USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 621 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 20 LYS NZ :NH3+ 174:sc= 1.93 (180deg=0.905) USER MOD Set 1.2: A 88 THR OG1 : rot -110:sc= 2.09 USER MOD Set 2.1: A 78 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-2.2) USER MOD Set 2.2: B 208 THR OG1 : rot -150:sc= 0.0121 USER MOD Single : A 13 THR OG1 : rot -32:sc= 0.209 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -42:sc= 1 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -38:sc= 0.236 USER MOD Single : A 60 HIS : no HD1:sc= 0.983 K(o=0.98,f=-3.9!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0.746 K(o=0.75,f=-3.6!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.547 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 67:sc= 1.21 USER MOD Single : A 87 ASN : amide:sc= -0.258 K(o=-0.26,f=-3.3!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ -160:sc= 0.69 (180deg=0.509) USER MOD Single : B 209 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 73 N THR A 13 -6.752 -7.474 -6.198 1.00 0.00 N ATOM 74 CA THR A 13 -5.972 -6.278 -6.242 1.00 0.00 C ATOM 75 C THR A 13 -6.809 -5.051 -6.363 1.00 0.00 C ATOM 76 O THR A 13 -7.611 -4.894 -7.283 1.00 0.00 O ATOM 77 CB THR A 13 -4.958 -6.262 -7.347 1.00 0.00 C ATOM 78 OG1 THR A 13 -5.454 -6.797 -8.565 1.00 0.00 O ATOM 79 CG2 THR A 13 -3.773 -7.131 -6.890 1.00 0.00 C ATOM 0 HA THR A 13 -5.448 -6.274 -5.286 1.00 0.00 H new ATOM 0 HB THR A 13 -4.680 -5.226 -7.538 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.101 -7.507 -8.371 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.011 -7.145 -7.669 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.349 -6.717 -5.975 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.119 -8.148 -6.702 1.00 0.00 H new ATOM 87 N PHE A 14 -6.634 -4.106 -5.422 1.00 0.00 N ATOM 88 CA PHE A 14 -7.184 -2.786 -5.458 1.00 0.00 C ATOM 89 C PHE A 14 -6.049 -1.832 -5.608 1.00 0.00 C ATOM 90 O PHE A 14 -5.058 -1.907 -4.885 1.00 0.00 O ATOM 91 CB PHE A 14 -8.114 -2.382 -4.302 1.00 0.00 C ATOM 92 CG PHE A 14 -7.930 -3.015 -2.966 1.00 0.00 C ATOM 93 CD1 PHE A 14 -7.912 -4.377 -2.774 1.00 0.00 C ATOM 94 CD2 PHE A 14 -7.902 -2.224 -1.841 1.00 0.00 C ATOM 95 CE1 PHE A 14 -7.718 -4.929 -1.531 1.00 0.00 C ATOM 96 CE2 PHE A 14 -7.665 -2.751 -0.593 1.00 0.00 C ATOM 97 CZ PHE A 14 -7.563 -4.113 -0.434 1.00 0.00 C ATOM 0 H PHE A 14 -6.075 -4.274 -4.586 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.865 -2.761 -6.309 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.023 -1.304 -4.169 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.138 -2.579 -4.620 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.054 -5.030 -3.623 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.070 -1.162 -1.940 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.687 -6.002 -1.415 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.559 -2.097 0.260 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.364 -4.537 0.539 1.00 0.00 H new ATOM 107 N GLU A 15 -6.143 -0.913 -6.586 1.00 0.00 N ATOM 108 CA GLU A 15 -5.197 0.133 -6.820 1.00 0.00 C ATOM 109 C GLU A 15 -5.708 1.391 -6.202 1.00 0.00 C ATOM 110 O GLU A 15 -6.366 2.219 -6.828 1.00 0.00 O ATOM 111 CB GLU A 15 -4.905 0.341 -8.315 1.00 0.00 C ATOM 112 CG GLU A 15 -4.460 -0.935 -9.033 1.00 0.00 C ATOM 113 CD GLU A 15 -4.164 -0.721 -10.510 1.00 0.00 C ATOM 114 OE1 GLU A 15 -2.988 -0.428 -10.854 1.00 0.00 O ATOM 115 OE2 GLU A 15 -5.094 -0.893 -11.345 1.00 0.00 O ATOM 0 H GLU A 15 -6.919 -0.900 -7.247 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.251 -0.154 -6.362 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.800 0.729 -8.801 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.129 1.099 -8.424 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.568 -1.327 -8.544 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.238 -1.691 -8.931 1.00 0.00 H new ATOM 122 N VAL A 16 -5.436 1.538 -4.893 1.00 0.00 N ATOM 123 CA VAL A 16 -5.936 2.549 -4.014 1.00 0.00 C ATOM 124 C VAL A 16 -5.162 3.817 -4.137 1.00 0.00 C ATOM 125 O VAL A 16 -4.023 3.900 -3.682 1.00 0.00 O ATOM 126 CB VAL A 16 -5.815 2.026 -2.613 1.00 0.00 C ATOM 127 CG1 VAL A 16 -6.354 3.038 -1.587 1.00 0.00 C ATOM 128 CG2 VAL A 16 -6.614 0.718 -2.491 1.00 0.00 C ATOM 0 H VAL A 16 -4.812 0.892 -4.410 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.971 2.772 -4.272 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.759 1.853 -2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.251 2.627 -0.582 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.787 3.966 -1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.406 3.238 -1.791 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.529 0.333 -1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.662 0.909 -2.721 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.217 -0.017 -3.191 1.00 0.00 H new ATOM 138 N GLU A 17 -5.721 4.882 -4.740 1.00 0.00 N ATOM 139 CA GLU A 17 -4.985 6.082 -4.991 1.00 0.00 C ATOM 140 C GLU A 17 -5.279 7.082 -3.926 1.00 0.00 C ATOM 141 O GLU A 17 -6.400 7.554 -3.746 1.00 0.00 O ATOM 142 CB GLU A 17 -5.107 6.591 -6.437 1.00 0.00 C ATOM 143 CG GLU A 17 -5.953 7.842 -6.687 1.00 0.00 C ATOM 144 CD GLU A 17 -6.191 8.114 -8.165 1.00 0.00 C ATOM 145 OE1 GLU A 17 -6.923 7.310 -8.801 1.00 0.00 O ATOM 146 OE2 GLU A 17 -5.699 9.143 -8.703 1.00 0.00 O ATOM 0 H GLU A 17 -6.690 4.911 -5.056 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.919 5.863 -4.924 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.101 6.788 -6.808 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.518 5.783 -7.042 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.914 7.730 -6.185 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.458 8.704 -6.240 1.00 0.00 H new ATOM 153 N LEU A 18 -4.250 7.380 -3.112 1.00 0.00 N ATOM 154 CA LEU A 18 -4.388 8.203 -1.951 1.00 0.00 C ATOM 155 C LEU A 18 -3.451 9.356 -2.059 1.00 0.00 C ATOM 156 O LEU A 18 -2.365 9.247 -2.626 1.00 0.00 O ATOM 157 CB LEU A 18 -4.002 7.450 -0.668 1.00 0.00 C ATOM 158 CG LEU A 18 -4.748 6.116 -0.497 1.00 0.00 C ATOM 159 CD1 LEU A 18 -4.166 5.298 0.669 1.00 0.00 C ATOM 160 CD2 LEU A 18 -6.269 6.327 -0.389 1.00 0.00 C ATOM 0 H LEU A 18 -3.300 7.041 -3.265 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.431 8.514 -1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.929 7.260 -0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.207 8.086 0.193 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.591 5.522 -1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.714 4.361 0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.115 5.086 0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.257 5.868 1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.763 5.363 -0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.489 6.957 0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.634 6.811 -1.295 1.00 0.00 H new ATOM 172 N ALA A 19 -3.827 10.493 -1.445 1.00 0.00 N ATOM 173 CA ALA A 19 -2.926 11.570 -1.175 1.00 0.00 C ATOM 174 C ALA A 19 -2.749 11.627 0.304 1.00 0.00 C ATOM 175 O ALA A 19 -3.681 11.946 1.041 1.00 0.00 O ATOM 176 CB ALA A 19 -3.465 12.896 -1.738 1.00 0.00 C ATOM 0 H ALA A 19 -4.781 10.667 -1.129 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.965 11.406 -1.663 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.760 13.698 -1.518 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.591 12.809 -2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.427 13.122 -1.278 1.00 0.00 H new ATOM 182 N LYS A 20 -1.553 11.272 0.807 1.00 0.00 N ATOM 183 CA LYS A 20 -1.267 11.140 2.201 1.00 0.00 C ATOM 184 C LYS A 20 -1.460 12.399 2.974 1.00 0.00 C ATOM 185 O LYS A 20 -1.262 13.498 2.458 1.00 0.00 O ATOM 186 CB LYS A 20 0.163 10.630 2.447 1.00 0.00 C ATOM 187 CG LYS A 20 0.669 9.567 1.471 1.00 0.00 C ATOM 188 CD LYS A 20 1.799 10.060 0.565 1.00 0.00 C ATOM 189 CE LYS A 20 3.159 10.049 1.266 1.00 0.00 C ATOM 190 NZ LYS A 20 4.188 10.747 0.462 1.00 0.00 N ATOM 0 H LYS A 20 -0.749 11.068 0.214 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.992 10.409 2.559 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.843 11.481 2.412 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.214 10.223 3.457 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.018 8.703 2.036 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.162 9.229 0.851 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.847 9.432 -0.325 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.575 11.072 0.229 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.071 10.528 2.241 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.470 9.019 1.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.071 10.811 1.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.361 10.217 -0.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.856 11.704 0.228 1.00 0.00 H new ATOM 204 N THR A 21 -1.857 12.310 4.256 1.00 0.00 N ATOM 205 CA THR A 21 -2.092 13.451 5.085 1.00 0.00 C ATOM 206 C THR A 21 -0.942 13.653 6.010 1.00 0.00 C ATOM 207 O THR A 21 -0.809 13.016 7.053 1.00 0.00 O ATOM 208 CB THR A 21 -3.436 13.457 5.751 1.00 0.00 C ATOM 209 OG1 THR A 21 -3.653 14.592 6.576 1.00 0.00 O ATOM 210 CG2 THR A 21 -3.714 12.203 6.596 1.00 0.00 C ATOM 0 H THR A 21 -2.019 11.421 4.729 1.00 0.00 H new ATOM 0 HA THR A 21 -2.146 14.327 4.439 1.00 0.00 H new ATOM 0 HB THR A 21 -4.126 13.482 4.908 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.545 14.538 6.979 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.704 12.280 7.046 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.672 11.319 5.960 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.964 12.120 7.382 1.00 0.00 H new ATOM 218 N ASP A 22 -0.025 14.556 5.618 1.00 0.00 N ATOM 219 CA ASP A 22 1.153 14.945 6.330 1.00 0.00 C ATOM 220 C ASP A 22 2.082 13.805 6.564 1.00 0.00 C ATOM 221 O ASP A 22 2.531 13.529 7.676 1.00 0.00 O ATOM 222 CB ASP A 22 0.760 15.716 7.601 1.00 0.00 C ATOM 223 CG ASP A 22 1.732 16.809 8.021 1.00 0.00 C ATOM 224 OD1 ASP A 22 2.849 16.931 7.450 1.00 0.00 O ATOM 225 OD2 ASP A 22 1.328 17.600 8.915 1.00 0.00 O ATOM 0 H ASP A 22 -0.116 15.053 4.732 1.00 0.00 H new ATOM 0 HA ASP A 22 1.733 15.629 5.710 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.221 16.164 7.446 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.660 15.006 8.422 1.00 0.00 H new ATOM 230 N GLY A 23 2.397 13.049 5.497 1.00 0.00 N ATOM 231 CA GLY A 23 3.152 11.838 5.572 1.00 0.00 C ATOM 232 C GLY A 23 2.492 10.762 6.365 1.00 0.00 C ATOM 233 O GLY A 23 3.077 10.252 7.320 1.00 0.00 O ATOM 0 H GLY A 23 2.115 13.291 4.547 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.334 11.472 4.562 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.125 12.055 6.012 1.00 0.00 H new ATOM 237 N SER A 24 1.251 10.389 6.005 1.00 0.00 N ATOM 238 CA SER A 24 0.519 9.341 6.646 1.00 0.00 C ATOM 239 C SER A 24 -0.631 9.007 5.759 1.00 0.00 C ATOM 240 O SER A 24 -1.550 9.789 5.524 1.00 0.00 O ATOM 241 CB SER A 24 0.100 9.545 8.113 1.00 0.00 C ATOM 242 OG SER A 24 -0.889 10.538 8.339 1.00 0.00 O ATOM 0 H SER A 24 0.740 10.832 5.242 1.00 0.00 H new ATOM 0 HA SER A 24 1.211 8.507 6.764 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.269 8.596 8.501 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.987 9.803 8.692 1.00 0.00 H new ATOM 0 HG SER A 24 -0.694 11.325 7.788 1.00 0.00 H new ATOM 248 N LEU A 25 -0.592 7.793 5.182 1.00 0.00 N ATOM 249 CA LEU A 25 -1.694 7.094 4.596 1.00 0.00 C ATOM 250 C LEU A 25 -2.612 6.748 5.717 1.00 0.00 C ATOM 251 O LEU A 25 -3.811 7.021 5.735 1.00 0.00 O ATOM 252 CB LEU A 25 -1.183 5.753 4.043 1.00 0.00 C ATOM 253 CG LEU A 25 -0.001 5.795 3.061 1.00 0.00 C ATOM 254 CD1 LEU A 25 0.819 4.498 3.163 1.00 0.00 C ATOM 255 CD2 LEU A 25 -0.468 5.995 1.609 1.00 0.00 C ATOM 0 H LEU A 25 0.276 7.261 5.121 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.166 7.692 3.817 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.896 5.128 4.889 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.016 5.255 3.546 1.00 0.00 H new ATOM 0 HG LEU A 25 0.620 6.648 3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.653 4.539 2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.202 4.388 4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.184 3.646 2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.398 6.019 0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.122 5.172 1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.012 6.936 1.528 1.00 0.00 H new ATOM 267 N GLY A 26 -2.001 6.161 6.762 1.00 0.00 N ATOM 268 CA GLY A 26 -2.629 5.825 8.002 1.00 0.00 C ATOM 269 C GLY A 26 -2.558 4.361 8.273 1.00 0.00 C ATOM 270 O GLY A 26 -3.493 3.773 8.813 1.00 0.00 O ATOM 0 H GLY A 26 -1.013 5.907 6.739 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.147 6.370 8.814 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.672 6.142 7.980 1.00 0.00 H new ATOM 274 N ILE A 27 -1.404 3.759 7.933 1.00 0.00 N ATOM 275 CA ILE A 27 -1.164 2.372 8.183 1.00 0.00 C ATOM 276 C ILE A 27 0.076 2.212 8.993 1.00 0.00 C ATOM 277 O ILE A 27 1.112 2.814 8.714 1.00 0.00 O ATOM 278 CB ILE A 27 -1.119 1.549 6.928 1.00 0.00 C ATOM 279 CG1 ILE A 27 -0.047 2.001 5.924 1.00 0.00 C ATOM 280 CG2 ILE A 27 -2.531 1.625 6.323 1.00 0.00 C ATOM 281 CD1 ILE A 27 0.144 1.032 4.758 1.00 0.00 C ATOM 0 H ILE A 27 -0.628 4.241 7.479 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.011 1.988 8.752 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.832 0.526 7.170 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.319 2.981 5.531 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.902 2.119 6.447 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.564 1.043 5.402 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.253 1.222 7.033 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.778 2.664 6.105 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.915 1.415 4.090 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.446 0.057 5.141 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.793 0.932 4.211 1.00 0.00 H new ATOM 293 N SER A 28 0.004 1.397 10.060 1.00 0.00 N ATOM 294 CA SER A 28 1.164 0.809 10.655 1.00 0.00 C ATOM 295 C SER A 28 1.670 -0.342 9.857 1.00 0.00 C ATOM 296 O SER A 28 0.987 -1.357 9.725 1.00 0.00 O ATOM 297 CB SER A 28 1.007 0.215 12.065 1.00 0.00 C ATOM 298 OG SER A 28 0.758 1.225 13.031 1.00 0.00 O ATOM 0 H SER A 28 -0.872 1.142 10.517 1.00 0.00 H new ATOM 0 HA SER A 28 1.827 1.673 10.696 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.187 -0.503 12.069 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.911 -0.331 12.333 1.00 0.00 H new ATOM 0 HG SER A 28 0.661 0.815 13.916 1.00 0.00 H new ATOM 304 N VAL A 29 2.902 -0.257 9.324 1.00 0.00 N ATOM 305 CA VAL A 29 3.457 -1.292 8.508 1.00 0.00 C ATOM 306 C VAL A 29 4.149 -2.391 9.239 1.00 0.00 C ATOM 307 O VAL A 29 5.037 -2.181 10.064 1.00 0.00 O ATOM 308 CB VAL A 29 4.363 -0.726 7.455 1.00 0.00 C ATOM 309 CG1 VAL A 29 3.489 0.038 6.445 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.446 0.165 8.086 1.00 0.00 C ATOM 0 H VAL A 29 3.522 0.541 9.461 1.00 0.00 H new ATOM 0 HA VAL A 29 2.586 -1.758 8.048 1.00 0.00 H new ATOM 0 HB VAL A 29 4.896 -1.522 6.935 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.121 0.462 5.665 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.769 -0.646 5.996 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.957 0.840 6.957 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.091 0.564 7.303 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.973 0.988 8.621 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.043 -0.425 8.782 1.00 0.00 H new ATOM 320 N THR A 30 3.779 -3.649 8.941 1.00 0.00 N ATOM 321 CA THR A 30 4.382 -4.835 9.464 1.00 0.00 C ATOM 322 C THR A 30 4.701 -5.753 8.334 1.00 0.00 C ATOM 323 O THR A 30 4.282 -5.533 7.199 1.00 0.00 O ATOM 324 CB THR A 30 3.552 -5.535 10.499 1.00 0.00 C ATOM 325 OG1 THR A 30 4.202 -6.623 11.139 1.00 0.00 O ATOM 326 CG2 THR A 30 2.230 -6.060 9.914 1.00 0.00 C ATOM 0 H THR A 30 3.014 -3.849 8.297 1.00 0.00 H new ATOM 0 HA THR A 30 5.292 -4.533 9.983 1.00 0.00 H new ATOM 0 HB THR A 30 3.369 -4.762 11.246 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.597 -7.023 11.798 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.659 -6.560 10.696 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.650 -5.226 9.519 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.442 -6.767 9.112 1.00 0.00 H new ATOM 334 N GLY A 31 5.463 -6.829 8.595 1.00 0.00 N ATOM 335 CA GLY A 31 5.688 -7.906 7.680 1.00 0.00 C ATOM 336 C GLY A 31 6.463 -7.632 6.437 1.00 0.00 C ATOM 337 O GLY A 31 5.990 -7.869 5.326 1.00 0.00 O ATOM 0 H GLY A 31 5.945 -6.955 9.485 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.201 -8.700 8.222 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.715 -8.299 7.384 1.00 0.00 H new ATOM 341 N GLY A 32 7.717 -7.162 6.555 1.00 0.00 N ATOM 342 CA GLY A 32 8.593 -7.010 5.435 1.00 0.00 C ATOM 343 C GLY A 32 9.499 -8.190 5.345 1.00 0.00 C ATOM 344 O GLY A 32 9.409 -9.110 6.156 1.00 0.00 O ATOM 0 H GLY A 32 8.131 -6.882 7.444 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.013 -6.913 4.517 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.178 -6.097 5.540 1.00 0.00 H new ATOM 348 N VAL A 33 10.446 -8.195 4.389 1.00 0.00 N ATOM 349 CA VAL A 33 11.345 -9.285 4.166 1.00 0.00 C ATOM 350 C VAL A 33 12.096 -9.721 5.376 1.00 0.00 C ATOM 351 O VAL A 33 12.388 -10.902 5.560 1.00 0.00 O ATOM 352 CB VAL A 33 12.256 -9.042 3.000 1.00 0.00 C ATOM 353 CG1 VAL A 33 13.352 -8.006 3.303 1.00 0.00 C ATOM 354 CG2 VAL A 33 12.902 -10.344 2.495 1.00 0.00 C ATOM 0 H VAL A 33 10.591 -7.414 3.750 1.00 0.00 H new ATOM 0 HA VAL A 33 10.701 -10.127 3.912 1.00 0.00 H new ATOM 0 HB VAL A 33 11.619 -8.635 2.215 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.980 -7.872 2.422 1.00 0.00 H new ATOM 0 HG12 VAL A 33 12.890 -7.055 3.567 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.964 -8.356 4.135 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.554 -10.123 1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 33 13.487 -10.795 3.297 1.00 0.00 H new ATOM 0 HG23 VAL A 33 12.123 -11.038 2.180 1.00 0.00 H new ATOM 467 N GLY A 41 7.270 -7.765 0.350 1.00 0.00 N ATOM 468 CA GLY A 41 6.020 -7.110 0.575 1.00 0.00 C ATOM 469 C GLY A 41 6.065 -6.222 1.771 1.00 0.00 C ATOM 470 O GLY A 41 7.112 -5.998 2.375 1.00 0.00 O ATOM 0 HA2 GLY A 41 5.755 -6.522 -0.304 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.237 -7.857 0.707 1.00 0.00 H new ATOM 474 N ILE A 42 4.890 -5.690 2.154 1.00 0.00 N ATOM 475 CA ILE A 42 4.646 -5.147 3.454 1.00 0.00 C ATOM 476 C ILE A 42 3.204 -5.420 3.708 1.00 0.00 C ATOM 477 O ILE A 42 2.460 -5.749 2.785 1.00 0.00 O ATOM 478 CB ILE A 42 5.098 -3.729 3.641 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.434 -3.385 5.103 1.00 0.00 C ATOM 480 CG2 ILE A 42 4.131 -2.636 3.156 1.00 0.00 C ATOM 481 CD1 ILE A 42 6.668 -4.114 5.633 1.00 0.00 C ATOM 0 H ILE A 42 4.081 -5.636 1.536 1.00 0.00 H new ATOM 0 HA ILE A 42 5.263 -5.622 4.217 1.00 0.00 H new ATOM 0 HB ILE A 42 5.984 -3.715 3.006 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.593 -2.310 5.188 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.578 -3.631 5.732 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.567 -1.655 3.344 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.954 -2.755 2.087 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.186 -2.722 3.692 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.845 -3.824 6.669 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.505 -5.190 5.581 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.535 -3.849 5.028 1.00 0.00 H new ATOM 493 N TYR A 43 2.726 -5.385 4.964 1.00 0.00 N ATOM 494 CA TYR A 43 1.372 -5.692 5.309 1.00 0.00 C ATOM 495 C TYR A 43 0.928 -4.648 6.275 1.00 0.00 C ATOM 496 O TYR A 43 1.740 -3.970 6.905 1.00 0.00 O ATOM 497 CB TYR A 43 1.251 -7.043 6.033 1.00 0.00 C ATOM 498 CG TYR A 43 1.569 -8.211 5.165 1.00 0.00 C ATOM 499 CD1 TYR A 43 2.872 -8.541 4.875 1.00 0.00 C ATOM 500 CD2 TYR A 43 0.558 -9.017 4.697 1.00 0.00 C ATOM 501 CE1 TYR A 43 3.162 -9.638 4.098 1.00 0.00 C ATOM 502 CE2 TYR A 43 0.839 -10.130 3.940 1.00 0.00 C ATOM 503 CZ TYR A 43 2.144 -10.436 3.632 1.00 0.00 C ATOM 504 OH TYR A 43 2.439 -11.562 2.833 1.00 0.00 O ATOM 0 H TYR A 43 3.302 -5.134 5.768 1.00 0.00 H new ATOM 0 HA TYR A 43 0.779 -5.730 4.395 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.920 -7.047 6.893 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.237 -7.151 6.417 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.676 -7.932 5.261 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.469 -8.773 4.927 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.188 -9.872 3.854 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.037 -10.762 3.588 1.00 0.00 H new ATOM 0 HH TYR A 43 1.606 -12.017 2.589 1.00 0.00 H new ATOM 514 N VAL A 44 -0.391 -4.469 6.467 1.00 0.00 N ATOM 515 CA VAL A 44 -0.885 -3.546 7.442 1.00 0.00 C ATOM 516 C VAL A 44 -1.128 -4.210 8.754 1.00 0.00 C ATOM 517 O VAL A 44 -1.818 -5.224 8.833 1.00 0.00 O ATOM 518 CB VAL A 44 -2.169 -2.902 7.009 1.00 0.00 C ATOM 519 CG1 VAL A 44 -2.439 -1.726 7.962 1.00 0.00 C ATOM 520 CG2 VAL A 44 -2.075 -2.425 5.550 1.00 0.00 C ATOM 0 H VAL A 44 -1.116 -4.963 5.947 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.111 -2.786 7.545 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.990 -3.617 7.054 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.368 -1.232 7.677 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.524 -2.097 8.983 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.616 -1.013 7.903 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.017 -1.961 5.257 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.268 -1.698 5.456 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.873 -3.277 4.901 1.00 0.00 H new ATOM 530 N LYS A 45 -0.596 -3.651 9.856 1.00 0.00 N ATOM 531 CA LYS A 45 -0.922 -4.050 11.191 1.00 0.00 C ATOM 532 C LYS A 45 -2.095 -3.296 11.713 1.00 0.00 C ATOM 533 O LYS A 45 -3.028 -3.881 12.260 1.00 0.00 O ATOM 534 CB LYS A 45 0.281 -3.875 12.134 1.00 0.00 C ATOM 535 CG LYS A 45 -0.021 -3.995 13.629 1.00 0.00 C ATOM 536 CD LYS A 45 1.036 -4.780 14.407 1.00 0.00 C ATOM 537 CE LYS A 45 0.886 -4.626 15.922 1.00 0.00 C ATOM 538 NZ LYS A 45 1.348 -5.843 16.626 1.00 0.00 N ATOM 0 H LYS A 45 0.086 -2.894 9.816 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.183 -5.108 11.155 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.034 -4.619 11.874 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.724 -2.896 11.950 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.106 -2.995 14.055 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.989 -4.479 13.758 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.966 -5.835 14.144 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.028 -4.442 14.108 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.460 -3.764 16.262 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.157 -4.432 16.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.236 -5.714 17.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.783 -6.659 16.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.350 -6.012 16.406 1.00 0.00 H new ATOM 552 N ALA A 46 -2.097 -1.956 11.592 1.00 0.00 N ATOM 553 CA ALA A 46 -3.070 -1.119 12.222 1.00 0.00 C ATOM 554 C ALA A 46 -3.563 -0.081 11.273 1.00 0.00 C ATOM 555 O ALA A 46 -2.766 0.640 10.675 1.00 0.00 O ATOM 556 CB ALA A 46 -2.445 -0.469 13.468 1.00 0.00 C ATOM 0 H ALA A 46 -1.407 -1.443 11.044 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.926 -1.723 12.524 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.182 0.171 13.953 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.126 -1.246 14.162 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.583 0.130 13.173 1.00 0.00 H new ATOM 562 N ILE A 47 -4.890 0.031 11.093 1.00 0.00 N ATOM 563 CA ILE A 47 -5.518 1.063 10.327 1.00 0.00 C ATOM 564 C ILE A 47 -5.943 2.139 11.267 1.00 0.00 C ATOM 565 O ILE A 47 -6.742 1.912 12.175 1.00 0.00 O ATOM 566 CB ILE A 47 -6.736 0.624 9.570 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.463 -0.602 8.684 1.00 0.00 C ATOM 568 CG2 ILE A 47 -7.289 1.780 8.719 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.464 -0.314 7.565 1.00 0.00 C ATOM 0 H ILE A 47 -5.556 -0.627 11.499 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.784 1.389 9.590 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.482 0.332 10.309 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.083 -1.415 9.303 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.401 -0.945 8.248 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.172 1.443 8.177 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.558 2.613 9.368 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.529 2.104 8.008 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.311 -1.216 6.973 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.853 0.478 6.925 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.514 0.002 7.997 1.00 0.00 H new ATOM 581 N ILE A 48 -5.430 3.369 11.092 1.00 0.00 N ATOM 582 CA ILE A 48 -5.760 4.421 12.004 1.00 0.00 C ATOM 583 C ILE A 48 -7.043 5.096 11.664 1.00 0.00 C ATOM 584 O ILE A 48 -7.361 5.248 10.484 1.00 0.00 O ATOM 585 CB ILE A 48 -4.692 5.462 12.165 1.00 0.00 C ATOM 586 CG1 ILE A 48 -4.512 6.307 10.892 1.00 0.00 C ATOM 587 CG2 ILE A 48 -3.436 4.750 12.696 1.00 0.00 C ATOM 588 CD1 ILE A 48 -3.255 7.176 10.878 1.00 0.00 C ATOM 0 H ILE A 48 -4.799 3.633 10.335 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.862 3.903 12.958 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.968 6.219 12.899 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.487 5.641 10.030 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.384 6.950 10.772 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.634 5.476 12.827 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.661 4.282 13.654 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.122 3.987 11.984 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.210 7.736 9.944 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.284 7.871 11.717 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.373 6.541 10.963 1.00 0.00 H new ATOM 643 N ALA A 52 -7.118 8.621 5.144 1.00 0.00 N ATOM 644 CA ALA A 52 -6.648 8.443 3.805 1.00 0.00 C ATOM 645 C ALA A 52 -6.760 6.993 3.482 1.00 0.00 C ATOM 646 O ALA A 52 -7.554 6.585 2.636 1.00 0.00 O ATOM 647 CB ALA A 52 -5.251 9.040 3.571 1.00 0.00 C ATOM 0 HA ALA A 52 -7.268 9.008 3.109 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.952 8.872 2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.275 10.111 3.772 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.534 8.561 4.238 1.00 0.00 H new ATOM 653 N ALA A 53 -6.025 6.146 4.223 1.00 0.00 N ATOM 654 CA ALA A 53 -6.093 4.719 4.173 1.00 0.00 C ATOM 655 C ALA A 53 -7.398 4.148 4.610 1.00 0.00 C ATOM 656 O ALA A 53 -8.025 3.386 3.876 1.00 0.00 O ATOM 657 CB ALA A 53 -4.965 4.135 5.039 1.00 0.00 C ATOM 0 H ALA A 53 -5.339 6.480 4.900 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.982 4.442 3.125 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.008 3.046 5.007 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.001 4.471 4.656 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.084 4.473 6.068 1.00 0.00 H new ATOM 663 N GLU A 54 -7.911 4.542 5.789 1.00 0.00 N ATOM 664 CA GLU A 54 -9.217 4.188 6.251 1.00 0.00 C ATOM 665 C GLU A 54 -10.278 4.605 5.292 1.00 0.00 C ATOM 666 O GLU A 54 -11.283 3.927 5.076 1.00 0.00 O ATOM 667 CB GLU A 54 -9.537 4.816 7.618 1.00 0.00 C ATOM 668 CG GLU A 54 -10.881 4.353 8.186 1.00 0.00 C ATOM 669 CD GLU A 54 -11.297 5.076 9.459 1.00 0.00 C ATOM 670 OE1 GLU A 54 -11.646 6.283 9.366 1.00 0.00 O ATOM 671 OE2 GLU A 54 -11.361 4.442 10.546 1.00 0.00 O ATOM 0 H GLU A 54 -7.397 5.129 6.445 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.209 3.102 6.342 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.744 4.564 8.322 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.544 5.902 7.521 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.653 4.497 7.430 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.829 3.283 8.388 1.00 0.00 H new ATOM 678 N SER A 55 -10.047 5.751 4.629 1.00 0.00 N ATOM 679 CA SER A 55 -10.958 6.299 3.672 1.00 0.00 C ATOM 680 C SER A 55 -11.028 5.571 2.373 1.00 0.00 C ATOM 681 O SER A 55 -11.896 5.880 1.559 1.00 0.00 O ATOM 682 CB SER A 55 -10.679 7.787 3.404 1.00 0.00 C ATOM 683 OG SER A 55 -11.789 8.472 2.841 1.00 0.00 O ATOM 0 H SER A 55 -9.205 6.312 4.761 1.00 0.00 H new ATOM 0 HA SER A 55 -11.931 6.177 4.147 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.398 8.271 4.339 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.827 7.875 2.730 1.00 0.00 H new ATOM 0 HG SER A 55 -12.247 7.885 2.204 1.00 0.00 H new ATOM 689 N ASP A 56 -10.188 4.557 2.097 1.00 0.00 N ATOM 690 CA ASP A 56 -10.447 3.655 1.019 1.00 0.00 C ATOM 691 C ASP A 56 -11.564 2.751 1.415 1.00 0.00 C ATOM 692 O ASP A 56 -12.705 2.910 0.984 1.00 0.00 O ATOM 693 CB ASP A 56 -9.199 2.854 0.613 1.00 0.00 C ATOM 694 CG ASP A 56 -9.541 2.009 -0.606 1.00 0.00 C ATOM 695 OD1 ASP A 56 -9.821 2.612 -1.676 1.00 0.00 O ATOM 696 OD2 ASP A 56 -9.693 0.765 -0.476 1.00 0.00 O ATOM 0 H ASP A 56 -9.333 4.363 2.618 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.730 4.233 0.139 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.373 3.529 0.386 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.874 2.217 1.436 1.00 0.00 H new ATOM 701 N GLY A 57 -11.275 1.769 2.288 1.00 0.00 N ATOM 702 CA GLY A 57 -12.294 1.054 2.992 1.00 0.00 C ATOM 703 C GLY A 57 -12.321 -0.408 2.710 1.00 0.00 C ATOM 704 O GLY A 57 -13.007 -1.165 3.396 1.00 0.00 O ATOM 0 H GLY A 57 -10.325 1.468 2.508 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.153 1.203 4.062 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.264 1.480 2.736 1.00 0.00 H new ATOM 708 N ARG A 58 -11.559 -0.863 1.699 1.00 0.00 N ATOM 709 CA ARG A 58 -11.337 -2.252 1.439 1.00 0.00 C ATOM 710 C ARG A 58 -10.266 -2.805 2.316 1.00 0.00 C ATOM 711 O ARG A 58 -10.216 -4.004 2.585 1.00 0.00 O ATOM 712 CB ARG A 58 -10.942 -2.437 -0.035 1.00 0.00 C ATOM 713 CG ARG A 58 -12.109 -2.279 -1.014 1.00 0.00 C ATOM 714 CD ARG A 58 -11.667 -1.760 -2.383 1.00 0.00 C ATOM 715 NE ARG A 58 -11.520 -0.283 -2.250 1.00 0.00 N ATOM 716 CZ ARG A 58 -12.564 0.580 -2.415 1.00 0.00 C ATOM 717 NH1 ARG A 58 -13.764 0.214 -2.956 1.00 0.00 N ATOM 718 NH2 ARG A 58 -12.410 1.877 -2.018 1.00 0.00 N ATOM 0 H ARG A 58 -11.082 -0.245 1.042 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.260 -2.792 1.651 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.168 -1.712 -0.287 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.505 -3.427 -0.162 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -12.606 -3.241 -1.138 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.843 -1.594 -0.590 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.725 -2.218 -2.685 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.402 -2.009 -3.148 1.00 0.00 H new ATOM 0 HE ARG A 58 -10.601 0.099 -2.026 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.914 -0.748 -3.261 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -14.510 0.903 -3.055 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.528 2.183 -1.608 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.177 2.540 -2.132 1.00 0.00 H new ATOM 732 N ILE A 59 -9.372 -1.929 2.809 1.00 0.00 N ATOM 733 CA ILE A 59 -8.306 -2.230 3.713 1.00 0.00 C ATOM 734 C ILE A 59 -8.783 -2.522 5.094 1.00 0.00 C ATOM 735 O ILE A 59 -9.667 -1.858 5.633 1.00 0.00 O ATOM 736 CB ILE A 59 -7.282 -1.139 3.810 1.00 0.00 C ATOM 737 CG1 ILE A 59 -7.347 -0.121 2.660 1.00 0.00 C ATOM 738 CG2 ILE A 59 -5.904 -1.816 3.899 1.00 0.00 C ATOM 739 CD1 ILE A 59 -6.284 0.972 2.763 1.00 0.00 C ATOM 0 H ILE A 59 -9.397 -0.941 2.557 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.847 -3.120 3.282 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.483 -0.543 4.700 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.229 -0.646 1.712 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.334 0.341 2.648 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.128 -1.054 3.971 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.869 -2.455 4.782 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.737 -2.420 3.007 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.384 1.658 1.922 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.415 1.521 3.696 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.293 0.519 2.745 1.00 0.00 H new ATOM 751 N HIS A 60 -8.171 -3.528 5.744 1.00 0.00 N ATOM 752 CA HIS A 60 -8.296 -3.762 7.150 1.00 0.00 C ATOM 753 C HIS A 60 -6.957 -4.121 7.697 1.00 0.00 C ATOM 754 O HIS A 60 -5.922 -3.977 7.047 1.00 0.00 O ATOM 755 CB HIS A 60 -9.352 -4.841 7.447 1.00 0.00 C ATOM 756 CG HIS A 60 -10.131 -4.597 8.705 1.00 0.00 C ATOM 757 ND1 HIS A 60 -9.641 -4.974 9.938 1.00 0.00 N ATOM 758 CD2 HIS A 60 -11.348 -4.005 8.842 1.00 0.00 C ATOM 759 CE1 HIS A 60 -10.577 -4.636 10.805 1.00 0.00 C ATOM 760 NE2 HIS A 60 -11.632 -4.034 10.192 1.00 0.00 N ATOM 0 H HIS A 60 -7.567 -4.203 5.274 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.645 -2.854 7.643 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.045 -4.899 6.607 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.857 -5.810 7.519 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -11.965 -3.596 8.056 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.513 -4.815 11.868 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -12.472 -3.673 10.644 1.00 0.00 H new ATOM 768 N LYS A 61 -6.911 -4.618 8.946 1.00 0.00 N ATOM 769 CA LYS A 61 -5.702 -4.970 9.625 1.00 0.00 C ATOM 770 C LYS A 61 -5.201 -6.311 9.212 1.00 0.00 C ATOM 771 O LYS A 61 -5.337 -7.299 9.932 1.00 0.00 O ATOM 772 CB LYS A 61 -5.934 -4.964 11.145 1.00 0.00 C ATOM 773 CG LYS A 61 -6.336 -3.598 11.705 1.00 0.00 C ATOM 774 CD LYS A 61 -6.382 -3.549 13.233 1.00 0.00 C ATOM 775 CE LYS A 61 -7.413 -4.495 13.853 1.00 0.00 C ATOM 776 NZ LYS A 61 -7.498 -4.303 15.318 1.00 0.00 N ATOM 0 H LYS A 61 -7.748 -4.781 9.505 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.950 -4.229 9.355 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.712 -5.688 11.387 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.023 -5.296 11.643 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.632 -2.847 11.347 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.316 -3.328 11.312 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.395 -3.796 13.625 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.604 -2.529 13.548 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.390 -4.319 13.403 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.142 -5.528 13.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.204 -4.956 15.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.570 -4.494 15.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.779 -3.323 15.524 1.00 0.00 H new ATOM 790 N GLY A 62 -4.598 -6.411 8.014 1.00 0.00 N ATOM 791 CA GLY A 62 -3.961 -7.617 7.583 1.00 0.00 C ATOM 792 C GLY A 62 -3.823 -7.796 6.110 1.00 0.00 C ATOM 793 O GLY A 62 -3.515 -8.898 5.659 1.00 0.00 O ATOM 0 H GLY A 62 -4.552 -5.649 7.338 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.967 -7.658 8.028 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.523 -8.462 7.980 1.00 0.00 H new ATOM 797 N ASP A 63 -4.036 -6.749 5.293 1.00 0.00 N ATOM 798 CA ASP A 63 -3.901 -6.850 3.873 1.00 0.00 C ATOM 799 C ASP A 63 -2.490 -6.732 3.408 1.00 0.00 C ATOM 800 O ASP A 63 -1.613 -6.212 4.095 1.00 0.00 O ATOM 801 CB ASP A 63 -4.756 -5.791 3.155 1.00 0.00 C ATOM 802 CG ASP A 63 -6.214 -6.097 3.466 1.00 0.00 C ATOM 803 OD1 ASP A 63 -6.715 -7.195 3.106 1.00 0.00 O ATOM 804 OD2 ASP A 63 -6.857 -5.268 4.164 1.00 0.00 O ATOM 0 H ASP A 63 -4.305 -5.822 5.621 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.255 -7.849 3.617 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.493 -4.790 3.496 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.579 -5.819 2.080 1.00 0.00 H new ATOM 809 N ARG A 64 -2.243 -7.245 2.190 1.00 0.00 N ATOM 810 CA ARG A 64 -0.943 -7.462 1.634 1.00 0.00 C ATOM 811 C ARG A 64 -0.602 -6.386 0.662 1.00 0.00 C ATOM 812 O ARG A 64 -1.213 -6.251 -0.398 1.00 0.00 O ATOM 813 CB ARG A 64 -0.947 -8.854 0.980 1.00 0.00 C ATOM 814 CG ARG A 64 0.387 -9.418 0.487 1.00 0.00 C ATOM 815 CD ARG A 64 0.774 -9.063 -0.949 1.00 0.00 C ATOM 816 NE ARG A 64 1.937 -9.930 -1.291 1.00 0.00 N ATOM 817 CZ ARG A 64 1.823 -11.204 -1.768 1.00 0.00 C ATOM 818 NH1 ARG A 64 0.670 -11.712 -2.293 1.00 0.00 N ATOM 819 NH2 ARG A 64 2.928 -12.002 -1.698 1.00 0.00 N ATOM 0 H ARG A 64 -2.993 -7.524 1.557 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.176 -7.427 2.408 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.363 -9.560 1.699 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.631 -8.823 0.132 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.176 -9.067 1.152 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.355 -10.504 0.576 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.057 -9.239 -1.631 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.036 -8.008 -1.032 1.00 0.00 H new ATOM 0 HE ARG A 64 2.874 -9.549 -1.161 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.167 -11.131 -2.344 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.645 -12.673 -2.634 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.795 -11.639 -1.301 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.887 -12.961 -2.043 1.00 0.00 H new ATOM 833 N VAL A 65 0.413 -5.560 0.972 1.00 0.00 N ATOM 834 CA VAL A 65 0.907 -4.531 0.111 1.00 0.00 C ATOM 835 C VAL A 65 1.915 -5.137 -0.802 1.00 0.00 C ATOM 836 O VAL A 65 2.944 -5.651 -0.365 1.00 0.00 O ATOM 837 CB VAL A 65 1.589 -3.416 0.847 1.00 0.00 C ATOM 838 CG1 VAL A 65 1.900 -2.260 -0.117 1.00 0.00 C ATOM 839 CG2 VAL A 65 0.762 -2.928 2.048 1.00 0.00 C ATOM 0 H VAL A 65 0.911 -5.612 1.861 1.00 0.00 H new ATOM 0 HA VAL A 65 0.048 -4.112 -0.413 1.00 0.00 H new ATOM 0 HB VAL A 65 2.526 -3.803 1.247 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.395 -1.456 0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.554 -2.616 -0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.972 -1.887 -0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.293 -2.121 2.552 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.205 -2.565 1.700 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.611 -3.753 2.745 1.00 0.00 H new ATOM 849 N LEU A 66 1.658 -5.115 -2.123 1.00 0.00 N ATOM 850 CA LEU A 66 2.597 -5.546 -3.113 1.00 0.00 C ATOM 851 C LEU A 66 3.354 -4.407 -3.703 1.00 0.00 C ATOM 852 O LEU A 66 4.558 -4.539 -3.916 1.00 0.00 O ATOM 853 CB LEU A 66 1.988 -6.505 -4.150 1.00 0.00 C ATOM 854 CG LEU A 66 0.679 -6.061 -4.823 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.577 -6.611 -6.255 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.561 -6.504 -4.029 1.00 0.00 C ATOM 0 H LEU A 66 0.774 -4.789 -2.513 1.00 0.00 H new ATOM 0 HA LEU A 66 3.341 -6.151 -2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.730 -6.676 -4.930 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.811 -7.464 -3.663 1.00 0.00 H new ATOM 0 HG LEU A 66 0.704 -4.972 -4.849 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.359 -6.281 -6.706 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.415 -6.242 -6.847 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.603 -7.700 -6.229 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.461 -6.168 -4.543 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.573 -7.591 -3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.529 -6.068 -3.031 1.00 0.00 H new ATOM 868 N ALA A 67 2.729 -3.246 -3.967 1.00 0.00 N ATOM 869 CA ALA A 67 3.455 -2.189 -4.600 1.00 0.00 C ATOM 870 C ALA A 67 2.899 -0.829 -4.351 1.00 0.00 C ATOM 871 O ALA A 67 1.782 -0.671 -3.861 1.00 0.00 O ATOM 872 CB ALA A 67 3.500 -2.430 -6.119 1.00 0.00 C ATOM 0 H ALA A 67 1.753 -3.042 -3.751 1.00 0.00 H new ATOM 0 HA ALA A 67 4.451 -2.209 -4.158 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.054 -1.623 -6.599 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.994 -3.380 -6.322 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.484 -2.458 -6.513 1.00 0.00 H new ATOM 878 N VAL A 68 3.673 0.224 -4.667 1.00 0.00 N ATOM 879 CA VAL A 68 3.251 1.584 -4.529 1.00 0.00 C ATOM 880 C VAL A 68 3.619 2.373 -5.737 1.00 0.00 C ATOM 881 O VAL A 68 4.795 2.403 -6.100 1.00 0.00 O ATOM 882 CB VAL A 68 3.874 2.268 -3.347 1.00 0.00 C ATOM 883 CG1 VAL A 68 3.154 3.597 -3.061 1.00 0.00 C ATOM 884 CG2 VAL A 68 3.829 1.361 -2.106 1.00 0.00 C ATOM 0 H VAL A 68 4.621 0.127 -5.030 1.00 0.00 H new ATOM 0 HA VAL A 68 2.170 1.545 -4.393 1.00 0.00 H new ATOM 0 HB VAL A 68 4.918 2.476 -3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.615 4.083 -2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.233 4.248 -3.932 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.103 3.403 -2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.286 1.877 -1.261 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.793 1.122 -1.868 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.377 0.440 -2.308 1.00 0.00 H new ATOM 894 N ASN A 69 2.672 3.017 -6.441 1.00 0.00 N ATOM 895 CA ASN A 69 2.849 3.583 -7.743 1.00 0.00 C ATOM 896 C ASN A 69 3.480 2.695 -8.760 1.00 0.00 C ATOM 897 O ASN A 69 4.162 3.156 -9.674 1.00 0.00 O ATOM 898 CB ASN A 69 3.578 4.937 -7.735 1.00 0.00 C ATOM 899 CG ASN A 69 2.849 5.939 -6.850 1.00 0.00 C ATOM 900 OD1 ASN A 69 1.665 6.200 -7.047 1.00 0.00 O ATOM 901 ND2 ASN A 69 3.565 6.526 -5.854 1.00 0.00 N ATOM 0 H ASN A 69 1.727 3.151 -6.080 1.00 0.00 H new ATOM 0 HA ASN A 69 1.815 3.731 -8.054 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.599 4.803 -7.376 1.00 0.00 H new ATOM 0 HB3 ASN A 69 3.646 5.325 -8.751 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.120 7.208 -5.240 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.547 6.284 -5.721 1.00 0.00 H new ATOM 908 N GLY A 70 3.272 1.370 -8.665 1.00 0.00 N ATOM 909 CA GLY A 70 3.902 0.394 -9.500 1.00 0.00 C ATOM 910 C GLY A 70 5.311 0.097 -9.120 1.00 0.00 C ATOM 911 O GLY A 70 6.124 -0.288 -9.960 1.00 0.00 O ATOM 0 H GLY A 70 2.639 0.961 -7.978 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.324 -0.529 -9.464 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.880 0.744 -10.532 1.00 0.00 H new ATOM 915 N VAL A 71 5.662 0.261 -7.832 1.00 0.00 N ATOM 916 CA VAL A 71 6.960 -0.033 -7.309 1.00 0.00 C ATOM 917 C VAL A 71 6.818 -1.160 -6.345 1.00 0.00 C ATOM 918 O VAL A 71 6.519 -0.976 -5.166 1.00 0.00 O ATOM 919 CB VAL A 71 7.667 1.119 -6.658 1.00 0.00 C ATOM 920 CG1 VAL A 71 9.115 0.731 -6.319 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.686 2.319 -7.622 1.00 0.00 C ATOM 0 H VAL A 71 5.015 0.613 -7.126 1.00 0.00 H new ATOM 0 HA VAL A 71 7.592 -0.291 -8.159 1.00 0.00 H new ATOM 0 HB VAL A 71 7.139 1.382 -5.741 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.617 1.576 -5.847 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.114 -0.118 -5.636 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.643 0.460 -7.233 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.199 3.157 -7.150 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.209 2.042 -8.537 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.663 2.609 -7.862 1.00 0.00 H new ATOM 931 N SER A 72 6.987 -2.397 -6.843 1.00 0.00 N ATOM 932 CA SER A 72 6.905 -3.608 -6.085 1.00 0.00 C ATOM 933 C SER A 72 7.895 -3.714 -4.977 1.00 0.00 C ATOM 934 O SER A 72 9.079 -3.419 -5.136 1.00 0.00 O ATOM 935 CB SER A 72 7.076 -4.885 -6.923 1.00 0.00 C ATOM 936 OG SER A 72 6.083 -5.013 -7.929 1.00 0.00 O ATOM 0 H SER A 72 7.192 -2.562 -7.828 1.00 0.00 H new ATOM 0 HA SER A 72 5.894 -3.540 -5.683 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.062 -4.881 -7.389 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.037 -5.754 -6.266 1.00 0.00 H new ATOM 0 HG SER A 72 6.235 -5.838 -8.435 1.00 0.00 H new ATOM 942 N LEU A 73 7.439 -4.186 -3.803 1.00 0.00 N ATOM 943 CA LEU A 73 8.202 -4.346 -2.604 1.00 0.00 C ATOM 944 C LEU A 73 9.021 -5.591 -2.584 1.00 0.00 C ATOM 945 O LEU A 73 9.008 -6.378 -1.639 1.00 0.00 O ATOM 946 CB LEU A 73 7.244 -4.316 -1.401 1.00 0.00 C ATOM 947 CG LEU A 73 6.644 -2.931 -1.106 1.00 0.00 C ATOM 948 CD1 LEU A 73 5.440 -3.069 -0.160 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.667 -1.988 -0.452 1.00 0.00 C ATOM 0 H LEU A 73 6.468 -4.476 -3.684 1.00 0.00 H new ATOM 0 HA LEU A 73 8.913 -3.521 -2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.432 -5.020 -1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.778 -4.664 -0.517 1.00 0.00 H new ATOM 0 HG LEU A 73 6.337 -2.507 -2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.022 -2.083 0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.680 -3.696 -0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.763 -3.526 0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.201 -1.021 -0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.009 -2.418 0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.518 -1.855 -1.120 1.00 0.00 H new ATOM 961 N GLU A 74 9.834 -5.784 -3.638 1.00 0.00 N ATOM 962 CA GLU A 74 10.757 -6.866 -3.792 1.00 0.00 C ATOM 963 C GLU A 74 12.010 -6.515 -3.068 1.00 0.00 C ATOM 964 O GLU A 74 12.654 -5.506 -3.355 1.00 0.00 O ATOM 965 CB GLU A 74 11.034 -7.127 -5.282 1.00 0.00 C ATOM 966 CG GLU A 74 9.783 -7.527 -6.067 1.00 0.00 C ATOM 967 CD GLU A 74 9.968 -7.473 -7.577 1.00 0.00 C ATOM 968 OE1 GLU A 74 10.516 -6.459 -8.086 1.00 0.00 O ATOM 969 OE2 GLU A 74 9.530 -8.416 -8.289 1.00 0.00 O ATOM 0 H GLU A 74 9.847 -5.144 -4.432 1.00 0.00 H new ATOM 0 HA GLU A 74 10.338 -7.782 -3.374 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.463 -6.230 -5.728 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.780 -7.916 -5.373 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.492 -8.538 -5.781 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.962 -6.868 -5.786 1.00 0.00 H new ATOM 976 N GLY A 75 12.382 -7.303 -2.043 1.00 0.00 N ATOM 977 CA GLY A 75 13.507 -7.055 -1.197 1.00 0.00 C ATOM 978 C GLY A 75 13.319 -5.997 -0.164 1.00 0.00 C ATOM 979 O GLY A 75 14.283 -5.594 0.486 1.00 0.00 O ATOM 0 H GLY A 75 11.875 -8.152 -1.793 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.772 -7.985 -0.694 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.355 -6.779 -1.823 1.00 0.00 H new ATOM 983 N ALA A 76 12.083 -5.503 0.029 1.00 0.00 N ATOM 984 CA ALA A 76 11.791 -4.442 0.941 1.00 0.00 C ATOM 985 C ALA A 76 11.515 -4.931 2.321 1.00 0.00 C ATOM 986 O ALA A 76 10.892 -5.966 2.550 1.00 0.00 O ATOM 987 CB ALA A 76 10.656 -3.544 0.422 1.00 0.00 C ATOM 0 H ALA A 76 11.262 -5.853 -0.465 1.00 0.00 H new ATOM 0 HA ALA A 76 12.692 -3.832 1.003 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.463 -2.749 1.142 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.946 -3.106 -0.533 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.753 -4.140 0.288 1.00 0.00 H new ATOM 993 N THR A 77 12.021 -4.192 3.325 1.00 0.00 N ATOM 994 CA THR A 77 11.968 -4.517 4.716 1.00 0.00 C ATOM 995 C THR A 77 10.873 -3.737 5.361 1.00 0.00 C ATOM 996 O THR A 77 10.052 -3.110 4.692 1.00 0.00 O ATOM 997 CB THR A 77 13.242 -4.190 5.436 1.00 0.00 C ATOM 998 OG1 THR A 77 13.540 -2.803 5.503 1.00 0.00 O ATOM 999 CG2 THR A 77 14.453 -4.814 4.723 1.00 0.00 C ATOM 0 H THR A 77 12.499 -3.308 3.151 1.00 0.00 H new ATOM 0 HA THR A 77 11.799 -5.592 4.783 1.00 0.00 H new ATOM 0 HB THR A 77 13.077 -4.584 6.439 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.382 -2.672 5.987 1.00 0.00 H new ATOM 0 HG21 THR A 77 15.364 -4.562 5.265 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.338 -5.897 4.691 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.517 -4.426 3.706 1.00 0.00 H new ATOM 1007 N HIS A 78 10.857 -3.663 6.703 1.00 0.00 N ATOM 1008 CA HIS A 78 10.085 -2.699 7.424 1.00 0.00 C ATOM 1009 C HIS A 78 10.463 -1.297 7.092 1.00 0.00 C ATOM 1010 O HIS A 78 9.614 -0.519 6.661 1.00 0.00 O ATOM 1011 CB HIS A 78 10.183 -2.907 8.945 1.00 0.00 C ATOM 1012 CG HIS A 78 9.539 -1.820 9.754 1.00 0.00 C ATOM 1013 ND1 HIS A 78 8.190 -1.575 9.774 1.00 0.00 N ATOM 1014 CD2 HIS A 78 10.138 -0.795 10.417 1.00 0.00 C ATOM 1015 CE1 HIS A 78 7.975 -0.444 10.421 1.00 0.00 C ATOM 1016 NE2 HIS A 78 9.133 0.039 10.831 1.00 0.00 N ATOM 0 H HIS A 78 11.394 -4.289 7.303 1.00 0.00 H new ATOM 0 HA HIS A 78 9.054 -2.858 7.109 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.719 -3.859 9.201 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.234 -2.979 9.224 1.00 0.00 H new ATOM 0 HD2 HIS A 78 11.197 -0.664 10.584 1.00 0.00 H new ATOM 0 HE1 HIS A 78 7.010 0.011 10.587 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.259 0.896 11.370 1.00 0.00 H new ATOM 1025 N LYS A 79 11.738 -0.907 7.270 1.00 0.00 N ATOM 1026 CA LYS A 79 12.205 0.413 6.976 1.00 0.00 C ATOM 1027 C LYS A 79 12.101 0.758 5.530 1.00 0.00 C ATOM 1028 O LYS A 79 11.648 1.840 5.159 1.00 0.00 O ATOM 1029 CB LYS A 79 13.663 0.606 7.428 1.00 0.00 C ATOM 1030 CG LYS A 79 14.173 2.034 7.221 1.00 0.00 C ATOM 1031 CD LYS A 79 15.608 2.257 7.703 1.00 0.00 C ATOM 1032 CE LYS A 79 16.075 3.676 7.369 1.00 0.00 C ATOM 1033 NZ LYS A 79 17.446 3.922 7.870 1.00 0.00 N ATOM 0 H LYS A 79 12.465 -1.527 7.628 1.00 0.00 H new ATOM 0 HA LYS A 79 11.552 1.083 7.534 1.00 0.00 H new ATOM 0 HB2 LYS A 79 13.747 0.346 8.483 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.302 -0.085 6.878 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.114 2.280 6.161 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.513 2.725 7.746 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.665 2.094 8.779 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.272 1.530 7.234 1.00 0.00 H new ATOM 0 HE2 LYS A 79 16.047 3.826 6.290 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.389 4.400 7.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.735 4.891 7.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 17.465 3.802 8.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 18.103 3.246 7.431 1.00 0.00 H new ATOM 1047 N GLN A 80 12.486 -0.169 4.636 1.00 0.00 N ATOM 1048 CA GLN A 80 12.415 0.029 3.221 1.00 0.00 C ATOM 1049 C GLN A 80 11.023 0.188 2.713 1.00 0.00 C ATOM 1050 O GLN A 80 10.768 1.007 1.831 1.00 0.00 O ATOM 1051 CB GLN A 80 13.153 -1.119 2.512 1.00 0.00 C ATOM 1052 CG GLN A 80 14.177 -0.647 1.477 1.00 0.00 C ATOM 1053 CD GLN A 80 14.992 -1.837 0.991 1.00 0.00 C ATOM 1054 OE1 GLN A 80 15.884 -2.322 1.685 1.00 0.00 O ATOM 1055 NE2 GLN A 80 14.650 -2.357 -0.219 1.00 0.00 N ATOM 0 H GLN A 80 12.857 -1.081 4.903 1.00 0.00 H new ATOM 0 HA GLN A 80 12.907 0.975 2.993 1.00 0.00 H new ATOM 0 HB2 GLN A 80 13.660 -1.729 3.259 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.422 -1.760 2.020 1.00 0.00 H new ATOM 0 HG2 GLN A 80 13.669 -0.173 0.637 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.835 0.103 1.916 1.00 0.00 H new ATOM 0 HE21 GLN A 80 13.904 -1.927 -0.766 1.00 0.00 H new ATOM 0 HE22 GLN A 80 15.139 -3.177 -0.579 1.00 0.00 H new ATOM 1064 N ALA A 81 10.038 -0.541 3.268 1.00 0.00 N ATOM 1065 CA ALA A 81 8.655 -0.315 2.982 1.00 0.00 C ATOM 1066 C ALA A 81 8.144 1.031 3.368 1.00 0.00 C ATOM 1067 O ALA A 81 7.379 1.633 2.617 1.00 0.00 O ATOM 1068 CB ALA A 81 7.794 -1.371 3.696 1.00 0.00 C ATOM 0 H ALA A 81 10.205 -1.301 3.927 1.00 0.00 H new ATOM 0 HA ALA A 81 8.579 -0.384 1.897 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.742 -1.193 3.474 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.075 -2.365 3.349 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.954 -1.304 4.772 1.00 0.00 H new ATOM 1074 N VAL A 82 8.578 1.575 4.518 1.00 0.00 N ATOM 1075 CA VAL A 82 8.252 2.907 4.924 1.00 0.00 C ATOM 1076 C VAL A 82 8.683 3.920 3.921 1.00 0.00 C ATOM 1077 O VAL A 82 7.847 4.673 3.425 1.00 0.00 O ATOM 1078 CB VAL A 82 8.809 3.308 6.258 1.00 0.00 C ATOM 1079 CG1 VAL A 82 8.551 4.785 6.598 1.00 0.00 C ATOM 1080 CG2 VAL A 82 8.154 2.447 7.352 1.00 0.00 C ATOM 0 H VAL A 82 9.170 1.077 5.183 1.00 0.00 H new ATOM 0 HA VAL A 82 7.165 2.887 5.007 1.00 0.00 H new ATOM 0 HB VAL A 82 9.888 3.158 6.210 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.978 5.013 7.575 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.015 5.419 5.842 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.477 4.971 6.619 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.553 2.731 8.326 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.075 2.604 7.341 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.369 1.395 7.165 1.00 0.00 H new ATOM 1090 N GLU A 83 9.960 3.935 3.495 1.00 0.00 N ATOM 1091 CA GLU A 83 10.454 4.845 2.509 1.00 0.00 C ATOM 1092 C GLU A 83 9.743 4.784 1.201 1.00 0.00 C ATOM 1093 O GLU A 83 9.475 5.811 0.578 1.00 0.00 O ATOM 1094 CB GLU A 83 11.955 4.637 2.247 1.00 0.00 C ATOM 1095 CG GLU A 83 12.842 4.852 3.474 1.00 0.00 C ATOM 1096 CD GLU A 83 14.325 4.896 3.134 1.00 0.00 C ATOM 1097 OE1 GLU A 83 14.699 4.840 1.932 1.00 0.00 O ATOM 1098 OE2 GLU A 83 15.148 5.055 4.075 1.00 0.00 O ATOM 0 H GLU A 83 10.670 3.294 3.848 1.00 0.00 H new ATOM 0 HA GLU A 83 10.269 5.828 2.943 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.110 3.625 1.873 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.273 5.320 1.459 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.559 5.785 3.962 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.663 4.050 4.190 1.00 0.00 H new ATOM 1105 N THR A 84 9.365 3.567 0.774 1.00 0.00 N ATOM 1106 CA THR A 84 8.646 3.247 -0.421 1.00 0.00 C ATOM 1107 C THR A 84 7.267 3.809 -0.447 1.00 0.00 C ATOM 1108 O THR A 84 6.744 4.142 -1.509 1.00 0.00 O ATOM 1109 CB THR A 84 8.661 1.767 -0.668 1.00 0.00 C ATOM 1110 OG1 THR A 84 10.001 1.299 -0.704 1.00 0.00 O ATOM 1111 CG2 THR A 84 8.058 1.322 -2.011 1.00 0.00 C ATOM 0 H THR A 84 9.583 2.731 1.316 1.00 0.00 H new ATOM 0 HA THR A 84 9.168 3.733 -1.245 1.00 0.00 H new ATOM 0 HB THR A 84 8.061 1.360 0.146 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.403 1.389 0.185 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.116 0.237 -2.094 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.015 1.635 -2.063 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.615 1.779 -2.829 1.00 0.00 H new ATOM 1119 N LEU A 85 6.604 3.978 0.711 1.00 0.00 N ATOM 1120 CA LEU A 85 5.361 4.675 0.822 1.00 0.00 C ATOM 1121 C LEU A 85 5.512 6.140 1.048 1.00 0.00 C ATOM 1122 O LEU A 85 4.794 6.970 0.492 1.00 0.00 O ATOM 1123 CB LEU A 85 4.591 4.147 2.045 1.00 0.00 C ATOM 1124 CG LEU A 85 4.165 2.674 1.927 1.00 0.00 C ATOM 1125 CD1 LEU A 85 3.895 2.059 3.311 1.00 0.00 C ATOM 1126 CD2 LEU A 85 2.955 2.460 1.001 1.00 0.00 C ATOM 0 H LEU A 85 6.946 3.616 1.601 1.00 0.00 H new ATOM 0 HA LEU A 85 4.848 4.509 -0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.213 4.265 2.932 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.703 4.761 2.195 1.00 0.00 H new ATOM 0 HG LEU A 85 5.008 2.159 1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.596 1.017 3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.801 2.111 3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.097 2.612 3.806 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.709 1.399 0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.100 3.018 1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.198 2.812 -0.002 1.00 0.00 H new ATOM 1138 N ARG A 86 6.444 6.503 1.946 1.00 0.00 N ATOM 1139 CA ARG A 86 6.539 7.780 2.583 1.00 0.00 C ATOM 1140 C ARG A 86 7.209 8.838 1.775 1.00 0.00 C ATOM 1141 O ARG A 86 6.663 9.932 1.636 1.00 0.00 O ATOM 1142 CB ARG A 86 7.252 7.559 3.927 1.00 0.00 C ATOM 1143 CG ARG A 86 7.187 8.736 4.901 1.00 0.00 C ATOM 1144 CD ARG A 86 8.584 9.352 5.000 1.00 0.00 C ATOM 1145 NE ARG A 86 8.555 10.502 5.947 1.00 0.00 N ATOM 1146 CZ ARG A 86 8.374 10.438 7.299 1.00 0.00 C ATOM 1147 NH1 ARG A 86 8.248 9.265 7.984 1.00 0.00 N ATOM 1148 NH2 ARG A 86 8.315 11.609 7.996 1.00 0.00 N ATOM 0 H ARG A 86 7.179 5.863 2.247 1.00 0.00 H new ATOM 0 HA ARG A 86 5.530 8.169 2.718 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.818 6.684 4.411 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.299 7.328 3.731 1.00 0.00 H new ATOM 0 HG2 ARG A 86 6.468 9.478 4.553 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.849 8.400 5.881 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.299 8.604 5.342 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.916 9.685 4.017 1.00 0.00 H new ATOM 0 HE ARG A 86 8.683 11.431 5.545 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.287 8.376 7.485 1.00 0.00 H new ATOM 0 HH12 ARG A 86 8.114 9.277 8.995 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.405 12.499 7.506 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.181 11.595 9.007 1.00 0.00 H new ATOM 1162 N ASN A 87 8.386 8.556 1.187 1.00 0.00 N ATOM 1163 CA ASN A 87 9.241 9.523 0.570 1.00 0.00 C ATOM 1164 C ASN A 87 8.830 9.890 -0.814 1.00 0.00 C ATOM 1165 O ASN A 87 9.597 10.427 -1.612 1.00 0.00 O ATOM 1166 CB ASN A 87 10.694 9.026 0.474 1.00 0.00 C ATOM 1167 CG ASN A 87 11.359 8.704 1.804 1.00 0.00 C ATOM 1168 OD1 ASN A 87 10.814 8.716 2.907 1.00 0.00 O ATOM 1169 ND2 ASN A 87 12.675 8.376 1.701 1.00 0.00 N ATOM 0 H ASN A 87 8.759 7.608 1.140 1.00 0.00 H new ATOM 0 HA ASN A 87 9.159 10.395 1.219 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.715 8.132 -0.150 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.287 9.785 -0.036 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.209 8.140 2.538 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.128 8.366 0.787 1.00 0.00 H new ATOM 1176 N THR A 88 7.559 9.605 -1.147 1.00 0.00 N ATOM 1177 CA THR A 88 6.933 9.723 -2.427 1.00 0.00 C ATOM 1178 C THR A 88 6.423 11.100 -2.676 1.00 0.00 C ATOM 1179 O THR A 88 6.517 11.979 -1.820 1.00 0.00 O ATOM 1180 CB THR A 88 5.844 8.696 -2.518 1.00 0.00 C ATOM 1181 OG1 THR A 88 4.843 8.896 -1.531 1.00 0.00 O ATOM 1182 CG2 THR A 88 6.463 7.322 -2.208 1.00 0.00 C ATOM 0 H THR A 88 6.905 9.256 -0.446 1.00 0.00 H new ATOM 0 HA THR A 88 7.671 9.539 -3.208 1.00 0.00 H new ATOM 0 HB THR A 88 5.404 8.766 -3.513 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.894 8.180 -0.864 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.692 6.554 -2.267 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.248 7.105 -2.932 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.888 7.333 -1.205 1.00 0.00 H new ATOM 1190 N GLY A 89 5.861 11.374 -3.868 1.00 0.00 N ATOM 1191 CA GLY A 89 5.414 12.676 -4.258 1.00 0.00 C ATOM 1192 C GLY A 89 4.251 13.204 -3.491 1.00 0.00 C ATOM 1193 O GLY A 89 4.402 14.052 -2.611 1.00 0.00 O ATOM 0 H GLY A 89 5.713 10.664 -4.585 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.245 13.374 -4.154 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.150 12.650 -5.315 1.00 0.00 H new ATOM 1197 N GLN A 90 3.034 12.730 -3.809 1.00 0.00 N ATOM 1198 CA GLN A 90 1.856 13.009 -3.048 1.00 0.00 C ATOM 1199 C GLN A 90 0.874 11.908 -3.254 1.00 0.00 C ATOM 1200 O GLN A 90 0.425 11.287 -2.292 1.00 0.00 O ATOM 1201 CB GLN A 90 1.230 14.370 -3.396 1.00 0.00 C ATOM 1202 CG GLN A 90 0.055 14.754 -2.495 1.00 0.00 C ATOM 1203 CD GLN A 90 -0.413 16.179 -2.750 1.00 0.00 C ATOM 1204 OE1 GLN A 90 -0.489 16.638 -3.888 1.00 0.00 O ATOM 1205 NE2 GLN A 90 -0.767 16.916 -1.664 1.00 0.00 N ATOM 0 H GLN A 90 2.864 12.135 -4.620 1.00 0.00 H new ATOM 0 HA GLN A 90 2.140 13.067 -1.997 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.997 15.141 -3.327 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.891 14.350 -4.432 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.772 14.065 -2.664 1.00 0.00 H new ATOM 0 HG3 GLN A 90 0.349 14.650 -1.451 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.695 16.514 -0.729 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.104 17.871 -1.784 1.00 0.00 H new ATOM 1214 N VAL A 91 0.528 11.594 -4.515 1.00 0.00 N ATOM 1215 CA VAL A 91 -0.244 10.433 -4.835 1.00 0.00 C ATOM 1216 C VAL A 91 0.573 9.195 -4.701 1.00 0.00 C ATOM 1217 O VAL A 91 1.661 9.050 -5.257 1.00 0.00 O ATOM 1218 CB VAL A 91 -0.892 10.409 -6.187 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -1.624 9.086 -6.463 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -1.897 11.571 -6.264 1.00 0.00 C ATOM 0 H VAL A 91 0.788 12.155 -5.326 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.055 10.477 -4.108 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.110 10.509 -6.940 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.076 9.120 -7.454 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.914 8.261 -6.416 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.402 8.938 -5.715 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.380 11.571 -7.241 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.652 11.451 -5.487 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.373 12.516 -6.119 1.00 0.00 H new ATOM 1230 N VAL A 92 0.010 8.244 -3.934 1.00 0.00 N ATOM 1231 CA VAL A 92 0.423 6.877 -3.852 1.00 0.00 C ATOM 1232 C VAL A 92 -0.718 6.035 -4.311 1.00 0.00 C ATOM 1233 O VAL A 92 -1.767 5.940 -3.675 1.00 0.00 O ATOM 1234 CB VAL A 92 0.854 6.529 -2.459 1.00 0.00 C ATOM 1235 CG1 VAL A 92 2.280 7.070 -2.265 1.00 0.00 C ATOM 1236 CG2 VAL A 92 -0.133 7.102 -1.428 1.00 0.00 C ATOM 0 H VAL A 92 -0.788 8.445 -3.331 1.00 0.00 H new ATOM 0 HA VAL A 92 1.289 6.698 -4.489 1.00 0.00 H new ATOM 0 HB VAL A 92 0.856 5.449 -2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.625 6.833 -1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.946 6.610 -2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.281 8.151 -2.404 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.197 6.839 -0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.171 8.187 -1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.125 6.687 -1.604 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.555 5.371 -5.469 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.400 4.292 -5.876 1.00 0.00 C ATOM 1248 C HIS A 93 -0.967 3.074 -5.137 1.00 0.00 C ATOM 1249 O HIS A 93 -0.033 2.390 -5.551 1.00 0.00 O ATOM 1250 CB HIS A 93 -1.333 3.960 -7.376 1.00 0.00 C ATOM 1251 CG HIS A 93 -2.130 4.884 -8.249 1.00 0.00 C ATOM 1252 ND1 HIS A 93 -1.618 6.113 -8.613 1.00 0.00 N ATOM 1253 CD2 HIS A 93 -3.361 4.701 -8.796 1.00 0.00 C ATOM 1254 CE1 HIS A 93 -2.559 6.672 -9.351 1.00 0.00 C ATOM 1255 NE2 HIS A 93 -3.630 5.850 -9.511 1.00 0.00 N ATOM 0 H HIS A 93 0.182 5.590 -6.139 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.423 4.601 -5.661 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -0.291 3.986 -7.696 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -1.688 2.940 -7.527 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -3.997 3.835 -8.692 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -2.487 7.662 -9.776 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -4.471 6.045 -10.055 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.606 2.750 -3.999 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.322 1.546 -3.283 1.00 0.00 C ATOM 1265 C LEU A 94 -1.871 0.329 -3.946 1.00 0.00 C ATOM 1266 O LEU A 94 -3.083 0.153 -4.065 1.00 0.00 O ATOM 1267 CB LEU A 94 -1.829 1.576 -1.832 1.00 0.00 C ATOM 1268 CG LEU A 94 -0.697 1.889 -0.840 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -1.256 2.566 0.422 1.00 0.00 C ATOM 1270 CD2 LEU A 94 0.088 0.611 -0.496 1.00 0.00 C ATOM 0 H LEU A 94 -2.328 3.330 -3.571 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.233 1.491 -3.281 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.614 2.326 -1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.275 0.613 -1.583 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.004 2.587 -1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.440 2.780 1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.751 3.497 0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.974 1.902 0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.885 0.852 0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.585 -0.119 -0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.520 0.194 -1.405 1.00 0.00 H new ATOM 1282 N LEU A 95 -0.988 -0.596 -4.363 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.372 -1.911 -4.773 1.00 0.00 C ATOM 1284 C LEU A 95 -1.443 -2.776 -3.562 1.00 0.00 C ATOM 1285 O LEU A 95 -0.441 -3.311 -3.090 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.381 -2.495 -5.794 1.00 0.00 C ATOM 1287 CG LEU A 95 -0.739 -2.380 -7.286 1.00 0.00 C ATOM 1288 CD1 LEU A 95 0.477 -2.845 -8.104 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -1.952 -3.236 -7.686 1.00 0.00 C ATOM 0 H LEU A 95 0.016 -0.426 -4.416 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.345 -1.865 -5.263 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.582 -2.008 -5.642 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.245 -3.551 -5.562 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.000 -1.340 -7.484 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.249 -2.773 -9.167 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.334 -2.213 -7.873 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.711 -3.879 -7.852 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.151 -3.110 -8.750 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.741 -4.285 -7.478 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.824 -2.921 -7.113 1.00 0.00 H new ATOM 1301 N LEU A 96 -2.670 -2.902 -3.026 1.00 0.00 N ATOM 1302 CA LEU A 96 -3.092 -3.719 -1.931 1.00 0.00 C ATOM 1303 C LEU A 96 -3.841 -4.921 -2.397 1.00 0.00 C ATOM 1304 O LEU A 96 -4.771 -4.822 -3.197 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.067 -2.934 -1.039 1.00 0.00 C ATOM 1306 CG LEU A 96 -3.374 -1.938 -0.094 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.293 -0.733 0.163 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -2.972 -2.666 1.199 1.00 0.00 C ATOM 0 H LEU A 96 -3.453 -2.369 -3.406 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.189 -4.015 -1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.769 -2.392 -1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.651 -3.638 -0.446 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.464 -1.548 -0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.795 -0.032 0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.515 -0.237 -0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.222 -1.075 0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.480 -1.965 1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.862 -3.069 1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.288 -3.481 0.960 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.478 -6.120 -1.909 1.00 0.00 N ATOM 1321 CA GLU A 97 -4.166 -7.341 -2.189 1.00 0.00 C ATOM 1322 C GLU A 97 -4.951 -7.775 -0.999 1.00 0.00 C ATOM 1323 O GLU A 97 -4.517 -7.657 0.145 1.00 0.00 O ATOM 1324 CB GLU A 97 -3.155 -8.430 -2.587 1.00 0.00 C ATOM 1325 CG GLU A 97 -3.719 -9.816 -2.901 1.00 0.00 C ATOM 1326 CD GLU A 97 -2.612 -10.801 -3.248 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -1.415 -10.410 -3.302 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -2.936 -12.005 -3.437 1.00 0.00 O ATOM 0 H GLU A 97 -2.673 -6.244 -1.295 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.855 -7.178 -3.018 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.607 -8.081 -3.462 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.432 -8.533 -1.778 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.280 -10.185 -2.043 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.419 -9.745 -3.733 1.00 0.00 H new ATOM 1335 N LYS A 98 -6.167 -8.291 -1.255 1.00 0.00 N ATOM 1336 CA LYS A 98 -7.121 -8.680 -0.263 1.00 0.00 C ATOM 1337 C LYS A 98 -6.723 -9.908 0.482 1.00 0.00 C ATOM 1338 O LYS A 98 -6.696 -11.014 -0.055 1.00 0.00 O ATOM 1339 CB LYS A 98 -8.489 -8.913 -0.925 1.00 0.00 C ATOM 1340 CG LYS A 98 -9.679 -9.000 0.033 1.00 0.00 C ATOM 1341 CD LYS A 98 -10.081 -7.633 0.591 1.00 0.00 C ATOM 1342 CE LYS A 98 -11.335 -7.681 1.467 1.00 0.00 C ATOM 1343 NZ LYS A 98 -11.773 -6.313 1.828 1.00 0.00 N ATOM 0 H LYS A 98 -6.502 -8.445 -2.206 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.172 -7.866 0.460 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.673 -8.104 -1.632 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.441 -9.837 -1.502 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.529 -9.441 -0.487 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.429 -9.667 0.858 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.254 -7.229 1.175 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.251 -6.946 -0.238 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.136 -8.197 0.937 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.131 -8.254 2.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.387 -6.355 2.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.941 -5.726 2.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -12.299 -5.896 1.034 1.00 0.00 H new ATOM 1434 N LEU B 206 8.061 -3.660 15.417 1.00 0.00 N ATOM 1435 CA LEU B 206 8.300 -2.885 14.240 1.00 0.00 C ATOM 1436 C LEU B 206 7.412 -1.688 14.204 1.00 0.00 C ATOM 1437 O LEU B 206 7.470 -0.875 15.125 1.00 0.00 O ATOM 1438 CB LEU B 206 8.300 -3.721 12.948 1.00 0.00 C ATOM 1439 CG LEU B 206 7.063 -4.508 12.483 1.00 0.00 C ATOM 1440 CD1 LEU B 206 7.498 -5.268 11.219 1.00 0.00 C ATOM 1441 CD2 LEU B 206 6.545 -5.532 13.507 1.00 0.00 C ATOM 0 HA LEU B 206 9.321 -2.507 14.294 1.00 0.00 H new ATOM 0 HB2 LEU B 206 8.564 -3.044 12.136 1.00 0.00 H new ATOM 0 HB3 LEU B 206 9.113 -4.441 13.040 1.00 0.00 H new ATOM 0 HG LEU B 206 6.247 -3.803 12.324 1.00 0.00 H new ATOM 0 HD11 LEU B 206 6.659 -5.850 10.837 1.00 0.00 H new ATOM 0 HD12 LEU B 206 7.821 -4.556 10.459 1.00 0.00 H new ATOM 0 HD13 LEU B 206 8.323 -5.938 11.463 1.00 0.00 H new ATOM 0 HD21 LEU B 206 5.672 -6.043 13.101 1.00 0.00 H new ATOM 0 HD22 LEU B 206 7.326 -6.262 13.719 1.00 0.00 H new ATOM 0 HD23 LEU B 206 6.269 -5.018 14.428 1.00 0.00 H new ATOM 1453 N VAL B 207 6.581 -1.530 13.159 1.00 0.00 N ATOM 1454 CA VAL B 207 5.538 -0.563 13.013 1.00 0.00 C ATOM 1455 C VAL B 207 5.951 0.865 12.912 1.00 0.00 C ATOM 1456 O VAL B 207 6.805 1.394 13.622 1.00 0.00 O ATOM 1457 CB VAL B 207 4.261 -0.790 13.767 1.00 0.00 C ATOM 1458 CG1 VAL B 207 3.599 -2.085 13.268 1.00 0.00 C ATOM 1459 CG2 VAL B 207 4.436 -0.817 15.295 1.00 0.00 C ATOM 0 H VAL B 207 6.647 -2.136 12.342 1.00 0.00 H new ATOM 0 HA VAL B 207 5.243 -0.811 11.994 1.00 0.00 H new ATOM 0 HB VAL B 207 3.616 0.065 13.566 1.00 0.00 H new ATOM 0 HG11 VAL B 207 2.671 -2.253 13.814 1.00 0.00 H new ATOM 0 HG12 VAL B 207 3.383 -1.996 12.203 1.00 0.00 H new ATOM 0 HG13 VAL B 207 4.274 -2.925 13.432 1.00 0.00 H new ATOM 0 HG21 VAL B 207 3.469 -0.985 15.769 1.00 0.00 H new ATOM 0 HG22 VAL B 207 5.119 -1.621 15.569 1.00 0.00 H new ATOM 0 HG23 VAL B 207 4.844 0.136 15.631 1.00 0.00 H new ATOM 1469 N THR B 208 5.346 1.539 11.918 1.00 0.00 N ATOM 1470 CA THR B 208 5.563 2.919 11.610 1.00 0.00 C ATOM 1471 C THR B 208 4.266 3.303 10.983 1.00 0.00 C ATOM 1472 O THR B 208 3.851 2.624 10.046 1.00 0.00 O ATOM 1473 CB THR B 208 6.612 3.182 10.572 1.00 0.00 C ATOM 1474 OG1 THR B 208 7.862 2.622 10.947 1.00 0.00 O ATOM 1475 CG2 THR B 208 6.860 4.686 10.360 1.00 0.00 C ATOM 0 H THR B 208 4.669 1.097 11.296 1.00 0.00 H new ATOM 0 HA THR B 208 5.884 3.450 12.506 1.00 0.00 H new ATOM 0 HB THR B 208 6.231 2.727 9.658 1.00 0.00 H new ATOM 0 HG1 THR B 208 8.588 3.160 10.568 1.00 0.00 H new ATOM 0 HG21 THR B 208 7.628 4.824 9.599 1.00 0.00 H new ATOM 0 HG22 THR B 208 5.936 5.165 10.035 1.00 0.00 H new ATOM 0 HG23 THR B 208 7.192 5.136 11.296 1.00 0.00 H new ATOM 1483 N SER B 209 3.592 4.356 11.482 1.00 0.00 N ATOM 1484 CA SER B 209 2.456 4.960 10.861 1.00 0.00 C ATOM 1485 C SER B 209 2.932 5.805 9.730 1.00 0.00 C ATOM 1486 O SER B 209 3.843 6.617 9.886 1.00 0.00 O ATOM 1487 CB SER B 209 1.559 5.763 11.818 1.00 0.00 C ATOM 1488 OG SER B 209 2.238 6.828 12.467 1.00 0.00 O ATOM 0 H SER B 209 3.853 4.806 12.359 1.00 0.00 H new ATOM 0 HA SER B 209 1.815 4.155 10.501 1.00 0.00 H new ATOM 0 HB2 SER B 209 0.715 6.167 11.260 1.00 0.00 H new ATOM 0 HB3 SER B 209 1.150 5.090 12.572 1.00 0.00 H new ATOM 0 HG SER B 209 1.616 7.300 13.059 1.00 0.00 H new ATOM 1494 N VAL B 210 2.394 5.598 8.515 1.00 0.00 N ATOM 1495 CA VAL B 210 2.993 6.041 7.294 1.00 0.00 C ATOM 1496 C VAL B 210 1.809 6.109 6.339 1.00 0.00 C ATOM 1497 O VAL B 210 0.711 5.586 6.667 1.00 0.00 O ATOM 1498 CB VAL B 210 4.087 5.124 6.833 1.00 0.00 C ATOM 1499 CG1 VAL B 210 3.602 3.673 6.675 1.00 0.00 C ATOM 1500 CG2 VAL B 210 4.693 5.626 5.513 1.00 0.00 C ATOM 1501 OXT VAL B 210 1.945 6.787 5.286 1.00 0.00 O ATOM 0 H VAL B 210 1.512 5.105 8.378 1.00 0.00 H new ATOM 0 HA VAL B 210 3.504 7.000 7.382 1.00 0.00 H new ATOM 0 HB VAL B 210 4.855 5.130 7.606 1.00 0.00 H new ATOM 0 HG11 VAL B 210 4.429 3.047 6.340 1.00 0.00 H new ATOM 0 HG12 VAL B 210 3.235 3.306 7.633 1.00 0.00 H new ATOM 0 HG13 VAL B 210 2.798 3.636 5.940 1.00 0.00 H new ATOM 0 HG21 VAL B 210 5.485 4.948 5.195 1.00 0.00 H new ATOM 0 HG22 VAL B 210 3.918 5.663 4.748 1.00 0.00 H new ATOM 0 HG23 VAL B 210 5.107 6.624 5.659 1.00 0.00 H new