USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 804 hydrogens (21 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 THR OG1 : rot -24:sc= 0.902 USER MOD Set 1.2: A 27 SER OG : rot -89:sc= 1.51 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 160:sc= 1.29 (180deg=0.708) USER MOD Single : A 2 THR OG1 : rot 37:sc= 0.214 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -130:sc= 0 USER MOD Single : A 10 THR OG1 : rot 79:sc= 1.11 USER MOD Single : A 15 THR OG1 : rot 71:sc= 1.04 USER MOD Single : A 16 CYS SG : rot -171:sc= -1.8 USER MOD Single : A 22 THR OG1 : rot 2:sc= 0.834 USER MOD Single : A 28 HIS : no HD1:sc= 0.0748 K(o=0.075,f=-11!) USER MOD Single : A 49 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 59 LYS NZ :NH3+ -130:sc= 0.704 (180deg=0.294) USER MOD Single : A 61 THR OG1 : rot 66:sc= 1.24 USER MOD Single : A 62 GLN : amide:sc= -0.0756 X(o=-0.076,f=-0.085) USER MOD Single : A 65 ASN : amide:sc= -0.117 K(o=-0.12,f=-0.65) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 114:sc= -0.053 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0364 USER MOD Single : A 73 GLN :FLIP amide:sc= 0.653 F(o=0.00026,f=0.65) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.585 K(o=0.58,f=-0.64) USER MOD Single : A 91 LYS NZ :NH3+ -154:sc= 1.09 (180deg=0.532) USER MOD Single : A 96 HIS : no HE2:sc= -0.872 K(o=-0.87,f=-2.9!) USER MOD Single : A 97 HIS : no HD1:sc= -1.45! C(o=-1.5!,f=-4.3!) USER MOD Single : A 98 HIS : no HD1:sc=-0.00234 X(o=-0.0023,f=-0.0023) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-2.4e-05) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.31 K(o=-0.31,f=-0.9) USER MOD Single : A 102 PNS O33 : rot 180:sc= 0 USER MOD Single : A 102 PNS S44 : rot 2:sc= 0.574 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.682 -0.839 -0.153 1.00 0.00 N ATOM 2 CA MET A 1 -16.119 -0.012 0.951 1.00 0.00 C ATOM 3 C MET A 1 -14.588 0.043 0.850 1.00 0.00 C ATOM 4 O MET A 1 -13.974 -0.797 0.176 1.00 0.00 O ATOM 5 CB MET A 1 -16.553 -0.569 2.337 1.00 0.00 C ATOM 6 CG MET A 1 -18.067 -0.502 2.617 1.00 0.00 C ATOM 7 SD MET A 1 -19.051 -1.477 1.451 1.00 0.00 S ATOM 8 CE MET A 1 -20.722 -1.071 1.962 1.00 0.00 C ATOM 0 H1 MET A 1 -17.641 -1.150 0.101 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.721 -0.274 -1.025 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.077 -1.671 -0.306 1.00 0.00 H new ATOM 0 HA MET A 1 -16.512 1.000 0.854 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.230 -1.607 2.413 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.029 -0.014 3.116 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.259 -0.857 3.630 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.392 0.538 2.576 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.435 -1.601 1.330 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.867 -1.368 3.001 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.881 0.003 1.866 1.00 0.00 H new ATOM 20 N THR A 2 -13.999 1.038 1.546 1.00 0.00 N ATOM 21 CA THR A 2 -12.544 1.281 1.631 1.00 0.00 C ATOM 22 C THR A 2 -11.829 1.254 0.258 1.00 0.00 C ATOM 23 O THR A 2 -11.282 0.220 -0.164 1.00 0.00 O ATOM 24 CB THR A 2 -11.834 0.323 2.661 1.00 0.00 C ATOM 25 OG1 THR A 2 -12.033 -1.059 2.311 1.00 0.00 O ATOM 26 CG2 THR A 2 -12.333 0.543 4.104 1.00 0.00 C ATOM 0 H THR A 2 -14.541 1.716 2.082 1.00 0.00 H new ATOM 0 HA THR A 2 -12.451 2.300 2.006 1.00 0.00 H new ATOM 0 HB THR A 2 -10.773 0.567 2.616 1.00 0.00 H new ATOM 0 HG1 THR A 2 -12.006 -1.157 1.336 1.00 0.00 H new ATOM 0 HG21 THR A 2 -11.814 -0.140 4.776 1.00 0.00 H new ATOM 0 HG22 THR A 2 -12.132 1.571 4.406 1.00 0.00 H new ATOM 0 HG23 THR A 2 -13.405 0.354 4.151 1.00 0.00 H new ATOM 34 N SER A 3 -11.891 2.386 -0.459 1.00 0.00 N ATOM 35 CA SER A 3 -11.070 2.619 -1.651 1.00 0.00 C ATOM 36 C SER A 3 -9.658 2.983 -1.183 1.00 0.00 C ATOM 37 O SER A 3 -9.509 3.903 -0.375 1.00 0.00 O ATOM 38 CB SER A 3 -11.683 3.748 -2.504 1.00 0.00 C ATOM 39 OG SER A 3 -10.833 4.119 -3.575 1.00 0.00 O ATOM 0 H SER A 3 -12.511 3.162 -0.228 1.00 0.00 H new ATOM 0 HA SER A 3 -11.031 1.726 -2.274 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.645 3.423 -2.900 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.874 4.617 -1.874 1.00 0.00 H new ATOM 0 HG SER A 3 -11.255 4.835 -4.094 1.00 0.00 H new ATOM 45 N THR A 4 -8.641 2.253 -1.676 1.00 0.00 N ATOM 46 CA THR A 4 -7.254 2.399 -1.208 1.00 0.00 C ATOM 47 C THR A 4 -6.737 3.842 -1.399 1.00 0.00 C ATOM 48 O THR A 4 -6.222 4.426 -0.452 1.00 0.00 O ATOM 49 CB THR A 4 -6.302 1.391 -1.920 1.00 0.00 C ATOM 50 OG1 THR A 4 -6.836 0.062 -1.798 1.00 0.00 O ATOM 51 CG2 THR A 4 -4.883 1.414 -1.325 1.00 0.00 C ATOM 0 H THR A 4 -8.758 1.550 -2.406 1.00 0.00 H new ATOM 0 HA THR A 4 -7.257 2.176 -0.141 1.00 0.00 H new ATOM 0 HB THR A 4 -6.234 1.687 -2.967 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.137 -0.543 -1.473 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.256 0.696 -1.853 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.460 2.413 -1.432 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.927 1.150 -0.268 1.00 0.00 H new ATOM 59 N PHE A 5 -6.932 4.417 -2.612 1.00 0.00 N ATOM 60 CA PHE A 5 -6.542 5.814 -2.895 1.00 0.00 C ATOM 61 C PHE A 5 -7.287 6.797 -1.972 1.00 0.00 C ATOM 62 O PHE A 5 -6.677 7.726 -1.464 1.00 0.00 O ATOM 63 CB PHE A 5 -6.772 6.212 -4.385 1.00 0.00 C ATOM 64 CG PHE A 5 -6.594 7.717 -4.636 1.00 0.00 C ATOM 65 CD1 PHE A 5 -5.334 8.312 -4.559 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.699 8.545 -4.876 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.190 9.678 -4.708 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.547 9.906 -5.036 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.295 10.472 -4.950 1.00 0.00 C ATOM 0 H PHE A 5 -7.355 3.934 -3.404 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.472 5.876 -2.698 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.076 5.659 -5.015 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.777 5.915 -4.684 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.463 7.699 -4.381 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.686 8.110 -4.937 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.210 10.127 -4.635 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.409 10.527 -5.229 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.176 11.538 -5.072 1.00 0.00 H new ATOM 79 N ASP A 6 -8.600 6.585 -1.774 1.00 0.00 N ATOM 80 CA ASP A 6 -9.438 7.469 -0.923 1.00 0.00 C ATOM 81 C ASP A 6 -8.901 7.500 0.517 1.00 0.00 C ATOM 82 O ASP A 6 -8.799 8.571 1.121 1.00 0.00 O ATOM 83 CB ASP A 6 -10.916 7.010 -0.930 1.00 0.00 C ATOM 84 CG ASP A 6 -11.819 7.844 0.003 1.00 0.00 C ATOM 85 OD1 ASP A 6 -12.270 8.931 -0.408 1.00 0.00 O ATOM 86 OD2 ASP A 6 -12.072 7.424 1.154 1.00 0.00 O ATOM 0 H ASP A 6 -9.112 5.807 -2.191 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.390 8.476 -1.338 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.303 7.070 -1.947 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.965 5.963 -0.631 1.00 0.00 H new ATOM 91 N ARG A 7 -8.553 6.309 1.024 1.00 0.00 N ATOM 92 CA ARG A 7 -7.954 6.132 2.354 1.00 0.00 C ATOM 93 C ARG A 7 -6.631 6.912 2.462 1.00 0.00 C ATOM 94 O ARG A 7 -6.468 7.712 3.373 1.00 0.00 O ATOM 95 CB ARG A 7 -7.703 4.631 2.628 1.00 0.00 C ATOM 96 CG ARG A 7 -8.976 3.767 2.792 1.00 0.00 C ATOM 97 CD ARG A 7 -9.712 4.041 4.117 1.00 0.00 C ATOM 98 NE ARG A 7 -8.866 3.732 5.280 1.00 0.00 N ATOM 99 CZ ARG A 7 -9.159 4.018 6.556 1.00 0.00 C ATOM 100 NH1 ARG A 7 -10.277 4.662 6.874 1.00 0.00 N ATOM 101 NH2 ARG A 7 -8.324 3.650 7.515 1.00 0.00 N ATOM 0 H ARG A 7 -8.681 5.433 0.517 1.00 0.00 H new ATOM 0 HA ARG A 7 -8.649 6.521 3.098 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.110 4.223 1.809 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.102 4.539 3.533 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.652 3.960 1.959 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.704 2.713 2.743 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -10.016 5.087 4.155 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -10.622 3.442 4.159 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.980 3.259 5.100 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.928 4.947 6.142 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.485 4.872 7.850 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -7.465 3.153 7.280 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.540 3.864 8.489 1.00 0.00 H new ATOM 115 N VAL A 8 -5.729 6.684 1.485 1.00 0.00 N ATOM 116 CA VAL A 8 -4.381 7.300 1.433 1.00 0.00 C ATOM 117 C VAL A 8 -4.467 8.832 1.319 1.00 0.00 C ATOM 118 O VAL A 8 -3.725 9.549 1.976 1.00 0.00 O ATOM 119 CB VAL A 8 -3.553 6.707 0.230 1.00 0.00 C ATOM 120 CG1 VAL A 8 -2.198 7.439 0.021 1.00 0.00 C ATOM 121 CG2 VAL A 8 -3.333 5.197 0.440 1.00 0.00 C ATOM 0 H VAL A 8 -5.916 6.060 0.700 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.870 7.063 2.366 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.134 6.865 -0.679 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.668 6.991 -0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.382 8.493 -0.186 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.592 7.347 0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.760 4.793 -0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.785 5.035 1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.298 4.693 0.495 1.00 0.00 H new ATOM 131 N ALA A 9 -5.401 9.305 0.492 1.00 0.00 N ATOM 132 CA ALA A 9 -5.636 10.736 0.235 1.00 0.00 C ATOM 133 C ALA A 9 -6.083 11.460 1.517 1.00 0.00 C ATOM 134 O ALA A 9 -5.594 12.551 1.842 1.00 0.00 O ATOM 135 CB ALA A 9 -6.695 10.885 -0.870 1.00 0.00 C ATOM 0 H ALA A 9 -6.030 8.696 -0.031 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.704 11.196 -0.094 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.872 11.943 -1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.340 10.404 -1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.624 10.414 -0.549 1.00 0.00 H new ATOM 141 N THR A 10 -7.014 10.814 2.237 1.00 0.00 N ATOM 142 CA THR A 10 -7.489 11.265 3.552 1.00 0.00 C ATOM 143 C THR A 10 -6.330 11.266 4.576 1.00 0.00 C ATOM 144 O THR A 10 -6.182 12.218 5.350 1.00 0.00 O ATOM 145 CB THR A 10 -8.670 10.356 4.045 1.00 0.00 C ATOM 146 OG1 THR A 10 -9.724 10.352 3.055 1.00 0.00 O ATOM 147 CG2 THR A 10 -9.252 10.818 5.393 1.00 0.00 C ATOM 0 H THR A 10 -7.462 9.955 1.918 1.00 0.00 H new ATOM 0 HA THR A 10 -7.859 12.286 3.458 1.00 0.00 H new ATOM 0 HB THR A 10 -8.265 9.354 4.186 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.484 9.746 2.324 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.065 10.153 5.685 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.472 10.793 6.154 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.632 11.835 5.296 1.00 0.00 H new ATOM 155 N ILE A 11 -5.497 10.203 4.529 1.00 0.00 N ATOM 156 CA ILE A 11 -4.302 10.046 5.383 1.00 0.00 C ATOM 157 C ILE A 11 -3.327 11.220 5.196 1.00 0.00 C ATOM 158 O ILE A 11 -2.919 11.825 6.179 1.00 0.00 O ATOM 159 CB ILE A 11 -3.575 8.653 5.117 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.404 7.476 5.732 1.00 0.00 C ATOM 161 CG2 ILE A 11 -2.107 8.633 5.628 1.00 0.00 C ATOM 162 CD1 ILE A 11 -3.878 6.078 5.426 1.00 0.00 C ATOM 0 H ILE A 11 -5.639 9.422 3.889 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.639 10.051 6.420 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.525 8.520 4.036 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.439 7.604 6.814 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.429 7.548 5.370 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.662 7.660 5.420 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.535 9.409 5.121 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.093 8.816 6.702 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.522 5.336 5.897 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.871 5.920 4.348 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.864 5.978 5.814 1.00 0.00 H new ATOM 174 N ILE A 12 -3.011 11.574 3.935 1.00 0.00 N ATOM 175 CA ILE A 12 -2.025 12.631 3.615 1.00 0.00 C ATOM 176 C ILE A 12 -2.543 14.007 4.082 1.00 0.00 C ATOM 177 O ILE A 12 -1.782 14.836 4.610 1.00 0.00 O ATOM 178 CB ILE A 12 -1.704 12.660 2.071 1.00 0.00 C ATOM 179 CG1 ILE A 12 -1.104 11.298 1.605 1.00 0.00 C ATOM 180 CG2 ILE A 12 -0.757 13.827 1.696 1.00 0.00 C ATOM 181 CD1 ILE A 12 -0.846 11.191 0.106 1.00 0.00 C ATOM 0 H ILE A 12 -3.428 11.139 3.112 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.101 12.404 4.147 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.647 12.825 1.550 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.165 11.131 2.134 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.783 10.498 1.900 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.563 13.808 0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.224 14.775 1.964 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.184 13.720 2.237 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.429 10.210 -0.122 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.783 11.322 -0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.141 11.964 -0.198 1.00 0.00 H new ATOM 193 N ALA A 13 -3.855 14.221 3.891 1.00 0.00 N ATOM 194 CA ALA A 13 -4.562 15.410 4.385 1.00 0.00 C ATOM 195 C ALA A 13 -4.450 15.557 5.920 1.00 0.00 C ATOM 196 O ALA A 13 -4.367 16.670 6.427 1.00 0.00 O ATOM 197 CB ALA A 13 -6.032 15.379 3.936 1.00 0.00 C ATOM 0 H ALA A 13 -4.457 13.570 3.387 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.082 16.287 3.950 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.545 16.266 4.309 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.080 15.363 2.847 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.515 14.486 4.334 1.00 0.00 H new ATOM 203 N GLU A 14 -4.458 14.427 6.648 1.00 0.00 N ATOM 204 CA GLU A 14 -4.294 14.419 8.121 1.00 0.00 C ATOM 205 C GLU A 14 -2.808 14.470 8.548 1.00 0.00 C ATOM 206 O GLU A 14 -2.489 15.016 9.613 1.00 0.00 O ATOM 207 CB GLU A 14 -4.974 13.163 8.718 1.00 0.00 C ATOM 208 CG GLU A 14 -6.493 13.061 8.437 1.00 0.00 C ATOM 209 CD GLU A 14 -7.313 14.229 9.020 1.00 0.00 C ATOM 210 OE1 GLU A 14 -7.621 14.199 10.223 1.00 0.00 O ATOM 211 OE2 GLU A 14 -7.649 15.180 8.277 1.00 0.00 O ATOM 0 H GLU A 14 -4.577 13.499 6.241 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.772 15.319 8.508 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.483 12.275 8.319 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.816 13.157 9.796 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.652 13.020 7.359 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.867 12.124 8.850 1.00 0.00 H new ATOM 218 N THR A 15 -1.912 13.896 7.720 1.00 0.00 N ATOM 219 CA THR A 15 -0.479 13.745 8.054 1.00 0.00 C ATOM 220 C THR A 15 0.287 15.064 7.842 1.00 0.00 C ATOM 221 O THR A 15 0.768 15.663 8.808 1.00 0.00 O ATOM 222 CB THR A 15 0.192 12.602 7.209 1.00 0.00 C ATOM 223 OG1 THR A 15 -0.477 11.357 7.458 1.00 0.00 O ATOM 224 CG2 THR A 15 1.698 12.437 7.517 1.00 0.00 C ATOM 0 H THR A 15 -2.159 13.524 6.803 1.00 0.00 H new ATOM 0 HA THR A 15 -0.427 13.474 9.109 1.00 0.00 H new ATOM 0 HB THR A 15 0.099 12.886 6.161 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.365 11.374 7.043 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.109 11.634 6.905 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.219 13.367 7.292 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.829 12.193 8.571 1.00 0.00 H new ATOM 232 N CYS A 16 0.355 15.538 6.583 1.00 0.00 N ATOM 233 CA CYS A 16 1.183 16.700 6.193 1.00 0.00 C ATOM 234 C CYS A 16 0.297 17.914 5.854 1.00 0.00 C ATOM 235 O CYS A 16 0.807 18.954 5.428 1.00 0.00 O ATOM 236 CB CYS A 16 2.063 16.309 4.978 1.00 0.00 C ATOM 237 SG CYS A 16 3.080 14.837 5.252 1.00 0.00 S ATOM 0 H CYS A 16 -0.162 15.127 5.806 1.00 0.00 H new ATOM 0 HA CYS A 16 1.823 16.982 7.029 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.419 16.138 4.115 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.714 17.147 4.729 1.00 0.00 H new ATOM 0 HG CYS A 16 3.914 14.696 4.265 1.00 0.00 H new ATOM 243 N ASP A 17 -1.027 17.771 6.098 1.00 0.00 N ATOM 244 CA ASP A 17 -2.071 18.755 5.732 1.00 0.00 C ATOM 245 C ASP A 17 -1.958 19.201 4.257 1.00 0.00 C ATOM 246 O ASP A 17 -1.462 20.290 3.947 1.00 0.00 O ATOM 247 CB ASP A 17 -2.092 19.959 6.720 1.00 0.00 C ATOM 248 CG ASP A 17 -3.291 20.901 6.513 1.00 0.00 C ATOM 249 OD1 ASP A 17 -4.446 20.447 6.675 1.00 0.00 O ATOM 250 OD2 ASP A 17 -3.096 22.100 6.205 1.00 0.00 O ATOM 0 H ASP A 17 -1.407 16.948 6.566 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.035 18.255 5.824 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.110 19.580 7.742 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.169 20.528 6.607 1.00 0.00 H new ATOM 255 N ILE A 18 -2.340 18.292 3.350 1.00 0.00 N ATOM 256 CA ILE A 18 -2.395 18.560 1.902 1.00 0.00 C ATOM 257 C ILE A 18 -3.871 18.476 1.465 1.00 0.00 C ATOM 258 O ILE A 18 -4.524 17.469 1.769 1.00 0.00 O ATOM 259 CB ILE A 18 -1.505 17.540 1.087 1.00 0.00 C ATOM 260 CG1 ILE A 18 -0.030 17.543 1.617 1.00 0.00 C ATOM 261 CG2 ILE A 18 -1.545 17.825 -0.443 1.00 0.00 C ATOM 262 CD1 ILE A 18 0.735 18.855 1.450 1.00 0.00 C ATOM 0 H ILE A 18 -2.622 17.344 3.599 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.994 19.552 1.696 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.926 16.547 1.241 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.044 17.285 2.676 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.522 16.755 1.104 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.920 17.100 -0.965 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.571 17.743 -0.802 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.172 18.831 -0.636 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.742 18.742 1.851 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.792 19.111 0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.217 19.649 1.988 1.00 0.00 H new ATOM 274 N PRO A 19 -4.439 19.547 0.802 1.00 0.00 N ATOM 275 CA PRO A 19 -5.869 19.573 0.381 1.00 0.00 C ATOM 276 C PRO A 19 -6.232 18.414 -0.571 1.00 0.00 C ATOM 277 O PRO A 19 -5.484 18.134 -1.506 1.00 0.00 O ATOM 278 CB PRO A 19 -6.009 20.946 -0.341 1.00 0.00 C ATOM 279 CG PRO A 19 -4.896 21.776 0.209 1.00 0.00 C ATOM 280 CD PRO A 19 -3.748 20.817 0.418 1.00 0.00 C ATOM 0 HA PRO A 19 -6.543 19.453 1.229 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.924 20.836 -1.422 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.979 21.402 -0.142 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.622 22.573 -0.482 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.186 22.252 1.146 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.153 20.695 -0.487 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.071 21.161 1.200 1.00 0.00 H new ATOM 288 N ARG A 20 -7.386 17.768 -0.319 1.00 0.00 N ATOM 289 CA ARG A 20 -7.912 16.657 -1.144 1.00 0.00 C ATOM 290 C ARG A 20 -8.081 17.073 -2.630 1.00 0.00 C ATOM 291 O ARG A 20 -7.973 16.231 -3.526 1.00 0.00 O ATOM 292 CB ARG A 20 -9.264 16.160 -0.541 1.00 0.00 C ATOM 293 CG ARG A 20 -9.938 14.984 -1.291 1.00 0.00 C ATOM 294 CD ARG A 20 -9.127 13.678 -1.240 1.00 0.00 C ATOM 295 NE ARG A 20 -9.775 12.602 -2.036 1.00 0.00 N ATOM 296 CZ ARG A 20 -10.220 11.429 -1.557 1.00 0.00 C ATOM 297 NH1 ARG A 20 -10.092 11.106 -0.275 1.00 0.00 N ATOM 298 NH2 ARG A 20 -10.808 10.566 -2.373 1.00 0.00 N ATOM 0 H ARG A 20 -7.988 18.003 0.470 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.190 15.841 -1.128 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.091 15.858 0.492 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.960 16.998 -0.516 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.924 14.807 -0.861 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.090 15.267 -2.332 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.121 13.858 -1.620 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.023 13.353 -0.205 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.892 12.770 -3.035 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.647 11.756 0.373 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.439 10.208 0.062 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.921 10.794 -3.361 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.147 9.674 -2.013 1.00 0.00 H new ATOM 312 N GLU A 21 -8.306 18.382 -2.881 1.00 0.00 N ATOM 313 CA GLU A 21 -8.458 18.927 -4.249 1.00 0.00 C ATOM 314 C GLU A 21 -7.107 18.898 -5.003 1.00 0.00 C ATOM 315 O GLU A 21 -7.068 18.724 -6.219 1.00 0.00 O ATOM 316 CB GLU A 21 -9.038 20.371 -4.191 1.00 0.00 C ATOM 317 CG GLU A 21 -8.137 21.411 -3.489 1.00 0.00 C ATOM 318 CD GLU A 21 -8.776 22.810 -3.391 1.00 0.00 C ATOM 319 OE1 GLU A 21 -8.766 23.551 -4.401 1.00 0.00 O ATOM 320 OE2 GLU A 21 -9.283 23.177 -2.306 1.00 0.00 O ATOM 0 H GLU A 21 -8.387 19.086 -2.147 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.159 18.299 -4.800 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.232 20.709 -5.209 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.999 20.340 -3.677 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.900 21.057 -2.486 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.194 21.488 -4.030 1.00 0.00 H new ATOM 327 N THR A 22 -5.999 19.056 -4.255 1.00 0.00 N ATOM 328 CA THR A 22 -4.634 18.970 -4.807 1.00 0.00 C ATOM 329 C THR A 22 -4.061 17.547 -4.632 1.00 0.00 C ATOM 330 O THR A 22 -2.868 17.327 -4.842 1.00 0.00 O ATOM 331 CB THR A 22 -3.690 20.030 -4.137 1.00 0.00 C ATOM 332 OG1 THR A 22 -3.724 19.880 -2.714 1.00 0.00 O ATOM 333 CG2 THR A 22 -4.080 21.476 -4.523 1.00 0.00 C ATOM 0 H THR A 22 -6.025 19.246 -3.253 1.00 0.00 H new ATOM 0 HA THR A 22 -4.689 19.189 -5.873 1.00 0.00 H new ATOM 0 HB THR A 22 -2.679 19.852 -4.503 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.302 19.124 -2.478 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.401 22.178 -4.038 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.013 21.595 -5.604 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.101 21.676 -4.199 1.00 0.00 H new ATOM 341 N ILE A 23 -4.925 16.582 -4.265 1.00 0.00 N ATOM 342 CA ILE A 23 -4.557 15.166 -4.165 1.00 0.00 C ATOM 343 C ILE A 23 -5.333 14.396 -5.253 1.00 0.00 C ATOM 344 O ILE A 23 -6.494 14.042 -5.070 1.00 0.00 O ATOM 345 CB ILE A 23 -4.867 14.575 -2.730 1.00 0.00 C ATOM 346 CG1 ILE A 23 -4.023 15.293 -1.631 1.00 0.00 C ATOM 347 CG2 ILE A 23 -4.618 13.049 -2.687 1.00 0.00 C ATOM 348 CD1 ILE A 23 -4.314 14.846 -0.208 1.00 0.00 C ATOM 0 H ILE A 23 -5.900 16.768 -4.030 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.483 15.061 -4.316 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.922 14.755 -2.525 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.966 15.128 -1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.198 16.366 -1.702 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.840 12.672 -1.688 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.263 12.554 -3.413 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.575 12.844 -2.929 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.680 15.400 0.484 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.361 15.037 0.027 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.110 13.780 -0.113 1.00 0.00 H new ATOM 360 N THR A 24 -4.699 14.211 -6.413 1.00 0.00 N ATOM 361 CA THR A 24 -5.247 13.397 -7.512 1.00 0.00 C ATOM 362 C THR A 24 -4.509 12.042 -7.536 1.00 0.00 C ATOM 363 O THR A 24 -3.402 11.946 -6.987 1.00 0.00 O ATOM 364 CB THR A 24 -5.087 14.143 -8.887 1.00 0.00 C ATOM 365 OG1 THR A 24 -3.701 14.389 -9.168 1.00 0.00 O ATOM 366 CG2 THR A 24 -5.850 15.480 -8.908 1.00 0.00 C ATOM 0 H THR A 24 -3.788 14.620 -6.622 1.00 0.00 H new ATOM 0 HA THR A 24 -6.312 13.231 -7.351 1.00 0.00 H new ATOM 0 HB THR A 24 -5.511 13.492 -9.652 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.194 14.401 -8.329 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.713 15.962 -9.876 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.911 15.296 -8.742 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.467 16.130 -8.121 1.00 0.00 H new ATOM 374 N PRO A 25 -5.084 10.961 -8.160 1.00 0.00 N ATOM 375 CA PRO A 25 -4.370 9.671 -8.311 1.00 0.00 C ATOM 376 C PRO A 25 -3.103 9.806 -9.195 1.00 0.00 C ATOM 377 O PRO A 25 -2.188 8.995 -9.095 1.00 0.00 O ATOM 378 CB PRO A 25 -5.436 8.732 -8.943 1.00 0.00 C ATOM 379 CG PRO A 25 -6.406 9.661 -9.610 1.00 0.00 C ATOM 380 CD PRO A 25 -6.462 10.882 -8.726 1.00 0.00 C ATOM 0 HA PRO A 25 -3.991 9.288 -7.364 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -4.986 8.046 -9.661 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.927 8.122 -8.185 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.075 9.919 -10.616 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -7.389 9.200 -9.706 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.716 11.778 -9.293 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.213 10.777 -7.943 1.00 0.00 H new ATOM 388 N GLU A 26 -3.032 10.889 -10.003 1.00 0.00 N ATOM 389 CA GLU A 26 -1.904 11.148 -10.921 1.00 0.00 C ATOM 390 C GLU A 26 -0.870 12.101 -10.263 1.00 0.00 C ATOM 391 O GLU A 26 0.057 12.570 -10.927 1.00 0.00 O ATOM 392 CB GLU A 26 -2.458 11.738 -12.249 1.00 0.00 C ATOM 393 CG GLU A 26 -3.235 13.063 -12.094 1.00 0.00 C ATOM 394 CD GLU A 26 -3.874 13.562 -13.401 1.00 0.00 C ATOM 395 OE1 GLU A 26 -5.014 13.153 -13.711 1.00 0.00 O ATOM 396 OE2 GLU A 26 -3.239 14.356 -14.131 1.00 0.00 O ATOM 0 H GLU A 26 -3.756 11.607 -10.035 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.386 10.214 -11.139 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.625 11.899 -12.934 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.114 11.001 -12.712 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.016 12.930 -11.346 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.558 13.829 -11.716 1.00 0.00 H new ATOM 403 N SER A 27 -1.033 12.363 -8.944 1.00 0.00 N ATOM 404 CA SER A 27 -0.107 13.207 -8.159 1.00 0.00 C ATOM 405 C SER A 27 1.123 12.395 -7.737 1.00 0.00 C ATOM 406 O SER A 27 0.991 11.251 -7.312 1.00 0.00 O ATOM 407 CB SER A 27 -0.794 13.761 -6.887 1.00 0.00 C ATOM 408 OG SER A 27 -1.812 14.690 -7.207 1.00 0.00 O ATOM 0 H SER A 27 -1.811 11.994 -8.397 1.00 0.00 H new ATOM 0 HA SER A 27 0.193 14.040 -8.794 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.220 12.937 -6.315 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.050 14.240 -6.251 1.00 0.00 H new ATOM 0 HG SER A 27 -1.429 15.591 -7.256 1.00 0.00 H new ATOM 414 N HIS A 28 2.305 13.002 -7.874 1.00 0.00 N ATOM 415 CA HIS A 28 3.559 12.455 -7.353 1.00 0.00 C ATOM 416 C HIS A 28 3.827 13.064 -5.967 1.00 0.00 C ATOM 417 O HIS A 28 3.756 14.280 -5.821 1.00 0.00 O ATOM 418 CB HIS A 28 4.712 12.804 -8.309 1.00 0.00 C ATOM 419 CG HIS A 28 5.993 12.080 -7.997 1.00 0.00 C ATOM 420 ND1 HIS A 28 6.813 12.453 -6.961 1.00 0.00 N ATOM 421 CD2 HIS A 28 6.544 11.037 -8.631 1.00 0.00 C ATOM 422 CE1 HIS A 28 7.835 11.621 -6.993 1.00 0.00 C ATOM 423 NE2 HIS A 28 7.717 10.743 -7.993 1.00 0.00 N ATOM 0 H HIS A 28 2.419 13.895 -8.354 1.00 0.00 H new ATOM 0 HA HIS A 28 3.486 11.371 -7.270 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.411 12.568 -9.330 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.893 13.878 -8.270 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.137 10.523 -9.489 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.662 11.646 -6.299 1.00 0.00 H new ATOM 0 HE2 HIS A 28 8.373 10.000 -8.233 1.00 0.00 H new ATOM 431 N ALA A 29 4.115 12.213 -4.971 1.00 0.00 N ATOM 432 CA ALA A 29 4.416 12.616 -3.580 1.00 0.00 C ATOM 433 C ALA A 29 5.413 13.784 -3.470 1.00 0.00 C ATOM 434 O ALA A 29 5.180 14.730 -2.723 1.00 0.00 O ATOM 435 CB ALA A 29 4.941 11.400 -2.793 1.00 0.00 C ATOM 0 H ALA A 29 4.147 11.203 -5.108 1.00 0.00 H new ATOM 0 HA ALA A 29 3.480 12.977 -3.153 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.163 11.698 -1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.184 10.616 -2.787 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.849 11.025 -3.266 1.00 0.00 H new ATOM 441 N ILE A 30 6.482 13.749 -4.272 1.00 0.00 N ATOM 442 CA ILE A 30 7.629 14.667 -4.116 1.00 0.00 C ATOM 443 C ILE A 30 7.572 15.768 -5.195 1.00 0.00 C ATOM 444 O ILE A 30 7.725 16.958 -4.889 1.00 0.00 O ATOM 445 CB ILE A 30 8.992 13.872 -4.187 1.00 0.00 C ATOM 446 CG1 ILE A 30 9.001 12.711 -3.139 1.00 0.00 C ATOM 447 CG2 ILE A 30 10.220 14.799 -3.984 1.00 0.00 C ATOM 448 CD1 ILE A 30 10.278 11.885 -3.106 1.00 0.00 C ATOM 0 H ILE A 30 6.582 13.090 -5.044 1.00 0.00 H new ATOM 0 HA ILE A 30 7.572 15.141 -3.136 1.00 0.00 H new ATOM 0 HB ILE A 30 9.070 13.448 -5.188 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.834 13.134 -2.149 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.162 12.047 -3.347 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.135 14.209 -4.041 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.232 15.563 -4.762 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.157 15.277 -3.007 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.188 11.106 -2.349 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.440 11.426 -4.081 1.00 0.00 H new ATOM 0 HD13 ILE A 30 11.123 12.530 -2.864 1.00 0.00 H new ATOM 460 N ASP A 31 7.293 15.353 -6.446 1.00 0.00 N ATOM 461 CA ASP A 31 7.342 16.234 -7.638 1.00 0.00 C ATOM 462 C ASP A 31 6.097 17.142 -7.734 1.00 0.00 C ATOM 463 O ASP A 31 6.200 18.294 -8.158 1.00 0.00 O ATOM 464 CB ASP A 31 7.503 15.372 -8.927 1.00 0.00 C ATOM 465 CG ASP A 31 7.606 16.198 -10.227 1.00 0.00 C ATOM 466 OD1 ASP A 31 8.528 17.033 -10.342 1.00 0.00 O ATOM 467 OD2 ASP A 31 6.767 16.018 -11.142 1.00 0.00 O ATOM 0 H ASP A 31 7.026 14.393 -6.663 1.00 0.00 H new ATOM 0 HA ASP A 31 8.207 16.890 -7.538 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.396 14.755 -8.829 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.654 14.694 -9.006 1.00 0.00 H new ATOM 472 N ASP A 32 4.928 16.632 -7.324 1.00 0.00 N ATOM 473 CA ASP A 32 3.654 17.384 -7.413 1.00 0.00 C ATOM 474 C ASP A 32 3.235 17.933 -6.030 1.00 0.00 C ATOM 475 O ASP A 32 3.138 19.150 -5.841 1.00 0.00 O ATOM 476 CB ASP A 32 2.550 16.477 -8.012 1.00 0.00 C ATOM 477 CG ASP A 32 1.154 17.127 -7.993 1.00 0.00 C ATOM 478 OD1 ASP A 32 0.850 17.955 -8.879 1.00 0.00 O ATOM 479 OD2 ASP A 32 0.358 16.819 -7.087 1.00 0.00 O ATOM 0 H ASP A 32 4.831 15.698 -6.925 1.00 0.00 H new ATOM 0 HA ASP A 32 3.798 18.240 -8.072 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.813 16.226 -9.040 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.516 15.541 -7.454 1.00 0.00 H new ATOM 484 N LEU A 33 3.001 17.016 -5.068 1.00 0.00 N ATOM 485 CA LEU A 33 2.488 17.352 -3.717 1.00 0.00 C ATOM 486 C LEU A 33 3.504 18.189 -2.908 1.00 0.00 C ATOM 487 O LEU A 33 3.125 18.869 -1.946 1.00 0.00 O ATOM 488 CB LEU A 33 2.152 16.053 -2.935 1.00 0.00 C ATOM 489 CG LEU A 33 1.069 15.108 -3.546 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.878 13.844 -2.676 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.265 15.853 -3.754 1.00 0.00 C ATOM 0 H LEU A 33 3.162 16.018 -5.204 1.00 0.00 H new ATOM 0 HA LEU A 33 1.586 17.949 -3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.073 15.481 -2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.826 16.337 -1.934 1.00 0.00 H new ATOM 0 HG LEU A 33 1.422 14.784 -4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.118 13.204 -3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.820 13.299 -2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.561 14.136 -1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.000 15.171 -4.180 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.628 16.224 -2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.111 16.691 -4.433 1.00 0.00 H new ATOM 503 N GLY A 34 4.793 18.127 -3.317 1.00 0.00 N ATOM 504 CA GLY A 34 5.877 18.833 -2.627 1.00 0.00 C ATOM 505 C GLY A 34 6.133 18.314 -1.222 1.00 0.00 C ATOM 506 O GLY A 34 6.373 19.086 -0.291 1.00 0.00 O ATOM 0 H GLY A 34 5.100 17.589 -4.128 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.792 18.742 -3.213 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.636 19.895 -2.576 1.00 0.00 H new ATOM 510 N ILE A 35 6.058 16.992 -1.086 1.00 0.00 N ATOM 511 CA ILE A 35 6.290 16.274 0.171 1.00 0.00 C ATOM 512 C ILE A 35 7.623 15.537 0.046 1.00 0.00 C ATOM 513 O ILE A 35 7.824 14.822 -0.934 1.00 0.00 O ATOM 514 CB ILE A 35 5.134 15.237 0.435 1.00 0.00 C ATOM 515 CG1 ILE A 35 3.754 15.959 0.524 1.00 0.00 C ATOM 516 CG2 ILE A 35 5.398 14.384 1.696 1.00 0.00 C ATOM 517 CD1 ILE A 35 2.566 15.017 0.612 1.00 0.00 C ATOM 0 H ILE A 35 5.829 16.373 -1.864 1.00 0.00 H new ATOM 0 HA ILE A 35 6.311 16.977 1.004 1.00 0.00 H new ATOM 0 HB ILE A 35 5.110 14.553 -0.413 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.753 16.611 1.398 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.633 16.598 -0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.576 13.683 1.840 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.329 13.831 1.573 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.475 15.036 2.566 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.645 15.597 0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.539 14.382 -0.273 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.660 14.395 1.502 1.00 0.00 H new ATOM 529 N ASP A 36 8.536 15.717 1.009 1.00 0.00 N ATOM 530 CA ASP A 36 9.810 14.978 1.010 1.00 0.00 C ATOM 531 C ASP A 36 9.577 13.539 1.463 1.00 0.00 C ATOM 532 O ASP A 36 8.594 13.240 2.147 1.00 0.00 O ATOM 533 CB ASP A 36 10.888 15.654 1.908 1.00 0.00 C ATOM 534 CG ASP A 36 11.543 16.902 1.281 1.00 0.00 C ATOM 535 OD1 ASP A 36 11.823 16.895 0.065 1.00 0.00 O ATOM 536 OD2 ASP A 36 11.829 17.872 2.014 1.00 0.00 O ATOM 0 H ASP A 36 8.421 16.361 1.791 1.00 0.00 H new ATOM 0 HA ASP A 36 10.191 14.986 -0.011 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.430 15.936 2.856 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.666 14.924 2.134 1.00 0.00 H new ATOM 541 N SER A 37 10.517 12.664 1.079 1.00 0.00 N ATOM 542 CA SER A 37 10.535 11.251 1.473 1.00 0.00 C ATOM 543 C SER A 37 10.552 11.092 3.013 1.00 0.00 C ATOM 544 O SER A 37 10.069 10.092 3.528 1.00 0.00 O ATOM 545 CB SER A 37 11.757 10.570 0.826 1.00 0.00 C ATOM 546 OG SER A 37 12.919 11.369 1.045 1.00 0.00 O ATOM 0 H SER A 37 11.298 12.924 0.476 1.00 0.00 H new ATOM 0 HA SER A 37 9.623 10.769 1.120 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.900 9.577 1.251 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.590 10.438 -0.243 1.00 0.00 H new ATOM 551 N LEU A 38 11.083 12.113 3.719 1.00 0.00 N ATOM 552 CA LEU A 38 11.106 12.174 5.201 1.00 0.00 C ATOM 553 C LEU A 38 9.673 12.220 5.778 1.00 0.00 C ATOM 554 O LEU A 38 9.360 11.518 6.746 1.00 0.00 O ATOM 555 CB LEU A 38 11.915 13.411 5.699 1.00 0.00 C ATOM 556 CG LEU A 38 13.466 13.376 5.502 1.00 0.00 C ATOM 557 CD1 LEU A 38 14.083 12.127 6.156 1.00 0.00 C ATOM 558 CD2 LEU A 38 13.863 13.497 4.017 1.00 0.00 C ATOM 0 H LEU A 38 11.512 12.925 3.276 1.00 0.00 H new ATOM 0 HA LEU A 38 11.597 11.268 5.556 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.529 14.294 5.190 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.712 13.542 6.762 1.00 0.00 H new ATOM 0 HG LEU A 38 13.876 14.250 6.009 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.162 12.131 6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 38 13.869 12.133 7.225 1.00 0.00 H new ATOM 0 HD13 LEU A 38 13.656 11.231 5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.949 13.468 3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.430 12.669 3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.491 14.440 3.617 1.00 0.00 H new ATOM 570 N ASP A 39 8.822 13.060 5.170 1.00 0.00 N ATOM 571 CA ASP A 39 7.399 13.195 5.549 1.00 0.00 C ATOM 572 C ASP A 39 6.608 11.977 5.046 1.00 0.00 C ATOM 573 O ASP A 39 5.666 11.515 5.697 1.00 0.00 O ATOM 574 CB ASP A 39 6.806 14.491 4.941 1.00 0.00 C ATOM 575 CG ASP A 39 7.604 15.758 5.289 1.00 0.00 C ATOM 576 OD1 ASP A 39 8.568 16.096 4.553 1.00 0.00 O ATOM 577 OD2 ASP A 39 7.289 16.417 6.299 1.00 0.00 O ATOM 0 H ASP A 39 9.098 13.668 4.399 1.00 0.00 H new ATOM 0 HA ASP A 39 7.327 13.248 6.635 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.762 14.386 3.857 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.781 14.610 5.291 1.00 0.00 H new ATOM 582 N PHE A 40 7.056 11.449 3.892 1.00 0.00 N ATOM 583 CA PHE A 40 6.429 10.314 3.206 1.00 0.00 C ATOM 584 C PHE A 40 6.661 9.004 4.004 1.00 0.00 C ATOM 585 O PHE A 40 5.925 8.034 3.819 1.00 0.00 O ATOM 586 CB PHE A 40 6.989 10.218 1.759 1.00 0.00 C ATOM 587 CG PHE A 40 6.242 9.265 0.835 1.00 0.00 C ATOM 588 CD1 PHE A 40 4.914 9.511 0.491 1.00 0.00 C ATOM 589 CD2 PHE A 40 6.863 8.137 0.295 1.00 0.00 C ATOM 590 CE1 PHE A 40 4.235 8.663 -0.357 1.00 0.00 C ATOM 591 CE2 PHE A 40 6.179 7.288 -0.552 1.00 0.00 C ATOM 592 CZ PHE A 40 4.867 7.554 -0.879 1.00 0.00 C ATOM 0 H PHE A 40 7.878 11.808 3.406 1.00 0.00 H new ATOM 0 HA PHE A 40 5.351 10.466 3.147 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.976 11.213 1.315 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.032 9.905 1.810 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.411 10.377 0.894 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.893 7.926 0.543 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.206 8.867 -0.613 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.671 6.417 -0.958 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.333 6.893 -1.545 1.00 0.00 H new ATOM 602 N LEU A 41 7.697 9.000 4.888 1.00 0.00 N ATOM 603 CA LEU A 41 7.915 7.918 5.876 1.00 0.00 C ATOM 604 C LEU A 41 6.675 7.796 6.788 1.00 0.00 C ATOM 605 O LEU A 41 6.088 6.725 6.915 1.00 0.00 O ATOM 606 CB LEU A 41 9.167 8.203 6.758 1.00 0.00 C ATOM 607 CG LEU A 41 10.541 8.312 6.029 1.00 0.00 C ATOM 608 CD1 LEU A 41 11.669 8.696 7.014 1.00 0.00 C ATOM 609 CD2 LEU A 41 10.877 7.017 5.257 1.00 0.00 C ATOM 0 H LEU A 41 8.396 9.742 4.932 1.00 0.00 H new ATOM 0 HA LEU A 41 8.078 6.989 5.330 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.996 9.135 7.297 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.242 7.412 7.504 1.00 0.00 H new ATOM 0 HG LEU A 41 10.461 9.113 5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.614 8.764 6.476 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.441 9.659 7.471 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.748 7.936 7.791 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.841 7.129 4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.922 6.180 5.953 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.105 6.828 4.511 1.00 0.00 H new ATOM 621 N ASP A 42 6.268 8.945 7.369 1.00 0.00 N ATOM 622 CA ASP A 42 5.146 9.019 8.333 1.00 0.00 C ATOM 623 C ASP A 42 3.802 8.776 7.627 1.00 0.00 C ATOM 624 O ASP A 42 2.883 8.192 8.214 1.00 0.00 O ATOM 625 CB ASP A 42 5.149 10.384 9.075 1.00 0.00 C ATOM 626 CG ASP A 42 4.209 10.403 10.296 1.00 0.00 C ATOM 627 OD1 ASP A 42 4.559 9.790 11.327 1.00 0.00 O ATOM 628 OD2 ASP A 42 3.121 11.002 10.229 1.00 0.00 O ATOM 0 H ASP A 42 6.707 9.847 7.184 1.00 0.00 H new ATOM 0 HA ASP A 42 5.281 8.232 9.075 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.164 10.613 9.400 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.851 11.170 8.381 1.00 0.00 H new ATOM 633 N ILE A 43 3.705 9.223 6.355 1.00 0.00 N ATOM 634 CA ILE A 43 2.552 8.919 5.482 1.00 0.00 C ATOM 635 C ILE A 43 2.416 7.398 5.310 1.00 0.00 C ATOM 636 O ILE A 43 1.324 6.843 5.472 1.00 0.00 O ATOM 637 CB ILE A 43 2.680 9.609 4.067 1.00 0.00 C ATOM 638 CG1 ILE A 43 2.688 11.167 4.212 1.00 0.00 C ATOM 639 CG2 ILE A 43 1.567 9.141 3.090 1.00 0.00 C ATOM 640 CD1 ILE A 43 2.798 11.936 2.901 1.00 0.00 C ATOM 0 H ILE A 43 4.418 9.800 5.909 1.00 0.00 H new ATOM 0 HA ILE A 43 1.660 9.320 5.963 1.00 0.00 H new ATOM 0 HB ILE A 43 3.632 9.300 3.635 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.774 11.474 4.720 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.521 11.453 4.854 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.693 9.640 2.129 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.636 8.062 2.950 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.590 9.392 3.504 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.795 13.007 3.106 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.726 11.665 2.397 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.952 11.687 2.261 1.00 0.00 H new ATOM 652 N ALA A 44 3.556 6.725 5.053 1.00 0.00 N ATOM 653 CA ALA A 44 3.595 5.282 4.779 1.00 0.00 C ATOM 654 C ALA A 44 3.248 4.479 6.045 1.00 0.00 C ATOM 655 O ALA A 44 2.544 3.496 5.964 1.00 0.00 O ATOM 656 CB ALA A 44 4.973 4.873 4.233 1.00 0.00 C ATOM 0 H ALA A 44 4.473 7.171 5.031 1.00 0.00 H new ATOM 0 HA ALA A 44 2.847 5.056 4.019 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.983 3.801 4.036 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.173 5.414 3.308 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.742 5.114 4.967 1.00 0.00 H new ATOM 662 N PHE A 45 3.716 4.964 7.216 1.00 0.00 N ATOM 663 CA PHE A 45 3.460 4.335 8.537 1.00 0.00 C ATOM 664 C PHE A 45 1.967 4.401 8.897 1.00 0.00 C ATOM 665 O PHE A 45 1.417 3.454 9.464 1.00 0.00 O ATOM 666 CB PHE A 45 4.320 5.015 9.649 1.00 0.00 C ATOM 667 CG PHE A 45 5.703 4.396 9.846 1.00 0.00 C ATOM 668 CD1 PHE A 45 6.623 4.340 8.799 1.00 0.00 C ATOM 669 CD2 PHE A 45 6.076 3.864 11.080 1.00 0.00 C ATOM 670 CE1 PHE A 45 7.873 3.782 8.981 1.00 0.00 C ATOM 671 CE2 PHE A 45 7.326 3.307 11.262 1.00 0.00 C ATOM 672 CZ PHE A 45 8.222 3.263 10.213 1.00 0.00 C ATOM 0 H PHE A 45 4.286 5.808 7.275 1.00 0.00 H new ATOM 0 HA PHE A 45 3.749 3.286 8.471 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.440 6.070 9.404 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.776 4.966 10.592 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.354 4.739 7.832 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.378 3.888 11.904 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.576 3.751 8.162 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.603 2.906 12.226 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.198 2.822 10.355 1.00 0.00 H new ATOM 682 N ALA A 46 1.325 5.528 8.546 1.00 0.00 N ATOM 683 CA ALA A 46 -0.121 5.735 8.768 1.00 0.00 C ATOM 684 C ALA A 46 -0.943 4.788 7.876 1.00 0.00 C ATOM 685 O ALA A 46 -1.992 4.279 8.290 1.00 0.00 O ATOM 686 CB ALA A 46 -0.485 7.197 8.499 1.00 0.00 C ATOM 0 H ALA A 46 1.789 6.320 8.102 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.358 5.506 9.807 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.552 7.343 8.665 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.078 7.842 9.173 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.240 7.449 7.467 1.00 0.00 H new ATOM 692 N ILE A 47 -0.433 4.566 6.656 1.00 0.00 N ATOM 693 CA ILE A 47 -0.981 3.591 5.696 1.00 0.00 C ATOM 694 C ILE A 47 -0.830 2.153 6.236 1.00 0.00 C ATOM 695 O ILE A 47 -1.769 1.356 6.175 1.00 0.00 O ATOM 696 CB ILE A 47 -0.250 3.737 4.308 1.00 0.00 C ATOM 697 CG1 ILE A 47 -0.621 5.093 3.623 1.00 0.00 C ATOM 698 CG2 ILE A 47 -0.530 2.542 3.374 1.00 0.00 C ATOM 699 CD1 ILE A 47 0.194 5.432 2.377 1.00 0.00 C ATOM 0 H ILE A 47 0.383 5.065 6.301 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.043 3.793 5.559 1.00 0.00 H new ATOM 0 HB ILE A 47 0.822 3.737 4.505 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.677 5.069 3.353 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.496 5.896 4.350 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.005 2.687 2.430 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.182 1.623 3.845 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.601 2.470 3.186 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.137 6.390 1.975 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.250 5.494 2.639 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.051 4.655 1.626 1.00 0.00 H new ATOM 711 N ASP A 48 0.362 1.852 6.779 1.00 0.00 N ATOM 712 CA ASP A 48 0.707 0.517 7.311 1.00 0.00 C ATOM 713 C ASP A 48 -0.291 0.091 8.388 1.00 0.00 C ATOM 714 O ASP A 48 -0.900 -0.979 8.296 1.00 0.00 O ATOM 715 CB ASP A 48 2.165 0.495 7.879 1.00 0.00 C ATOM 716 CG ASP A 48 3.271 0.713 6.830 1.00 0.00 C ATOM 717 OD1 ASP A 48 2.980 0.661 5.617 1.00 0.00 O ATOM 718 OD2 ASP A 48 4.439 0.930 7.222 1.00 0.00 O ATOM 0 H ASP A 48 1.119 2.530 6.863 1.00 0.00 H new ATOM 0 HA ASP A 48 0.654 -0.194 6.487 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.253 1.266 8.645 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.334 -0.463 8.370 1.00 0.00 H new ATOM 723 N LYS A 49 -0.487 0.985 9.361 1.00 0.00 N ATOM 724 CA LYS A 49 -1.405 0.780 10.493 1.00 0.00 C ATOM 725 C LYS A 49 -2.860 0.616 10.010 1.00 0.00 C ATOM 726 O LYS A 49 -3.544 -0.334 10.402 1.00 0.00 O ATOM 727 CB LYS A 49 -1.291 1.978 11.468 1.00 0.00 C ATOM 728 CG LYS A 49 0.116 2.175 12.080 1.00 0.00 C ATOM 729 CD LYS A 49 0.206 3.426 12.976 1.00 0.00 C ATOM 730 CE LYS A 49 -0.763 3.360 14.170 1.00 0.00 C ATOM 731 NZ LYS A 49 -0.763 4.609 14.959 1.00 0.00 N ATOM 0 H LYS A 49 -0.008 1.885 9.388 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.124 -0.138 11.009 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.574 2.888 10.940 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.009 1.842 12.276 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.379 1.294 12.666 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.849 2.255 11.277 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.226 3.534 13.344 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.013 4.313 12.381 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.771 3.162 13.807 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.487 2.525 14.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.430 4.519 15.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.193 4.786 15.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.052 5.403 14.352 1.00 0.00 H new ATOM 745 N ALA A 50 -3.300 1.546 9.140 1.00 0.00 N ATOM 746 CA ALA A 50 -4.688 1.600 8.628 1.00 0.00 C ATOM 747 C ALA A 50 -5.093 0.304 7.893 1.00 0.00 C ATOM 748 O ALA A 50 -6.137 -0.286 8.179 1.00 0.00 O ATOM 749 CB ALA A 50 -4.859 2.822 7.697 1.00 0.00 C ATOM 0 H ALA A 50 -2.702 2.285 8.770 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.351 1.700 9.488 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.883 2.855 7.324 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.645 3.735 8.252 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.170 2.739 6.857 1.00 0.00 H new ATOM 755 N PHE A 51 -4.255 -0.119 6.939 1.00 0.00 N ATOM 756 CA PHE A 51 -4.522 -1.292 6.076 1.00 0.00 C ATOM 757 C PHE A 51 -4.042 -2.617 6.715 1.00 0.00 C ATOM 758 O PHE A 51 -4.344 -3.701 6.193 1.00 0.00 O ATOM 759 CB PHE A 51 -3.842 -1.091 4.697 1.00 0.00 C ATOM 760 CG PHE A 51 -4.414 0.053 3.858 1.00 0.00 C ATOM 761 CD1 PHE A 51 -4.014 1.371 4.059 1.00 0.00 C ATOM 762 CD2 PHE A 51 -5.343 -0.198 2.850 1.00 0.00 C ATOM 763 CE1 PHE A 51 -4.513 2.396 3.284 1.00 0.00 C ATOM 764 CE2 PHE A 51 -5.841 0.827 2.076 1.00 0.00 C ATOM 765 CZ PHE A 51 -5.425 2.121 2.294 1.00 0.00 C ATOM 0 H PHE A 51 -3.367 0.340 6.738 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.602 -1.368 5.952 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.779 -0.910 4.855 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.926 -2.017 4.128 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.299 1.595 4.837 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.677 -1.210 2.673 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.188 3.412 3.454 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.559 0.615 1.297 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.817 2.922 1.685 1.00 0.00 H new ATOM 775 N GLY A 52 -3.294 -2.528 7.836 1.00 0.00 N ATOM 776 CA GLY A 52 -2.750 -3.713 8.522 1.00 0.00 C ATOM 777 C GLY A 52 -1.532 -4.320 7.825 1.00 0.00 C ATOM 778 O GLY A 52 -1.082 -5.414 8.193 1.00 0.00 O ATOM 0 H GLY A 52 -3.054 -1.643 8.284 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.476 -3.438 9.541 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.531 -4.470 8.595 1.00 0.00 H new ATOM 782 N ILE A 53 -0.982 -3.594 6.830 1.00 0.00 N ATOM 783 CA ILE A 53 0.144 -4.055 5.994 1.00 0.00 C ATOM 784 C ILE A 53 1.433 -3.342 6.433 1.00 0.00 C ATOM 785 O ILE A 53 1.450 -2.667 7.464 1.00 0.00 O ATOM 786 CB ILE A 53 -0.178 -3.825 4.444 1.00 0.00 C ATOM 787 CG1 ILE A 53 -0.547 -2.319 4.094 1.00 0.00 C ATOM 788 CG2 ILE A 53 -1.315 -4.785 3.999 1.00 0.00 C ATOM 789 CD1 ILE A 53 0.617 -1.377 3.832 1.00 0.00 C ATOM 0 H ILE A 53 -1.311 -2.661 6.582 1.00 0.00 H new ATOM 0 HA ILE A 53 0.290 -5.127 6.130 1.00 0.00 H new ATOM 0 HB ILE A 53 0.735 -4.047 3.891 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.189 -2.321 3.213 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.136 -1.913 4.916 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.533 -4.626 2.943 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.001 -5.817 4.154 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.210 -4.586 4.588 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.235 -0.382 3.605 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.252 -1.329 4.716 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.199 -1.744 2.987 1.00 0.00 H new ATOM 801 N LYS A 54 2.522 -3.556 5.694 1.00 0.00 N ATOM 802 CA LYS A 54 3.760 -2.784 5.845 1.00 0.00 C ATOM 803 C LYS A 54 4.341 -2.581 4.436 1.00 0.00 C ATOM 804 O LYS A 54 4.618 -3.560 3.739 1.00 0.00 O ATOM 805 CB LYS A 54 4.760 -3.504 6.823 1.00 0.00 C ATOM 806 CG LYS A 54 5.769 -2.562 7.553 1.00 0.00 C ATOM 807 CD LYS A 54 6.819 -1.927 6.608 1.00 0.00 C ATOM 808 CE LYS A 54 7.680 -0.848 7.283 1.00 0.00 C ATOM 809 NZ LYS A 54 8.521 -1.390 8.376 1.00 0.00 N ATOM 0 H LYS A 54 2.572 -4.273 4.970 1.00 0.00 H new ATOM 0 HA LYS A 54 3.567 -1.812 6.299 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.183 -4.044 7.574 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.324 -4.247 6.259 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.215 -1.768 8.053 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.285 -3.128 8.329 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.470 -2.711 6.223 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.307 -1.488 5.752 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.320 -0.379 6.536 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.031 -0.068 7.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.081 -0.621 8.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.912 -1.814 9.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.161 -2.116 7.994 1.00 0.00 H new ATOM 823 N LEU A 55 4.484 -1.316 4.019 1.00 0.00 N ATOM 824 CA LEU A 55 5.109 -0.942 2.746 1.00 0.00 C ATOM 825 C LEU A 55 6.626 -1.123 2.857 1.00 0.00 C ATOM 826 O LEU A 55 7.222 -0.565 3.783 1.00 0.00 O ATOM 827 CB LEU A 55 4.778 0.539 2.390 1.00 0.00 C ATOM 828 CG LEU A 55 3.271 0.857 2.131 1.00 0.00 C ATOM 829 CD1 LEU A 55 3.048 2.362 1.828 1.00 0.00 C ATOM 830 CD2 LEU A 55 2.705 -0.034 0.998 1.00 0.00 C ATOM 0 H LEU A 55 4.165 -0.515 4.564 1.00 0.00 H new ATOM 0 HA LEU A 55 4.718 -1.583 1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.129 1.175 3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.346 0.815 1.501 1.00 0.00 H new ATOM 0 HG LEU A 55 2.724 0.627 3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.988 2.545 1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.384 2.958 2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.616 2.643 0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.654 0.206 0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.264 0.146 0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.798 -1.083 1.279 1.00 0.00 H new ATOM 842 N PRO A 56 7.271 -1.941 1.958 1.00 0.00 N ATOM 843 CA PRO A 56 8.745 -2.014 1.842 1.00 0.00 C ATOM 844 C PRO A 56 9.332 -0.690 1.309 1.00 0.00 C ATOM 845 O PRO A 56 9.992 -0.666 0.273 1.00 0.00 O ATOM 846 CB PRO A 56 8.988 -3.201 0.856 1.00 0.00 C ATOM 847 CG PRO A 56 7.689 -3.939 0.811 1.00 0.00 C ATOM 848 CD PRO A 56 6.617 -2.901 1.038 1.00 0.00 C ATOM 0 HA PRO A 56 9.236 -2.172 2.802 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.272 -2.841 -0.133 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.796 -3.845 1.205 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.555 -4.436 -0.150 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.652 -4.713 1.578 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.314 -2.424 0.106 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.721 -3.337 1.480 1.00 0.00 H new ATOM 856 N LEU A 57 9.125 0.392 2.081 1.00 0.00 N ATOM 857 CA LEU A 57 9.369 1.776 1.656 1.00 0.00 C ATOM 858 C LEU A 57 10.872 1.992 1.441 1.00 0.00 C ATOM 859 O LEU A 57 11.279 2.487 0.392 1.00 0.00 O ATOM 860 CB LEU A 57 8.781 2.754 2.739 1.00 0.00 C ATOM 861 CG LEU A 57 8.551 4.260 2.348 1.00 0.00 C ATOM 862 CD1 LEU A 57 9.860 5.070 2.231 1.00 0.00 C ATOM 863 CD2 LEU A 57 7.709 4.361 1.061 1.00 0.00 C ATOM 0 H LEU A 57 8.776 0.324 3.037 1.00 0.00 H new ATOM 0 HA LEU A 57 8.871 1.980 0.708 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.824 2.348 3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.449 2.734 3.600 1.00 0.00 H new ATOM 0 HG LEU A 57 7.996 4.715 3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.628 6.100 1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.383 5.057 3.187 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.495 4.626 1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.560 5.410 0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.230 3.859 0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.741 3.885 1.221 1.00 0.00 H new ATOM 875 N GLU A 58 11.675 1.562 2.435 1.00 0.00 N ATOM 876 CA GLU A 58 13.144 1.716 2.425 1.00 0.00 C ATOM 877 C GLU A 58 13.755 0.969 1.229 1.00 0.00 C ATOM 878 O GLU A 58 14.593 1.523 0.513 1.00 0.00 O ATOM 879 CB GLU A 58 13.753 1.190 3.750 1.00 0.00 C ATOM 880 CG GLU A 58 13.240 1.887 5.021 1.00 0.00 C ATOM 881 CD GLU A 58 13.842 1.279 6.300 1.00 0.00 C ATOM 882 OE1 GLU A 58 13.431 0.162 6.677 1.00 0.00 O ATOM 883 OE2 GLU A 58 14.745 1.891 6.913 1.00 0.00 O ATOM 0 H GLU A 58 11.321 1.096 3.271 1.00 0.00 H new ATOM 0 HA GLU A 58 13.377 2.777 2.330 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.545 0.123 3.830 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.836 1.302 3.704 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.484 2.948 4.975 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.153 1.812 5.061 1.00 0.00 H new ATOM 890 N LYS A 59 13.282 -0.274 1.006 1.00 0.00 N ATOM 891 CA LYS A 59 13.752 -1.127 -0.099 1.00 0.00 C ATOM 892 C LYS A 59 13.460 -0.459 -1.450 1.00 0.00 C ATOM 893 O LYS A 59 14.357 -0.326 -2.281 1.00 0.00 O ATOM 894 CB LYS A 59 13.088 -2.525 -0.058 1.00 0.00 C ATOM 895 CG LYS A 59 13.600 -3.508 -1.146 1.00 0.00 C ATOM 896 CD LYS A 59 12.835 -4.854 -1.155 1.00 0.00 C ATOM 897 CE LYS A 59 11.343 -4.699 -1.515 1.00 0.00 C ATOM 898 NZ LYS A 59 11.150 -4.109 -2.859 1.00 0.00 N ATOM 0 H LYS A 59 12.566 -0.711 1.586 1.00 0.00 H new ATOM 0 HA LYS A 59 14.828 -1.255 0.020 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.259 -2.967 0.924 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.010 -2.406 -0.171 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.508 -3.038 -2.125 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.661 -3.700 -0.984 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.307 -5.529 -1.869 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.919 -5.320 -0.173 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.858 -5.674 -1.475 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.855 -4.070 -0.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.479 -3.317 -2.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.062 -3.763 -3.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.774 -4.832 -3.505 1.00 0.00 H new ATOM 912 N TRP A 60 12.192 -0.009 -1.624 1.00 0.00 N ATOM 913 CA TRP A 60 11.741 0.712 -2.833 1.00 0.00 C ATOM 914 C TRP A 60 12.606 1.952 -3.068 1.00 0.00 C ATOM 915 O TRP A 60 12.998 2.218 -4.192 1.00 0.00 O ATOM 916 CB TRP A 60 10.256 1.146 -2.720 1.00 0.00 C ATOM 917 CG TRP A 60 9.243 0.028 -2.685 1.00 0.00 C ATOM 918 CD1 TRP A 60 9.405 -1.279 -3.071 1.00 0.00 C ATOM 919 CD2 TRP A 60 7.884 0.151 -2.251 1.00 0.00 C ATOM 920 NE1 TRP A 60 8.231 -1.965 -2.893 1.00 0.00 N ATOM 921 CE2 TRP A 60 7.287 -1.109 -2.401 1.00 0.00 C ATOM 922 CE3 TRP A 60 7.121 1.213 -1.752 1.00 0.00 C ATOM 923 CZ2 TRP A 60 5.960 -1.337 -2.077 1.00 0.00 C ATOM 924 CZ3 TRP A 60 5.805 0.981 -1.424 1.00 0.00 C ATOM 925 CH2 TRP A 60 5.237 -0.288 -1.586 1.00 0.00 C ATOM 0 H TRP A 60 11.457 -0.137 -0.929 1.00 0.00 H new ATOM 0 HA TRP A 60 11.840 0.025 -3.674 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.140 1.744 -1.816 1.00 0.00 H new ATOM 0 HB3 TRP A 60 10.022 1.796 -3.564 1.00 0.00 H new ATOM 0 HD1 TRP A 60 10.320 -1.704 -3.457 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.086 -2.954 -3.095 1.00 0.00 H new ATOM 0 HE3 TRP A 60 7.556 2.194 -1.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 5.512 -2.311 -2.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 5.202 1.789 -1.036 1.00 0.00 H new ATOM 0 HH2 TRP A 60 4.202 -0.441 -1.316 1.00 0.00 H new ATOM 936 N THR A 61 12.929 2.664 -1.971 1.00 0.00 N ATOM 937 CA THR A 61 13.743 3.887 -2.010 1.00 0.00 C ATOM 938 C THR A 61 15.175 3.565 -2.494 1.00 0.00 C ATOM 939 O THR A 61 15.751 4.343 -3.252 1.00 0.00 O ATOM 940 CB THR A 61 13.766 4.601 -0.608 1.00 0.00 C ATOM 941 OG1 THR A 61 12.423 4.918 -0.206 1.00 0.00 O ATOM 942 CG2 THR A 61 14.605 5.895 -0.599 1.00 0.00 C ATOM 0 H THR A 61 12.630 2.403 -1.031 1.00 0.00 H new ATOM 0 HA THR A 61 13.288 4.577 -2.721 1.00 0.00 H new ATOM 0 HB THR A 61 14.232 3.904 0.089 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.923 4.089 -0.053 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.580 6.338 0.397 1.00 0.00 H new ATOM 0 HG22 THR A 61 15.636 5.662 -0.867 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.193 6.601 -1.321 1.00 0.00 H new ATOM 950 N GLN A 62 15.714 2.375 -2.128 1.00 0.00 N ATOM 951 CA GLN A 62 17.082 1.972 -2.514 1.00 0.00 C ATOM 952 C GLN A 62 17.120 1.602 -3.998 1.00 0.00 C ATOM 953 O GLN A 62 18.058 1.953 -4.702 1.00 0.00 O ATOM 954 CB GLN A 62 17.590 0.761 -1.681 1.00 0.00 C ATOM 955 CG GLN A 62 17.631 0.971 -0.158 1.00 0.00 C ATOM 956 CD GLN A 62 18.196 2.333 0.251 1.00 0.00 C ATOM 957 OE1 GLN A 62 19.404 2.507 0.377 1.00 0.00 O ATOM 958 NE2 GLN A 62 17.316 3.297 0.472 1.00 0.00 N ATOM 0 H GLN A 62 15.220 1.681 -1.567 1.00 0.00 H new ATOM 0 HA GLN A 62 17.735 2.822 -2.317 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.952 -0.097 -1.894 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.593 0.504 -2.021 1.00 0.00 H new ATOM 0 HG2 GLN A 62 16.623 0.869 0.243 1.00 0.00 H new ATOM 0 HG3 GLN A 62 18.235 0.184 0.294 1.00 0.00 H new ATOM 0 HE21 GLN A 62 16.319 3.114 0.357 1.00 0.00 H new ATOM 0 HE22 GLN A 62 17.635 4.223 0.758 1.00 0.00 H new ATOM 967 N GLU A 63 16.070 0.891 -4.443 1.00 0.00 N ATOM 968 CA GLU A 63 15.915 0.423 -5.834 1.00 0.00 C ATOM 969 C GLU A 63 15.727 1.613 -6.787 1.00 0.00 C ATOM 970 O GLU A 63 16.301 1.641 -7.873 1.00 0.00 O ATOM 971 CB GLU A 63 14.717 -0.556 -5.916 1.00 0.00 C ATOM 972 CG GLU A 63 14.884 -1.804 -5.027 1.00 0.00 C ATOM 973 CD GLU A 63 13.635 -2.692 -4.977 1.00 0.00 C ATOM 974 OE1 GLU A 63 12.614 -2.266 -4.388 1.00 0.00 O ATOM 975 OE2 GLU A 63 13.658 -3.813 -5.527 1.00 0.00 O ATOM 0 H GLU A 63 15.293 0.621 -3.839 1.00 0.00 H new ATOM 0 HA GLU A 63 16.819 -0.103 -6.142 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.807 -0.031 -5.625 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.585 -0.871 -6.951 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.724 -2.393 -5.395 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.136 -1.488 -4.015 1.00 0.00 H new ATOM 982 N VAL A 64 14.940 2.605 -6.344 1.00 0.00 N ATOM 983 CA VAL A 64 14.755 3.870 -7.076 1.00 0.00 C ATOM 984 C VAL A 64 16.111 4.605 -7.202 1.00 0.00 C ATOM 985 O VAL A 64 16.503 5.025 -8.294 1.00 0.00 O ATOM 986 CB VAL A 64 13.666 4.787 -6.390 1.00 0.00 C ATOM 987 CG1 VAL A 64 13.656 6.216 -6.989 1.00 0.00 C ATOM 988 CG2 VAL A 64 12.252 4.154 -6.500 1.00 0.00 C ATOM 0 H VAL A 64 14.415 2.555 -5.471 1.00 0.00 H new ATOM 0 HA VAL A 64 14.387 3.639 -8.076 1.00 0.00 H new ATOM 0 HB VAL A 64 13.935 4.865 -5.337 1.00 0.00 H new ATOM 0 HG11 VAL A 64 12.894 6.814 -6.490 1.00 0.00 H new ATOM 0 HG12 VAL A 64 14.632 6.678 -6.844 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.435 6.162 -8.055 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.523 4.806 -6.020 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.990 4.029 -7.551 1.00 0.00 H new ATOM 0 HG23 VAL A 64 12.249 3.182 -6.007 1.00 0.00 H new ATOM 998 N ASN A 65 16.832 4.709 -6.072 1.00 0.00 N ATOM 999 CA ASN A 65 18.158 5.359 -6.017 1.00 0.00 C ATOM 1000 C ASN A 65 19.256 4.552 -6.746 1.00 0.00 C ATOM 1001 O ASN A 65 20.282 5.123 -7.129 1.00 0.00 O ATOM 1002 CB ASN A 65 18.575 5.619 -4.542 1.00 0.00 C ATOM 1003 CG ASN A 65 17.672 6.629 -3.823 1.00 0.00 C ATOM 1004 OD1 ASN A 65 17.107 7.533 -4.440 1.00 0.00 O ATOM 1005 ND2 ASN A 65 17.542 6.491 -2.514 1.00 0.00 N ATOM 0 H ASN A 65 16.515 4.347 -5.173 1.00 0.00 H new ATOM 0 HA ASN A 65 18.061 6.309 -6.543 1.00 0.00 H new ATOM 0 HB2 ASN A 65 18.559 4.676 -3.996 1.00 0.00 H new ATOM 0 HB3 ASN A 65 19.602 5.982 -4.521 1.00 0.00 H new ATOM 0 HD21 ASN A 65 16.961 7.144 -1.988 1.00 0.00 H new ATOM 0 HD22 ASN A 65 18.023 5.732 -2.031 1.00 0.00 H new ATOM 1012 N ASP A 66 19.054 3.232 -6.929 1.00 0.00 N ATOM 1013 CA ASP A 66 20.052 2.340 -7.575 1.00 0.00 C ATOM 1014 C ASP A 66 19.860 2.287 -9.108 1.00 0.00 C ATOM 1015 O ASP A 66 20.716 1.759 -9.830 1.00 0.00 O ATOM 1016 CB ASP A 66 19.947 0.908 -6.970 1.00 0.00 C ATOM 1017 CG ASP A 66 21.129 -0.008 -7.345 1.00 0.00 C ATOM 1018 OD1 ASP A 66 22.190 0.088 -6.700 1.00 0.00 O ATOM 1019 OD2 ASP A 66 21.011 -0.822 -8.287 1.00 0.00 O ATOM 0 H ASP A 66 18.203 2.752 -6.637 1.00 0.00 H new ATOM 0 HA ASP A 66 21.045 2.746 -7.381 1.00 0.00 H new ATOM 0 HB2 ASP A 66 19.888 0.985 -5.884 1.00 0.00 H new ATOM 0 HB3 ASP A 66 19.019 0.447 -7.308 1.00 0.00 H new ATOM 1024 N GLY A 67 18.753 2.875 -9.606 1.00 0.00 N ATOM 1025 CA GLY A 67 18.380 2.764 -11.027 1.00 0.00 C ATOM 1026 C GLY A 67 17.804 1.397 -11.398 1.00 0.00 C ATOM 1027 O GLY A 67 17.927 0.949 -12.542 1.00 0.00 O ATOM 0 H GLY A 67 18.105 3.429 -9.046 1.00 0.00 H new ATOM 0 HA2 GLY A 67 17.647 3.535 -11.264 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.259 2.959 -11.642 1.00 0.00 H new ATOM 1031 N LYS A 68 17.222 0.710 -10.401 1.00 0.00 N ATOM 1032 CA LYS A 68 16.416 -0.516 -10.610 1.00 0.00 C ATOM 1033 C LYS A 68 14.941 -0.152 -10.831 1.00 0.00 C ATOM 1034 O LYS A 68 14.207 -0.861 -11.520 1.00 0.00 O ATOM 1035 CB LYS A 68 16.561 -1.468 -9.392 1.00 0.00 C ATOM 1036 CG LYS A 68 17.990 -2.019 -9.098 1.00 0.00 C ATOM 1037 CD LYS A 68 18.479 -3.126 -10.083 1.00 0.00 C ATOM 1038 CE LYS A 68 18.955 -2.599 -11.453 1.00 0.00 C ATOM 1039 NZ LYS A 68 19.400 -3.685 -12.343 1.00 0.00 N ATOM 0 H LYS A 68 17.294 0.986 -9.422 1.00 0.00 H new ATOM 0 HA LYS A 68 16.784 -1.029 -11.499 1.00 0.00 H new ATOM 0 HB2 LYS A 68 16.211 -0.941 -8.505 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.894 -2.317 -9.542 1.00 0.00 H new ATOM 0 HG2 LYS A 68 18.697 -1.190 -9.125 1.00 0.00 H new ATOM 0 HG3 LYS A 68 18.008 -2.420 -8.085 1.00 0.00 H new ATOM 0 HD2 LYS A 68 19.296 -3.675 -9.615 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.668 -3.836 -10.243 1.00 0.00 H new ATOM 0 HE2 LYS A 68 18.144 -2.049 -11.931 1.00 0.00 H new ATOM 0 HE3 LYS A 68 19.773 -1.895 -11.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 19.711 -3.284 -13.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 20.191 -4.194 -11.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.613 -4.344 -12.507 1.00 0.00 H new ATOM 1053 N ALA A 69 14.536 0.965 -10.228 1.00 0.00 N ATOM 1054 CA ALA A 69 13.182 1.524 -10.336 1.00 0.00 C ATOM 1055 C ALA A 69 13.291 3.042 -10.514 1.00 0.00 C ATOM 1056 O ALA A 69 14.355 3.627 -10.265 1.00 0.00 O ATOM 1057 CB ALA A 69 12.348 1.169 -9.086 1.00 0.00 C ATOM 0 H ALA A 69 15.152 1.522 -9.636 1.00 0.00 H new ATOM 0 HA ALA A 69 12.672 1.096 -11.199 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.348 1.591 -9.184 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.277 0.085 -8.992 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.830 1.579 -8.199 1.00 0.00 H new ATOM 1063 N THR A 70 12.208 3.664 -10.980 1.00 0.00 N ATOM 1064 CA THR A 70 12.095 5.127 -11.089 1.00 0.00 C ATOM 1065 C THR A 70 11.173 5.665 -9.978 1.00 0.00 C ATOM 1066 O THR A 70 10.439 4.886 -9.343 1.00 0.00 O ATOM 1067 CB THR A 70 11.555 5.533 -12.497 1.00 0.00 C ATOM 1068 OG1 THR A 70 10.288 4.914 -12.746 1.00 0.00 O ATOM 1069 CG2 THR A 70 12.523 5.184 -13.637 1.00 0.00 C ATOM 0 H THR A 70 11.375 3.167 -11.296 1.00 0.00 H new ATOM 0 HA THR A 70 13.085 5.567 -10.968 1.00 0.00 H new ATOM 0 HB THR A 70 11.447 6.618 -12.480 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.591 5.602 -12.792 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.090 5.491 -14.589 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.468 5.704 -13.484 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.699 4.108 -13.649 1.00 0.00 H new ATOM 1077 N THR A 71 11.214 6.998 -9.750 1.00 0.00 N ATOM 1078 CA THR A 71 10.483 7.643 -8.643 1.00 0.00 C ATOM 1079 C THR A 71 8.959 7.454 -8.777 1.00 0.00 C ATOM 1080 O THR A 71 8.348 6.799 -7.932 1.00 0.00 O ATOM 1081 CB THR A 71 10.823 9.168 -8.523 1.00 0.00 C ATOM 1082 OG1 THR A 71 10.603 9.820 -9.781 1.00 0.00 O ATOM 1083 CG2 THR A 71 12.272 9.408 -8.079 1.00 0.00 C ATOM 0 H THR A 71 11.750 7.648 -10.324 1.00 0.00 H new ATOM 0 HA THR A 71 10.814 7.147 -7.730 1.00 0.00 H new ATOM 0 HB THR A 71 10.164 9.583 -7.760 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.816 10.773 -9.697 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.459 10.480 -8.011 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.435 8.948 -7.104 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.953 8.967 -8.806 1.00 0.00 H new ATOM 1091 N GLU A 72 8.369 8.002 -9.863 1.00 0.00 N ATOM 1092 CA GLU A 72 6.904 7.978 -10.104 1.00 0.00 C ATOM 1093 C GLU A 72 6.287 6.579 -10.018 1.00 0.00 C ATOM 1094 O GLU A 72 5.176 6.428 -9.495 1.00 0.00 O ATOM 1095 CB GLU A 72 6.524 8.651 -11.463 1.00 0.00 C ATOM 1096 CG GLU A 72 7.147 8.052 -12.744 1.00 0.00 C ATOM 1097 CD GLU A 72 8.584 8.525 -12.990 1.00 0.00 C ATOM 1098 OE1 GLU A 72 9.516 7.889 -12.499 1.00 0.00 O ATOM 1099 OE2 GLU A 72 8.778 9.558 -13.665 1.00 0.00 O ATOM 0 H GLU A 72 8.894 8.474 -10.599 1.00 0.00 H new ATOM 0 HA GLU A 72 6.477 8.563 -9.289 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.439 8.616 -11.566 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.805 9.703 -11.410 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.136 6.964 -12.672 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.530 8.321 -13.601 1.00 0.00 H new ATOM 1106 N GLN A 73 7.054 5.579 -10.483 1.00 0.00 N ATOM 1107 CA GLN A 73 6.645 4.162 -10.529 1.00 0.00 C ATOM 1108 C GLN A 73 6.140 3.656 -9.146 1.00 0.00 C ATOM 1109 O GLN A 73 5.259 2.792 -9.082 1.00 0.00 O ATOM 1110 CB GLN A 73 7.837 3.317 -11.085 1.00 0.00 C ATOM 1111 CG GLN A 73 7.535 1.831 -11.425 1.00 0.00 C ATOM 1112 CD GLN A 73 7.857 0.854 -10.297 1.00 0.00 C ATOM 1113 OE1 GLN A 73 9.087 0.357 -10.268 1.00 0.00 O flip ATOM 1114 NE2 GLN A 73 7.025 0.569 -9.448 1.00 0.00 N flip ATOM 0 H GLN A 73 7.995 5.734 -10.845 1.00 0.00 H new ATOM 0 HA GLN A 73 5.794 4.049 -11.200 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.209 3.804 -11.986 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.644 3.342 -10.353 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.480 1.736 -11.683 1.00 0.00 H new ATOM 0 HG3 GLN A 73 8.106 1.549 -12.309 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.088 0.968 -9.498 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.268 -0.068 -8.689 1.00 0.00 H new ATOM 1123 N TYR A 74 6.664 4.233 -8.046 1.00 0.00 N ATOM 1124 CA TYR A 74 6.213 3.919 -6.666 1.00 0.00 C ATOM 1125 C TYR A 74 5.551 5.131 -5.976 1.00 0.00 C ATOM 1126 O TYR A 74 4.630 4.954 -5.168 1.00 0.00 O ATOM 1127 CB TYR A 74 7.405 3.390 -5.809 1.00 0.00 C ATOM 1128 CG TYR A 74 7.738 1.917 -6.067 1.00 0.00 C ATOM 1129 CD1 TYR A 74 6.793 0.937 -5.782 1.00 0.00 C ATOM 1130 CD2 TYR A 74 8.969 1.506 -6.592 1.00 0.00 C ATOM 1131 CE1 TYR A 74 7.050 -0.394 -6.004 1.00 0.00 C ATOM 1132 CE2 TYR A 74 9.230 0.166 -6.820 1.00 0.00 C ATOM 1133 CZ TYR A 74 8.261 -0.778 -6.521 1.00 0.00 C ATOM 1134 OH TYR A 74 8.501 -2.114 -6.744 1.00 0.00 O ATOM 0 H TYR A 74 7.410 4.928 -8.084 1.00 0.00 H new ATOM 0 HA TYR A 74 5.456 3.139 -6.746 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.288 3.995 -6.016 1.00 0.00 H new ATOM 0 HB3 TYR A 74 7.169 3.521 -4.753 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.835 1.229 -5.377 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.724 2.243 -6.822 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.300 -1.136 -5.772 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.182 -0.141 -7.228 1.00 0.00 H new ATOM 0 HH TYR A 74 9.402 -2.227 -7.113 1.00 0.00 H new ATOM 1144 N PHE A 75 5.994 6.356 -6.315 1.00 0.00 N ATOM 1145 CA PHE A 75 5.665 7.578 -5.543 1.00 0.00 C ATOM 1146 C PHE A 75 4.431 8.330 -6.090 1.00 0.00 C ATOM 1147 O PHE A 75 4.075 9.369 -5.547 1.00 0.00 O ATOM 1148 CB PHE A 75 6.904 8.521 -5.500 1.00 0.00 C ATOM 1149 CG PHE A 75 8.026 8.079 -4.549 1.00 0.00 C ATOM 1150 CD1 PHE A 75 8.788 6.936 -4.798 1.00 0.00 C ATOM 1151 CD2 PHE A 75 8.321 8.823 -3.403 1.00 0.00 C ATOM 1152 CE1 PHE A 75 9.802 6.553 -3.936 1.00 0.00 C ATOM 1153 CE2 PHE A 75 9.336 8.439 -2.544 1.00 0.00 C ATOM 1154 CZ PHE A 75 10.075 7.304 -2.809 1.00 0.00 C ATOM 0 H PHE A 75 6.587 6.531 -7.126 1.00 0.00 H new ATOM 0 HA PHE A 75 5.404 7.259 -4.534 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.314 8.603 -6.507 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.573 9.518 -5.208 1.00 0.00 H new ATOM 0 HD1 PHE A 75 8.584 6.341 -5.676 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.748 9.712 -3.184 1.00 0.00 H new ATOM 0 HE1 PHE A 75 10.381 5.665 -4.145 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.550 9.029 -1.665 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.865 7.003 -2.137 1.00 0.00 H new ATOM 1164 N VAL A 76 3.760 7.799 -7.127 1.00 0.00 N ATOM 1165 CA VAL A 76 2.505 8.399 -7.636 1.00 0.00 C ATOM 1166 C VAL A 76 1.341 7.684 -6.961 1.00 0.00 C ATOM 1167 O VAL A 76 1.317 6.475 -6.927 1.00 0.00 O ATOM 1168 CB VAL A 76 2.392 8.327 -9.200 1.00 0.00 C ATOM 1169 CG1 VAL A 76 0.986 8.723 -9.714 1.00 0.00 C ATOM 1170 CG2 VAL A 76 3.463 9.223 -9.845 1.00 0.00 C ATOM 0 H VAL A 76 4.059 6.963 -7.628 1.00 0.00 H new ATOM 0 HA VAL A 76 2.492 9.462 -7.394 1.00 0.00 H new ATOM 0 HB VAL A 76 2.556 7.289 -9.488 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.964 8.656 -10.802 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.241 8.047 -9.293 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.762 9.745 -9.409 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.378 9.168 -10.930 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.318 10.254 -9.522 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.453 8.883 -9.541 1.00 0.00 H new ATOM 1180 N LEU A 77 0.384 8.463 -6.451 1.00 0.00 N ATOM 1181 CA LEU A 77 -0.663 8.003 -5.521 1.00 0.00 C ATOM 1182 C LEU A 77 -1.532 6.842 -6.052 1.00 0.00 C ATOM 1183 O LEU A 77 -2.066 6.085 -5.249 1.00 0.00 O ATOM 1184 CB LEU A 77 -1.541 9.201 -5.104 1.00 0.00 C ATOM 1185 CG LEU A 77 -0.776 10.384 -4.429 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -1.744 11.498 -4.028 1.00 0.00 C ATOM 1187 CD2 LEU A 77 0.072 9.904 -3.222 1.00 0.00 C ATOM 0 H LEU A 77 0.309 9.455 -6.675 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.145 7.589 -4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.055 9.579 -5.988 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.309 8.846 -4.416 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.081 10.792 -5.163 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.189 12.311 -3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.256 11.871 -4.915 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.477 11.106 -3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.589 10.755 -2.779 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.580 9.448 -2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.804 9.171 -3.560 1.00 0.00 H new ATOM 1199 N LYS A 78 -1.678 6.710 -7.389 1.00 0.00 N ATOM 1200 CA LYS A 78 -2.391 5.559 -8.004 1.00 0.00 C ATOM 1201 C LYS A 78 -1.528 4.281 -7.903 1.00 0.00 C ATOM 1202 O LYS A 78 -2.036 3.192 -7.608 1.00 0.00 O ATOM 1203 CB LYS A 78 -2.759 5.849 -9.490 1.00 0.00 C ATOM 1204 CG LYS A 78 -1.545 6.072 -10.421 1.00 0.00 C ATOM 1205 CD LYS A 78 -1.933 6.366 -11.883 1.00 0.00 C ATOM 1206 CE LYS A 78 -0.700 6.568 -12.775 1.00 0.00 C ATOM 1207 NZ LYS A 78 -1.064 6.890 -14.174 1.00 0.00 N ATOM 0 H LYS A 78 -1.314 7.382 -8.065 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.319 5.405 -7.454 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.347 5.016 -9.874 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.396 6.733 -9.527 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.952 6.902 -10.038 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.910 5.187 -10.394 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.531 5.542 -12.272 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.558 7.259 -11.920 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.087 7.372 -12.367 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.091 5.664 -12.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.199 7.017 -14.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.626 6.112 -14.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.623 7.767 -14.194 1.00 0.00 H new ATOM 1221 N ASN A 79 -0.210 4.450 -8.143 1.00 0.00 N ATOM 1222 CA ASN A 79 0.776 3.359 -8.120 1.00 0.00 C ATOM 1223 C ASN A 79 0.975 2.897 -6.684 1.00 0.00 C ATOM 1224 O ASN A 79 0.850 1.712 -6.404 1.00 0.00 O ATOM 1225 CB ASN A 79 2.133 3.802 -8.730 1.00 0.00 C ATOM 1226 CG ASN A 79 2.043 4.197 -10.204 1.00 0.00 C ATOM 1227 OD1 ASN A 79 1.184 3.725 -10.944 1.00 0.00 O ATOM 1228 ND2 ASN A 79 2.949 5.037 -10.649 1.00 0.00 N ATOM 0 H ASN A 79 0.199 5.359 -8.360 1.00 0.00 H new ATOM 0 HA ASN A 79 0.396 2.538 -8.728 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.520 4.646 -8.159 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.852 2.990 -8.624 1.00 0.00 H new ATOM 0 HD21 ASN A 79 2.950 5.312 -11.631 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.651 5.414 -10.013 1.00 0.00 H new ATOM 1235 N LEU A 80 1.252 3.875 -5.790 1.00 0.00 N ATOM 1236 CA LEU A 80 1.373 3.682 -4.340 1.00 0.00 C ATOM 1237 C LEU A 80 0.161 2.921 -3.797 1.00 0.00 C ATOM 1238 O LEU A 80 0.326 1.902 -3.137 1.00 0.00 O ATOM 1239 CB LEU A 80 1.490 5.055 -3.614 1.00 0.00 C ATOM 1240 CG LEU A 80 1.608 4.995 -2.051 1.00 0.00 C ATOM 1241 CD1 LEU A 80 2.932 4.330 -1.600 1.00 0.00 C ATOM 1242 CD2 LEU A 80 1.421 6.396 -1.414 1.00 0.00 C ATOM 0 H LEU A 80 1.400 4.844 -6.073 1.00 0.00 H new ATOM 0 HA LEU A 80 2.275 3.100 -4.151 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.363 5.578 -4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.617 5.655 -3.870 1.00 0.00 H new ATOM 0 HG LEU A 80 0.797 4.364 -1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.975 4.308 -0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.978 3.312 -1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.776 4.902 -1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.509 6.318 -0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.187 7.073 -1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.435 6.784 -1.671 1.00 0.00 H new ATOM 1254 N ALA A 81 -1.054 3.397 -4.152 1.00 0.00 N ATOM 1255 CA ALA A 81 -2.322 2.771 -3.722 1.00 0.00 C ATOM 1256 C ALA A 81 -2.414 1.316 -4.209 1.00 0.00 C ATOM 1257 O ALA A 81 -2.869 0.437 -3.478 1.00 0.00 O ATOM 1258 CB ALA A 81 -3.530 3.586 -4.216 1.00 0.00 C ATOM 0 H ALA A 81 -1.181 4.220 -4.741 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.337 2.763 -2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.452 3.106 -3.887 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.480 4.595 -3.806 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.515 3.635 -5.305 1.00 0.00 H new ATOM 1264 N ALA A 82 -1.937 1.071 -5.434 1.00 0.00 N ATOM 1265 CA ALA A 82 -1.927 -0.274 -6.026 1.00 0.00 C ATOM 1266 C ALA A 82 -0.879 -1.180 -5.347 1.00 0.00 C ATOM 1267 O ALA A 82 -1.056 -2.397 -5.309 1.00 0.00 O ATOM 1268 CB ALA A 82 -1.673 -0.179 -7.528 1.00 0.00 C ATOM 0 H ALA A 82 -1.549 1.793 -6.041 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.904 -0.728 -5.862 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.667 -1.180 -7.960 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.461 0.412 -7.994 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.709 0.298 -7.705 1.00 0.00 H new ATOM 1274 N ARG A 83 0.213 -0.583 -4.809 1.00 0.00 N ATOM 1275 CA ARG A 83 1.247 -1.332 -4.054 1.00 0.00 C ATOM 1276 C ARG A 83 0.667 -1.808 -2.713 1.00 0.00 C ATOM 1277 O ARG A 83 0.889 -2.942 -2.289 1.00 0.00 O ATOM 1278 CB ARG A 83 2.511 -0.468 -3.773 1.00 0.00 C ATOM 1279 CG ARG A 83 3.169 0.253 -4.980 1.00 0.00 C ATOM 1280 CD ARG A 83 3.464 -0.655 -6.196 1.00 0.00 C ATOM 1281 NE ARG A 83 2.287 -0.909 -7.054 1.00 0.00 N ATOM 1282 CZ ARG A 83 2.036 -2.050 -7.700 1.00 0.00 C ATOM 1283 NH1 ARG A 83 2.803 -3.115 -7.527 1.00 0.00 N ATOM 1284 NH2 ARG A 83 1.015 -2.115 -8.535 1.00 0.00 N ATOM 0 H ARG A 83 0.400 0.417 -4.884 1.00 0.00 H new ATOM 0 HA ARG A 83 1.544 -2.181 -4.670 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.244 0.288 -3.034 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.263 -1.111 -3.315 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.516 1.065 -5.300 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.103 0.707 -4.649 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.248 -0.196 -6.798 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.854 -1.608 -5.839 1.00 0.00 H new ATOM 0 HE ARG A 83 1.612 -0.151 -7.161 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.600 -3.072 -6.892 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.597 -3.979 -8.029 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.424 -1.297 -8.683 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.817 -2.983 -9.032 1.00 0.00 H new ATOM 1298 N ILE A 84 -0.076 -0.902 -2.069 1.00 0.00 N ATOM 1299 CA ILE A 84 -0.731 -1.145 -0.776 1.00 0.00 C ATOM 1300 C ILE A 84 -1.788 -2.250 -0.936 1.00 0.00 C ATOM 1301 O ILE A 84 -1.806 -3.224 -0.186 1.00 0.00 O ATOM 1302 CB ILE A 84 -1.417 0.170 -0.258 1.00 0.00 C ATOM 1303 CG1 ILE A 84 -0.388 1.343 -0.199 1.00 0.00 C ATOM 1304 CG2 ILE A 84 -2.103 -0.051 1.110 1.00 0.00 C ATOM 1305 CD1 ILE A 84 -0.989 2.727 -0.122 1.00 0.00 C ATOM 0 H ILE A 84 -0.243 0.035 -2.435 1.00 0.00 H new ATOM 0 HA ILE A 84 0.020 -1.459 -0.052 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.198 0.444 -0.968 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.256 1.196 0.668 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.249 1.290 -1.082 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.567 0.879 1.439 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.866 -0.823 1.014 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.360 -0.364 1.843 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.191 3.469 -0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.609 2.904 -1.001 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.601 2.808 0.776 1.00 0.00 H new ATOM 1317 N ASP A 85 -2.627 -2.086 -1.972 1.00 0.00 N ATOM 1318 CA ASP A 85 -3.717 -3.019 -2.321 1.00 0.00 C ATOM 1319 C ASP A 85 -3.165 -4.413 -2.687 1.00 0.00 C ATOM 1320 O ASP A 85 -3.787 -5.431 -2.385 1.00 0.00 O ATOM 1321 CB ASP A 85 -4.546 -2.429 -3.498 1.00 0.00 C ATOM 1322 CG ASP A 85 -5.734 -3.317 -3.914 1.00 0.00 C ATOM 1323 OD1 ASP A 85 -6.802 -3.233 -3.281 1.00 0.00 O ATOM 1324 OD2 ASP A 85 -5.594 -4.109 -4.867 1.00 0.00 O ATOM 0 H ASP A 85 -2.568 -1.287 -2.604 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.363 -3.143 -1.452 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.919 -1.445 -3.213 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.891 -2.284 -4.357 1.00 0.00 H new ATOM 1329 N GLU A 86 -1.990 -4.424 -3.334 1.00 0.00 N ATOM 1330 CA GLU A 86 -1.236 -5.640 -3.670 1.00 0.00 C ATOM 1331 C GLU A 86 -0.878 -6.420 -2.382 1.00 0.00 C ATOM 1332 O GLU A 86 -0.984 -7.646 -2.341 1.00 0.00 O ATOM 1333 CB GLU A 86 0.031 -5.204 -4.467 1.00 0.00 C ATOM 1334 CG GLU A 86 0.748 -6.291 -5.280 1.00 0.00 C ATOM 1335 CD GLU A 86 1.532 -7.324 -4.453 1.00 0.00 C ATOM 1336 OE1 GLU A 86 2.383 -6.914 -3.634 1.00 0.00 O ATOM 1337 OE2 GLU A 86 1.329 -8.545 -4.634 1.00 0.00 O ATOM 0 H GLU A 86 -1.528 -3.569 -3.645 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.831 -6.315 -4.285 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.256 -4.404 -5.149 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.746 -4.780 -3.762 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.008 -6.819 -5.882 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.436 -5.808 -5.973 1.00 0.00 H new ATOM 1344 N LEU A 87 -0.477 -5.671 -1.338 1.00 0.00 N ATOM 1345 CA LEU A 87 -0.134 -6.229 -0.011 1.00 0.00 C ATOM 1346 C LEU A 87 -1.400 -6.645 0.776 1.00 0.00 C ATOM 1347 O LEU A 87 -1.358 -7.588 1.579 1.00 0.00 O ATOM 1348 CB LEU A 87 0.705 -5.211 0.800 1.00 0.00 C ATOM 1349 CG LEU A 87 2.050 -4.778 0.144 1.00 0.00 C ATOM 1350 CD1 LEU A 87 2.768 -3.717 0.989 1.00 0.00 C ATOM 1351 CD2 LEU A 87 2.961 -5.997 -0.133 1.00 0.00 C ATOM 0 H LEU A 87 -0.381 -4.657 -1.389 1.00 0.00 H new ATOM 0 HA LEU A 87 0.462 -7.128 -0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.100 -4.320 0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.920 -5.641 1.778 1.00 0.00 H new ATOM 0 HG LEU A 87 1.815 -4.323 -0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.703 -3.437 0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.132 -2.837 1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.980 -4.122 1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.891 -5.660 -0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.182 -6.507 0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.453 -6.685 -0.809 1.00 0.00 H new ATOM 1363 N VAL A 88 -2.529 -5.955 0.521 1.00 0.00 N ATOM 1364 CA VAL A 88 -3.835 -6.297 1.128 1.00 0.00 C ATOM 1365 C VAL A 88 -4.388 -7.580 0.457 1.00 0.00 C ATOM 1366 O VAL A 88 -5.109 -8.358 1.082 1.00 0.00 O ATOM 1367 CB VAL A 88 -4.855 -5.095 1.018 1.00 0.00 C ATOM 1368 CG1 VAL A 88 -6.242 -5.454 1.610 1.00 0.00 C ATOM 1369 CG2 VAL A 88 -4.291 -3.821 1.710 1.00 0.00 C ATOM 0 H VAL A 88 -2.564 -5.151 -0.106 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.695 -6.488 2.192 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.989 -4.890 -0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.911 -4.599 1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.659 -6.304 1.070 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.132 -5.711 2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.012 -3.009 1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.109 -4.030 2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.356 -3.531 1.231 1.00 0.00 H new ATOM 1379 N ALA A 89 -4.000 -7.795 -0.815 1.00 0.00 N ATOM 1380 CA ALA A 89 -4.285 -9.034 -1.559 1.00 0.00 C ATOM 1381 C ALA A 89 -3.365 -10.166 -1.075 1.00 0.00 C ATOM 1382 O ALA A 89 -3.783 -11.321 -1.007 1.00 0.00 O ATOM 1383 CB ALA A 89 -4.124 -8.816 -3.069 1.00 0.00 C ATOM 0 H ALA A 89 -3.476 -7.108 -1.357 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.320 -9.319 -1.369 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.340 -9.745 -3.596 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.816 -8.042 -3.401 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.102 -8.506 -3.285 1.00 0.00 H new ATOM 1389 N ALA A 90 -2.104 -9.825 -0.739 1.00 0.00 N ATOM 1390 CA ALA A 90 -1.158 -10.771 -0.101 1.00 0.00 C ATOM 1391 C ALA A 90 -1.708 -11.257 1.255 1.00 0.00 C ATOM 1392 O ALA A 90 -1.462 -12.389 1.673 1.00 0.00 O ATOM 1393 CB ALA A 90 0.214 -10.104 0.086 1.00 0.00 C ATOM 0 H ALA A 90 -1.713 -8.897 -0.899 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.041 -11.636 -0.753 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.900 -10.809 0.556 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.609 -9.805 -0.885 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.107 -9.224 0.720 1.00 0.00 H new ATOM 1399 N LYS A 91 -2.484 -10.376 1.906 1.00 0.00 N ATOM 1400 CA LYS A 91 -3.101 -10.635 3.211 1.00 0.00 C ATOM 1401 C LYS A 91 -4.445 -11.371 3.037 1.00 0.00 C ATOM 1402 O LYS A 91 -4.764 -12.285 3.795 1.00 0.00 O ATOM 1403 CB LYS A 91 -3.323 -9.289 3.945 1.00 0.00 C ATOM 1404 CG LYS A 91 -4.036 -9.396 5.315 1.00 0.00 C ATOM 1405 CD LYS A 91 -4.390 -8.015 5.906 1.00 0.00 C ATOM 1406 CE LYS A 91 -3.153 -7.157 6.199 1.00 0.00 C ATOM 1407 NZ LYS A 91 -2.255 -7.786 7.201 1.00 0.00 N ATOM 0 H LYS A 91 -2.702 -9.452 1.533 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.439 -11.269 3.801 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.355 -8.810 4.093 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.907 -8.633 3.299 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.947 -9.984 5.202 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.395 -9.933 6.014 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.039 -7.483 5.210 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.956 -8.154 6.827 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.601 -6.991 5.274 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.470 -6.179 6.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.708 -7.048 7.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.824 -8.312 7.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.603 -8.439 6.721 1.00 0.00 H new ATOM 1421 N GLY A 92 -5.206 -10.970 2.008 1.00 0.00 N ATOM 1422 CA GLY A 92 -6.612 -11.356 1.873 1.00 0.00 C ATOM 1423 C GLY A 92 -6.820 -12.596 1.025 1.00 0.00 C ATOM 1424 O GLY A 92 -7.556 -13.511 1.409 1.00 0.00 O ATOM 0 H GLY A 92 -4.865 -10.374 1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -7.030 -11.529 2.865 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.167 -10.528 1.433 1.00 0.00 H new ATOM 1428 N ALA A 93 -6.169 -12.618 -0.140 1.00 0.00 N ATOM 1429 CA ALA A 93 -6.299 -13.706 -1.126 1.00 0.00 C ATOM 1430 C ALA A 93 -5.394 -14.900 -0.775 1.00 0.00 C ATOM 1431 O ALA A 93 -5.506 -15.957 -1.404 1.00 0.00 O ATOM 1432 CB ALA A 93 -5.992 -13.174 -2.536 1.00 0.00 C ATOM 0 H ALA A 93 -5.531 -11.878 -0.433 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.327 -14.068 -1.103 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.090 -13.983 -3.260 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.693 -12.378 -2.785 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -4.975 -12.783 -2.564 1.00 0.00 H new ATOM 1438 N LEU A 94 -4.501 -14.711 0.225 1.00 0.00 N ATOM 1439 CA LEU A 94 -3.568 -15.750 0.721 1.00 0.00 C ATOM 1440 C LEU A 94 -2.625 -16.266 -0.394 1.00 0.00 C ATOM 1441 O LEU A 94 -2.476 -15.626 -1.443 1.00 0.00 O ATOM 1442 CB LEU A 94 -4.336 -16.935 1.394 1.00 0.00 C ATOM 1443 CG LEU A 94 -5.351 -16.589 2.530 1.00 0.00 C ATOM 1444 CD1 LEU A 94 -5.776 -17.858 3.305 1.00 0.00 C ATOM 1445 CD2 LEU A 94 -4.799 -15.507 3.472 1.00 0.00 C ATOM 0 H LEU A 94 -4.407 -13.822 0.716 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.946 -15.276 1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.876 -17.471 0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.597 -17.625 1.802 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.244 -16.178 2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.483 -17.586 4.089 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.248 -18.562 2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.897 -18.322 3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.533 -15.293 4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.876 -15.861 3.932 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.596 -14.599 2.904 1.00 0.00 H new ATOM 1457 N GLU A 95 -1.949 -17.399 -0.125 1.00 0.00 N ATOM 1458 CA GLU A 95 -1.197 -18.148 -1.148 1.00 0.00 C ATOM 1459 C GLU A 95 -2.133 -19.163 -1.827 1.00 0.00 C ATOM 1460 O GLU A 95 -2.214 -19.209 -3.062 1.00 0.00 O ATOM 1461 CB GLU A 95 0.022 -18.864 -0.511 1.00 0.00 C ATOM 1462 CG GLU A 95 1.095 -17.918 0.050 1.00 0.00 C ATOM 1463 CD GLU A 95 2.298 -18.656 0.670 1.00 0.00 C ATOM 1464 OE1 GLU A 95 3.105 -19.244 -0.084 1.00 0.00 O ATOM 1465 OE2 GLU A 95 2.448 -18.647 1.912 1.00 0.00 O ATOM 0 H GLU A 95 -1.909 -17.819 0.804 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.821 -17.454 -1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.331 -19.510 0.293 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.480 -19.509 -1.260 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.450 -17.268 -0.750 1.00 0.00 H new ATOM 0 HG3 GLU A 95 0.643 -17.276 0.806 1.00 0.00 H new ATOM 1472 N HIS A 96 -2.841 -19.956 -0.988 1.00 0.00 N ATOM 1473 CA HIS A 96 -3.810 -20.993 -1.425 1.00 0.00 C ATOM 1474 C HIS A 96 -3.181 -22.004 -2.421 1.00 0.00 C ATOM 1475 O HIS A 96 -3.355 -21.881 -3.640 1.00 0.00 O ATOM 1476 CB HIS A 96 -5.121 -20.366 -2.015 1.00 0.00 C ATOM 1477 CG HIS A 96 -6.060 -19.754 -1.002 1.00 0.00 C ATOM 1478 ND1 HIS A 96 -6.665 -18.524 -1.171 1.00 0.00 N ATOM 1479 CD2 HIS A 96 -6.550 -20.247 0.157 1.00 0.00 C ATOM 1480 CE1 HIS A 96 -7.488 -18.292 -0.167 1.00 0.00 C ATOM 1481 NE2 HIS A 96 -7.437 -19.324 0.651 1.00 0.00 N ATOM 0 H HIS A 96 -2.755 -19.893 0.026 1.00 0.00 H new ATOM 0 HA HIS A 96 -4.085 -21.547 -0.528 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -4.843 -19.599 -2.738 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -5.659 -21.140 -2.563 1.00 0.00 H new ATOM 0 HD1 HIS A 96 -6.500 -17.891 -1.954 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -6.291 -21.192 0.610 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -8.098 -17.410 -0.038 1.00 0.00 H new ATOM 1490 N HIS A 97 -2.406 -22.968 -1.890 1.00 0.00 N ATOM 1491 CA HIS A 97 -1.876 -24.107 -2.676 1.00 0.00 C ATOM 1492 C HIS A 97 -2.657 -25.367 -2.253 1.00 0.00 C ATOM 1493 O HIS A 97 -3.593 -25.793 -2.937 1.00 0.00 O ATOM 1494 CB HIS A 97 -0.342 -24.320 -2.456 1.00 0.00 C ATOM 1495 CG HIS A 97 0.501 -23.074 -2.438 1.00 0.00 C ATOM 1496 ND1 HIS A 97 1.148 -22.574 -3.544 1.00 0.00 N ATOM 1497 CD2 HIS A 97 0.856 -22.269 -1.411 1.00 0.00 C ATOM 1498 CE1 HIS A 97 1.865 -21.524 -3.194 1.00 0.00 C ATOM 1499 NE2 HIS A 97 1.701 -21.314 -1.907 1.00 0.00 N ATOM 0 H HIS A 97 -2.128 -22.983 -0.909 1.00 0.00 H new ATOM 0 HA HIS A 97 -2.007 -23.899 -3.738 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -0.200 -24.845 -1.511 1.00 0.00 H new ATOM 0 HB3 HIS A 97 0.030 -24.975 -3.243 1.00 0.00 H new ATOM 0 HD2 HIS A 97 0.531 -22.363 -0.385 1.00 0.00 H new ATOM 0 HE1 HIS A 97 2.484 -20.935 -3.855 1.00 0.00 H new ATOM 0 HE2 HIS A 97 2.132 -20.563 -1.367 1.00 0.00 H new ATOM 1508 N HIS A 98 -2.265 -25.923 -1.090 1.00 0.00 N ATOM 1509 CA HIS A 98 -2.930 -27.046 -0.403 1.00 0.00 C ATOM 1510 C HIS A 98 -2.570 -26.914 1.083 1.00 0.00 C ATOM 1511 O HIS A 98 -1.384 -26.999 1.430 1.00 0.00 O ATOM 1512 CB HIS A 98 -2.469 -28.433 -0.932 1.00 0.00 C ATOM 1513 CG HIS A 98 -2.870 -28.744 -2.353 1.00 0.00 C ATOM 1514 ND1 HIS A 98 -1.981 -28.741 -3.402 1.00 0.00 N ATOM 1515 CD2 HIS A 98 -4.078 -29.048 -2.890 1.00 0.00 C ATOM 1516 CE1 HIS A 98 -2.615 -29.022 -4.521 1.00 0.00 C ATOM 1517 NE2 HIS A 98 -3.884 -29.219 -4.237 1.00 0.00 N ATOM 0 H HIS A 98 -1.445 -25.589 -0.584 1.00 0.00 H new ATOM 0 HA HIS A 98 -4.004 -26.997 -0.580 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -1.383 -28.490 -0.857 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -2.875 -29.206 -0.279 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -5.014 -29.138 -2.358 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -2.170 -29.081 -5.503 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -4.609 -29.461 -4.912 1.00 0.00 H new ATOM 1526 N HIS A 99 -3.587 -26.671 1.933 1.00 0.00 N ATOM 1527 CA HIS A 99 -3.405 -26.312 3.361 1.00 0.00 C ATOM 1528 C HIS A 99 -2.640 -24.972 3.463 1.00 0.00 C ATOM 1529 O HIS A 99 -2.687 -24.172 2.513 1.00 0.00 O ATOM 1530 CB HIS A 99 -2.716 -27.465 4.164 1.00 0.00 C ATOM 1531 CG HIS A 99 -3.497 -28.754 4.172 1.00 0.00 C ATOM 1532 ND1 HIS A 99 -3.006 -29.937 3.661 1.00 0.00 N ATOM 1533 CD2 HIS A 99 -4.747 -29.034 4.619 1.00 0.00 C ATOM 1534 CE1 HIS A 99 -3.914 -30.883 3.794 1.00 0.00 C ATOM 1535 NE2 HIS A 99 -4.980 -30.366 4.369 1.00 0.00 N ATOM 0 H HIS A 99 -4.566 -26.718 1.650 1.00 0.00 H new ATOM 0 HA HIS A 99 -4.383 -26.177 3.823 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -1.730 -27.652 3.739 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -2.563 -27.138 5.192 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.431 -28.340 5.084 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -3.802 -31.911 3.483 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -5.838 -30.871 4.592 1.00 0.00 H new ATOM 1544 N HIS A 100 -1.980 -24.711 4.619 1.00 0.00 N ATOM 1545 CA HIS A 100 -1.125 -23.512 4.824 1.00 0.00 C ATOM 1546 C HIS A 100 -1.960 -22.209 4.757 1.00 0.00 C ATOM 1547 O HIS A 100 -3.191 -22.247 4.897 1.00 0.00 O ATOM 1548 CB HIS A 100 0.057 -23.502 3.809 1.00 0.00 C ATOM 1549 CG HIS A 100 1.056 -24.615 3.999 1.00 0.00 C ATOM 1550 ND1 HIS A 100 2.308 -24.412 4.533 1.00 0.00 N ATOM 1551 CD2 HIS A 100 0.985 -25.940 3.717 1.00 0.00 C ATOM 1552 CE1 HIS A 100 2.963 -25.554 4.568 1.00 0.00 C ATOM 1553 NE2 HIS A 100 2.183 -26.500 4.079 1.00 0.00 N ATOM 0 H HIS A 100 -2.024 -25.323 5.434 1.00 0.00 H new ATOM 0 HA HIS A 100 -0.697 -23.562 5.825 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -0.348 -23.563 2.799 1.00 0.00 H new ATOM 0 HB3 HIS A 100 0.577 -22.547 3.886 1.00 0.00 H new ATOM 0 HD2 HIS A 100 0.141 -26.458 3.287 1.00 0.00 H new ATOM 0 HE1 HIS A 100 3.969 -25.693 4.935 1.00 0.00 H new ATOM 0 HE2 HIS A 100 2.431 -27.485 3.986 1.00 0.00 H new ATOM 1562 N HIS A 101 -1.287 -21.059 4.569 1.00 0.00 N ATOM 1563 CA HIS A 101 -1.934 -19.743 4.524 1.00 0.00 C ATOM 1564 C HIS A 101 -1.800 -19.167 3.086 1.00 0.00 C ATOM 1565 O HIS A 101 -0.988 -18.254 2.850 1.00 0.00 O ATOM 1566 CB HIS A 101 -1.276 -18.844 5.620 1.00 0.00 C ATOM 1567 CG HIS A 101 -1.997 -17.563 5.917 1.00 0.00 C ATOM 1568 ND1 HIS A 101 -1.365 -16.341 5.999 1.00 0.00 N ATOM 1569 CD2 HIS A 101 -3.293 -17.327 6.201 1.00 0.00 C ATOM 1570 CE1 HIS A 101 -2.239 -15.419 6.334 1.00 0.00 C ATOM 1571 NE2 HIS A 101 -3.415 -15.989 6.461 1.00 0.00 N ATOM 1572 OXT HIS A 101 -2.502 -19.664 2.175 1.00 0.00 O ATOM 0 H HIS A 101 -0.275 -21.021 4.444 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.001 -19.798 4.741 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -1.200 -19.421 6.542 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -0.259 -18.605 5.308 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -4.088 -18.058 6.220 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -2.026 -14.370 6.480 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -4.280 -15.511 6.713 1.00 0.00 H new TER 1581 HIS A 101 HETATM 1582 P24 PNS A 102 14.378 10.907 0.581 1.00 0.00 P HETATM 1583 O25 PNS A 102 15.194 12.090 0.908 1.00 0.00 O HETATM 1584 O26 PNS A 102 14.301 10.488 -0.829 1.00 0.00 O HETATM 1585 O27 PNS A 102 14.751 9.663 1.526 1.00 0.00 O HETATM 1586 C28 PNS A 102 14.674 9.754 2.967 1.00 0.00 C HETATM 1587 C29 PNS A 102 15.347 8.516 3.662 1.00 0.00 C HETATM 1588 C30 PNS A 102 14.594 7.209 3.226 1.00 0.00 C HETATM 1589 C31 PNS A 102 15.239 8.694 5.208 1.00 0.00 C HETATM 1590 C32 PNS A 102 16.861 8.462 3.189 1.00 0.00 C HETATM 1591 O33 PNS A 102 17.520 9.713 3.457 1.00 0.00 O HETATM 1592 C34 PNS A 102 17.672 7.330 3.853 1.00 0.00 C HETATM 1593 O35 PNS A 102 17.856 6.266 3.257 1.00 0.00 O HETATM 1594 N36 PNS A 102 18.155 7.576 5.091 1.00 0.00 N HETATM 1595 C37 PNS A 102 18.951 6.587 5.846 1.00 0.00 C HETATM 1596 C38 PNS A 102 19.361 7.077 7.246 1.00 0.00 C HETATM 1597 C39 PNS A 102 18.209 7.109 8.266 1.00 0.00 C HETATM 1598 O40 PNS A 102 18.115 6.223 9.128 1.00 0.00 O HETATM 1599 N41 PNS A 102 17.318 8.121 8.157 1.00 0.00 N HETATM 1600 C42 PNS A 102 16.156 8.289 9.072 1.00 0.00 C HETATM 1601 C43 PNS A 102 14.928 7.441 8.681 1.00 0.00 C HETATM 1602 S44 PNS A 102 15.259 5.674 8.567 1.00 0.00 S HETATM 0 H432 PNS A 102 14.138 7.605 9.414 1.00 0.00 H new HETATM 0 H431 PNS A 102 14.549 7.791 7.721 1.00 0.00 H new HETATM 0 H422 PNS A 102 15.869 9.340 9.090 1.00 0.00 H new HETATM 0 H421 PNS A 102 16.461 8.024 10.084 1.00 0.00 H new HETATM 0 H382 PNS A 102 19.782 8.079 7.159 1.00 0.00 H new HETATM 0 H381 PNS A 102 20.151 6.431 7.628 1.00 0.00 H new HETATM 0 H372 PNS A 102 19.848 6.342 5.277 1.00 0.00 H new HETATM 0 H371 PNS A 102 18.375 5.667 5.945 1.00 0.00 H new HETATM 0 H313 PNS A 102 15.702 7.842 5.706 1.00 0.00 H new HETATM 0 H312 PNS A 102 14.189 8.755 5.495 1.00 0.00 H new HETATM 0 H311 PNS A 102 15.750 9.610 5.505 1.00 0.00 H new HETATM 0 H303 PNS A 102 15.056 6.346 3.705 1.00 0.00 H new HETATM 0 H302 PNS A 102 14.654 7.099 2.143 1.00 0.00 H new HETATM 0 H301 PNS A 102 13.548 7.274 3.527 1.00 0.00 H new HETATM 0 H282 PNS A 102 13.630 9.820 3.273 1.00 0.00 H new HETATM 0 H281 PNS A 102 15.163 10.669 3.301 1.00 0.00 H new HETATM 0 H44 PNS A 102 16.496 5.442 8.893 1.00 0.00 H new HETATM 0 H41 PNS A 102 17.449 8.803 7.410 1.00 0.00 H new HETATM 0 H36 PNS A 102 17.962 8.481 5.521 1.00 0.00 H new HETATM 0 H33 PNS A 102 18.453 9.662 3.161 1.00 0.00 H new HETATM 0 H32 PNS A 102 16.826 8.263 2.118 1.00 0.00 H new