USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 590 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 24 THR OG1 : rot 114:sc= 1.32 USER MOD Set 1.2: A 40 HIS : no HE2:sc= 0.266 K(o=1.6,f=-7!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 175:sc= 0.721 USER MOD Single : A 3 ASN : amide:sc= -0.406 X(o=-0.41,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 140:sc= -0.43 USER MOD Single : A 16 HIS : no HE2:sc= -8.18! C(o=-8.2!,f=-8.2!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -5.22! C(o=-5.2!,f=-3.8!) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.276 X(o=-0.28,f=-0.02) USER MOD Single : A 41 THR OG1 : rot -80:sc= 1.21 USER MOD Single : A 42 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.191) USER MOD Single : A 43 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0226) USER MOD Single : A 44 LYS NZ :NH3+ -167:sc= -0.0705 (180deg=-0.317) USER MOD Single : A 46 SER OG : rot 45:sc= 0.0371 USER MOD Single : A 50 ASN : amide:sc= -6.88! C(o=-6.9!,f=-4.1!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -9.4! C(o=-9.4!,f=-17!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0678 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 76:sc= 1.46 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -176:sc= 0.979 (180deg=0.863) USER MOD Single : A 69 ASN : amide:sc= -1.45 K(o=-1.5,f=-0.78) USER MOD Single : A 70 MET CE :methyl -139:sc= -0.135 (180deg=-0.752) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 13.614 -6.976 11.970 1.00 0.00 N ATOM 2 CA ALA A 1 13.836 -7.959 10.884 1.00 0.00 C ATOM 3 C ALA A 1 14.126 -7.242 9.574 1.00 0.00 C ATOM 4 O ALA A 1 15.199 -7.398 8.996 1.00 0.00 O ATOM 5 CB ALA A 1 12.632 -8.875 10.733 1.00 0.00 C ATOM 0 H1 ALA A 1 13.417 -7.479 12.859 1.00 0.00 H new ATOM 0 H2 ALA A 1 14.464 -6.389 12.086 1.00 0.00 H new ATOM 0 H3 ALA A 1 12.804 -6.369 11.729 1.00 0.00 H new ATOM 0 HA ALA A 1 14.699 -8.571 11.145 1.00 0.00 H new ATOM 0 HB1 ALA A 1 12.816 -9.589 9.930 1.00 0.00 H new ATOM 0 HB2 ALA A 1 12.465 -9.413 11.666 1.00 0.00 H new ATOM 0 HB3 ALA A 1 11.750 -8.280 10.494 1.00 0.00 H new ATOM 13 N SER A 2 13.169 -6.450 9.112 1.00 0.00 N ATOM 14 CA SER A 2 13.327 -5.690 7.881 1.00 0.00 C ATOM 15 C SER A 2 13.807 -4.274 8.194 1.00 0.00 C ATOM 16 O SER A 2 14.203 -3.991 9.327 1.00 0.00 O ATOM 17 CB SER A 2 11.999 -5.651 7.129 1.00 0.00 C ATOM 18 OG SER A 2 11.509 -6.961 6.897 1.00 0.00 O ATOM 0 H SER A 2 12.270 -6.317 9.575 1.00 0.00 H new ATOM 0 HA SER A 2 14.075 -6.174 7.253 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.268 -5.082 7.703 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.130 -5.134 6.178 1.00 0.00 H new ATOM 0 HG SER A 2 10.622 -6.910 6.484 1.00 0.00 H new ATOM 24 N ASN A 3 13.779 -3.388 7.201 1.00 0.00 N ATOM 25 CA ASN A 3 14.216 -2.012 7.404 1.00 0.00 C ATOM 26 C ASN A 3 13.179 -1.226 8.196 1.00 0.00 C ATOM 27 O ASN A 3 13.386 -0.919 9.369 1.00 0.00 O ATOM 28 CB ASN A 3 14.494 -1.310 6.069 1.00 0.00 C ATOM 29 CG ASN A 3 15.143 0.046 6.272 1.00 0.00 C ATOM 30 OD1 ASN A 3 16.363 0.153 6.361 1.00 0.00 O ATOM 31 ND2 ASN A 3 14.332 1.091 6.351 1.00 0.00 N ATOM 0 H ASN A 3 13.460 -3.598 6.255 1.00 0.00 H new ATOM 0 HA ASN A 3 15.145 -2.047 7.973 1.00 0.00 H new ATOM 0 HB2 ASN A 3 15.143 -1.936 5.457 1.00 0.00 H new ATOM 0 HB3 ASN A 3 13.560 -1.188 5.521 1.00 0.00 H new ATOM 0 HD21 ASN A 3 14.716 2.025 6.491 1.00 0.00 H new ATOM 0 HD22 ASN A 3 13.323 0.961 6.272 1.00 0.00 H new ATOM 38 N PHE A 4 12.056 -0.911 7.562 1.00 0.00 N ATOM 39 CA PHE A 4 11.037 -0.104 8.221 1.00 0.00 C ATOM 40 C PHE A 4 9.646 -0.710 8.107 1.00 0.00 C ATOM 41 O PHE A 4 8.897 -0.738 9.083 1.00 0.00 O ATOM 42 CB PHE A 4 11.044 1.343 7.691 1.00 0.00 C ATOM 43 CG PHE A 4 10.483 1.504 6.301 1.00 0.00 C ATOM 44 CD1 PHE A 4 11.124 0.950 5.210 1.00 0.00 C ATOM 45 CD2 PHE A 4 9.295 2.191 6.090 1.00 0.00 C ATOM 46 CE1 PHE A 4 10.600 1.077 3.941 1.00 0.00 C ATOM 47 CE2 PHE A 4 8.765 2.314 4.818 1.00 0.00 C ATOM 48 CZ PHE A 4 9.423 1.754 3.746 1.00 0.00 C ATOM 0 H PHE A 4 11.830 -1.196 6.609 1.00 0.00 H new ATOM 0 HA PHE A 4 11.293 -0.088 9.280 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.471 1.969 8.375 1.00 0.00 H new ATOM 0 HB3 PHE A 4 12.069 1.715 7.701 1.00 0.00 H new ATOM 0 HD1 PHE A 4 12.048 0.410 5.353 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.779 2.634 6.929 1.00 0.00 H new ATOM 0 HE1 PHE A 4 11.117 0.642 3.099 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.838 2.847 4.666 1.00 0.00 H new ATOM 0 HZ PHE A 4 9.012 1.848 2.752 1.00 0.00 H new ATOM 58 N ASP A 5 9.301 -1.206 6.933 1.00 0.00 N ATOM 59 CA ASP A 5 7.914 -1.595 6.685 1.00 0.00 C ATOM 60 C ASP A 5 7.781 -2.862 5.870 1.00 0.00 C ATOM 61 O ASP A 5 6.841 -3.631 6.063 1.00 0.00 O ATOM 62 CB ASP A 5 7.176 -0.454 5.994 1.00 0.00 C ATOM 63 CG ASP A 5 5.806 -0.183 6.593 1.00 0.00 C ATOM 64 OD1 ASP A 5 5.631 -0.391 7.814 1.00 0.00 O ATOM 65 OD2 ASP A 5 4.910 0.276 5.856 1.00 0.00 O ATOM 0 H ASP A 5 9.939 -1.349 6.150 1.00 0.00 H new ATOM 0 HA ASP A 5 7.468 -1.804 7.658 1.00 0.00 H new ATOM 0 HB2 ASP A 5 7.779 0.452 6.056 1.00 0.00 H new ATOM 0 HB3 ASP A 5 7.063 -0.690 4.936 1.00 0.00 H new ATOM 70 N CYS A 6 8.700 -3.044 4.943 1.00 0.00 N ATOM 71 CA CYS A 6 8.749 -4.231 4.096 1.00 0.00 C ATOM 72 C CYS A 6 8.428 -5.508 4.856 1.00 0.00 C ATOM 73 O CYS A 6 9.136 -5.885 5.790 1.00 0.00 O ATOM 74 CB CYS A 6 10.123 -4.357 3.449 1.00 0.00 C ATOM 75 SG CYS A 6 11.494 -3.966 4.570 1.00 0.00 S ATOM 0 H CYS A 6 9.442 -2.371 4.751 1.00 0.00 H new ATOM 0 HA CYS A 6 7.983 -4.104 3.331 1.00 0.00 H new ATOM 0 HB2 CYS A 6 10.248 -5.374 3.077 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.171 -3.694 2.585 1.00 0.00 H new ATOM 80 N CYS A 7 7.350 -6.158 4.453 1.00 0.00 N ATOM 81 CA CYS A 7 6.963 -7.417 5.049 1.00 0.00 C ATOM 82 C CYS A 7 8.032 -8.477 4.806 1.00 0.00 C ATOM 83 O CYS A 7 8.793 -8.396 3.842 1.00 0.00 O ATOM 84 CB CYS A 7 5.636 -7.900 4.468 1.00 0.00 C ATOM 85 SG CYS A 7 4.222 -6.793 4.765 1.00 0.00 S ATOM 0 H CYS A 7 6.728 -5.831 3.714 1.00 0.00 H new ATOM 0 HA CYS A 7 6.851 -7.259 6.122 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.754 -8.034 3.393 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.407 -8.879 4.888 1.00 0.00 H new ATOM 90 N LEU A 8 8.077 -9.476 5.670 1.00 0.00 N ATOM 91 CA LEU A 8 8.962 -10.623 5.481 1.00 0.00 C ATOM 92 C LEU A 8 8.389 -11.579 4.435 1.00 0.00 C ATOM 93 O LEU A 8 8.697 -12.768 4.417 1.00 0.00 O ATOM 94 CB LEU A 8 9.192 -11.337 6.823 1.00 0.00 C ATOM 95 CG LEU A 8 7.960 -11.468 7.734 1.00 0.00 C ATOM 96 CD1 LEU A 8 6.969 -12.482 7.187 1.00 0.00 C ATOM 97 CD2 LEU A 8 8.377 -11.845 9.147 1.00 0.00 C ATOM 0 H LEU A 8 7.509 -9.520 6.516 1.00 0.00 H new ATOM 0 HA LEU A 8 9.925 -10.270 5.113 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.577 -12.336 6.620 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.968 -10.801 7.369 1.00 0.00 H new ATOM 0 HG LEU A 8 7.465 -10.497 7.761 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.111 -12.549 7.856 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.635 -12.167 6.198 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.449 -13.458 7.114 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.491 -11.933 9.776 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.905 -12.798 9.128 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.034 -11.074 9.550 1.00 0.00 H new ATOM 109 N GLY A 9 7.578 -11.024 3.544 1.00 0.00 N ATOM 110 CA GLY A 9 6.885 -11.802 2.543 1.00 0.00 C ATOM 111 C GLY A 9 5.415 -11.443 2.505 1.00 0.00 C ATOM 112 O GLY A 9 4.879 -10.917 3.480 1.00 0.00 O ATOM 0 H GLY A 9 7.387 -10.023 3.500 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.332 -11.625 1.565 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.999 -12.864 2.759 1.00 0.00 H new ATOM 116 N TYR A 10 4.764 -11.697 1.384 1.00 0.00 N ATOM 117 CA TYR A 10 3.348 -11.407 1.271 1.00 0.00 C ATOM 118 C TYR A 10 2.533 -12.695 1.317 1.00 0.00 C ATOM 119 O TYR A 10 3.085 -13.796 1.304 1.00 0.00 O ATOM 120 CB TYR A 10 3.026 -10.582 0.014 1.00 0.00 C ATOM 121 CG TYR A 10 4.104 -10.585 -1.040 1.00 0.00 C ATOM 122 CD1 TYR A 10 5.235 -9.804 -0.886 1.00 0.00 C ATOM 123 CD2 TYR A 10 3.987 -11.359 -2.181 1.00 0.00 C ATOM 124 CE1 TYR A 10 6.232 -9.791 -1.841 1.00 0.00 C ATOM 125 CE2 TYR A 10 4.979 -11.356 -3.148 1.00 0.00 C ATOM 126 CZ TYR A 10 6.103 -10.573 -2.970 1.00 0.00 C ATOM 127 OH TYR A 10 7.094 -10.565 -3.925 1.00 0.00 O ATOM 0 H TYR A 10 5.188 -12.099 0.548 1.00 0.00 H new ATOM 0 HA TYR A 10 3.067 -10.794 2.127 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.105 -10.964 -0.427 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.833 -9.552 0.313 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.340 -9.193 -0.002 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.110 -11.974 -2.320 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.107 -9.173 -1.705 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.874 -11.962 -4.036 1.00 0.00 H new ATOM 0 HH TYR A 10 6.849 -11.171 -4.656 1.00 0.00 H new ATOM 137 N THR A 11 1.226 -12.540 1.387 1.00 0.00 N ATOM 138 CA THR A 11 0.325 -13.657 1.603 1.00 0.00 C ATOM 139 C THR A 11 -0.027 -14.375 0.292 1.00 0.00 C ATOM 140 O THR A 11 0.513 -14.063 -0.759 1.00 0.00 O ATOM 141 CB THR A 11 -0.953 -13.138 2.294 1.00 0.00 C ATOM 142 OG1 THR A 11 -1.722 -14.224 2.817 1.00 0.00 O ATOM 143 CG2 THR A 11 -1.811 -12.319 1.337 1.00 0.00 C ATOM 0 H THR A 11 0.758 -11.638 1.296 1.00 0.00 H new ATOM 0 HA THR A 11 0.825 -14.388 2.238 1.00 0.00 H new ATOM 0 HB THR A 11 -0.638 -12.493 3.114 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.085 -13.976 3.693 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.703 -11.969 1.857 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.240 -11.462 0.979 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.104 -12.939 0.490 1.00 0.00 H new ATOM 151 N ASP A 12 -0.926 -15.347 0.367 1.00 0.00 N ATOM 152 CA ASP A 12 -1.448 -16.019 -0.818 1.00 0.00 C ATOM 153 C ASP A 12 -2.954 -16.162 -0.686 1.00 0.00 C ATOM 154 O ASP A 12 -3.472 -17.254 -0.445 1.00 0.00 O ATOM 155 CB ASP A 12 -0.808 -17.401 -1.015 1.00 0.00 C ATOM 156 CG ASP A 12 0.614 -17.340 -1.543 1.00 0.00 C ATOM 157 OD1 ASP A 12 0.787 -17.257 -2.781 1.00 0.00 O ATOM 158 OD2 ASP A 12 1.562 -17.431 -0.728 1.00 0.00 O ATOM 0 H ASP A 12 -1.313 -15.691 1.246 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.202 -15.415 -1.691 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.811 -17.933 -0.064 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.419 -17.981 -1.707 1.00 0.00 H new ATOM 163 N ARG A 13 -3.651 -15.042 -0.795 1.00 0.00 N ATOM 164 CA ARG A 13 -5.082 -15.008 -0.530 1.00 0.00 C ATOM 165 C ARG A 13 -5.834 -14.299 -1.633 1.00 0.00 C ATOM 166 O ARG A 13 -5.243 -13.817 -2.592 1.00 0.00 O ATOM 167 CB ARG A 13 -5.355 -14.286 0.788 1.00 0.00 C ATOM 168 CG ARG A 13 -4.697 -14.959 1.982 1.00 0.00 C ATOM 169 CD ARG A 13 -4.872 -14.161 3.261 1.00 0.00 C ATOM 170 NE ARG A 13 -6.250 -14.155 3.740 1.00 0.00 N ATOM 171 CZ ARG A 13 -6.602 -13.866 4.992 1.00 0.00 C ATOM 172 NH1 ARG A 13 -5.674 -13.616 5.913 1.00 0.00 N ATOM 173 NH2 ARG A 13 -7.879 -13.854 5.333 1.00 0.00 N ATOM 0 H ARG A 13 -3.250 -14.144 -1.065 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.427 -16.041 -0.475 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.997 -13.259 0.714 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.431 -14.237 0.953 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.122 -15.954 2.116 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.634 -15.091 1.781 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.225 -14.576 4.034 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.547 -13.135 3.091 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.989 -14.386 3.076 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.686 -13.645 5.662 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.951 -13.395 6.870 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.595 -14.066 4.638 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.149 -13.633 6.291 1.00 0.00 H new ATOM 187 N ILE A 14 -7.145 -14.260 -1.469 1.00 0.00 N ATOM 188 CA ILE A 14 -8.021 -13.415 -2.258 1.00 0.00 C ATOM 189 C ILE A 14 -8.835 -12.541 -1.304 1.00 0.00 C ATOM 190 O ILE A 14 -9.846 -12.975 -0.748 1.00 0.00 O ATOM 191 CB ILE A 14 -8.969 -14.249 -3.156 1.00 0.00 C ATOM 192 CG1 ILE A 14 -8.194 -14.943 -4.280 1.00 0.00 C ATOM 193 CG2 ILE A 14 -10.075 -13.375 -3.738 1.00 0.00 C ATOM 194 CD1 ILE A 14 -7.952 -14.063 -5.487 1.00 0.00 C ATOM 0 H ILE A 14 -7.636 -14.822 -0.774 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.413 -12.798 -2.920 1.00 0.00 H new ATOM 0 HB ILE A 14 -9.427 -15.016 -2.531 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -7.234 -15.283 -3.891 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -8.743 -15.831 -4.593 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -10.727 -13.983 -4.365 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -10.656 -12.936 -2.927 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -9.633 -12.580 -4.339 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.398 -14.623 -6.240 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.908 -13.744 -5.902 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.375 -13.187 -5.189 1.00 0.00 H new ATOM 206 N LEU A 15 -8.349 -11.335 -1.062 1.00 0.00 N ATOM 207 CA LEU A 15 -9.004 -10.414 -0.143 1.00 0.00 C ATOM 208 C LEU A 15 -9.683 -9.302 -0.923 1.00 0.00 C ATOM 209 O LEU A 15 -9.373 -9.077 -2.083 1.00 0.00 O ATOM 210 CB LEU A 15 -7.982 -9.854 0.839 1.00 0.00 C ATOM 211 CG LEU A 15 -7.293 -10.916 1.688 1.00 0.00 C ATOM 212 CD1 LEU A 15 -5.793 -10.873 1.464 1.00 0.00 C ATOM 213 CD2 LEU A 15 -7.635 -10.719 3.150 1.00 0.00 C ATOM 0 H LEU A 15 -7.499 -10.968 -1.491 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.768 -10.945 0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.225 -9.300 0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.479 -9.142 1.498 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.651 -11.901 1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.312 -11.636 2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.577 -11.061 0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.412 -9.891 1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.137 -11.484 3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.301 -9.733 3.472 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.714 -10.799 3.285 1.00 0.00 H new ATOM 225 N HIS A 16 -10.660 -8.656 -0.328 1.00 0.00 N ATOM 226 CA HIS A 16 -11.441 -7.676 -1.067 1.00 0.00 C ATOM 227 C HIS A 16 -11.578 -6.391 -0.274 1.00 0.00 C ATOM 228 O HIS A 16 -11.115 -6.307 0.863 1.00 0.00 O ATOM 229 CB HIS A 16 -12.845 -8.207 -1.354 1.00 0.00 C ATOM 230 CG HIS A 16 -12.919 -9.537 -2.021 1.00 0.00 C ATOM 231 ND1 HIS A 16 -14.109 -10.175 -2.188 1.00 0.00 N ATOM 232 CD2 HIS A 16 -11.968 -10.368 -2.514 1.00 0.00 C ATOM 233 CE1 HIS A 16 -13.905 -11.340 -2.738 1.00 0.00 C ATOM 234 NE2 HIS A 16 -12.616 -11.490 -2.960 1.00 0.00 N ATOM 0 H HIS A 16 -10.933 -8.784 0.646 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.917 -7.483 -2.003 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.389 -8.265 -0.411 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -13.366 -7.481 -1.978 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -15.020 -9.800 -1.924 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.905 -10.182 -2.549 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -14.670 -12.065 -2.973 1.00 0.00 H new ATOM 243 N PRO A 17 -12.260 -5.379 -0.849 1.00 0.00 N ATOM 244 CA PRO A 17 -12.745 -4.229 -0.084 1.00 0.00 C ATOM 245 C PRO A 17 -13.620 -4.704 1.080 1.00 0.00 C ATOM 246 O PRO A 17 -13.824 -3.992 2.059 1.00 0.00 O ATOM 247 CB PRO A 17 -13.573 -3.423 -1.097 1.00 0.00 C ATOM 248 CG PRO A 17 -13.763 -4.322 -2.273 1.00 0.00 C ATOM 249 CD PRO A 17 -12.590 -5.259 -2.279 1.00 0.00 C ATOM 0 HA PRO A 17 -11.940 -3.638 0.352 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -14.532 -3.128 -0.671 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -13.056 -2.507 -1.384 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -14.700 -4.873 -2.194 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -13.807 -3.748 -3.199 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -12.845 -6.224 -2.717 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -11.755 -4.858 -2.854 1.00 0.00 H new ATOM 257 N LYS A 18 -14.114 -5.938 0.936 1.00 0.00 N ATOM 258 CA LYS A 18 -14.836 -6.667 1.980 1.00 0.00 C ATOM 259 C LYS A 18 -14.119 -6.606 3.335 1.00 0.00 C ATOM 260 O LYS A 18 -14.756 -6.707 4.383 1.00 0.00 O ATOM 261 CB LYS A 18 -14.996 -8.134 1.535 1.00 0.00 C ATOM 262 CG LYS A 18 -16.083 -8.364 0.498 1.00 0.00 C ATOM 263 CD LYS A 18 -16.163 -9.835 0.117 1.00 0.00 C ATOM 264 CE LYS A 18 -16.539 -10.708 1.303 1.00 0.00 C ATOM 265 NZ LYS A 18 -18.009 -10.913 1.408 1.00 0.00 N ATOM 0 H LYS A 18 -14.020 -6.469 0.070 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.810 -6.196 2.115 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.046 -8.483 1.130 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -15.213 -8.745 2.412 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -17.044 -8.033 0.892 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.879 -7.764 -0.389 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -16.898 -9.965 -0.677 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -15.202 -10.159 -0.282 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.045 -11.675 1.211 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.172 -10.249 2.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -18.218 -11.514 2.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -18.480 -9.993 1.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -18.358 -11.375 0.544 1.00 0.00 H new ATOM 279 N PHE A 19 -12.798 -6.444 3.314 1.00 0.00 N ATOM 280 CA PHE A 19 -12.023 -6.398 4.552 1.00 0.00 C ATOM 281 C PHE A 19 -11.162 -5.138 4.625 1.00 0.00 C ATOM 282 O PHE A 19 -10.605 -4.825 5.675 1.00 0.00 O ATOM 283 CB PHE A 19 -11.112 -7.626 4.668 1.00 0.00 C ATOM 284 CG PHE A 19 -11.820 -8.939 4.482 1.00 0.00 C ATOM 285 CD1 PHE A 19 -12.508 -9.527 5.530 1.00 0.00 C ATOM 286 CD2 PHE A 19 -11.793 -9.584 3.255 1.00 0.00 C ATOM 287 CE1 PHE A 19 -13.162 -10.732 5.355 1.00 0.00 C ATOM 288 CE2 PHE A 19 -12.445 -10.788 3.076 1.00 0.00 C ATOM 289 CZ PHE A 19 -13.128 -11.363 4.127 1.00 0.00 C ATOM 0 H PHE A 19 -12.246 -6.343 2.462 1.00 0.00 H new ATOM 0 HA PHE A 19 -12.737 -6.389 5.376 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.318 -7.546 3.926 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.635 -7.619 5.648 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -12.534 -9.039 6.493 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.256 -9.140 2.430 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -13.699 -11.180 6.178 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -12.420 -11.279 2.114 1.00 0.00 H new ATOM 0 HZ PHE A 19 -13.636 -12.306 3.990 1.00 0.00 H new ATOM 299 N ILE A 20 -11.064 -4.417 3.517 1.00 0.00 N ATOM 300 CA ILE A 20 -10.108 -3.320 3.401 1.00 0.00 C ATOM 301 C ILE A 20 -10.750 -1.975 3.737 1.00 0.00 C ATOM 302 O ILE A 20 -11.810 -1.627 3.211 1.00 0.00 O ATOM 303 CB ILE A 20 -9.479 -3.269 1.976 1.00 0.00 C ATOM 304 CG1 ILE A 20 -8.240 -4.172 1.880 1.00 0.00 C ATOM 305 CG2 ILE A 20 -9.099 -1.846 1.583 1.00 0.00 C ATOM 306 CD1 ILE A 20 -8.468 -5.611 2.297 1.00 0.00 C ATOM 0 H ILE A 20 -11.634 -4.570 2.685 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.316 -3.510 4.126 1.00 0.00 H new ATOM 0 HB ILE A 20 -10.238 -3.633 1.284 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.878 -4.160 0.852 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.451 -3.749 2.501 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.664 -1.848 0.584 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -9.989 -1.217 1.589 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.372 -1.454 2.294 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.538 -6.171 2.196 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.798 -5.641 3.335 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -9.232 -6.058 1.660 1.00 0.00 H new ATOM 318 N VAL A 21 -10.109 -1.234 4.636 1.00 0.00 N ATOM 319 CA VAL A 21 -10.524 0.130 4.938 1.00 0.00 C ATOM 320 C VAL A 21 -9.373 1.108 4.698 1.00 0.00 C ATOM 321 O VAL A 21 -9.580 2.315 4.561 1.00 0.00 O ATOM 322 CB VAL A 21 -11.038 0.276 6.391 1.00 0.00 C ATOM 323 CG1 VAL A 21 -12.257 -0.608 6.619 1.00 0.00 C ATOM 324 CG2 VAL A 21 -9.943 -0.056 7.396 1.00 0.00 C ATOM 0 H VAL A 21 -9.300 -1.556 5.168 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.349 0.366 4.266 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.330 1.315 6.541 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.604 -0.492 7.646 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -13.052 -0.316 5.932 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.989 -1.650 6.442 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.332 0.055 8.408 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.610 -1.083 7.246 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.101 0.622 7.254 1.00 0.00 H new ATOM 334 N GLY A 22 -8.163 0.568 4.617 1.00 0.00 N ATOM 335 CA GLY A 22 -6.984 1.382 4.419 1.00 0.00 C ATOM 336 C GLY A 22 -5.968 0.666 3.559 1.00 0.00 C ATOM 337 O GLY A 22 -6.036 -0.553 3.402 1.00 0.00 O ATOM 0 H GLY A 22 -7.979 -0.433 4.686 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.264 2.325 3.949 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.541 1.627 5.384 1.00 0.00 H new ATOM 341 N PHE A 23 -5.025 1.407 3.009 1.00 0.00 N ATOM 342 CA PHE A 23 -4.060 0.850 2.085 1.00 0.00 C ATOM 343 C PHE A 23 -2.774 1.678 2.070 1.00 0.00 C ATOM 344 O PHE A 23 -2.812 2.908 2.075 1.00 0.00 O ATOM 345 CB PHE A 23 -4.712 0.791 0.717 1.00 0.00 C ATOM 346 CG PHE A 23 -3.765 1.023 -0.389 1.00 0.00 C ATOM 347 CD1 PHE A 23 -2.949 0.010 -0.838 1.00 0.00 C ATOM 348 CD2 PHE A 23 -3.684 2.268 -0.956 1.00 0.00 C ATOM 349 CE1 PHE A 23 -2.060 0.239 -1.849 1.00 0.00 C ATOM 350 CE2 PHE A 23 -2.800 2.509 -1.972 1.00 0.00 C ATOM 351 CZ PHE A 23 -1.987 1.489 -2.416 1.00 0.00 C ATOM 0 H PHE A 23 -4.908 2.404 3.189 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.770 -0.154 2.395 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.180 -0.185 0.587 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -5.507 1.535 0.668 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.012 -0.970 -0.389 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.321 3.063 -0.599 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.419 -0.556 -2.200 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.740 3.489 -2.422 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.286 1.673 -3.217 1.00 0.00 H new ATOM 361 N THR A 24 -1.649 0.975 2.088 1.00 0.00 N ATOM 362 CA THR A 24 -0.333 1.582 1.962 1.00 0.00 C ATOM 363 C THR A 24 0.506 0.779 0.970 1.00 0.00 C ATOM 364 O THR A 24 0.689 -0.424 1.151 1.00 0.00 O ATOM 365 CB THR A 24 0.418 1.620 3.310 1.00 0.00 C ATOM 366 OG1 THR A 24 -0.331 2.364 4.281 1.00 0.00 O ATOM 367 CG2 THR A 24 1.801 2.240 3.148 1.00 0.00 C ATOM 0 H THR A 24 -1.625 -0.039 2.191 1.00 0.00 H new ATOM 0 HA THR A 24 -0.479 2.605 1.616 1.00 0.00 H new ATOM 0 HB THR A 24 0.534 0.593 3.655 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.633 1.762 4.993 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.308 2.255 4.113 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.384 1.650 2.440 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.701 3.259 2.775 1.00 0.00 H new ATOM 375 N ARG A 25 1.008 1.416 -0.074 1.00 0.00 N ATOM 376 CA ARG A 25 1.867 0.714 -1.011 1.00 0.00 C ATOM 377 C ARG A 25 3.327 0.850 -0.594 1.00 0.00 C ATOM 378 O ARG A 25 4.008 1.817 -0.935 1.00 0.00 O ATOM 379 CB ARG A 25 1.652 1.180 -2.459 1.00 0.00 C ATOM 380 CG ARG A 25 1.749 2.684 -2.670 1.00 0.00 C ATOM 381 CD ARG A 25 1.848 3.034 -4.149 1.00 0.00 C ATOM 382 NE ARG A 25 0.755 2.463 -4.931 1.00 0.00 N ATOM 383 CZ ARG A 25 -0.169 3.189 -5.564 1.00 0.00 C ATOM 384 NH1 ARG A 25 -0.151 4.517 -5.477 1.00 0.00 N ATOM 385 NH2 ARG A 25 -1.107 2.592 -6.293 1.00 0.00 N ATOM 0 H ARG A 25 0.840 2.398 -0.292 1.00 0.00 H new ATOM 0 HA ARG A 25 1.595 -0.341 -0.982 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.389 0.690 -3.096 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.670 0.844 -2.791 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.875 3.170 -2.237 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.622 3.071 -2.144 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.846 4.118 -4.264 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.799 2.674 -4.542 1.00 0.00 H new ATOM 0 HE ARG A 25 0.694 1.447 -4.998 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.570 4.982 -4.926 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.858 5.069 -5.962 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.123 1.575 -6.370 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.811 3.151 -6.775 1.00 0.00 H new ATOM 399 N GLN A 26 3.781 -0.117 0.187 1.00 0.00 N ATOM 400 CA GLN A 26 5.150 -0.154 0.663 1.00 0.00 C ATOM 401 C GLN A 26 6.077 -0.431 -0.516 1.00 0.00 C ATOM 402 O GLN A 26 5.947 -1.453 -1.193 1.00 0.00 O ATOM 403 CB GLN A 26 5.250 -1.226 1.755 1.00 0.00 C ATOM 404 CG GLN A 26 6.602 -1.378 2.430 1.00 0.00 C ATOM 405 CD GLN A 26 7.600 -2.137 1.589 1.00 0.00 C ATOM 406 OE1 GLN A 26 8.477 -1.552 0.958 1.00 0.00 O ATOM 407 NE2 GLN A 26 7.434 -3.450 1.525 1.00 0.00 N ATOM 0 H GLN A 26 3.209 -0.898 0.508 1.00 0.00 H new ATOM 0 HA GLN A 26 5.452 0.799 1.097 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.508 -1.003 2.522 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.977 -2.186 1.317 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.002 -0.390 2.655 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.471 -1.893 3.382 1.00 0.00 H new ATOM 0 HE21 GLN A 26 6.693 -3.897 2.065 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.047 -4.013 0.936 1.00 0.00 H new ATOM 416 N LEU A 27 7.008 0.482 -0.750 1.00 0.00 N ATOM 417 CA LEU A 27 7.795 0.483 -1.977 1.00 0.00 C ATOM 418 C LEU A 27 9.265 0.191 -1.709 1.00 0.00 C ATOM 419 O LEU A 27 9.816 0.592 -0.680 1.00 0.00 O ATOM 420 CB LEU A 27 7.665 1.842 -2.665 1.00 0.00 C ATOM 421 CG LEU A 27 6.268 2.191 -3.183 1.00 0.00 C ATOM 422 CD1 LEU A 27 5.991 3.673 -2.985 1.00 0.00 C ATOM 423 CD2 LEU A 27 6.139 1.824 -4.656 1.00 0.00 C ATOM 0 H LEU A 27 7.239 1.236 -0.103 1.00 0.00 H new ATOM 0 HA LEU A 27 7.409 -0.307 -2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.976 2.616 -1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.362 1.873 -3.503 1.00 0.00 H new ATOM 0 HG LEU A 27 5.534 1.617 -2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.994 3.910 -3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.049 3.915 -1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.731 4.258 -3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.139 2.079 -5.008 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.879 2.376 -5.235 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.306 0.754 -4.780 1.00 0.00 H new ATOM 435 N ALA A 28 9.904 -0.465 -2.672 1.00 0.00 N ATOM 436 CA ALA A 28 11.319 -0.811 -2.584 1.00 0.00 C ATOM 437 C ALA A 28 12.203 0.400 -2.884 1.00 0.00 C ATOM 438 O ALA A 28 13.162 0.316 -3.653 1.00 0.00 O ATOM 439 CB ALA A 28 11.622 -1.937 -3.555 1.00 0.00 C ATOM 0 H ALA A 28 9.456 -0.772 -3.535 1.00 0.00 H new ATOM 0 HA ALA A 28 11.537 -1.137 -1.567 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.678 -2.198 -3.492 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.017 -2.808 -3.302 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.388 -1.615 -4.570 1.00 0.00 H new ATOM 445 N ASN A 29 11.868 1.522 -2.267 1.00 0.00 N ATOM 446 CA ASN A 29 12.607 2.764 -2.458 1.00 0.00 C ATOM 447 C ASN A 29 12.777 3.514 -1.141 1.00 0.00 C ATOM 448 O ASN A 29 13.765 4.218 -0.936 1.00 0.00 O ATOM 449 CB ASN A 29 11.887 3.680 -3.457 1.00 0.00 C ATOM 450 CG ASN A 29 12.051 3.243 -4.902 1.00 0.00 C ATOM 451 OD1 ASN A 29 13.000 3.644 -5.577 1.00 0.00 O ATOM 452 ND2 ASN A 29 11.125 2.428 -5.393 1.00 0.00 N ATOM 0 H ASN A 29 11.081 1.600 -1.623 1.00 0.00 H new ATOM 0 HA ASN A 29 13.589 2.495 -2.848 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.825 3.709 -3.212 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.267 4.696 -3.347 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.185 2.112 -6.361 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.354 2.118 -4.802 1.00 0.00 H new ATOM 459 N GLU A 30 11.825 3.340 -0.239 1.00 0.00 N ATOM 460 CA GLU A 30 11.741 4.174 0.955 1.00 0.00 C ATOM 461 C GLU A 30 12.525 3.580 2.127 1.00 0.00 C ATOM 462 O GLU A 30 12.189 3.804 3.291 1.00 0.00 O ATOM 463 CB GLU A 30 10.274 4.351 1.341 1.00 0.00 C ATOM 464 CG GLU A 30 9.403 4.885 0.210 1.00 0.00 C ATOM 465 CD GLU A 30 9.832 6.262 -0.256 1.00 0.00 C ATOM 466 OE1 GLU A 30 10.741 6.354 -1.110 1.00 0.00 O ATOM 467 OE2 GLU A 30 9.265 7.259 0.235 1.00 0.00 O ATOM 0 H GLU A 30 11.097 2.629 -0.309 1.00 0.00 H new ATOM 0 HA GLU A 30 12.189 5.141 0.726 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.876 3.392 1.672 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.210 5.032 2.189 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.441 4.193 -0.631 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.366 4.925 0.543 1.00 0.00 H new ATOM 474 N GLY A 31 13.570 2.830 1.816 1.00 0.00 N ATOM 475 CA GLY A 31 14.401 2.244 2.851 1.00 0.00 C ATOM 476 C GLY A 31 14.465 0.737 2.732 1.00 0.00 C ATOM 477 O GLY A 31 15.502 0.123 2.969 1.00 0.00 O ATOM 0 H GLY A 31 13.860 2.615 0.862 1.00 0.00 H new ATOM 0 HA2 GLY A 31 15.408 2.657 2.787 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.007 2.515 3.831 1.00 0.00 H new ATOM 481 N CYS A 32 13.340 0.139 2.373 1.00 0.00 N ATOM 482 CA CYS A 32 13.280 -1.289 2.117 1.00 0.00 C ATOM 483 C CYS A 32 13.543 -1.584 0.650 1.00 0.00 C ATOM 484 O CYS A 32 13.382 -0.717 -0.206 1.00 0.00 O ATOM 485 CB CYS A 32 11.921 -1.835 2.522 1.00 0.00 C ATOM 486 SG CYS A 32 11.710 -1.978 4.322 1.00 0.00 S ATOM 0 H CYS A 32 12.452 0.625 2.252 1.00 0.00 H new ATOM 0 HA CYS A 32 14.052 -1.778 2.711 1.00 0.00 H new ATOM 0 HB2 CYS A 32 11.142 -1.185 2.123 1.00 0.00 H new ATOM 0 HB3 CYS A 32 11.781 -2.816 2.068 1.00 0.00 H new ATOM 491 N ASP A 33 13.947 -2.812 0.372 1.00 0.00 N ATOM 492 CA ASP A 33 14.244 -3.226 -0.994 1.00 0.00 C ATOM 493 C ASP A 33 13.198 -4.216 -1.492 1.00 0.00 C ATOM 494 O ASP A 33 13.136 -4.525 -2.682 1.00 0.00 O ATOM 495 CB ASP A 33 15.641 -3.844 -1.081 1.00 0.00 C ATOM 496 CG ASP A 33 15.742 -5.171 -0.360 1.00 0.00 C ATOM 497 OD1 ASP A 33 15.579 -5.191 0.878 1.00 0.00 O ATOM 498 OD2 ASP A 33 15.996 -6.202 -1.023 1.00 0.00 O ATOM 0 H ASP A 33 14.078 -3.542 1.072 1.00 0.00 H new ATOM 0 HA ASP A 33 14.218 -2.341 -1.630 1.00 0.00 H new ATOM 0 HB2 ASP A 33 15.907 -3.984 -2.129 1.00 0.00 H new ATOM 0 HB3 ASP A 33 16.367 -3.150 -0.658 1.00 0.00 H new ATOM 503 N ILE A 34 12.385 -4.722 -0.581 1.00 0.00 N ATOM 504 CA ILE A 34 11.269 -5.577 -0.953 1.00 0.00 C ATOM 505 C ILE A 34 9.977 -4.779 -0.805 1.00 0.00 C ATOM 506 O ILE A 34 9.794 -4.078 0.190 1.00 0.00 O ATOM 507 CB ILE A 34 11.229 -6.893 -0.111 1.00 0.00 C ATOM 508 CG1 ILE A 34 10.288 -6.801 1.096 1.00 0.00 C ATOM 509 CG2 ILE A 34 12.623 -7.241 0.371 1.00 0.00 C ATOM 510 CD1 ILE A 34 8.937 -7.452 0.876 1.00 0.00 C ATOM 0 H ILE A 34 12.476 -4.556 0.421 1.00 0.00 H new ATOM 0 HA ILE A 34 11.391 -5.890 -1.990 1.00 0.00 H new ATOM 0 HB ILE A 34 10.844 -7.673 -0.768 1.00 0.00 H new ATOM 0 HG12 ILE A 34 10.769 -7.268 1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 34 10.137 -5.751 1.347 1.00 0.00 H new ATOM 0 HG21 ILE A 34 12.587 -8.159 0.957 1.00 0.00 H new ATOM 0 HG22 ILE A 34 13.280 -7.384 -0.487 1.00 0.00 H new ATOM 0 HG23 ILE A 34 13.007 -6.430 0.990 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.330 -7.344 1.775 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.433 -6.970 0.038 1.00 0.00 H new ATOM 0 HD13 ILE A 34 9.075 -8.511 0.656 1.00 0.00 H new ATOM 522 N ASN A 35 9.110 -4.844 -1.801 1.00 0.00 N ATOM 523 CA ASN A 35 7.890 -4.047 -1.790 1.00 0.00 C ATOM 524 C ASN A 35 6.669 -4.927 -1.556 1.00 0.00 C ATOM 525 O ASN A 35 6.574 -6.030 -2.089 1.00 0.00 O ATOM 526 CB ASN A 35 7.748 -3.240 -3.092 1.00 0.00 C ATOM 527 CG ASN A 35 7.791 -4.090 -4.351 1.00 0.00 C ATOM 528 OD1 ASN A 35 6.768 -4.583 -4.820 1.00 0.00 O ATOM 529 ND2 ASN A 35 8.977 -4.248 -4.923 1.00 0.00 N ATOM 0 H ASN A 35 9.225 -5.436 -2.624 1.00 0.00 H new ATOM 0 HA ASN A 35 7.957 -3.339 -0.964 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.806 -2.692 -3.067 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.547 -2.499 -3.138 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.061 -4.794 -5.781 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.805 -3.824 -4.505 1.00 0.00 H new ATOM 536 N ALA A 36 5.764 -4.457 -0.705 1.00 0.00 N ATOM 537 CA ALA A 36 4.533 -5.187 -0.421 1.00 0.00 C ATOM 538 C ALA A 36 3.347 -4.233 -0.307 1.00 0.00 C ATOM 539 O ALA A 36 3.465 -3.144 0.252 1.00 0.00 O ATOM 540 CB ALA A 36 4.686 -5.992 0.863 1.00 0.00 C ATOM 0 H ALA A 36 5.859 -3.576 -0.200 1.00 0.00 H new ATOM 0 HA ALA A 36 4.342 -5.870 -1.249 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.762 -6.533 1.066 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.505 -6.702 0.752 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.901 -5.318 1.692 1.00 0.00 H new ATOM 546 N ILE A 37 2.207 -4.642 -0.844 1.00 0.00 N ATOM 547 CA ILE A 37 0.989 -3.851 -0.753 1.00 0.00 C ATOM 548 C ILE A 37 0.345 -4.049 0.619 1.00 0.00 C ATOM 549 O ILE A 37 -0.287 -5.065 0.878 1.00 0.00 O ATOM 550 CB ILE A 37 -0.017 -4.246 -1.856 1.00 0.00 C ATOM 551 CG1 ILE A 37 0.630 -4.160 -3.245 1.00 0.00 C ATOM 552 CG2 ILE A 37 -1.255 -3.365 -1.794 1.00 0.00 C ATOM 553 CD1 ILE A 37 1.165 -2.785 -3.589 1.00 0.00 C ATOM 0 H ILE A 37 2.100 -5.521 -1.350 1.00 0.00 H new ATOM 0 HA ILE A 37 1.255 -2.803 -0.889 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.317 -5.279 -1.682 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.446 -4.881 -3.300 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.104 -4.452 -3.996 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.951 -3.660 -2.579 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.735 -3.480 -0.822 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.968 -2.323 -1.936 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.606 -2.805 -4.585 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.350 -2.062 -3.568 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.924 -2.497 -2.862 1.00 0.00 H new ATOM 565 N ILE A 38 0.517 -3.093 1.506 1.00 0.00 N ATOM 566 CA ILE A 38 -0.003 -3.229 2.853 1.00 0.00 C ATOM 567 C ILE A 38 -1.445 -2.745 2.926 1.00 0.00 C ATOM 568 O ILE A 38 -1.707 -1.545 3.007 1.00 0.00 O ATOM 569 CB ILE A 38 0.855 -2.451 3.873 1.00 0.00 C ATOM 570 CG1 ILE A 38 2.297 -2.952 3.844 1.00 0.00 C ATOM 571 CG2 ILE A 38 0.275 -2.577 5.276 1.00 0.00 C ATOM 572 CD1 ILE A 38 3.226 -2.190 4.764 1.00 0.00 C ATOM 0 H ILE A 38 1.009 -2.218 1.323 1.00 0.00 H new ATOM 0 HA ILE A 38 0.035 -4.288 3.107 1.00 0.00 H new ATOM 0 HB ILE A 38 0.846 -1.397 3.595 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.311 -4.006 4.120 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.675 -2.885 2.824 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.896 -2.021 5.978 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.737 -2.173 5.289 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.251 -3.627 5.567 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.232 -2.603 4.689 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.243 -1.139 4.475 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.873 -2.278 5.792 1.00 0.00 H new ATOM 584 N PHE A 39 -2.377 -3.679 2.867 1.00 0.00 N ATOM 585 CA PHE A 39 -3.780 -3.354 3.042 1.00 0.00 C ATOM 586 C PHE A 39 -4.115 -3.366 4.522 1.00 0.00 C ATOM 587 O PHE A 39 -3.703 -4.261 5.257 1.00 0.00 O ATOM 588 CB PHE A 39 -4.694 -4.327 2.288 1.00 0.00 C ATOM 589 CG PHE A 39 -4.767 -4.086 0.804 1.00 0.00 C ATOM 590 CD1 PHE A 39 -4.908 -2.802 0.300 1.00 0.00 C ATOM 591 CD2 PHE A 39 -4.702 -5.145 -0.085 1.00 0.00 C ATOM 592 CE1 PHE A 39 -4.979 -2.583 -1.064 1.00 0.00 C ATOM 593 CE2 PHE A 39 -4.772 -4.929 -1.446 1.00 0.00 C ATOM 594 CZ PHE A 39 -4.911 -3.649 -1.935 1.00 0.00 C ATOM 0 H PHE A 39 -2.188 -4.667 2.699 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.952 -2.361 2.626 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.344 -5.344 2.462 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -5.699 -4.260 2.705 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.963 -1.964 0.979 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.595 -6.152 0.291 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.088 -1.579 -1.446 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.718 -5.764 -2.128 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.967 -3.481 -3.000 1.00 0.00 H new ATOM 604 N HIS A 40 -4.842 -2.362 4.960 1.00 0.00 N ATOM 605 CA HIS A 40 -5.193 -2.245 6.361 1.00 0.00 C ATOM 606 C HIS A 40 -6.655 -2.605 6.526 1.00 0.00 C ATOM 607 O HIS A 40 -7.536 -1.946 5.964 1.00 0.00 O ATOM 608 CB HIS A 40 -4.912 -0.830 6.883 1.00 0.00 C ATOM 609 CG HIS A 40 -3.537 -0.330 6.552 1.00 0.00 C ATOM 610 ND1 HIS A 40 -2.509 -0.247 7.465 1.00 0.00 N ATOM 611 CD2 HIS A 40 -3.025 0.109 5.381 1.00 0.00 C ATOM 612 CE1 HIS A 40 -1.427 0.221 6.860 1.00 0.00 C ATOM 613 NE2 HIS A 40 -1.717 0.448 5.599 1.00 0.00 N ATOM 0 H HIS A 40 -5.202 -1.614 4.368 1.00 0.00 H new ATOM 0 HA HIS A 40 -4.581 -2.930 6.948 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -5.649 -0.144 6.465 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -5.043 -0.818 7.965 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -2.571 -0.505 8.450 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -3.553 0.180 4.442 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -0.467 0.388 7.326 1.00 0.00 H new ATOM 622 N THR A 41 -6.904 -3.665 7.268 1.00 0.00 N ATOM 623 CA THR A 41 -8.237 -4.219 7.381 1.00 0.00 C ATOM 624 C THR A 41 -9.102 -3.446 8.360 1.00 0.00 C ATOM 625 O THR A 41 -8.607 -2.666 9.180 1.00 0.00 O ATOM 626 CB THR A 41 -8.187 -5.695 7.818 1.00 0.00 C ATOM 627 OG1 THR A 41 -7.429 -5.820 9.026 1.00 0.00 O ATOM 628 CG2 THR A 41 -7.570 -6.567 6.736 1.00 0.00 C ATOM 0 H THR A 41 -6.194 -4.163 7.805 1.00 0.00 H new ATOM 0 HA THR A 41 -8.684 -4.141 6.390 1.00 0.00 H new ATOM 0 HB THR A 41 -9.209 -6.032 7.990 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.472 -5.806 8.815 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.548 -7.603 7.073 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.166 -6.494 5.826 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.554 -6.230 6.533 1.00 0.00 H new ATOM 636 N LYS A 42 -10.404 -3.680 8.259 1.00 0.00 N ATOM 637 CA LYS A 42 -11.362 -3.194 9.238 1.00 0.00 C ATOM 638 C LYS A 42 -11.079 -3.841 10.597 1.00 0.00 C ATOM 639 O LYS A 42 -11.584 -3.414 11.639 1.00 0.00 O ATOM 640 CB LYS A 42 -12.783 -3.520 8.760 1.00 0.00 C ATOM 641 CG LYS A 42 -13.868 -3.214 9.775 1.00 0.00 C ATOM 642 CD LYS A 42 -15.251 -3.398 9.182 1.00 0.00 C ATOM 643 CE LYS A 42 -16.322 -3.292 10.246 1.00 0.00 C ATOM 644 NZ LYS A 42 -16.206 -2.031 11.022 1.00 0.00 N ATOM 0 H LYS A 42 -10.823 -4.212 7.496 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.270 -2.113 9.347 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.985 -2.958 7.848 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.833 -4.577 8.500 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.752 -3.866 10.641 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.757 -2.190 10.131 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.423 -2.645 8.413 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -15.314 -4.371 8.695 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -17.305 -3.342 9.778 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.248 -4.143 10.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.063 -1.896 11.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.376 -2.083 11.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.098 -1.230 10.368 1.00 0.00 H new ATOM 658 N LYS A 43 -10.233 -4.861 10.561 1.00 0.00 N ATOM 659 CA LYS A 43 -9.845 -5.596 11.747 1.00 0.00 C ATOM 660 C LYS A 43 -8.697 -4.878 12.465 1.00 0.00 C ATOM 661 O LYS A 43 -8.211 -5.342 13.499 1.00 0.00 O ATOM 662 CB LYS A 43 -9.419 -7.014 11.348 1.00 0.00 C ATOM 663 CG LYS A 43 -9.393 -8.017 12.491 1.00 0.00 C ATOM 664 CD LYS A 43 -10.796 -8.401 12.922 1.00 0.00 C ATOM 665 CE LYS A 43 -10.767 -9.535 13.933 1.00 0.00 C ATOM 666 NZ LYS A 43 -10.141 -9.117 15.216 1.00 0.00 N ATOM 0 H LYS A 43 -9.797 -5.200 9.703 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.693 -5.653 12.429 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.098 -7.379 10.578 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.426 -6.968 10.901 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.849 -8.909 12.182 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.854 -7.592 13.338 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.296 -7.535 13.356 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.378 -8.701 12.051 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.784 -9.881 14.120 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.215 -10.378 13.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.186 -9.902 15.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.147 -8.859 15.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.652 -8.297 15.600 1.00 0.00 H new ATOM 680 N LYS A 44 -8.278 -3.743 11.891 1.00 0.00 N ATOM 681 CA LYS A 44 -7.168 -2.929 12.405 1.00 0.00 C ATOM 682 C LYS A 44 -5.822 -3.620 12.185 1.00 0.00 C ATOM 683 O LYS A 44 -4.796 -3.195 12.717 1.00 0.00 O ATOM 684 CB LYS A 44 -7.350 -2.602 13.894 1.00 0.00 C ATOM 685 CG LYS A 44 -8.576 -1.755 14.193 1.00 0.00 C ATOM 686 CD LYS A 44 -8.667 -1.412 15.674 1.00 0.00 C ATOM 687 CE LYS A 44 -9.905 -0.586 15.988 1.00 0.00 C ATOM 688 NZ LYS A 44 -9.968 0.654 15.173 1.00 0.00 N ATOM 0 H LYS A 44 -8.704 -3.360 11.048 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.175 -1.995 11.844 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.419 -3.534 14.455 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.463 -2.079 14.252 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.537 -0.837 13.607 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.474 -2.291 13.886 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.685 -2.331 16.259 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.776 -0.860 15.975 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.797 -1.186 15.805 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.908 -0.325 17.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.693 1.289 15.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.043 1.130 15.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.212 0.412 14.191 1.00 0.00 H new ATOM 702 N LEU A 45 -5.827 -4.665 11.373 1.00 0.00 N ATOM 703 CA LEU A 45 -4.620 -5.432 11.108 1.00 0.00 C ATOM 704 C LEU A 45 -4.118 -5.162 9.695 1.00 0.00 C ATOM 705 O LEU A 45 -4.911 -5.009 8.763 1.00 0.00 O ATOM 706 CB LEU A 45 -4.890 -6.926 11.294 1.00 0.00 C ATOM 707 CG LEU A 45 -5.341 -7.336 12.697 1.00 0.00 C ATOM 708 CD1 LEU A 45 -5.688 -8.814 12.725 1.00 0.00 C ATOM 709 CD2 LEU A 45 -4.259 -7.022 13.724 1.00 0.00 C ATOM 0 H LEU A 45 -6.656 -5.002 10.884 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.851 -5.123 11.816 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.654 -7.233 10.580 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.983 -7.477 11.046 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.232 -6.763 12.955 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.008 -9.094 13.729 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.495 -9.012 12.019 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.811 -9.399 12.447 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.600 -7.321 14.715 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.350 -7.568 13.473 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.053 -5.952 13.719 1.00 0.00 H new ATOM 721 N SER A 46 -2.811 -5.086 9.541 1.00 0.00 N ATOM 722 CA SER A 46 -2.215 -4.862 8.240 1.00 0.00 C ATOM 723 C SER A 46 -1.880 -6.190 7.563 1.00 0.00 C ATOM 724 O SER A 46 -1.173 -7.028 8.122 1.00 0.00 O ATOM 725 CB SER A 46 -0.973 -3.983 8.387 1.00 0.00 C ATOM 726 OG SER A 46 -0.134 -4.453 9.429 1.00 0.00 O ATOM 0 H SER A 46 -2.140 -5.176 10.304 1.00 0.00 H new ATOM 0 HA SER A 46 -2.932 -4.343 7.603 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.419 -3.971 7.448 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.273 -2.956 8.593 1.00 0.00 H new ATOM 0 HG SER A 46 -0.042 -5.426 9.361 1.00 0.00 H new ATOM 732 N VAL A 47 -2.409 -6.375 6.367 1.00 0.00 N ATOM 733 CA VAL A 47 -2.189 -7.591 5.613 1.00 0.00 C ATOM 734 C VAL A 47 -1.206 -7.318 4.491 1.00 0.00 C ATOM 735 O VAL A 47 -1.331 -6.319 3.782 1.00 0.00 O ATOM 736 CB VAL A 47 -3.507 -8.138 5.023 1.00 0.00 C ATOM 737 CG1 VAL A 47 -3.267 -9.417 4.235 1.00 0.00 C ATOM 738 CG2 VAL A 47 -4.524 -8.382 6.126 1.00 0.00 C ATOM 0 H VAL A 47 -2.999 -5.690 5.895 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.786 -8.343 6.292 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.904 -7.388 4.339 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.213 -9.779 3.832 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.577 -9.216 3.416 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.839 -10.174 4.892 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.446 -8.767 5.692 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.125 -9.108 6.834 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.730 -7.446 6.644 1.00 0.00 H new ATOM 748 N CYS A 48 -0.235 -8.199 4.329 1.00 0.00 N ATOM 749 CA CYS A 48 0.777 -8.016 3.319 1.00 0.00 C ATOM 750 C CYS A 48 0.282 -8.564 1.998 1.00 0.00 C ATOM 751 O CYS A 48 0.491 -9.736 1.664 1.00 0.00 O ATOM 752 CB CYS A 48 2.080 -8.690 3.735 1.00 0.00 C ATOM 753 SG CYS A 48 2.743 -8.074 5.316 1.00 0.00 S ATOM 0 H CYS A 48 -0.131 -9.047 4.887 1.00 0.00 H new ATOM 0 HA CYS A 48 0.977 -6.951 3.204 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.915 -9.765 3.813 1.00 0.00 H new ATOM 0 HB3 CYS A 48 2.825 -8.538 2.954 1.00 0.00 H new ATOM 758 N ALA A 49 -0.429 -7.717 1.281 1.00 0.00 N ATOM 759 CA ALA A 49 -0.958 -8.066 -0.012 1.00 0.00 C ATOM 760 C ALA A 49 0.171 -8.115 -1.023 1.00 0.00 C ATOM 761 O ALA A 49 1.171 -7.404 -0.897 1.00 0.00 O ATOM 762 CB ALA A 49 -2.025 -7.074 -0.425 1.00 0.00 C ATOM 0 H ALA A 49 -0.653 -6.769 1.583 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.422 -9.051 0.035 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.417 -7.348 -1.404 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -2.834 -7.084 0.306 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.593 -6.074 -0.474 1.00 0.00 H new ATOM 768 N ASN A 50 0.021 -8.970 -2.008 1.00 0.00 N ATOM 769 CA ASN A 50 1.097 -9.229 -2.941 1.00 0.00 C ATOM 770 C ASN A 50 1.102 -8.172 -4.028 1.00 0.00 C ATOM 771 O ASN A 50 0.073 -7.566 -4.309 1.00 0.00 O ATOM 772 CB ASN A 50 0.965 -10.620 -3.579 1.00 0.00 C ATOM 773 CG ASN A 50 0.338 -11.682 -2.682 1.00 0.00 C ATOM 774 OD1 ASN A 50 -0.213 -12.660 -3.181 1.00 0.00 O ATOM 775 ND2 ASN A 50 0.342 -11.484 -1.370 1.00 0.00 N ATOM 0 H ASN A 50 -0.833 -9.498 -2.185 1.00 0.00 H new ATOM 0 HA ASN A 50 2.035 -9.195 -2.387 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.367 -10.532 -4.486 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.955 -10.960 -3.882 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.119 -12.152 -0.752 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.806 -10.664 -0.979 1.00 0.00 H new ATOM 782 N PRO A 51 2.263 -7.882 -4.609 1.00 0.00 N ATOM 783 CA PRO A 51 2.353 -7.018 -5.774 1.00 0.00 C ATOM 784 C PRO A 51 2.223 -7.768 -7.116 1.00 0.00 C ATOM 785 O PRO A 51 2.807 -7.349 -8.117 1.00 0.00 O ATOM 786 CB PRO A 51 3.753 -6.407 -5.662 1.00 0.00 C ATOM 787 CG PRO A 51 4.398 -7.033 -4.461 1.00 0.00 C ATOM 788 CD PRO A 51 3.589 -8.248 -4.118 1.00 0.00 C ATOM 0 HA PRO A 51 1.538 -6.294 -5.779 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.335 -6.605 -6.562 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.696 -5.324 -5.551 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.432 -7.305 -4.675 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.419 -6.334 -3.625 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.972 -9.144 -4.607 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.586 -8.447 -3.046 1.00 0.00 H new ATOM 796 N LYS A 52 1.444 -8.850 -7.153 1.00 0.00 N ATOM 797 CA LYS A 52 1.372 -9.690 -8.362 1.00 0.00 C ATOM 798 C LYS A 52 -0.069 -10.021 -8.772 1.00 0.00 C ATOM 799 O LYS A 52 -0.504 -9.688 -9.871 1.00 0.00 O ATOM 800 CB LYS A 52 2.155 -10.992 -8.153 1.00 0.00 C ATOM 801 CG LYS A 52 3.636 -10.783 -7.865 1.00 0.00 C ATOM 802 CD LYS A 52 4.380 -12.106 -7.785 1.00 0.00 C ATOM 803 CE LYS A 52 4.353 -12.837 -9.118 1.00 0.00 C ATOM 804 NZ LYS A 52 4.961 -14.187 -9.027 1.00 0.00 N ATOM 0 H LYS A 52 0.861 -9.166 -6.378 1.00 0.00 H new ATOM 0 HA LYS A 52 1.817 -9.110 -9.170 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.709 -11.544 -7.326 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.052 -11.613 -9.043 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.076 -10.164 -8.647 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.752 -10.242 -6.926 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.413 -11.927 -7.487 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.930 -12.733 -7.015 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.322 -12.927 -9.461 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.887 -12.249 -9.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.921 -14.649 -9.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.952 -14.102 -8.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.436 -14.758 -8.334 1.00 0.00 H new ATOM 818 N GLN A 53 -0.781 -10.706 -7.887 1.00 0.00 N ATOM 819 CA GLN A 53 -2.170 -11.113 -8.121 1.00 0.00 C ATOM 820 C GLN A 53 -3.078 -9.922 -8.438 1.00 0.00 C ATOM 821 O GLN A 53 -2.941 -8.837 -7.869 1.00 0.00 O ATOM 822 CB GLN A 53 -2.711 -11.890 -6.909 1.00 0.00 C ATOM 823 CG GLN A 53 -1.852 -11.771 -5.655 1.00 0.00 C ATOM 824 CD GLN A 53 -1.736 -10.350 -5.140 1.00 0.00 C ATOM 825 OE1 GLN A 53 -0.941 -9.565 -5.635 1.00 0.00 O ATOM 826 NE2 GLN A 53 -2.443 -10.037 -4.086 1.00 0.00 N ATOM 0 H GLN A 53 -0.414 -10.999 -6.981 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.173 -11.763 -8.996 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.716 -11.534 -6.682 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.799 -12.943 -7.177 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.275 -12.400 -4.872 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.855 -12.155 -5.868 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.099 -10.712 -3.693 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.338 -9.118 -3.656 1.00 0.00 H new ATOM 835 N THR A 54 -4.025 -10.149 -9.341 1.00 0.00 N ATOM 836 CA THR A 54 -4.863 -9.082 -9.865 1.00 0.00 C ATOM 837 C THR A 54 -5.933 -8.606 -8.890 1.00 0.00 C ATOM 838 O THR A 54 -6.441 -7.497 -9.040 1.00 0.00 O ATOM 839 CB THR A 54 -5.530 -9.501 -11.182 1.00 0.00 C ATOM 840 OG1 THR A 54 -5.856 -10.896 -11.156 1.00 0.00 O ATOM 841 CG2 THR A 54 -4.621 -9.197 -12.356 1.00 0.00 C ATOM 0 H THR A 54 -4.231 -11.071 -9.727 1.00 0.00 H new ATOM 0 HA THR A 54 -4.187 -8.244 -10.036 1.00 0.00 H new ATOM 0 HB THR A 54 -6.451 -8.930 -11.298 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.282 -11.148 -12.002 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.109 -9.500 -13.282 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.414 -8.127 -12.388 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.685 -9.744 -12.243 1.00 0.00 H new ATOM 849 N TRP A 55 -6.284 -9.416 -7.897 1.00 0.00 N ATOM 850 CA TRP A 55 -7.251 -8.972 -6.901 1.00 0.00 C ATOM 851 C TRP A 55 -6.699 -7.783 -6.132 1.00 0.00 C ATOM 852 O TRP A 55 -7.441 -6.883 -5.742 1.00 0.00 O ATOM 853 CB TRP A 55 -7.666 -10.103 -5.968 1.00 0.00 C ATOM 854 CG TRP A 55 -6.579 -10.574 -5.083 1.00 0.00 C ATOM 855 CD1 TRP A 55 -5.703 -11.552 -5.317 1.00 0.00 C ATOM 856 CD2 TRP A 55 -6.262 -10.063 -3.828 1.00 0.00 C ATOM 857 NE1 TRP A 55 -4.859 -11.699 -4.271 1.00 0.00 N ATOM 858 CE2 TRP A 55 -5.180 -10.785 -3.330 1.00 0.00 C ATOM 859 CE3 TRP A 55 -6.793 -9.065 -3.086 1.00 0.00 C ATOM 860 CZ2 TRP A 55 -4.618 -10.524 -2.097 1.00 0.00 C ATOM 861 CZ3 TRP A 55 -6.267 -8.799 -1.884 1.00 0.00 C ATOM 862 CH2 TRP A 55 -5.181 -9.510 -1.381 1.00 0.00 C ATOM 0 H TRP A 55 -5.924 -10.361 -7.761 1.00 0.00 H new ATOM 0 HA TRP A 55 -8.155 -8.655 -7.422 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -8.502 -9.767 -5.354 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -8.025 -10.941 -6.565 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -5.672 -12.145 -6.219 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -4.107 -12.385 -4.204 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -7.629 -8.491 -3.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -3.779 -11.091 -1.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.698 -8.009 -1.287 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.780 -9.255 -0.411 1.00 0.00 H new ATOM 873 N VAL A 56 -5.388 -7.770 -5.958 1.00 0.00 N ATOM 874 CA VAL A 56 -4.716 -6.644 -5.352 1.00 0.00 C ATOM 875 C VAL A 56 -4.772 -5.447 -6.282 1.00 0.00 C ATOM 876 O VAL A 56 -5.118 -4.345 -5.865 1.00 0.00 O ATOM 877 CB VAL A 56 -3.255 -6.995 -5.011 1.00 0.00 C ATOM 878 CG1 VAL A 56 -2.277 -5.929 -5.474 1.00 0.00 C ATOM 879 CG2 VAL A 56 -3.122 -7.221 -3.525 1.00 0.00 C ATOM 0 H VAL A 56 -4.769 -8.533 -6.231 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.227 -6.394 -4.422 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.002 -7.909 -5.548 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.262 -6.226 -5.209 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.350 -5.813 -6.555 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.516 -4.982 -4.991 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.088 -7.469 -3.286 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.410 -6.315 -2.992 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.772 -8.042 -3.222 1.00 0.00 H new ATOM 889 N LYS A 57 -4.469 -5.692 -7.549 1.00 0.00 N ATOM 890 CA LYS A 57 -4.439 -4.639 -8.548 1.00 0.00 C ATOM 891 C LYS A 57 -5.826 -4.037 -8.733 1.00 0.00 C ATOM 892 O LYS A 57 -5.963 -2.887 -9.136 1.00 0.00 O ATOM 893 CB LYS A 57 -3.889 -5.182 -9.870 1.00 0.00 C ATOM 894 CG LYS A 57 -2.518 -5.824 -9.718 1.00 0.00 C ATOM 895 CD LYS A 57 -1.944 -6.274 -11.052 1.00 0.00 C ATOM 896 CE LYS A 57 -0.589 -6.941 -10.869 1.00 0.00 C ATOM 897 NZ LYS A 57 0.062 -7.270 -12.168 1.00 0.00 N ATOM 0 H LYS A 57 -4.239 -6.618 -7.909 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.776 -3.845 -8.204 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.586 -5.916 -10.274 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.827 -4.369 -10.594 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.836 -5.113 -9.252 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.592 -6.681 -9.049 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.633 -6.969 -11.532 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.843 -5.416 -11.716 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.063 -6.282 -10.296 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.712 -7.854 -10.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.982 -7.722 -11.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.546 -7.920 -12.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.205 -6.397 -12.715 1.00 0.00 H new ATOM 911 N TYR A 58 -6.848 -4.816 -8.411 1.00 0.00 N ATOM 912 CA TYR A 58 -8.213 -4.330 -8.422 1.00 0.00 C ATOM 913 C TYR A 58 -8.467 -3.417 -7.223 1.00 0.00 C ATOM 914 O TYR A 58 -8.971 -2.305 -7.380 1.00 0.00 O ATOM 915 CB TYR A 58 -9.185 -5.514 -8.416 1.00 0.00 C ATOM 916 CG TYR A 58 -10.580 -5.176 -7.935 1.00 0.00 C ATOM 917 CD1 TYR A 58 -11.375 -4.268 -8.618 1.00 0.00 C ATOM 918 CD2 TYR A 58 -11.100 -5.781 -6.798 1.00 0.00 C ATOM 919 CE1 TYR A 58 -12.649 -3.968 -8.179 1.00 0.00 C ATOM 920 CE2 TYR A 58 -12.371 -5.487 -6.354 1.00 0.00 C ATOM 921 CZ TYR A 58 -13.143 -4.582 -7.048 1.00 0.00 C ATOM 922 OH TYR A 58 -14.416 -4.289 -6.606 1.00 0.00 O ATOM 0 H TYR A 58 -6.753 -5.794 -8.137 1.00 0.00 H new ATOM 0 HA TYR A 58 -8.374 -3.748 -9.329 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.250 -5.920 -9.426 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.776 -6.301 -7.782 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -10.992 -3.788 -9.507 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.498 -6.493 -6.253 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.256 -3.256 -8.719 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -12.760 -5.964 -5.466 1.00 0.00 H new ATOM 0 HH TYR A 58 -14.609 -4.808 -5.798 1.00 0.00 H new ATOM 932 N ILE A 59 -8.101 -3.884 -6.030 1.00 0.00 N ATOM 933 CA ILE A 59 -8.320 -3.112 -4.813 1.00 0.00 C ATOM 934 C ILE A 59 -7.477 -1.834 -4.813 1.00 0.00 C ATOM 935 O ILE A 59 -7.992 -0.745 -4.560 1.00 0.00 O ATOM 936 CB ILE A 59 -8.000 -3.929 -3.541 1.00 0.00 C ATOM 937 CG1 ILE A 59 -8.849 -5.199 -3.491 1.00 0.00 C ATOM 938 CG2 ILE A 59 -8.246 -3.086 -2.294 1.00 0.00 C ATOM 939 CD1 ILE A 59 -8.437 -6.153 -2.397 1.00 0.00 C ATOM 0 H ILE A 59 -7.654 -4.789 -5.883 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.378 -2.851 -4.799 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.948 -4.214 -3.572 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -9.894 -4.923 -3.348 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.783 -5.709 -4.452 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.016 -3.675 -1.406 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.607 -2.203 -2.320 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -9.291 -2.777 -2.264 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.081 -7.032 -2.419 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.402 -6.458 -2.551 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.530 -5.659 -1.430 1.00 0.00 H new ATOM 951 N VAL A 60 -6.189 -1.965 -5.127 1.00 0.00 N ATOM 952 CA VAL A 60 -5.286 -0.815 -5.139 1.00 0.00 C ATOM 953 C VAL A 60 -5.686 0.177 -6.234 1.00 0.00 C ATOM 954 O VAL A 60 -5.475 1.382 -6.095 1.00 0.00 O ATOM 955 CB VAL A 60 -3.800 -1.234 -5.300 1.00 0.00 C ATOM 956 CG1 VAL A 60 -3.559 -1.922 -6.633 1.00 0.00 C ATOM 957 CG2 VAL A 60 -2.887 -0.031 -5.164 1.00 0.00 C ATOM 0 H VAL A 60 -5.749 -2.851 -5.375 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.380 -0.327 -4.169 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.572 -1.944 -4.505 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.509 -2.202 -6.713 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.179 -2.816 -6.698 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.816 -1.242 -7.445 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.850 -0.346 -5.280 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.132 0.701 -5.934 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.022 0.419 -4.180 1.00 0.00 H new ATOM 967 N ARG A 61 -6.286 -0.330 -7.309 1.00 0.00 N ATOM 968 CA ARG A 61 -6.821 0.528 -8.359 1.00 0.00 C ATOM 969 C ARG A 61 -7.947 1.382 -7.794 1.00 0.00 C ATOM 970 O ARG A 61 -8.017 2.583 -8.046 1.00 0.00 O ATOM 971 CB ARG A 61 -7.348 -0.316 -9.517 1.00 0.00 C ATOM 972 CG ARG A 61 -7.639 0.478 -10.778 1.00 0.00 C ATOM 973 CD ARG A 61 -8.221 -0.411 -11.863 1.00 0.00 C ATOM 974 NE ARG A 61 -7.393 -1.591 -12.107 1.00 0.00 N ATOM 975 CZ ARG A 61 -7.690 -2.543 -12.993 1.00 0.00 C ATOM 976 NH1 ARG A 61 -8.745 -2.421 -13.788 1.00 0.00 N ATOM 977 NH2 ARG A 61 -6.925 -3.617 -13.093 1.00 0.00 N ATOM 0 H ARG A 61 -6.413 -1.329 -7.474 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.024 1.172 -8.729 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.618 -1.092 -9.749 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -8.260 -0.821 -9.199 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.337 1.284 -10.551 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.721 0.943 -11.138 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.224 -0.725 -11.575 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.319 0.160 -12.786 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.534 -1.693 -11.566 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.338 -1.593 -13.725 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.963 -3.155 -14.462 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.107 -3.718 -12.492 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.153 -4.344 -13.771 1.00 0.00 H new ATOM 991 N LEU A 62 -8.813 0.751 -7.010 1.00 0.00 N ATOM 992 CA LEU A 62 -9.915 1.453 -6.370 1.00 0.00 C ATOM 993 C LEU A 62 -9.394 2.473 -5.371 1.00 0.00 C ATOM 994 O LEU A 62 -9.877 3.599 -5.320 1.00 0.00 O ATOM 995 CB LEU A 62 -10.865 0.472 -5.677 1.00 0.00 C ATOM 996 CG LEU A 62 -11.713 -0.395 -6.609 1.00 0.00 C ATOM 997 CD1 LEU A 62 -12.604 -1.316 -5.797 1.00 0.00 C ATOM 998 CD2 LEU A 62 -12.554 0.465 -7.543 1.00 0.00 C ATOM 0 H LEU A 62 -8.772 -0.247 -6.803 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.472 1.977 -7.147 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.277 -0.184 -5.035 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.533 1.038 -5.028 1.00 0.00 H new ATOM 0 HG LEU A 62 -11.041 -0.998 -7.220 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -13.204 -1.929 -6.470 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.987 -1.961 -5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -13.263 -0.721 -5.165 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -13.147 -0.177 -8.194 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -13.219 1.098 -6.955 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.899 1.091 -8.149 1.00 0.00 H new ATOM 1010 N LEU A 63 -8.398 2.076 -4.587 1.00 0.00 N ATOM 1011 CA LEU A 63 -7.762 2.988 -3.648 1.00 0.00 C ATOM 1012 C LEU A 63 -7.201 4.207 -4.368 1.00 0.00 C ATOM 1013 O LEU A 63 -7.483 5.341 -3.995 1.00 0.00 O ATOM 1014 CB LEU A 63 -6.656 2.279 -2.874 1.00 0.00 C ATOM 1015 CG LEU A 63 -7.080 1.652 -1.540 1.00 0.00 C ATOM 1016 CD1 LEU A 63 -7.634 2.709 -0.598 1.00 0.00 C ATOM 1017 CD2 LEU A 63 -8.100 0.544 -1.745 1.00 0.00 C ATOM 0 H LEU A 63 -8.015 1.131 -4.584 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.521 3.325 -2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.238 1.496 -3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.856 2.994 -2.681 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.190 1.212 -1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.928 2.241 0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.869 3.461 -0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.503 3.184 -1.054 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.378 0.122 -0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.986 0.951 -2.232 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.668 -0.237 -2.371 1.00 0.00 H new ATOM 1029 N SER A 64 -6.444 3.963 -5.427 1.00 0.00 N ATOM 1030 CA SER A 64 -5.780 5.032 -6.166 1.00 0.00 C ATOM 1031 C SER A 64 -6.782 5.937 -6.890 1.00 0.00 C ATOM 1032 O SER A 64 -6.442 7.047 -7.299 1.00 0.00 O ATOM 1033 CB SER A 64 -4.800 4.433 -7.177 1.00 0.00 C ATOM 1034 OG SER A 64 -3.881 3.552 -6.543 1.00 0.00 O ATOM 0 H SER A 64 -6.272 3.028 -5.798 1.00 0.00 H new ATOM 0 HA SER A 64 -5.241 5.646 -5.444 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.352 3.894 -7.947 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.255 5.233 -7.677 1.00 0.00 H new ATOM 0 HG SER A 64 -4.330 2.706 -6.335 1.00 0.00 H new ATOM 1040 N LYS A 65 -8.011 5.466 -7.057 1.00 0.00 N ATOM 1041 CA LYS A 65 -9.021 6.237 -7.777 1.00 0.00 C ATOM 1042 C LYS A 65 -10.086 6.790 -6.842 1.00 0.00 C ATOM 1043 O LYS A 65 -11.023 7.455 -7.282 1.00 0.00 O ATOM 1044 CB LYS A 65 -9.673 5.379 -8.864 1.00 0.00 C ATOM 1045 CG LYS A 65 -8.712 4.945 -9.965 1.00 0.00 C ATOM 1046 CD LYS A 65 -8.218 6.128 -10.789 1.00 0.00 C ATOM 1047 CE LYS A 65 -9.355 6.790 -11.551 1.00 0.00 C ATOM 1048 NZ LYS A 65 -8.879 7.907 -12.409 1.00 0.00 N ATOM 0 H LYS A 65 -8.332 4.563 -6.708 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.514 7.083 -8.241 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.106 4.492 -8.402 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.494 5.939 -9.311 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.860 4.431 -9.521 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.210 4.229 -10.620 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.745 6.858 -10.132 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.456 5.791 -11.491 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.857 6.046 -12.170 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.094 7.167 -10.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.687 8.329 -12.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.423 8.630 -11.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.193 7.545 -13.102 1.00 0.00 H new ATOM 1062 N LYS A 66 -9.944 6.525 -5.556 1.00 0.00 N ATOM 1063 CA LYS A 66 -10.917 7.003 -4.579 1.00 0.00 C ATOM 1064 C LYS A 66 -10.253 7.942 -3.580 1.00 0.00 C ATOM 1065 O LYS A 66 -10.915 8.528 -2.721 1.00 0.00 O ATOM 1066 CB LYS A 66 -11.590 5.829 -3.855 1.00 0.00 C ATOM 1067 CG LYS A 66 -12.876 6.219 -3.133 1.00 0.00 C ATOM 1068 CD LYS A 66 -13.547 5.030 -2.469 1.00 0.00 C ATOM 1069 CE LYS A 66 -14.884 5.431 -1.852 1.00 0.00 C ATOM 1070 NZ LYS A 66 -15.573 4.287 -1.200 1.00 0.00 N ATOM 0 H LYS A 66 -9.173 5.986 -5.162 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.690 7.557 -5.112 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -11.812 5.045 -4.579 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.890 5.408 -3.133 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.652 6.975 -2.380 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.566 6.672 -3.844 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -13.704 4.240 -3.203 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.894 4.623 -1.697 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -14.720 6.219 -1.117 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -15.529 5.846 -2.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -16.476 4.610 -0.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -15.755 3.544 -1.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -14.971 3.906 -0.442 1.00 0.00 H new ATOM 1084 N VAL A 67 -8.944 8.094 -3.708 1.00 0.00 N ATOM 1085 CA VAL A 67 -8.198 8.997 -2.840 1.00 0.00 C ATOM 1086 C VAL A 67 -8.538 10.450 -3.148 1.00 0.00 C ATOM 1087 O VAL A 67 -8.644 10.848 -4.311 1.00 0.00 O ATOM 1088 CB VAL A 67 -6.669 8.794 -2.950 1.00 0.00 C ATOM 1089 CG1 VAL A 67 -6.253 7.499 -2.270 1.00 0.00 C ATOM 1090 CG2 VAL A 67 -6.216 8.801 -4.403 1.00 0.00 C ATOM 0 H VAL A 67 -8.376 7.607 -4.401 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.496 8.759 -1.819 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.183 9.627 -2.442 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.174 7.373 -2.357 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.530 7.536 -1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.757 6.659 -2.748 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.137 8.656 -4.448 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.713 7.995 -4.943 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.473 9.757 -4.860 1.00 0.00 H new ATOM 1100 N LYS A 68 -8.726 11.236 -2.103 1.00 0.00 N ATOM 1101 CA LYS A 68 -9.029 12.644 -2.265 1.00 0.00 C ATOM 1102 C LYS A 68 -7.752 13.453 -2.407 1.00 0.00 C ATOM 1103 O LYS A 68 -7.121 13.817 -1.416 1.00 0.00 O ATOM 1104 CB LYS A 68 -9.854 13.169 -1.087 1.00 0.00 C ATOM 1105 CG LYS A 68 -11.312 12.744 -1.124 1.00 0.00 C ATOM 1106 CD LYS A 68 -12.067 13.426 -2.258 1.00 0.00 C ATOM 1107 CE LYS A 68 -12.920 14.592 -1.763 1.00 0.00 C ATOM 1108 NZ LYS A 68 -12.113 15.686 -1.152 1.00 0.00 N ATOM 0 H LYS A 68 -8.674 10.922 -1.134 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.619 12.755 -3.175 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.406 12.819 -0.157 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.802 14.258 -1.076 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.373 11.662 -1.244 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.786 12.986 -0.173 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.355 13.788 -3.000 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.705 12.697 -2.757 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.495 14.994 -2.597 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.638 14.224 -1.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.749 16.417 -0.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.532 15.300 -0.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.494 16.106 -1.874 1.00 0.00 H new ATOM 1122 N ASN A 69 -7.352 13.689 -3.647 1.00 0.00 N ATOM 1123 CA ASN A 69 -6.251 14.598 -3.929 1.00 0.00 C ATOM 1124 C ASN A 69 -6.805 16.002 -4.115 1.00 0.00 C ATOM 1125 O ASN A 69 -6.064 16.963 -4.327 1.00 0.00 O ATOM 1126 CB ASN A 69 -5.468 14.152 -5.174 1.00 0.00 C ATOM 1127 CG ASN A 69 -6.306 14.170 -6.438 1.00 0.00 C ATOM 1128 OD1 ASN A 69 -6.998 13.204 -6.750 1.00 0.00 O ATOM 1129 ND2 ASN A 69 -6.236 15.262 -7.181 1.00 0.00 N ATOM 0 H ASN A 69 -7.773 13.264 -4.474 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.556 14.588 -3.089 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.605 14.805 -5.307 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.084 13.145 -5.013 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.769 15.324 -8.049 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.649 16.043 -6.886 1.00 0.00 H new ATOM 1136 N MET A 70 -8.127 16.098 -4.034 1.00 0.00 N ATOM 1137 CA MET A 70 -8.828 17.366 -4.108 1.00 0.00 C ATOM 1138 C MET A 70 -9.840 17.437 -2.978 1.00 0.00 C ATOM 1139 O MET A 70 -10.967 16.932 -3.160 1.00 0.00 O ATOM 1140 CB MET A 70 -9.535 17.520 -5.460 1.00 0.00 C ATOM 1141 CG MET A 70 -8.584 17.632 -6.642 1.00 0.00 C ATOM 1142 SD MET A 70 -9.441 17.734 -8.230 1.00 0.00 S ATOM 1143 CE MET A 70 -10.312 16.170 -8.258 1.00 0.00 C ATOM 1144 OXT MET A 70 -9.497 17.960 -1.901 1.00 0.00 O ATOM 0 H MET A 70 -8.742 15.293 -3.915 1.00 0.00 H new ATOM 0 HA MET A 70 -8.108 18.178 -4.011 1.00 0.00 H new ATOM 0 HB2 MET A 70 -10.193 16.665 -5.615 1.00 0.00 H new ATOM 0 HB3 MET A 70 -10.168 18.407 -5.429 1.00 0.00 H new ATOM 0 HG2 MET A 70 -7.958 18.516 -6.516 1.00 0.00 H new ATOM 0 HG3 MET A 70 -7.919 16.769 -6.649 1.00 0.00 H new ATOM 0 HE1 MET A 70 -10.261 15.743 -9.259 1.00 0.00 H new ATOM 0 HE2 MET A 70 -9.851 15.484 -7.547 1.00 0.00 H new ATOM 0 HE3 MET A 70 -11.355 16.329 -7.985 1.00 0.00 H new TER 1154 MET A 70