USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 825 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 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 31 GLN :FLIP amide:sc= -3.51 F(o=-5.6!,f=-3.5) USER MOD Single : A 2 MET CE :methyl -166:sc= -4.44! (180deg=-5.17!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 174:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -156:sc= -1.21 (180deg=-2.94!) USER MOD Single : A 13 LYS NZ :NH3+ -160:sc= -0.0565 (180deg=-0.37) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -6.08! C(o=-6.1!,f=-9.7!) USER MOD Single : A 27 LYS NZ :NH3+ -107:sc= -1.77 (180deg=-4.5!) USER MOD Single : A 32 MET CE :methyl 155:sc= -0.211 (180deg=-0.966) USER MOD Single : A 36 LYS NZ :NH3+ 145:sc= 0 (180deg=-0.101) USER MOD Single : A 37 LYS NZ :NH3+ 165:sc= -2.8! (180deg=-3.74!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -166:sc= -0.0334 (180deg=-0.234) USER MOD Single : A 48 HIS : no HD1:sc= -1.85! C(o=-1.8!,f=-4.1!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -140:sc= -0.354 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 47:sc= 0.982 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 91:sc= 1.07 USER MOD Single : A 86 MET CE :methyl 162:sc= -6.34! (180deg=-7.54!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.976) USER MOD Single : A 103 SER OG : rot -99:sc= 0.974 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 28:sc= -0.864 USER MOD ----------------------------------------------------------------- ATOM 14 N MET A 2 5.731 -7.562 6.291 1.00 0.00 N ATOM 15 CA MET A 2 5.660 -8.551 5.221 1.00 0.00 C ATOM 16 C MET A 2 7.023 -8.765 4.578 1.00 0.00 C ATOM 17 O MET A 2 7.245 -8.392 3.425 1.00 0.00 O ATOM 18 CB MET A 2 4.648 -8.125 4.165 1.00 0.00 C ATOM 19 CG MET A 2 4.305 -9.242 3.202 1.00 0.00 C ATOM 20 SD MET A 2 2.843 -10.176 3.694 1.00 0.00 S ATOM 21 CE MET A 2 3.340 -10.801 5.298 1.00 0.00 C ATOM 0 HA MET A 2 5.337 -9.494 5.662 1.00 0.00 H new ATOM 0 HB2 MET A 2 3.738 -7.782 4.657 1.00 0.00 H new ATOM 0 HB3 MET A 2 5.046 -7.278 3.606 1.00 0.00 H new ATOM 0 HG2 MET A 2 4.143 -8.821 2.210 1.00 0.00 H new ATOM 0 HG3 MET A 2 5.154 -9.921 3.125 1.00 0.00 H new ATOM 0 HE1 MET A 2 2.653 -11.587 5.611 1.00 0.00 H new ATOM 0 HE2 MET A 2 4.350 -11.206 5.234 1.00 0.00 H new ATOM 0 HE3 MET A 2 3.320 -9.990 6.027 1.00 0.00 H new ATOM 31 N THR A 3 7.934 -9.368 5.332 1.00 0.00 N ATOM 32 CA THR A 3 9.276 -9.648 4.837 1.00 0.00 C ATOM 33 C THR A 3 9.318 -11.014 4.158 1.00 0.00 C ATOM 34 O THR A 3 10.153 -11.262 3.288 1.00 0.00 O ATOM 35 CB THR A 3 10.315 -9.616 5.973 1.00 0.00 C ATOM 36 OG1 THR A 3 9.957 -10.560 6.991 1.00 0.00 O ATOM 37 CG2 THR A 3 10.414 -8.226 6.579 1.00 0.00 C ATOM 0 H THR A 3 7.767 -9.673 6.291 1.00 0.00 H new ATOM 0 HA THR A 3 9.525 -8.870 4.116 1.00 0.00 H new ATOM 0 HB THR A 3 11.285 -9.882 5.554 1.00 0.00 H new ATOM 0 HG1 THR A 3 10.623 -10.535 7.709 1.00 0.00 H new ATOM 0 HG21 THR A 3 11.154 -8.230 7.379 1.00 0.00 H new ATOM 0 HG22 THR A 3 10.714 -7.514 5.810 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.444 -7.935 6.983 1.00 0.00 H new ATOM 45 N ASP A 4 8.406 -11.895 4.564 1.00 0.00 N ATOM 46 CA ASP A 4 8.325 -13.236 3.998 1.00 0.00 C ATOM 47 C ASP A 4 7.866 -13.185 2.546 1.00 0.00 C ATOM 48 O ASP A 4 8.228 -14.040 1.739 1.00 0.00 O ATOM 49 CB ASP A 4 7.354 -14.092 4.815 1.00 0.00 C ATOM 50 CG ASP A 4 7.756 -14.187 6.273 1.00 0.00 C ATOM 51 OD1 ASP A 4 7.327 -13.320 7.065 1.00 0.00 O ATOM 52 OD2 ASP A 4 8.497 -15.128 6.626 1.00 0.00 O ATOM 0 H ASP A 4 7.711 -11.701 5.285 1.00 0.00 H new ATOM 0 HA ASP A 4 9.319 -13.681 4.033 1.00 0.00 H new ATOM 0 HB2 ASP A 4 6.352 -13.669 4.744 1.00 0.00 H new ATOM 0 HB3 ASP A 4 7.308 -15.094 4.387 1.00 0.00 H new ATOM 57 N LEU A 5 7.067 -12.174 2.224 1.00 0.00 N ATOM 58 CA LEU A 5 6.551 -12.008 0.871 1.00 0.00 C ATOM 59 C LEU A 5 7.317 -10.928 0.124 1.00 0.00 C ATOM 60 O LEU A 5 8.041 -11.207 -0.831 1.00 0.00 O ATOM 61 CB LEU A 5 5.062 -11.640 0.909 1.00 0.00 C ATOM 62 CG LEU A 5 4.144 -12.667 1.564 1.00 0.00 C ATOM 63 CD1 LEU A 5 4.218 -13.982 0.822 1.00 0.00 C ATOM 64 CD2 LEU A 5 4.503 -12.859 3.025 1.00 0.00 C ATOM 0 H LEU A 5 6.763 -11.457 2.882 1.00 0.00 H new ATOM 0 HA LEU A 5 6.679 -12.956 0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.954 -10.693 1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.721 -11.475 -0.113 1.00 0.00 H new ATOM 0 HG LEU A 5 3.121 -12.294 1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.558 -14.707 1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.907 -13.834 -0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.242 -14.355 0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.834 -13.596 3.470 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.532 -13.209 3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.400 -11.911 3.553 1.00 0.00 H new ATOM 76 N LEU A 6 7.155 -9.692 0.576 1.00 0.00 N ATOM 77 CA LEU A 6 7.810 -8.553 -0.042 1.00 0.00 C ATOM 78 C LEU A 6 9.282 -8.497 0.325 1.00 0.00 C ATOM 79 O LEU A 6 9.702 -9.046 1.344 1.00 0.00 O ATOM 80 CB LEU A 6 7.121 -7.271 0.397 1.00 0.00 C ATOM 81 CG LEU A 6 5.590 -7.264 0.313 1.00 0.00 C ATOM 82 CD1 LEU A 6 5.120 -5.880 -0.046 1.00 0.00 C ATOM 83 CD2 LEU A 6 5.046 -8.259 -0.705 1.00 0.00 C ATOM 0 H LEU A 6 6.569 -9.454 1.376 1.00 0.00 H new ATOM 0 HA LEU A 6 7.736 -8.661 -1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.409 -7.063 1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.502 -6.451 -0.212 1.00 0.00 H new ATOM 0 HG LEU A 6 5.212 -7.565 1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.032 -5.870 -0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.447 -5.175 0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.540 -5.592 -1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.957 -8.207 -0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.433 -8.016 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.358 -9.267 -0.431 1.00 0.00 H new ATOM 95 N SER A 7 10.066 -7.829 -0.510 1.00 0.00 N ATOM 96 CA SER A 7 11.490 -7.700 -0.262 1.00 0.00 C ATOM 97 C SER A 7 11.727 -6.830 0.967 1.00 0.00 C ATOM 98 O SER A 7 11.474 -5.626 0.944 1.00 0.00 O ATOM 99 CB SER A 7 12.190 -7.084 -1.468 1.00 0.00 C ATOM 100 OG SER A 7 11.758 -7.688 -2.675 1.00 0.00 O ATOM 0 H SER A 7 9.739 -7.371 -1.361 1.00 0.00 H new ATOM 0 HA SER A 7 11.901 -8.694 -0.087 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.988 -6.013 -1.501 1.00 0.00 H new ATOM 0 HB3 SER A 7 13.269 -7.202 -1.365 1.00 0.00 H new ATOM 0 HG SER A 7 12.146 -7.210 -3.437 1.00 0.00 H new ATOM 106 N ALA A 8 12.215 -7.444 2.040 1.00 0.00 N ATOM 107 CA ALA A 8 12.479 -6.722 3.277 1.00 0.00 C ATOM 108 C ALA A 8 13.406 -5.534 3.036 1.00 0.00 C ATOM 109 O ALA A 8 13.314 -4.513 3.719 1.00 0.00 O ATOM 110 CB ALA A 8 13.074 -7.658 4.317 1.00 0.00 C ATOM 0 H ALA A 8 12.435 -8.439 2.077 1.00 0.00 H new ATOM 0 HA ALA A 8 11.531 -6.336 3.652 1.00 0.00 H new ATOM 0 HB1 ALA A 8 13.266 -7.105 5.236 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.374 -8.468 4.520 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.009 -8.073 3.941 1.00 0.00 H new ATOM 116 N GLU A 9 14.293 -5.672 2.057 1.00 0.00 N ATOM 117 CA GLU A 9 15.243 -4.614 1.732 1.00 0.00 C ATOM 118 C GLU A 9 14.560 -3.468 0.988 1.00 0.00 C ATOM 119 O GLU A 9 14.722 -2.302 1.343 1.00 0.00 O ATOM 120 CB GLU A 9 16.392 -5.179 0.892 1.00 0.00 C ATOM 121 CG GLU A 9 16.012 -5.463 -0.552 1.00 0.00 C ATOM 122 CD GLU A 9 17.150 -6.074 -1.347 1.00 0.00 C ATOM 123 OE1 GLU A 9 17.969 -5.307 -1.896 1.00 0.00 O ATOM 124 OE2 GLU A 9 17.223 -7.319 -1.421 1.00 0.00 O ATOM 0 H GLU A 9 14.374 -6.506 1.475 1.00 0.00 H new ATOM 0 HA GLU A 9 15.643 -4.219 2.666 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.223 -4.473 0.908 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.748 -6.101 1.353 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.156 -6.138 -0.572 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.697 -4.535 -1.030 1.00 0.00 H new ATOM 131 N ASP A 10 13.791 -3.806 -0.041 1.00 0.00 N ATOM 132 CA ASP A 10 13.089 -2.801 -0.835 1.00 0.00 C ATOM 133 C ASP A 10 12.268 -1.881 0.050 1.00 0.00 C ATOM 134 O ASP A 10 12.374 -0.660 -0.025 1.00 0.00 O ATOM 135 CB ASP A 10 12.151 -3.489 -1.815 1.00 0.00 C ATOM 136 CG ASP A 10 12.894 -4.281 -2.872 1.00 0.00 C ATOM 137 OD1 ASP A 10 13.710 -5.151 -2.499 1.00 0.00 O ATOM 138 OD2 ASP A 10 12.661 -4.034 -4.074 1.00 0.00 O ATOM 0 H ASP A 10 13.637 -4.767 -0.346 1.00 0.00 H new ATOM 0 HA ASP A 10 13.836 -2.212 -1.367 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.485 -4.156 -1.268 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.525 -2.740 -2.300 1.00 0.00 H new ATOM 143 N ILE A 11 11.442 -2.492 0.881 1.00 0.00 N ATOM 144 CA ILE A 11 10.580 -1.763 1.791 1.00 0.00 C ATOM 145 C ILE A 11 11.385 -0.896 2.746 1.00 0.00 C ATOM 146 O ILE A 11 11.155 0.308 2.837 1.00 0.00 O ATOM 147 CB ILE A 11 9.716 -2.747 2.592 1.00 0.00 C ATOM 148 CG1 ILE A 11 8.907 -3.635 1.649 1.00 0.00 C ATOM 149 CG2 ILE A 11 8.796 -1.997 3.543 1.00 0.00 C ATOM 150 CD1 ILE A 11 8.037 -4.645 2.364 1.00 0.00 C ATOM 0 H ILE A 11 11.351 -3.506 0.943 1.00 0.00 H new ATOM 0 HA ILE A 11 9.941 -1.110 1.196 1.00 0.00 H new ATOM 0 HB ILE A 11 10.374 -3.383 3.184 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.277 -3.005 1.022 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.591 -4.163 0.985 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.191 -2.711 4.102 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.394 -1.406 4.237 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.143 -1.337 2.972 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.492 -5.240 1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.663 -5.300 2.970 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.328 -4.124 3.007 1.00 0.00 H new ATOM 162 N LYS A 12 12.336 -1.499 3.448 1.00 0.00 N ATOM 163 CA LYS A 12 13.163 -0.752 4.384 1.00 0.00 C ATOM 164 C LYS A 12 13.934 0.343 3.656 1.00 0.00 C ATOM 165 O LYS A 12 13.954 1.496 4.088 1.00 0.00 O ATOM 166 CB LYS A 12 14.130 -1.684 5.111 1.00 0.00 C ATOM 167 CG LYS A 12 13.510 -2.354 6.323 1.00 0.00 C ATOM 168 CD LYS A 12 14.299 -3.581 6.753 1.00 0.00 C ATOM 169 CE LYS A 12 15.501 -3.211 7.609 1.00 0.00 C ATOM 170 NZ LYS A 12 16.481 -2.370 6.868 1.00 0.00 N ATOM 0 H LYS A 12 12.552 -2.494 3.388 1.00 0.00 H new ATOM 0 HA LYS A 12 12.509 -0.288 5.122 1.00 0.00 H new ATOM 0 HB2 LYS A 12 14.478 -2.450 4.418 1.00 0.00 H new ATOM 0 HB3 LYS A 12 15.006 -1.116 5.425 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.464 -1.643 7.148 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.484 -2.643 6.094 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.648 -4.253 7.312 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.636 -4.124 5.870 1.00 0.00 H new ATOM 0 HE2 LYS A 12 15.162 -2.675 8.496 1.00 0.00 H new ATOM 0 HE3 LYS A 12 15.993 -4.120 7.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 17.422 -2.474 7.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 16.519 -2.675 5.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.188 -1.373 6.914 1.00 0.00 H new ATOM 184 N LYS A 13 14.562 -0.027 2.544 1.00 0.00 N ATOM 185 CA LYS A 13 15.332 0.924 1.752 1.00 0.00 C ATOM 186 C LYS A 13 14.433 2.014 1.190 1.00 0.00 C ATOM 187 O LYS A 13 14.679 3.200 1.384 1.00 0.00 O ATOM 188 CB LYS A 13 16.009 0.209 0.584 1.00 0.00 C ATOM 189 CG LYS A 13 17.013 -0.850 0.997 1.00 0.00 C ATOM 190 CD LYS A 13 17.275 -1.824 -0.139 1.00 0.00 C ATOM 191 CE LYS A 13 18.553 -2.616 0.091 1.00 0.00 C ATOM 192 NZ LYS A 13 19.763 -1.752 0.009 1.00 0.00 N ATOM 0 H LYS A 13 14.552 -0.977 2.172 1.00 0.00 H new ATOM 0 HA LYS A 13 16.081 1.371 2.406 1.00 0.00 H new ATOM 0 HB2 LYS A 13 15.242 -0.256 -0.035 1.00 0.00 H new ATOM 0 HB3 LYS A 13 16.514 0.949 -0.036 1.00 0.00 H new ATOM 0 HG2 LYS A 13 17.947 -0.374 1.295 1.00 0.00 H new ATOM 0 HG3 LYS A 13 16.639 -1.391 1.866 1.00 0.00 H new ATOM 0 HD2 LYS A 13 16.433 -2.509 -0.234 1.00 0.00 H new ATOM 0 HD3 LYS A 13 17.348 -1.277 -1.079 1.00 0.00 H new ATOM 0 HE2 LYS A 13 18.513 -3.093 1.070 1.00 0.00 H new ATOM 0 HE3 LYS A 13 18.625 -3.413 -0.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 20.600 -2.343 -0.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 19.650 -1.069 -0.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 19.885 -1.240 0.906 1.00 0.00 H new ATOM 206 N ALA A 14 13.367 1.587 0.526 1.00 0.00 N ATOM 207 CA ALA A 14 12.420 2.499 -0.103 1.00 0.00 C ATOM 208 C ALA A 14 11.727 3.394 0.912 1.00 0.00 C ATOM 209 O ALA A 14 11.659 4.611 0.738 1.00 0.00 O ATOM 210 CB ALA A 14 11.387 1.707 -0.887 1.00 0.00 C ATOM 0 H ALA A 14 13.134 0.601 0.408 1.00 0.00 H new ATOM 0 HA ALA A 14 12.982 3.145 -0.778 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.681 2.393 -1.355 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.887 1.119 -1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.851 1.040 -0.212 1.00 0.00 H new ATOM 216 N ILE A 15 11.215 2.787 1.969 1.00 0.00 N ATOM 217 CA ILE A 15 10.515 3.530 3.000 1.00 0.00 C ATOM 218 C ILE A 15 11.374 4.675 3.542 1.00 0.00 C ATOM 219 O ILE A 15 10.903 5.801 3.695 1.00 0.00 O ATOM 220 CB ILE A 15 10.045 2.588 4.119 1.00 0.00 C ATOM 221 CG1 ILE A 15 8.807 1.889 3.581 1.00 0.00 C ATOM 222 CG2 ILE A 15 9.762 3.330 5.429 1.00 0.00 C ATOM 223 CD1 ILE A 15 8.028 1.103 4.600 1.00 0.00 C ATOM 0 H ILE A 15 11.271 1.782 2.135 1.00 0.00 H new ATOM 0 HA ILE A 15 9.630 3.983 2.554 1.00 0.00 H new ATOM 0 HB ILE A 15 10.825 1.871 4.375 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.148 2.637 3.140 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.108 1.216 2.778 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.433 2.618 6.186 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.670 3.828 5.769 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.981 4.072 5.265 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.164 0.642 4.121 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.665 0.327 5.025 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.690 1.770 5.393 1.00 0.00 H new ATOM 235 N GLY A 16 12.635 4.372 3.832 1.00 0.00 N ATOM 236 CA GLY A 16 13.539 5.379 4.366 1.00 0.00 C ATOM 237 C GLY A 16 14.409 6.052 3.314 1.00 0.00 C ATOM 238 O GLY A 16 15.168 6.968 3.636 1.00 0.00 O ATOM 0 H GLY A 16 13.049 3.448 3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.954 6.141 4.880 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.183 4.914 5.112 1.00 0.00 H new ATOM 242 N ALA A 17 14.318 5.607 2.065 1.00 0.00 N ATOM 243 CA ALA A 17 15.131 6.186 0.994 1.00 0.00 C ATOM 244 C ALA A 17 14.594 7.534 0.533 1.00 0.00 C ATOM 245 O ALA A 17 15.364 8.469 0.307 1.00 0.00 O ATOM 246 CB ALA A 17 15.217 5.243 -0.196 1.00 0.00 C ATOM 0 H ALA A 17 13.697 4.855 1.768 1.00 0.00 H new ATOM 0 HA ALA A 17 16.128 6.338 1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 17 15.826 5.697 -0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 17 15.670 4.303 0.117 1.00 0.00 H new ATOM 0 HB3 ALA A 17 14.216 5.052 -0.582 1.00 0.00 H new ATOM 252 N PHE A 18 13.278 7.643 0.391 1.00 0.00 N ATOM 253 CA PHE A 18 12.681 8.882 -0.077 1.00 0.00 C ATOM 254 C PHE A 18 11.311 9.136 0.549 1.00 0.00 C ATOM 255 O PHE A 18 10.511 8.216 0.718 1.00 0.00 O ATOM 256 CB PHE A 18 12.581 8.844 -1.607 1.00 0.00 C ATOM 257 CG PHE A 18 11.379 8.108 -2.146 1.00 0.00 C ATOM 258 CD1 PHE A 18 11.064 6.831 -1.705 1.00 0.00 C ATOM 259 CD2 PHE A 18 10.568 8.701 -3.099 1.00 0.00 C ATOM 260 CE1 PHE A 18 9.959 6.162 -2.207 1.00 0.00 C ATOM 261 CE2 PHE A 18 9.464 8.037 -3.603 1.00 0.00 C ATOM 262 CZ PHE A 18 9.160 6.767 -3.156 1.00 0.00 C ATOM 0 H PHE A 18 12.613 6.896 0.591 1.00 0.00 H new ATOM 0 HA PHE A 18 13.321 9.708 0.232 1.00 0.00 H new ATOM 0 HB2 PHE A 18 12.560 9.868 -1.981 1.00 0.00 H new ATOM 0 HB3 PHE A 18 13.483 8.378 -2.004 1.00 0.00 H new ATOM 0 HD1 PHE A 18 11.686 6.353 -0.963 1.00 0.00 H new ATOM 0 HD2 PHE A 18 10.800 9.694 -3.453 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.723 5.168 -1.856 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.840 8.512 -4.346 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.298 6.247 -3.548 1.00 0.00 H new ATOM 272 N THR A 19 11.056 10.395 0.886 1.00 0.00 N ATOM 273 CA THR A 19 9.786 10.789 1.478 1.00 0.00 C ATOM 274 C THR A 19 8.756 11.118 0.395 1.00 0.00 C ATOM 275 O THR A 19 7.557 11.183 0.669 1.00 0.00 O ATOM 276 CB THR A 19 9.952 12.006 2.405 1.00 0.00 C ATOM 277 OG1 THR A 19 10.474 13.119 1.668 1.00 0.00 O ATOM 278 CG2 THR A 19 10.879 11.680 3.567 1.00 0.00 C ATOM 0 H THR A 19 11.716 11.162 0.758 1.00 0.00 H new ATOM 0 HA THR A 19 9.432 9.943 2.067 1.00 0.00 H new ATOM 0 HB THR A 19 8.972 12.265 2.805 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.575 13.889 2.266 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.981 12.556 4.208 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.463 10.854 4.144 1.00 0.00 H new ATOM 0 HG23 THR A 19 11.859 11.396 3.182 1.00 0.00 H new ATOM 286 N ALA A 20 9.232 11.326 -0.835 1.00 0.00 N ATOM 287 CA ALA A 20 8.361 11.633 -1.965 1.00 0.00 C ATOM 288 C ALA A 20 7.154 10.703 -1.994 1.00 0.00 C ATOM 289 O ALA A 20 6.082 11.068 -2.476 1.00 0.00 O ATOM 290 CB ALA A 20 9.142 11.523 -3.265 1.00 0.00 C ATOM 0 H ALA A 20 10.223 11.286 -1.071 1.00 0.00 H new ATOM 0 HA ALA A 20 7.997 12.654 -1.851 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.486 11.753 -4.104 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.974 12.227 -3.251 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.527 10.509 -3.373 1.00 0.00 H new ATOM 296 N ALA A 21 7.339 9.496 -1.468 1.00 0.00 N ATOM 297 CA ALA A 21 6.271 8.507 -1.427 1.00 0.00 C ATOM 298 C ALA A 21 5.015 9.079 -0.788 1.00 0.00 C ATOM 299 O ALA A 21 3.981 9.220 -1.436 1.00 0.00 O ATOM 300 CB ALA A 21 6.731 7.270 -0.669 1.00 0.00 C ATOM 0 H ALA A 21 8.221 9.180 -1.064 1.00 0.00 H new ATOM 0 HA ALA A 21 6.029 8.228 -2.452 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.924 6.537 -0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.598 6.839 -1.169 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.000 7.547 0.350 1.00 0.00 H new ATOM 306 N ASP A 22 5.115 9.407 0.489 1.00 0.00 N ATOM 307 CA ASP A 22 3.991 9.969 1.225 1.00 0.00 C ATOM 308 C ASP A 22 3.813 11.446 0.902 1.00 0.00 C ATOM 309 O ASP A 22 2.722 11.998 1.055 1.00 0.00 O ATOM 310 CB ASP A 22 4.195 9.786 2.731 1.00 0.00 C ATOM 311 CG ASP A 22 5.474 10.432 3.223 1.00 0.00 C ATOM 312 OD1 ASP A 22 5.464 11.657 3.469 1.00 0.00 O ATOM 313 OD2 ASP A 22 6.486 9.714 3.363 1.00 0.00 O ATOM 0 H ASP A 22 5.965 9.294 1.041 1.00 0.00 H new ATOM 0 HA ASP A 22 3.089 9.437 0.920 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.346 10.214 3.265 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.215 8.722 2.966 1.00 0.00 H new ATOM 318 N SER A 23 4.886 12.083 0.451 1.00 0.00 N ATOM 319 CA SER A 23 4.846 13.493 0.110 1.00 0.00 C ATOM 320 C SER A 23 3.955 13.750 -1.107 1.00 0.00 C ATOM 321 O SER A 23 2.916 14.399 -0.991 1.00 0.00 O ATOM 322 CB SER A 23 6.265 14.006 -0.139 1.00 0.00 C ATOM 323 OG SER A 23 6.266 15.104 -1.033 1.00 0.00 O ATOM 0 H SER A 23 5.795 11.641 0.314 1.00 0.00 H new ATOM 0 HA SER A 23 4.413 14.037 0.950 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.717 14.304 0.807 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.878 13.202 -0.546 1.00 0.00 H new ATOM 0 HG SER A 23 7.186 15.412 -1.172 1.00 0.00 H new ATOM 329 N PHE A 24 4.360 13.246 -2.274 1.00 0.00 N ATOM 330 CA PHE A 24 3.571 13.449 -3.488 1.00 0.00 C ATOM 331 C PHE A 24 2.666 12.254 -3.806 1.00 0.00 C ATOM 332 O PHE A 24 1.469 12.425 -4.032 1.00 0.00 O ATOM 333 CB PHE A 24 4.479 13.774 -4.680 1.00 0.00 C ATOM 334 CG PHE A 24 5.109 12.573 -5.327 1.00 0.00 C ATOM 335 CD1 PHE A 24 4.461 11.907 -6.354 1.00 0.00 C ATOM 336 CD2 PHE A 24 6.349 12.117 -4.913 1.00 0.00 C ATOM 337 CE1 PHE A 24 5.037 10.805 -6.955 1.00 0.00 C ATOM 338 CE2 PHE A 24 6.930 11.016 -5.512 1.00 0.00 C ATOM 339 CZ PHE A 24 6.274 10.361 -6.533 1.00 0.00 C ATOM 0 H PHE A 24 5.214 12.704 -2.403 1.00 0.00 H new ATOM 0 HA PHE A 24 2.918 14.302 -3.302 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.897 14.311 -5.429 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.268 14.448 -4.347 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.494 12.253 -6.689 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.867 12.627 -4.114 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.521 10.292 -7.753 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.897 10.668 -5.181 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.728 9.501 -7.002 1.00 0.00 H new ATOM 349 N ASP A 25 3.234 11.045 -3.835 1.00 0.00 N ATOM 350 CA ASP A 25 2.443 9.851 -4.147 1.00 0.00 C ATOM 351 C ASP A 25 3.223 8.557 -3.898 1.00 0.00 C ATOM 352 O ASP A 25 4.328 8.377 -4.407 1.00 0.00 O ATOM 353 CB ASP A 25 1.984 9.905 -5.604 1.00 0.00 C ATOM 354 CG ASP A 25 1.162 8.695 -6.001 1.00 0.00 C ATOM 355 OD1 ASP A 25 0.706 7.964 -5.098 1.00 0.00 O ATOM 356 OD2 ASP A 25 0.972 8.482 -7.217 1.00 0.00 O ATOM 0 H ASP A 25 4.221 10.868 -3.650 1.00 0.00 H new ATOM 0 HA ASP A 25 1.580 9.845 -3.481 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.394 10.808 -5.762 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.856 9.976 -6.254 1.00 0.00 H new ATOM 361 N HIS A 26 2.630 7.659 -3.107 1.00 0.00 N ATOM 362 CA HIS A 26 3.248 6.370 -2.790 1.00 0.00 C ATOM 363 C HIS A 26 3.262 5.433 -4.002 1.00 0.00 C ATOM 364 O HIS A 26 3.908 4.385 -3.972 1.00 0.00 O ATOM 365 CB HIS A 26 2.506 5.677 -1.643 1.00 0.00 C ATOM 366 CG HIS A 26 2.721 6.297 -0.297 1.00 0.00 C ATOM 367 ND1 HIS A 26 3.854 6.079 0.459 1.00 0.00 N ATOM 368 CD2 HIS A 26 1.926 7.103 0.446 1.00 0.00 C ATOM 369 CE1 HIS A 26 3.745 6.722 1.608 1.00 0.00 C ATOM 370 NE2 HIS A 26 2.585 7.351 1.624 1.00 0.00 N ATOM 0 H HIS A 26 1.718 7.803 -2.673 1.00 0.00 H new ATOM 0 HA HIS A 26 4.276 6.580 -2.494 1.00 0.00 H new ATOM 0 HB2 HIS A 26 1.439 5.680 -1.864 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.820 4.634 -1.602 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.954 7.480 0.164 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.480 6.731 2.399 1.00 0.00 H new ATOM 0 HE2 HIS A 26 2.235 7.928 2.388 1.00 0.00 H new ATOM 379 N LYS A 27 2.550 5.807 -5.065 1.00 0.00 N ATOM 380 CA LYS A 27 2.465 4.997 -6.261 1.00 0.00 C ATOM 381 C LYS A 27 3.840 4.500 -6.693 1.00 0.00 C ATOM 382 O LYS A 27 4.024 3.308 -6.942 1.00 0.00 O ATOM 383 CB LYS A 27 1.795 5.824 -7.349 1.00 0.00 C ATOM 384 CG LYS A 27 1.752 5.186 -8.699 1.00 0.00 C ATOM 385 CD LYS A 27 0.424 4.488 -8.927 1.00 0.00 C ATOM 386 CE LYS A 27 0.105 3.487 -7.828 1.00 0.00 C ATOM 387 NZ LYS A 27 -0.663 4.103 -6.708 1.00 0.00 N ATOM 0 H LYS A 27 2.021 6.678 -5.113 1.00 0.00 H new ATOM 0 HA LYS A 27 1.868 4.106 -6.064 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.774 6.046 -7.037 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.317 6.777 -7.432 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.906 5.943 -9.468 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.566 4.467 -8.792 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.371 5.232 -8.980 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.446 3.975 -9.888 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.468 2.660 -8.248 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.033 3.067 -7.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.043 4.212 -5.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.016 5.036 -7.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.467 3.491 -6.460 1.00 0.00 H new ATOM 401 N LYS A 28 4.801 5.408 -6.784 1.00 0.00 N ATOM 402 CA LYS A 28 6.158 5.024 -7.141 1.00 0.00 C ATOM 403 C LYS A 28 6.722 4.149 -6.036 1.00 0.00 C ATOM 404 O LYS A 28 7.341 3.115 -6.292 1.00 0.00 O ATOM 405 CB LYS A 28 7.033 6.262 -7.326 1.00 0.00 C ATOM 406 CG LYS A 28 6.657 7.100 -8.538 1.00 0.00 C ATOM 407 CD LYS A 28 7.410 6.661 -9.784 1.00 0.00 C ATOM 408 CE LYS A 28 7.110 5.216 -10.145 1.00 0.00 C ATOM 409 NZ LYS A 28 7.701 4.837 -11.459 1.00 0.00 N ATOM 0 H LYS A 28 4.668 6.406 -6.617 1.00 0.00 H new ATOM 0 HA LYS A 28 6.145 4.474 -8.082 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.965 6.881 -6.432 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.073 5.950 -7.419 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.584 7.022 -8.715 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.871 8.149 -8.335 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.140 7.308 -10.619 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.481 6.780 -9.622 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.501 4.559 -9.368 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.031 5.066 -10.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.474 3.844 -11.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.309 5.447 -12.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.734 4.955 -11.422 1.00 0.00 H new ATOM 423 N PHE A 29 6.500 4.583 -4.800 1.00 0.00 N ATOM 424 CA PHE A 29 6.950 3.839 -3.635 1.00 0.00 C ATOM 425 C PHE A 29 6.428 2.407 -3.690 1.00 0.00 C ATOM 426 O PHE A 29 7.074 1.485 -3.200 1.00 0.00 O ATOM 427 CB PHE A 29 6.487 4.538 -2.351 1.00 0.00 C ATOM 428 CG PHE A 29 6.622 3.696 -1.112 1.00 0.00 C ATOM 429 CD1 PHE A 29 7.870 3.309 -0.651 1.00 0.00 C ATOM 430 CD2 PHE A 29 5.497 3.286 -0.416 1.00 0.00 C ATOM 431 CE1 PHE A 29 7.993 2.530 0.485 1.00 0.00 C ATOM 432 CE2 PHE A 29 5.613 2.508 0.719 1.00 0.00 C ATOM 433 CZ PHE A 29 6.862 2.129 1.170 1.00 0.00 C ATOM 0 H PHE A 29 6.009 5.450 -4.581 1.00 0.00 H new ATOM 0 HA PHE A 29 8.040 3.806 -3.635 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.064 5.454 -2.220 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.444 4.832 -2.466 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.756 3.619 -1.185 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.518 3.578 -0.765 1.00 0.00 H new ATOM 0 HE1 PHE A 29 8.971 2.236 0.836 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.728 2.196 1.253 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.955 1.520 2.057 1.00 0.00 H new ATOM 443 N PHE A 30 5.253 2.226 -4.289 1.00 0.00 N ATOM 444 CA PHE A 30 4.662 0.898 -4.420 1.00 0.00 C ATOM 445 C PHE A 30 5.590 -0.014 -5.210 1.00 0.00 C ATOM 446 O PHE A 30 5.628 -1.228 -4.997 1.00 0.00 O ATOM 447 CB PHE A 30 3.308 0.977 -5.116 1.00 0.00 C ATOM 448 CG PHE A 30 2.275 0.128 -4.448 1.00 0.00 C ATOM 449 CD1 PHE A 30 1.502 0.629 -3.415 1.00 0.00 C ATOM 450 CD2 PHE A 30 2.094 -1.183 -4.844 1.00 0.00 C ATOM 451 CE1 PHE A 30 0.560 -0.165 -2.791 1.00 0.00 C ATOM 452 CE2 PHE A 30 1.156 -1.983 -4.225 1.00 0.00 C ATOM 453 CZ PHE A 30 0.387 -1.474 -3.197 1.00 0.00 C ATOM 0 H PHE A 30 4.694 2.979 -4.690 1.00 0.00 H new ATOM 0 HA PHE A 30 4.519 0.489 -3.420 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.969 2.013 -5.130 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.417 0.663 -6.154 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.637 1.651 -3.094 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.693 -1.586 -5.647 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.040 0.236 -1.988 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.023 -3.006 -4.544 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.348 -2.098 -2.711 1.00 0.00 H new ATOM 463 N GLN A 31 6.329 0.591 -6.121 1.00 0.00 N ATOM 464 CA GLN A 31 7.274 -0.125 -6.964 1.00 0.00 C ATOM 465 C GLN A 31 8.610 -0.317 -6.249 1.00 0.00 C ATOM 466 O GLN A 31 9.209 -1.390 -6.308 1.00 0.00 O ATOM 467 CB GLN A 31 7.458 0.654 -8.270 1.00 0.00 C ATOM 468 CG GLN A 31 6.165 1.256 -8.806 1.00 0.00 C ATOM 469 CD GLN A 31 6.332 1.855 -10.189 1.00 0.00 C ATOM 470 OE1 GLN A 31 5.541 2.877 -10.489 1.00 0.00 O flip ATOM 471 NE2 GLN A 31 7.164 1.404 -10.976 1.00 0.00 N flip ATOM 0 H GLN A 31 6.292 1.595 -6.299 1.00 0.00 H new ATOM 0 HA GLN A 31 6.882 -1.118 -7.185 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.182 1.453 -8.108 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.880 -0.011 -9.024 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.395 0.485 -8.838 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.815 2.027 -8.120 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.751 0.616 -10.702 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.266 1.818 -11.903 1.00 0.00 H new ATOM 480 N MET A 32 9.065 0.729 -5.574 1.00 0.00 N ATOM 481 CA MET A 32 10.333 0.688 -4.841 1.00 0.00 C ATOM 482 C MET A 32 10.209 -0.139 -3.565 1.00 0.00 C ATOM 483 O MET A 32 11.160 -0.787 -3.136 1.00 0.00 O ATOM 484 CB MET A 32 10.813 2.096 -4.472 1.00 0.00 C ATOM 485 CG MET A 32 10.219 3.207 -5.316 1.00 0.00 C ATOM 486 SD MET A 32 10.999 4.806 -5.017 1.00 0.00 S ATOM 487 CE MET A 32 12.673 4.473 -5.560 1.00 0.00 C ATOM 0 H MET A 32 8.576 1.622 -5.516 1.00 0.00 H new ATOM 0 HA MET A 32 11.062 0.223 -5.505 1.00 0.00 H new ATOM 0 HB2 MET A 32 10.573 2.285 -3.426 1.00 0.00 H new ATOM 0 HB3 MET A 32 11.899 2.131 -4.561 1.00 0.00 H new ATOM 0 HG2 MET A 32 10.321 2.950 -6.370 1.00 0.00 H new ATOM 0 HG3 MET A 32 9.152 3.284 -5.108 1.00 0.00 H new ATOM 0 HE1 MET A 32 13.150 5.406 -5.861 1.00 0.00 H new ATOM 0 HE2 MET A 32 13.238 4.023 -4.743 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.651 3.787 -6.407 1.00 0.00 H new ATOM 497 N VAL A 33 9.028 -0.094 -2.966 1.00 0.00 N ATOM 498 CA VAL A 33 8.759 -0.810 -1.721 1.00 0.00 C ATOM 499 C VAL A 33 8.824 -2.319 -1.908 1.00 0.00 C ATOM 500 O VAL A 33 9.086 -3.062 -0.964 1.00 0.00 O ATOM 501 CB VAL A 33 7.376 -0.422 -1.164 1.00 0.00 C ATOM 502 CG1 VAL A 33 6.293 -0.834 -2.136 1.00 0.00 C ATOM 503 CG2 VAL A 33 7.130 -1.062 0.183 1.00 0.00 C ATOM 0 H VAL A 33 8.232 0.435 -3.324 1.00 0.00 H new ATOM 0 HA VAL A 33 9.535 -0.521 -1.012 1.00 0.00 H new ATOM 0 HB VAL A 33 7.354 0.660 -1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.319 -0.556 -1.734 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.449 -0.330 -3.090 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.329 -1.913 -2.285 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.146 -0.770 0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.173 -2.147 0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.893 -0.732 0.888 1.00 0.00 H new ATOM 513 N GLY A 34 8.593 -2.766 -3.128 1.00 0.00 N ATOM 514 CA GLY A 34 8.660 -4.187 -3.417 1.00 0.00 C ATOM 515 C GLY A 34 7.309 -4.881 -3.468 1.00 0.00 C ATOM 516 O GLY A 34 7.246 -6.111 -3.505 1.00 0.00 O ATOM 0 H GLY A 34 8.360 -2.175 -3.926 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.164 -4.328 -4.373 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.275 -4.671 -2.659 1.00 0.00 H new ATOM 520 N LEU A 35 6.226 -4.113 -3.472 1.00 0.00 N ATOM 521 CA LEU A 35 4.890 -4.699 -3.542 1.00 0.00 C ATOM 522 C LEU A 35 4.724 -5.387 -4.885 1.00 0.00 C ATOM 523 O LEU A 35 4.065 -6.416 -5.003 1.00 0.00 O ATOM 524 CB LEU A 35 3.819 -3.623 -3.351 1.00 0.00 C ATOM 525 CG LEU A 35 3.241 -3.531 -1.936 1.00 0.00 C ATOM 526 CD1 LEU A 35 3.310 -2.103 -1.419 1.00 0.00 C ATOM 527 CD2 LEU A 35 1.807 -4.035 -1.910 1.00 0.00 C ATOM 0 H LEU A 35 6.244 -3.094 -3.428 1.00 0.00 H new ATOM 0 HA LEU A 35 4.772 -5.430 -2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.245 -2.656 -3.617 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.004 -3.815 -4.049 1.00 0.00 H new ATOM 0 HG LEU A 35 3.842 -4.163 -1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.894 -2.060 -0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.349 -1.774 -1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.736 -1.450 -2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.414 -3.962 -0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.197 -3.430 -2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.781 -5.075 -2.235 1.00 0.00 H new ATOM 539 N LYS A 36 5.370 -4.824 -5.893 1.00 0.00 N ATOM 540 CA LYS A 36 5.320 -5.377 -7.236 1.00 0.00 C ATOM 541 C LYS A 36 6.351 -6.498 -7.415 1.00 0.00 C ATOM 542 O LYS A 36 6.585 -6.956 -8.533 1.00 0.00 O ATOM 543 CB LYS A 36 5.567 -4.275 -8.260 1.00 0.00 C ATOM 544 CG LYS A 36 4.405 -3.296 -8.397 1.00 0.00 C ATOM 545 CD LYS A 36 4.881 -1.882 -8.730 1.00 0.00 C ATOM 546 CE LYS A 36 6.008 -1.874 -9.747 1.00 0.00 C ATOM 547 NZ LYS A 36 5.604 -2.516 -11.027 1.00 0.00 N ATOM 0 H LYS A 36 5.937 -3.981 -5.806 1.00 0.00 H new ATOM 0 HA LYS A 36 4.328 -5.802 -7.391 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.464 -3.724 -7.979 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.764 -4.730 -9.231 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.729 -3.644 -9.178 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.836 -3.277 -7.468 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.043 -1.301 -9.116 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.216 -1.390 -7.817 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.318 -0.846 -9.938 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.872 -2.396 -9.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.062 -2.025 -11.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.896 -3.514 -11.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.571 -2.458 -11.133 1.00 0.00 H new ATOM 561 N LYS A 37 6.964 -6.940 -6.312 1.00 0.00 N ATOM 562 CA LYS A 37 7.960 -7.992 -6.360 1.00 0.00 C ATOM 563 C LYS A 37 7.426 -9.200 -7.125 1.00 0.00 C ATOM 564 O LYS A 37 8.090 -9.726 -8.018 1.00 0.00 O ATOM 565 CB LYS A 37 8.344 -8.385 -4.932 1.00 0.00 C ATOM 566 CG LYS A 37 9.452 -9.428 -4.853 1.00 0.00 C ATOM 567 CD LYS A 37 8.912 -10.851 -4.857 1.00 0.00 C ATOM 568 CE LYS A 37 8.413 -11.271 -3.482 1.00 0.00 C ATOM 569 NZ LYS A 37 7.143 -10.589 -3.109 1.00 0.00 N ATOM 0 H LYS A 37 6.780 -6.578 -5.376 1.00 0.00 H new ATOM 0 HA LYS A 37 8.845 -7.629 -6.883 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.661 -7.492 -4.393 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.461 -8.769 -4.422 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.131 -9.298 -5.696 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.035 -9.266 -3.946 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.098 -10.929 -5.578 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.695 -11.536 -5.184 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.261 -12.350 -3.467 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.176 -11.046 -2.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.710 -11.079 -2.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.342 -9.602 -2.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.488 -10.609 -3.917 1.00 0.00 H new ATOM 583 N LYS A 38 6.221 -9.636 -6.766 1.00 0.00 N ATOM 584 CA LYS A 38 5.593 -10.775 -7.423 1.00 0.00 C ATOM 585 C LYS A 38 4.117 -10.498 -7.704 1.00 0.00 C ATOM 586 O LYS A 38 3.683 -9.345 -7.712 1.00 0.00 O ATOM 587 CB LYS A 38 5.730 -12.025 -6.556 1.00 0.00 C ATOM 588 CG LYS A 38 6.281 -13.226 -7.308 1.00 0.00 C ATOM 589 CD LYS A 38 6.471 -14.423 -6.391 1.00 0.00 C ATOM 590 CE LYS A 38 7.456 -14.117 -5.274 1.00 0.00 C ATOM 591 NZ LYS A 38 7.693 -15.302 -4.402 1.00 0.00 N ATOM 0 H LYS A 38 5.661 -9.217 -6.024 1.00 0.00 H new ATOM 0 HA LYS A 38 6.100 -10.940 -8.374 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.384 -11.803 -5.713 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.754 -12.281 -6.144 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.601 -13.492 -8.118 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.235 -12.963 -7.766 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.511 -14.711 -5.962 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.829 -15.274 -6.971 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.402 -13.788 -5.704 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.076 -13.292 -4.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.370 -15.052 -3.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.795 -15.601 -3.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.080 -16.081 -4.972 1.00 0.00 H new ATOM 605 N SER A 39 3.354 -11.560 -7.935 1.00 0.00 N ATOM 606 CA SER A 39 1.928 -11.434 -8.223 1.00 0.00 C ATOM 607 C SER A 39 1.194 -10.710 -7.095 1.00 0.00 C ATOM 608 O SER A 39 1.796 -10.322 -6.094 1.00 0.00 O ATOM 609 CB SER A 39 1.310 -12.817 -8.442 1.00 0.00 C ATOM 610 OG SER A 39 1.941 -13.492 -9.518 1.00 0.00 O ATOM 0 H SER A 39 3.699 -12.520 -7.929 1.00 0.00 H new ATOM 0 HA SER A 39 1.822 -10.842 -9.132 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.404 -13.409 -7.532 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.244 -12.715 -8.647 1.00 0.00 H new ATOM 0 HG SER A 39 1.530 -14.374 -9.637 1.00 0.00 H new ATOM 616 N ALA A 40 -0.113 -10.532 -7.270 1.00 0.00 N ATOM 617 CA ALA A 40 -0.943 -9.855 -6.279 1.00 0.00 C ATOM 618 C ALA A 40 -1.060 -10.665 -4.986 1.00 0.00 C ATOM 619 O ALA A 40 -1.573 -10.170 -3.981 1.00 0.00 O ATOM 620 CB ALA A 40 -2.321 -9.595 -6.864 1.00 0.00 C ATOM 0 H ALA A 40 -0.622 -10.850 -8.095 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.466 -8.908 -6.027 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.941 -9.089 -6.124 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.228 -8.966 -7.750 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.784 -10.543 -7.139 1.00 0.00 H new ATOM 626 N ASP A 41 -0.602 -11.914 -5.013 1.00 0.00 N ATOM 627 CA ASP A 41 -0.669 -12.774 -3.838 1.00 0.00 C ATOM 628 C ASP A 41 0.165 -12.207 -2.691 1.00 0.00 C ATOM 629 O ASP A 41 -0.269 -12.202 -1.539 1.00 0.00 O ATOM 630 CB ASP A 41 -0.194 -14.184 -4.185 1.00 0.00 C ATOM 631 CG ASP A 41 -0.173 -15.103 -2.979 1.00 0.00 C ATOM 632 OD1 ASP A 41 -1.216 -15.727 -2.689 1.00 0.00 O ATOM 633 OD2 ASP A 41 0.886 -15.199 -2.324 1.00 0.00 O ATOM 0 H ASP A 41 -0.182 -12.351 -5.834 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.709 -12.818 -3.513 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.847 -14.606 -4.948 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.806 -14.131 -4.615 1.00 0.00 H new ATOM 638 N ASP A 42 1.363 -11.730 -3.013 1.00 0.00 N ATOM 639 CA ASP A 42 2.252 -11.161 -2.005 1.00 0.00 C ATOM 640 C ASP A 42 1.666 -9.878 -1.426 1.00 0.00 C ATOM 641 O ASP A 42 1.558 -9.728 -0.208 1.00 0.00 O ATOM 642 CB ASP A 42 3.631 -10.883 -2.607 1.00 0.00 C ATOM 643 CG ASP A 42 4.327 -12.147 -3.066 1.00 0.00 C ATOM 644 OD1 ASP A 42 3.987 -12.650 -4.157 1.00 0.00 O ATOM 645 OD2 ASP A 42 5.212 -12.636 -2.333 1.00 0.00 O ATOM 0 H ASP A 42 1.740 -11.726 -3.961 1.00 0.00 H new ATOM 0 HA ASP A 42 2.358 -11.886 -1.198 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.525 -10.203 -3.452 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.252 -10.378 -1.867 1.00 0.00 H new ATOM 650 N VAL A 43 1.291 -8.956 -2.305 1.00 0.00 N ATOM 651 CA VAL A 43 0.710 -7.688 -1.882 1.00 0.00 C ATOM 652 C VAL A 43 -0.583 -7.919 -1.113 1.00 0.00 C ATOM 653 O VAL A 43 -0.865 -7.244 -0.124 1.00 0.00 O ATOM 654 CB VAL A 43 0.428 -6.778 -3.089 1.00 0.00 C ATOM 655 CG1 VAL A 43 1.715 -6.475 -3.835 1.00 0.00 C ATOM 656 CG2 VAL A 43 -0.588 -7.428 -4.013 1.00 0.00 C ATOM 0 H VAL A 43 1.379 -9.063 -3.316 1.00 0.00 H new ATOM 0 HA VAL A 43 1.434 -7.197 -1.232 1.00 0.00 H new ATOM 0 HB VAL A 43 0.012 -5.837 -2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.499 -5.830 -4.687 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.413 -5.971 -3.166 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.158 -7.406 -4.188 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.778 -6.773 -4.863 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.198 -8.381 -4.370 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.518 -7.597 -3.470 1.00 0.00 H new ATOM 666 N LYS A 44 -1.370 -8.882 -1.580 1.00 0.00 N ATOM 667 CA LYS A 44 -2.627 -9.224 -0.937 1.00 0.00 C ATOM 668 C LYS A 44 -2.375 -9.742 0.474 1.00 0.00 C ATOM 669 O LYS A 44 -3.183 -9.536 1.379 1.00 0.00 O ATOM 670 CB LYS A 44 -3.374 -10.271 -1.764 1.00 0.00 C ATOM 671 CG LYS A 44 -4.069 -9.700 -2.989 1.00 0.00 C ATOM 672 CD LYS A 44 -4.519 -10.797 -3.939 1.00 0.00 C ATOM 673 CE LYS A 44 -5.446 -10.258 -5.017 1.00 0.00 C ATOM 674 NZ LYS A 44 -5.888 -11.327 -5.952 1.00 0.00 N ATOM 0 H LYS A 44 -1.155 -9.440 -2.406 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.243 -8.327 -0.872 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.670 -11.040 -2.082 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.115 -10.760 -1.131 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.932 -9.111 -2.677 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.392 -9.022 -3.509 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.647 -11.256 -4.404 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.029 -11.579 -3.377 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.318 -9.800 -4.550 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.935 -9.474 -5.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.518 -10.920 -6.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.058 -11.747 -6.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.398 -12.063 -5.422 1.00 0.00 H new ATOM 688 N LYS A 45 -1.239 -10.411 0.649 1.00 0.00 N ATOM 689 CA LYS A 45 -0.859 -10.964 1.944 1.00 0.00 C ATOM 690 C LYS A 45 -0.563 -9.843 2.923 1.00 0.00 C ATOM 691 O LYS A 45 -1.186 -9.744 3.980 1.00 0.00 O ATOM 692 CB LYS A 45 0.370 -11.863 1.796 1.00 0.00 C ATOM 693 CG LYS A 45 0.046 -13.284 1.371 1.00 0.00 C ATOM 694 CD LYS A 45 1.300 -14.041 0.961 1.00 0.00 C ATOM 695 CE LYS A 45 0.984 -15.475 0.569 1.00 0.00 C ATOM 696 NZ LYS A 45 0.432 -16.255 1.712 1.00 0.00 N ATOM 0 H LYS A 45 -0.563 -10.584 -0.095 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.688 -11.560 2.325 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.045 -11.420 1.064 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.904 -11.891 2.746 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.445 -13.808 2.191 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.658 -13.265 0.539 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.776 -13.531 0.124 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.014 -14.037 1.785 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.267 -15.477 -0.252 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.889 -15.959 0.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.452 -17.269 1.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.007 -16.081 2.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.549 -15.960 1.892 1.00 0.00 H new ATOM 710 N VAL A 46 0.397 -8.997 2.567 1.00 0.00 N ATOM 711 CA VAL A 46 0.764 -7.875 3.405 1.00 0.00 C ATOM 712 C VAL A 46 -0.459 -7.036 3.712 1.00 0.00 C ATOM 713 O VAL A 46 -0.533 -6.375 4.748 1.00 0.00 O ATOM 714 CB VAL A 46 1.823 -6.987 2.732 1.00 0.00 C ATOM 715 CG1 VAL A 46 1.284 -6.388 1.443 1.00 0.00 C ATOM 716 CG2 VAL A 46 2.275 -5.901 3.687 1.00 0.00 C ATOM 0 H VAL A 46 0.932 -9.072 1.702 1.00 0.00 H new ATOM 0 HA VAL A 46 1.185 -8.278 4.326 1.00 0.00 H new ATOM 0 HB VAL A 46 2.685 -7.604 2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.050 -5.763 0.984 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.009 -7.189 0.757 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.405 -5.782 1.663 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.025 -5.278 3.200 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.420 -5.286 3.970 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.705 -6.357 4.579 1.00 0.00 H new ATOM 726 N PHE A 47 -1.424 -7.064 2.799 1.00 0.00 N ATOM 727 CA PHE A 47 -2.645 -6.311 2.981 1.00 0.00 C ATOM 728 C PHE A 47 -3.558 -7.003 3.975 1.00 0.00 C ATOM 729 O PHE A 47 -4.297 -6.353 4.700 1.00 0.00 O ATOM 730 CB PHE A 47 -3.379 -6.121 1.665 1.00 0.00 C ATOM 731 CG PHE A 47 -4.427 -5.049 1.736 1.00 0.00 C ATOM 732 CD1 PHE A 47 -4.067 -3.741 2.014 1.00 0.00 C ATOM 733 CD2 PHE A 47 -5.767 -5.345 1.539 1.00 0.00 C ATOM 734 CE1 PHE A 47 -5.021 -2.748 2.091 1.00 0.00 C ATOM 735 CE2 PHE A 47 -6.728 -4.353 1.617 1.00 0.00 C ATOM 736 CZ PHE A 47 -6.351 -3.052 1.892 1.00 0.00 C ATOM 0 H PHE A 47 -1.379 -7.599 1.932 1.00 0.00 H new ATOM 0 HA PHE A 47 -2.368 -5.331 3.369 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.660 -5.869 0.886 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.847 -7.062 1.375 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.027 -3.496 2.172 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.064 -6.361 1.322 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.726 -1.732 2.307 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.769 -4.594 1.464 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.098 -2.274 1.951 1.00 0.00 H new ATOM 746 N HIS A 48 -3.509 -8.331 3.998 1.00 0.00 N ATOM 747 CA HIS A 48 -4.334 -9.107 4.912 1.00 0.00 C ATOM 748 C HIS A 48 -3.867 -8.888 6.340 1.00 0.00 C ATOM 749 O HIS A 48 -4.672 -8.838 7.272 1.00 0.00 O ATOM 750 CB HIS A 48 -4.281 -10.596 4.560 1.00 0.00 C ATOM 751 CG HIS A 48 -5.125 -10.961 3.379 1.00 0.00 C ATOM 752 ND1 HIS A 48 -4.601 -11.448 2.200 1.00 0.00 N ATOM 753 CD2 HIS A 48 -6.467 -10.912 3.200 1.00 0.00 C ATOM 754 CE1 HIS A 48 -5.583 -11.681 1.347 1.00 0.00 C ATOM 755 NE2 HIS A 48 -6.725 -11.365 1.930 1.00 0.00 N ATOM 0 H HIS A 48 -2.907 -8.890 3.394 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.367 -8.772 4.818 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -3.247 -10.877 4.358 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -4.607 -11.177 5.423 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.198 -10.579 3.922 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -5.471 -12.065 0.344 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -7.649 -11.445 1.505 1.00 0.00 H new ATOM 764 N ILE A 49 -2.557 -8.760 6.502 1.00 0.00 N ATOM 765 CA ILE A 49 -1.971 -8.523 7.810 1.00 0.00 C ATOM 766 C ILE A 49 -2.572 -7.271 8.427 1.00 0.00 C ATOM 767 O ILE A 49 -3.022 -7.276 9.572 1.00 0.00 O ATOM 768 CB ILE A 49 -0.445 -8.332 7.716 1.00 0.00 C ATOM 769 CG1 ILE A 49 0.185 -9.412 6.833 1.00 0.00 C ATOM 770 CG2 ILE A 49 0.175 -8.348 9.105 1.00 0.00 C ATOM 771 CD1 ILE A 49 -0.263 -10.815 7.184 1.00 0.00 C ATOM 0 H ILE A 49 -1.880 -8.817 5.741 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.184 -9.396 8.428 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.247 -7.363 7.258 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.064 -9.209 5.791 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.270 -9.353 6.919 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.253 -8.212 9.024 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.249 -7.540 9.702 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.035 -9.303 9.586 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.222 -11.529 6.519 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.010 -11.037 8.216 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.344 -10.891 7.071 1.00 0.00 H new ATOM 783 N LEU A 50 -2.570 -6.198 7.644 1.00 0.00 N ATOM 784 CA LEU A 50 -3.099 -4.923 8.079 1.00 0.00 C ATOM 785 C LEU A 50 -4.616 -4.844 7.900 1.00 0.00 C ATOM 786 O LEU A 50 -5.304 -4.181 8.677 1.00 0.00 O ATOM 787 CB LEU A 50 -2.408 -3.819 7.286 1.00 0.00 C ATOM 788 CG LEU A 50 -2.699 -3.810 5.784 1.00 0.00 C ATOM 789 CD1 LEU A 50 -3.943 -2.989 5.485 1.00 0.00 C ATOM 790 CD2 LEU A 50 -1.504 -3.267 5.013 1.00 0.00 C ATOM 0 H LEU A 50 -2.201 -6.193 6.693 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.902 -4.803 9.144 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.704 -2.856 7.702 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.331 -3.911 7.430 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.880 -4.836 5.463 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.133 -2.995 4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.797 -3.420 6.007 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.791 -1.963 5.821 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.728 -3.268 3.946 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.293 -2.248 5.339 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.634 -3.896 5.201 1.00 0.00 H new ATOM 802 N ASP A 51 -5.135 -5.521 6.878 1.00 0.00 N ATOM 803 CA ASP A 51 -6.573 -5.511 6.607 1.00 0.00 C ATOM 804 C ASP A 51 -7.303 -6.609 7.381 1.00 0.00 C ATOM 805 O ASP A 51 -8.463 -6.905 7.098 1.00 0.00 O ATOM 806 CB ASP A 51 -6.832 -5.684 5.108 1.00 0.00 C ATOM 807 CG ASP A 51 -8.297 -5.528 4.751 1.00 0.00 C ATOM 808 OD1 ASP A 51 -9.023 -6.543 4.770 1.00 0.00 O ATOM 809 OD2 ASP A 51 -8.717 -4.393 4.449 1.00 0.00 O ATOM 0 H ASP A 51 -4.586 -6.081 6.226 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.960 -4.547 6.938 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.246 -4.950 4.554 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.488 -6.669 4.794 1.00 0.00 H new ATOM 814 N LYS A 52 -6.631 -7.207 8.359 1.00 0.00 N ATOM 815 CA LYS A 52 -7.234 -8.270 9.152 1.00 0.00 C ATOM 816 C LYS A 52 -8.437 -7.760 9.942 1.00 0.00 C ATOM 817 O LYS A 52 -9.399 -8.497 10.167 1.00 0.00 O ATOM 818 CB LYS A 52 -6.202 -8.861 10.110 1.00 0.00 C ATOM 819 CG LYS A 52 -5.797 -7.908 11.220 1.00 0.00 C ATOM 820 CD LYS A 52 -5.026 -8.625 12.313 1.00 0.00 C ATOM 821 CE LYS A 52 -3.794 -9.324 11.758 1.00 0.00 C ATOM 822 NZ LYS A 52 -3.051 -10.068 12.813 1.00 0.00 N ATOM 0 H LYS A 52 -5.673 -6.974 8.620 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.579 -9.043 8.466 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.607 -9.771 10.552 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.315 -9.148 9.545 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.185 -7.106 10.807 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.687 -7.444 11.645 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.726 -7.909 13.078 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.674 -9.356 12.797 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.094 -10.015 10.970 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.134 -8.587 11.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.219 -10.529 12.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.742 -9.406 13.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.672 -10.790 13.232 1.00 0.00 H new ATOM 836 N ASP A 53 -8.383 -6.498 10.363 1.00 0.00 N ATOM 837 CA ASP A 53 -9.470 -5.906 11.137 1.00 0.00 C ATOM 838 C ASP A 53 -10.211 -4.840 10.330 1.00 0.00 C ATOM 839 O ASP A 53 -10.795 -3.918 10.900 1.00 0.00 O ATOM 840 CB ASP A 53 -8.935 -5.293 12.433 1.00 0.00 C ATOM 841 CG ASP A 53 -8.354 -6.330 13.377 1.00 0.00 C ATOM 842 OD1 ASP A 53 -9.141 -7.067 14.008 1.00 0.00 O ATOM 843 OD2 ASP A 53 -7.113 -6.399 13.491 1.00 0.00 O ATOM 0 H ASP A 53 -7.601 -5.869 10.182 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.172 -6.704 11.380 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.168 -4.557 12.192 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.741 -4.760 12.937 1.00 0.00 H new ATOM 848 N LYS A 54 -10.185 -4.966 9.008 1.00 0.00 N ATOM 849 CA LYS A 54 -10.861 -4.006 8.142 1.00 0.00 C ATOM 850 C LYS A 54 -12.031 -4.641 7.384 1.00 0.00 C ATOM 851 O LYS A 54 -12.694 -3.976 6.590 1.00 0.00 O ATOM 852 CB LYS A 54 -9.874 -3.388 7.164 1.00 0.00 C ATOM 853 CG LYS A 54 -8.633 -2.827 7.839 1.00 0.00 C ATOM 854 CD LYS A 54 -8.995 -1.910 8.996 1.00 0.00 C ATOM 855 CE LYS A 54 -9.916 -0.786 8.554 1.00 0.00 C ATOM 856 NZ LYS A 54 -10.296 0.098 9.690 1.00 0.00 N ATOM 0 H LYS A 54 -9.706 -5.719 8.514 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.270 -3.224 8.781 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.574 -4.141 6.436 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.371 -2.591 6.612 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.013 -3.647 8.203 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.038 -2.277 7.110 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.479 -2.489 9.782 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.086 -1.488 9.425 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.423 -0.194 7.783 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.815 -1.208 8.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.925 0.852 9.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.789 -0.461 10.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.440 0.521 10.102 1.00 0.00 H new ATOM 870 N SER A 55 -12.281 -5.927 7.631 1.00 0.00 N ATOM 871 CA SER A 55 -13.383 -6.632 6.983 1.00 0.00 C ATOM 872 C SER A 55 -13.165 -6.767 5.478 1.00 0.00 C ATOM 873 O SER A 55 -14.122 -6.922 4.718 1.00 0.00 O ATOM 874 CB SER A 55 -14.705 -5.913 7.255 1.00 0.00 C ATOM 875 OG SER A 55 -14.981 -5.861 8.645 1.00 0.00 O ATOM 0 H SER A 55 -11.735 -6.500 8.275 1.00 0.00 H new ATOM 0 HA SER A 55 -13.422 -7.636 7.406 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.662 -4.901 6.851 1.00 0.00 H new ATOM 0 HB3 SER A 55 -15.515 -6.428 6.739 1.00 0.00 H new ATOM 0 HG SER A 55 -15.830 -5.395 8.793 1.00 0.00 H new ATOM 881 N GLY A 56 -11.910 -6.709 5.049 1.00 0.00 N ATOM 882 CA GLY A 56 -11.606 -6.845 3.635 1.00 0.00 C ATOM 883 C GLY A 56 -11.581 -5.521 2.888 1.00 0.00 C ATOM 884 O GLY A 56 -11.157 -5.469 1.733 1.00 0.00 O ATOM 0 H GLY A 56 -11.099 -6.571 5.652 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.637 -7.333 3.525 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.346 -7.499 3.174 1.00 0.00 H new ATOM 888 N PHE A 57 -12.032 -4.451 3.536 1.00 0.00 N ATOM 889 CA PHE A 57 -12.050 -3.136 2.901 1.00 0.00 C ATOM 890 C PHE A 57 -11.516 -2.064 3.841 1.00 0.00 C ATOM 891 O PHE A 57 -11.969 -1.929 4.978 1.00 0.00 O ATOM 892 CB PHE A 57 -13.467 -2.768 2.452 1.00 0.00 C ATOM 893 CG PHE A 57 -14.154 -3.858 1.679 1.00 0.00 C ATOM 894 CD1 PHE A 57 -13.968 -3.979 0.311 1.00 0.00 C ATOM 895 CD2 PHE A 57 -14.982 -4.761 2.324 1.00 0.00 C ATOM 896 CE1 PHE A 57 -14.599 -4.983 -0.399 1.00 0.00 C ATOM 897 CE2 PHE A 57 -15.616 -5.765 1.618 1.00 0.00 C ATOM 898 CZ PHE A 57 -15.424 -5.877 0.255 1.00 0.00 C ATOM 0 H PHE A 57 -12.387 -4.467 4.492 1.00 0.00 H new ATOM 0 HA PHE A 57 -11.402 -3.187 2.026 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.065 -2.524 3.330 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.422 -1.870 1.836 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.324 -3.282 -0.205 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -15.134 -4.680 3.390 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -14.447 -5.068 -1.465 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -16.262 -6.462 2.132 1.00 0.00 H new ATOM 0 HZ PHE A 57 -15.918 -6.662 -0.298 1.00 0.00 H new ATOM 908 N ILE A 58 -10.551 -1.303 3.349 1.00 0.00 N ATOM 909 CA ILE A 58 -9.939 -0.228 4.116 1.00 0.00 C ATOM 910 C ILE A 58 -10.306 1.110 3.523 1.00 0.00 C ATOM 911 O ILE A 58 -10.418 1.260 2.308 1.00 0.00 O ATOM 912 CB ILE A 58 -8.414 -0.360 4.177 1.00 0.00 C ATOM 913 CG1 ILE A 58 -8.015 -1.822 4.369 1.00 0.00 C ATOM 914 CG2 ILE A 58 -7.863 0.491 5.307 1.00 0.00 C ATOM 915 CD1 ILE A 58 -6.536 -2.013 4.603 1.00 0.00 C ATOM 0 H ILE A 58 -10.170 -1.412 2.409 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.323 -0.300 5.134 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.993 -0.008 3.235 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.565 -2.233 5.215 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.313 -2.391 3.488 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.778 0.391 5.342 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.125 1.535 5.137 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.289 0.159 6.254 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.322 -3.074 4.731 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.980 -1.632 3.747 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.237 -1.471 5.500 1.00 0.00 H new ATOM 927 N GLU A 59 -10.463 2.087 4.387 1.00 0.00 N ATOM 928 CA GLU A 59 -10.867 3.405 3.966 1.00 0.00 C ATOM 929 C GLU A 59 -9.687 4.358 3.884 1.00 0.00 C ATOM 930 O GLU A 59 -8.969 4.592 4.855 1.00 0.00 O ATOM 931 CB GLU A 59 -11.904 3.925 4.940 1.00 0.00 C ATOM 932 CG GLU A 59 -13.320 3.491 4.602 1.00 0.00 C ATOM 933 CD GLU A 59 -14.368 4.250 5.392 1.00 0.00 C ATOM 934 OE1 GLU A 59 -14.746 5.360 4.963 1.00 0.00 O ATOM 935 OE2 GLU A 59 -14.808 3.737 6.442 1.00 0.00 O ATOM 0 H GLU A 59 -10.315 1.990 5.392 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.291 3.341 2.964 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.655 3.579 5.943 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.860 5.014 4.959 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.496 3.638 3.537 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.425 2.424 4.798 1.00 0.00 H new ATOM 942 N GLU A 60 -9.519 4.898 2.684 1.00 0.00 N ATOM 943 CA GLU A 60 -8.451 5.836 2.364 1.00 0.00 C ATOM 944 C GLU A 60 -8.170 6.805 3.511 1.00 0.00 C ATOM 945 O GLU A 60 -7.031 7.226 3.710 1.00 0.00 O ATOM 946 CB GLU A 60 -8.844 6.611 1.116 1.00 0.00 C ATOM 947 CG GLU A 60 -10.180 7.287 1.284 1.00 0.00 C ATOM 948 CD GLU A 60 -10.384 8.456 0.343 1.00 0.00 C ATOM 949 OE1 GLU A 60 -10.421 8.230 -0.886 1.00 0.00 O ATOM 950 OE2 GLU A 60 -10.504 9.599 0.830 1.00 0.00 O ATOM 0 H GLU A 60 -10.130 4.693 1.894 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.536 5.269 2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.082 7.359 0.896 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.882 5.934 0.263 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.972 6.556 1.121 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.276 7.636 2.312 1.00 0.00 H new ATOM 957 N ASP A 61 -9.212 7.162 4.256 1.00 0.00 N ATOM 958 CA ASP A 61 -9.068 8.089 5.372 1.00 0.00 C ATOM 959 C ASP A 61 -8.296 7.445 6.518 1.00 0.00 C ATOM 960 O ASP A 61 -7.313 7.999 7.009 1.00 0.00 O ATOM 961 CB ASP A 61 -10.445 8.538 5.860 1.00 0.00 C ATOM 962 CG ASP A 61 -11.209 9.311 4.801 1.00 0.00 C ATOM 963 OD1 ASP A 61 -11.928 8.671 4.006 1.00 0.00 O ATOM 964 OD2 ASP A 61 -11.085 10.552 4.767 1.00 0.00 O ATOM 0 H ASP A 61 -10.163 6.824 4.107 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.508 8.957 5.025 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.025 7.664 6.158 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.328 9.160 6.747 1.00 0.00 H new ATOM 969 N GLU A 62 -8.753 6.272 6.937 1.00 0.00 N ATOM 970 CA GLU A 62 -8.093 5.537 8.009 1.00 0.00 C ATOM 971 C GLU A 62 -6.846 4.839 7.475 1.00 0.00 C ATOM 972 O GLU A 62 -5.955 4.461 8.237 1.00 0.00 O ATOM 973 CB GLU A 62 -9.050 4.506 8.613 1.00 0.00 C ATOM 974 CG GLU A 62 -10.388 5.089 9.037 1.00 0.00 C ATOM 975 CD GLU A 62 -11.347 4.032 9.546 1.00 0.00 C ATOM 976 OE1 GLU A 62 -12.085 3.451 8.722 1.00 0.00 O ATOM 977 OE2 GLU A 62 -11.361 3.782 10.771 1.00 0.00 O ATOM 0 H GLU A 62 -9.577 5.810 6.552 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.800 6.242 8.787 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.223 3.714 7.885 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.574 4.045 9.478 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.226 5.833 9.817 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.839 5.607 8.191 1.00 0.00 H new ATOM 984 N LEU A 63 -6.796 4.674 6.156 1.00 0.00 N ATOM 985 CA LEU A 63 -5.675 4.029 5.494 1.00 0.00 C ATOM 986 C LEU A 63 -4.344 4.577 5.992 1.00 0.00 C ATOM 987 O LEU A 63 -3.418 3.825 6.296 1.00 0.00 O ATOM 988 CB LEU A 63 -5.779 4.253 3.985 1.00 0.00 C ATOM 989 CG LEU A 63 -5.119 3.184 3.102 1.00 0.00 C ATOM 990 CD1 LEU A 63 -3.864 2.619 3.755 1.00 0.00 C ATOM 991 CD2 LEU A 63 -6.107 2.077 2.779 1.00 0.00 C ATOM 0 H LEU A 63 -7.531 4.984 5.521 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.713 2.964 5.723 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.834 4.316 3.718 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.332 5.219 3.749 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.816 3.660 2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.422 1.865 3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.146 3.423 3.919 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.124 2.164 4.711 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.622 1.328 2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.447 1.611 3.704 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.962 2.496 2.248 1.00 0.00 H new ATOM 1003 N GLY A 64 -4.266 5.895 6.070 1.00 0.00 N ATOM 1004 CA GLY A 64 -3.049 6.554 6.511 1.00 0.00 C ATOM 1005 C GLY A 64 -2.551 6.036 7.844 1.00 0.00 C ATOM 1006 O GLY A 64 -1.351 6.044 8.110 1.00 0.00 O ATOM 0 H GLY A 64 -5.030 6.528 5.834 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.273 6.414 5.759 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.229 7.626 6.587 1.00 0.00 H new ATOM 1010 N SER A 65 -3.476 5.591 8.683 1.00 0.00 N ATOM 1011 CA SER A 65 -3.124 5.056 9.992 1.00 0.00 C ATOM 1012 C SER A 65 -2.645 3.619 9.855 1.00 0.00 C ATOM 1013 O SER A 65 -1.517 3.285 10.221 1.00 0.00 O ATOM 1014 CB SER A 65 -4.330 5.110 10.930 1.00 0.00 C ATOM 1015 OG SER A 65 -3.984 4.675 12.233 1.00 0.00 O ATOM 0 H SER A 65 -4.476 5.590 8.481 1.00 0.00 H new ATOM 0 HA SER A 65 -2.322 5.664 10.412 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.715 6.129 10.974 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.130 4.484 10.535 1.00 0.00 H new ATOM 0 HG SER A 65 -4.772 4.721 12.813 1.00 0.00 H new ATOM 1021 N ILE A 66 -3.515 2.775 9.311 1.00 0.00 N ATOM 1022 CA ILE A 66 -3.191 1.371 9.105 1.00 0.00 C ATOM 1023 C ILE A 66 -1.963 1.216 8.210 1.00 0.00 C ATOM 1024 O ILE A 66 -1.346 0.150 8.166 1.00 0.00 O ATOM 1025 CB ILE A 66 -4.373 0.610 8.483 1.00 0.00 C ATOM 1026 CG1 ILE A 66 -4.024 -0.860 8.315 1.00 0.00 C ATOM 1027 CG2 ILE A 66 -4.759 1.232 7.150 1.00 0.00 C ATOM 1028 CD1 ILE A 66 -3.595 -1.529 9.602 1.00 0.00 C ATOM 0 H ILE A 66 -4.451 3.041 9.005 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.975 0.946 10.085 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.230 0.682 9.153 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.889 -1.387 7.912 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.223 -0.954 7.582 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.597 0.683 6.721 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.047 2.272 7.304 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.910 1.188 6.468 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.361 -2.576 9.408 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.711 -1.027 9.996 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.403 -1.467 10.331 1.00 0.00 H new ATOM 1040 N LEU A 67 -1.610 2.286 7.494 1.00 0.00 N ATOM 1041 CA LEU A 67 -0.446 2.286 6.614 1.00 0.00 C ATOM 1042 C LEU A 67 0.770 1.664 7.293 1.00 0.00 C ATOM 1043 O LEU A 67 1.646 1.095 6.632 1.00 0.00 O ATOM 1044 CB LEU A 67 -0.111 3.726 6.231 1.00 0.00 C ATOM 1045 CG LEU A 67 -0.365 4.108 4.779 1.00 0.00 C ATOM 1046 CD1 LEU A 67 0.281 5.445 4.497 1.00 0.00 C ATOM 1047 CD2 LEU A 67 0.170 3.049 3.829 1.00 0.00 C ATOM 0 H LEU A 67 -2.120 3.169 7.509 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.688 1.694 5.732 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.690 4.394 6.868 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.941 3.905 6.454 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.441 4.180 4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.102 5.724 3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.147 6.202 5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.354 5.375 4.674 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.027 3.350 2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.244 2.938 3.976 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.324 2.098 4.029 1.00 0.00 H new ATOM 1059 N LYS A 68 0.804 1.753 8.617 1.00 0.00 N ATOM 1060 CA LYS A 68 1.923 1.243 9.384 1.00 0.00 C ATOM 1061 C LYS A 68 2.324 -0.163 8.962 1.00 0.00 C ATOM 1062 O LYS A 68 3.455 -0.577 9.212 1.00 0.00 O ATOM 1063 CB LYS A 68 1.584 1.257 10.863 1.00 0.00 C ATOM 1064 CG LYS A 68 1.268 2.642 11.398 1.00 0.00 C ATOM 1065 CD LYS A 68 0.450 2.567 12.675 1.00 0.00 C ATOM 1066 CE LYS A 68 0.132 3.953 13.214 1.00 0.00 C ATOM 1067 NZ LYS A 68 -0.645 3.889 14.484 1.00 0.00 N ATOM 0 H LYS A 68 0.065 2.176 9.179 1.00 0.00 H new ATOM 0 HA LYS A 68 2.773 1.897 9.189 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.729 0.605 11.038 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.421 0.842 11.424 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.196 3.181 11.589 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.720 3.209 10.645 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.478 2.028 12.483 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.998 2.000 13.427 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.060 4.499 13.383 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.435 4.511 12.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.842 4.854 14.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.542 3.390 14.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.094 3.378 15.203 1.00 0.00 H new ATOM 1081 N GLY A 69 1.410 -0.909 8.331 1.00 0.00 N ATOM 1082 CA GLY A 69 1.745 -2.253 7.875 1.00 0.00 C ATOM 1083 C GLY A 69 3.117 -2.287 7.228 1.00 0.00 C ATOM 1084 O GLY A 69 4.001 -3.028 7.657 1.00 0.00 O ATOM 0 H GLY A 69 0.456 -0.610 8.130 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.721 -2.943 8.719 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.995 -2.595 7.162 1.00 0.00 H new ATOM 1088 N PHE A 70 3.283 -1.477 6.193 1.00 0.00 N ATOM 1089 CA PHE A 70 4.561 -1.364 5.513 1.00 0.00 C ATOM 1090 C PHE A 70 5.295 -0.124 6.020 1.00 0.00 C ATOM 1091 O PHE A 70 6.487 -0.156 6.313 1.00 0.00 O ATOM 1092 CB PHE A 70 4.384 -1.294 3.988 1.00 0.00 C ATOM 1093 CG PHE A 70 3.054 -0.757 3.524 1.00 0.00 C ATOM 1094 CD1 PHE A 70 1.906 -1.526 3.640 1.00 0.00 C ATOM 1095 CD2 PHE A 70 2.954 0.508 2.957 1.00 0.00 C ATOM 1096 CE1 PHE A 70 0.685 -1.046 3.206 1.00 0.00 C ATOM 1097 CE2 PHE A 70 1.734 0.992 2.517 1.00 0.00 C ATOM 1098 CZ PHE A 70 0.599 0.213 2.642 1.00 0.00 C ATOM 0 H PHE A 70 2.546 -0.888 5.806 1.00 0.00 H new ATOM 0 HA PHE A 70 5.149 -2.255 5.733 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.175 -0.669 3.574 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.519 -2.294 3.576 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.967 -2.513 4.075 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.838 1.120 2.859 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.202 -1.654 3.307 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.669 1.976 2.077 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.354 0.588 2.299 1.00 0.00 H new ATOM 1108 N SER A 71 4.520 0.947 6.169 1.00 0.00 N ATOM 1109 CA SER A 71 4.991 2.257 6.600 1.00 0.00 C ATOM 1110 C SER A 71 5.428 2.312 8.061 1.00 0.00 C ATOM 1111 O SER A 71 5.799 3.382 8.544 1.00 0.00 O ATOM 1112 CB SER A 71 3.911 3.306 6.348 1.00 0.00 C ATOM 1113 OG SER A 71 3.343 3.156 5.059 1.00 0.00 O ATOM 0 H SER A 71 3.517 0.925 5.987 1.00 0.00 H new ATOM 0 HA SER A 71 5.881 2.467 6.006 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.131 3.218 7.105 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.339 4.304 6.446 1.00 0.00 H new ATOM 0 HG SER A 71 3.193 4.040 4.663 1.00 0.00 H new ATOM 1119 N SER A 72 5.380 1.190 8.783 1.00 0.00 N ATOM 1120 CA SER A 72 5.776 1.189 10.198 1.00 0.00 C ATOM 1121 C SER A 72 7.076 1.974 10.401 1.00 0.00 C ATOM 1122 O SER A 72 7.340 2.483 11.490 1.00 0.00 O ATOM 1123 CB SER A 72 5.958 -0.244 10.705 1.00 0.00 C ATOM 1124 OG SER A 72 6.486 -0.255 12.021 1.00 0.00 O ATOM 0 H SER A 72 5.077 0.285 8.422 1.00 0.00 H new ATOM 0 HA SER A 72 4.981 1.671 10.767 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.000 -0.763 10.690 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.626 -0.788 10.037 1.00 0.00 H new ATOM 0 HG SER A 72 6.592 -1.181 12.323 1.00 0.00 H new ATOM 1130 N ASP A 73 7.881 2.066 9.345 1.00 0.00 N ATOM 1131 CA ASP A 73 9.122 2.826 9.392 1.00 0.00 C ATOM 1132 C ASP A 73 8.964 4.145 8.631 1.00 0.00 C ATOM 1133 O ASP A 73 9.661 5.121 8.908 1.00 0.00 O ATOM 1134 CB ASP A 73 10.266 2.011 8.799 1.00 0.00 C ATOM 1135 CG ASP A 73 10.240 0.566 9.252 1.00 0.00 C ATOM 1136 OD1 ASP A 73 10.803 0.270 10.328 1.00 0.00 O ATOM 1137 OD2 ASP A 73 9.657 -0.273 8.532 1.00 0.00 O ATOM 0 H ASP A 73 7.693 1.622 8.446 1.00 0.00 H new ATOM 0 HA ASP A 73 9.355 3.047 10.434 1.00 0.00 H new ATOM 0 HB2 ASP A 73 10.210 2.049 7.711 1.00 0.00 H new ATOM 0 HB3 ASP A 73 11.216 2.462 9.085 1.00 0.00 H new ATOM 1142 N ALA A 74 8.038 4.159 7.669 1.00 0.00 N ATOM 1143 CA ALA A 74 7.771 5.349 6.858 1.00 0.00 C ATOM 1144 C ALA A 74 6.750 6.269 7.525 1.00 0.00 C ATOM 1145 O ALA A 74 6.493 6.168 8.725 1.00 0.00 O ATOM 1146 CB ALA A 74 7.268 4.942 5.480 1.00 0.00 C ATOM 0 H ALA A 74 7.458 3.354 7.432 1.00 0.00 H new ATOM 0 HA ALA A 74 8.708 5.897 6.760 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.073 5.835 4.886 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.023 4.333 4.983 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.348 4.367 5.584 1.00 0.00 H new ATOM 1152 N ARG A 75 6.172 7.169 6.729 1.00 0.00 N ATOM 1153 CA ARG A 75 5.174 8.113 7.222 1.00 0.00 C ATOM 1154 C ARG A 75 3.765 7.626 6.892 1.00 0.00 C ATOM 1155 O ARG A 75 3.551 6.437 6.656 1.00 0.00 O ATOM 1156 CB ARG A 75 5.403 9.493 6.600 1.00 0.00 C ATOM 1157 CG ARG A 75 6.867 9.883 6.485 1.00 0.00 C ATOM 1158 CD ARG A 75 7.552 9.899 7.840 1.00 0.00 C ATOM 1159 NE ARG A 75 6.904 10.819 8.771 1.00 0.00 N ATOM 1160 CZ ARG A 75 7.361 11.074 9.991 1.00 0.00 C ATOM 1161 NH1 ARG A 75 8.469 10.487 10.423 1.00 0.00 N ATOM 1162 NH2 ARG A 75 6.712 11.918 10.782 1.00 0.00 N ATOM 0 H ARG A 75 6.381 7.263 5.735 1.00 0.00 H new ATOM 0 HA ARG A 75 5.275 8.186 8.305 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.953 9.512 5.607 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.884 10.241 7.199 1.00 0.00 H new ATOM 0 HG2 ARG A 75 7.380 9.182 5.826 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.946 10.868 6.026 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.546 8.894 8.261 1.00 0.00 H new ATOM 0 HD3 ARG A 75 8.596 10.186 7.715 1.00 0.00 H new ATOM 0 HE ARG A 75 6.053 11.292 8.467 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.972 9.838 9.817 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.818 10.684 11.361 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.860 12.372 10.453 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.065 12.113 11.719 1.00 0.00 H new ATOM 1176 N ASP A 76 2.807 8.548 6.879 1.00 0.00 N ATOM 1177 CA ASP A 76 1.423 8.207 6.576 1.00 0.00 C ATOM 1178 C ASP A 76 1.012 8.756 5.212 1.00 0.00 C ATOM 1179 O ASP A 76 1.810 9.391 4.524 1.00 0.00 O ATOM 1180 CB ASP A 76 0.501 8.763 7.662 1.00 0.00 C ATOM 1181 CG ASP A 76 1.003 8.456 9.060 1.00 0.00 C ATOM 1182 OD1 ASP A 76 0.648 7.386 9.597 1.00 0.00 O ATOM 1183 OD2 ASP A 76 1.752 9.286 9.616 1.00 0.00 O ATOM 0 H ASP A 76 2.965 9.537 7.075 1.00 0.00 H new ATOM 0 HA ASP A 76 1.335 7.121 6.548 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.411 9.842 7.540 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.497 8.343 7.537 1.00 0.00 H new ATOM 1188 N LEU A 77 -0.238 8.512 4.823 1.00 0.00 N ATOM 1189 CA LEU A 77 -0.749 8.987 3.541 1.00 0.00 C ATOM 1190 C LEU A 77 -1.770 10.102 3.766 1.00 0.00 C ATOM 1191 O LEU A 77 -2.738 9.938 4.508 1.00 0.00 O ATOM 1192 CB LEU A 77 -1.321 7.813 2.726 1.00 0.00 C ATOM 1193 CG LEU A 77 -2.802 7.477 2.904 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -3.589 7.933 1.689 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -2.977 5.978 3.099 1.00 0.00 C ATOM 0 H LEU A 77 -0.915 7.988 5.378 1.00 0.00 H new ATOM 0 HA LEU A 77 0.066 9.411 2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.150 8.023 1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.743 6.922 2.971 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.177 7.997 3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.643 7.689 1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.479 9.011 1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.212 7.427 0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.035 5.749 3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.593 5.450 2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.429 5.660 3.986 1.00 0.00 H new ATOM 1207 N SER A 78 -1.523 11.249 3.139 1.00 0.00 N ATOM 1208 CA SER A 78 -2.387 12.415 3.297 1.00 0.00 C ATOM 1209 C SER A 78 -3.414 12.512 2.178 1.00 0.00 C ATOM 1210 O SER A 78 -3.554 11.599 1.372 1.00 0.00 O ATOM 1211 CB SER A 78 -1.542 13.689 3.336 1.00 0.00 C ATOM 1212 OG SER A 78 -0.561 13.618 4.356 1.00 0.00 O ATOM 0 H SER A 78 -0.729 11.396 2.515 1.00 0.00 H new ATOM 0 HA SER A 78 -2.927 12.302 4.237 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.058 13.838 2.371 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.186 14.552 3.506 1.00 0.00 H new ATOM 0 HG SER A 78 -0.033 14.443 4.360 1.00 0.00 H new ATOM 1218 N ALA A 79 -4.132 13.632 2.143 1.00 0.00 N ATOM 1219 CA ALA A 79 -5.155 13.863 1.129 1.00 0.00 C ATOM 1220 C ALA A 79 -4.641 13.541 -0.268 1.00 0.00 C ATOM 1221 O ALA A 79 -5.276 12.803 -1.020 1.00 0.00 O ATOM 1222 CB ALA A 79 -5.617 15.306 1.186 1.00 0.00 C ATOM 0 H ALA A 79 -4.022 14.397 2.809 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.993 13.199 1.340 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.381 15.474 0.427 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.032 15.516 2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.770 15.967 1.001 1.00 0.00 H new ATOM 1228 N LYS A 80 -3.486 14.103 -0.610 1.00 0.00 N ATOM 1229 CA LYS A 80 -2.888 13.872 -1.921 1.00 0.00 C ATOM 1230 C LYS A 80 -2.821 12.382 -2.233 1.00 0.00 C ATOM 1231 O LYS A 80 -3.289 11.941 -3.273 1.00 0.00 O ATOM 1232 CB LYS A 80 -1.481 14.471 -1.986 1.00 0.00 C ATOM 1233 CG LYS A 80 -1.459 15.984 -1.866 1.00 0.00 C ATOM 1234 CD LYS A 80 -0.155 16.567 -2.387 1.00 0.00 C ATOM 1235 CE LYS A 80 -0.082 18.065 -2.142 1.00 0.00 C ATOM 1236 NZ LYS A 80 1.129 18.672 -2.760 1.00 0.00 N ATOM 0 H LYS A 80 -2.947 14.719 -0.001 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.519 14.360 -2.664 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.875 14.043 -1.187 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.016 14.183 -2.929 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.295 16.406 -2.423 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.595 16.269 -0.823 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.686 16.075 -1.899 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.066 16.366 -3.455 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.974 18.543 -2.547 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.077 18.257 -1.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.141 19.694 -2.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.981 18.235 -2.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.112 18.511 -3.787 1.00 0.00 H new ATOM 1250 N GLU A 81 -2.237 11.618 -1.320 1.00 0.00 N ATOM 1251 CA GLU A 81 -2.105 10.183 -1.478 1.00 0.00 C ATOM 1252 C GLU A 81 -3.442 9.491 -1.268 1.00 0.00 C ATOM 1253 O GLU A 81 -3.692 8.427 -1.821 1.00 0.00 O ATOM 1254 CB GLU A 81 -1.082 9.628 -0.499 1.00 0.00 C ATOM 1255 CG GLU A 81 0.043 10.588 -0.132 1.00 0.00 C ATOM 1256 CD GLU A 81 0.755 11.153 -1.343 1.00 0.00 C ATOM 1257 OE1 GLU A 81 0.144 11.969 -2.064 1.00 0.00 O ATOM 1258 OE2 GLU A 81 1.925 10.780 -1.570 1.00 0.00 O ATOM 0 H GLU A 81 -1.843 11.979 -0.451 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.765 9.989 -2.495 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.598 9.331 0.414 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.645 8.725 -0.926 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.365 11.408 0.459 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.765 10.069 0.498 1.00 0.00 H new ATOM 1265 N THR A 82 -4.301 10.075 -0.452 1.00 0.00 N ATOM 1266 CA THR A 82 -5.609 9.488 -0.237 1.00 0.00 C ATOM 1267 C THR A 82 -6.326 9.462 -1.577 1.00 0.00 C ATOM 1268 O THR A 82 -6.856 8.437 -2.014 1.00 0.00 O ATOM 1269 CB THR A 82 -6.424 10.317 0.776 1.00 0.00 C ATOM 1270 OG1 THR A 82 -5.771 10.311 2.051 1.00 0.00 O ATOM 1271 CG2 THR A 82 -7.838 9.778 0.925 1.00 0.00 C ATOM 0 H THR A 82 -4.122 10.937 0.063 1.00 0.00 H new ATOM 0 HA THR A 82 -5.502 8.482 0.168 1.00 0.00 H new ATOM 0 HB THR A 82 -6.486 11.338 0.399 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.818 10.507 1.932 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.385 10.385 1.646 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.345 9.815 -0.039 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.799 8.746 1.275 1.00 0.00 H new ATOM 1279 N LYS A 83 -6.311 10.619 -2.219 1.00 0.00 N ATOM 1280 CA LYS A 83 -6.895 10.792 -3.533 1.00 0.00 C ATOM 1281 C LYS A 83 -5.999 10.193 -4.619 1.00 0.00 C ATOM 1282 O LYS A 83 -6.485 9.750 -5.654 1.00 0.00 O ATOM 1283 CB LYS A 83 -7.125 12.281 -3.805 1.00 0.00 C ATOM 1284 CG LYS A 83 -8.049 12.945 -2.798 1.00 0.00 C ATOM 1285 CD LYS A 83 -9.483 12.997 -3.302 1.00 0.00 C ATOM 1286 CE LYS A 83 -10.016 11.608 -3.619 1.00 0.00 C ATOM 1287 NZ LYS A 83 -11.411 11.657 -4.137 1.00 0.00 N ATOM 0 H LYS A 83 -5.890 11.467 -1.839 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.850 10.266 -3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.164 12.796 -3.799 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.544 12.399 -4.804 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.014 12.398 -1.856 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.698 13.956 -2.593 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.117 13.468 -2.550 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.533 13.619 -4.196 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.371 11.130 -4.356 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.983 10.992 -2.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.739 10.692 -4.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.031 12.090 -3.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.438 12.224 -5.009 1.00 0.00 H new ATOM 1301 N THR A 84 -4.683 10.213 -4.395 1.00 0.00 N ATOM 1302 CA THR A 84 -3.740 9.710 -5.387 1.00 0.00 C ATOM 1303 C THR A 84 -3.433 8.217 -5.251 1.00 0.00 C ATOM 1304 O THR A 84 -3.681 7.430 -6.168 1.00 0.00 O ATOM 1305 CB THR A 84 -2.416 10.502 -5.347 1.00 0.00 C ATOM 1306 OG1 THR A 84 -2.668 11.890 -5.600 1.00 0.00 O ATOM 1307 CG2 THR A 84 -1.432 9.977 -6.383 1.00 0.00 C ATOM 0 H THR A 84 -4.252 10.570 -3.542 1.00 0.00 H new ATOM 0 HA THR A 84 -4.237 9.852 -6.347 1.00 0.00 H new ATOM 0 HB THR A 84 -1.981 10.378 -4.355 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.828 12.353 -4.751 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.508 10.553 -6.332 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.217 8.928 -6.181 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.866 10.073 -7.378 1.00 0.00 H new ATOM 1315 N LEU A 85 -2.942 7.834 -4.084 1.00 0.00 N ATOM 1316 CA LEU A 85 -2.544 6.451 -3.830 1.00 0.00 C ATOM 1317 C LEU A 85 -3.727 5.504 -3.671 1.00 0.00 C ATOM 1318 O LEU A 85 -3.758 4.444 -4.295 1.00 0.00 O ATOM 1319 CB LEU A 85 -1.656 6.379 -2.585 1.00 0.00 C ATOM 1320 CG LEU A 85 -1.338 4.964 -2.098 1.00 0.00 C ATOM 1321 CD1 LEU A 85 -0.472 4.230 -3.110 1.00 0.00 C ATOM 1322 CD2 LEU A 85 -0.663 5.006 -0.735 1.00 0.00 C ATOM 0 H LEU A 85 -2.807 8.462 -3.291 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.990 6.123 -4.709 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.719 6.894 -2.796 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.144 6.924 -1.777 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.275 4.417 -1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.257 3.226 -2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.000 4.165 -4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.463 4.773 -3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.445 3.990 -0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.266 5.572 -0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.326 5.486 -0.015 1.00 0.00 H new ATOM 1334 N MET A 86 -4.702 5.871 -2.848 1.00 0.00 N ATOM 1335 CA MET A 86 -5.845 5.001 -2.635 1.00 0.00 C ATOM 1336 C MET A 86 -6.778 5.023 -3.835 1.00 0.00 C ATOM 1337 O MET A 86 -7.131 3.972 -4.370 1.00 0.00 O ATOM 1338 CB MET A 86 -6.591 5.399 -1.364 1.00 0.00 C ATOM 1339 CG MET A 86 -7.108 4.213 -0.564 1.00 0.00 C ATOM 1340 SD MET A 86 -5.822 3.006 -0.163 1.00 0.00 S ATOM 1341 CE MET A 86 -4.349 4.032 -0.145 1.00 0.00 C ATOM 0 H MET A 86 -4.723 6.748 -2.328 1.00 0.00 H new ATOM 0 HA MET A 86 -5.477 3.982 -2.514 1.00 0.00 H new ATOM 0 HB2 MET A 86 -5.927 5.990 -0.733 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.431 6.040 -1.632 1.00 0.00 H new ATOM 0 HG2 MET A 86 -7.558 4.575 0.360 1.00 0.00 H new ATOM 0 HG3 MET A 86 -7.897 3.718 -1.130 1.00 0.00 H new ATOM 0 HE1 MET A 86 -3.551 3.514 0.387 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.032 4.232 -1.169 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.568 4.974 0.357 1.00 0.00 H new ATOM 1351 N ALA A 87 -7.163 6.216 -4.275 1.00 0.00 N ATOM 1352 CA ALA A 87 -8.036 6.334 -5.435 1.00 0.00 C ATOM 1353 C ALA A 87 -7.440 5.573 -6.617 1.00 0.00 C ATOM 1354 O ALA A 87 -8.169 5.003 -7.430 1.00 0.00 O ATOM 1355 CB ALA A 87 -8.263 7.791 -5.787 1.00 0.00 C ATOM 0 H ALA A 87 -6.889 7.103 -3.853 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.004 5.894 -5.193 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -8.918 7.858 -6.656 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -8.727 8.301 -4.943 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.308 8.263 -6.015 1.00 0.00 H new ATOM 1361 N ALA A 88 -6.108 5.570 -6.709 1.00 0.00 N ATOM 1362 CA ALA A 88 -5.422 4.853 -7.772 1.00 0.00 C ATOM 1363 C ALA A 88 -5.509 3.351 -7.526 1.00 0.00 C ATOM 1364 O ALA A 88 -5.925 2.591 -8.402 1.00 0.00 O ATOM 1365 CB ALA A 88 -3.968 5.295 -7.861 1.00 0.00 C ATOM 0 H ALA A 88 -5.490 6.056 -6.060 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.907 5.083 -8.721 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.470 4.748 -8.662 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.925 6.364 -8.070 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.467 5.090 -6.915 1.00 0.00 H new ATOM 1371 N GLY A 89 -5.118 2.929 -6.325 1.00 0.00 N ATOM 1372 CA GLY A 89 -5.180 1.522 -5.979 1.00 0.00 C ATOM 1373 C GLY A 89 -6.588 0.983 -6.124 1.00 0.00 C ATOM 1374 O GLY A 89 -6.795 -0.143 -6.574 1.00 0.00 O ATOM 0 H GLY A 89 -4.760 3.537 -5.588 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.504 0.957 -6.621 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.838 1.382 -4.954 1.00 0.00 H new ATOM 1378 N ASP A 90 -7.556 1.809 -5.735 1.00 0.00 N ATOM 1379 CA ASP A 90 -8.970 1.468 -5.838 1.00 0.00 C ATOM 1380 C ASP A 90 -9.536 2.037 -7.135 1.00 0.00 C ATOM 1381 O ASP A 90 -10.671 2.490 -7.182 1.00 0.00 O ATOM 1382 CB ASP A 90 -9.764 1.984 -4.631 1.00 0.00 C ATOM 1383 CG ASP A 90 -9.787 3.497 -4.537 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -10.227 4.148 -5.505 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -9.375 4.032 -3.486 1.00 0.00 O ATOM 0 H ASP A 90 -7.381 2.733 -5.340 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.063 0.382 -5.846 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.788 1.614 -4.692 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.331 1.576 -3.718 1.00 0.00 H new ATOM 1390 N LYS A 91 -8.713 1.993 -8.181 1.00 0.00 N ATOM 1391 CA LYS A 91 -9.031 2.516 -9.502 1.00 0.00 C ATOM 1392 C LYS A 91 -10.520 2.464 -9.841 1.00 0.00 C ATOM 1393 O LYS A 91 -11.040 3.366 -10.497 1.00 0.00 O ATOM 1394 CB LYS A 91 -8.253 1.671 -10.490 1.00 0.00 C ATOM 1395 CG LYS A 91 -8.140 2.257 -11.868 1.00 0.00 C ATOM 1396 CD LYS A 91 -9.492 2.348 -12.547 1.00 0.00 C ATOM 1397 CE LYS A 91 -9.379 2.124 -14.047 1.00 0.00 C ATOM 1398 NZ LYS A 91 -10.709 2.161 -14.716 1.00 0.00 N ATOM 0 H LYS A 91 -7.782 1.581 -8.128 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.762 3.572 -9.539 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.250 1.508 -10.096 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.729 0.693 -10.564 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.695 3.250 -11.806 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.470 1.644 -12.471 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.167 1.607 -12.117 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.931 3.327 -12.356 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.733 2.888 -14.480 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.905 1.161 -14.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.588 2.004 -15.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.317 1.416 -14.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.151 3.089 -14.558 1.00 0.00 H new ATOM 1412 N ASP A 92 -11.201 1.424 -9.397 1.00 0.00 N ATOM 1413 CA ASP A 92 -12.633 1.297 -9.669 1.00 0.00 C ATOM 1414 C ASP A 92 -13.396 2.535 -9.183 1.00 0.00 C ATOM 1415 O ASP A 92 -14.518 2.795 -9.620 1.00 0.00 O ATOM 1416 CB ASP A 92 -13.195 0.041 -9.000 1.00 0.00 C ATOM 1417 CG ASP A 92 -14.669 -0.163 -9.299 1.00 0.00 C ATOM 1418 OD1 ASP A 92 -14.983 -0.802 -10.325 1.00 0.00 O ATOM 1419 OD2 ASP A 92 -15.507 0.316 -8.507 1.00 0.00 O ATOM 0 H ASP A 92 -10.799 0.661 -8.853 1.00 0.00 H new ATOM 0 HA ASP A 92 -12.764 1.213 -10.748 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.634 -0.830 -9.339 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -13.052 0.112 -7.922 1.00 0.00 H new ATOM 1424 N GLY A 93 -12.780 3.296 -8.278 1.00 0.00 N ATOM 1425 CA GLY A 93 -13.389 4.510 -7.767 1.00 0.00 C ATOM 1426 C GLY A 93 -14.301 4.275 -6.578 1.00 0.00 C ATOM 1427 O GLY A 93 -15.439 4.746 -6.559 1.00 0.00 O ATOM 0 H GLY A 93 -11.861 3.088 -7.888 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.603 5.208 -7.480 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.960 4.984 -8.565 1.00 0.00 H new ATOM 1431 N ASP A 94 -13.804 3.551 -5.585 1.00 0.00 N ATOM 1432 CA ASP A 94 -14.577 3.268 -4.380 1.00 0.00 C ATOM 1433 C ASP A 94 -13.967 3.954 -3.154 1.00 0.00 C ATOM 1434 O ASP A 94 -14.525 3.891 -2.059 1.00 0.00 O ATOM 1435 CB ASP A 94 -14.658 1.759 -4.145 1.00 0.00 C ATOM 1436 CG ASP A 94 -15.297 1.024 -5.307 1.00 0.00 C ATOM 1437 OD1 ASP A 94 -14.585 0.732 -6.290 1.00 0.00 O ATOM 1438 OD2 ASP A 94 -16.511 0.738 -5.232 1.00 0.00 O ATOM 0 H ASP A 94 -12.867 3.147 -5.589 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.582 3.664 -4.527 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.655 1.366 -3.978 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -15.231 1.566 -3.238 1.00 0.00 H new ATOM 1443 N GLY A 95 -12.820 4.610 -3.341 1.00 0.00 N ATOM 1444 CA GLY A 95 -12.153 5.285 -2.242 1.00 0.00 C ATOM 1445 C GLY A 95 -11.680 4.335 -1.161 1.00 0.00 C ATOM 1446 O GLY A 95 -11.281 4.762 -0.078 1.00 0.00 O ATOM 0 H GLY A 95 -12.342 4.684 -4.239 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.298 5.840 -2.629 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.835 6.014 -1.804 1.00 0.00 H new ATOM 1450 N LYS A 96 -11.703 3.048 -1.469 1.00 0.00 N ATOM 1451 CA LYS A 96 -11.272 2.015 -0.533 1.00 0.00 C ATOM 1452 C LYS A 96 -10.634 0.870 -1.307 1.00 0.00 C ATOM 1453 O LYS A 96 -11.093 0.519 -2.393 1.00 0.00 O ATOM 1454 CB LYS A 96 -12.458 1.483 0.295 1.00 0.00 C ATOM 1455 CG LYS A 96 -13.252 2.563 1.012 1.00 0.00 C ATOM 1456 CD LYS A 96 -14.695 2.594 0.538 1.00 0.00 C ATOM 1457 CE LYS A 96 -15.240 4.014 0.513 1.00 0.00 C ATOM 1458 NZ LYS A 96 -15.470 4.548 1.884 1.00 0.00 N ATOM 0 H LYS A 96 -12.019 2.688 -2.370 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.548 2.452 0.154 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.129 0.932 -0.364 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.082 0.774 1.033 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.224 2.385 2.087 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.789 3.534 0.838 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -14.761 2.159 -0.459 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -15.309 1.978 1.195 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.540 4.661 -0.015 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -16.176 4.033 -0.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.222 5.266 1.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.755 3.772 2.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -14.593 4.979 2.240 1.00 0.00 H new ATOM 1472 N ILE A 97 -9.580 0.288 -0.752 1.00 0.00 N ATOM 1473 CA ILE A 97 -8.899 -0.809 -1.422 1.00 0.00 C ATOM 1474 C ILE A 97 -9.099 -2.127 -0.687 1.00 0.00 C ATOM 1475 O ILE A 97 -8.608 -2.312 0.423 1.00 0.00 O ATOM 1476 CB ILE A 97 -7.383 -0.546 -1.552 1.00 0.00 C ATOM 1477 CG1 ILE A 97 -7.121 0.769 -2.290 1.00 0.00 C ATOM 1478 CG2 ILE A 97 -6.704 -1.702 -2.276 1.00 0.00 C ATOM 1479 CD1 ILE A 97 -5.659 1.009 -2.593 1.00 0.00 C ATOM 0 H ILE A 97 -9.182 0.553 0.149 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.341 -0.877 -2.416 1.00 0.00 H new ATOM 0 HB ILE A 97 -6.964 -0.466 -0.549 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.683 0.770 -3.224 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.500 1.596 -1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.636 -1.502 -2.360 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.857 -2.623 -1.714 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.132 -1.809 -3.273 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.547 1.958 -3.117 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.095 1.040 -1.661 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.280 0.202 -3.220 1.00 0.00 H new ATOM 1491 N GLY A 98 -9.830 -3.037 -1.312 1.00 0.00 N ATOM 1492 CA GLY A 98 -10.040 -4.339 -0.721 1.00 0.00 C ATOM 1493 C GLY A 98 -9.017 -5.328 -1.231 1.00 0.00 C ATOM 1494 O GLY A 98 -8.019 -4.931 -1.833 1.00 0.00 O ATOM 0 H GLY A 98 -10.280 -2.896 -2.216 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -9.973 -4.266 0.365 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.044 -4.693 -0.956 1.00 0.00 H new ATOM 1498 N VAL A 99 -9.247 -6.608 -0.999 1.00 0.00 N ATOM 1499 CA VAL A 99 -8.319 -7.625 -1.467 1.00 0.00 C ATOM 1500 C VAL A 99 -8.211 -7.596 -2.990 1.00 0.00 C ATOM 1501 O VAL A 99 -7.153 -7.880 -3.554 1.00 0.00 O ATOM 1502 CB VAL A 99 -8.741 -9.036 -1.013 1.00 0.00 C ATOM 1503 CG1 VAL A 99 -10.073 -9.424 -1.630 1.00 0.00 C ATOM 1504 CG2 VAL A 99 -7.667 -10.054 -1.365 1.00 0.00 C ATOM 0 H VAL A 99 -10.058 -6.967 -0.495 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.348 -7.397 -1.027 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.860 -9.025 0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -10.351 -10.423 -1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -10.838 -8.712 -1.321 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -9.987 -9.416 -2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.983 -11.044 -1.037 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.512 -10.062 -2.444 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.735 -9.787 -0.867 1.00 0.00 H new ATOM 1514 N GLU A 100 -9.313 -7.247 -3.651 1.00 0.00 N ATOM 1515 CA GLU A 100 -9.343 -7.184 -5.114 1.00 0.00 C ATOM 1516 C GLU A 100 -8.598 -5.957 -5.622 1.00 0.00 C ATOM 1517 O GLU A 100 -7.688 -6.057 -6.445 1.00 0.00 O ATOM 1518 CB GLU A 100 -10.778 -7.133 -5.662 1.00 0.00 C ATOM 1519 CG GLU A 100 -11.859 -7.495 -4.671 1.00 0.00 C ATOM 1520 CD GLU A 100 -11.712 -8.902 -4.128 1.00 0.00 C ATOM 1521 OE1 GLU A 100 -11.002 -9.711 -4.761 1.00 0.00 O ATOM 1522 OE2 GLU A 100 -12.313 -9.199 -3.074 1.00 0.00 O ATOM 0 H GLU A 100 -10.195 -7.004 -3.200 1.00 0.00 H new ATOM 0 HA GLU A 100 -8.858 -8.094 -5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -10.972 -6.127 -6.035 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -10.848 -7.808 -6.515 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.838 -6.787 -3.843 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -12.833 -7.396 -5.150 1.00 0.00 H new ATOM 1529 N GLU A 101 -9.001 -4.798 -5.112 1.00 0.00 N ATOM 1530 CA GLU A 101 -8.411 -3.526 -5.516 1.00 0.00 C ATOM 1531 C GLU A 101 -6.908 -3.473 -5.272 1.00 0.00 C ATOM 1532 O GLU A 101 -6.166 -2.909 -6.077 1.00 0.00 O ATOM 1533 CB GLU A 101 -9.092 -2.377 -4.784 1.00 0.00 C ATOM 1534 CG GLU A 101 -10.485 -2.068 -5.307 1.00 0.00 C ATOM 1535 CD GLU A 101 -11.362 -3.300 -5.415 1.00 0.00 C ATOM 1536 OE1 GLU A 101 -11.803 -3.808 -4.362 1.00 0.00 O ATOM 1537 OE2 GLU A 101 -11.609 -3.755 -6.551 1.00 0.00 O ATOM 0 H GLU A 101 -9.739 -4.713 -4.413 1.00 0.00 H new ATOM 0 HA GLU A 101 -8.569 -3.429 -6.590 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.156 -2.619 -3.723 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.473 -1.484 -4.870 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.963 -1.345 -4.647 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.404 -1.599 -6.288 1.00 0.00 H new ATOM 1544 N PHE A 102 -6.452 -4.055 -4.168 1.00 0.00 N ATOM 1545 CA PHE A 102 -5.028 -4.042 -3.852 1.00 0.00 C ATOM 1546 C PHE A 102 -4.214 -4.550 -5.036 1.00 0.00 C ATOM 1547 O PHE A 102 -3.038 -4.216 -5.183 1.00 0.00 O ATOM 1548 CB PHE A 102 -4.736 -4.869 -2.607 1.00 0.00 C ATOM 1549 CG PHE A 102 -3.601 -4.314 -1.800 1.00 0.00 C ATOM 1550 CD1 PHE A 102 -3.759 -3.162 -1.047 1.00 0.00 C ATOM 1551 CD2 PHE A 102 -2.378 -4.942 -1.803 1.00 0.00 C ATOM 1552 CE1 PHE A 102 -2.708 -2.650 -0.309 1.00 0.00 C ATOM 1553 CE2 PHE A 102 -1.320 -4.440 -1.069 1.00 0.00 C ATOM 1554 CZ PHE A 102 -1.485 -3.292 -0.321 1.00 0.00 C ATOM 0 H PHE A 102 -7.038 -4.535 -3.485 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.737 -3.012 -3.647 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -5.631 -4.913 -1.986 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -4.502 -5.892 -2.901 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -4.714 -2.658 -1.036 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -2.242 -5.840 -2.387 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.843 -1.751 0.275 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -0.366 -4.945 -1.081 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.660 -2.897 0.253 1.00 0.00 H new ATOM 1564 N SER A 103 -4.846 -5.362 -5.877 1.00 0.00 N ATOM 1565 CA SER A 103 -4.184 -5.890 -7.060 1.00 0.00 C ATOM 1566 C SER A 103 -4.142 -4.818 -8.143 1.00 0.00 C ATOM 1567 O SER A 103 -3.125 -4.637 -8.815 1.00 0.00 O ATOM 1568 CB SER A 103 -4.910 -7.134 -7.578 1.00 0.00 C ATOM 1569 OG SER A 103 -6.153 -6.793 -8.166 1.00 0.00 O ATOM 0 H SER A 103 -5.812 -5.667 -5.760 1.00 0.00 H new ATOM 0 HA SER A 103 -3.166 -6.176 -6.794 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.285 -7.644 -8.311 1.00 0.00 H new ATOM 0 HB3 SER A 103 -5.072 -7.832 -6.757 1.00 0.00 H new ATOM 0 HG SER A 103 -6.873 -6.945 -7.519 1.00 0.00 H new ATOM 1575 N THR A 104 -5.256 -4.104 -8.301 1.00 0.00 N ATOM 1576 CA THR A 104 -5.348 -3.039 -9.293 1.00 0.00 C ATOM 1577 C THR A 104 -4.234 -2.020 -9.086 1.00 0.00 C ATOM 1578 O THR A 104 -3.618 -1.551 -10.043 1.00 0.00 O ATOM 1579 CB THR A 104 -6.714 -2.324 -9.231 1.00 0.00 C ATOM 1580 OG1 THR A 104 -7.773 -3.288 -9.267 1.00 0.00 O ATOM 1581 CG2 THR A 104 -6.868 -1.357 -10.398 1.00 0.00 C ATOM 0 H THR A 104 -6.105 -4.245 -7.754 1.00 0.00 H new ATOM 0 HA THR A 104 -5.243 -3.500 -10.275 1.00 0.00 H new ATOM 0 HB THR A 104 -6.764 -1.762 -8.299 1.00 0.00 H new ATOM 0 HG1 THR A 104 -8.637 -2.827 -9.226 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.838 -0.863 -10.336 1.00 0.00 H new ATOM 0 HG22 THR A 104 -6.076 -0.609 -10.357 1.00 0.00 H new ATOM 0 HG23 THR A 104 -6.800 -1.906 -11.337 1.00 0.00 H new ATOM 1589 N LEU A 105 -3.982 -1.679 -7.824 1.00 0.00 N ATOM 1590 CA LEU A 105 -2.927 -0.733 -7.482 1.00 0.00 C ATOM 1591 C LEU A 105 -1.607 -1.204 -8.083 1.00 0.00 C ATOM 1592 O LEU A 105 -0.815 -0.403 -8.576 1.00 0.00 O ATOM 1593 CB LEU A 105 -2.811 -0.613 -5.960 1.00 0.00 C ATOM 1594 CG LEU A 105 -2.159 0.671 -5.446 1.00 0.00 C ATOM 1595 CD1 LEU A 105 -2.005 0.625 -3.935 1.00 0.00 C ATOM 1596 CD2 LEU A 105 -0.823 0.893 -6.125 1.00 0.00 C ATOM 0 H LEU A 105 -4.495 -2.045 -7.022 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.170 0.248 -7.890 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.810 -0.689 -5.530 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.239 -1.463 -5.589 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.807 1.513 -5.690 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.539 1.548 -3.588 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.986 0.518 -3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.379 -0.224 -3.659 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.372 1.811 -5.748 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.163 0.051 -5.914 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.971 0.977 -7.202 1.00 0.00 H new ATOM 1608 N VAL A 106 -1.383 -2.516 -8.043 1.00 0.00 N ATOM 1609 CA VAL A 106 -0.168 -3.089 -8.604 1.00 0.00 C ATOM 1610 C VAL A 106 -0.034 -2.683 -10.063 1.00 0.00 C ATOM 1611 O VAL A 106 1.072 -2.488 -10.570 1.00 0.00 O ATOM 1612 CB VAL A 106 -0.160 -4.625 -8.505 1.00 0.00 C ATOM 1613 CG1 VAL A 106 1.152 -5.185 -9.030 1.00 0.00 C ATOM 1614 CG2 VAL A 106 -0.404 -5.069 -7.070 1.00 0.00 C ATOM 0 H VAL A 106 -2.023 -3.195 -7.631 1.00 0.00 H new ATOM 0 HA VAL A 106 0.673 -2.706 -8.026 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.968 -5.016 -9.123 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.140 -6.272 -8.953 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.279 -4.897 -10.074 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.979 -4.788 -8.441 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.395 -6.158 -7.019 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.380 -4.669 -6.427 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -1.372 -4.698 -6.734 1.00 0.00 H new ATOM 1624 N ALA A 107 -1.177 -2.561 -10.734 1.00 0.00 N ATOM 1625 CA ALA A 107 -1.204 -2.157 -12.131 1.00 0.00 C ATOM 1626 C ALA A 107 -0.984 -0.656 -12.242 1.00 0.00 C ATOM 1627 O ALA A 107 -0.360 -0.175 -13.189 1.00 0.00 O ATOM 1628 CB ALA A 107 -2.524 -2.555 -12.775 1.00 0.00 C ATOM 0 H ALA A 107 -2.096 -2.737 -10.329 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.400 -2.668 -12.661 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.527 -2.245 -13.820 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -2.646 -3.637 -12.717 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -3.346 -2.069 -12.250 1.00 0.00 H new ATOM 1634 N GLU A 108 -1.501 0.083 -11.262 1.00 0.00 N ATOM 1635 CA GLU A 108 -1.346 1.531 -11.235 1.00 0.00 C ATOM 1636 C GLU A 108 0.110 1.896 -11.019 1.00 0.00 C ATOM 1637 O GLU A 108 0.758 2.491 -11.881 1.00 0.00 O ATOM 1638 CB GLU A 108 -2.179 2.148 -10.115 1.00 0.00 C ATOM 1639 CG GLU A 108 -3.666 1.912 -10.279 1.00 0.00 C ATOM 1640 CD GLU A 108 -4.363 3.059 -10.983 1.00 0.00 C ATOM 1641 OE1 GLU A 108 -4.787 4.009 -10.294 1.00 0.00 O ATOM 1642 OE2 GLU A 108 -4.484 3.007 -12.225 1.00 0.00 O ATOM 0 H GLU A 108 -2.030 -0.299 -10.478 1.00 0.00 H new ATOM 0 HA GLU A 108 -1.690 1.921 -12.193 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.855 1.735 -9.160 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.990 3.221 -10.079 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.824 0.993 -10.844 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.117 1.764 -9.298 1.00 0.00 H new ATOM 1649 N SER A 109 0.615 1.524 -9.845 1.00 0.00 N ATOM 1650 CA SER A 109 1.974 1.790 -9.452 1.00 0.00 C ATOM 1651 C SER A 109 2.957 1.543 -10.597 1.00 0.00 C ATOM 1652 O SER A 109 3.194 2.484 -11.383 1.00 0.00 O ATOM 1653 CB SER A 109 2.305 0.900 -8.270 1.00 0.00 C ATOM 1654 OG SER A 109 2.119 -0.468 -8.586 1.00 0.00 O ATOM 1655 OXT SER A 109 3.477 0.412 -10.695 1.00 0.00 O ATOM 0 H SER A 109 0.075 1.023 -9.139 1.00 0.00 H new ATOM 0 HA SER A 109 2.067 2.841 -9.179 1.00 0.00 H new ATOM 0 HB2 SER A 109 3.338 1.067 -7.964 1.00 0.00 H new ATOM 0 HB3 SER A 109 1.674 1.168 -7.422 1.00 0.00 H new ATOM 0 HG SER A 109 2.248 -0.602 -9.548 1.00 0.00 H new