USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 557 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 Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 149:sc= 0.308 (180deg=-0.278) USER MOD Single : A 24 GLN : amide:sc= -1.51 K(o=-1.5,f=-3.9!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= -0.23 (180deg=-0.23) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.0726 X(o=-0.073,f=0) USER MOD Single : A 31 MET CE :methyl -112:sc= -1.59 (180deg=-2.79) USER MOD Single : A 33 HIS : no HD1:sc= -1.83! C(o=-1.8!,f=-2.8!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -106:sc= 0.872 USER MOD Single : A 41 CYS SG : rot 16:sc= 0.192 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.962 K(o=-0.96,f=-5.7!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 117:sc= -5.22! USER MOD Single : A 50 TYR OH : rot -157:sc= 0.128 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0406 USER MOD Single : A 55 GLN : amide:sc= -1 K(o=-1,f=-7.2!) USER MOD Single : A 60 THR OG1 : rot 77:sc= 1.03 USER MOD Single : A 81 SER OG : rot 79:sc= 0.374 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 2 20.619 -5.517 -6.480 1.00 0.00 N ATOM 18 CA LYS A 2 19.520 -5.545 -5.471 1.00 0.00 C ATOM 19 C LYS A 2 19.380 -4.172 -4.805 1.00 0.00 C ATOM 20 O LYS A 2 19.195 -4.067 -3.609 1.00 0.00 O ATOM 21 CB LYS A 2 19.931 -6.607 -4.443 1.00 0.00 C ATOM 22 CG LYS A 2 21.446 -6.569 -4.217 1.00 0.00 C ATOM 23 CD LYS A 2 21.835 -5.245 -3.558 1.00 0.00 C ATOM 24 CE LYS A 2 23.060 -5.459 -2.667 1.00 0.00 C ATOM 25 NZ LYS A 2 22.547 -5.349 -1.273 1.00 0.00 N ATOM 0 HA LYS A 2 18.556 -5.780 -5.923 1.00 0.00 H new ATOM 0 HB2 LYS A 2 19.411 -6.432 -3.501 1.00 0.00 H new ATOM 0 HB3 LYS A 2 19.633 -7.596 -4.792 1.00 0.00 H new ATOM 0 HG2 LYS A 2 21.750 -7.404 -3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 2 21.968 -6.681 -5.167 1.00 0.00 H new ATOM 0 HD2 LYS A 2 22.053 -4.497 -4.321 1.00 0.00 H new ATOM 0 HD3 LYS A 2 21.003 -4.863 -2.966 1.00 0.00 H new ATOM 0 HE2 LYS A 2 23.512 -6.435 -2.845 1.00 0.00 H new ATOM 0 HE3 LYS A 2 23.828 -4.711 -2.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 23.331 -5.485 -0.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 22.129 -4.408 -1.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 21.823 -6.078 -1.111 1.00 0.00 H new ATOM 39 N ALA A 3 19.466 -3.121 -5.573 1.00 0.00 N ATOM 40 CA ALA A 3 19.340 -1.754 -4.992 1.00 0.00 C ATOM 41 C ALA A 3 17.967 -1.580 -4.337 1.00 0.00 C ATOM 42 O ALA A 3 16.945 -1.858 -4.933 1.00 0.00 O ATOM 43 CB ALA A 3 19.485 -0.810 -6.183 1.00 0.00 C ATOM 0 H ALA A 3 19.619 -3.150 -6.581 1.00 0.00 H new ATOM 0 HA ALA A 3 20.086 -1.562 -4.221 1.00 0.00 H new ATOM 0 HB1 ALA A 3 19.404 0.222 -5.841 1.00 0.00 H new ATOM 0 HB2 ALA A 3 20.457 -0.962 -6.651 1.00 0.00 H new ATOM 0 HB3 ALA A 3 18.697 -1.015 -6.908 1.00 0.00 H new ATOM 49 N SER A 4 17.932 -1.118 -3.116 1.00 0.00 N ATOM 50 CA SER A 4 16.621 -0.926 -2.435 1.00 0.00 C ATOM 51 C SER A 4 15.674 -0.131 -3.338 1.00 0.00 C ATOM 52 O SER A 4 16.029 0.262 -4.431 1.00 0.00 O ATOM 53 CB SER A 4 16.941 -0.136 -1.165 1.00 0.00 C ATOM 54 OG SER A 4 17.570 1.089 -1.519 1.00 0.00 O ATOM 0 H SER A 4 18.751 -0.866 -2.563 1.00 0.00 H new ATOM 0 HA SER A 4 16.130 -1.872 -2.209 1.00 0.00 H new ATOM 0 HB2 SER A 4 16.027 0.060 -0.605 1.00 0.00 H new ATOM 0 HB3 SER A 4 17.594 -0.719 -0.515 1.00 0.00 H new ATOM 0 HG SER A 4 17.775 1.598 -0.707 1.00 0.00 H new ATOM 60 N CYS A 5 14.473 0.110 -2.892 1.00 0.00 N ATOM 61 CA CYS A 5 13.511 0.883 -3.729 1.00 0.00 C ATOM 62 C CYS A 5 13.459 2.339 -3.259 1.00 0.00 C ATOM 63 O CYS A 5 14.392 2.842 -2.665 1.00 0.00 O ATOM 64 CB CYS A 5 12.160 0.199 -3.520 1.00 0.00 C ATOM 65 SG CYS A 5 12.352 -1.594 -3.693 1.00 0.00 S ATOM 0 H CYS A 5 14.116 -0.194 -1.986 1.00 0.00 H new ATOM 0 HA CYS A 5 13.796 0.898 -4.781 1.00 0.00 H new ATOM 0 HB2 CYS A 5 11.769 0.439 -2.531 1.00 0.00 H new ATOM 0 HB3 CYS A 5 11.437 0.569 -4.247 1.00 0.00 H new ATOM 70 N LYS A 6 12.378 3.017 -3.519 1.00 0.00 N ATOM 71 CA LYS A 6 12.267 4.440 -3.085 1.00 0.00 C ATOM 72 C LYS A 6 10.817 4.760 -2.714 1.00 0.00 C ATOM 73 O LYS A 6 9.964 4.885 -3.570 1.00 0.00 O ATOM 74 CB LYS A 6 12.708 5.258 -4.299 1.00 0.00 C ATOM 75 CG LYS A 6 13.374 6.553 -3.829 1.00 0.00 C ATOM 76 CD LYS A 6 12.980 7.698 -4.763 1.00 0.00 C ATOM 77 CE LYS A 6 14.198 8.134 -5.582 1.00 0.00 C ATOM 78 NZ LYS A 6 14.634 9.419 -4.967 1.00 0.00 N ATOM 0 H LYS A 6 11.565 2.649 -4.013 1.00 0.00 H new ATOM 0 HA LYS A 6 12.876 4.658 -2.208 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.403 4.679 -4.907 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.848 5.487 -4.928 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.069 6.781 -2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.457 6.434 -3.819 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.177 7.379 -5.428 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.599 8.539 -4.184 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.991 7.387 -5.540 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.941 8.266 -6.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.466 9.782 -5.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.862 10.113 -5.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.879 9.261 -3.969 1.00 0.00 H new ATOM 92 N LEU A 7 10.535 4.888 -1.444 1.00 0.00 N ATOM 93 CA LEU A 7 9.140 5.192 -1.005 1.00 0.00 C ATOM 94 C LEU A 7 8.478 6.190 -1.966 1.00 0.00 C ATOM 95 O LEU A 7 8.712 7.379 -1.875 1.00 0.00 O ATOM 96 CB LEU A 7 9.292 5.811 0.385 1.00 0.00 C ATOM 97 CG LEU A 7 10.310 6.949 0.329 1.00 0.00 C ATOM 98 CD1 LEU A 7 9.637 8.253 0.759 1.00 0.00 C ATOM 99 CD2 LEU A 7 11.471 6.641 1.276 1.00 0.00 C ATOM 0 H LEU A 7 11.214 4.795 -0.688 1.00 0.00 H new ATOM 0 HA LEU A 7 8.511 4.302 -0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 7 8.330 6.186 0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.617 5.053 1.098 1.00 0.00 H new ATOM 0 HG LEU A 7 10.687 7.050 -0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 7 10.361 9.066 0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.808 8.473 0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.262 8.150 1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 7 12.198 7.452 1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 7 11.094 6.541 2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 7 11.950 5.710 0.973 1.00 0.00 H new ATOM 111 N PRO A 8 7.669 5.674 -2.861 1.00 0.00 N ATOM 112 CA PRO A 8 6.971 6.536 -3.845 1.00 0.00 C ATOM 113 C PRO A 8 5.989 7.472 -3.134 1.00 0.00 C ATOM 114 O PRO A 8 5.793 8.603 -3.533 1.00 0.00 O ATOM 115 CB PRO A 8 6.226 5.519 -4.716 1.00 0.00 C ATOM 116 CG PRO A 8 6.524 4.102 -4.189 1.00 0.00 C ATOM 117 CD PRO A 8 7.409 4.216 -2.942 1.00 0.00 C ATOM 0 HA PRO A 8 7.640 7.182 -4.415 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.154 5.714 -4.690 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.541 5.609 -5.755 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.595 3.586 -3.947 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.026 3.512 -4.956 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.903 3.844 -2.051 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.332 3.645 -3.046 1.00 0.00 H new ATOM 125 N VAL A 9 5.367 7.006 -2.086 1.00 0.00 N ATOM 126 CA VAL A 9 4.391 7.864 -1.351 1.00 0.00 C ATOM 127 C VAL A 9 4.929 8.200 0.045 1.00 0.00 C ATOM 128 O VAL A 9 5.957 7.704 0.460 1.00 0.00 O ATOM 129 CB VAL A 9 3.120 7.016 -1.244 1.00 0.00 C ATOM 130 CG1 VAL A 9 1.931 7.919 -0.916 1.00 0.00 C ATOM 131 CG2 VAL A 9 2.862 6.304 -2.575 1.00 0.00 C ATOM 0 H VAL A 9 5.492 6.068 -1.706 1.00 0.00 H new ATOM 0 HA VAL A 9 4.209 8.811 -1.859 1.00 0.00 H new ATOM 0 HB VAL A 9 3.247 6.275 -0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.026 7.316 -0.840 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.110 8.426 0.032 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.808 8.660 -1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.957 5.701 -2.496 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.737 7.044 -3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.708 5.659 -2.812 1.00 0.00 H new ATOM 141 N LYS A 10 4.239 9.038 0.772 1.00 0.00 N ATOM 142 CA LYS A 10 4.712 9.400 2.140 1.00 0.00 C ATOM 143 C LYS A 10 3.689 8.950 3.185 1.00 0.00 C ATOM 144 O LYS A 10 3.762 9.319 4.341 1.00 0.00 O ATOM 145 CB LYS A 10 4.836 10.923 2.131 1.00 0.00 C ATOM 146 CG LYS A 10 6.157 11.328 2.786 1.00 0.00 C ATOM 147 CD LYS A 10 6.427 12.809 2.519 1.00 0.00 C ATOM 148 CE LYS A 10 7.468 13.326 3.513 1.00 0.00 C ATOM 149 NZ LYS A 10 8.279 14.309 2.744 1.00 0.00 N ATOM 0 H LYS A 10 3.371 9.486 0.479 1.00 0.00 H new ATOM 0 HA LYS A 10 5.658 8.919 2.391 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.795 11.296 1.108 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.999 11.370 2.667 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.114 11.143 3.859 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.972 10.722 2.390 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.784 12.946 1.498 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.504 13.381 2.613 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.993 13.795 4.375 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.088 12.514 3.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.016 14.708 3.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.725 13.833 1.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.663 15.074 2.400 1.00 0.00 H new ATOM 163 N LYS A 11 2.740 8.149 2.789 1.00 0.00 N ATOM 164 CA LYS A 11 1.714 7.667 3.759 1.00 0.00 C ATOM 165 C LYS A 11 1.044 6.401 3.217 1.00 0.00 C ATOM 166 O LYS A 11 -0.158 6.243 3.290 1.00 0.00 O ATOM 167 CB LYS A 11 0.700 8.807 3.870 1.00 0.00 C ATOM 168 CG LYS A 11 -0.137 8.871 2.590 1.00 0.00 C ATOM 169 CD LYS A 11 -0.576 10.315 2.335 1.00 0.00 C ATOM 170 CE LYS A 11 -0.161 10.731 0.922 1.00 0.00 C ATOM 171 NZ LYS A 11 0.197 12.173 1.037 1.00 0.00 N ATOM 0 H LYS A 11 2.629 7.806 1.835 1.00 0.00 H new ATOM 0 HA LYS A 11 2.144 7.415 4.729 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.053 8.650 4.733 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.217 9.754 4.027 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.444 8.502 1.745 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.011 8.226 2.682 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.656 10.404 2.449 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.122 10.980 3.070 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.685 10.141 0.569 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.974 10.581 0.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.493 12.532 0.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.629 12.710 1.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.978 12.284 1.715 1.00 0.00 H new ATOM 185 N ALA A 12 1.816 5.501 2.669 1.00 0.00 N ATOM 186 CA ALA A 12 1.225 4.249 2.116 1.00 0.00 C ATOM 187 C ALA A 12 1.164 3.166 3.196 1.00 0.00 C ATOM 188 O ALA A 12 1.894 3.200 4.166 1.00 0.00 O ATOM 189 CB ALA A 12 2.172 3.831 0.992 1.00 0.00 C ATOM 0 H ALA A 12 2.829 5.579 2.581 1.00 0.00 H new ATOM 0 HA ALA A 12 0.205 4.397 1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.807 2.913 0.531 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.218 4.621 0.242 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.168 3.660 1.400 1.00 0.00 H new ATOM 195 N THR A 13 0.301 2.203 3.030 1.00 0.00 N ATOM 196 CA THR A 13 0.191 1.112 4.041 1.00 0.00 C ATOM 197 C THR A 13 0.151 -0.247 3.336 1.00 0.00 C ATOM 198 O THR A 13 -0.719 -0.513 2.531 1.00 0.00 O ATOM 199 CB THR A 13 -1.126 1.377 4.772 1.00 0.00 C ATOM 200 OG1 THR A 13 -1.372 2.776 4.807 1.00 0.00 O ATOM 201 CG2 THR A 13 -1.036 0.838 6.201 1.00 0.00 C ATOM 0 H THR A 13 -0.335 2.123 2.236 1.00 0.00 H new ATOM 0 HA THR A 13 1.037 1.094 4.728 1.00 0.00 H new ATOM 0 HB THR A 13 -1.940 0.877 4.248 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.216 2.948 5.274 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.975 1.027 6.721 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.846 -0.235 6.174 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.223 1.337 6.728 1.00 0.00 H new ATOM 209 N VAL A 14 1.088 -1.106 3.628 1.00 0.00 N ATOM 210 CA VAL A 14 1.098 -2.442 2.968 1.00 0.00 C ATOM 211 C VAL A 14 1.273 -3.548 4.009 1.00 0.00 C ATOM 212 O VAL A 14 1.493 -3.289 5.175 1.00 0.00 O ATOM 213 CB VAL A 14 2.293 -2.409 2.015 1.00 0.00 C ATOM 214 CG1 VAL A 14 1.946 -1.565 0.788 1.00 0.00 C ATOM 215 CG2 VAL A 14 3.501 -1.799 2.729 1.00 0.00 C ATOM 0 H VAL A 14 1.844 -0.942 4.292 1.00 0.00 H new ATOM 0 HA VAL A 14 0.165 -2.646 2.443 1.00 0.00 H new ATOM 0 HB VAL A 14 2.533 -3.425 1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.799 -1.542 0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.087 -2.001 0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.704 -0.549 1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.352 -1.776 2.049 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.262 -0.784 3.046 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.750 -2.402 3.602 1.00 0.00 H new ATOM 225 N VAL A 15 1.178 -4.780 3.594 1.00 0.00 N ATOM 226 CA VAL A 15 1.339 -5.905 4.557 1.00 0.00 C ATOM 227 C VAL A 15 2.637 -6.666 4.269 1.00 0.00 C ATOM 228 O VAL A 15 2.674 -7.560 3.447 1.00 0.00 O ATOM 229 CB VAL A 15 0.126 -6.804 4.318 1.00 0.00 C ATOM 230 CG1 VAL A 15 0.164 -7.979 5.295 1.00 0.00 C ATOM 231 CG2 VAL A 15 -1.154 -5.996 4.540 1.00 0.00 C ATOM 0 H VAL A 15 0.996 -5.057 2.629 1.00 0.00 H new ATOM 0 HA VAL A 15 1.396 -5.561 5.590 1.00 0.00 H new ATOM 0 HB VAL A 15 0.146 -7.182 3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.700 -8.621 5.126 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.078 -8.552 5.139 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.142 -7.603 6.318 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.021 -6.634 4.370 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.174 -5.621 5.563 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.180 -5.157 3.845 1.00 0.00 H new ATOM 241 N TYR A 16 3.700 -6.317 4.939 1.00 0.00 N ATOM 242 CA TYR A 16 4.994 -7.019 4.704 1.00 0.00 C ATOM 243 C TYR A 16 5.127 -8.211 5.656 1.00 0.00 C ATOM 244 O TYR A 16 5.122 -8.059 6.861 1.00 0.00 O ATOM 245 CB TYR A 16 6.069 -5.974 4.999 1.00 0.00 C ATOM 246 CG TYR A 16 7.412 -6.483 4.528 1.00 0.00 C ATOM 247 CD1 TYR A 16 7.548 -7.012 3.240 1.00 0.00 C ATOM 248 CD2 TYR A 16 8.520 -6.424 5.382 1.00 0.00 C ATOM 249 CE1 TYR A 16 8.793 -7.484 2.804 1.00 0.00 C ATOM 250 CE2 TYR A 16 9.765 -6.895 4.947 1.00 0.00 C ATOM 251 CZ TYR A 16 9.901 -7.425 3.659 1.00 0.00 C ATOM 252 OH TYR A 16 11.128 -7.889 3.231 1.00 0.00 O ATOM 0 H TYR A 16 3.729 -5.576 5.639 1.00 0.00 H new ATOM 0 HA TYR A 16 5.075 -7.411 3.690 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.827 -5.037 4.497 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.103 -5.764 6.068 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.693 -7.057 2.582 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.414 -6.015 6.376 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.898 -7.893 1.810 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.620 -6.849 5.605 1.00 0.00 H new ATOM 0 HH TYR A 16 11.789 -7.774 3.946 1.00 0.00 H new ATOM 262 N GLN A 17 5.245 -9.397 5.124 1.00 0.00 N ATOM 263 CA GLN A 17 5.380 -10.598 5.998 1.00 0.00 C ATOM 264 C GLN A 17 4.190 -10.703 6.957 1.00 0.00 C ATOM 265 O GLN A 17 4.338 -11.067 8.106 1.00 0.00 O ATOM 266 CB GLN A 17 6.675 -10.375 6.777 1.00 0.00 C ATOM 267 CG GLN A 17 7.810 -10.063 5.800 1.00 0.00 C ATOM 268 CD GLN A 17 8.938 -11.080 5.987 1.00 0.00 C ATOM 269 OE1 GLN A 17 8.830 -12.211 5.554 1.00 0.00 O ATOM 270 NE2 GLN A 17 10.022 -10.724 6.618 1.00 0.00 N ATOM 0 H GLN A 17 5.254 -9.587 4.122 1.00 0.00 H new ATOM 0 HA GLN A 17 5.401 -11.523 5.422 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.551 -9.553 7.482 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.918 -11.262 7.362 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.441 -10.097 4.775 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.184 -9.054 5.971 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.112 -9.775 6.981 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.780 -11.394 6.748 1.00 0.00 H new ATOM 279 N GLY A 18 3.010 -10.390 6.494 1.00 0.00 N ATOM 280 CA GLY A 18 1.815 -10.478 7.382 1.00 0.00 C ATOM 281 C GLY A 18 1.875 -9.372 8.438 1.00 0.00 C ATOM 282 O GLY A 18 1.353 -9.513 9.526 1.00 0.00 O ATOM 0 H GLY A 18 2.822 -10.078 5.541 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.904 -10.382 6.792 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.780 -11.454 7.865 1.00 0.00 H new ATOM 286 N GLU A 19 2.506 -8.273 8.128 1.00 0.00 N ATOM 287 CA GLU A 19 2.596 -7.161 9.119 1.00 0.00 C ATOM 288 C GLU A 19 2.254 -5.828 8.447 1.00 0.00 C ATOM 289 O GLU A 19 2.850 -5.449 7.458 1.00 0.00 O ATOM 290 CB GLU A 19 4.049 -7.166 9.596 1.00 0.00 C ATOM 291 CG GLU A 19 4.315 -8.433 10.411 1.00 0.00 C ATOM 292 CD GLU A 19 5.326 -8.127 11.517 1.00 0.00 C ATOM 293 OE1 GLU A 19 4.913 -7.615 12.545 1.00 0.00 O ATOM 294 OE2 GLU A 19 6.496 -8.410 11.319 1.00 0.00 O ATOM 0 H GLU A 19 2.963 -8.096 7.233 1.00 0.00 H new ATOM 0 HA GLU A 19 1.898 -7.289 9.947 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.724 -7.123 8.741 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.247 -6.282 10.203 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.385 -8.800 10.845 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.697 -9.221 9.763 1.00 0.00 H new ATOM 301 N ARG A 20 1.300 -5.114 8.977 1.00 0.00 N ATOM 302 CA ARG A 20 0.918 -3.808 8.368 1.00 0.00 C ATOM 303 C ARG A 20 1.894 -2.712 8.805 1.00 0.00 C ATOM 304 O ARG A 20 2.234 -2.595 9.965 1.00 0.00 O ATOM 305 CB ARG A 20 -0.485 -3.521 8.899 1.00 0.00 C ATOM 306 CG ARG A 20 -1.515 -4.198 7.992 1.00 0.00 C ATOM 307 CD ARG A 20 -2.902 -4.109 8.634 1.00 0.00 C ATOM 308 NE ARG A 20 -3.045 -5.373 9.407 1.00 0.00 N ATOM 309 CZ ARG A 20 -2.557 -5.458 10.614 1.00 0.00 C ATOM 310 NH1 ARG A 20 -2.956 -4.629 11.539 1.00 0.00 N ATOM 311 NH2 ARG A 20 -1.668 -6.372 10.895 1.00 0.00 N ATOM 0 H ARG A 20 0.768 -5.378 9.806 1.00 0.00 H new ATOM 0 HA ARG A 20 0.944 -3.837 7.279 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.583 -3.891 9.920 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.662 -2.446 8.931 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.525 -3.717 7.014 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.244 -5.241 7.832 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.982 -3.237 9.283 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.682 -4.017 7.879 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.524 -6.173 8.993 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.650 -3.914 11.319 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.574 -4.696 12.483 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.355 -7.019 10.171 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.286 -6.439 11.838 1.00 0.00 H new ATOM 325 N VAL A 21 2.345 -1.909 7.881 1.00 0.00 N ATOM 326 CA VAL A 21 3.297 -0.819 8.237 1.00 0.00 C ATOM 327 C VAL A 21 3.183 0.328 7.229 1.00 0.00 C ATOM 328 O VAL A 21 2.694 0.154 6.131 1.00 0.00 O ATOM 329 CB VAL A 21 4.680 -1.466 8.163 1.00 0.00 C ATOM 330 CG1 VAL A 21 4.739 -2.654 9.123 1.00 0.00 C ATOM 331 CG2 VAL A 21 4.937 -1.954 6.735 1.00 0.00 C ATOM 0 H VAL A 21 2.095 -1.961 6.893 1.00 0.00 H new ATOM 0 HA VAL A 21 3.098 -0.397 9.222 1.00 0.00 H new ATOM 0 HB VAL A 21 5.439 -0.735 8.442 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.725 -3.116 9.070 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.553 -2.309 10.140 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.981 -3.385 8.844 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.923 -2.416 6.680 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.178 -2.686 6.458 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.894 -1.109 6.048 1.00 0.00 H new ATOM 341 N LYS A 22 3.628 1.499 7.594 1.00 0.00 N ATOM 342 CA LYS A 22 3.541 2.653 6.654 1.00 0.00 C ATOM 343 C LYS A 22 4.854 2.810 5.885 1.00 0.00 C ATOM 344 O LYS A 22 5.881 3.128 6.450 1.00 0.00 O ATOM 345 CB LYS A 22 3.288 3.871 7.543 1.00 0.00 C ATOM 346 CG LYS A 22 1.786 4.020 7.788 1.00 0.00 C ATOM 347 CD LYS A 22 1.178 4.927 6.716 1.00 0.00 C ATOM 348 CE LYS A 22 -0.149 5.498 7.222 1.00 0.00 C ATOM 349 NZ LYS A 22 -0.699 6.272 6.075 1.00 0.00 N ATOM 0 H LYS A 22 4.047 1.707 8.500 1.00 0.00 H new ATOM 0 HA LYS A 22 2.754 2.522 5.911 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.813 3.757 8.492 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.681 4.770 7.067 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.305 3.042 7.767 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.609 4.441 8.778 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.867 5.737 6.477 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.017 4.364 5.797 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.831 4.703 7.525 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.003 6.136 8.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.738 6.247 6.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.375 7.258 6.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.369 5.852 5.183 1.00 0.00 H new ATOM 363 N ILE A 23 4.828 2.589 4.600 1.00 0.00 N ATOM 364 CA ILE A 23 6.075 2.725 3.794 1.00 0.00 C ATOM 365 C ILE A 23 6.794 4.032 4.139 1.00 0.00 C ATOM 366 O ILE A 23 7.984 4.169 3.934 1.00 0.00 O ATOM 367 CB ILE A 23 5.601 2.742 2.340 1.00 0.00 C ATOM 368 CG1 ILE A 23 6.814 2.705 1.407 1.00 0.00 C ATOM 369 CG2 ILE A 23 4.800 4.018 2.078 1.00 0.00 C ATOM 370 CD1 ILE A 23 6.338 2.705 -0.046 1.00 0.00 C ATOM 0 H ILE A 23 3.997 2.320 4.073 1.00 0.00 H new ATOM 0 HA ILE A 23 6.781 1.918 3.987 1.00 0.00 H new ATOM 0 HB ILE A 23 4.971 1.872 2.155 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.455 3.567 1.591 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.412 1.816 1.605 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.463 4.029 1.042 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.936 4.048 2.741 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.430 4.888 2.264 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.201 2.679 -0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.715 1.829 -0.225 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.758 3.608 -0.239 1.00 0.00 H new ATOM 382 N GLN A 24 6.083 4.996 4.658 1.00 0.00 N ATOM 383 CA GLN A 24 6.728 6.292 5.010 1.00 0.00 C ATOM 384 C GLN A 24 7.412 6.199 6.378 1.00 0.00 C ATOM 385 O GLN A 24 8.080 7.117 6.811 1.00 0.00 O ATOM 386 CB GLN A 24 5.583 7.303 5.055 1.00 0.00 C ATOM 387 CG GLN A 24 4.570 6.882 6.122 1.00 0.00 C ATOM 388 CD GLN A 24 4.232 8.081 7.009 1.00 0.00 C ATOM 389 OE1 GLN A 24 4.965 9.050 7.046 1.00 0.00 O ATOM 390 NE2 GLN A 24 3.144 8.058 7.729 1.00 0.00 N ATOM 0 H GLN A 24 5.083 4.942 4.853 1.00 0.00 H new ATOM 0 HA GLN A 24 7.498 6.574 4.292 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.970 8.297 5.279 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.097 7.362 4.081 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.665 6.500 5.649 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.979 6.073 6.727 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.529 7.245 7.698 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.909 8.853 8.323 1.00 0.00 H new ATOM 399 N GLU A 25 7.252 5.099 7.061 1.00 0.00 N ATOM 400 CA GLU A 25 7.894 4.957 8.399 1.00 0.00 C ATOM 401 C GLU A 25 8.703 3.660 8.465 1.00 0.00 C ATOM 402 O GLU A 25 9.789 3.620 9.009 1.00 0.00 O ATOM 403 CB GLU A 25 6.734 4.919 9.394 1.00 0.00 C ATOM 404 CG GLU A 25 6.140 6.322 9.537 1.00 0.00 C ATOM 405 CD GLU A 25 5.124 6.333 10.681 1.00 0.00 C ATOM 406 OE1 GLU A 25 4.652 5.267 11.040 1.00 0.00 O ATOM 407 OE2 GLU A 25 4.834 7.410 11.177 1.00 0.00 O ATOM 0 H GLU A 25 6.706 4.295 6.752 1.00 0.00 H new ATOM 0 HA GLU A 25 8.586 5.771 8.612 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.969 4.222 9.051 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.083 4.559 10.362 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.932 7.045 9.733 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.658 6.621 8.606 1.00 0.00 H new ATOM 414 N LYS A 26 8.183 2.598 7.914 1.00 0.00 N ATOM 415 CA LYS A 26 8.925 1.307 7.944 1.00 0.00 C ATOM 416 C LYS A 26 10.004 1.300 6.857 1.00 0.00 C ATOM 417 O LYS A 26 11.098 0.811 7.058 1.00 0.00 O ATOM 418 CB LYS A 26 7.869 0.237 7.661 1.00 0.00 C ATOM 419 CG LYS A 26 8.256 -1.062 8.370 1.00 0.00 C ATOM 420 CD LYS A 26 9.433 -1.712 7.641 1.00 0.00 C ATOM 421 CE LYS A 26 9.828 -3.004 8.359 1.00 0.00 C ATOM 422 NZ LYS A 26 9.373 -4.099 7.459 1.00 0.00 N ATOM 0 H LYS A 26 7.278 2.569 7.445 1.00 0.00 H new ATOM 0 HA LYS A 26 9.429 1.138 8.896 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.892 0.575 8.006 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.787 0.067 6.587 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.525 -0.857 9.406 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.406 -1.744 8.391 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.161 -1.926 6.608 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.280 -1.026 7.612 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.904 -3.050 8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.352 -3.073 9.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.609 -5.018 7.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.344 -4.033 7.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.848 -4.011 6.538 1.00 0.00 H new ATOM 436 N PHE A 27 9.706 1.844 5.710 1.00 0.00 N ATOM 437 CA PHE A 27 10.714 1.872 4.612 1.00 0.00 C ATOM 438 C PHE A 27 11.289 3.284 4.459 1.00 0.00 C ATOM 439 O PHE A 27 11.524 3.753 3.364 1.00 0.00 O ATOM 440 CB PHE A 27 9.942 1.472 3.355 1.00 0.00 C ATOM 441 CG PHE A 27 9.578 0.008 3.428 1.00 0.00 C ATOM 442 CD1 PHE A 27 10.551 -0.940 3.769 1.00 0.00 C ATOM 443 CD2 PHE A 27 8.269 -0.404 3.152 1.00 0.00 C ATOM 444 CE1 PHE A 27 10.214 -2.298 3.834 1.00 0.00 C ATOM 445 CE2 PHE A 27 7.932 -1.761 3.218 1.00 0.00 C ATOM 446 CZ PHE A 27 8.904 -2.708 3.558 1.00 0.00 C ATOM 0 H PHE A 27 8.807 2.271 5.485 1.00 0.00 H new ATOM 0 HA PHE A 27 11.554 1.204 4.805 1.00 0.00 H new ATOM 0 HB2 PHE A 27 9.040 2.077 3.262 1.00 0.00 H new ATOM 0 HB3 PHE A 27 10.547 1.663 2.468 1.00 0.00 H new ATOM 0 HD1 PHE A 27 11.561 -0.624 3.982 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.518 0.326 2.888 1.00 0.00 H new ATOM 0 HE1 PHE A 27 10.965 -3.029 4.097 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.921 -2.077 3.006 1.00 0.00 H new ATOM 0 HZ PHE A 27 8.644 -3.755 3.608 1.00 0.00 H new ATOM 456 N LYS A 28 11.515 3.963 5.550 1.00 0.00 N ATOM 457 CA LYS A 28 12.071 5.345 5.470 1.00 0.00 C ATOM 458 C LYS A 28 13.213 5.406 4.452 1.00 0.00 C ATOM 459 O LYS A 28 13.323 6.342 3.684 1.00 0.00 O ATOM 460 CB LYS A 28 12.592 5.641 6.876 1.00 0.00 C ATOM 461 CG LYS A 28 11.786 6.788 7.487 1.00 0.00 C ATOM 462 CD LYS A 28 11.424 6.440 8.931 1.00 0.00 C ATOM 463 CE LYS A 28 11.866 7.574 9.856 1.00 0.00 C ATOM 464 NZ LYS A 28 10.861 7.587 10.955 1.00 0.00 N ATOM 0 H LYS A 28 11.339 3.621 6.495 1.00 0.00 H new ATOM 0 HA LYS A 28 11.324 6.070 5.147 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.510 4.751 7.501 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.649 5.906 6.836 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.366 7.711 7.458 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.881 6.962 6.905 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.349 6.282 9.020 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.908 5.508 9.224 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.871 7.400 10.242 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.887 8.528 9.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.097 8.340 11.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.915 7.761 10.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.868 6.669 11.443 1.00 0.00 H new ATOM 478 N ASN A 29 14.069 4.419 4.440 1.00 0.00 N ATOM 479 CA ASN A 29 15.203 4.429 3.470 1.00 0.00 C ATOM 480 C ASN A 29 14.883 3.529 2.273 1.00 0.00 C ATOM 481 O ASN A 29 15.633 2.633 1.941 1.00 0.00 O ATOM 482 CB ASN A 29 16.398 3.880 4.248 1.00 0.00 C ATOM 483 CG ASN A 29 16.543 4.638 5.570 1.00 0.00 C ATOM 484 OD1 ASN A 29 16.782 4.042 6.601 1.00 0.00 O ATOM 485 ND2 ASN A 29 16.408 5.937 5.584 1.00 0.00 N ATOM 0 H ASN A 29 14.032 3.608 5.058 1.00 0.00 H new ATOM 0 HA ASN A 29 15.398 5.426 3.075 1.00 0.00 H new ATOM 0 HB2 ASN A 29 16.261 2.816 4.441 1.00 0.00 H new ATOM 0 HB3 ASN A 29 17.308 3.983 3.657 1.00 0.00 H new ATOM 0 HD21 ASN A 29 16.503 6.450 6.460 1.00 0.00 H new ATOM 0 HD22 ASN A 29 16.207 6.438 4.719 1.00 0.00 H new ATOM 492 N GLY A 30 13.777 3.763 1.621 1.00 0.00 N ATOM 493 CA GLY A 30 13.412 2.923 0.445 1.00 0.00 C ATOM 494 C GLY A 30 13.083 1.503 0.907 1.00 0.00 C ATOM 495 O GLY A 30 13.174 1.182 2.075 1.00 0.00 O ATOM 0 H GLY A 30 13.110 4.500 1.852 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.555 3.356 -0.071 1.00 0.00 H new ATOM 0 HA3 GLY A 30 14.236 2.902 -0.268 1.00 0.00 H new ATOM 499 N MET A 31 12.699 0.651 -0.004 1.00 0.00 N ATOM 500 CA MET A 31 12.362 -0.750 0.378 1.00 0.00 C ATOM 501 C MET A 31 13.491 -1.696 -0.038 1.00 0.00 C ATOM 502 O MET A 31 14.370 -1.335 -0.796 1.00 0.00 O ATOM 503 CB MET A 31 11.081 -1.074 -0.395 1.00 0.00 C ATOM 504 CG MET A 31 9.992 -0.065 -0.026 1.00 0.00 C ATOM 505 SD MET A 31 8.572 -0.280 -1.128 1.00 0.00 S ATOM 506 CE MET A 31 8.006 -1.865 -0.463 1.00 0.00 C ATOM 0 H MET A 31 12.604 0.865 -0.997 1.00 0.00 H new ATOM 0 HA MET A 31 12.230 -0.865 1.454 1.00 0.00 H new ATOM 0 HB2 MET A 31 11.273 -1.042 -1.467 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.749 -2.085 -0.161 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.686 -0.207 1.011 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.379 0.951 -0.108 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.157 -2.647 -1.207 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.573 -2.106 0.436 1.00 0.00 H new ATOM 0 HE3 MET A 31 6.946 -1.799 -0.217 1.00 0.00 H new ATOM 516 N LEU A 32 13.476 -2.907 0.451 1.00 0.00 N ATOM 517 CA LEU A 32 14.550 -3.872 0.079 1.00 0.00 C ATOM 518 C LEU A 32 14.262 -4.479 -1.296 1.00 0.00 C ATOM 519 O LEU A 32 13.126 -4.573 -1.718 1.00 0.00 O ATOM 520 CB LEU A 32 14.505 -4.950 1.160 1.00 0.00 C ATOM 521 CG LEU A 32 14.617 -4.298 2.540 1.00 0.00 C ATOM 522 CD1 LEU A 32 14.224 -5.309 3.617 1.00 0.00 C ATOM 523 CD2 LEU A 32 16.059 -3.841 2.774 1.00 0.00 C ATOM 0 H LEU A 32 12.768 -3.269 1.090 1.00 0.00 H new ATOM 0 HA LEU A 32 15.529 -3.397 0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.575 -5.514 1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.320 -5.659 1.015 1.00 0.00 H new ATOM 0 HG LEU A 32 13.950 -3.438 2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 32 14.304 -4.844 4.599 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.197 -5.635 3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 32 14.890 -6.170 3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 32 16.139 -3.377 3.757 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.726 -4.702 2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 32 16.341 -3.119 2.008 1.00 0.00 H new ATOM 535 N HIS A 33 15.281 -4.888 -2.001 1.00 0.00 N ATOM 536 CA HIS A 33 15.060 -5.486 -3.350 1.00 0.00 C ATOM 537 C HIS A 33 14.265 -6.789 -3.230 1.00 0.00 C ATOM 538 O HIS A 33 14.446 -7.555 -2.306 1.00 0.00 O ATOM 539 CB HIS A 33 16.460 -5.760 -3.898 1.00 0.00 C ATOM 540 CG HIS A 33 16.351 -6.552 -5.171 1.00 0.00 C ATOM 541 ND1 HIS A 33 16.111 -5.951 -6.397 1.00 0.00 N ATOM 542 CD2 HIS A 33 16.445 -7.898 -5.426 1.00 0.00 C ATOM 543 CE1 HIS A 33 16.068 -6.925 -7.325 1.00 0.00 C ATOM 544 NE2 HIS A 33 16.267 -8.132 -6.786 1.00 0.00 N ATOM 0 H HIS A 33 16.255 -4.835 -1.703 1.00 0.00 H new ATOM 0 HA HIS A 33 14.489 -4.826 -4.004 1.00 0.00 H new ATOM 0 HB2 HIS A 33 16.980 -4.820 -4.085 1.00 0.00 H new ATOM 0 HB3 HIS A 33 17.049 -6.310 -3.164 1.00 0.00 H new ATOM 0 HD2 HIS A 33 16.629 -8.660 -4.683 1.00 0.00 H new ATOM 0 HE1 HIS A 33 15.894 -6.752 -8.377 1.00 0.00 H new ATOM 0 HE2 HIS A 33 16.285 -9.031 -7.268 1.00 0.00 H new ATOM 552 N GLY A 34 13.385 -7.044 -4.160 1.00 0.00 N ATOM 553 CA GLY A 34 12.580 -8.297 -4.101 1.00 0.00 C ATOM 554 C GLY A 34 11.611 -8.228 -2.918 1.00 0.00 C ATOM 555 O GLY A 34 11.010 -9.212 -2.538 1.00 0.00 O ATOM 0 H GLY A 34 13.189 -6.439 -4.958 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.026 -8.430 -5.031 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.238 -9.160 -3.996 1.00 0.00 H new ATOM 559 N ASP A 35 11.455 -7.072 -2.333 1.00 0.00 N ATOM 560 CA ASP A 35 10.524 -6.942 -1.176 1.00 0.00 C ATOM 561 C ASP A 35 9.072 -7.031 -1.652 1.00 0.00 C ATOM 562 O ASP A 35 8.627 -6.247 -2.468 1.00 0.00 O ATOM 563 CB ASP A 35 10.813 -5.561 -0.587 1.00 0.00 C ATOM 564 CG ASP A 35 9.896 -5.314 0.612 1.00 0.00 C ATOM 565 OD1 ASP A 35 8.840 -5.923 0.659 1.00 0.00 O ATOM 566 OD2 ASP A 35 10.264 -4.521 1.462 1.00 0.00 O ATOM 0 H ASP A 35 11.932 -6.212 -2.606 1.00 0.00 H new ATOM 0 HA ASP A 35 10.665 -7.735 -0.442 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.857 -5.497 -0.279 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.656 -4.792 -1.343 1.00 0.00 H new ATOM 571 N LYS A 36 8.328 -7.977 -1.148 1.00 0.00 N ATOM 572 CA LYS A 36 6.905 -8.111 -1.575 1.00 0.00 C ATOM 573 C LYS A 36 5.976 -7.484 -0.533 1.00 0.00 C ATOM 574 O LYS A 36 6.029 -7.805 0.637 1.00 0.00 O ATOM 575 CB LYS A 36 6.655 -9.615 -1.674 1.00 0.00 C ATOM 576 CG LYS A 36 6.890 -10.079 -3.112 1.00 0.00 C ATOM 577 CD LYS A 36 6.029 -11.311 -3.398 1.00 0.00 C ATOM 578 CE LYS A 36 5.293 -11.123 -4.728 1.00 0.00 C ATOM 579 NZ LYS A 36 4.383 -12.298 -4.835 1.00 0.00 N ATOM 0 H LYS A 36 8.642 -8.662 -0.461 1.00 0.00 H new ATOM 0 HA LYS A 36 6.713 -7.603 -2.520 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.319 -10.150 -0.995 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.634 -9.845 -1.369 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.641 -9.279 -3.809 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.943 -10.316 -3.261 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.654 -12.203 -3.439 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.312 -11.462 -2.591 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.733 -10.188 -4.740 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.992 -11.087 -5.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.844 -12.240 -5.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.944 -13.174 -4.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.725 -12.302 -4.030 1.00 0.00 H new ATOM 593 N VAL A 37 5.124 -6.596 -0.957 1.00 0.00 N ATOM 594 CA VAL A 37 4.181 -5.943 -0.005 1.00 0.00 C ATOM 595 C VAL A 37 2.782 -5.885 -0.626 1.00 0.00 C ATOM 596 O VAL A 37 2.630 -5.666 -1.811 1.00 0.00 O ATOM 597 CB VAL A 37 4.733 -4.532 0.204 1.00 0.00 C ATOM 598 CG1 VAL A 37 6.216 -4.610 0.575 1.00 0.00 C ATOM 599 CG2 VAL A 37 4.574 -3.725 -1.086 1.00 0.00 C ATOM 0 H VAL A 37 5.038 -6.292 -1.927 1.00 0.00 H new ATOM 0 HA VAL A 37 4.098 -6.485 0.937 1.00 0.00 H new ATOM 0 HB VAL A 37 4.183 -4.045 1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.607 -3.604 0.723 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.331 -5.183 1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.767 -5.099 -0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.967 -2.719 -0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.123 -4.214 -1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.518 -3.666 -1.350 1.00 0.00 H new ATOM 609 N SER A 38 1.761 -6.084 0.158 1.00 0.00 N ATOM 610 CA SER A 38 0.382 -6.045 -0.401 1.00 0.00 C ATOM 611 C SER A 38 -0.309 -4.731 -0.030 1.00 0.00 C ATOM 612 O SER A 38 -0.206 -4.257 1.084 1.00 0.00 O ATOM 613 CB SER A 38 -0.337 -7.228 0.243 1.00 0.00 C ATOM 614 OG SER A 38 0.625 -8.182 0.675 1.00 0.00 O ATOM 0 H SER A 38 1.821 -6.271 1.159 1.00 0.00 H new ATOM 0 HA SER A 38 0.378 -6.105 -1.489 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.935 -6.889 1.089 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.024 -7.684 -0.471 1.00 0.00 H new ATOM 0 HG SER A 38 0.613 -8.954 0.072 1.00 0.00 H new ATOM 620 N PHE A 39 -1.018 -4.144 -0.954 1.00 0.00 N ATOM 621 CA PHE A 39 -1.722 -2.864 -0.653 1.00 0.00 C ATOM 622 C PHE A 39 -3.195 -3.149 -0.350 1.00 0.00 C ATOM 623 O PHE A 39 -3.789 -4.049 -0.909 1.00 0.00 O ATOM 624 CB PHE A 39 -1.583 -2.022 -1.920 1.00 0.00 C ATOM 625 CG PHE A 39 -0.200 -1.416 -1.973 1.00 0.00 C ATOM 626 CD1 PHE A 39 0.072 -0.230 -1.281 1.00 0.00 C ATOM 627 CD2 PHE A 39 0.809 -2.040 -2.715 1.00 0.00 C ATOM 628 CE1 PHE A 39 1.354 0.331 -1.329 1.00 0.00 C ATOM 629 CE2 PHE A 39 2.091 -1.480 -2.764 1.00 0.00 C ATOM 630 CZ PHE A 39 2.363 -0.294 -2.071 1.00 0.00 C ATOM 0 H PHE A 39 -1.141 -4.494 -1.904 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.306 -2.351 0.214 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.755 -2.640 -2.801 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.337 -1.235 -1.931 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.707 0.253 -0.710 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.599 -2.954 -3.250 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.564 1.245 -0.794 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.870 -1.962 -3.336 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.352 0.139 -2.109 1.00 0.00 H new ATOM 640 N PHE A 40 -3.787 -2.400 0.537 1.00 0.00 N ATOM 641 CA PHE A 40 -5.217 -2.648 0.875 1.00 0.00 C ATOM 642 C PHE A 40 -6.138 -1.999 -0.161 1.00 0.00 C ATOM 643 O PHE A 40 -5.934 -0.874 -0.574 1.00 0.00 O ATOM 644 CB PHE A 40 -5.414 -2.005 2.247 1.00 0.00 C ATOM 645 CG PHE A 40 -5.055 -2.999 3.325 1.00 0.00 C ATOM 646 CD1 PHE A 40 -5.649 -4.268 3.333 1.00 0.00 C ATOM 647 CD2 PHE A 40 -4.128 -2.654 4.316 1.00 0.00 C ATOM 648 CE1 PHE A 40 -5.316 -5.190 4.333 1.00 0.00 C ATOM 649 CE2 PHE A 40 -3.796 -3.577 5.315 1.00 0.00 C ATOM 650 CZ PHE A 40 -4.389 -4.844 5.323 1.00 0.00 C ATOM 0 H PHE A 40 -3.346 -1.630 1.041 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.458 -3.711 0.881 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.791 -1.115 2.336 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.449 -1.683 2.364 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.363 -4.535 2.568 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.669 -1.676 4.310 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.774 -6.168 4.340 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -3.082 -3.311 6.080 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.131 -5.556 6.094 1.00 0.00 H new ATOM 660 N CYS A 41 -7.156 -2.703 -0.576 1.00 0.00 N ATOM 661 CA CYS A 41 -8.103 -2.137 -1.580 1.00 0.00 C ATOM 662 C CYS A 41 -9.539 -2.509 -1.199 1.00 0.00 C ATOM 663 O CYS A 41 -9.768 -3.236 -0.253 1.00 0.00 O ATOM 664 CB CYS A 41 -7.706 -2.780 -2.907 1.00 0.00 C ATOM 665 SG CYS A 41 -6.244 -1.940 -3.566 1.00 0.00 S ATOM 0 H CYS A 41 -7.374 -3.649 -0.262 1.00 0.00 H new ATOM 0 HA CYS A 41 -8.058 -1.049 -1.635 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.496 -3.840 -2.762 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.530 -2.712 -3.618 1.00 0.00 H new ATOM 0 HG CYS A 41 -5.692 -1.230 -2.628 1.00 0.00 H new ATOM 670 N LYS A 42 -10.511 -2.015 -1.915 1.00 0.00 N ATOM 671 CA LYS A 42 -11.924 -2.344 -1.570 1.00 0.00 C ATOM 672 C LYS A 42 -12.615 -3.076 -2.724 1.00 0.00 C ATOM 673 O LYS A 42 -12.313 -2.864 -3.882 1.00 0.00 O ATOM 674 CB LYS A 42 -12.592 -0.992 -1.327 1.00 0.00 C ATOM 675 CG LYS A 42 -12.353 -0.081 -2.532 1.00 0.00 C ATOM 676 CD LYS A 42 -11.316 0.984 -2.167 1.00 0.00 C ATOM 677 CE LYS A 42 -11.914 1.944 -1.135 1.00 0.00 C ATOM 678 NZ LYS A 42 -12.620 2.982 -1.938 1.00 0.00 N ATOM 0 H LYS A 42 -10.390 -1.401 -2.720 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.986 -3.003 -0.704 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.662 -1.127 -1.166 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.189 -0.532 -0.425 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.004 -0.668 -3.382 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.287 0.393 -2.834 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.420 0.512 -1.764 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.014 1.533 -3.059 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.602 1.426 -0.467 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.137 2.388 -0.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.057 3.677 -1.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.939 3.463 -2.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.358 2.531 -2.516 1.00 0.00 H new ATOM 692 N ASN A 43 -13.548 -3.933 -2.408 1.00 0.00 N ATOM 693 CA ASN A 43 -14.276 -4.682 -3.473 1.00 0.00 C ATOM 694 C ASN A 43 -15.776 -4.382 -3.388 1.00 0.00 C ATOM 695 O ASN A 43 -16.417 -4.654 -2.393 1.00 0.00 O ATOM 696 CB ASN A 43 -14.004 -6.157 -3.178 1.00 0.00 C ATOM 697 CG ASN A 43 -14.235 -6.981 -4.446 1.00 0.00 C ATOM 698 OD1 ASN A 43 -15.361 -7.203 -4.843 1.00 0.00 O ATOM 699 ND2 ASN A 43 -13.208 -7.447 -5.103 1.00 0.00 N ATOM 0 H ASN A 43 -13.839 -4.148 -1.454 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.950 -4.404 -4.475 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.980 -6.286 -2.829 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -14.659 -6.506 -2.380 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.351 -7.997 -5.950 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.262 -7.261 -4.770 1.00 0.00 H new ATOM 706 N LYS A 44 -16.337 -3.814 -4.420 1.00 0.00 N ATOM 707 CA LYS A 44 -17.792 -3.485 -4.394 1.00 0.00 C ATOM 708 C LYS A 44 -18.641 -4.756 -4.505 1.00 0.00 C ATOM 709 O LYS A 44 -19.642 -4.902 -3.834 1.00 0.00 O ATOM 710 CB LYS A 44 -18.012 -2.588 -5.612 1.00 0.00 C ATOM 711 CG LYS A 44 -18.721 -1.303 -5.179 1.00 0.00 C ATOM 712 CD LYS A 44 -17.874 -0.093 -5.580 1.00 0.00 C ATOM 713 CE LYS A 44 -17.753 0.862 -4.391 1.00 0.00 C ATOM 714 NZ LYS A 44 -18.091 2.204 -4.941 1.00 0.00 N ATOM 0 H LYS A 44 -15.851 -3.563 -5.281 1.00 0.00 H new ATOM 0 HA LYS A 44 -18.083 -2.999 -3.463 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -17.056 -2.349 -6.078 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -18.609 -3.111 -6.359 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -19.704 -1.243 -5.645 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -18.880 -1.308 -4.101 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.884 -0.419 -5.901 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -18.331 0.419 -6.427 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -18.434 0.581 -3.588 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.746 0.848 -3.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -18.030 2.915 -4.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.422 2.447 -5.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -19.058 2.189 -5.325 1.00 0.00 H new ATOM 728 N GLU A 45 -18.257 -5.672 -5.352 1.00 0.00 N ATOM 729 CA GLU A 45 -19.055 -6.924 -5.506 1.00 0.00 C ATOM 730 C GLU A 45 -19.082 -7.713 -4.192 1.00 0.00 C ATOM 731 O GLU A 45 -20.040 -8.398 -3.889 1.00 0.00 O ATOM 732 CB GLU A 45 -18.335 -7.723 -6.593 1.00 0.00 C ATOM 733 CG GLU A 45 -19.036 -9.071 -6.781 1.00 0.00 C ATOM 734 CD GLU A 45 -18.221 -9.945 -7.737 1.00 0.00 C ATOM 735 OE1 GLU A 45 -17.303 -10.599 -7.272 1.00 0.00 O ATOM 736 OE2 GLU A 45 -18.529 -9.945 -8.917 1.00 0.00 O ATOM 0 H GLU A 45 -17.428 -5.609 -5.943 1.00 0.00 H new ATOM 0 HA GLU A 45 -20.092 -6.716 -5.768 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.336 -7.166 -7.530 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.292 -7.878 -6.316 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -19.147 -9.572 -5.819 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -20.040 -8.918 -7.178 1.00 0.00 H new ATOM 743 N LYS A 46 -18.038 -7.629 -3.413 1.00 0.00 N ATOM 744 CA LYS A 46 -18.007 -8.381 -2.124 1.00 0.00 C ATOM 745 C LYS A 46 -18.256 -7.435 -0.945 1.00 0.00 C ATOM 746 O LYS A 46 -18.584 -7.862 0.143 1.00 0.00 O ATOM 747 CB LYS A 46 -16.600 -8.972 -2.055 1.00 0.00 C ATOM 748 CG LYS A 46 -16.319 -9.769 -3.330 1.00 0.00 C ATOM 749 CD LYS A 46 -15.814 -11.166 -2.961 1.00 0.00 C ATOM 750 CE LYS A 46 -15.845 -12.063 -4.200 1.00 0.00 C ATOM 751 NZ LYS A 46 -15.545 -13.431 -3.693 1.00 0.00 N ATOM 0 H LYS A 46 -17.206 -7.073 -3.612 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.779 -9.149 -2.073 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.865 -8.176 -1.942 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.508 -9.618 -1.182 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -17.226 -9.846 -3.930 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -15.577 -9.252 -3.938 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.799 -11.105 -2.568 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -16.436 -11.593 -2.174 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -16.819 -12.028 -4.688 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -15.107 -11.744 -4.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -15.549 -14.104 -4.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -14.609 -13.436 -3.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -16.268 -13.710 -2.999 1.00 0.00 H new ATOM 765 N LYS A 47 -18.104 -6.156 -1.157 1.00 0.00 N ATOM 766 CA LYS A 47 -18.334 -5.172 -0.057 1.00 0.00 C ATOM 767 C LYS A 47 -17.272 -5.323 1.037 1.00 0.00 C ATOM 768 O LYS A 47 -17.511 -5.029 2.191 1.00 0.00 O ATOM 769 CB LYS A 47 -19.722 -5.487 0.506 1.00 0.00 C ATOM 770 CG LYS A 47 -20.726 -5.692 -0.633 1.00 0.00 C ATOM 771 CD LYS A 47 -21.829 -6.646 -0.169 1.00 0.00 C ATOM 772 CE LYS A 47 -23.168 -5.908 -0.140 1.00 0.00 C ATOM 773 NZ LYS A 47 -23.988 -6.557 -1.201 1.00 0.00 N ATOM 0 H LYS A 47 -17.829 -5.747 -2.050 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.270 -4.148 -0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -19.676 -6.383 1.124 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -20.054 -4.672 1.150 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -21.157 -4.736 -0.930 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -20.221 -6.100 -1.509 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -21.889 -7.502 -0.841 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -21.595 -7.034 0.822 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -23.645 -5.994 0.836 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -23.037 -4.844 -0.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -24.923 -6.104 -1.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -23.512 -6.453 -2.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -24.102 -7.567 -0.982 1.00 0.00 H new ATOM 787 N CYS A 48 -16.097 -5.766 0.685 1.00 0.00 N ATOM 788 CA CYS A 48 -15.021 -5.915 1.706 1.00 0.00 C ATOM 789 C CYS A 48 -13.704 -5.423 1.115 1.00 0.00 C ATOM 790 O CYS A 48 -13.660 -4.928 0.005 1.00 0.00 O ATOM 791 CB CYS A 48 -14.907 -7.413 2.013 1.00 0.00 C ATOM 792 SG CYS A 48 -16.521 -8.229 1.902 1.00 0.00 S ATOM 0 H CYS A 48 -15.835 -6.031 -0.264 1.00 0.00 H new ATOM 0 HA CYS A 48 -15.244 -5.343 2.606 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -14.212 -7.878 1.314 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.494 -7.552 3.012 1.00 0.00 H new ATOM 797 N SER A 49 -12.630 -5.569 1.829 1.00 0.00 N ATOM 798 CA SER A 49 -11.326 -5.125 1.280 1.00 0.00 C ATOM 799 C SER A 49 -10.428 -6.335 1.047 1.00 0.00 C ATOM 800 O SER A 49 -10.725 -7.439 1.468 1.00 0.00 O ATOM 801 CB SER A 49 -10.728 -4.208 2.341 1.00 0.00 C ATOM 802 OG SER A 49 -11.190 -4.609 3.625 1.00 0.00 O ATOM 0 H SER A 49 -12.598 -5.974 2.764 1.00 0.00 H new ATOM 0 HA SER A 49 -11.433 -4.611 0.325 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.640 -4.252 2.304 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.012 -3.174 2.146 1.00 0.00 H new ATOM 0 HG SER A 49 -10.429 -4.900 4.170 1.00 0.00 H new ATOM 808 N TYR A 50 -9.331 -6.126 0.381 1.00 0.00 N ATOM 809 CA TYR A 50 -8.391 -7.247 0.111 1.00 0.00 C ATOM 810 C TYR A 50 -6.996 -6.678 -0.163 1.00 0.00 C ATOM 811 O TYR A 50 -6.843 -5.507 -0.448 1.00 0.00 O ATOM 812 CB TYR A 50 -8.953 -7.955 -1.123 1.00 0.00 C ATOM 813 CG TYR A 50 -9.191 -6.950 -2.223 1.00 0.00 C ATOM 814 CD1 TYR A 50 -8.141 -6.584 -3.070 1.00 0.00 C ATOM 815 CD2 TYR A 50 -10.462 -6.389 -2.400 1.00 0.00 C ATOM 816 CE1 TYR A 50 -8.357 -5.657 -4.095 1.00 0.00 C ATOM 817 CE2 TYR A 50 -10.679 -5.461 -3.426 1.00 0.00 C ATOM 818 CZ TYR A 50 -9.626 -5.096 -4.274 1.00 0.00 C ATOM 819 OH TYR A 50 -9.840 -4.181 -5.284 1.00 0.00 O ATOM 0 H TYR A 50 -9.042 -5.221 0.009 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.299 -7.937 0.949 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -8.257 -8.722 -1.463 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -9.885 -8.460 -0.871 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -7.161 -7.018 -2.933 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -11.274 -6.672 -1.746 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -7.544 -5.374 -4.748 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -11.658 -5.027 -3.563 1.00 0.00 H new ATOM 0 HH TYR A 50 -10.622 -3.631 -5.067 1.00 0.00 H new ATOM 829 N THR A 51 -5.978 -7.485 -0.064 1.00 0.00 N ATOM 830 CA THR A 51 -4.602 -6.964 -0.303 1.00 0.00 C ATOM 831 C THR A 51 -4.115 -7.307 -1.710 1.00 0.00 C ATOM 832 O THR A 51 -4.396 -8.363 -2.241 1.00 0.00 O ATOM 833 CB THR A 51 -3.723 -7.655 0.739 1.00 0.00 C ATOM 834 OG1 THR A 51 -3.956 -9.057 0.696 1.00 0.00 O ATOM 835 CG2 THR A 51 -4.055 -7.120 2.131 1.00 0.00 C ATOM 0 H THR A 51 -6.037 -8.476 0.170 1.00 0.00 H new ATOM 0 HA THR A 51 -4.571 -5.878 -0.220 1.00 0.00 H new ATOM 0 HB THR A 51 -2.674 -7.454 0.521 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.392 -9.503 1.362 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.426 -7.615 2.871 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.873 -6.046 2.161 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.103 -7.317 2.356 1.00 0.00 H new ATOM 843 N GLU A 52 -3.365 -6.423 -2.301 1.00 0.00 N ATOM 844 CA GLU A 52 -2.823 -6.680 -3.665 1.00 0.00 C ATOM 845 C GLU A 52 -1.301 -6.806 -3.577 1.00 0.00 C ATOM 846 O GLU A 52 -0.578 -5.837 -3.696 1.00 0.00 O ATOM 847 CB GLU A 52 -3.219 -5.457 -4.493 1.00 0.00 C ATOM 848 CG GLU A 52 -3.958 -5.911 -5.755 1.00 0.00 C ATOM 849 CD GLU A 52 -3.060 -6.848 -6.566 1.00 0.00 C ATOM 850 OE1 GLU A 52 -2.934 -7.997 -6.177 1.00 0.00 O ATOM 851 OE2 GLU A 52 -2.518 -6.401 -7.562 1.00 0.00 O ATOM 0 H GLU A 52 -3.101 -5.525 -1.895 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.207 -7.598 -4.110 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.855 -4.797 -3.904 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.331 -4.886 -4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.882 -6.421 -5.484 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.236 -5.046 -6.357 1.00 0.00 H new ATOM 858 N ASP A 53 -0.814 -7.992 -3.343 1.00 0.00 N ATOM 859 CA ASP A 53 0.659 -8.184 -3.215 1.00 0.00 C ATOM 860 C ASP A 53 1.421 -7.417 -4.296 1.00 0.00 C ATOM 861 O ASP A 53 1.003 -7.330 -5.433 1.00 0.00 O ATOM 862 CB ASP A 53 0.885 -9.683 -3.381 1.00 0.00 C ATOM 863 CG ASP A 53 0.069 -10.445 -2.335 1.00 0.00 C ATOM 864 OD1 ASP A 53 0.410 -10.358 -1.168 1.00 0.00 O ATOM 865 OD2 ASP A 53 -0.882 -11.105 -2.721 1.00 0.00 O ATOM 0 H ASP A 53 -1.372 -8.839 -3.235 1.00 0.00 H new ATOM 0 HA ASP A 53 1.021 -7.810 -2.258 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.593 -9.996 -4.383 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.944 -9.916 -3.271 1.00 0.00 H new ATOM 870 N ALA A 54 2.550 -6.880 -3.936 1.00 0.00 N ATOM 871 CA ALA A 54 3.386 -6.128 -4.915 1.00 0.00 C ATOM 872 C ALA A 54 4.834 -6.620 -4.822 1.00 0.00 C ATOM 873 O ALA A 54 5.176 -7.392 -3.948 1.00 0.00 O ATOM 874 CB ALA A 54 3.284 -4.663 -4.489 1.00 0.00 C ATOM 0 H ALA A 54 2.936 -6.930 -2.993 1.00 0.00 H new ATOM 0 HA ALA A 54 3.057 -6.265 -5.945 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.876 -4.046 -5.165 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.242 -4.345 -4.525 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.662 -4.553 -3.472 1.00 0.00 H new ATOM 880 N GLN A 55 5.689 -6.190 -5.708 1.00 0.00 N ATOM 881 CA GLN A 55 7.107 -6.651 -5.647 1.00 0.00 C ATOM 882 C GLN A 55 8.062 -5.474 -5.841 1.00 0.00 C ATOM 883 O GLN A 55 7.792 -4.559 -6.593 1.00 0.00 O ATOM 884 CB GLN A 55 7.254 -7.652 -6.794 1.00 0.00 C ATOM 885 CG GLN A 55 8.432 -8.586 -6.509 1.00 0.00 C ATOM 886 CD GLN A 55 9.408 -8.557 -7.686 1.00 0.00 C ATOM 887 OE1 GLN A 55 9.963 -7.525 -8.006 1.00 0.00 O ATOM 888 NE2 GLN A 55 9.645 -9.656 -8.350 1.00 0.00 N ATOM 0 H GLN A 55 5.471 -5.544 -6.467 1.00 0.00 H new ATOM 0 HA GLN A 55 7.348 -7.097 -4.682 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.337 -8.230 -6.906 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.414 -7.123 -7.734 1.00 0.00 H new ATOM 0 HG2 GLN A 55 8.940 -8.278 -5.595 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.072 -9.602 -6.347 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.180 -10.524 -8.083 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.295 -9.647 -9.136 1.00 0.00 H new ATOM 897 N CYS A 56 9.181 -5.493 -5.171 1.00 0.00 N ATOM 898 CA CYS A 56 10.156 -4.380 -5.320 1.00 0.00 C ATOM 899 C CYS A 56 11.327 -4.822 -6.201 1.00 0.00 C ATOM 900 O CYS A 56 11.705 -5.976 -6.216 1.00 0.00 O ATOM 901 CB CYS A 56 10.634 -4.083 -3.899 1.00 0.00 C ATOM 902 SG CYS A 56 10.468 -2.311 -3.564 1.00 0.00 S ATOM 0 H CYS A 56 9.461 -6.232 -4.527 1.00 0.00 H new ATOM 0 HA CYS A 56 9.716 -3.502 -5.793 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.049 -4.656 -3.180 1.00 0.00 H new ATOM 0 HB3 CYS A 56 11.673 -4.390 -3.782 1.00 0.00 H new ATOM 907 N ILE A 57 11.899 -3.910 -6.937 1.00 0.00 N ATOM 908 CA ILE A 57 13.044 -4.268 -7.822 1.00 0.00 C ATOM 909 C ILE A 57 14.178 -3.251 -7.644 1.00 0.00 C ATOM 910 O ILE A 57 14.037 -2.261 -6.955 1.00 0.00 O ATOM 911 CB ILE A 57 12.476 -4.216 -9.245 1.00 0.00 C ATOM 912 CG1 ILE A 57 11.559 -5.421 -9.470 1.00 0.00 C ATOM 913 CG2 ILE A 57 13.617 -4.255 -10.266 1.00 0.00 C ATOM 914 CD1 ILE A 57 12.393 -6.703 -9.463 1.00 0.00 C ATOM 0 H ILE A 57 11.622 -2.929 -6.964 1.00 0.00 H new ATOM 0 HA ILE A 57 13.462 -5.249 -7.593 1.00 0.00 H new ATOM 0 HB ILE A 57 11.912 -3.292 -9.370 1.00 0.00 H new ATOM 0 HG12 ILE A 57 10.799 -5.464 -8.690 1.00 0.00 H new ATOM 0 HG13 ILE A 57 11.035 -5.320 -10.420 1.00 0.00 H new ATOM 0 HG21 ILE A 57 13.204 -4.218 -11.274 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.274 -3.399 -10.111 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.186 -5.176 -10.141 1.00 0.00 H new ATOM 0 HD11 ILE A 57 11.741 -7.562 -9.623 1.00 0.00 H new ATOM 0 HD12 ILE A 57 13.136 -6.658 -10.259 1.00 0.00 H new ATOM 0 HD13 ILE A 57 12.897 -6.804 -8.502 1.00 0.00 H new ATOM 926 N ASP A 58 15.305 -3.500 -8.250 1.00 0.00 N ATOM 927 CA ASP A 58 16.459 -2.568 -8.117 1.00 0.00 C ATOM 928 C ASP A 58 16.015 -1.105 -8.246 1.00 0.00 C ATOM 929 O ASP A 58 15.841 -0.591 -9.333 1.00 0.00 O ATOM 930 CB ASP A 58 17.390 -2.944 -9.268 1.00 0.00 C ATOM 931 CG ASP A 58 18.838 -2.673 -8.858 1.00 0.00 C ATOM 932 OD1 ASP A 58 19.253 -1.529 -8.941 1.00 0.00 O ATOM 933 OD2 ASP A 58 19.508 -3.615 -8.467 1.00 0.00 O ATOM 0 H ASP A 58 15.477 -4.316 -8.837 1.00 0.00 H new ATOM 0 HA ASP A 58 16.938 -2.654 -7.141 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.264 -3.996 -9.524 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.138 -2.367 -10.158 1.00 0.00 H new ATOM 938 N GLY A 59 15.857 -0.431 -7.141 1.00 0.00 N ATOM 939 CA GLY A 59 15.452 1.006 -7.178 1.00 0.00 C ATOM 940 C GLY A 59 14.220 1.207 -8.068 1.00 0.00 C ATOM 941 O GLY A 59 13.928 2.309 -8.485 1.00 0.00 O ATOM 0 H GLY A 59 15.992 -0.815 -6.206 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.235 1.353 -6.168 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.278 1.611 -7.552 1.00 0.00 H new ATOM 945 N THR A 60 13.489 0.167 -8.360 1.00 0.00 N ATOM 946 CA THR A 60 12.279 0.342 -9.219 1.00 0.00 C ATOM 947 C THR A 60 11.122 -0.509 -8.697 1.00 0.00 C ATOM 948 O THR A 60 11.307 -1.629 -8.277 1.00 0.00 O ATOM 949 CB THR A 60 12.699 -0.132 -10.609 1.00 0.00 C ATOM 950 OG1 THR A 60 13.919 0.496 -10.973 1.00 0.00 O ATOM 951 CG2 THR A 60 11.610 0.233 -11.620 1.00 0.00 C ATOM 0 H THR A 60 13.672 -0.786 -8.047 1.00 0.00 H new ATOM 0 HA THR A 60 11.935 1.376 -9.226 1.00 0.00 H new ATOM 0 HB THR A 60 12.838 -1.213 -10.601 1.00 0.00 H new ATOM 0 HG1 THR A 60 14.663 0.059 -10.509 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.908 -0.104 -12.613 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.675 -0.250 -11.338 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.471 1.314 -11.631 1.00 0.00 H new ATOM 959 N ILE A 61 9.926 0.010 -8.725 1.00 0.00 N ATOM 960 CA ILE A 61 8.763 -0.782 -8.236 1.00 0.00 C ATOM 961 C ILE A 61 7.484 -0.333 -8.943 1.00 0.00 C ATOM 962 O ILE A 61 7.296 0.833 -9.229 1.00 0.00 O ATOM 963 CB ILE A 61 8.678 -0.495 -6.737 1.00 0.00 C ATOM 964 CG1 ILE A 61 7.316 -0.956 -6.210 1.00 0.00 C ATOM 965 CG2 ILE A 61 8.841 1.006 -6.492 1.00 0.00 C ATOM 966 CD1 ILE A 61 7.512 -1.751 -4.919 1.00 0.00 C ATOM 0 H ILE A 61 9.704 0.946 -9.064 1.00 0.00 H new ATOM 0 HA ILE A 61 8.880 -1.847 -8.436 1.00 0.00 H new ATOM 0 HB ILE A 61 9.471 -1.032 -6.217 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.675 -0.094 -6.025 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.815 -1.572 -6.957 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.780 1.209 -5.423 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.810 1.333 -6.869 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.049 1.547 -7.010 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.543 -2.079 -4.543 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.138 -2.621 -5.119 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.995 -1.120 -4.173 1.00 0.00 H new ATOM 978 N GLU A 62 6.605 -1.250 -9.229 1.00 0.00 N ATOM 979 CA GLU A 62 5.338 -0.877 -9.920 1.00 0.00 C ATOM 980 C GLU A 62 4.233 -0.619 -8.892 1.00 0.00 C ATOM 981 O GLU A 62 4.490 -0.212 -7.777 1.00 0.00 O ATOM 982 CB GLU A 62 4.992 -2.087 -10.788 1.00 0.00 C ATOM 983 CG GLU A 62 6.214 -2.490 -11.615 1.00 0.00 C ATOM 984 CD GLU A 62 5.783 -2.798 -13.050 1.00 0.00 C ATOM 985 OE1 GLU A 62 4.598 -2.706 -13.325 1.00 0.00 O ATOM 986 OE2 GLU A 62 6.645 -3.120 -13.851 1.00 0.00 O ATOM 0 H GLU A 62 6.707 -2.242 -9.015 1.00 0.00 H new ATOM 0 HA GLU A 62 5.440 0.033 -10.511 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.675 -2.919 -10.160 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.157 -1.848 -11.447 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.950 -1.686 -11.610 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.693 -3.364 -11.173 1.00 0.00 H new ATOM 993 N VAL A 63 3.004 -0.859 -9.261 1.00 0.00 N ATOM 994 CA VAL A 63 1.881 -0.632 -8.308 1.00 0.00 C ATOM 995 C VAL A 63 0.694 -1.529 -8.684 1.00 0.00 C ATOM 996 O VAL A 63 0.434 -1.742 -9.852 1.00 0.00 O ATOM 997 CB VAL A 63 1.519 0.844 -8.474 1.00 0.00 C ATOM 998 CG1 VAL A 63 0.131 1.108 -7.886 1.00 0.00 C ATOM 999 CG2 VAL A 63 2.552 1.705 -7.743 1.00 0.00 C ATOM 0 H VAL A 63 2.729 -1.202 -10.181 1.00 0.00 H new ATOM 0 HA VAL A 63 2.147 -0.869 -7.278 1.00 0.00 H new ATOM 0 HB VAL A 63 1.514 1.096 -9.534 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.121 2.161 -8.007 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.607 0.496 -8.405 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.131 0.855 -6.826 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.296 2.758 -7.860 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.556 1.448 -6.684 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.541 1.523 -8.164 1.00 0.00 H new ATOM 1009 N PRO A 64 0.006 -2.030 -7.686 1.00 0.00 N ATOM 1010 CA PRO A 64 -1.158 -2.910 -7.936 1.00 0.00 C ATOM 1011 C PRO A 64 -2.228 -2.172 -8.748 1.00 0.00 C ATOM 1012 O PRO A 64 -2.225 -0.962 -8.847 1.00 0.00 O ATOM 1013 CB PRO A 64 -1.639 -3.246 -6.522 1.00 0.00 C ATOM 1014 CG PRO A 64 -0.707 -2.555 -5.505 1.00 0.00 C ATOM 1015 CD PRO A 64 0.347 -1.745 -6.273 1.00 0.00 C ATOM 0 HA PRO A 64 -0.923 -3.800 -8.520 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.666 -2.909 -6.382 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.633 -4.325 -6.367 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -1.282 -1.901 -4.849 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.224 -3.298 -4.870 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.284 -0.680 -6.047 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.360 -2.063 -6.028 1.00 0.00 H new ATOM 1272 N ALA A 80 -9.890 1.474 1.947 1.00 0.00 N ATOM 1273 CA ALA A 80 -9.339 0.089 1.904 1.00 0.00 C ATOM 1274 C ALA A 80 -8.300 -0.110 3.010 1.00 0.00 C ATOM 1275 O ALA A 80 -8.318 -1.092 3.724 1.00 0.00 O ATOM 1276 CB ALA A 80 -8.680 -0.031 0.531 1.00 0.00 C ATOM 0 HA ALA A 80 -10.113 -0.663 2.058 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.249 -1.026 0.420 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -9.427 0.129 -0.246 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.894 0.718 0.438 1.00 0.00 H new ATOM 1282 N SER A 81 -7.392 0.814 3.153 1.00 0.00 N ATOM 1283 CA SER A 81 -6.346 0.679 4.206 1.00 0.00 C ATOM 1284 C SER A 81 -6.990 0.510 5.587 1.00 0.00 C ATOM 1285 O SER A 81 -6.339 0.125 6.538 1.00 0.00 O ATOM 1286 CB SER A 81 -5.554 1.984 4.145 1.00 0.00 C ATOM 1287 OG SER A 81 -6.428 3.047 3.787 1.00 0.00 O ATOM 0 H SER A 81 -7.328 1.659 2.585 1.00 0.00 H new ATOM 0 HA SER A 81 -5.714 -0.195 4.044 1.00 0.00 H new ATOM 0 HB2 SER A 81 -5.091 2.188 5.111 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.747 1.900 3.417 1.00 0.00 H new ATOM 0 HG SER A 81 -6.945 3.324 4.572 1.00 0.00 H new ATOM 1293 N ASP A 82 -8.257 0.800 5.711 1.00 0.00 N ATOM 1294 CA ASP A 82 -8.921 0.658 7.040 1.00 0.00 C ATOM 1295 C ASP A 82 -10.144 -0.259 6.945 1.00 0.00 C ATOM 1296 O ASP A 82 -11.091 -0.121 7.694 1.00 0.00 O ATOM 1297 CB ASP A 82 -9.347 2.074 7.421 1.00 0.00 C ATOM 1298 CG ASP A 82 -8.110 2.971 7.509 1.00 0.00 C ATOM 1299 OD1 ASP A 82 -7.286 2.900 6.612 1.00 0.00 O ATOM 1300 OD2 ASP A 82 -8.007 3.710 8.473 1.00 0.00 O ATOM 0 H ASP A 82 -8.859 1.127 4.955 1.00 0.00 H new ATOM 0 HA ASP A 82 -8.256 0.212 7.779 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.043 2.468 6.681 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.871 2.063 8.377 1.00 0.00 H new ATOM 1305 N VAL A 83 -10.130 -1.202 6.045 1.00 0.00 N ATOM 1306 CA VAL A 83 -11.293 -2.128 5.926 1.00 0.00 C ATOM 1307 C VAL A 83 -10.853 -3.560 6.231 1.00 0.00 C ATOM 1308 O VAL A 83 -9.698 -3.909 6.086 1.00 0.00 O ATOM 1309 CB VAL A 83 -11.766 -2.014 4.479 1.00 0.00 C ATOM 1310 CG1 VAL A 83 -13.090 -2.763 4.316 1.00 0.00 C ATOM 1311 CG2 VAL A 83 -11.969 -0.540 4.121 1.00 0.00 C ATOM 0 H VAL A 83 -9.368 -1.372 5.389 1.00 0.00 H new ATOM 0 HA VAL A 83 -12.088 -1.875 6.627 1.00 0.00 H new ATOM 0 HB VAL A 83 -11.016 -2.448 3.818 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.429 -2.682 3.283 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.948 -3.813 4.570 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.838 -2.328 4.978 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -12.307 -0.460 3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.718 -0.105 4.782 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -11.027 -0.004 4.237 1.00 0.00 H new ATOM 1321 N LYS A 84 -11.763 -4.395 6.648 1.00 0.00 N ATOM 1322 CA LYS A 84 -11.390 -5.804 6.954 1.00 0.00 C ATOM 1323 C LYS A 84 -11.556 -6.669 5.701 1.00 0.00 C ATOM 1324 O LYS A 84 -12.431 -6.420 4.895 1.00 0.00 O ATOM 1325 CB LYS A 84 -12.361 -6.248 8.048 1.00 0.00 C ATOM 1326 CG LYS A 84 -11.625 -6.317 9.387 1.00 0.00 C ATOM 1327 CD LYS A 84 -11.951 -5.070 10.211 1.00 0.00 C ATOM 1328 CE LYS A 84 -10.801 -4.068 10.096 1.00 0.00 C ATOM 1329 NZ LYS A 84 -10.167 -4.057 11.443 1.00 0.00 N ATOM 0 H LYS A 84 -12.746 -4.164 6.790 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.353 -5.899 7.275 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.194 -5.549 8.115 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.782 -7.223 7.802 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -11.921 -7.214 9.931 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -10.550 -6.386 9.220 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -12.878 -4.619 9.856 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.108 -5.342 11.255 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -10.090 -4.369 9.327 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -11.165 -3.078 9.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.368 -3.392 11.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.866 -3.760 12.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.824 -5.011 11.673 1.00 0.00 H new ATOM 1343 N PRO A 85 -10.715 -7.664 5.572 1.00 0.00 N ATOM 1344 CA PRO A 85 -10.787 -8.567 4.402 1.00 0.00 C ATOM 1345 C PRO A 85 -12.154 -9.255 4.358 1.00 0.00 C ATOM 1346 O PRO A 85 -12.655 -9.714 5.364 1.00 0.00 O ATOM 1347 CB PRO A 85 -9.664 -9.572 4.683 1.00 0.00 C ATOM 1348 CG PRO A 85 -8.986 -9.196 6.016 1.00 0.00 C ATOM 1349 CD PRO A 85 -9.664 -7.940 6.577 1.00 0.00 C ATOM 0 HA PRO A 85 -10.674 -8.064 3.442 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -10.067 -10.583 4.736 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -8.936 -9.561 3.872 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -9.068 -10.019 6.726 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.923 -9.014 5.861 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -10.086 -8.115 7.567 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -8.965 -7.109 6.671 1.00 0.00 H new ATOM 1357 N CYS A 86 -12.767 -9.320 3.206 1.00 0.00 N ATOM 1358 CA CYS A 86 -14.108 -9.972 3.121 1.00 0.00 C ATOM 1359 C CYS A 86 -14.121 -11.263 3.944 1.00 0.00 C ATOM 1360 O CYS A 86 -15.050 -11.441 4.713 1.00 0.00 O ATOM 1361 CB CYS A 86 -14.315 -10.283 1.640 1.00 0.00 C ATOM 1362 SG CYS A 86 -16.069 -10.080 1.228 1.00 0.00 S ATOM 1363 OXT CYS A 86 -13.202 -12.051 3.789 1.00 0.00 O ATOM 0 H CYS A 86 -12.402 -8.954 2.327 1.00 0.00 H new ATOM 0 HA CYS A 86 -14.898 -9.332 3.514 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -13.706 -9.618 1.028 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -13.993 -11.301 1.421 1.00 0.00 H new