USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 717 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 56:sc= 1.19 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 160:sc= -2.21 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 26 HIS : no HD1:sc= -2.17 K(o=-2.2,f=-6.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -156:sc= -0.0514 (180deg=-0.364) USER MOD Single : A 30 TYR OH : rot -86:sc= 0.173 USER MOD Single : A 32 SER OG : rot -88:sc= 0.332 USER MOD Single : A 35 THR OG1 : rot 71:sc= 0.0739 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.463 X(o=-0.46,f=-0.19) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.384 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0481 USER MOD Single : A 55 SER OG : rot -140:sc= -0.893 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.0217 K(o=-0.022,f=-1.7!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 63 SER OG : rot -67:sc= 0.879 USER MOD Single : A 70 ASN : amide:sc= -0.133 K(o=-0.13,f=-1.7!) USER MOD Single : A 75 GLN : amide:sc= -0.379 K(o=-0.38,f=-1.5!) USER MOD Single : A 77 ASN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -131:sc= 1.28 USER MOD Single : A 83 SER OG : rot 4:sc= -0.137 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 130:sc= -0.491 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 14 N ASP A 2 -10.560 -1.901 -2.847 1.00 0.00 N ATOM 15 CA ASP A 2 -10.339 -3.366 -2.688 1.00 0.00 C ATOM 16 C ASP A 2 -8.861 -3.661 -2.435 1.00 0.00 C ATOM 17 O ASP A 2 -7.979 -2.980 -2.924 1.00 0.00 O ATOM 18 CB ASP A 2 -10.793 -4.082 -3.966 1.00 0.00 C ATOM 19 CG ASP A 2 -12.324 -4.125 -4.024 1.00 0.00 C ATOM 20 OD1 ASP A 2 -12.950 -3.453 -3.222 1.00 0.00 O ATOM 21 OD2 ASP A 2 -12.841 -4.833 -4.874 1.00 0.00 O ATOM 0 HA ASP A 2 -10.915 -3.722 -1.834 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -10.402 -3.564 -4.842 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.391 -5.095 -3.988 1.00 0.00 H new ATOM 26 N LEU A 3 -8.599 -4.681 -1.667 1.00 0.00 N ATOM 27 CA LEU A 3 -7.198 -5.063 -1.349 1.00 0.00 C ATOM 28 C LEU A 3 -6.566 -5.765 -2.545 1.00 0.00 C ATOM 29 O LEU A 3 -7.121 -6.685 -3.106 1.00 0.00 O ATOM 30 CB LEU A 3 -7.194 -5.993 -0.130 1.00 0.00 C ATOM 31 CG LEU A 3 -5.750 -6.481 0.157 1.00 0.00 C ATOM 32 CD1 LEU A 3 -5.481 -6.470 1.668 1.00 0.00 C ATOM 33 CD2 LEU A 3 -5.564 -7.911 -0.380 1.00 0.00 C ATOM 0 H LEU A 3 -9.310 -5.275 -1.240 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.618 -4.168 -1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.590 -5.468 0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.847 -6.847 -0.311 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.049 -5.810 -0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.465 -6.814 1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.599 -5.456 2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.188 -7.132 2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.548 -8.247 -0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.273 -8.579 0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.740 -7.921 -1.456 1.00 0.00 H new ATOM 45 N VAL A 4 -5.400 -5.323 -2.935 1.00 0.00 N ATOM 46 CA VAL A 4 -4.701 -5.942 -4.103 1.00 0.00 C ATOM 47 C VAL A 4 -3.202 -6.059 -3.839 1.00 0.00 C ATOM 48 O VAL A 4 -2.655 -5.435 -2.951 1.00 0.00 O ATOM 49 CB VAL A 4 -4.930 -5.083 -5.343 1.00 0.00 C ATOM 50 CG1 VAL A 4 -6.423 -5.048 -5.663 1.00 0.00 C ATOM 51 CG2 VAL A 4 -4.425 -3.658 -5.091 1.00 0.00 C ATOM 0 H VAL A 4 -4.897 -4.554 -2.492 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.106 -6.942 -4.260 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.384 -5.510 -6.184 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.591 -4.435 -6.549 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.779 -6.061 -5.850 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.966 -4.623 -4.819 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.592 -3.050 -5.980 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.964 -3.224 -4.249 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.359 -3.684 -4.864 1.00 0.00 H new ATOM 61 N LYS A 5 -2.545 -6.868 -4.623 1.00 0.00 N ATOM 62 CA LYS A 5 -1.077 -7.074 -4.471 1.00 0.00 C ATOM 63 C LYS A 5 -0.319 -5.847 -4.961 1.00 0.00 C ATOM 64 O LYS A 5 -0.751 -5.141 -5.850 1.00 0.00 O ATOM 65 CB LYS A 5 -0.647 -8.301 -5.273 1.00 0.00 C ATOM 66 CG LYS A 5 -1.211 -9.562 -4.613 1.00 0.00 C ATOM 67 CD LYS A 5 -0.693 -10.809 -5.340 1.00 0.00 C ATOM 68 CE LYS A 5 -1.403 -10.964 -6.690 1.00 0.00 C ATOM 69 NZ LYS A 5 -1.154 -12.329 -7.229 1.00 0.00 N ATOM 0 H LYS A 5 -2.972 -7.405 -5.377 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.848 -7.230 -3.417 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.006 -8.223 -6.299 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.441 -8.356 -5.319 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.919 -9.595 -3.563 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.300 -9.541 -4.640 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.383 -10.729 -5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.863 -11.694 -4.727 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.474 -10.798 -6.571 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.041 -10.213 -7.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.636 -12.434 -8.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.132 -12.470 -7.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.520 -13.038 -6.562 1.00 0.00 H new ATOM 83 N ILE A 6 0.817 -5.601 -4.372 1.00 0.00 N ATOM 84 CA ILE A 6 1.637 -4.424 -4.759 1.00 0.00 C ATOM 85 C ILE A 6 2.091 -4.583 -6.212 1.00 0.00 C ATOM 86 O ILE A 6 2.077 -3.644 -6.983 1.00 0.00 O ATOM 87 CB ILE A 6 2.875 -4.341 -3.848 1.00 0.00 C ATOM 88 CG1 ILE A 6 2.439 -3.993 -2.416 1.00 0.00 C ATOM 89 CG2 ILE A 6 3.815 -3.251 -4.373 1.00 0.00 C ATOM 90 CD1 ILE A 6 3.631 -4.119 -1.456 1.00 0.00 C ATOM 0 H ILE A 6 1.216 -6.174 -3.629 1.00 0.00 H new ATOM 0 HA ILE A 6 1.045 -3.515 -4.654 1.00 0.00 H new ATOM 0 HB ILE A 6 3.390 -5.301 -3.845 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.043 -2.978 -2.385 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.636 -4.659 -2.100 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.694 -3.188 -3.731 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.125 -3.496 -5.389 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.296 -2.292 -4.373 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.311 -3.870 -0.444 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.008 -5.142 -1.476 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.421 -3.435 -1.765 1.00 0.00 H new ATOM 102 N ARG A 7 2.503 -5.762 -6.577 1.00 0.00 N ATOM 103 CA ARG A 7 2.981 -6.001 -7.966 1.00 0.00 C ATOM 104 C ARG A 7 1.804 -5.927 -8.939 1.00 0.00 C ATOM 105 O ARG A 7 1.984 -5.793 -10.132 1.00 0.00 O ATOM 106 CB ARG A 7 3.625 -7.395 -8.041 1.00 0.00 C ATOM 107 CG ARG A 7 4.543 -7.474 -9.284 1.00 0.00 C ATOM 108 CD ARG A 7 5.990 -7.157 -8.886 1.00 0.00 C ATOM 109 NE ARG A 7 6.052 -5.806 -8.247 1.00 0.00 N ATOM 110 CZ ARG A 7 6.189 -4.724 -8.975 1.00 0.00 C ATOM 111 NH1 ARG A 7 6.273 -4.805 -10.277 1.00 0.00 N ATOM 112 NH2 ARG A 7 6.252 -3.559 -8.394 1.00 0.00 N ATOM 0 H ARG A 7 2.530 -6.579 -5.967 1.00 0.00 H new ATOM 0 HA ARG A 7 3.714 -5.241 -8.236 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.202 -7.590 -7.137 1.00 0.00 H new ATOM 0 HB3 ARG A 7 2.852 -8.162 -8.097 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.488 -8.469 -9.725 1.00 0.00 H new ATOM 0 HG3 ARG A 7 4.203 -6.770 -10.043 1.00 0.00 H new ATOM 0 HD2 ARG A 7 6.362 -7.914 -8.195 1.00 0.00 H new ATOM 0 HD3 ARG A 7 6.634 -7.184 -9.765 1.00 0.00 H new ATOM 0 HE ARG A 7 5.987 -5.725 -7.232 1.00 0.00 H new ATOM 0 HH11 ARG A 7 6.232 -5.715 -10.735 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.379 -3.958 -10.835 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.195 -3.492 -7.378 1.00 0.00 H new ATOM 0 HH22 ARG A 7 6.359 -2.714 -8.956 1.00 0.00 H new ATOM 126 N ASP A 8 0.605 -6.026 -8.438 1.00 0.00 N ATOM 127 CA ASP A 8 -0.598 -5.972 -9.323 1.00 0.00 C ATOM 128 C ASP A 8 -1.096 -4.525 -9.411 1.00 0.00 C ATOM 129 O ASP A 8 -2.133 -4.254 -9.980 1.00 0.00 O ATOM 130 CB ASP A 8 -1.693 -6.870 -8.736 1.00 0.00 C ATOM 131 CG ASP A 8 -2.874 -6.929 -9.707 1.00 0.00 C ATOM 132 OD1 ASP A 8 -2.710 -6.497 -10.834 1.00 0.00 O ATOM 133 OD2 ASP A 8 -3.922 -7.409 -9.304 1.00 0.00 O ATOM 0 H ASP A 8 0.402 -6.143 -7.445 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.343 -6.323 -10.323 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.302 -7.872 -8.560 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.020 -6.481 -7.771 1.00 0.00 H new ATOM 138 N VAL A 9 -0.362 -3.599 -8.848 1.00 0.00 N ATOM 139 CA VAL A 9 -0.783 -2.166 -8.892 1.00 0.00 C ATOM 140 C VAL A 9 -0.734 -1.654 -10.325 1.00 0.00 C ATOM 141 O VAL A 9 0.222 -1.862 -11.045 1.00 0.00 O ATOM 142 CB VAL A 9 0.148 -1.322 -8.008 1.00 0.00 C ATOM 143 CG1 VAL A 9 -0.160 0.168 -8.213 1.00 0.00 C ATOM 144 CG2 VAL A 9 -0.080 -1.688 -6.536 1.00 0.00 C ATOM 0 H VAL A 9 0.515 -3.775 -8.358 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.804 -2.085 -8.519 1.00 0.00 H new ATOM 0 HB VAL A 9 1.185 -1.520 -8.280 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.501 0.766 -7.585 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.003 0.431 -9.259 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.197 0.366 -7.940 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.579 -1.091 -5.906 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.117 -1.488 -6.268 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.136 -2.746 -6.386 1.00 0.00 H new ATOM 154 N SER A 10 -1.772 -0.983 -10.735 1.00 0.00 N ATOM 155 CA SER A 10 -1.830 -0.440 -12.119 1.00 0.00 C ATOM 156 C SER A 10 -2.735 0.790 -12.169 1.00 0.00 C ATOM 157 O SER A 10 -3.472 1.084 -11.249 1.00 0.00 O ATOM 158 CB SER A 10 -2.376 -1.508 -13.062 1.00 0.00 C ATOM 159 OG SER A 10 -3.614 -1.994 -12.561 1.00 0.00 O ATOM 0 H SER A 10 -2.593 -0.785 -10.163 1.00 0.00 H new ATOM 0 HA SER A 10 -0.825 -0.153 -12.427 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.514 -1.091 -14.060 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.662 -2.327 -13.154 1.00 0.00 H new ATOM 0 HG SER A 10 -3.966 -2.679 -13.167 1.00 0.00 H new ATOM 165 N LEU A 11 -2.665 1.512 -13.249 1.00 0.00 N ATOM 166 CA LEU A 11 -3.489 2.745 -13.411 1.00 0.00 C ATOM 167 C LEU A 11 -4.944 2.349 -13.652 1.00 0.00 C ATOM 168 O LEU A 11 -5.828 3.181 -13.649 1.00 0.00 O ATOM 169 CB LEU A 11 -2.963 3.538 -14.617 1.00 0.00 C ATOM 170 CG LEU A 11 -1.464 3.810 -14.442 1.00 0.00 C ATOM 171 CD1 LEU A 11 -0.946 4.627 -15.633 1.00 0.00 C ATOM 172 CD2 LEU A 11 -1.225 4.590 -13.141 1.00 0.00 C ATOM 0 H LEU A 11 -2.061 1.298 -14.043 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.426 3.359 -12.512 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.136 2.978 -15.536 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.505 4.479 -14.710 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.931 2.860 -14.395 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.119 4.819 -15.507 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.107 4.068 -16.555 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.482 5.575 -15.685 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.158 4.780 -13.022 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.761 5.538 -13.182 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.586 4.005 -12.295 1.00 0.00 H new ATOM 184 N SER A 12 -5.191 1.086 -13.862 1.00 0.00 N ATOM 185 CA SER A 12 -6.586 0.613 -14.105 1.00 0.00 C ATOM 186 C SER A 12 -7.351 0.626 -12.783 1.00 0.00 C ATOM 187 O SER A 12 -8.560 0.542 -12.761 1.00 0.00 O ATOM 188 CB SER A 12 -6.548 -0.813 -14.662 1.00 0.00 C ATOM 189 OG SER A 12 -6.160 -0.767 -16.027 1.00 0.00 O ATOM 0 H SER A 12 -4.481 0.354 -13.876 1.00 0.00 H new ATOM 0 HA SER A 12 -7.081 1.267 -14.823 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.846 -1.421 -14.092 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.528 -1.281 -14.565 1.00 0.00 H new ATOM 0 HG SER A 12 -6.132 -1.677 -16.390 1.00 0.00 H new ATOM 195 N THR A 13 -6.646 0.733 -11.687 1.00 0.00 N ATOM 196 CA THR A 13 -7.307 0.760 -10.342 1.00 0.00 C ATOM 197 C THR A 13 -6.932 2.067 -9.629 1.00 0.00 C ATOM 198 O THR A 13 -6.013 2.107 -8.832 1.00 0.00 O ATOM 199 CB THR A 13 -6.819 -0.437 -9.515 1.00 0.00 C ATOM 200 OG1 THR A 13 -5.430 -0.308 -9.245 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.077 -1.732 -10.288 1.00 0.00 C ATOM 0 H THR A 13 -5.629 0.804 -11.663 1.00 0.00 H new ATOM 0 HA THR A 13 -8.389 0.703 -10.456 1.00 0.00 H new ATOM 0 HB THR A 13 -7.362 -0.464 -8.570 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.261 0.550 -8.802 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.730 -2.582 -9.700 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.145 -1.835 -10.479 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.540 -1.703 -11.236 1.00 0.00 H new ATOM 209 N PRO A 14 -7.647 3.133 -9.911 1.00 0.00 N ATOM 210 CA PRO A 14 -7.383 4.466 -9.292 1.00 0.00 C ATOM 211 C PRO A 14 -7.355 4.382 -7.766 1.00 0.00 C ATOM 212 O PRO A 14 -6.529 4.995 -7.122 1.00 0.00 O ATOM 213 CB PRO A 14 -8.569 5.335 -9.755 1.00 0.00 C ATOM 214 CG PRO A 14 -9.069 4.680 -11.004 1.00 0.00 C ATOM 215 CD PRO A 14 -8.769 3.186 -10.861 1.00 0.00 C ATOM 0 HA PRO A 14 -6.414 4.867 -9.588 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -9.348 5.377 -8.993 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.255 6.361 -9.947 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -10.138 4.851 -11.130 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.574 5.093 -11.883 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -9.635 2.640 -10.486 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.501 2.740 -11.819 1.00 0.00 H new ATOM 223 N TYR A 15 -8.261 3.626 -7.194 1.00 0.00 N ATOM 224 CA TYR A 15 -8.314 3.487 -5.704 1.00 0.00 C ATOM 225 C TYR A 15 -8.047 2.041 -5.306 1.00 0.00 C ATOM 226 O TYR A 15 -8.618 1.115 -5.843 1.00 0.00 O ATOM 227 CB TYR A 15 -9.695 3.908 -5.196 1.00 0.00 C ATOM 228 CG TYR A 15 -9.890 5.386 -5.441 1.00 0.00 C ATOM 229 CD1 TYR A 15 -9.203 6.321 -4.657 1.00 0.00 C ATOM 230 CD2 TYR A 15 -10.755 5.822 -6.453 1.00 0.00 C ATOM 231 CE1 TYR A 15 -9.382 7.692 -4.883 1.00 0.00 C ATOM 232 CE2 TYR A 15 -10.934 7.192 -6.678 1.00 0.00 C ATOM 233 CZ TYR A 15 -10.247 8.127 -5.894 1.00 0.00 C ATOM 234 OH TYR A 15 -10.424 9.477 -6.117 1.00 0.00 O ATOM 0 H TYR A 15 -8.971 3.096 -7.699 1.00 0.00 H new ATOM 0 HA TYR A 15 -7.552 4.128 -5.261 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -10.472 3.338 -5.706 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -9.786 3.689 -4.132 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -8.535 5.985 -3.878 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -11.284 5.101 -7.059 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.853 8.413 -4.277 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -11.602 7.528 -7.457 1.00 0.00 H new ATOM 0 HH TYR A 15 -11.056 9.607 -6.855 1.00 0.00 H new ATOM 244 N VAL A 16 -7.173 1.854 -4.356 1.00 0.00 N ATOM 245 CA VAL A 16 -6.841 0.475 -3.885 1.00 0.00 C ATOM 246 C VAL A 16 -6.447 0.491 -2.411 1.00 0.00 C ATOM 247 O VAL A 16 -6.349 1.524 -1.776 1.00 0.00 O ATOM 248 CB VAL A 16 -5.679 -0.099 -4.701 1.00 0.00 C ATOM 249 CG1 VAL A 16 -6.083 -0.207 -6.168 1.00 0.00 C ATOM 250 CG2 VAL A 16 -4.445 0.804 -4.574 1.00 0.00 C ATOM 0 H VAL A 16 -6.669 2.602 -3.880 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.726 -0.147 -4.017 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.436 -1.090 -4.317 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.253 -0.616 -6.745 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.948 -0.864 -6.260 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.337 0.782 -6.549 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.626 0.385 -5.159 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.684 1.801 -4.946 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.148 0.869 -3.527 1.00 0.00 H new ATOM 260 N SER A 17 -6.220 -0.676 -1.871 1.00 0.00 N ATOM 261 CA SER A 17 -5.814 -0.804 -0.441 1.00 0.00 C ATOM 262 C SER A 17 -4.657 -1.789 -0.342 1.00 0.00 C ATOM 263 O SER A 17 -4.650 -2.830 -0.976 1.00 0.00 O ATOM 264 CB SER A 17 -6.992 -1.309 0.387 1.00 0.00 C ATOM 265 OG SER A 17 -8.082 -0.410 0.246 1.00 0.00 O ATOM 0 H SER A 17 -6.300 -1.562 -2.370 1.00 0.00 H new ATOM 0 HA SER A 17 -5.504 0.169 -0.059 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.283 -2.306 0.057 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.706 -1.391 1.436 1.00 0.00 H new ATOM 0 HG SER A 17 -8.915 -0.864 0.493 1.00 0.00 H new ATOM 271 N VAL A 18 -3.673 -1.462 0.450 1.00 0.00 N ATOM 272 CA VAL A 18 -2.491 -2.361 0.610 1.00 0.00 C ATOM 273 C VAL A 18 -2.037 -2.397 2.062 1.00 0.00 C ATOM 274 O VAL A 18 -2.384 -1.557 2.867 1.00 0.00 O ATOM 275 CB VAL A 18 -1.345 -1.860 -0.270 1.00 0.00 C ATOM 276 CG1 VAL A 18 -1.760 -1.946 -1.738 1.00 0.00 C ATOM 277 CG2 VAL A 18 -1.009 -0.406 0.081 1.00 0.00 C ATOM 0 H VAL A 18 -3.636 -0.603 0.999 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.776 -3.369 0.308 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.465 -2.480 -0.098 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.945 -1.589 -2.368 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.988 -2.981 -1.991 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.643 -1.329 -1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.192 -0.059 -0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.886 0.220 -0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.710 -0.344 1.127 1.00 0.00 H new ATOM 287 N ILE A 19 -1.250 -3.382 2.393 1.00 0.00 N ATOM 288 CA ILE A 19 -0.736 -3.528 3.786 1.00 0.00 C ATOM 289 C ILE A 19 0.736 -3.921 3.757 1.00 0.00 C ATOM 290 O ILE A 19 1.154 -4.780 3.003 1.00 0.00 O ATOM 291 CB ILE A 19 -1.543 -4.605 4.517 1.00 0.00 C ATOM 292 CG1 ILE A 19 -1.084 -4.669 5.977 1.00 0.00 C ATOM 293 CG2 ILE A 19 -1.327 -5.966 3.849 1.00 0.00 C ATOM 294 CD1 ILE A 19 -2.052 -5.538 6.785 1.00 0.00 C ATOM 0 H ILE A 19 -0.935 -4.105 1.746 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.840 -2.578 4.309 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.603 -4.356 4.474 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.076 -5.081 6.034 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.042 -3.665 6.399 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.905 -6.726 4.376 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.653 -5.917 2.810 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.269 -6.225 3.885 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.722 -5.581 7.823 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.052 -5.107 6.740 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.071 -6.545 6.368 1.00 0.00 H new ATOM 306 N GLY A 20 1.523 -3.290 4.583 1.00 0.00 N ATOM 307 CA GLY A 20 2.978 -3.613 4.626 1.00 0.00 C ATOM 308 C GLY A 20 3.703 -2.670 5.579 1.00 0.00 C ATOM 309 O GLY A 20 3.100 -1.938 6.342 1.00 0.00 O ATOM 0 H GLY A 20 1.222 -2.563 5.232 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.119 -4.645 4.948 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.405 -3.530 3.627 1.00 0.00 H new ATOM 313 N LYS A 21 5.009 -2.694 5.531 1.00 0.00 N ATOM 314 CA LYS A 21 5.834 -1.820 6.419 1.00 0.00 C ATOM 315 C LYS A 21 6.526 -0.753 5.581 1.00 0.00 C ATOM 316 O LYS A 21 7.046 -1.018 4.520 1.00 0.00 O ATOM 317 CB LYS A 21 6.875 -2.678 7.148 1.00 0.00 C ATOM 318 CG LYS A 21 7.855 -3.291 6.138 1.00 0.00 C ATOM 319 CD LYS A 21 8.812 -4.244 6.861 1.00 0.00 C ATOM 320 CE LYS A 21 9.800 -4.829 5.848 1.00 0.00 C ATOM 321 NZ LYS A 21 10.746 -5.747 6.543 1.00 0.00 N ATOM 0 H LYS A 21 5.548 -3.292 4.904 1.00 0.00 H new ATOM 0 HA LYS A 21 5.195 -1.332 7.155 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.419 -2.069 7.870 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.377 -3.469 7.709 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.306 -3.829 5.365 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.419 -2.503 5.639 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.350 -3.712 7.646 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.251 -5.044 7.344 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.261 -5.368 5.069 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.351 -4.027 5.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.416 -6.143 5.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.270 -5.220 7.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.214 -6.520 6.991 1.00 0.00 H new ATOM 335 N ILE A 22 6.518 0.459 6.059 1.00 0.00 N ATOM 336 CA ILE A 22 7.156 1.587 5.320 1.00 0.00 C ATOM 337 C ILE A 22 8.562 1.818 5.851 1.00 0.00 C ATOM 338 O ILE A 22 8.788 1.870 7.045 1.00 0.00 O ATOM 339 CB ILE A 22 6.315 2.857 5.500 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.978 2.686 4.769 1.00 0.00 C ATOM 341 CG2 ILE A 22 7.063 4.056 4.921 1.00 0.00 C ATOM 342 CD1 ILE A 22 4.111 1.639 5.480 1.00 0.00 C ATOM 0 H ILE A 22 6.089 0.722 6.946 1.00 0.00 H new ATOM 0 HA ILE A 22 7.213 1.340 4.260 1.00 0.00 H new ATOM 0 HB ILE A 22 6.134 3.025 6.562 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.451 3.640 4.733 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.156 2.381 3.738 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.463 4.957 5.051 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.014 4.176 5.439 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.247 3.892 3.859 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.165 1.529 4.949 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.633 0.682 5.493 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.918 1.961 6.503 1.00 0.00 H new ATOM 354 N THR A 23 9.504 1.958 4.956 1.00 0.00 N ATOM 355 CA THR A 23 10.921 2.191 5.359 1.00 0.00 C ATOM 356 C THR A 23 11.535 3.287 4.492 1.00 0.00 C ATOM 357 O THR A 23 11.065 3.587 3.414 1.00 0.00 O ATOM 358 CB THR A 23 11.724 0.897 5.192 1.00 0.00 C ATOM 359 OG1 THR A 23 13.102 1.172 5.407 1.00 0.00 O ATOM 360 CG2 THR A 23 11.529 0.325 3.784 1.00 0.00 C ATOM 0 H THR A 23 9.349 1.920 3.949 1.00 0.00 H new ATOM 0 HA THR A 23 10.947 2.503 6.403 1.00 0.00 H new ATOM 0 HB THR A 23 11.373 0.164 5.918 1.00 0.00 H new ATOM 0 HG1 THR A 23 13.620 0.347 5.303 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.106 -0.594 3.682 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.473 0.110 3.622 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.869 1.051 3.046 1.00 0.00 H new ATOM 368 N GLY A 24 12.595 3.877 4.972 1.00 0.00 N ATOM 369 CA GLY A 24 13.291 4.965 4.212 1.00 0.00 C ATOM 370 C GLY A 24 12.868 6.332 4.758 1.00 0.00 C ATOM 371 O GLY A 24 13.644 7.037 5.370 1.00 0.00 O ATOM 0 H GLY A 24 13.018 3.651 5.872 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.371 4.847 4.298 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.046 4.895 3.152 1.00 0.00 H new ATOM 375 N ILE A 25 11.638 6.696 4.528 1.00 0.00 N ATOM 376 CA ILE A 25 11.112 8.010 5.003 1.00 0.00 C ATOM 377 C ILE A 25 11.927 9.158 4.416 1.00 0.00 C ATOM 378 O ILE A 25 13.137 9.192 4.499 1.00 0.00 O ATOM 379 CB ILE A 25 11.156 8.070 6.533 1.00 0.00 C ATOM 380 CG1 ILE A 25 10.521 6.801 7.119 1.00 0.00 C ATOM 381 CG2 ILE A 25 10.386 9.301 7.016 1.00 0.00 C ATOM 382 CD1 ILE A 25 9.125 6.583 6.523 1.00 0.00 C ATOM 0 H ILE A 25 10.960 6.128 4.021 1.00 0.00 H new ATOM 0 HA ILE A 25 10.079 8.110 4.669 1.00 0.00 H new ATOM 0 HB ILE A 25 12.193 8.137 6.863 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.153 5.939 6.908 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.452 6.888 8.203 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.416 9.345 8.105 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.843 10.201 6.603 1.00 0.00 H new ATOM 0 HG23 ILE A 25 9.350 9.235 6.684 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.685 5.680 6.947 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.492 7.439 6.757 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.204 6.475 5.441 1.00 0.00 H new ATOM 394 N HIS A 26 11.253 10.106 3.824 1.00 0.00 N ATOM 395 CA HIS A 26 11.948 11.280 3.226 1.00 0.00 C ATOM 396 C HIS A 26 11.034 12.497 3.295 1.00 0.00 C ATOM 397 O HIS A 26 9.845 12.409 3.070 1.00 0.00 O ATOM 398 CB HIS A 26 12.317 10.990 1.771 1.00 0.00 C ATOM 399 CG HIS A 26 13.333 12.003 1.314 1.00 0.00 C ATOM 400 ND1 HIS A 26 13.782 13.018 2.146 1.00 0.00 N ATOM 401 CD2 HIS A 26 13.995 12.170 0.126 1.00 0.00 C ATOM 402 CE1 HIS A 26 14.674 13.745 1.452 1.00 0.00 C ATOM 403 NE2 HIS A 26 14.842 13.272 0.214 1.00 0.00 N ATOM 0 H HIS A 26 10.238 10.116 3.728 1.00 0.00 H new ATOM 0 HA HIS A 26 12.862 11.478 3.785 1.00 0.00 H new ATOM 0 HB2 HIS A 26 12.722 9.982 1.679 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.429 11.036 1.141 1.00 0.00 H new ATOM 0 HD2 HIS A 26 13.878 11.543 -0.745 1.00 0.00 H new ATOM 0 HE1 HIS A 26 15.192 14.607 1.847 1.00 0.00 H new ATOM 0 HE2 HIS A 26 15.458 13.639 -0.511 1.00 0.00 H new ATOM 411 N LYS A 27 11.589 13.631 3.626 1.00 0.00 N ATOM 412 CA LYS A 27 10.777 14.881 3.744 1.00 0.00 C ATOM 413 C LYS A 27 11.046 15.796 2.557 1.00 0.00 C ATOM 414 O LYS A 27 12.172 16.098 2.220 1.00 0.00 O ATOM 415 CB LYS A 27 11.149 15.598 5.047 1.00 0.00 C ATOM 416 CG LYS A 27 10.253 16.826 5.232 1.00 0.00 C ATOM 417 CD LYS A 27 10.592 17.510 6.561 1.00 0.00 C ATOM 418 CE LYS A 27 9.685 18.729 6.762 1.00 0.00 C ATOM 419 NZ LYS A 27 9.981 19.360 8.081 1.00 0.00 N ATOM 0 H LYS A 27 12.583 13.748 3.823 1.00 0.00 H new ATOM 0 HA LYS A 27 9.718 14.625 3.753 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.033 14.920 5.893 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.196 15.900 5.022 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.396 17.522 4.406 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.204 16.529 5.220 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.462 16.809 7.385 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.638 17.818 6.566 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.843 19.449 5.959 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.638 18.428 6.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.365 20.187 8.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.809 18.672 8.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.976 19.662 8.106 1.00 0.00 H new ATOM 433 N LYS A 28 9.995 16.238 1.927 1.00 0.00 N ATOM 434 CA LYS A 28 10.122 17.146 0.750 1.00 0.00 C ATOM 435 C LYS A 28 9.031 18.206 0.788 1.00 0.00 C ATOM 436 O LYS A 28 8.005 18.044 1.416 1.00 0.00 O ATOM 437 CB LYS A 28 10.013 16.337 -0.538 1.00 0.00 C ATOM 438 CG LYS A 28 11.297 15.534 -0.730 1.00 0.00 C ATOM 439 CD LYS A 28 11.204 14.699 -2.012 1.00 0.00 C ATOM 440 CE LYS A 28 12.610 14.292 -2.462 1.00 0.00 C ATOM 441 NZ LYS A 28 13.319 15.478 -3.025 1.00 0.00 N ATOM 0 H LYS A 28 9.035 16.005 2.181 1.00 0.00 H new ATOM 0 HA LYS A 28 11.094 17.638 0.784 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.154 15.668 -0.491 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.854 17.001 -1.388 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.152 16.207 -0.786 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.460 14.882 0.128 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.596 13.811 -1.837 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.712 15.273 -2.797 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.170 13.888 -1.619 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.549 13.503 -3.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.064 15.160 -3.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.641 16.076 -3.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.747 16.026 -2.252 1.00 0.00 H new ATOM 455 N GLU A 29 9.266 19.304 0.123 1.00 0.00 N ATOM 456 CA GLU A 29 8.279 20.425 0.100 1.00 0.00 C ATOM 457 C GLU A 29 7.723 20.608 -1.304 1.00 0.00 C ATOM 458 O GLU A 29 8.418 20.470 -2.291 1.00 0.00 O ATOM 459 CB GLU A 29 8.972 21.713 0.553 1.00 0.00 C ATOM 460 CG GLU A 29 9.378 21.593 2.032 1.00 0.00 C ATOM 461 CD GLU A 29 10.700 20.826 2.155 1.00 0.00 C ATOM 462 OE1 GLU A 29 11.180 20.329 1.148 1.00 0.00 O ATOM 463 OE2 GLU A 29 11.208 20.745 3.260 1.00 0.00 O ATOM 0 H GLU A 29 10.115 19.476 -0.415 1.00 0.00 H new ATOM 0 HA GLU A 29 7.455 20.192 0.774 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.853 21.899 -0.062 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.304 22.563 0.418 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.482 22.586 2.470 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.597 21.078 2.591 1.00 0.00 H new ATOM 470 N TYR A 30 6.460 20.926 -1.388 1.00 0.00 N ATOM 471 CA TYR A 30 5.806 21.134 -2.712 1.00 0.00 C ATOM 472 C TYR A 30 4.786 22.264 -2.604 1.00 0.00 C ATOM 473 O TYR A 30 4.373 22.648 -1.528 1.00 0.00 O ATOM 474 CB TYR A 30 5.109 19.846 -3.156 1.00 0.00 C ATOM 475 CG TYR A 30 3.927 19.550 -2.261 1.00 0.00 C ATOM 476 CD1 TYR A 30 4.125 18.979 -0.999 1.00 0.00 C ATOM 477 CD2 TYR A 30 2.628 19.844 -2.700 1.00 0.00 C ATOM 478 CE1 TYR A 30 3.026 18.702 -0.175 1.00 0.00 C ATOM 479 CE2 TYR A 30 1.530 19.565 -1.877 1.00 0.00 C ATOM 480 CZ TYR A 30 1.729 18.994 -0.615 1.00 0.00 C ATOM 481 OH TYR A 30 0.648 18.720 0.196 1.00 0.00 O ATOM 0 H TYR A 30 5.845 21.052 -0.584 1.00 0.00 H new ATOM 0 HA TYR A 30 6.563 21.400 -3.450 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.775 19.943 -4.189 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.813 19.015 -3.125 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.125 18.752 -0.660 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.474 20.286 -3.673 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.179 18.263 0.800 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.530 19.790 -2.216 1.00 0.00 H new ATOM 0 HH TYR A 30 0.364 17.792 0.060 1.00 0.00 H new ATOM 491 N GLU A 31 4.398 22.809 -3.724 1.00 0.00 N ATOM 492 CA GLU A 31 3.423 23.940 -3.729 1.00 0.00 C ATOM 493 C GLU A 31 2.002 23.416 -3.914 1.00 0.00 C ATOM 494 O GLU A 31 1.608 23.003 -4.985 1.00 0.00 O ATOM 495 CB GLU A 31 3.775 24.901 -4.869 1.00 0.00 C ATOM 496 CG GLU A 31 2.848 26.117 -4.805 1.00 0.00 C ATOM 497 CD GLU A 31 3.231 27.125 -5.893 1.00 0.00 C ATOM 498 OE1 GLU A 31 4.004 26.763 -6.766 1.00 0.00 O ATOM 499 OE2 GLU A 31 2.742 28.240 -5.834 1.00 0.00 O ATOM 0 H GLU A 31 4.718 22.516 -4.647 1.00 0.00 H new ATOM 0 HA GLU A 31 3.477 24.464 -2.775 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.815 25.217 -4.787 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.670 24.398 -5.830 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.813 25.803 -4.937 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.916 26.586 -3.823 1.00 0.00 H new ATOM 506 N SER A 32 1.237 23.448 -2.861 1.00 0.00 N ATOM 507 CA SER A 32 -0.175 22.976 -2.918 1.00 0.00 C ATOM 508 C SER A 32 -1.080 24.133 -3.334 1.00 0.00 C ATOM 509 O SER A 32 -0.630 25.112 -3.889 1.00 0.00 O ATOM 510 CB SER A 32 -0.603 22.470 -1.535 1.00 0.00 C ATOM 511 OG SER A 32 -1.134 23.549 -0.777 1.00 0.00 O ATOM 0 H SER A 32 1.535 23.787 -1.946 1.00 0.00 H new ATOM 0 HA SER A 32 -0.257 22.167 -3.643 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.350 21.683 -1.639 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.250 22.033 -1.016 1.00 0.00 H new ATOM 0 HG SER A 32 -0.408 24.003 -0.301 1.00 0.00 H new ATOM 517 N ASP A 33 -2.355 24.004 -3.078 1.00 0.00 N ATOM 518 CA ASP A 33 -3.334 25.066 -3.457 1.00 0.00 C ATOM 519 C ASP A 33 -2.876 26.423 -2.923 1.00 0.00 C ATOM 520 O ASP A 33 -3.350 26.902 -1.914 1.00 0.00 O ATOM 521 CB ASP A 33 -4.708 24.710 -2.873 1.00 0.00 C ATOM 522 CG ASP A 33 -5.795 25.550 -3.551 1.00 0.00 C ATOM 523 OD1 ASP A 33 -5.446 26.435 -4.312 1.00 0.00 O ATOM 524 OD2 ASP A 33 -6.960 25.288 -3.298 1.00 0.00 O ATOM 0 H ASP A 33 -2.766 23.194 -2.614 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.400 25.127 -4.543 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.911 23.649 -3.019 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.714 24.890 -1.798 1.00 0.00 H new ATOM 529 N GLY A 34 -1.957 27.038 -3.616 1.00 0.00 N ATOM 530 CA GLY A 34 -1.440 28.372 -3.203 1.00 0.00 C ATOM 531 C GLY A 34 -0.825 28.259 -1.814 1.00 0.00 C ATOM 532 O GLY A 34 -0.525 29.251 -1.183 1.00 0.00 O ATOM 0 H GLY A 34 -1.536 26.664 -4.466 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.695 28.724 -3.917 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.248 29.104 -3.198 1.00 0.00 H new ATOM 536 N THR A 35 -0.647 27.059 -1.335 1.00 0.00 N ATOM 537 CA THR A 35 -0.062 26.860 0.029 1.00 0.00 C ATOM 538 C THR A 35 1.055 25.821 -0.007 1.00 0.00 C ATOM 539 O THR A 35 0.909 24.742 -0.542 1.00 0.00 O ATOM 540 CB THR A 35 -1.164 26.393 0.980 1.00 0.00 C ATOM 541 OG1 THR A 35 -2.189 27.375 1.028 1.00 0.00 O ATOM 542 CG2 THR A 35 -0.575 26.198 2.377 1.00 0.00 C ATOM 0 H THR A 35 -0.882 26.199 -1.831 1.00 0.00 H new ATOM 0 HA THR A 35 0.358 27.805 0.375 1.00 0.00 H new ATOM 0 HB THR A 35 -1.581 25.450 0.627 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.676 27.382 0.177 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.358 25.865 3.059 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.215 25.448 2.337 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.162 27.142 2.733 1.00 0.00 H new ATOM 550 N THR A 36 2.171 26.152 0.577 1.00 0.00 N ATOM 551 CA THR A 36 3.322 25.208 0.616 1.00 0.00 C ATOM 552 C THR A 36 3.089 24.180 1.714 1.00 0.00 C ATOM 553 O THR A 36 2.802 24.513 2.845 1.00 0.00 O ATOM 554 CB THR A 36 4.613 25.984 0.897 1.00 0.00 C ATOM 555 OG1 THR A 36 4.732 27.049 -0.036 1.00 0.00 O ATOM 556 CG2 THR A 36 5.814 25.046 0.756 1.00 0.00 C ATOM 0 H THR A 36 2.337 27.048 1.035 1.00 0.00 H new ATOM 0 HA THR A 36 3.413 24.700 -0.344 1.00 0.00 H new ATOM 0 HB THR A 36 4.585 26.386 1.910 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.556 27.549 0.142 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.732 25.598 0.956 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.721 24.226 1.468 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.845 24.645 -0.257 1.00 0.00 H new ATOM 564 N LYS A 37 3.204 22.927 1.374 1.00 0.00 N ATOM 565 CA LYS A 37 2.987 21.838 2.375 1.00 0.00 C ATOM 566 C LYS A 37 4.069 20.774 2.236 1.00 0.00 C ATOM 567 O LYS A 37 4.580 20.514 1.164 1.00 0.00 O ATOM 568 CB LYS A 37 1.614 21.209 2.147 1.00 0.00 C ATOM 569 CG LYS A 37 0.528 22.225 2.499 1.00 0.00 C ATOM 570 CD LYS A 37 -0.851 21.598 2.287 1.00 0.00 C ATOM 571 CE LYS A 37 -1.934 22.621 2.634 1.00 0.00 C ATOM 572 NZ LYS A 37 -3.277 21.996 2.471 1.00 0.00 N ATOM 0 H LYS A 37 3.442 22.605 0.436 1.00 0.00 H new ATOM 0 HA LYS A 37 3.035 22.259 3.379 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.513 20.896 1.108 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.504 20.315 2.761 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.638 22.545 3.535 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.633 23.115 1.878 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.960 21.274 1.252 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.959 20.711 2.912 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.805 22.970 3.659 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.846 23.494 1.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.014 22.691 2.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.397 21.684 1.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.358 21.176 3.106 1.00 0.00 H new ATOM 586 N SER A 38 4.420 20.165 3.333 1.00 0.00 N ATOM 587 CA SER A 38 5.472 19.113 3.318 1.00 0.00 C ATOM 588 C SER A 38 4.872 17.782 2.886 1.00 0.00 C ATOM 589 O SER A 38 3.714 17.490 3.128 1.00 0.00 O ATOM 590 CB SER A 38 6.072 18.973 4.719 1.00 0.00 C ATOM 591 OG SER A 38 5.094 18.442 5.605 1.00 0.00 O ATOM 0 H SER A 38 4.017 20.354 4.251 1.00 0.00 H new ATOM 0 HA SER A 38 6.252 19.398 2.612 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.944 18.319 4.689 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.414 19.944 5.078 1.00 0.00 H new ATOM 0 HG SER A 38 5.480 18.351 6.501 1.00 0.00 H new ATOM 597 N VAL A 39 5.671 16.965 2.256 1.00 0.00 N ATOM 598 CA VAL A 39 5.194 15.628 1.794 1.00 0.00 C ATOM 599 C VAL A 39 6.177 14.549 2.231 1.00 0.00 C ATOM 600 O VAL A 39 7.377 14.679 2.088 1.00 0.00 O ATOM 601 CB VAL A 39 5.042 15.638 0.268 1.00 0.00 C ATOM 602 CG1 VAL A 39 6.416 15.646 -0.418 1.00 0.00 C ATOM 603 CG2 VAL A 39 4.269 14.390 -0.158 1.00 0.00 C ATOM 0 H VAL A 39 6.647 17.169 2.039 1.00 0.00 H new ATOM 0 HA VAL A 39 4.224 15.411 2.241 1.00 0.00 H new ATOM 0 HB VAL A 39 4.504 16.539 -0.029 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.283 15.653 -1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.969 16.535 -0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.973 14.756 -0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.154 14.385 -1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.816 13.500 0.153 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.285 14.394 0.311 1.00 0.00 H new ATOM 613 N TYR A 40 5.659 13.479 2.765 1.00 0.00 N ATOM 614 CA TYR A 40 6.522 12.353 3.227 1.00 0.00 C ATOM 615 C TYR A 40 6.553 11.276 2.156 1.00 0.00 C ATOM 616 O TYR A 40 5.538 10.891 1.615 1.00 0.00 O ATOM 617 CB TYR A 40 5.957 11.768 4.528 1.00 0.00 C ATOM 618 CG TYR A 40 6.074 12.786 5.638 1.00 0.00 C ATOM 619 CD1 TYR A 40 5.095 13.775 5.787 1.00 0.00 C ATOM 620 CD2 TYR A 40 7.163 12.739 6.519 1.00 0.00 C ATOM 621 CE1 TYR A 40 5.204 14.718 6.818 1.00 0.00 C ATOM 622 CE2 TYR A 40 7.271 13.682 7.549 1.00 0.00 C ATOM 623 CZ TYR A 40 6.292 14.673 7.697 1.00 0.00 C ATOM 624 OH TYR A 40 6.399 15.602 8.711 1.00 0.00 O ATOM 0 H TYR A 40 4.659 13.334 2.904 1.00 0.00 H new ATOM 0 HA TYR A 40 7.532 12.719 3.409 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.913 11.487 4.388 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.499 10.861 4.795 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.256 13.811 5.108 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.919 11.976 6.404 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.448 15.480 6.934 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.109 13.645 8.229 1.00 0.00 H new ATOM 0 HH TYR A 40 7.212 15.428 9.230 1.00 0.00 H new ATOM 634 N GLN A 41 7.722 10.792 1.849 1.00 0.00 N ATOM 635 CA GLN A 41 7.866 9.734 0.806 1.00 0.00 C ATOM 636 C GLN A 41 8.720 8.595 1.341 1.00 0.00 C ATOM 637 O GLN A 41 9.580 8.780 2.178 1.00 0.00 O ATOM 638 CB GLN A 41 8.529 10.332 -0.437 1.00 0.00 C ATOM 639 CG GLN A 41 7.578 11.347 -1.079 1.00 0.00 C ATOM 640 CD GLN A 41 8.230 11.957 -2.324 1.00 0.00 C ATOM 641 OE1 GLN A 41 8.757 11.247 -3.157 1.00 0.00 O ATOM 642 NE2 GLN A 41 8.212 13.253 -2.488 1.00 0.00 N ATOM 0 H GLN A 41 8.598 11.087 2.281 1.00 0.00 H new ATOM 0 HA GLN A 41 6.880 9.349 0.544 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.467 10.816 -0.166 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.772 9.543 -1.149 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.641 10.860 -1.350 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.334 12.132 -0.364 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.770 13.849 -1.789 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.640 13.668 -3.315 1.00 0.00 H new ATOM 651 N GLY A 42 8.476 7.412 0.856 1.00 0.00 N ATOM 652 CA GLY A 42 9.255 6.234 1.322 1.00 0.00 C ATOM 653 C GLY A 42 8.912 5.007 0.485 1.00 0.00 C ATOM 654 O GLY A 42 8.257 5.088 -0.536 1.00 0.00 O ATOM 0 H GLY A 42 7.766 7.209 0.152 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.322 6.444 1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.038 6.038 2.372 1.00 0.00 H new ATOM 658 N TYR A 43 9.365 3.867 0.927 1.00 0.00 N ATOM 659 CA TYR A 43 9.105 2.589 0.199 1.00 0.00 C ATOM 660 C TYR A 43 8.390 1.609 1.121 1.00 0.00 C ATOM 661 O TYR A 43 8.698 1.494 2.289 1.00 0.00 O ATOM 662 CB TYR A 43 10.438 1.991 -0.259 1.00 0.00 C ATOM 663 CG TYR A 43 11.045 2.871 -1.327 1.00 0.00 C ATOM 664 CD1 TYR A 43 11.842 3.965 -0.972 1.00 0.00 C ATOM 665 CD2 TYR A 43 10.811 2.583 -2.678 1.00 0.00 C ATOM 666 CE1 TYR A 43 12.404 4.775 -1.968 1.00 0.00 C ATOM 667 CE2 TYR A 43 11.374 3.393 -3.674 1.00 0.00 C ATOM 668 CZ TYR A 43 12.171 4.487 -3.318 1.00 0.00 C ATOM 669 OH TYR A 43 12.728 5.283 -4.299 1.00 0.00 O ATOM 0 H TYR A 43 9.916 3.763 1.779 1.00 0.00 H new ATOM 0 HA TYR A 43 8.475 2.784 -0.669 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.120 1.905 0.587 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.283 0.984 -0.647 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.024 4.185 0.070 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.197 1.738 -2.952 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.017 5.621 -1.694 1.00 0.00 H new ATOM 0 HE2 TYR A 43 11.193 3.173 -4.716 1.00 0.00 H new ATOM 0 HH TYR A 43 12.469 4.945 -5.181 1.00 0.00 H new ATOM 679 N ILE A 44 7.433 0.899 0.586 1.00 0.00 N ATOM 680 CA ILE A 44 6.662 -0.098 1.394 1.00 0.00 C ATOM 681 C ILE A 44 6.971 -1.494 0.891 1.00 0.00 C ATOM 682 O ILE A 44 7.043 -1.728 -0.292 1.00 0.00 O ATOM 683 CB ILE A 44 5.162 0.178 1.260 1.00 0.00 C ATOM 684 CG1 ILE A 44 4.397 -0.775 2.184 1.00 0.00 C ATOM 685 CG2 ILE A 44 4.715 -0.038 -0.189 1.00 0.00 C ATOM 686 CD1 ILE A 44 2.941 -0.318 2.308 1.00 0.00 C ATOM 0 H ILE A 44 7.147 0.967 -0.391 1.00 0.00 H new ATOM 0 HA ILE A 44 6.947 -0.016 2.443 1.00 0.00 H new ATOM 0 HB ILE A 44 4.956 1.211 1.540 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.437 -1.790 1.789 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.866 -0.797 3.168 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.647 0.161 -0.274 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.263 0.639 -0.844 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.917 -1.068 -0.482 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.401 -0.999 2.966 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.910 0.689 2.723 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.474 -0.319 1.323 1.00 0.00 H new ATOM 698 N GLU A 45 7.182 -2.415 1.795 1.00 0.00 N ATOM 699 CA GLU A 45 7.523 -3.819 1.402 1.00 0.00 C ATOM 700 C GLU A 45 6.496 -4.794 1.971 1.00 0.00 C ATOM 701 O GLU A 45 5.907 -4.574 3.017 1.00 0.00 O ATOM 702 CB GLU A 45 8.914 -4.171 1.943 1.00 0.00 C ATOM 703 CG GLU A 45 9.870 -2.994 1.722 1.00 0.00 C ATOM 704 CD GLU A 45 11.265 -3.358 2.235 1.00 0.00 C ATOM 705 OE1 GLU A 45 11.423 -4.457 2.739 1.00 0.00 O ATOM 706 OE2 GLU A 45 12.151 -2.528 2.115 1.00 0.00 O ATOM 0 H GLU A 45 7.132 -2.254 2.801 1.00 0.00 H new ATOM 0 HA GLU A 45 7.516 -3.895 0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.852 -4.407 3.005 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.295 -5.060 1.441 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.916 -2.744 0.662 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.500 -2.110 2.242 1.00 0.00 H new ATOM 713 N ASP A 46 6.286 -5.876 1.269 1.00 0.00 N ATOM 714 CA ASP A 46 5.305 -6.909 1.712 1.00 0.00 C ATOM 715 C ASP A 46 5.772 -8.292 1.243 1.00 0.00 C ATOM 716 O ASP A 46 6.913 -8.488 0.875 1.00 0.00 O ATOM 717 CB ASP A 46 3.935 -6.592 1.105 1.00 0.00 C ATOM 718 CG ASP A 46 2.839 -7.383 1.830 1.00 0.00 C ATOM 719 OD1 ASP A 46 3.074 -7.796 2.953 1.00 0.00 O ATOM 720 OD2 ASP A 46 1.781 -7.557 1.246 1.00 0.00 O ATOM 0 H ASP A 46 6.761 -6.091 0.392 1.00 0.00 H new ATOM 0 HA ASP A 46 5.231 -6.906 2.800 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.734 -5.524 1.181 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.933 -6.842 0.044 1.00 0.00 H new ATOM 725 N ASP A 47 4.890 -9.251 1.274 1.00 0.00 N ATOM 726 CA ASP A 47 5.241 -10.638 0.855 1.00 0.00 C ATOM 727 C ASP A 47 5.581 -10.659 -0.635 1.00 0.00 C ATOM 728 O ASP A 47 6.473 -11.359 -1.068 1.00 0.00 O ATOM 729 CB ASP A 47 4.040 -11.555 1.114 1.00 0.00 C ATOM 730 CG ASP A 47 4.373 -12.974 0.654 1.00 0.00 C ATOM 731 OD1 ASP A 47 5.533 -13.228 0.378 1.00 0.00 O ATOM 732 OD2 ASP A 47 3.462 -13.785 0.586 1.00 0.00 O ATOM 0 H ASP A 47 3.924 -9.131 1.577 1.00 0.00 H new ATOM 0 HA ASP A 47 6.104 -10.983 1.424 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.791 -11.554 2.175 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.164 -11.185 0.581 1.00 0.00 H new ATOM 737 N THR A 48 4.860 -9.901 -1.412 1.00 0.00 N ATOM 738 CA THR A 48 5.105 -9.862 -2.882 1.00 0.00 C ATOM 739 C THR A 48 6.390 -9.093 -3.169 1.00 0.00 C ATOM 740 O THR A 48 7.449 -9.667 -3.309 1.00 0.00 O ATOM 741 CB THR A 48 3.932 -9.145 -3.574 1.00 0.00 C ATOM 742 OG1 THR A 48 3.566 -7.992 -2.827 1.00 0.00 O ATOM 743 CG2 THR A 48 2.738 -10.091 -3.672 1.00 0.00 C ATOM 0 H THR A 48 4.102 -9.300 -1.088 1.00 0.00 H new ATOM 0 HA THR A 48 5.195 -10.881 -3.258 1.00 0.00 H new ATOM 0 HB THR A 48 4.237 -8.843 -4.576 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.820 -7.537 -3.271 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.909 -9.581 -4.162 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.017 -10.970 -4.252 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.434 -10.398 -2.671 1.00 0.00 H new ATOM 751 N ALA A 49 6.294 -7.796 -3.267 1.00 0.00 N ATOM 752 CA ALA A 49 7.498 -6.964 -3.560 1.00 0.00 C ATOM 753 C ALA A 49 7.421 -5.648 -2.793 1.00 0.00 C ATOM 754 O ALA A 49 6.979 -5.594 -1.663 1.00 0.00 O ATOM 755 CB ALA A 49 7.552 -6.667 -5.063 1.00 0.00 C ATOM 0 H ALA A 49 5.426 -7.271 -3.156 1.00 0.00 H new ATOM 0 HA ALA A 49 8.392 -7.507 -3.254 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.430 -6.059 -5.282 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.611 -7.604 -5.617 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.653 -6.126 -5.360 1.00 0.00 H new ATOM 761 N ARG A 50 7.858 -4.582 -3.408 1.00 0.00 N ATOM 762 CA ARG A 50 7.831 -3.249 -2.740 1.00 0.00 C ATOM 763 C ARG A 50 7.637 -2.151 -3.775 1.00 0.00 C ATOM 764 O ARG A 50 7.906 -2.322 -4.945 1.00 0.00 O ATOM 765 CB ARG A 50 9.145 -3.021 -1.982 1.00 0.00 C ATOM 766 CG ARG A 50 10.335 -2.980 -2.954 1.00 0.00 C ATOM 767 CD ARG A 50 11.629 -2.776 -2.155 1.00 0.00 C ATOM 768 NE ARG A 50 12.797 -2.760 -3.089 1.00 0.00 N ATOM 769 CZ ARG A 50 13.182 -1.644 -3.657 1.00 0.00 C ATOM 770 NH1 ARG A 50 12.539 -0.528 -3.429 1.00 0.00 N ATOM 771 NH2 ARG A 50 14.213 -1.647 -4.454 1.00 0.00 N ATOM 0 H ARG A 50 8.237 -4.578 -4.355 1.00 0.00 H new ATOM 0 HA ARG A 50 7.000 -3.223 -2.035 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.092 -2.085 -1.426 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.292 -3.818 -1.253 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.387 -3.908 -3.524 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.206 -2.171 -3.673 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.582 -1.839 -1.599 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.746 -3.575 -1.423 1.00 0.00 H new ATOM 0 HE ARG A 50 13.299 -3.626 -3.286 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.732 -0.523 -2.805 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.845 0.337 -3.875 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.716 -2.516 -4.633 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.516 -0.781 -4.899 1.00 0.00 H new ATOM 785 N ILE A 51 7.165 -1.017 -3.338 1.00 0.00 N ATOM 786 CA ILE A 51 6.939 0.117 -4.274 1.00 0.00 C ATOM 787 C ILE A 51 7.049 1.450 -3.540 1.00 0.00 C ATOM 788 O ILE A 51 6.918 1.535 -2.334 1.00 0.00 O ATOM 789 CB ILE A 51 5.551 -0.013 -4.907 1.00 0.00 C ATOM 790 CG1 ILE A 51 5.380 1.073 -5.972 1.00 0.00 C ATOM 791 CG2 ILE A 51 4.466 0.144 -3.834 1.00 0.00 C ATOM 792 CD1 ILE A 51 4.156 0.757 -6.833 1.00 0.00 C ATOM 0 H ILE A 51 6.925 -0.827 -2.365 1.00 0.00 H new ATOM 0 HA ILE A 51 7.701 0.087 -5.052 1.00 0.00 H new ATOM 0 HB ILE A 51 5.455 -0.997 -5.365 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.262 2.047 -5.497 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.272 1.129 -6.596 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.483 0.050 -4.295 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.588 -0.631 -3.077 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.556 1.125 -3.367 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.035 1.531 -7.591 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.293 -0.209 -7.319 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.267 0.724 -6.203 1.00 0.00 H new ATOM 804 N ARG A 52 7.295 2.488 -4.285 1.00 0.00 N ATOM 805 CA ARG A 52 7.431 3.847 -3.700 1.00 0.00 C ATOM 806 C ARG A 52 6.062 4.387 -3.306 1.00 0.00 C ATOM 807 O ARG A 52 5.070 4.155 -3.967 1.00 0.00 O ATOM 808 CB ARG A 52 8.076 4.776 -4.730 1.00 0.00 C ATOM 809 CG ARG A 52 8.511 6.066 -4.034 1.00 0.00 C ATOM 810 CD ARG A 52 9.210 6.994 -5.032 1.00 0.00 C ATOM 811 NE ARG A 52 8.231 7.427 -6.074 1.00 0.00 N ATOM 812 CZ ARG A 52 8.621 7.703 -7.294 1.00 0.00 C ATOM 813 NH1 ARG A 52 9.883 7.605 -7.632 1.00 0.00 N ATOM 814 NH2 ARG A 52 7.744 8.082 -8.177 1.00 0.00 N ATOM 0 H ARG A 52 7.410 2.450 -5.298 1.00 0.00 H new ATOM 0 HA ARG A 52 8.057 3.795 -2.809 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.935 4.289 -5.191 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.370 4.999 -5.530 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.643 6.568 -3.606 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.184 5.834 -3.209 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.616 7.863 -4.515 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.050 6.479 -5.498 1.00 0.00 H new ATOM 0 HE ARG A 52 7.244 7.509 -5.832 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.574 7.311 -6.942 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.174 7.823 -8.585 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.761 8.162 -7.917 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.040 8.299 -9.129 1.00 0.00 H new ATOM 828 N ILE A 53 6.011 5.105 -2.220 1.00 0.00 N ATOM 829 CA ILE A 53 4.722 5.680 -1.737 1.00 0.00 C ATOM 830 C ILE A 53 4.904 7.146 -1.361 1.00 0.00 C ATOM 831 O ILE A 53 6.000 7.613 -1.121 1.00 0.00 O ATOM 832 CB ILE A 53 4.249 4.888 -0.513 1.00 0.00 C ATOM 833 CG1 ILE A 53 5.318 4.932 0.592 1.00 0.00 C ATOM 834 CG2 ILE A 53 3.999 3.434 -0.920 1.00 0.00 C ATOM 835 CD1 ILE A 53 4.726 4.412 1.902 1.00 0.00 C ATOM 0 H ILE A 53 6.819 5.322 -1.637 1.00 0.00 H new ATOM 0 HA ILE A 53 3.979 5.614 -2.532 1.00 0.00 H new ATOM 0 HB ILE A 53 3.328 5.331 -0.134 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.177 4.326 0.304 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.677 5.953 0.724 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.662 2.866 -0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.234 3.400 -1.696 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.923 2.999 -1.302 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.486 4.444 2.683 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.881 5.036 2.192 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.389 3.384 1.766 1.00 0.00 H new ATOM 847 N SER A 54 3.822 7.869 -1.284 1.00 0.00 N ATOM 848 CA SER A 54 3.894 9.311 -0.902 1.00 0.00 C ATOM 849 C SER A 54 2.677 9.696 -0.070 1.00 0.00 C ATOM 850 O SER A 54 1.565 9.301 -0.346 1.00 0.00 O ATOM 851 CB SER A 54 3.944 10.169 -2.162 1.00 0.00 C ATOM 852 OG SER A 54 5.057 9.773 -2.952 1.00 0.00 O ATOM 0 H SER A 54 2.881 7.521 -1.471 1.00 0.00 H new ATOM 0 HA SER A 54 4.794 9.477 -0.310 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.021 10.056 -2.730 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.028 11.223 -1.896 1.00 0.00 H new ATOM 0 HG SER A 54 5.093 10.320 -3.764 1.00 0.00 H new ATOM 858 N SER A 55 2.895 10.479 0.952 1.00 0.00 N ATOM 859 CA SER A 55 1.775 10.928 1.834 1.00 0.00 C ATOM 860 C SER A 55 1.903 12.424 2.101 1.00 0.00 C ATOM 861 O SER A 55 2.971 12.939 2.370 1.00 0.00 O ATOM 862 CB SER A 55 1.829 10.157 3.156 1.00 0.00 C ATOM 863 OG SER A 55 2.585 10.895 4.107 1.00 0.00 O ATOM 0 H SER A 55 3.814 10.832 1.218 1.00 0.00 H new ATOM 0 HA SER A 55 0.822 10.734 1.342 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.820 9.987 3.531 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.280 9.177 2.999 1.00 0.00 H new ATOM 0 HG SER A 55 3.145 10.281 4.627 1.00 0.00 H new ATOM 869 N PHE A 56 0.806 13.121 2.012 1.00 0.00 N ATOM 870 CA PHE A 56 0.814 14.599 2.235 1.00 0.00 C ATOM 871 C PHE A 56 0.464 14.931 3.686 1.00 0.00 C ATOM 872 O PHE A 56 -0.568 14.546 4.199 1.00 0.00 O ATOM 873 CB PHE A 56 -0.205 15.253 1.296 1.00 0.00 C ATOM 874 CG PHE A 56 0.136 14.909 -0.137 1.00 0.00 C ATOM 875 CD1 PHE A 56 1.161 15.598 -0.798 1.00 0.00 C ATOM 876 CD2 PHE A 56 -0.572 13.901 -0.805 1.00 0.00 C ATOM 877 CE1 PHE A 56 1.476 15.279 -2.125 1.00 0.00 C ATOM 878 CE2 PHE A 56 -0.256 13.584 -2.131 1.00 0.00 C ATOM 879 CZ PHE A 56 0.769 14.272 -2.791 1.00 0.00 C ATOM 0 H PHE A 56 -0.109 12.727 1.792 1.00 0.00 H new ATOM 0 HA PHE A 56 1.813 14.982 2.027 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.210 14.906 1.535 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.200 16.334 1.433 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.708 16.375 -0.285 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.362 13.368 -0.296 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.266 15.811 -2.635 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.803 12.808 -2.645 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.014 14.026 -3.814 1.00 0.00 H new ATOM 889 N GLY A 57 1.328 15.669 4.330 1.00 0.00 N ATOM 890 CA GLY A 57 1.092 16.083 5.743 1.00 0.00 C ATOM 891 C GLY A 57 1.224 14.879 6.675 1.00 0.00 C ATOM 892 O GLY A 57 1.731 14.991 7.772 1.00 0.00 O ATOM 0 H GLY A 57 2.202 16.008 3.929 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.809 16.853 6.028 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.098 16.520 5.840 1.00 0.00 H new ATOM 896 N LYS A 58 0.754 13.742 6.253 1.00 0.00 N ATOM 897 CA LYS A 58 0.824 12.529 7.118 1.00 0.00 C ATOM 898 C LYS A 58 2.269 12.089 7.280 1.00 0.00 C ATOM 899 O LYS A 58 3.026 12.018 6.337 1.00 0.00 O ATOM 900 CB LYS A 58 0.007 11.402 6.476 1.00 0.00 C ATOM 901 CG LYS A 58 -1.446 11.853 6.267 1.00 0.00 C ATOM 902 CD LYS A 58 -2.202 11.826 7.602 1.00 0.00 C ATOM 903 CE LYS A 58 -3.670 12.182 7.372 1.00 0.00 C ATOM 904 NZ LYS A 58 -4.399 12.133 8.672 1.00 0.00 N ATOM 0 H LYS A 58 0.321 13.597 5.341 1.00 0.00 H new ATOM 0 HA LYS A 58 0.415 12.762 8.101 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.449 11.121 5.520 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.033 10.517 7.111 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.466 12.859 5.849 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.938 11.199 5.548 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.125 10.837 8.054 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.752 12.532 8.300 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.750 13.177 6.934 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.118 11.485 6.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.399 12.375 8.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.332 11.175 9.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.975 12.815 9.333 1.00 0.00 H new ATOM 918 N GLN A 59 2.649 11.801 8.494 1.00 0.00 N ATOM 919 CA GLN A 59 4.047 11.371 8.779 1.00 0.00 C ATOM 920 C GLN A 59 4.127 9.854 8.863 1.00 0.00 C ATOM 921 O GLN A 59 3.197 9.186 9.269 1.00 0.00 O ATOM 922 CB GLN A 59 4.509 11.981 10.103 1.00 0.00 C ATOM 923 CG GLN A 59 5.964 11.580 10.354 1.00 0.00 C ATOM 924 CD GLN A 59 6.512 12.339 11.564 1.00 0.00 C ATOM 925 OE1 GLN A 59 5.951 13.334 11.979 1.00 0.00 O ATOM 926 NE2 GLN A 59 7.596 11.908 12.150 1.00 0.00 N ATOM 0 H GLN A 59 2.041 11.846 9.312 1.00 0.00 H new ATOM 0 HA GLN A 59 4.693 11.714 7.971 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.418 13.067 10.070 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.876 11.633 10.919 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.030 10.506 10.527 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.568 11.798 9.473 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.067 11.073 11.801 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.972 12.406 12.956 1.00 0.00 H new ATOM 935 N LEU A 60 5.249 9.314 8.478 1.00 0.00 N ATOM 936 CA LEU A 60 5.454 7.836 8.517 1.00 0.00 C ATOM 937 C LEU A 60 6.763 7.519 9.220 1.00 0.00 C ATOM 938 O LEU A 60 7.685 8.308 9.232 1.00 0.00 O ATOM 939 CB LEU A 60 5.497 7.290 7.090 1.00 0.00 C ATOM 940 CG LEU A 60 4.148 7.538 6.403 1.00 0.00 C ATOM 941 CD1 LEU A 60 4.248 7.140 4.926 1.00 0.00 C ATOM 942 CD2 LEU A 60 3.049 6.708 7.090 1.00 0.00 C ATOM 0 H LEU A 60 6.049 9.844 8.131 1.00 0.00 H new ATOM 0 HA LEU A 60 4.631 7.372 9.061 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.297 7.774 6.529 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.718 6.223 7.105 1.00 0.00 H new ATOM 0 HG LEU A 60 3.894 8.595 6.479 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.290 7.316 4.436 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.019 7.737 4.440 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.506 6.084 4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.094 6.889 6.597 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.297 5.649 7.022 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.976 6.997 8.138 1.00 0.00 H new ATOM 954 N GLN A 61 6.837 6.358 9.814 1.00 0.00 N ATOM 955 CA GLN A 61 8.072 5.936 10.546 1.00 0.00 C ATOM 956 C GLN A 61 8.703 4.720 9.870 1.00 0.00 C ATOM 957 O GLN A 61 8.069 3.984 9.132 1.00 0.00 O ATOM 958 CB GLN A 61 7.714 5.589 11.993 1.00 0.00 C ATOM 959 CG GLN A 61 7.364 6.868 12.755 1.00 0.00 C ATOM 960 CD GLN A 61 6.993 6.520 14.197 1.00 0.00 C ATOM 961 OE1 GLN A 61 7.700 5.786 14.860 1.00 0.00 O ATOM 962 NE2 GLN A 61 5.906 7.020 14.716 1.00 0.00 N ATOM 0 H GLN A 61 6.083 5.672 9.824 1.00 0.00 H new ATOM 0 HA GLN A 61 8.789 6.757 10.531 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.871 4.899 12.014 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.551 5.084 12.475 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.211 7.554 12.742 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.533 7.378 12.268 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.312 7.636 14.161 1.00 0.00 H new ATOM 0 HE22 GLN A 61 5.650 6.795 15.677 1.00 0.00 H new ATOM 971 N ASP A 62 9.964 4.527 10.119 1.00 0.00 N ATOM 972 CA ASP A 62 10.704 3.391 9.511 1.00 0.00 C ATOM 973 C ASP A 62 10.111 2.053 9.957 1.00 0.00 C ATOM 974 O ASP A 62 9.776 1.853 11.106 1.00 0.00 O ATOM 975 CB ASP A 62 12.180 3.477 9.926 1.00 0.00 C ATOM 976 CG ASP A 62 12.975 2.347 9.266 1.00 0.00 C ATOM 977 OD1 ASP A 62 12.361 1.495 8.650 1.00 0.00 O ATOM 978 OD2 ASP A 62 14.192 2.355 9.390 1.00 0.00 O ATOM 0 H ASP A 62 10.525 5.120 10.731 1.00 0.00 H new ATOM 0 HA ASP A 62 10.620 3.451 8.426 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.593 4.442 9.634 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.266 3.408 11.010 1.00 0.00 H new ATOM 983 N SER A 63 10.001 1.143 9.025 1.00 0.00 N ATOM 984 CA SER A 63 9.452 -0.220 9.299 1.00 0.00 C ATOM 985 C SER A 63 8.092 -0.114 9.999 1.00 0.00 C ATOM 986 O SER A 63 7.719 -0.968 10.780 1.00 0.00 O ATOM 987 CB SER A 63 10.443 -1.001 10.166 1.00 0.00 C ATOM 988 OG SER A 63 9.792 -2.139 10.718 1.00 0.00 O ATOM 0 H SER A 63 10.278 1.293 8.055 1.00 0.00 H new ATOM 0 HA SER A 63 9.309 -0.749 8.357 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.300 -1.313 9.568 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.826 -0.364 10.964 1.00 0.00 H new ATOM 0 HG SER A 63 9.112 -1.847 11.361 1.00 0.00 H new ATOM 994 N ASP A 64 7.350 0.924 9.714 1.00 0.00 N ATOM 995 CA ASP A 64 6.005 1.088 10.355 1.00 0.00 C ATOM 996 C ASP A 64 4.978 0.186 9.674 1.00 0.00 C ATOM 997 O ASP A 64 4.616 0.384 8.534 1.00 0.00 O ATOM 998 CB ASP A 64 5.573 2.555 10.237 1.00 0.00 C ATOM 999 CG ASP A 64 4.337 2.804 11.109 1.00 0.00 C ATOM 1000 OD1 ASP A 64 4.046 1.969 11.948 1.00 0.00 O ATOM 1001 OD2 ASP A 64 3.704 3.831 10.921 1.00 0.00 O ATOM 0 H ASP A 64 7.614 1.666 9.066 1.00 0.00 H new ATOM 0 HA ASP A 64 6.068 0.805 11.406 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.387 3.210 10.549 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.350 2.796 9.197 1.00 0.00 H new ATOM 1006 N VAL A 65 4.512 -0.806 10.388 1.00 0.00 N ATOM 1007 CA VAL A 65 3.503 -1.755 9.828 1.00 0.00 C ATOM 1008 C VAL A 65 2.117 -1.130 9.924 1.00 0.00 C ATOM 1009 O VAL A 65 1.530 -1.041 10.983 1.00 0.00 O ATOM 1010 CB VAL A 65 3.539 -3.069 10.619 1.00 0.00 C ATOM 1011 CG1 VAL A 65 2.777 -4.146 9.845 1.00 0.00 C ATOM 1012 CG2 VAL A 65 4.992 -3.520 10.810 1.00 0.00 C ATOM 0 H VAL A 65 4.792 -1.001 11.349 1.00 0.00 H new ATOM 0 HA VAL A 65 3.734 -1.962 8.783 1.00 0.00 H new ATOM 0 HB VAL A 65 3.076 -2.915 11.594 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.801 -5.081 10.404 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.742 -3.832 9.707 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.244 -4.294 8.871 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.012 -4.454 11.372 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.457 -3.673 9.836 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.542 -2.755 11.358 1.00 0.00 H new ATOM 1022 N VAL A 66 1.596 -0.693 8.810 1.00 0.00 N ATOM 1023 CA VAL A 66 0.244 -0.063 8.785 1.00 0.00 C ATOM 1024 C VAL A 66 -0.514 -0.498 7.536 1.00 0.00 C ATOM 1025 O VAL A 66 0.056 -1.012 6.588 1.00 0.00 O ATOM 1026 CB VAL A 66 0.375 1.465 8.802 1.00 0.00 C ATOM 1027 CG1 VAL A 66 1.341 1.884 9.911 1.00 0.00 C ATOM 1028 CG2 VAL A 66 0.908 1.966 7.453 1.00 0.00 C ATOM 0 H VAL A 66 2.057 -0.747 7.902 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.308 -0.385 9.668 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.608 1.900 8.983 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.433 2.970 9.922 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.960 1.542 10.873 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.319 1.439 9.729 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.997 3.052 7.477 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.887 1.526 7.263 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.219 1.676 6.659 1.00 0.00 H new ATOM 1038 N ARG A 67 -1.803 -0.279 7.536 1.00 0.00 N ATOM 1039 CA ARG A 67 -2.653 -0.650 6.365 1.00 0.00 C ATOM 1040 C ARG A 67 -3.238 0.610 5.739 1.00 0.00 C ATOM 1041 O ARG A 67 -3.832 1.437 6.402 1.00 0.00 O ATOM 1042 CB ARG A 67 -3.778 -1.577 6.822 1.00 0.00 C ATOM 1043 CG ARG A 67 -4.584 -2.019 5.598 1.00 0.00 C ATOM 1044 CD ARG A 67 -5.691 -2.987 6.019 1.00 0.00 C ATOM 1045 NE ARG A 67 -6.677 -2.267 6.879 1.00 0.00 N ATOM 1046 CZ ARG A 67 -7.674 -1.606 6.345 1.00 0.00 C ATOM 1047 NH1 ARG A 67 -7.818 -1.550 5.044 1.00 0.00 N ATOM 1048 NH2 ARG A 67 -8.528 -0.999 7.118 1.00 0.00 N ATOM 0 H ARG A 67 -2.311 0.148 8.311 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.045 -1.167 5.623 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.366 -2.446 7.336 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.424 -1.063 7.534 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.019 -1.149 5.106 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.926 -2.499 4.874 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.188 -3.394 5.138 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.265 -3.830 6.562 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.573 -2.290 7.893 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.150 -2.024 4.436 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.598 -1.032 4.639 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.418 -1.040 8.131 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.307 -0.482 6.710 1.00 0.00 H new ATOM 1062 N ILE A 68 -3.060 0.755 4.453 1.00 0.00 N ATOM 1063 CA ILE A 68 -3.582 1.951 3.726 1.00 0.00 C ATOM 1064 C ILE A 68 -4.763 1.550 2.852 1.00 0.00 C ATOM 1065 O ILE A 68 -4.702 0.603 2.096 1.00 0.00 O ATOM 1066 CB ILE A 68 -2.476 2.533 2.841 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -1.270 2.913 3.708 1.00 0.00 C ATOM 1068 CG2 ILE A 68 -3.003 3.788 2.139 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -0.095 3.302 2.808 1.00 0.00 C ATOM 0 H ILE A 68 -2.566 0.084 3.865 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.905 2.697 4.452 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.174 1.791 2.102 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.529 3.743 4.365 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.990 2.076 4.347 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.220 4.207 1.507 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.864 3.526 1.524 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.300 4.525 2.885 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.762 3.572 3.425 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.169 2.459 2.169 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.378 4.152 2.188 1.00 0.00 H new ATOM 1081 N ASP A 69 -5.839 2.285 2.955 1.00 0.00 N ATOM 1082 CA ASP A 69 -7.065 1.998 2.144 1.00 0.00 C ATOM 1083 C ASP A 69 -7.478 3.248 1.364 1.00 0.00 C ATOM 1084 O ASP A 69 -7.386 4.359 1.848 1.00 0.00 O ATOM 1085 CB ASP A 69 -8.204 1.586 3.084 1.00 0.00 C ATOM 1086 CG ASP A 69 -9.442 1.201 2.265 1.00 0.00 C ATOM 1087 OD1 ASP A 69 -9.422 1.394 1.063 1.00 0.00 O ATOM 1088 OD2 ASP A 69 -10.393 0.718 2.861 1.00 0.00 O ATOM 0 H ASP A 69 -5.924 3.088 3.578 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.853 1.192 1.441 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -7.891 0.745 3.703 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -8.445 2.407 3.760 1.00 0.00 H new ATOM 1093 N ASN A 70 -7.942 3.047 0.157 1.00 0.00 N ATOM 1094 CA ASN A 70 -8.398 4.171 -0.717 1.00 0.00 C ATOM 1095 C ASN A 70 -7.191 4.975 -1.206 1.00 0.00 C ATOM 1096 O ASN A 70 -7.257 6.175 -1.374 1.00 0.00 O ATOM 1097 CB ASN A 70 -9.365 5.069 0.071 1.00 0.00 C ATOM 1098 CG ASN A 70 -10.233 5.874 -0.900 1.00 0.00 C ATOM 1099 OD1 ASN A 70 -10.604 5.386 -1.948 1.00 0.00 O ATOM 1100 ND2 ASN A 70 -10.575 7.094 -0.593 1.00 0.00 N ATOM 0 H ASN A 70 -8.026 2.125 -0.271 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.918 3.771 -1.587 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.996 4.460 0.718 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.804 5.744 0.717 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -11.154 7.638 -1.233 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.264 7.505 0.287 1.00 0.00 H new ATOM 1107 N ALA A 71 -6.097 4.304 -1.448 1.00 0.00 N ATOM 1108 CA ALA A 71 -4.868 4.996 -1.943 1.00 0.00 C ATOM 1109 C ALA A 71 -5.020 5.361 -3.414 1.00 0.00 C ATOM 1110 O ALA A 71 -5.564 4.612 -4.198 1.00 0.00 O ATOM 1111 CB ALA A 71 -3.658 4.074 -1.775 1.00 0.00 C ATOM 0 H ALA A 71 -6.000 3.296 -1.323 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.723 5.908 -1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.762 4.580 -2.136 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.534 3.825 -0.721 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.815 3.160 -2.348 1.00 0.00 H new ATOM 1117 N ARG A 72 -4.524 6.515 -3.777 1.00 0.00 N ATOM 1118 CA ARG A 72 -4.610 6.983 -5.192 1.00 0.00 C ATOM 1119 C ARG A 72 -3.325 6.627 -5.936 1.00 0.00 C ATOM 1120 O ARG A 72 -2.230 6.915 -5.495 1.00 0.00 O ATOM 1121 CB ARG A 72 -4.817 8.501 -5.203 1.00 0.00 C ATOM 1122 CG ARG A 72 -5.238 8.949 -6.603 1.00 0.00 C ATOM 1123 CD ARG A 72 -5.503 10.460 -6.612 1.00 0.00 C ATOM 1124 NE ARG A 72 -4.220 11.193 -6.387 1.00 0.00 N ATOM 1125 CZ ARG A 72 -4.204 12.501 -6.280 1.00 0.00 C ATOM 1126 NH1 ARG A 72 -5.317 13.192 -6.349 1.00 0.00 N ATOM 1127 NH2 ARG A 72 -3.071 13.118 -6.097 1.00 0.00 N ATOM 0 H ARG A 72 -4.056 7.163 -3.143 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.448 6.496 -5.690 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.580 8.780 -4.476 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.897 9.006 -4.909 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.457 8.704 -7.323 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.135 8.412 -6.911 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.942 10.757 -7.565 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.223 10.718 -5.835 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.347 10.671 -6.316 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.207 12.713 -6.487 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.292 14.208 -6.264 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.204 12.585 -6.038 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.052 14.134 -6.013 1.00 0.00 H new ATOM 1141 N VAL A 73 -3.471 5.991 -7.064 1.00 0.00 N ATOM 1142 CA VAL A 73 -2.285 5.581 -7.872 1.00 0.00 C ATOM 1143 C VAL A 73 -1.771 6.759 -8.684 1.00 0.00 C ATOM 1144 O VAL A 73 -2.518 7.457 -9.337 1.00 0.00 O ATOM 1145 CB VAL A 73 -2.672 4.439 -8.813 1.00 0.00 C ATOM 1146 CG1 VAL A 73 -1.416 3.911 -9.512 1.00 0.00 C ATOM 1147 CG2 VAL A 73 -3.315 3.309 -8.005 1.00 0.00 C ATOM 0 H VAL A 73 -4.372 5.734 -7.467 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.498 5.245 -7.197 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.380 4.804 -9.557 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.688 3.097 -10.184 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.953 4.715 -10.085 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.711 3.545 -8.766 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.591 2.495 -8.675 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.606 2.944 -7.262 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.207 3.683 -7.502 1.00 0.00 H new ATOM 1157 N ALA A 74 -0.484 6.974 -8.641 1.00 0.00 N ATOM 1158 CA ALA A 74 0.141 8.101 -9.398 1.00 0.00 C ATOM 1159 C ALA A 74 1.121 7.544 -10.426 1.00 0.00 C ATOM 1160 O ALA A 74 1.770 6.536 -10.212 1.00 0.00 O ATOM 1161 CB ALA A 74 0.887 9.013 -8.421 1.00 0.00 C ATOM 0 H ALA A 74 0.173 6.407 -8.105 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.634 8.671 -9.911 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.345 9.837 -8.969 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.186 9.411 -7.687 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.662 8.442 -7.910 1.00 0.00 H new ATOM 1167 N GLN A 75 1.219 8.212 -11.545 1.00 0.00 N ATOM 1168 CA GLN A 75 2.142 7.765 -12.632 1.00 0.00 C ATOM 1169 C GLN A 75 3.329 8.725 -12.719 1.00 0.00 C ATOM 1170 O GLN A 75 3.255 9.773 -13.329 1.00 0.00 O ATOM 1171 CB GLN A 75 1.380 7.754 -13.964 1.00 0.00 C ATOM 1172 CG GLN A 75 2.238 7.071 -15.032 1.00 0.00 C ATOM 1173 CD GLN A 75 1.462 6.973 -16.350 1.00 0.00 C ATOM 1174 OE1 GLN A 75 0.359 7.471 -16.461 1.00 0.00 O ATOM 1175 NE2 GLN A 75 2.000 6.345 -17.360 1.00 0.00 N ATOM 0 H GLN A 75 0.692 9.060 -11.755 1.00 0.00 H new ATOM 0 HA GLN A 75 2.510 6.762 -12.417 1.00 0.00 H new ATOM 0 HB2 GLN A 75 0.433 7.227 -13.850 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.143 8.773 -14.269 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.159 7.634 -15.184 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.526 6.075 -14.696 1.00 0.00 H new ATOM 0 HE21 GLN A 75 2.926 5.927 -17.266 1.00 0.00 H new ATOM 0 HE22 GLN A 75 1.495 6.272 -18.243 1.00 0.00 H new ATOM 1184 N PHE A 76 4.419 8.359 -12.110 1.00 0.00 N ATOM 1185 CA PHE A 76 5.643 9.215 -12.131 1.00 0.00 C ATOM 1186 C PHE A 76 6.431 8.988 -13.411 1.00 0.00 C ATOM 1187 O PHE A 76 6.023 8.251 -14.281 1.00 0.00 O ATOM 1188 CB PHE A 76 6.532 8.874 -10.930 1.00 0.00 C ATOM 1189 CG PHE A 76 6.020 9.593 -9.708 1.00 0.00 C ATOM 1190 CD1 PHE A 76 4.870 9.138 -9.058 1.00 0.00 C ATOM 1191 CD2 PHE A 76 6.696 10.723 -9.232 1.00 0.00 C ATOM 1192 CE1 PHE A 76 4.391 9.815 -7.933 1.00 0.00 C ATOM 1193 CE2 PHE A 76 6.217 11.400 -8.108 1.00 0.00 C ATOM 1194 CZ PHE A 76 5.067 10.944 -7.455 1.00 0.00 C ATOM 0 H PHE A 76 4.519 7.488 -11.588 1.00 0.00 H new ATOM 0 HA PHE A 76 5.335 10.259 -12.082 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.533 7.798 -10.758 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.563 9.166 -11.132 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.352 8.264 -9.424 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.587 11.071 -9.733 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.499 9.467 -7.432 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.734 12.275 -7.743 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.700 11.463 -6.582 1.00 0.00 H new ATOM 1204 N ASN A 77 7.554 9.659 -13.519 1.00 0.00 N ATOM 1205 CA ASN A 77 8.415 9.547 -14.731 1.00 0.00 C ATOM 1206 C ASN A 77 8.709 8.077 -15.046 1.00 0.00 C ATOM 1207 O ASN A 77 9.798 7.588 -14.830 1.00 0.00 O ATOM 1208 CB ASN A 77 9.738 10.302 -14.500 1.00 0.00 C ATOM 1209 CG ASN A 77 9.469 11.809 -14.365 1.00 0.00 C ATOM 1210 OD1 ASN A 77 8.396 12.326 -14.897 1.00 0.00 O flip ATOM 1211 ND2 ASN A 77 10.253 12.525 -13.773 1.00 0.00 N flip ATOM 0 H ASN A 77 7.913 10.290 -12.803 1.00 0.00 H new ATOM 0 HA ASN A 77 7.887 9.987 -15.577 1.00 0.00 H new ATOM 0 HB2 ASN A 77 10.226 9.930 -13.599 1.00 0.00 H new ATOM 0 HB3 ASN A 77 10.420 10.119 -15.331 1.00 0.00 H new ATOM 0 HD21 ASN A 77 11.093 12.125 -13.355 1.00 0.00 H new ATOM 0 HD22 ASN A 77 10.070 13.525 -13.694 1.00 0.00 H new ATOM 1218 N GLY A 78 7.737 7.390 -15.581 1.00 0.00 N ATOM 1219 CA GLY A 78 7.921 5.960 -15.955 1.00 0.00 C ATOM 1220 C GLY A 78 7.921 5.085 -14.705 1.00 0.00 C ATOM 1221 O GLY A 78 8.328 3.942 -14.749 1.00 0.00 O ATOM 0 H GLY A 78 6.809 7.766 -15.777 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.122 5.647 -16.627 1.00 0.00 H new ATOM 0 HA3 GLY A 78 8.860 5.836 -16.495 1.00 0.00 H new ATOM 1225 N TYR A 79 7.467 5.607 -13.597 1.00 0.00 N ATOM 1226 CA TYR A 79 7.434 4.806 -12.330 1.00 0.00 C ATOM 1227 C TYR A 79 6.061 4.903 -11.676 1.00 0.00 C ATOM 1228 O TYR A 79 5.403 5.920 -11.720 1.00 0.00 O ATOM 1229 CB TYR A 79 8.495 5.329 -11.364 1.00 0.00 C ATOM 1230 CG TYR A 79 9.863 5.150 -11.979 1.00 0.00 C ATOM 1231 CD1 TYR A 79 10.454 3.880 -12.008 1.00 0.00 C ATOM 1232 CD2 TYR A 79 10.541 6.250 -12.514 1.00 0.00 C ATOM 1233 CE1 TYR A 79 11.720 3.713 -12.582 1.00 0.00 C ATOM 1234 CE2 TYR A 79 11.806 6.083 -13.086 1.00 0.00 C ATOM 1235 CZ TYR A 79 12.398 4.815 -13.116 1.00 0.00 C ATOM 1236 OH TYR A 79 13.647 4.651 -13.679 1.00 0.00 O ATOM 0 H TYR A 79 7.114 6.560 -13.511 1.00 0.00 H new ATOM 0 HA TYR A 79 7.638 3.763 -12.570 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.317 6.382 -11.146 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.437 4.793 -10.417 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.934 3.032 -11.588 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.087 7.230 -12.485 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.174 2.733 -12.613 1.00 0.00 H new ATOM 0 HE2 TYR A 79 12.326 6.932 -13.504 1.00 0.00 H new ATOM 0 HH TYR A 79 13.976 5.516 -14.003 1.00 0.00 H new ATOM 1246 N LEU A 80 5.632 3.831 -11.069 1.00 0.00 N ATOM 1247 CA LEU A 80 4.299 3.806 -10.392 1.00 0.00 C ATOM 1248 C LEU A 80 4.475 3.922 -8.884 1.00 0.00 C ATOM 1249 O LEU A 80 5.370 3.348 -8.297 1.00 0.00 O ATOM 1250 CB LEU A 80 3.583 2.492 -10.722 1.00 0.00 C ATOM 1251 CG LEU A 80 3.469 2.334 -12.243 1.00 0.00 C ATOM 1252 CD1 LEU A 80 2.762 1.015 -12.571 1.00 0.00 C ATOM 1253 CD2 LEU A 80 2.668 3.509 -12.828 1.00 0.00 C ATOM 0 H LEU A 80 6.155 2.957 -11.011 1.00 0.00 H new ATOM 0 HA LEU A 80 3.705 4.648 -10.747 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.133 1.651 -10.299 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.591 2.484 -10.270 1.00 0.00 H new ATOM 0 HG LEU A 80 4.468 2.327 -12.680 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.682 0.904 -13.652 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.336 0.183 -12.163 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.764 1.018 -12.132 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.589 3.393 -13.909 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.670 3.522 -12.391 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.177 4.446 -12.600 1.00 0.00 H new ATOM 1265 N SER A 81 3.606 4.669 -8.261 1.00 0.00 N ATOM 1266 CA SER A 81 3.675 4.854 -6.783 1.00 0.00 C ATOM 1267 C SER A 81 2.283 5.147 -6.232 1.00 0.00 C ATOM 1268 O SER A 81 1.368 5.485 -6.956 1.00 0.00 O ATOM 1269 CB SER A 81 4.606 6.020 -6.455 1.00 0.00 C ATOM 1270 OG SER A 81 4.034 7.230 -6.930 1.00 0.00 O ATOM 0 H SER A 81 2.841 5.165 -8.718 1.00 0.00 H new ATOM 0 HA SER A 81 4.059 3.941 -6.327 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.767 6.079 -5.379 1.00 0.00 H new ATOM 0 HB3 SER A 81 5.581 5.861 -6.915 1.00 0.00 H new ATOM 0 HG SER A 81 4.704 7.730 -7.441 1.00 0.00 H new ATOM 1276 N LEU A 82 2.121 5.005 -4.942 1.00 0.00 N ATOM 1277 CA LEU A 82 0.788 5.252 -4.299 1.00 0.00 C ATOM 1278 C LEU A 82 0.810 6.567 -3.534 1.00 0.00 C ATOM 1279 O LEU A 82 1.703 6.837 -2.756 1.00 0.00 O ATOM 1280 CB LEU A 82 0.465 4.106 -3.334 1.00 0.00 C ATOM 1281 CG LEU A 82 0.494 2.768 -4.085 1.00 0.00 C ATOM 1282 CD1 LEU A 82 0.214 1.625 -3.102 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -0.576 2.769 -5.190 1.00 0.00 C ATOM 0 H LEU A 82 2.860 4.726 -4.297 1.00 0.00 H new ATOM 0 HA LEU A 82 0.025 5.305 -5.075 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.188 4.091 -2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.517 4.261 -2.887 1.00 0.00 H new ATOM 0 HG LEU A 82 1.476 2.629 -4.536 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.234 0.674 -3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.976 1.621 -2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.767 1.767 -2.649 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.552 1.817 -5.721 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.560 2.911 -4.743 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.375 3.580 -5.890 1.00 0.00 H new ATOM 1295 N SER A 83 -0.184 7.384 -3.759 1.00 0.00 N ATOM 1296 CA SER A 83 -0.277 8.705 -3.066 1.00 0.00 C ATOM 1297 C SER A 83 -1.389 8.663 -2.023 1.00 0.00 C ATOM 1298 O SER A 83 -2.532 8.373 -2.316 1.00 0.00 O ATOM 1299 CB SER A 83 -0.573 9.799 -4.095 1.00 0.00 C ATOM 1300 OG SER A 83 -1.565 9.346 -5.007 1.00 0.00 O ATOM 0 H SER A 83 -0.949 7.189 -4.405 1.00 0.00 H new ATOM 0 HA SER A 83 0.669 8.921 -2.569 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.915 10.703 -3.591 1.00 0.00 H new ATOM 0 HB3 SER A 83 0.338 10.060 -4.634 1.00 0.00 H new ATOM 0 HG SER A 83 -1.878 8.458 -4.735 1.00 0.00 H new ATOM 1306 N VAL A 84 -1.043 8.963 -0.803 1.00 0.00 N ATOM 1307 CA VAL A 84 -2.041 8.963 0.308 1.00 0.00 C ATOM 1308 C VAL A 84 -2.481 10.397 0.602 1.00 0.00 C ATOM 1309 O VAL A 84 -1.713 11.224 1.069 1.00 0.00 O ATOM 1310 CB VAL A 84 -1.402 8.351 1.556 1.00 0.00 C ATOM 1311 CG1 VAL A 84 -2.483 8.118 2.611 1.00 0.00 C ATOM 1312 CG2 VAL A 84 -0.748 7.015 1.190 1.00 0.00 C ATOM 0 H VAL A 84 -0.095 9.213 -0.522 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.913 8.375 0.019 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.645 9.028 1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.033 7.682 3.503 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.951 9.068 2.868 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.237 7.438 2.215 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.292 6.578 2.078 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.504 6.335 0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.019 7.180 0.433 1.00 0.00 H new ATOM 1322 N GLY A 85 -3.720 10.690 0.311 1.00 0.00 N ATOM 1323 CA GLY A 85 -4.271 12.059 0.540 1.00 0.00 C ATOM 1324 C GLY A 85 -5.026 12.124 1.867 1.00 0.00 C ATOM 1325 O GLY A 85 -5.124 11.161 2.599 1.00 0.00 O ATOM 0 H GLY A 85 -4.386 10.026 -0.083 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.460 12.787 0.542 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.939 12.329 -0.278 1.00 0.00 H new ATOM 1329 N ASP A 86 -5.564 13.272 2.164 1.00 0.00 N ATOM 1330 CA ASP A 86 -6.328 13.468 3.428 1.00 0.00 C ATOM 1331 C ASP A 86 -7.601 12.620 3.399 1.00 0.00 C ATOM 1332 O ASP A 86 -8.107 12.212 4.425 1.00 0.00 O ATOM 1333 CB ASP A 86 -6.704 14.948 3.563 1.00 0.00 C ATOM 1334 CG ASP A 86 -7.196 15.221 4.985 1.00 0.00 C ATOM 1335 OD1 ASP A 86 -6.976 14.379 5.838 1.00 0.00 O ATOM 1336 OD2 ASP A 86 -7.786 16.269 5.197 1.00 0.00 O ATOM 0 H ASP A 86 -5.506 14.101 1.572 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.714 13.164 4.276 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.841 15.575 3.338 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.481 15.204 2.842 1.00 0.00 H new ATOM 1341 N SER A 87 -8.128 12.376 2.232 1.00 0.00 N ATOM 1342 CA SER A 87 -9.382 11.573 2.123 1.00 0.00 C ATOM 1343 C SER A 87 -9.043 10.087 2.270 1.00 0.00 C ATOM 1344 O SER A 87 -9.917 9.245 2.307 1.00 0.00 O ATOM 1345 CB SER A 87 -10.022 11.826 0.750 1.00 0.00 C ATOM 1346 OG SER A 87 -9.171 11.327 -0.274 1.00 0.00 O ATOM 0 H SER A 87 -7.744 12.699 1.344 1.00 0.00 H new ATOM 0 HA SER A 87 -10.080 11.863 2.908 1.00 0.00 H new ATOM 0 HB2 SER A 87 -10.996 11.339 0.697 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.191 12.893 0.608 1.00 0.00 H new ATOM 0 HG SER A 87 -9.582 11.488 -1.149 1.00 0.00 H new ATOM 1352 N SER A 88 -7.779 9.770 2.357 1.00 0.00 N ATOM 1353 CA SER A 88 -7.355 8.346 2.505 1.00 0.00 C ATOM 1354 C SER A 88 -7.500 7.905 3.956 1.00 0.00 C ATOM 1355 O SER A 88 -7.699 8.706 4.844 1.00 0.00 O ATOM 1356 CB SER A 88 -5.892 8.203 2.083 1.00 0.00 C ATOM 1357 OG SER A 88 -5.527 6.828 2.121 1.00 0.00 O ATOM 0 H SER A 88 -7.014 10.444 2.332 1.00 0.00 H new ATOM 0 HA SER A 88 -7.987 7.722 1.873 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.750 8.602 1.079 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.251 8.781 2.749 1.00 0.00 H new ATOM 0 HG SER A 88 -5.098 6.580 1.276 1.00 0.00 H new ATOM 1363 N ARG A 89 -7.405 6.621 4.192 1.00 0.00 N ATOM 1364 CA ARG A 89 -7.542 6.080 5.582 1.00 0.00 C ATOM 1365 C ARG A 89 -6.319 5.247 5.938 1.00 0.00 C ATOM 1366 O ARG A 89 -5.821 4.474 5.146 1.00 0.00 O ATOM 1367 CB ARG A 89 -8.801 5.210 5.647 1.00 0.00 C ATOM 1368 CG ARG A 89 -10.042 6.056 5.305 1.00 0.00 C ATOM 1369 CD ARG A 89 -10.518 6.800 6.558 1.00 0.00 C ATOM 1370 NE ARG A 89 -11.676 7.671 6.213 1.00 0.00 N ATOM 1371 CZ ARG A 89 -12.889 7.179 6.135 1.00 0.00 C ATOM 1372 NH1 ARG A 89 -13.109 5.902 6.331 1.00 0.00 N ATOM 1373 NH2 ARG A 89 -13.882 7.967 5.844 1.00 0.00 N ATOM 0 H ARG A 89 -7.237 5.916 3.474 1.00 0.00 H new ATOM 0 HA ARG A 89 -7.622 6.903 6.293 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.714 4.377 4.949 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.906 4.781 6.644 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -9.803 6.768 4.516 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -10.838 5.415 4.926 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -10.805 6.086 7.330 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -9.706 7.402 6.966 1.00 0.00 H new ATOM 0 HE ARG A 89 -11.523 8.664 6.035 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -12.332 5.278 6.547 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -14.057 5.532 6.267 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -13.714 8.959 5.678 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -14.829 7.593 5.781 1.00 0.00 H new ATOM 1387 N ILE A 90 -5.834 5.410 7.143 1.00 0.00 N ATOM 1388 CA ILE A 90 -4.633 4.647 7.604 1.00 0.00 C ATOM 1389 C ILE A 90 -4.928 3.937 8.920 1.00 0.00 C ATOM 1390 O ILE A 90 -5.401 4.529 9.868 1.00 0.00 O ATOM 1391 CB ILE A 90 -3.460 5.605 7.812 1.00 0.00 C ATOM 1392 CG1 ILE A 90 -3.091 6.259 6.477 1.00 0.00 C ATOM 1393 CG2 ILE A 90 -2.263 4.813 8.347 1.00 0.00 C ATOM 1394 CD1 ILE A 90 -2.079 7.382 6.717 1.00 0.00 C ATOM 0 H ILE A 90 -6.224 6.048 7.837 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.381 3.908 6.843 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.736 6.382 8.525 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.670 5.515 5.800 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.985 6.658 5.997 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.420 5.487 8.499 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.530 4.346 9.295 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.986 4.042 7.628 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.818 7.846 5.766 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.516 8.131 7.378 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.181 6.970 7.178 1.00 0.00 H new ATOM 1406 N GLU A 91 -4.618 2.668 8.982 1.00 0.00 N ATOM 1407 CA GLU A 91 -4.838 1.877 10.235 1.00 0.00 C ATOM 1408 C GLU A 91 -3.521 1.226 10.663 1.00 0.00 C ATOM 1409 O GLU A 91 -2.877 0.527 9.906 1.00 0.00 O ATOM 1410 CB GLU A 91 -5.894 0.799 9.981 1.00 0.00 C ATOM 1411 CG GLU A 91 -6.239 0.096 11.302 1.00 0.00 C ATOM 1412 CD GLU A 91 -6.996 1.056 12.230 1.00 0.00 C ATOM 1413 OE1 GLU A 91 -7.352 2.133 11.782 1.00 0.00 O ATOM 1414 OE2 GLU A 91 -7.204 0.692 13.377 1.00 0.00 O ATOM 0 H GLU A 91 -4.216 2.137 8.209 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.187 2.538 11.029 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.790 1.247 9.551 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.521 0.074 9.258 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.847 -0.787 11.105 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.326 -0.248 11.789 1.00 0.00 H new ATOM 1421 N SER A 92 -3.127 1.465 11.883 1.00 0.00 N ATOM 1422 CA SER A 92 -1.857 0.886 12.410 1.00 0.00 C ATOM 1423 C SER A 92 -2.039 -0.593 12.730 1.00 0.00 C ATOM 1424 O SER A 92 -3.120 -1.051 13.036 1.00 0.00 O ATOM 1425 CB SER A 92 -1.445 1.632 13.683 1.00 0.00 C ATOM 1426 OG SER A 92 -2.384 1.364 14.717 1.00 0.00 O ATOM 0 H SER A 92 -3.638 2.046 12.548 1.00 0.00 H new ATOM 0 HA SER A 92 -1.082 0.991 11.651 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.448 1.320 13.993 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.398 2.704 13.490 1.00 0.00 H new ATOM 0 HG SER A 92 -2.119 1.840 15.531 1.00 0.00 H new ATOM 1432 N VAL A 93 -0.969 -1.336 12.668 1.00 0.00 N ATOM 1433 CA VAL A 93 -1.026 -2.797 12.972 1.00 0.00 C ATOM 1434 C VAL A 93 0.251 -3.214 13.702 1.00 0.00 C ATOM 1435 O VAL A 93 1.279 -3.451 13.100 1.00 0.00 O ATOM 1436 CB VAL A 93 -1.165 -3.584 11.667 1.00 0.00 C ATOM 1437 CG1 VAL A 93 -1.219 -5.077 11.987 1.00 0.00 C ATOM 1438 CG2 VAL A 93 -2.457 -3.168 10.957 1.00 0.00 C ATOM 0 H VAL A 93 -0.043 -0.989 12.416 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.886 -3.007 13.608 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.313 -3.377 11.020 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.318 -5.644 11.061 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.303 -5.373 12.498 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.075 -5.280 12.631 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.558 -3.728 10.027 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.310 -3.379 11.602 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.424 -2.101 10.736 1.00 0.00 H new