD GLN A 25 -6.393 -9.377 -6.123 1.00 10.00 C ATOM 144 OE1 GLN A 25 -6.335 -9.847 -7.259 1.00 10.00 O ATOM 145 NE2 GLN A 25 -6.856 -8.158 -5.885 1.00 10.00 N ATOM 0 H GLN A 25 -6.808 -9.945 -1.719 1.00 10.00 H new ATOM 0 HA GLN A 25 -8.477 -9.369 -4.105 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -6.625 -11.727 -3.609 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -7.629 -11.484 -5.024 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -5.481 -9.508 -4.191 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -5.149 -10.876 -5.236 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -6.889 -7.802 -4.930 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -7.180 -7.576 -6.657 1.00 10.00 H new ATOM 154 N ASP A 26 -9.249 -10.765 -1.477 1.00 10.00 N ATOM 155 CA ASP A 26 -10.246 -11.502 -0.712 1.00 10.00 C ATOM 156 C ASP A 26 -11.029 -10.542 0.186 1.00 10.00 C ATOM 157 O ASP A 26 -10.929 -9.323 0.029 1.00 10.00 O ATOM 158 CB ASP A 26 -9.577 -12.609 0.119 1.00 10.00 C ATOM 159 CG ASP A 26 -8.949 -12.102 1.403 1.00 10.00 C ATOM 160 OD1 ASP A 26 -7.982 -11.316 1.330 1.00 10.00 O ATOM 161 OD2 ASP A 26 -9.425 -12.496 2.488 1.00 10.00 O ATOM 0 H ASP A 26 -8.695 -10.113 -0.921 1.00 10.00 H new ATOM 0 HA ASP A 26 -10.943 -11.976 -1.403 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -10.319 -13.370 0.362 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -8.810 -13.093 -0.485 1.00 10.00 H new ATOM 166 N GLY A 27 -11.796 -11.086 1.127 1.00 10.00 N ATOM 167 CA GLY A 27 -12.594 -10.264 2.023 1.00 10.00 C ATOM 168 C GLY A 27 -11.806 -9.688 3.191 1.00 10.00 C ATOM 169 O GLY A 27 -12.237 -9.773 4.344 1.00 10.00 O ATOM 0 H GLY A 27 -11.880 -12.090 1.286 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -13.034 -9.445 1.454 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -13.418 -10.861 2.412 1.00 10.00 H new ATOM 173 N SER A 28 -10.658 -9.101 2.899 1.00 10.00 N ATOM 174 CA SER A 28 -9.823 -8.493 3.922 1.00 10.00 C ATOM 175 C SER A 28 -10.076 -6.990 3.956 1.00 10.00 C ATOM 176 O SER A 28 -9.838 -6.294 2.968 1.00 10.00 O ATOM 177 CB SER A 28 -8.347 -8.787 3.630 1.00 10.00 C ATOM 178 OG SER A 28 -8.109 -8.872 2.232 1.00 10.00 O ATOM 0 H SER A 28 -10.280 -9.032 1.954 1.00 10.00 H new ATOM 0 HA SER A 28 -10.072 -8.913 4.897 1.00 10.00 H new ATOM 0 HB2 SER A 28 -7.725 -8.003 4.061 1.00 10.00 H new ATOM 0 HB3 SER A 28 -8.058 -9.723 4.109 1.00 10.00 H new ATOM 0 HG SER A 28 -7.851 -9.788 1.999 1.00 10.00 H new ATOM 184 N VAL A 29 -10.583 -6.480 5.074 1.00 10.00 N ATOM 185 CA VAL A 29 -10.864 -5.053 5.171 1.00 10.00 C ATOM 186 C VAL A 29 -10.029 -4.404 6.267 1.00 10.00 C ATOM 187 O VAL A 29 -10.502 -4.209 7.386 1.00 10.00 O ATOM 188 CB VAL A 29 -12.360 -4.778 5.442 1.00 10.00 C ATOM 189 CG1 VAL A 29 -12.689 -3.312 5.197 1.00 10.00 C ATOM 190 CG2 VAL A 29 -13.244 -5.677 4.588 1.00 10.00 C ATOM 0 H VAL A 29 -10.804 -7.021 5.910 1.00 10.00 H new ATOM 0 HA VAL A 29 -10.600 -4.617 4.208 1.00 10.00 H new ATOM 0 HB VAL A 29 -12.560 -5.005 6.489 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -13.747 -3.139 5.393 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -12.090 -2.689 5.861 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -12.466 -3.057 4.161 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -14.292 -5.463 4.798 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -13.040 -5.492 3.533 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -13.033 -6.721 4.820 1.00 10.00 H new ATOM 200 N VAL A 30 -8.785 -4.074 5.956 1.00 10.00 N ATOM 201 CA VAL A 30 -7.919 -3.446 6.941 1.00 10.00 C ATOM 202 C VAL A 30 -8.062 -1.928 6.875 1.00 10.00 C ATOM 203 O VAL A 30 -8.102 -1.335 5.790 1.00 10.00 O ATOM 204 CB VAL A 30 -6.437 -3.863 6.788 1.00 10.00 C ATOM 205 CG1 VAL A 30 -6.271 -5.348 7.084 1.00 10.00 C ATOM 206 CG2 VAL A 30 -5.906 -3.528 5.402 1.00 10.00 C ATOM 0 H VAL A 30 -8.357 -4.228 5.043 1.00 10.00 H new ATOM 0 HA VAL A 30 -8.240 -3.797 7.922 1.00 10.00 H new ATOM 0 HB VAL A 30 -5.852 -3.295 7.511 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -5.223 -5.626 6.972 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -6.594 -5.554 8.104 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -6.877 -5.928 6.387 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -4.862 -3.834 5.328 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -6.493 -4.056 4.650 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -5.982 -2.454 5.233 1.00 10.00 H new ATOM 216 N GLN A 31 -8.155 -1.312 8.041 1.00 10.00 N ATOM 217 CA GLN A 31 -8.326 0.125 8.148 1.00 10.00 C ATOM 218 C GLN A 31 -7.026 0.790 8.591 1.00 10.00 C ATOM 219 O GLN A 31 -6.592 0.634 9.734 1.00 10.00 O ATOM 220 CB GLN A 31 -9.446 0.426 9.150 1.00 10.00 C ATOM 221 CG GLN A 31 -9.926 1.867 9.143 1.00 10.00 C ATOM 222 CD GLN A 31 -11.219 2.037 9.918 1.00 10.00 C ATOM 223 OE1 GLN A 31 -12.043 1.125 9.975 1.00 10.00 O ATOM 224 NE2 GLN A 31 -11.411 3.198 10.522 1.00 10.00 N ATOM 0 H GLN A 31 -8.114 -1.794 8.939 1.00 10.00 H new ATOM 0 HA GLN A 31 -8.594 0.527 7.171 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -10.292 -0.227 8.937 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -9.096 0.177 10.152 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -9.157 2.508 9.575 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -10.074 2.195 8.114 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -10.706 3.932 10.453 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -12.264 3.360 11.057 1.00 10.00 H new ATOM 233 N PHE A 32 -6.396 1.514 7.682 1.00 10.00 N ATOM 234 CA PHE A 32 -5.154 2.201 7.992 1.00 10.00 C ATOM 235 C PHE A 32 -5.438 3.594 8.531 1.00 10.00 C ATOM 236 O PHE A 32 -5.850 4.486 7.792 1.00 10.00 O ATOM 237 CB PHE A 32 -4.261 2.289 6.757 1.00 10.00 C ATOM 238 CG PHE A 32 -3.204 1.223 6.705 1.00 10.00 C ATOM 239 CD1 PHE A 32 -3.445 0.023 6.059 1.00 10.00 C ATOM 240 CD2 PHE A 32 -1.969 1.428 7.297 1.00 10.00 C ATOM 241 CE1 PHE A 32 -2.473 -0.956 6.004 1.00 10.00 C ATOM 242 CE2 PHE A 32 -0.993 0.452 7.246 1.00 10.00 C ATOM 243 CZ PHE A 32 -1.246 -0.741 6.598 1.00 10.00 C ATOM 0 H PHE A 32 -6.723 1.641 6.724 1.00 10.00 H new ATOM 0 HA PHE A 32 -4.631 1.627 8.757 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -4.882 2.218 5.864 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -3.781 3.267 6.735 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -4.404 -0.150 5.593 1.00 10.00 H new ATOM 0 HD2 PHE A 32 -1.767 2.360 7.804 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -2.673 -1.888 5.497 1.00 10.00 H new ATOM 0 HE2 PHE A 32 -0.034 0.622 7.712 1.00 10.00 H new ATOM 0 HZ PHE A 32 -0.484 -1.505 6.556 1.00 10.00 H new ATOM 253 N LYS A 33 -5.223 3.764 9.823 1.00 10.00 N ATOM 254 CA LYS A 33 -5.449 5.041 10.474 1.00 10.00 C ATOM 255 C LYS A 33 -4.123 5.781 10.612 1.00 10.00 C ATOM 256 O LYS A 33 -3.437 5.674 11.628 1.00 10.00 O ATOM 257 CB LYS A 33 -6.095 4.828 11.848 1.00 10.00 C ATOM 258 CG LYS A 33 -6.540 6.114 12.531 1.00 10.00 C ATOM 259 CD LYS A 33 -7.011 5.853 13.953 1.00 10.00 C ATOM 260 CE LYS A 33 -7.456 7.134 14.641 1.00 10.00 C ATOM 261 NZ LYS A 33 -7.875 6.891 16.047 1.00 10.00 N ATOM 0 H LYS A 33 -4.890 3.028 10.446 1.00 10.00 H new ATOM 0 HA LYS A 33 -6.128 5.641 9.869 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -6.958 4.172 11.734 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -5.386 4.312 12.495 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -5.714 6.825 12.545 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -7.346 6.572 11.958 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -7.837 5.142 13.938 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -6.205 5.394 14.525 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -6.640 7.857 14.625 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -8.284 7.575 14.086 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -8.171 7.789 16.481 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -8.670 6.221 16.061 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -7.077 6.494 16.583 1.00 10.00 H new ATOM 275 N ILE A 34 -3.759 6.511 9.573 1.00 10.00 N ATOM 276 CA ILE A 34 -2.509 7.256 9.563 1.00 10.00 C ATOM 277 C ILE A 34 -2.772 8.745 9.411 1.00 10.00 C ATOM 278 O ILE A 34 -3.920 9.181 9.376 1.00 10.00 O ATOM 279 CB ILE A 34 -1.575 6.785 8.424 1.00 10.00 C ATOM 280 CG1 ILE A 34 -2.249 6.965 7.058 1.00 10.00 C ATOM 281 CG2 ILE A 34 -1.181 5.332 8.634 1.00 10.00 C ATOM 282 CD1 ILE A 34 -1.303 6.801 5.889 1.00 10.00 C ATOM 0 H ILE A 34 -4.312 6.605 8.721 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.017 7.068 10.517 1.00 10.00 H new ATOM 0 HB ILE A 34 -0.674 7.398 8.442 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -3.059 6.241 6.964 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -2.701 7.956 7.013 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -0.524 5.013 7.825 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -0.661 5.230 9.586 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -2.076 4.710 8.641 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -1.849 6.942 4.956 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -0.507 7.542 5.959 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -0.870 5.801 5.909 1.00 10.00 H new ATOM 294 N LYS A 35 -1.709 9.526 9.326 1.00 10.00 N ATOM 295 CA LYS A 35 -1.842 10.962 9.168 1.00 10.00 C ATOM 296 C LYS A 35 -1.778 11.321 7.687 1.00 10.00 C ATOM 297 O LYS A 35 -1.170 10.601 6.896 1.00 10.00 O ATOM 298 CB LYS A 35 -0.753 11.686 9.964 1.00 10.00 C ATOM 299 CG LYS A 35 -0.806 11.383 11.455 1.00 10.00 C ATOM 300 CD LYS A 35 0.333 12.048 12.215 1.00 10.00 C ATOM 301 CE LYS A 35 0.178 11.847 13.716 1.00 10.00 C ATOM 302 NZ LYS A 35 0.995 12.810 14.503 1.00 10.00 N ATOM 0 H LYS A 35 -0.747 9.190 9.364 1.00 10.00 H new ATOM 0 HA LYS A 35 -2.807 11.284 9.559 1.00 10.00 H new ATOM 0 HB2 LYS A 35 0.224 11.400 9.575 1.00 10.00 H new ATOM 0 HB3 LYS A 35 -0.854 12.761 9.813 1.00 10.00 H new ATOM 0 HG2 LYS A 35 -1.759 11.723 11.860 1.00 10.00 H new ATOM 0 HG3 LYS A 35 -0.762 10.305 11.607 1.00 10.00 H new ATOM 0 HD2 LYS A 35 1.286 11.633 11.885 1.00 10.00 H new ATOM 0 HD3 LYS A 35 0.353 13.114 11.987 1.00 10.00 H new ATOM 0 HE2 LYS A 35 -0.872 11.957 13.988 1.00 10.00 H new ATOM 0 HE3 LYS A 35 0.470 10.829 13.976 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 0.856 12.634 15.519 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 2.000 12.689 14.265 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 0.700 13.781 14.277 1.00 10.00 H new ATOM 316 N ARG A 36 -2.398 12.436 7.313 1.00 10.00 N ATOM 317 CA ARG A 36 -2.433 12.865 5.913 1.00 10.00 C ATOM 318 C ARG A 36 -1.041 13.181 5.368 1.00 10.00 C ATOM 319 O ARG A 36 -0.853 13.256 4.153 1.00 10.00 O ATOM 320 CB ARG A 36 -3.349 14.082 5.744 1.00 10.00 C ATOM 321 CG ARG A 36 -4.823 13.768 5.952 1.00 10.00 C ATOM 322 CD ARG A 36 -5.710 14.919 5.496 1.00 10.00 C ATOM 323 NE ARG A 36 -6.424 14.602 4.258 1.00 10.00 N ATOM 324 CZ ARG A 36 -7.749 14.690 4.111 1.00 10.00 C ATOM 325 NH1 ARG A 36 -8.515 15.105 5.113 1.00 10.00 N ATOM 326 NH2 ARG A 36 -8.311 14.360 2.958 1.00 10.00 N ATOM 0 H ARG A 36 -2.884 13.061 7.957 1.00 10.00 H new ATOM 0 HA ARG A 36 -2.831 12.030 5.336 1.00 10.00 H new ATOM 0 HB2 ARG A 36 -3.047 14.854 6.451 1.00 10.00 H new ATOM 0 HB3 ARG A 36 -3.211 14.494 4.744 1.00 10.00 H new ATOM 0 HG2 ARG A 36 -5.085 12.865 5.400 1.00 10.00 H new ATOM 0 HG3 ARG A 36 -5.007 13.562 7.006 1.00 10.00 H new ATOM 0 HD2 ARG A 36 -6.430 15.155 6.280 1.00 10.00 H new ATOM 0 HD3 ARG A 36 -5.100 15.810 5.345 1.00 10.00 H new ATOM 0 HE ARG A 36 -5.874 14.294 3.456 1.00 10.00 H new ATOM 0 HH11 ARG A 36 -8.093 15.360 6.006 1.00 10.00 H new ATOM 0 HH12 ARG A 36 -9.526 15.168 4.990 1.00 10.00 H new ATOM 0 HH21 ARG A 36 -7.732 14.039 2.182 1.00 10.00 H new ATOM 0 HH22 ARG A 36 -9.323 14.427 2.846 1.00 10.00 H new ATOM 340 N HIS A 37 -0.068 13.349 6.255 1.00 10.00 N ATOM 341 CA HIS A 37 1.292 13.659 5.831 1.00 10.00 C ATOM 342 C HIS A 37 2.221 12.456 5.982 1.00 10.00 C ATOM 343 O HIS A 37 3.433 12.573 5.805 1.00 10.00 O ATOM 344 CB HIS A 37 1.849 14.860 6.605 1.00 10.00 C ATOM 345 CG HIS A 37 1.621 14.817 8.088 1.00 10.00 C ATOM 346 ND1 HIS A 37 2.588 14.362 8.947 1.00 10.00 N ATOM 347 CD2 HIS A 37 0.544 15.215 8.805 1.00 10.00 C ATOM 348 CE1 HIS A 37 2.085 14.492 10.160 1.00 10.00 C ATOM 349 NE2 HIS A 37 0.847 15.008 10.127 1.00 10.00 N ATOM 0 H HIS A 37 -0.193 13.277 7.265 1.00 10.00 H new ATOM 0 HA HIS A 37 1.246 13.916 4.773 1.00 10.00 H new ATOM 0 HB2 HIS A 37 2.921 14.928 6.419 1.00 10.00 H new ATOM 0 HB3 HIS A 37 1.398 15.770 6.209 1.00 10.00 H new ATOM 0 HD2 HIS A 37 -0.377 15.618 8.412 1.00 10.00 H new ATOM 0 HE1 HIS A 37 2.605 14.217 11.066 1.00 10.00 H new ATOM 0 HE2 HIS A 37 0.248 15.207 10.928 1.00 10.00 H new ATOM 357 N THR A 38 1.653 11.301 6.296 1.00 10.00 N ATOM 358 CA THR A 38 2.442 10.087 6.450 1.00 10.00 C ATOM 359 C THR A 38 2.616 9.395 5.098 1.00 10.00 C ATOM 360 O THR A 38 1.631 9.053 4.443 1.00 10.00 O ATOM 361 CB THR A 38 1.777 9.117 7.450 1.00 10.00 C ATOM 362 OG1 THR A 38 1.430 9.825 8.648 1.00 10.00 O ATOM 363 CG2 THR A 38 2.702 7.960 7.794 1.00 10.00 C ATOM 0 H THR A 38 0.652 11.178 6.449 1.00 10.00 H new ATOM 0 HA THR A 38 3.420 10.369 6.840 1.00 10.00 H new ATOM 0 HB THR A 38 0.879 8.710 6.984 1.00 10.00 H new ATOM 0 HG1 THR A 38 1.969 10.641 8.714 1.00 10.00 H new ATOM 0 HG21 THR A 38 2.205 7.295 8.500 1.00 10.00 H new ATOM 0 HG22 THR A 38 2.948 7.408 6.887 1.00 10.00 H new ATOM 0 HG23 THR A 38 3.617 8.347 8.242 1.00 10.00 H new ATOM 371 N PRO A 39 3.874 9.210 4.653 1.00 10.00 N ATOM 372 CA PRO A 39 4.183 8.565 3.368 1.00 10.00 C ATOM 373 C PRO A 39 3.475 7.224 3.191 1.00 10.00 C ATOM 374 O PRO A 39 3.537 6.353 4.064 1.00 10.00 O ATOM 375 CB PRO A 39 5.698 8.359 3.431 1.00 10.00 C ATOM 376 CG PRO A 39 6.188 9.418 4.350 1.00 10.00 C ATOM 377 CD PRO A 39 5.100 9.628 5.365 1.00 10.00 C ATOM 0 HA PRO A 39 3.850 9.171 2.525 1.00 10.00 H new ATOM 0 HB2 PRO A 39 5.947 7.366 3.804 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.151 8.451 2.444 1.00 10.00 H new ATOM 0 HG2 PRO A 39 7.117 9.115 4.832 1.00 10.00 H new ATOM 0 HG3 PRO A 39 6.396 10.339 3.806 1.00 10.00 H new ATOM 0 HD2 PRO A 39 5.267 9.030 6.261 1.00 10.00 H new ATOM 0 HD3 PRO A 39 5.044 10.669 5.683 1.00 10.00 H new ATOM 385 N LEU A 40 2.820 7.056 2.045 1.00 10.00 N ATOM 386 CA LEU A 40 2.093 5.829 1.743 1.00 10.00 C ATOM 387 C LEU A 40 3.048 4.653 1.575 1.00 10.00 C ATOM 388 O LEU A 40 2.637 3.494 1.625 1.00 10.00 O ATOM 389 CB LEU A 40 1.247 6.005 0.482 1.00 10.00 C ATOM 390 CG LEU A 40 0.032 6.924 0.641 1.00 10.00 C ATOM 391 CD1 LEU A 40 -0.635 7.168 -0.702 1.00 10.00 C ATOM 392 CD2 LEU A 40 -0.962 6.333 1.630 1.00 10.00 C ATOM 0 H LEU A 40 2.779 7.759 1.307 1.00 10.00 H new ATOM 0 HA LEU A 40 1.433 5.615 2.584 1.00 10.00 H new ATOM 0 HB2 LEU A 40 1.882 6.401 -0.311 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.902 5.024 0.154 1.00 10.00 H new ATOM 0 HG LEU A 40 0.378 7.881 1.032 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -1.496 7.823 -0.567 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.076 7.638 -1.381 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.965 6.218 -1.123 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -1.818 7.001 1.729 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -1.300 5.361 1.270 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -0.481 6.213 2.601 1.00 10.00 H new ATOM 404 N SER A 41 4.324 4.959 1.386 1.00 10.00 N ATOM 405 CA SER A 41 5.347 3.939 1.237 1.00 10.00 C ATOM 406 C SER A 41 5.414 3.076 2.491 1.00 10.00 C ATOM 407 O SER A 41 5.551 1.852 2.421 1.00 10.00 O ATOM 408 CB SER A 41 6.691 4.615 0.983 1.00 10.00 C ATOM 409 OG SER A 41 6.524 6.021 0.889 1.00 10.00 O ATOM 0 H SER A 41 4.675 5.915 1.332 1.00 10.00 H new ATOM 0 HA SER A 41 5.102 3.295 0.393 1.00 10.00 H new ATOM 0 HB2 SER A 41 7.384 4.377 1.790 1.00 10.00 H new ATOM 0 HB3 SER A 41 7.131 4.232 0.062 1.00 10.00 H new ATOM 0 HG SER A 41 6.870 6.335 0.028 1.00 10.00 H new ATOM 415 N LYS A 42 5.276 3.727 3.640 1.00 10.00 N ATOM 416 CA LYS A 42 5.314 3.042 4.921 1.00 10.00 C ATOM 417 C LYS A 42 4.031 2.249 5.122 1.00 10.00 C ATOM 418 O LYS A 42 4.029 1.204 5.769 1.00 10.00 O ATOM 419 CB LYS A 42 5.522 4.053 6.048 1.00 10.00 C ATOM 420 CG LYS A 42 6.708 4.967 5.787 1.00 10.00 C ATOM 421 CD LYS A 42 7.121 5.746 7.018 1.00 10.00 C ATOM 422 CE LYS A 42 8.508 6.335 6.834 1.00 10.00 C ATOM 423 NZ LYS A 42 8.895 7.221 7.957 1.00 10.00 N ATOM 0 H LYS A 42 5.136 4.735 3.708 1.00 10.00 H new ATOM 0 HA LYS A 42 6.151 2.344 4.935 1.00 10.00 H new ATOM 0 HB2 LYS A 42 4.621 4.655 6.165 1.00 10.00 H new ATOM 0 HB3 LYS A 42 5.675 3.521 6.987 1.00 10.00 H new ATOM 0 HG2 LYS A 42 7.552 4.372 5.438 1.00 10.00 H new ATOM 0 HG3 LYS A 42 6.457 5.664 4.987 1.00 10.00 H new ATOM 0 HD2 LYS A 42 6.403 6.544 7.209 1.00 10.00 H new ATOM 0 HD3 LYS A 42 7.110 5.092 7.890 1.00 10.00 H new ATOM 0 HE2 LYS A 42 9.234 5.527 6.744 1.00 10.00 H new ATOM 0 HE3 LYS A 42 8.541 6.898 5.901 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 9.932 7.260 8.027 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 8.524 8.178 7.788 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 8.501 6.848 8.845 1.00 10.00 H new ATOM 437 N LEU A 43 2.949 2.755 4.541 1.00 10.00 N ATOM 438 CA LEU A 43 1.654 2.094 4.611 1.00 10.00 C ATOM 439 C LEU A 43 1.735 0.771 3.855 1.00 10.00 C ATOM 440 O LEU A 43 1.254 -0.263 4.322 1.00 10.00 O ATOM 441 CB LEU A 43 0.570 3.004 4.011 1.00 10.00 C ATOM 442 CG LEU A 43 -0.851 2.428 3.970 1.00 10.00 C ATOM 443 CD1 LEU A 43 -1.870 3.529 4.222 1.00 10.00 C ATOM 444 CD2 LEU A 43 -1.125 1.753 2.629 1.00 10.00 C ATOM 0 H LEU A 43 2.945 3.628 4.013 1.00 10.00 H new ATOM 0 HA LEU A 43 1.390 1.895 5.650 1.00 10.00 H new ATOM 0 HB2 LEU A 43 0.547 3.932 4.582 1.00 10.00 H new ATOM 0 HB3 LEU A 43 0.864 3.263 2.994 1.00 10.00 H new ATOM 0 HG LEU A 43 -0.939 1.677 4.755 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -2.875 3.109 4.191 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -1.692 3.972 5.202 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -1.774 4.297 3.454 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -2.139 1.352 2.624 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -1.019 2.483 1.826 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -0.413 0.941 2.478 1.00 10.00 H new ATOM 456 N MET A 44 2.371 0.823 2.687 1.00 10.00 N ATOM 457 CA MET A 44 2.548 -0.358 1.851 1.00 10.00 C ATOM 458 C MET A 44 3.413 -1.387 2.570 1.00 10.00 C ATOM 459 O MET A 44 3.076 -2.572 2.625 1.00 10.00 O ATOM 460 CB MET A 44 3.196 0.019 0.512 1.00 10.00 C ATOM 461 CG MET A 44 2.360 0.968 -0.334 1.00 10.00 C ATOM 462 SD MET A 44 2.953 1.099 -2.035 1.00 10.00 S ATOM 463 CE MET A 44 4.533 1.908 -1.794 1.00 10.00 C ATOM 0 H MET A 44 2.774 1.676 2.298 1.00 10.00 H new ATOM 0 HA MET A 44 1.566 -0.789 1.656 1.00 10.00 H new ATOM 0 HB2 MET A 44 4.165 0.479 0.706 1.00 10.00 H new ATOM 0 HB3 MET A 44 3.383 -0.891 -0.058 1.00 10.00 H new ATOM 0 HG2 MET A 44 1.325 0.625 -0.340 1.00 10.00 H new ATOM 0 HG3 MET A 44 2.366 1.957 0.125 1.00 10.00 H new ATOM 0 HE1 MET A 44 5.130 1.819 -2.702 1.00 10.00 H new ATOM 0 HE2 MET A 44 4.371 2.962 -1.568 1.00 10.00 H new ATOM 0 HE3 MET A 44 5.061 1.436 -0.965 1.00 10.00 H new ATOM 473 N LYS A 45 4.519 -0.914 3.136 1.00 10.00 N ATOM 474 CA LYS A 45 5.449 -1.773 3.860 1.00 10.00 C ATOM 475 C LYS A 45 4.783 -2.410 5.074 1.00 10.00 C ATOM 476 O LYS A 45 4.969 -3.596 5.333 1.00 10.00 O ATOM 477 CB LYS A 45 6.679 -0.977 4.305 1.00 10.00 C ATOM 478 CG LYS A 45 7.631 -0.638 3.171 1.00 10.00 C ATOM 479 CD LYS A 45 8.872 0.071 3.686 1.00 10.00 C ATOM 480 CE LYS A 45 9.868 0.334 2.568 1.00 10.00 C ATOM 481 NZ LYS A 45 11.100 1.002 3.064 1.00 10.00 N ATOM 0 H LYS A 45 4.794 0.068 3.106 1.00 10.00 H new ATOM 0 HA LYS A 45 5.761 -2.567 3.181 1.00 10.00 H new ATOM 0 HB2 LYS A 45 6.350 -0.053 4.780 1.00 10.00 H new ATOM 0 HB3 LYS A 45 7.217 -1.549 5.060 1.00 10.00 H new ATOM 0 HG2 LYS A 45 7.921 -1.551 2.651 1.00 10.00 H new ATOM 0 HG3 LYS A 45 7.123 -0.005 2.444 1.00 10.00 H new ATOM 0 HD2 LYS A 45 8.587 1.015 4.150 1.00 10.00 H new ATOM 0 HD3 LYS A 45 9.344 -0.535 4.460 1.00 10.00 H new ATOM 0 HE2 LYS A 45 10.134 -0.609 2.091 1.00 10.00 H new ATOM 0 HE3 LYS A 45 9.400 0.956 1.805 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 11.752 1.163 2.270 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 10.850 1.914 3.497 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 11.561 0.397 3.773 1.00 10.00 H new ATOM 495 N ALA A 46 4.004 -1.619 5.808 1.00 10.00 N ATOM 496 CA ALA A 46 3.316 -2.110 7.000 1.00 10.00 C ATOM 497 C ALA A 46 2.412 -3.296 6.672 1.00 10.00 C ATOM 498 O ALA A 46 2.440 -4.321 7.360 1.00 10.00 O ATOM 499 CB ALA A 46 2.510 -0.990 7.642 1.00 10.00 C ATOM 0 H ALA A 46 3.833 -0.635 5.599 1.00 10.00 H new ATOM 0 HA ALA A 46 4.072 -2.453 7.707 1.00 10.00 H new ATOM 0 HB1 ALA A 46 2.002 -1.369 8.529 1.00 10.00 H new ATOM 0 HB2 ALA A 46 3.179 -0.177 7.926 1.00 10.00 H new ATOM 0 HB3 ALA A 46 1.771 -0.620 6.931 1.00 10.00 H new ATOM 505 N TYR A 47 1.620 -3.156 5.616 1.00 10.00 N ATOM 506 CA TYR A 47 0.713 -4.218 5.201 1.00 10.00 C ATOM 507 C TYR A 47 1.499 -5.414 4.676 1.00 10.00 C ATOM 508 O TYR A 47 1.215 -6.561 5.025 1.00 10.00 O ATOM 509 CB TYR A 47 -0.252 -3.707 4.125 1.00 10.00 C ATOM 510 CG TYR A 47 -1.150 -4.781 3.551 1.00 10.00 C ATOM 511 CD1 TYR A 47 -0.873 -5.356 2.314 1.00 10.00 C ATOM 512 CD2 TYR A 47 -2.270 -5.226 4.244 1.00 10.00 C ATOM 513 CE1 TYR A 47 -1.684 -6.340 1.787 1.00 10.00 C ATOM 514 CE2 TYR A 47 -3.087 -6.210 3.721 1.00 10.00 C ATOM 515 CZ TYR A 47 -2.789 -6.764 2.493 1.00 10.00 C ATOM 516 OH TYR A 47 -3.593 -7.748 1.970 1.00 10.00 O ATOM 0 H TYR A 47 1.588 -2.320 5.033 1.00 10.00 H new ATOM 0 HA TYR A 47 0.134 -4.534 6.068 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -0.872 -2.918 4.551 1.00 10.00 H new ATOM 0 HB3 TYR A 47 0.325 -3.258 3.316 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -0.008 -5.026 1.757 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -2.505 -4.796 5.206 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -1.454 -6.776 0.826 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -3.955 -6.544 4.271 1.00 10.00 H new ATOM 0 HH TYR A 47 -4.328 -7.934 2.591 1.00 10.00 H new ATOM 526 N CYS A 48 2.495 -5.134 3.848 1.00 10.00 N ATOM 527 CA CYS A 48 3.327 -6.175 3.263 1.00 10.00 C ATOM 528 C CYS A 48 4.042 -6.983 4.342 1.00 10.00 C ATOM 529 O CYS A 48 4.142 -8.208 4.247 1.00 10.00 O ATOM 530 CB CYS A 48 4.344 -5.555 2.308 1.00 10.00 C ATOM 531 SG CYS A 48 4.868 -6.660 0.987 1.00 10.00 S ATOM 0 H CYS A 48 2.748 -4.187 3.565 1.00 10.00 H new ATOM 0 HA CYS A 48 2.680 -6.855 2.708 1.00 10.00 H new ATOM 0 HB2 CYS A 48 3.913 -4.656 1.867 1.00 10.00 H new ATOM 0 HB3 CYS A 48 5.220 -5.243 2.877 1.00 10.00 H new ATOM 0 HG CYS A 48 5.932 -7.308 1.359 1.00 10.00 H new ATOM 537 N GLU A 49 4.535 -6.296 5.366 1.00 10.00 N ATOM 538 CA GLU A 49 5.232 -6.950 6.463 1.00 10.00 C ATOM 539 C GLU A 49 4.289 -7.846 7.255 1.00 10.00 C ATOM 540 O GLU A 49 4.677 -8.926 7.704 1.00 10.00 O ATOM 541 CB GLU A 49 5.869 -5.913 7.385 1.00 10.00 C ATOM 542 CG GLU A 49 7.332 -5.661 7.074 1.00 10.00 C ATOM 543 CD GLU A 49 8.118 -6.950 6.945 1.00 10.00 C ATOM 544 OE1 GLU A 49 8.134 -7.741 7.911 1.00 10.00 O ATOM 545 OE2 GLU A 49 8.720 -7.180 5.878 1.00 10.00 O ATOM 0 H GLU A 49 4.464 -5.283 5.458 1.00 10.00 H new ATOM 0 HA GLU A 49 6.018 -7.573 6.036 1.00 10.00 H new ATOM 0 HB2 GLU A 49 5.319 -4.975 7.303 1.00 10.00 H new ATOM 0 HB3 GLU A 49 5.775 -6.248 8.418 1.00 10.00 H new ATOM 0 HG2 GLU A 49 7.412 -5.094 6.147 1.00 10.00 H new ATOM 0 HG3 GLU A 49 7.769 -5.048 7.862 1.00 10.00 H new ATOM 552 N ARG A 50 3.047 -7.405 7.409 1.00 10.00 N ATOM 553 CA ARG A 50 2.056 -8.178 8.143 1.00 10.00 C ATOM 554 C ARG A 50 1.733 -9.465 7.395 1.00 10.00 C ATOM 555 O ARG A 50 1.486 -10.509 8.004 1.00 10.00 O ATOM 556 CB ARG A 50 0.786 -7.358 8.363 1.00 10.00 C ATOM 557 CG ARG A 50 -0.188 -8.009 9.326 1.00 10.00 C ATOM 558 CD ARG A 50 -0.726 -7.003 10.323 1.00 10.00 C ATOM 559 NE ARG A 50 -1.716 -7.594 11.222 1.00 10.00 N ATOM 560 CZ ARG A 50 -2.709 -6.908 11.782 1.00 10.00 C ATOM 561 NH1 ARG A 50 -2.797 -5.597 11.592 1.00 10.00 N ATOM 562 NH2 ARG A 50 -3.598 -7.524 12.553 1.00 10.00 N ATOM 0 H ARG A 50 2.704 -6.520 7.037 1.00 10.00 H new ATOM 0 HA ARG A 50 2.471 -8.433 9.118 1.00 10.00 H new ATOM 0 HB2 ARG A 50 1.059 -6.373 8.743 1.00 10.00 H new ATOM 0 HB3 ARG A 50 0.291 -7.204 7.404 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -1.014 -8.451 8.769 1.00 10.00 H new ATOM 0 HG3 ARG A 50 0.309 -8.821 9.857 1.00 10.00 H new ATOM 0 HD2 ARG A 50 0.099 -6.598 10.909 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -1.177 -6.168 9.787 1.00 10.00 H new ATOM 0 HE ARG A 50 -1.641 -8.589 11.432 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -2.104 -5.117 11.017 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -3.558 -5.069 12.021 1.00 10.00 H new ATOM 0 HH21 ARG A 50 -3.521 -8.528 12.718 1.00 10.00 H new ATOM 0 HH22 ARG A 50 -4.357 -6.993 12.980 1.00 10.00 H new ATOM 576 N GLN A 51 1.739 -9.389 6.071 1.00 10.00 N ATOM 577 CA GLN A 51 1.464 -10.557 5.247 1.00 10.00 C ATOM 578 C GLN A 51 2.686 -11.466 5.210 1.00 10.00 C ATOM 579 O GLN A 51 2.566 -12.690 5.210 1.00 10.00 O ATOM 580 CB GLN A 51 1.070 -10.137 3.828 1.00 10.00 C ATOM 581 CG GLN A 51 -0.151 -9.229 3.780 1.00 10.00 C ATOM 582 CD GLN A 51 -1.350 -9.814 4.505 1.00 10.00 C ATOM 583 OE1 GLN A 51 -1.522 -9.618 5.708 1.00 10.00 O ATOM 584 NE2 GLN A 51 -2.192 -10.527 3.776 1.00 10.00 N ATOM 0 H GLN A 51 1.930 -8.535 5.547 1.00 10.00 H new ATOM 0 HA GLN A 51 0.629 -11.103 5.685 1.00 10.00 H new ATOM 0 HB2 GLN A 51 1.912 -9.625 3.362 1.00 10.00 H new ATOM 0 HB3 GLN A 51 0.872 -11.030 3.235 1.00 10.00 H new ATOM 0 HG2 GLN A 51 0.101 -8.266 4.223 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -0.418 -9.041 2.740 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -2.014 -10.666 2.781 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -3.020 -10.937 4.208 1.00 10.00 H new ATOM 593 N GLY A 52 3.859 -10.853 5.203 1.00 10.00 N ATOM 594 CA GLY A 52 5.092 -11.611 5.181 1.00 10.00 C ATOM 595 C GLY A 52 5.647 -11.756 3.783 1.00 10.00 C ATOM 596 O GLY A 52 6.175 -12.806 3.426 1.00 10.00 O ATOM 0 H GLY A 52 3.980 -9.840 5.212 1.00 10.00 H new ATOM 0 HA2 GLY A 52 5.830 -11.119 5.814 1.00 10.00 H new ATOM 0 HA3 GLY A 52 4.917 -12.600 5.605 1.00 10.00 H new ATOM 600 N LEU A 53 5.525 -10.703 2.991 1.00 10.00 N ATOM 601 CA LEU A 53 6.019 -10.720 1.622 1.00 10.00 C ATOM 602 C LEU A 53 6.862 -9.483 1.340 1.00 10.00 C ATOM 603 O LEU A 53 6.877 -8.537 2.132 1.00 10.00 O ATOM 604 CB LEU A 53 4.850 -10.788 0.634 1.00 10.00 C ATOM 605 CG LEU A 53 4.013 -12.069 0.693 1.00 10.00 C ATOM 606 CD1 LEU A 53 2.752 -11.919 -0.141 1.00 10.00 C ATOM 607 CD2 LEU A 53 4.823 -13.263 0.209 1.00 10.00 C ATOM 0 H LEU A 53 5.088 -9.825 3.272 1.00 10.00 H new ATOM 0 HA LEU A 53 6.643 -11.605 1.496 1.00 10.00 H new ATOM 0 HB2 LEU A 53 4.194 -9.937 0.815 1.00 10.00 H new ATOM 0 HB3 LEU A 53 5.244 -10.678 -0.376 1.00 10.00 H new ATOM 0 HG LEU A 53 3.728 -12.242 1.731 1.00 10.00 H new ATOM 0 HD11 LEU A 53 2.169 -12.838 -0.088 1.00 10.00 H new ATOM 0 HD12 LEU A 53 2.158 -11.090 0.244 1.00 10.00 H new ATOM 0 HD13 LEU A 53 3.023 -11.721 -1.178 1.00 10.00 H new ATOM 0 HD21 LEU A 53 4.210 -14.163 0.259 1.00 10.00 H new ATOM 0 HD22 LEU A 53 5.138 -13.095 -0.821 1.00 10.00 H new ATOM 0 HD23 LEU A 53 5.702 -13.387 0.842 1.00 10.00 H new ATOM 619 N SER A 54 7.551 -9.492 0.211 1.00 10.00 N ATOM 620 CA SER A 54 8.388 -8.376 -0.190 1.00 10.00 C ATOM 621 C SER A 54 7.543 -7.313 -0.877 1.00 10.00 C ATOM 622 O SER A 54 6.596 -7.635 -1.599 1.00 10.00 O ATOM 623 CB SER A 54 9.501 -8.859 -1.126 1.00 10.00 C ATOM 624 OG SER A 54 10.075 -7.782 -1.851 1.00 10.00 O ATOM 0 H SER A 54 7.546 -10.269 -0.450 1.00 10.00 H new ATOM 0 HA SER A 54 8.846 -7.940 0.698 1.00 10.00 H new ATOM 0 HB2 SER A 54 10.275 -9.361 -0.545 1.00 10.00 H new ATOM 0 HB3 SER A 54 9.098 -9.594 -1.823 1.00 10.00 H new ATOM 0 HG SER A 54 10.782 -8.123 -2.437 1.00 10.00 H new ATOM 630 N MET A 55 7.894 -6.048 -0.666 1.00 10.00 N ATOM 631 CA MET A 55 7.158 -4.933 -1.256 1.00 10.00 C ATOM 632 C MET A 55 7.224 -4.966 -2.783 1.00 10.00 C ATOM 633 O MET A 55 6.422 -4.330 -3.465 1.00 10.00 O ATOM 634 CB MET A 55 7.707 -3.601 -0.737 1.00 10.00 C ATOM 635 CG MET A 55 6.787 -2.417 -0.999 1.00 10.00 C ATOM 636 SD MET A 55 7.461 -0.857 -0.388 1.00 10.00 S ATOM 637 CE MET A 55 8.828 -0.607 -1.519 1.00 10.00 C ATOM 0 H MET A 55 8.687 -5.768 -0.088 1.00 10.00 H new ATOM 0 HA MET A 55 6.113 -5.031 -0.961 1.00 10.00 H new ATOM 0 HB2 MET A 55 7.882 -3.683 0.336 1.00 10.00 H new ATOM 0 HB3 MET A 55 8.673 -3.410 -1.204 1.00 10.00 H new ATOM 0 HG2 MET A 55 6.606 -2.334 -2.071 1.00 10.00 H new ATOM 0 HG3 MET A 55 5.822 -2.601 -0.526 1.00 10.00 H new ATOM 0 HE1 MET A 55 9.175 0.424 -1.449 1.00 10.00 H new ATOM 0 HE2 MET A 55 9.643 -1.282 -1.259 1.00 10.00 H new ATOM 0 HE3 MET A 55 8.499 -0.810 -2.538 1.00 10.00 H new ATOM 647 N ARG A 56 8.175 -5.716 -3.321 1.00 10.00 N ATOM 648 CA ARG A 56 8.329 -5.819 -4.763 1.00 10.00 C ATOM 649 C ARG A 56 7.534 -7.004 -5.319 1.00 10.00 C ATOM 650 O ARG A 56 7.464 -7.201 -6.532 1.00 10.00 O ATOM 651 CB ARG A 56 9.808 -5.951 -5.135 1.00 10.00 C ATOM 652 CG ARG A 56 10.093 -5.647 -6.595 1.00 10.00 C ATOM 653 CD ARG A 56 11.561 -5.832 -6.928 1.00 10.00 C ATOM 654 NE ARG A 56 11.846 -5.540 -8.332 1.00 10.00 N ATOM 655 CZ ARG A 56 12.832 -4.739 -8.742 1.00 10.00 C ATOM 656 NH1 ARG A 56 13.610 -4.122 -7.861 1.00 10.00 N ATOM 657 NH2 ARG A 56 13.039 -4.554 -10.038 1.00 10.00 N ATOM 0 H ARG A 56 8.849 -6.260 -2.782 1.00 10.00 H new ATOM 0 HA ARG A 56 7.934 -4.906 -5.209 1.00 10.00 H new ATOM 0 HB2 ARG A 56 10.394 -5.276 -4.510 1.00 10.00 H new ATOM 0 HB3 ARG A 56 10.142 -6.964 -4.911 1.00 10.00 H new ATOM 0 HG2 ARG A 56 9.491 -6.300 -7.227 1.00 10.00 H new ATOM 0 HG3 ARG A 56 9.795 -4.623 -6.819 1.00 10.00 H new ATOM 0 HD2 ARG A 56 12.161 -5.180 -6.293 1.00 10.00 H new ATOM 0 HD3 ARG A 56 11.857 -6.857 -6.704 1.00 10.00 H new ATOM 0 HE ARG A 56 11.256 -5.975 -9.041 1.00 10.00 H new ATOM 0 HH11 ARG A 56 13.457 -4.258 -6.862 1.00 10.00 H new ATOM 0 HH12 ARG A 56 14.361 -3.512 -8.183 1.00 10.00 H new ATOM 0 HH21 ARG A 56 12.445 -5.024 -10.721 1.00 10.00 H new ATOM 0 HH22 ARG A 56 13.792 -3.942 -10.352 1.00 10.00 H new ATOM 671 N GLN A 57 6.915 -7.774 -4.434 1.00 10.00 N ATOM 672 CA GLN A 57 6.129 -8.935 -4.850 1.00 10.00 C ATOM 673 C GLN A 57 4.668 -8.556 -5.085 1.00 10.00 C ATOM 674 O GLN A 57 3.909 -9.313 -5.691 1.00 10.00 O ATOM 675 CB GLN A 57 6.223 -10.047 -3.805 1.00 10.00 C ATOM 676 CG GLN A 57 7.509 -10.857 -3.893 1.00 10.00 C ATOM 677 CD GLN A 57 7.701 -11.778 -2.705 1.00 10.00 C ATOM 678 OE1 GLN A 57 7.264 -11.482 -1.597 1.00 10.00 O ATOM 679 NE2 GLN A 57 8.361 -12.902 -2.927 1.00 10.00 N ATOM 0 H GLN A 57 6.940 -7.619 -3.426 1.00 10.00 H new ATOM 0 HA GLN A 57 6.542 -9.299 -5.791 1.00 10.00 H new ATOM 0 HB2 GLN A 57 6.147 -9.607 -2.811 1.00 10.00 H new ATOM 0 HB3 GLN A 57 5.372 -10.718 -3.922 1.00 10.00 H new ATOM 0 HG2 GLN A 57 7.499 -11.448 -4.809 1.00 10.00 H new ATOM 0 HG3 GLN A 57 8.358 -10.177 -3.962 1.00 10.00 H new ATOM 0 HE21 GLN A 57 8.709 -13.113 -3.862 1.00 10.00 H new ATOM 0 HE22 GLN A 57 8.522 -13.558 -2.163 1.00 10.00 H new ATOM 688 N ILE A 58 4.277 -7.386 -4.603 1.00 10.00 N ATOM 689 CA ILE A 58 2.911 -6.914 -4.771 1.00 10.00 C ATOM 690 C ILE A 58 2.899 -5.503 -5.348 1.00 10.00 C ATOM 691 O ILE A 58 3.947 -4.865 -5.458 1.00 10.00 O ATOM 692 CB ILE A 58 2.128 -6.930 -3.440 1.00 10.00 C ATOM 693 CG1 ILE A 58 2.904 -6.187 -2.346 1.00 10.00 C ATOM 694 CG2 ILE A 58 1.832 -8.363 -3.013 1.00 10.00 C ATOM 695 CD1 ILE A 58 2.149 -6.079 -1.037 1.00 10.00 C ATOM 0 H ILE A 58 4.886 -6.746 -4.093 1.00 10.00 H new ATOM 0 HA ILE A 58 2.420 -7.598 -5.464 1.00 10.00 H new ATOM 0 HB ILE A 58 1.180 -6.415 -3.593 1.00 10.00 H new ATOM 0 HG12 ILE A 58 3.849 -6.700 -2.170 1.00 10.00 H new ATOM 0 HG13 ILE A 58 3.146 -5.185 -2.700 1.00 10.00 H new ATOM 0 HG21 ILE A 58 1.280 -8.356 -2.073 1.00 10.00 H new ATOM 0 HG22 ILE A 58 1.235 -8.856 -3.781 1.00 10.00 H new ATOM 0 HG23 ILE A 58 2.769 -8.904 -2.879 1.00 10.00 H new ATOM 0 HD11 ILE A 58 2.757 -5.542 -0.309 1.00 10.00 H new ATOM 0 HD12 ILE A 58 1.216 -5.539 -1.199 1.00 10.00 H new ATOM 0 HD13 ILE A 58 1.930 -7.078 -0.660 1.00 10.00 H new ATOM 707 N ARG A 59 1.722 -5.027 -5.737 1.00 10.00 N ATOM 708 CA ARG A 59 1.579 -3.689 -6.302 1.00 10.00 C ATOM 709 C ARG A 59 0.356 -2.994 -5.714 1.00 10.00 C ATOM 710 O ARG A 59 -0.708 -3.601 -5.580 1.00 10.00 O ATOM 711 CB ARG A 59 1.456 -3.751 -7.831 1.00 10.00 C ATOM 712 CG ARG A 59 2.725 -4.198 -8.544 1.00 10.00 C ATOM 713 CD ARG A 59 3.907 -3.297 -8.215 1.00 10.00 C ATOM 714 NE ARG A 59 5.095 -3.643 -8.996 1.00 10.00 N ATOM 715 CZ ARG A 59 5.983 -4.576 -8.642 1.00 10.00 C ATOM 716 NH1 ARG A 59 5.839 -5.242 -7.499 1.00 10.00 N ATOM 717 NH2 ARG A 59 7.026 -4.830 -9.425 1.00 10.00 N ATOM 0 H ARG A 59 0.849 -5.550 -5.671 1.00 10.00 H new ATOM 0 HA ARG A 59 2.472 -3.118 -6.048 1.00 10.00 H new ATOM 0 HB2 ARG A 59 0.647 -4.434 -8.091 1.00 10.00 H new ATOM 0 HB3 ARG A 59 1.173 -2.766 -8.201 1.00 10.00 H new ATOM 0 HG2 ARG A 59 2.960 -5.224 -8.259 1.00 10.00 H new ATOM 0 HG3 ARG A 59 2.556 -4.197 -9.621 1.00 10.00 H new ATOM 0 HD2 ARG A 59 3.636 -2.259 -8.408 1.00 10.00 H new ATOM 0 HD3 ARG A 59 4.137 -3.374 -7.152 1.00 10.00 H new ATOM 0 HE ARG A 59 5.256 -3.139 -9.868 1.00 10.00 H new ATOM 0 HH11 ARG A 59 5.047 -5.041 -6.888 1.00 10.00 H new ATOM 0 HH12 ARG A 59 6.520 -5.953 -7.234 1.00 10.00 H new ATOM 0 HH21 ARG A 59 7.148 -4.313 -10.296 1.00 10.00 H new ATOM 0 HH22 ARG A 59 7.705 -5.542 -9.155 1.00 10.00 H new ATOM 731 N PHE A 60 0.514 -1.724 -5.363 1.00 10.00 N ATOM 732 CA PHE A 60 -0.574 -0.941 -4.784 1.00 10.00 C ATOM 733 C PHE A 60 -1.106 0.073 -5.787 1.00 10.00 C ATOM 734 O PHE A 60 -0.337 0.712 -6.509 1.00 10.00 O ATOM 735 CB PHE A 60 -0.098 -0.206 -3.530 1.00 10.00 C ATOM 736 CG PHE A 60 0.028 -1.072 -2.309 1.00 10.00 C ATOM 737 CD1 PHE A 60 1.078 -1.968 -2.181 1.00 10.00 C ATOM 738 CD2 PHE A 60 -0.896 -0.978 -1.281 1.00 10.00 C ATOM 739 CE1 PHE A 60 1.201 -2.752 -1.051 1.00 10.00 C ATOM 740 CE2 PHE A 60 -0.777 -1.760 -0.150 1.00 10.00 C ATOM 741 CZ PHE A 60 0.273 -2.649 -0.036 1.00 10.00 C ATOM 0 H PHE A 60 1.389 -1.211 -5.469 1.00 10.00 H new ATOM 0 HA PHE A 60 -1.374 -1.632 -4.517 1.00 10.00 H new ATOM 0 HB2 PHE A 60 0.870 0.250 -3.737 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -0.793 0.605 -3.314 1.00 10.00 H new ATOM 0 HD1 PHE A 60 1.807 -2.054 -2.973 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -1.719 -0.284 -1.366 1.00 10.00 H new ATOM 0 HE1 PHE A 60 2.024 -3.446 -0.962 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -1.504 -1.677 0.644 1.00 10.00 H new ATOM 0 HZ PHE A 60 0.368 -3.263 0.847 1.00 10.00 H new ATOM 751 N ARG A 61 -2.422 0.229 -5.823 1.00 10.00 N ATOM 752 CA ARG A 61 -3.050 1.172 -6.734 1.00 10.00 C ATOM 753 C ARG A 61 -4.117 1.990 -6.023 1.00 10.00 C ATOM 754 O ARG A 61 -4.832 1.484 -5.159 1.00 10.00 O ATOM 755 CB ARG A 61 -3.678 0.447 -7.923 1.00 10.00 C ATOM 756 CG ARG A 61 -2.676 0.044 -8.989 1.00 10.00 C ATOM 757 CD ARG A 61 -3.355 -0.664 -10.147 1.00 10.00 C ATOM 758 NE ARG A 61 -2.448 -1.592 -10.814 1.00 10.00 N ATOM 759 CZ ARG A 61 -2.830 -2.742 -11.363 1.00 10.00 C ATOM 760 NH1 ARG A 61 -4.111 -3.073 -11.401 1.00 10.00 N ATOM 761 NH2 ARG A 61 -1.928 -3.551 -11.899 1.00 10.00 N ATOM 0 H ARG A 61 -3.074 -0.286 -5.231 1.00 10.00 H new ATOM 0 HA ARG A 61 -2.270 1.842 -7.096 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -4.192 -0.445 -7.564 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -4.434 1.091 -8.372 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -2.157 0.929 -9.356 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -1.921 -0.610 -8.553 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -4.227 -1.206 -9.782 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -3.715 0.073 -10.865 1.00 10.00 H new ATOM 0 HE ARG A 61 -1.460 -1.344 -10.862 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -4.812 -2.445 -11.008 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -4.397 -3.956 -11.823 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -0.941 -3.292 -11.891 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -2.220 -4.433 -12.320 1.00 10.00 H new ATOM 775 N PHE A 62 -4.215 3.254 -6.393 1.00 10.00 N ATOM 776 CA PHE A 62 -5.203 4.145 -5.815 1.00 10.00 C ATOM 777 C PHE A 62 -6.238 4.495 -6.873 1.00 10.00 C ATOM 778 O PHE A 62 -5.998 5.362 -7.716 1.00 10.00 O ATOM 779 CB PHE A 62 -4.533 5.415 -5.270 1.00 10.00 C ATOM 780 CG PHE A 62 -5.504 6.492 -4.864 1.00 10.00 C ATOM 781 CD1 PHE A 62 -6.437 6.266 -3.865 1.00 10.00 C ATOM 782 CD2 PHE A 62 -5.483 7.729 -5.488 1.00 10.00 C ATOM 783 CE1 PHE A 62 -7.330 7.252 -3.498 1.00 10.00 C ATOM 784 CE2 PHE A 62 -6.374 8.719 -5.123 1.00 10.00 C ATOM 785 CZ PHE A 62 -7.298 8.481 -4.129 1.00 10.00 C ATOM 0 H PHE A 62 -3.617 3.688 -7.096 1.00 10.00 H new ATOM 0 HA PHE A 62 -5.696 3.645 -4.981 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -3.920 5.149 -4.409 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -3.860 5.814 -6.030 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -6.466 5.308 -3.368 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -4.762 7.921 -6.269 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -8.053 7.063 -2.718 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -6.347 9.679 -5.616 1.00 10.00 H new ATOM 0 HZ PHE A 62 -7.996 9.254 -3.843 1.00 10.00 H new ATOM 795 N ASP A 63 -7.361 3.769 -6.852 1.00 10.00 N ATOM 796 CA ASP A 63 -8.465 3.971 -7.804 1.00 10.00 C ATOM 797 C ASP A 63 -8.094 3.463 -9.201 1.00 10.00 C ATOM 798 O ASP A 63 -8.833 2.685 -9.808 1.00 10.00 O ATOM 799 CB ASP A 63 -8.882 5.447 -7.863 1.00 10.00 C ATOM 800 CG ASP A 63 -9.812 5.743 -9.021 1.00 10.00 C ATOM 801 OD1 ASP A 63 -10.968 5.270 -8.999 1.00 10.00 O ATOM 802 OD2 ASP A 63 -9.393 6.455 -9.956 1.00 10.00 O ATOM 0 H ASP A 63 -7.533 3.025 -6.176 1.00 10.00 H new ATOM 0 HA ASP A 63 -9.315 3.390 -7.446 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -9.373 5.720 -6.929 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -7.991 6.069 -7.949 1.00 10.00 H new ATOM 807 N GLY A 64 -6.953 3.907 -9.699 1.00 10.00 N ATOM 808 CA GLY A 64 -6.485 3.493 -11.004 1.00 10.00 C ATOM 809 C GLY A 64 -4.982 3.628 -11.120 1.00 10.00 C ATOM 810 O GLY A 64 -4.291 2.687 -11.504 1.00 10.00 O ATOM 0 H GLY A 64 -6.334 4.557 -9.215 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -6.774 2.458 -11.184 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -6.967 4.097 -11.773 1.00 10.00 H new ATOM 814 N GLN A 65 -4.476 4.801 -10.766 1.00 10.00 N ATOM 815 CA GLN A 65 -3.044 5.075 -10.823 1.00 10.00 C ATOM 816 C GLN A 65 -2.309 4.390 -9.673 1.00 10.00 C ATOM 817 O GLN A 65 -2.803 4.355 -8.544 1.00 10.00 O ATOM 818 CB GLN A 65 -2.793 6.584 -10.768 1.00 10.00 C ATOM 819 CG GLN A 65 -2.924 7.276 -12.114 1.00 10.00 C ATOM 820 CD GLN A 65 -1.834 6.870 -13.087 1.00 10.00 C ATOM 821 OE1 GLN A 65 -2.000 5.937 -13.874 1.00 10.00 O ATOM 822 NE2 GLN A 65 -0.709 7.563 -13.036 1.00 10.00 N ATOM 0 H GLN A 65 -5.039 5.584 -10.434 1.00 10.00 H new ATOM 0 HA GLN A 65 -2.662 4.678 -11.764 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -3.497 7.035 -10.068 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -1.793 6.763 -10.374 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -3.897 7.042 -12.546 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -2.892 8.356 -11.968 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -0.612 8.329 -12.369 1.00 10.00 H new ATOM 0 HE22 GLN A 65 0.061 7.332 -13.663 1.00 10.00 H new ATOM 831 N PRO A 66 -1.129 3.814 -9.951 1.00 10.00 N ATOM 832 CA PRO A 66 -0.318 3.147 -8.932 1.00 10.00 C ATOM 833 C PRO A 66 0.295 4.145 -7.954 1.00 10.00 C ATOM 834 O PRO A 66 0.626 5.275 -8.325 1.00 10.00 O ATOM 835 CB PRO A 66 0.772 2.442 -9.743 1.00 10.00 C ATOM 836 CG PRO A 66 0.877 3.228 -11.004 1.00 10.00 C ATOM 837 CD PRO A 66 -0.504 3.754 -11.286 1.00 10.00 C ATOM 0 HA PRO A 66 -0.906 2.465 -8.317 1.00 10.00 H new ATOM 0 HB2 PRO A 66 1.720 2.429 -9.205 1.00 10.00 H new ATOM 0 HB3 PRO A 66 0.506 1.404 -9.945 1.00 10.00 H new ATOM 0 HG2 PRO A 66 1.590 4.045 -10.895 1.00 10.00 H new ATOM 0 HG3 PRO A 66 1.231 2.603 -11.824 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -0.471 4.736 -11.758 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -1.055 3.096 -11.958 1.00 10.00 H new ATOM 845 N ILE A 67 0.447 3.727 -6.708 1.00 10.00 N ATOM 846 CA ILE A 67 1.011 4.586 -5.676 1.00 10.00 C ATOM 847 C ILE A 67 2.527 4.686 -5.826 1.00 10.00 C ATOM 848 O ILE A 67 3.197 3.695 -6.127 1.00 10.00 O ATOM 849 CB ILE A 67 0.661 4.064 -4.263 1.00 10.00 C ATOM 850 CG1 ILE A 67 -0.860 3.962 -4.101 1.00 10.00 C ATOM 851 CG2 ILE A 67 1.252 4.965 -3.187 1.00 10.00 C ATOM 852 CD1 ILE A 67 -1.298 3.461 -2.739 1.00 10.00 C ATOM 0 H ILE A 67 0.187 2.795 -6.385 1.00 10.00 H new ATOM 0 HA ILE A 67 0.575 5.577 -5.799 1.00 10.00 H new ATOM 0 HB ILE A 67 1.096 3.071 -4.146 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -1.301 4.943 -4.276 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -1.254 3.294 -4.867 1.00 10.00 H new ATOM 0 HG21 ILE A 67 0.991 4.576 -2.203 1.00 10.00 H new ATOM 0 HG22 ILE A 67 2.337 4.992 -3.291 1.00 10.00 H new ATOM 0 HG23 ILE A 67 0.852 5.973 -3.296 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -2.386 3.416 -2.701 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -0.887 2.466 -2.568 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -0.936 4.141 -1.968 1.00 10.00 H new ATOM 864 N ASN A 68 3.058 5.889 -5.651 1.00 10.00 N ATOM 865 CA ASN A 68 4.494 6.113 -5.749 1.00 10.00 C ATOM 866 C ASN A 68 5.151 5.876 -4.394 1.00 10.00 C ATOM 867 O ASN A 68 4.486 5.908 -3.357 1.00 10.00 O ATOM 868 CB ASN A 68 4.804 7.538 -6.221 1.00 10.00 C ATOM 869 CG ASN A 68 4.445 7.771 -7.675 1.00 10.00 C ATOM 870 OD1 ASN A 68 5.221 7.458 -8.578 1.00 10.00 O ATOM 871 ND2 ASN A 68 3.273 8.334 -7.910 1.00 10.00 N ATOM 0 H ASN A 68 2.515 6.726 -5.440 1.00 10.00 H new ATOM 0 HA ASN A 68 4.893 5.412 -6.482 1.00 10.00 H new ATOM 0 HB2 ASN A 68 4.258 8.248 -5.599 1.00 10.00 H new ATOM 0 HB3 ASN A 68 5.866 7.740 -6.078 1.00 10.00 H new ATOM 0 HD21 ASN A 68 2.982 8.525 -8.869 1.00 10.00 H new ATOM 0 HD22 ASN A 68 2.659 8.578 -7.133 1.00 10.00 H new ATOM 878 N GLU A 69 6.460 5.673 -4.404 1.00 10.00 N ATOM 879 CA GLU A 69 7.208 5.424 -3.176 1.00 10.00 C ATOM 880 C GLU A 69 7.390 6.710 -2.372 1.00 10.00 C ATOM 881 O GLU A 69 7.961 6.704 -1.281 1.00 10.00 O ATOM 882 CB GLU A 69 8.563 4.805 -3.509 1.00 10.00 C ATOM 883 CG GLU A 69 8.450 3.452 -4.191 1.00 10.00 C ATOM 884 CD GLU A 69 9.738 3.017 -4.855 1.00 10.00 C ATOM 885 OE1 GLU A 69 10.781 2.977 -4.171 1.00 10.00 O ATOM 886 OE2 GLU A 69 9.709 2.699 -6.062 1.00 10.00 O ATOM 0 H GLU A 69 7.029 5.675 -5.250 1.00 10.00 H new ATOM 0 HA GLU A 69 6.639 4.725 -2.562 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.117 5.486 -4.155 1.00 10.00 H new ATOM 0 HB3 GLU A 69 9.141 4.695 -2.591 1.00 10.00 H new ATOM 0 HG2 GLU A 69 8.156 2.704 -3.455 1.00 10.00 H new ATOM 0 HG3 GLU A 69 7.658 3.493 -4.938 1.00 10.00 H new ATOM 893 N THR A 70 6.900 7.813 -2.916 1.00 10.00 N ATOM 894 CA THR A 70 6.992 9.102 -2.253 1.00 10.00 C ATOM 895 C THR A 70 5.622 9.770 -2.190 1.00 10.00 C ATOM 896 O THR A 70 5.512 10.969 -1.941 1.00 10.00 O ATOM 897 CB THR A 70 7.989 10.024 -2.980 1.00 10.00 C ATOM 898 OG1 THR A 70 8.435 9.398 -4.195 1.00 10.00 O ATOM 899 CG2 THR A 70 9.188 10.324 -2.095 1.00 10.00 C ATOM 0 H THR A 70 6.431 7.840 -3.822 1.00 10.00 H new ATOM 0 HA THR A 70 7.351 8.932 -1.238 1.00 10.00 H new ATOM 0 HB THR A 70 7.483 10.961 -3.214 1.00 10.00 H new ATOM 0 HG1 THR A 70 9.067 9.989 -4.654 1.00 10.00 H new ATOM 0 HG21 THR A 70 9.879 10.977 -2.628 1.00 10.00 H new ATOM 0 HG22 THR A 70 8.853 10.818 -1.183 1.00 10.00 H new ATOM 0 HG23 THR A 70 9.693 9.393 -1.838 1.00 10.00 H new ATOM 907 N ASP A 71 4.576 8.977 -2.399 1.00 10.00 N ATOM 908 CA ASP A 71 3.210 9.490 -2.384 1.00 10.00 C ATOM 909 C ASP A 71 2.674 9.591 -0.961 1.00 10.00 C ATOM 910 O ASP A 71 3.087 8.844 -0.072 1.00 10.00 O ATOM 911 CB ASP A 71 2.281 8.600 -3.217 1.00 10.00 C ATOM 912 CG ASP A 71 2.019 9.156 -4.604 1.00 10.00 C ATOM 913 OD1 ASP A 71 2.035 10.394 -4.766 1.00 10.00 O ATOM 914 OD2 ASP A 71 1.795 8.355 -5.538 1.00 10.00 O ATOM 0 H ASP A 71 4.648 7.976 -2.581 1.00 10.00 H new ATOM 0 HA ASP A 71 3.235 10.488 -2.822 1.00 10.00 H new ATOM 0 HB2 ASP A 71 2.721 7.607 -3.306 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.333 8.482 -2.693 1.00 10.00 H new ATOM 919 N THR A 72 1.757 10.523 -0.754 1.00 10.00 N ATOM 920 CA THR A 72 1.140 10.731 0.546 1.00 10.00 C ATOM 921 C THR A 72 -0.366 10.884 0.373 1.00 10.00 C ATOM 922 O THR A 72 -0.832 11.194 -0.728 1.00 10.00 O ATOM 923 CB THR A 72 1.707 11.989 1.239 1.00 10.00 C ATOM 924 OG1 THR A 72 1.953 13.014 0.269 1.00 10.00 O ATOM 925 CG2 THR A 72 2.992 11.674 1.986 1.00 10.00 C ATOM 0 H THR A 72 1.420 11.155 -1.480 1.00 10.00 H new ATOM 0 HA THR A 72 1.361 9.866 1.172 1.00 10.00 H new ATOM 0 HB THR A 72 0.968 12.337 1.960 1.00 10.00 H new ATOM 0 HG1 THR A 72 2.311 13.809 0.717 1.00 10.00 H new ATOM 0 HG21 THR A 72 3.367 12.579 2.463 1.00 10.00 H new ATOM 0 HG22 THR A 72 2.795 10.918 2.746 1.00 10.00 H new ATOM 0 HG23 THR A 72 3.737 11.298 1.285 1.00 10.00 H new ATOM 933 N PRO A 73 -1.157 10.663 1.441 1.00 10.00 N ATOM 934 CA PRO A 73 -2.617 10.798 1.377 1.00 10.00 C ATOM 935 C PRO A 73 -3.038 12.187 0.905 1.00 10.00 C ATOM 936 O PRO A 73 -3.993 12.334 0.142 1.00 10.00 O ATOM 937 CB PRO A 73 -3.067 10.566 2.823 1.00 10.00 C ATOM 938 CG PRO A 73 -1.962 9.794 3.454 1.00 10.00 C ATOM 939 CD PRO A 73 -0.699 10.251 2.781 1.00 10.00 C ATOM 0 HA PRO A 73 -3.062 10.100 0.667 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -3.233 11.511 3.340 1.00 10.00 H new ATOM 0 HB3 PRO A 73 -4.005 10.013 2.860 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -1.921 9.979 4.527 1.00 10.00 H new ATOM 0 HG3 PRO A 73 -2.109 8.722 3.320 1.00 10.00 H new ATOM 0 HD2 PRO A 73 -0.233 11.077 3.318 1.00 10.00 H new ATOM 0 HD3 PRO A 73 0.039 9.451 2.725 1.00 10.00 H new ATOM 947 N ALA A 74 -2.305 13.202 1.350 1.00 10.00 N ATOM 948 CA ALA A 74 -2.595 14.581 0.976 1.00 10.00 C ATOM 949 C ALA A 74 -2.143 14.873 -0.452 1.00 10.00 C ATOM 950 O ALA A 74 -2.654 15.785 -1.098 1.00 10.00 O ATOM 951 CB ALA A 74 -1.930 15.545 1.946 1.00 10.00 C ATOM 0 H ALA A 74 -1.504 13.095 1.972 1.00 10.00 H new ATOM 0 HA ALA A 74 -3.675 14.721 1.024 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -2.156 16.570 1.653 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -2.305 15.364 2.953 1.00 10.00 H new ATOM 0 HB3 ALA A 74 -0.851 15.392 1.928 1.00 10.00 H new ATOM 957 N GLN A 75 -1.186 14.095 -0.945 1.00 10.00 N ATOM 958 CA GLN A 75 -0.670 14.281 -2.297 1.00 10.00 C ATOM 959 C GLN A 75 -1.642 13.725 -3.329 1.00 10.00 C ATOM 960 O GLN A 75 -1.898 14.350 -4.356 1.00 10.00 O ATOM 961 CB GLN A 75 0.691 13.597 -2.457 1.00 10.00 C ATOM 962 CG GLN A 75 1.382 13.900 -3.778 1.00 10.00 C ATOM 963 CD GLN A 75 1.876 15.331 -3.860 1.00 10.00 C ATOM 964 OE1 GLN A 75 2.290 15.912 -2.859 1.00 10.00 O ATOM 965 NE2 GLN A 75 1.827 15.910 -5.045 1.00 10.00 N ATOM 0 H GLN A 75 -0.752 13.330 -0.429 1.00 10.00 H new ATOM 0 HA GLN A 75 -0.552 15.352 -2.462 1.00 10.00 H new ATOM 0 HB2 GLN A 75 1.341 13.907 -1.639 1.00 10.00 H new ATOM 0 HB3 GLN A 75 0.558 12.519 -2.367 1.00 10.00 H new ATOM 0 HG2 GLN A 75 2.224 13.220 -3.908 1.00 10.00 H new ATOM 0 HG3 GLN A 75 0.690 13.710 -4.598 1.00 10.00 H new ATOM 0 HE21 GLN A 75 1.476 15.393 -5.851 1.00 10.00 H new ATOM 0 HE22 GLN A 75 2.140 16.875 -5.155 1.00 10.00 H new ATOM 974 N LEU A 76 -2.189 12.553 -3.043 1.00 10.00 N ATOM 975 CA LEU A 76 -3.124 11.905 -3.954 1.00 10.00 C ATOM 976 C LEU A 76 -4.555 12.389 -3.734 1.00 10.00 C ATOM 977 O LEU A 76 -5.490 11.848 -4.324 1.00 10.00 O ATOM 978 CB LEU A 76 -3.054 10.386 -3.789 1.00 10.00 C ATOM 979 CG LEU A 76 -1.752 9.742 -4.269 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.781 8.241 -4.033 1.00 10.00 C ATOM 981 CD2 LEU A 76 -1.518 10.042 -5.741 1.00 10.00 C ATOM 0 H LEU A 76 -2.002 12.030 -2.187 1.00 10.00 H new ATOM 0 HA LEU A 76 -2.834 12.173 -4.970 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -3.195 10.143 -2.736 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -3.885 9.938 -4.333 1.00 10.00 H new ATOM 0 HG LEU A 76 -0.928 10.167 -3.695 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -0.847 7.800 -4.381 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -1.902 8.042 -2.968 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -2.615 7.803 -4.581 1.00 10.00 H new ATOM 0 HD21 LEU A 76 -0.587 9.576 -6.064 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -2.346 9.646 -6.329 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -1.453 11.120 -5.887 1.00 10.00 H new ATOM 993 N GLU A 77 -4.714 13.410 -2.888 1.00 10.00 N ATOM 994 CA GLU A 77 -6.030 13.973 -2.583 1.00 10.00 C ATOM 995 C GLU A 77 -6.974 12.884 -2.076 1.00 10.00 C ATOM 996 O GLU A 77 -8.133 12.794 -2.489 1.00 10.00 O ATOM 997 CB GLU A 77 -6.616 14.660 -3.823 1.00 10.00 C ATOM 998 CG GLU A 77 -5.765 15.805 -4.347 1.00 10.00 C ATOM 999 CD GLU A 77 -5.927 17.072 -3.533 1.00 10.00 C ATOM 1000 OE1 GLU A 77 -5.122 17.302 -2.607 1.00 10.00 O ATOM 1001 OE2 GLU A 77 -6.863 17.846 -3.819 1.00 10.00 O ATOM 0 H GLU A 77 -3.942 13.865 -2.400 1.00 10.00 H new ATOM 0 HA GLU A 77 -5.914 14.719 -1.797 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -6.739 13.920 -4.613 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -7.610 15.038 -3.582 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -4.717 15.506 -4.341 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -6.033 16.007 -5.384 1.00 10.00 H new ATOM 1008 N MET A 78 -6.463 12.054 -1.182 1.00 10.00 N ATOM 1009 CA MET A 78 -7.240 10.963 -0.618 1.00 10.00 C ATOM 1010 C MET A 78 -8.091 11.477 0.528 1.00 10.00 C ATOM 1011 O MET A 78 -7.609 12.227 1.379 1.00 10.00 O ATOM 1012 CB MET A 78 -6.316 9.844 -0.132 1.00 10.00 C ATOM 1013 CG MET A 78 -5.309 9.400 -1.177 1.00 10.00 C ATOM 1014 SD MET A 78 -4.086 8.246 -0.525 1.00 10.00 S ATOM 1015 CE MET A 78 -5.058 6.745 -0.431 1.00 10.00 C ATOM 0 H MET A 78 -5.508 12.116 -0.830 1.00 10.00 H new ATOM 0 HA MET A 78 -7.892 10.558 -1.392 1.00 10.00 H new ATOM 0 HB2 MET A 78 -5.782 10.183 0.756 1.00 10.00 H new ATOM 0 HB3 MET A 78 -6.920 8.988 0.167 1.00 10.00 H new ATOM 0 HG2 MET A 78 -5.837 8.931 -2.008 1.00 10.00 H new ATOM 0 HG3 MET A 78 -4.798 10.276 -1.577 1.00 10.00 H new ATOM 0 HE1 MET A 78 -4.576 6.041 0.248 1.00 10.00 H new ATOM 0 HE2 MET A 78 -6.056 6.980 -0.061 1.00 10.00 H new ATOM 0 HE3 MET A 78 -5.134 6.298 -1.422 1.00 10.00 H new ATOM 1025 N GLU A 79 -9.353 11.079 0.542 1.00 10.00 N ATOM 1026 CA GLU A 79 -10.270 11.504 1.584 1.00 10.00 C ATOM 1027 C GLU A 79 -10.427 10.414 2.630 1.00 10.00 C ATOM 1028 O GLU A 79 -9.861 9.328 2.501 1.00 10.00 O ATOM 1029 CB GLU A 79 -11.632 11.859 0.990 1.00 10.00 C ATOM 1030 CG GLU A 79 -11.976 13.334 1.117 1.00 10.00 C ATOM 1031 CD GLU A 79 -11.843 13.840 2.538 1.00 10.00 C ATOM 1032 OE1 GLU A 79 -12.658 13.441 3.398 1.00 10.00 O ATOM 1033 OE2 GLU A 79 -10.918 14.632 2.808 1.00 10.00 O ATOM 0 H GLU A 79 -9.765 10.462 -0.158 1.00 10.00 H new ATOM 0 HA GLU A 79 -9.855 12.392 2.061 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -11.646 11.579 -0.063 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -12.402 11.269 1.487 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -11.322 13.914 0.466 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -12.997 13.497 0.771 1.00 10.00 H new ATOM 1040 N ASP A 80 -11.192 10.710 3.669 1.00 10.00 N ATOM 1041 CA ASP A 80 -11.423 9.752 4.736 1.00 10.00 C ATOM 1042 C ASP A 80 -12.302 8.616 4.233 1.00 10.00 C ATOM 1043 O ASP A 80 -13.257 8.849 3.485 1.00 10.00 O ATOM 1044 CB ASP A 80 -12.072 10.439 5.941 1.00 10.00 C ATOM 1045 CG ASP A 80 -12.061 9.579 7.192 1.00 10.00 C ATOM 1046 OD1 ASP A 80 -12.971 9.742 8.036 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -11.140 8.753 7.347 1.00 10.00 O ATOM 0 H ASP A 80 -11.663 11.606 3.795 1.00 10.00 H new ATOM 0 HA ASP A 80 -10.465 9.340 5.053 1.00 10.00 H new ATOM 0 HB2 ASP A 80 -11.549 11.373 6.145 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -13.102 10.698 5.694 1.00 10.00 H new ATOM 1052 N GLU A 81 -11.949 7.397 4.623 1.00 10.00 N ATOM 1053 CA GLU A 81 -12.676 6.189 4.237 1.00 10.00 C ATOM 1054 C GLU A 81 -12.462 5.849 2.765 1.00 10.00 C ATOM 1055 O GLU A 81 -13.336 5.261 2.123 1.00 10.00 O ATOM 1056 CB GLU A 81 -14.172 6.316 4.536 1.00 10.00 C ATOM 1057 CG GLU A 81 -14.494 6.332 6.017 1.00 10.00 C ATOM 1058 CD GLU A 81 -15.902 5.862 6.296 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -16.709 6.655 6.825 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -16.216 4.698 5.967 1.00 10.00 O ATOM 0 H GLU A 81 -11.143 7.215 5.221 1.00 10.00 H new ATOM 0 HA GLU A 81 -12.273 5.374 4.837 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -14.549 7.232 4.081 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -14.700 5.486 4.067 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -13.787 5.695 6.548 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -14.366 7.343 6.405 1.00 10.00 H new ATOM 1067 N ASP A 82 -11.293 6.206 2.237 1.00 10.00 N ATOM 1068 CA ASP A 82 -10.970 5.912 0.843 1.00 10.00 C ATOM 1069 C ASP A 82 -10.579 4.441 0.708 1.00 10.00 C ATOM 1070 O ASP A 82 -10.555 3.713 1.704 1.00 10.00 O ATOM 1071 CB ASP A 82 -9.841 6.816 0.334 1.00 10.00 C ATOM 1072 CG ASP A 82 -10.013 7.179 -1.131 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -10.313 6.275 -1.940 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -9.853 8.370 -1.481 1.00 10.00 O ATOM 0 H ASP A 82 -10.559 6.695 2.749 1.00 10.00 H new ATOM 0 HA ASP A 82 -11.851 6.108 0.233 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -9.810 7.727 0.931 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -8.884 6.312 0.472 1.00 10.00 H new ATOM 1079 N THR A 83 -10.252 4.003 -0.499 1.00 10.00 N ATOM 1080 CA THR A 83 -9.897 2.608 -0.722 1.00 10.00 C ATOM 1081 C THR A 83 -8.596 2.460 -1.508 1.00 10.00 C ATOM 1082 O THR A 83 -8.306 3.245 -2.413 1.00 10.00 O ATOM 1083 CB THR A 83 -11.024 1.877 -1.477 1.00 10.00 C ATOM 1084 OG1 THR A 83 -12.278 2.537 -1.239 1.00 10.00 O ATOM 1085 CG2 THR A 83 -11.122 0.426 -1.030 1.00 10.00 C ATOM 0 H THR A 83 -10.225 4.588 -1.334 1.00 10.00 H new ATOM 0 HA THR A 83 -9.755 2.161 0.262 1.00 10.00 H new ATOM 0 HB THR A 83 -10.793 1.899 -2.542 1.00 10.00 H new ATOM 0 HG1 THR A 83 -12.991 2.069 -1.723 1.00 10.00 H new ATOM 0 HG21 THR A 83 -11.924 -0.070 -1.577 1.00 10.00 H new ATOM 0 HG22 THR A 83 -10.178 -0.081 -1.231 1.00 10.00 H new ATOM 0 HG23 THR A 83 -11.334 0.388 0.039 1.00 10.00 H new ATOM 1093 N ILE A 84 -7.814 1.451 -1.139 1.00 10.00 N ATOM 1094 CA ILE A 84 -6.551 1.154 -1.801 1.00 10.00 C ATOM 1095 C ILE A 84 -6.562 -0.295 -2.287 1.00 10.00 C ATOM 1096 O ILE A 84 -6.900 -1.207 -1.527 1.00 10.00 O ATOM 1097 CB ILE A 84 -5.344 1.371 -0.858 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.337 2.808 -0.319 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -4.035 1.065 -1.579 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -4.274 3.060 0.732 1.00 10.00 C ATOM 0 H ILE A 84 -8.039 0.817 -0.372 1.00 10.00 H new ATOM 0 HA ILE A 84 -6.445 1.837 -2.644 1.00 10.00 H new ATOM 0 HB ILE A 84 -5.439 0.685 -0.016 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -5.185 3.497 -1.150 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -6.316 3.032 0.106 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -3.199 1.224 -0.898 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -4.038 0.028 -1.914 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -3.932 1.724 -2.441 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -4.330 4.096 1.065 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -4.437 2.396 1.581 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.289 2.869 0.306 1.00 10.00 H new ATOM 1112 N ASP A 85 -6.196 -0.503 -3.546 1.00 10.00 N ATOM 1113 CA ASP A 85 -6.188 -1.839 -4.132 1.00 10.00 C ATOM 1114 C ASP A 85 -4.799 -2.463 -4.069 1.00 10.00 C ATOM 1115 O ASP A 85 -3.795 -1.784 -4.305 1.00 10.00 O ATOM 1116 CB ASP A 85 -6.646 -1.789 -5.593 1.00 10.00 C ATOM 1117 CG ASP A 85 -8.088 -1.348 -5.753 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -8.994 -2.069 -5.289 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -8.327 -0.287 -6.371 1.00 10.00 O ATOM 0 H ASP A 85 -5.900 0.237 -4.182 1.00 10.00 H new ATOM 0 HA ASP A 85 -6.878 -2.452 -3.552 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -6.001 -1.106 -6.146 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -6.523 -2.776 -6.039 1.00 10.00 H new ATOM 1124 N VAL A 86 -4.746 -3.752 -3.747 1.00 10.00 N ATOM 1125 CA VAL A 86 -3.484 -4.483 -3.673 1.00 10.00 C ATOM 1126 C VAL A 86 -3.507 -5.663 -4.636 1.00 10.00 C ATOM 1127 O VAL A 86 -4.382 -6.527 -4.551 1.00 10.00 O ATOM 1128 CB VAL A 86 -3.202 -5.012 -2.251 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -1.805 -5.616 -2.167 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -3.378 -3.913 -1.217 1.00 10.00 C ATOM 0 H VAL A 86 -5.568 -4.316 -3.532 1.00 10.00 H new ATOM 0 HA VAL A 86 -2.694 -3.783 -3.944 1.00 10.00 H new ATOM 0 HB VAL A 86 -3.926 -5.797 -2.033 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -1.627 -5.983 -1.156 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -1.723 -6.443 -2.872 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -1.064 -4.855 -2.412 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -3.173 -4.312 -0.224 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -2.686 -3.098 -1.430 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -4.401 -3.539 -1.254 1.00 10.00 H new ATOM 1140 N PHE A 87 -2.554 -5.694 -5.552 1.00 10.00 N ATOM 1141 CA PHE A 87 -2.470 -6.767 -6.530 1.00 10.00 C ATOM 1142 C PHE A 87 -1.152 -7.516 -6.396 1.00 10.00 C ATOM 1143 O PHE A 87 -0.217 -7.029 -5.760 1.00 10.00 O ATOM 1144 CB PHE A 87 -2.620 -6.208 -7.945 1.00 10.00 C ATOM 1145 CG PHE A 87 -3.965 -5.586 -8.196 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -5.058 -6.375 -8.516 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -4.136 -4.212 -8.109 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -6.297 -5.807 -8.741 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -5.372 -3.641 -8.335 1.00 10.00 C ATOM 1150 CZ PHE A 87 -6.452 -4.437 -8.651 1.00 10.00 C ATOM 0 H PHE A 87 -1.825 -4.986 -5.639 1.00 10.00 H new ATOM 0 HA PHE A 87 -3.284 -7.467 -6.341 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -1.844 -5.462 -8.118 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -2.458 -7.010 -8.665 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -4.940 -7.446 -8.590 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -3.294 -3.583 -7.862 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -7.143 -6.432 -8.987 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -5.493 -2.570 -8.264 1.00 10.00 H new ATOM 0 HZ PHE A 87 -7.419 -3.990 -8.828 1.00 10.00 H new ATOM 1160 N GLN A 88 -1.083 -8.698 -6.992 1.00 10.00 N ATOM 1161 CA GLN A 88 0.118 -9.521 -6.939 1.00 10.00 C ATOM 1162 C GLN A 88 0.941 -9.335 -8.207 1.00 10.00 C ATOM 1163 O GLN A 88 0.389 -9.118 -9.287 1.00 10.00 O ATOM 1164 CB GLN A 88 -0.255 -11.001 -6.782 1.00 10.00 C ATOM 1165 CG GLN A 88 -1.264 -11.275 -5.678 1.00 10.00 C ATOM 1166 CD GLN A 88 -0.670 -11.145 -4.289 1.00 10.00 C ATOM 1167 OE1 GLN A 88 0.513 -11.401 -4.077 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -1.493 -10.759 -3.330 1.00 10.00 N ATOM 0 H GLN A 88 -1.851 -9.111 -7.522 1.00 10.00 H new ATOM 0 HA GLN A 88 0.710 -9.209 -6.078 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -0.659 -11.365 -7.727 1.00 10.00 H new ATOM 0 HB3 GLN A 88 0.651 -11.573 -6.581 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -2.100 -10.582 -5.776 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -1.667 -12.280 -5.803 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -2.469 -10.556 -3.547 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -1.152 -10.664 -2.373 1.00 10.00 H new ATOM 1177 N GLN A 89 2.255 -9.408 -8.076 1.00 10.00 N ATOM 1178 CA GLN A 89 3.138 -9.264 -9.222 1.00 10.00 C ATOM 1179 C GLN A 89 3.221 -10.585 -9.979 1.00 10.00 C ATOM 1180 O GLN A 89 3.358 -11.648 -9.370 1.00 10.00 O ATOM 1181 CB GLN A 89 4.533 -8.811 -8.772 1.00 10.00 C ATOM 1182 CG GLN A 89 5.569 -8.777 -9.887 1.00 10.00 C ATOM 1183 CD GLN A 89 5.170 -7.879 -11.043 1.00 10.00 C ATOM 1184 OE1 GLN A 89 4.486 -6.876 -10.860 1.00 10.00 O ATOM 1185 NE2 GLN A 89 5.590 -8.242 -12.245 1.00 10.00 N ATOM 0 H GLN A 89 2.734 -9.566 -7.189 1.00 10.00 H new ATOM 0 HA GLN A 89 2.733 -8.502 -9.887 1.00 10.00 H new ATOM 0 HB2 GLN A 89 4.455 -7.816 -8.333 1.00 10.00 H new ATOM 0 HB3 GLN A 89 4.884 -9.480 -7.986 1.00 10.00 H new ATOM 0 HG2 GLN A 89 6.521 -8.435 -9.480 1.00 10.00 H new ATOM 0 HG3 GLN A 89 5.727 -9.789 -10.259 1.00 10.00 H new ATOM 0 HE21 GLN A 89 6.157 -9.083 -12.355 1.00 10.00 H new ATOM 0 HE22 GLN A 89 5.347 -7.681 -13.061 1.00 10.00 H new ATOM 1194 N GLN A 90 3.126 -10.510 -11.302 1.00 10.00 N ATOM 1195 CA GLN A 90 3.186 -11.696 -12.151 1.00 10.00 C ATOM 1196 C GLN A 90 4.478 -12.471 -11.915 1.00 10.00 C ATOM 1197 O GLN A 90 5.546 -11.878 -11.745 1.00 10.00 O ATOM 1198 CB GLN A 90 3.081 -11.306 -13.629 1.00 10.00 C ATOM 1199 CG GLN A 90 1.730 -10.723 -14.026 1.00 10.00 C ATOM 1200 CD GLN A 90 1.571 -9.266 -13.631 1.00 10.00 C ATOM 1201 OE1 GLN A 90 2.545 -8.515 -13.570 1.00 10.00 O ATOM 1202 NE2 GLN A 90 0.343 -8.853 -13.363 1.00 10.00 N ATOM 0 H GLN A 90 3.006 -9.635 -11.813 1.00 10.00 H new ATOM 0 HA GLN A 90 2.342 -12.335 -11.890 1.00 10.00 H new ATOM 0 HB2 GLN A 90 3.860 -10.578 -13.857 1.00 10.00 H new ATOM 0 HB3 GLN A 90 3.278 -12.186 -14.241 1.00 10.00 H new ATOM 0 HG2 GLN A 90 1.603 -10.817 -15.105 1.00 10.00 H new ATOM 0 HG3 GLN A 90 0.937 -11.308 -13.560 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -0.439 -9.505 -13.424 1.00 10.00 H new ATOM 0 HE22 GLN A 90 0.178 -7.883 -13.095 1.00 10.00 H new ATOM 1211 N THR A 91 4.366 -13.796 -11.888 1.00 10.00 N ATOM 1212 CA THR A 91 5.511 -14.669 -11.672 1.00 10.00 C ATOM 1213 C THR A 91 6.588 -14.437 -12.729 1.00 10.00 C ATOM 1214 O THR A 91 7.695 -13.996 -12.413 1.00 10.00 O ATOM 1215 CB THR A 91 5.072 -16.144 -11.700 1.00 10.00 C ATOM 1216 OG1 THR A 91 3.646 -16.215 -11.868 1.00 10.00 O ATOM 1217 CG2 THR A 91 5.469 -16.857 -10.416 1.00 10.00 C ATOM 0 H THR A 91 3.483 -14.291 -12.015 1.00 10.00 H new ATOM 0 HA THR A 91 5.928 -14.433 -10.693 1.00 10.00 H new ATOM 0 HB THR A 91 5.571 -16.637 -12.534 1.00 10.00 H new ATOM 0 HG1 THR A 91 3.365 -17.154 -11.888 1.00 10.00 H new ATOM 0 HG21 THR A 91 5.147 -17.897 -10.463 1.00 10.00 H new ATOM 0 HG22 THR A 91 6.552 -16.818 -10.298 1.00 10.00 H new ATOM 0 HG23 THR A 91 4.993 -16.368 -9.566 1.00 10.00 H new ATOM 1225 N GLY A 92 6.255 -14.719 -13.981 1.00 10.00 N ATOM 1226 CA GLY A 92 7.199 -14.530 -15.058 1.00 10.00 C ATOM 1227 C GLY A 92 6.611 -14.936 -16.389 1.00 10.00 C ATOM 1228 O GLY A 92 6.992 -14.344 -17.421 1.00 10.00 O ATOM 0 H GLY A 92 5.344 -15.076 -14.268 1.00 10.00 H new ATOM 0 HA2 GLY A 92 7.503 -13.484 -15.097 1.00 10.00 H new ATOM 0 HA3 GLY A 92 8.097 -15.115 -14.862 1.00 10.00 H new TER 1232 GLY A 92 ATOM 1233 N ASN B 357 -15.560 -11.319 6.654 1.00 10.00 N ATOM 1234 CA ASN B 357 -14.544 -10.275 6.426 1.00 10.00 C ATOM 1235 C ASN B 357 -13.874 -9.900 7.740 1.00 10.00 C ATOM 1236 O ASN B 357 -14.473 -10.021 8.806 1.00 10.00 O ATOM 1237 CB ASN B 357 -15.178 -9.035 5.784 1.00 10.00 C ATOM 1238 CG ASN B 357 -16.246 -8.383 6.648 1.00 10.00 C ATOM 1239 OD1 ASN B 357 -16.368 -7.070 6.534 1.00 10.00 O flip ATOM 1240 ND2 ASN B 357 -16.958 -9.048 7.396 1.00 10.00 N flip ATOM 0 HA ASN B 357 -13.791 -10.670 5.744 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -14.396 -8.305 5.574 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -15.618 -9.316 4.827 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -16.832 -10.058 7.455 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -17.675 -8.590 7.958 1.00 10.00 H new ATOM 1247 N ASN B 358 -12.625 -9.466 7.661 1.00 10.00 N ATOM 1248 CA ASN B 358 -11.871 -9.085 8.849 1.00 10.00 C ATOM 1249 C ASN B 358 -11.419 -7.635 8.779 1.00 10.00 C ATOM 1250 O ASN B 358 -10.941 -7.183 7.742 1.00 10.00 O ATOM 1251 CB ASN B 358 -10.670 -10.023 9.067 1.00 10.00 C ATOM 1252 CG ASN B 358 -9.546 -9.812 8.068 1.00 10.00 C ATOM 1253 OD1 ASN B 358 -8.656 -8.988 8.280 1.00 10.00 O ATOM 1254 ND2 ASN B 358 -9.567 -10.562 6.977 1.00 10.00 N ATOM 0 H ASN B 358 -12.110 -9.368 6.786 1.00 10.00 H new ATOM 0 HA ASN B 358 -12.538 -9.184 9.705 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -10.282 -9.875 10.075 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -11.011 -11.057 9.005 1.00 10.00 H new ATOM 0 HD21 ASN B 358 -8.830 -10.467 6.279 1.00 10.00 H new ATOM 0 HD22 ASN B 358 -10.321 -11.235 6.835 1.00 10.00 H new ATOM 1261 N ARG B 359 -11.626 -6.884 9.862 1.00 10.00 N ATOM 1262 CA ARG B 359 -11.201 -5.492 9.888 1.00 10.00 C ATOM 1263 C ARG B 359 -10.179 -5.249 11.004 1.00 10.00 C ATOM 1264 O ARG B 359 -10.409 -5.565 12.175 1.00 10.00 O ATOM 1265 CB ARG B 359 -12.413 -4.561 10.047 1.00 10.00 C ATOM 1266 CG ARG B 359 -13.158 -4.721 11.363 1.00 10.00 C ATOM 1267 CD ARG B 359 -14.378 -3.813 11.429 1.00 10.00 C ATOM 1268 NE ARG B 359 -14.054 -2.416 11.128 1.00 10.00 N ATOM 1269 CZ ARG B 359 -14.927 -1.537 10.633 1.00 10.00 C ATOM 1270 NH1 ARG B 359 -16.192 -1.894 10.425 1.00 10.00 N ATOM 1271 NH2 ARG B 359 -14.537 -0.294 10.356 1.00 10.00 N ATOM 0 H ARG B 359 -12.077 -7.212 10.716 1.00 10.00 H new ATOM 0 HA ARG B 359 -10.717 -5.268 8.937 1.00 10.00 H new ATOM 0 HB2 ARG B 359 -12.077 -3.528 9.957 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -13.106 -4.743 9.226 1.00 10.00 H new ATOM 0 HG2 ARG B 359 -13.469 -5.759 11.482 1.00 10.00 H new ATOM 0 HG3 ARG B 359 -12.488 -4.492 12.192 1.00 10.00 H new ATOM 0 HD2 ARG B 359 -15.130 -4.168 10.724 1.00 10.00 H new ATOM 0 HD3 ARG B 359 -14.819 -3.874 12.424 1.00 10.00 H new ATOM 0 HE ARG B 359 -13.102 -2.096 11.308 1.00 10.00 H new ATOM 0 HH11 ARG B 359 -16.497 -2.842 10.644 1.00 10.00 H new ATOM 0 HH12 ARG B 359 -16.857 -1.219 10.046 1.00 10.00 H new ATOM 0 HH21 ARG B 359 -13.570 -0.014 10.522 1.00 10.00 H new ATOM 0 HH22 ARG B 359 -15.205 0.378 9.978 1.00 10.00 H new ATOM 1285 N ASP B 360 -9.033 -4.724 10.611 1.00 10.00 N ATOM 1286 CA ASP B 360 -7.958 -4.408 11.541 1.00 10.00 C ATOM 1287 C ASP B 360 -7.532 -2.959 11.367 1.00 10.00 C ATOM 1288 O ASP B 360 -7.367 -2.514 10.238 1.00 10.00 O ATOM 1289 CB ASP B 360 -6.758 -5.339 11.343 1.00 10.00 C ATOM 1290 CG ASP B 360 -5.816 -5.321 12.533 1.00 10.00 C ATOM 1291 OD1 ASP B 360 -4.937 -4.437 12.597 1.00 10.00 O ATOM 1292 OD2 ASP B 360 -5.937 -6.201 13.414 1.00 10.00 O ATOM 0 H ASP B 360 -8.819 -4.504 9.638 1.00 10.00 H new ATOM 0 HA ASP B 360 -8.332 -4.555 12.554 1.00 10.00 H new ATOM 0 HB2 ASP B 360 -7.113 -6.356 11.178 1.00 10.00 H new ATOM 0 HB3 ASP B 360 -6.214 -5.042 10.446 1.00 10.00 H new ATOM 1297 N PRO B 361 -7.338 -2.196 12.447 1.00 10.00 N ATOM 1298 CA PRO B 361 -6.923 -0.816 12.332 1.00 10.00 C ATOM 1299 C PRO B 361 -5.459 -0.640 12.732 1.00 10.00 C ATOM 1300 O PRO B 361 -5.027 -1.042 13.816 1.00 10.00 O ATOM 1301 CB PRO B 361 -7.829 -0.147 13.365 1.00 10.00 C ATOM 1302 CG PRO B 361 -8.104 -1.208 14.398 1.00 10.00 C ATOM 1303 CD PRO B 361 -7.634 -2.533 13.835 1.00 10.00 C ATOM 0 HA PRO B 361 -7.001 -0.417 11.321 1.00 10.00 H new ATOM 0 HB2 PRO B 361 -7.343 0.720 13.812 1.00 10.00 H new ATOM 0 HB3 PRO B 361 -8.753 0.206 12.908 1.00 10.00 H new ATOM 0 HG2 PRO B 361 -7.582 -0.981 15.328 1.00 10.00 H new ATOM 0 HG3 PRO B 361 -9.168 -1.248 14.631 1.00 10.00 H new ATOM 0 HD2 PRO B 361 -6.754 -2.908 14.359 1.00 10.00 H new ATOM 0 HD3 PRO B 361 -8.402 -3.302 13.911 1.00 10.00 H new ATOM 1311 N ILE B 362 -4.705 -0.016 11.838 1.00 10.00 N ATOM 1312 CA ILE B 362 -3.273 0.189 12.035 1.00 10.00 C ATOM 1313 C ILE B 362 -2.940 1.670 12.081 1.00 10.00 C ATOM 1314 O ILE B 362 -3.390 2.440 11.241 1.00 10.00 O ATOM 1315 CB ILE B 362 -2.457 -0.482 10.904 1.00 10.00 C ATOM 1316 CG1 ILE B 362 -2.884 -1.943 10.721 1.00 10.00 C ATOM 1317 CG2 ILE B 362 -0.961 -0.407 11.180 1.00 10.00 C ATOM 1318 CD1 ILE B 362 -2.457 -2.538 9.396 1.00 10.00 C ATOM 0 H ILE B 362 -5.064 0.361 10.961 1.00 10.00 H new ATOM 0 HA ILE B 362 -3.006 -0.268 12.988 1.00 10.00 H new ATOM 0 HB ILE B 362 -2.662 0.064 9.983 1.00 10.00 H new ATOM 0 HG12 ILE B 362 -2.463 -2.540 11.530 1.00 10.00 H new ATOM 0 HG13 ILE B 362 -3.969 -2.009 10.807 1.00 10.00 H new ATOM 0 HG21 ILE B 362 -0.416 -0.887 10.367 1.00 10.00 H new ATOM 0 HG22 ILE B 362 -0.657 0.637 11.254 1.00 10.00 H new ATOM 0 HG23 ILE B 362 -0.738 -0.917 12.117 1.00 10.00 H new ATOM 0 HD11 ILE B 362 -2.793 -3.573 9.337 1.00 10.00 H new ATOM 0 HD12 ILE B 362 -2.899 -1.965 8.581 1.00 10.00 H new ATOM 0 HD13 ILE B 362 -1.371 -2.504 9.315 1.00 10.00 H new ATOM 1330 N VAL B 363 -2.158 2.072 13.067 1.00 10.00 N ATOM 1331 CA VAL B 363 -1.788 3.473 13.201 1.00 10.00 C ATOM 1332 C VAL B 363 -0.284 3.644 13.044 1.00 10.00 C ATOM 1333 O VAL B 363 0.502 2.965 13.700 1.00 10.00 O ATOM 1334 CB VAL B 363 -2.212 4.034 14.575 1.00 10.00 C ATOM 1335 CG1 VAL B 363 -2.050 5.544 14.624 1.00 10.00 C ATOM 1336 CG2 VAL B 363 -3.642 3.635 14.910 1.00 10.00 C ATOM 0 H VAL B 363 -1.769 1.456 13.781 1.00 10.00 H new ATOM 0 HA VAL B 363 -2.307 4.023 12.416 1.00 10.00 H new ATOM 0 HB VAL B 363 -1.554 3.600 15.327 1.00 10.00 H new ATOM 0 HG11 VAL B 363 -2.356 5.911 15.604 1.00 10.00 H new ATOM 0 HG12 VAL B 363 -1.006 5.804 14.449 1.00 10.00 H new ATOM 0 HG13 VAL B 363 -2.672 6.002 13.854 1.00 10.00 H new ATOM 0 HG21 VAL B 363 -3.915 4.043 15.883 1.00 10.00 H new ATOM 0 HG22 VAL B 363 -4.317 4.027 14.149 1.00 10.00 H new ATOM 0 HG23 VAL B 363 -3.719 2.548 14.938 1.00 10.00 H new ATOM 1346 N ILE B 364 0.101 4.553 12.167 1.00 10.00 N ATOM 1347 CA ILE B 364 1.502 4.843 11.912 1.00 10.00 C ATOM 1348 C ILE B 364 1.800 6.298 12.248 1.00 10.00 C ATOM 1349 O ILE B 364 1.055 7.198 11.865 1.00 10.00 O ATOM 1350 CB ILE B 364 1.909 4.567 10.445 1.00 10.00 C ATOM 1351 CG1 ILE B 364 1.649 3.104 10.073 1.00 10.00 C ATOM 1352 CG2 ILE B 364 3.381 4.900 10.226 1.00 10.00 C ATOM 1353 CD1 ILE B 364 2.007 2.769 8.640 1.00 10.00 C ATOM 0 H ILE B 364 -0.547 5.111 11.611 1.00 10.00 H new ATOM 0 HA ILE B 364 2.085 4.177 12.549 1.00 10.00 H new ATOM 0 HB ILE B 364 1.301 5.205 9.803 1.00 10.00 H new ATOM 0 HG12 ILE B 364 2.221 2.461 10.741 1.00 10.00 H new ATOM 0 HG13 ILE B 364 0.596 2.878 10.238 1.00 10.00 H new ATOM 0 HG21 ILE B 364 3.649 4.700 9.189 1.00 10.00 H new ATOM 0 HG22 ILE B 364 3.553 5.953 10.448 1.00 10.00 H new ATOM 0 HG23 ILE B 364 3.995 4.286 10.885 1.00 10.00 H new ATOM 0 HD11 ILE B 364 1.796 1.717 8.449 1.00 10.00 H new ATOM 0 HD12 ILE B 364 1.416 3.386 7.963 1.00 10.00 H new ATOM 0 HD13 ILE B 364 3.067 2.963 8.475 1.00 10.00 H new ATOM 1365 N SER B 365 2.873 6.520 12.987 1.00 10.00 N ATOM 1366 CA SER B 365 3.272 7.863 13.374 1.00 10.00 C ATOM 1367 C SER B 365 4.653 8.158 12.804 1.00 10.00 C ATOM 1368 O SER B 365 5.579 7.358 12.957 1.00 10.00 O ATOM 1369 CB SER B 365 3.267 7.971 14.898 1.00 10.00 C ATOM 1370 OG SER B 365 2.289 7.097 15.443 1.00 10.00 O ATOM 0 H SER B 365 3.487 5.783 13.333 1.00 10.00 H new ATOM 0 HA SER B 365 2.572 8.597 12.977 1.00 10.00 H new ATOM 0 HB2 SER B 365 4.252 7.719 15.292 1.00 10.00 H new ATOM 0 HB3 SER B 365 3.057 8.998 15.198 1.00 10.00 H new ATOM 0 HG SER B 365 2.293 7.170 16.420 1.00 10.00 H new ATOM 1376 N ASP B 366 4.776 9.278 12.114 1.00 10.00 N ATOM 1377 CA ASP B 366 6.043 9.659 11.507 1.00 10.00 C ATOM 1378 C ASP B 366 6.512 11.014 12.005 1.00 10.00 C ATOM 1379 O ASP B 366 5.744 11.975 12.028 1.00 10.00 O ATOM 1380 CB ASP B 366 5.905 9.675 9.986 1.00 10.00 C ATOM 1381 CG ASP B 366 7.229 9.433 9.289 1.00 10.00 C ATOM 1382 OD1 ASP B 366 7.256 9.396 8.040 1.00 10.00 O ATOM 1383 OD2 ASP B 366 8.253 9.250 9.985 1.00 10.00 O ATOM 0 H ASP B 366 4.016 9.940 11.959 1.00 10.00 H new ATOM 0 HA ASP B 366 6.792 8.922 11.795 1.00 10.00 H new ATOM 0 HB2 ASP B 366 5.190 8.911 9.680 1.00 10.00 H new ATOM 0 HB3 ASP B 366 5.500 10.636 9.670 1.00 10.00 H new ATOM 1388 N SER B 367 7.773 11.078 12.422 1.00 10.00 N ATOM 1389 CA SER B 367 8.365 12.314 12.914 1.00 10.00 C ATOM 1390 C SER B 367 8.990 13.107 11.763 1.00 10.00 C ATOM 1391 O SER B 367 9.838 12.583 11.035 1.00 10.00 O ATOM 1392 CB SER B 367 9.435 12.007 13.970 1.00 10.00 C ATOM 1393 OG SER B 367 9.549 10.605 14.188 1.00 10.00 O ATOM 0 H SER B 367 8.408 10.280 12.428 1.00 10.00 H new ATOM 0 HA SER B 367 7.576 12.914 13.367 1.00 10.00 H new ATOM 0 HB2 SER B 367 10.396 12.408 13.647 1.00 10.00 H new ATOM 0 HB3 SER B 367 9.181 12.505 14.906 1.00 10.00 H new ATOM 0 HG SER B 367 10.238 10.434 14.864 1.00 10.00 H new ATOM 1399 N PRO B 368 8.586 14.377 11.591 1.00 10.00 N ATOM 1400 CA PRO B 368 9.101 15.238 10.526 1.00 10.00 C ATOM 1401 C PRO B 368 10.563 15.612 10.751 1.00 10.00 C ATOM 1402 O PRO B 368 10.849 16.389 11.682 1.00 10.00 O ATOM 1403 CB PRO B 368 8.207 16.478 10.600 1.00 10.00 C ATOM 1404 CG PRO B 368 7.701 16.504 11.997 1.00 10.00 C ATOM 1405 CD PRO B 368 7.594 15.068 12.430 1.00 10.00 C ATOM 0 HA PRO B 368 9.078 14.746 9.553 1.00 10.00 H new ATOM 0 HB2 PRO B 368 8.767 17.383 10.366 1.00 10.00 H new ATOM 0 HB3 PRO B 368 7.387 16.417 9.884 1.00 10.00 H new ATOM 0 HG2 PRO B 368 8.379 17.057 12.647 1.00 10.00 H new ATOM 0 HG3 PRO B 368 6.732 17.000 12.051 1.00 10.00 H new ATOM 0 HD2 PRO B 368 7.816 14.952 13.491 1.00 10.00 H new ATOM 0 HD3 PRO B 368 6.590 14.675 12.270 1.00 10.00 H new TER 1413 PRO B 368