USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 752 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 62 SER OG : rot 180:sc=-0.00294 USER MOD Set 2.1: A 40 ASN : amide:sc= -0.808 K(o=-1.2,f=-5.6!) USER MOD Set 2.2: A 59 GLN : amide:sc= -0.371 X(o=-1.2,f=-0.81) USER MOD Set 3.1: A 3 HIS : no HD1:sc= -2.07 X(o=-2.8,f=-3!) USER MOD Set 3.2: A 5 HIS : no HD1:sc= -0.762 K(o=-2.8,f=-8.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.111) USER MOD Single : A 4 HIS : no HD1:sc=-0.00285 X(o=-0.0028,f=-0.14) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.00033) USER MOD Single : A 7 HIS : no HD1:sc= -0.289 X(o=-0.29,f=0.00055) USER MOD Single : A 8 HIS : no HD1:sc= -0.194 X(o=-0.19,f=-0.0052) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.321 USER MOD Single : A 16 ASN : amide:sc= 0.033 K(o=0.033,f=-1.8!) USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.65 F(o=-1.2,f=-0.65) USER MOD Single : A 21 THR OG1 : rot -110:sc= -1.18 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00821 USER MOD Single : A 31 SER OG : rot 180:sc= -0.471 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0332 USER MOD Single : A 39 ASN : amide:sc= -0.92 K(o=-0.92,f=-3.2!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.0606 X(o=-0.061,f=-0.51) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0653 USER MOD Single : A 50 GLN : amide:sc= -6.98! C(o=-7!,f=-11!) USER MOD Single : A 51 GLN :FLIP amide:sc= -6.94! C(o=-7.8!,f=-6.9!) USER MOD Single : A 52 ASN : amide:sc= -4.37! C(o=-4.4!,f=-16!) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -50:sc= 1.16 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.0928 F(o=-0.61,f=-0.093) USER MOD Single : A 74 GLN : amide:sc= -3.35 X(o=-3.4,f=-3.7) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 81 LYS NZ :NH3+ 160:sc= -1.5 (180deg=-2.26) USER MOD Single : A 85 LYS NZ :NH3+ -158:sc= -0.0289 (180deg=-0.294) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot -66:sc= 0.287 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.928 11.316 -10.887 1.00 1.00 N ATOM 2 CA MET A 1 17.351 10.837 -9.541 1.00 1.00 C ATOM 3 C MET A 1 16.118 10.635 -8.664 1.00 1.00 C ATOM 4 O MET A 1 15.798 9.512 -8.276 1.00 1.00 O ATOM 5 CB MET A 1 18.279 11.872 -8.901 1.00 1.00 C ATOM 6 CG MET A 1 19.622 11.874 -9.636 1.00 1.00 C ATOM 7 SD MET A 1 20.782 12.960 -8.769 1.00 1.00 S ATOM 8 CE MET A 1 22.234 11.886 -8.892 1.00 1.00 C ATOM 0 H1 MET A 1 17.741 11.293 -11.535 1.00 1.00 H new ATOM 0 H2 MET A 1 16.175 10.700 -11.254 1.00 1.00 H new ATOM 0 H3 MET A 1 16.573 12.291 -10.813 1.00 1.00 H new ATOM 0 HA MET A 1 17.882 9.890 -9.639 1.00 1.00 H new ATOM 0 HB2 MET A 1 17.825 12.862 -8.948 1.00 1.00 H new ATOM 0 HB3 MET A 1 18.429 11.639 -7.847 1.00 1.00 H new ATOM 0 HG2 MET A 1 20.023 10.862 -9.686 1.00 1.00 H new ATOM 0 HG3 MET A 1 19.486 12.214 -10.663 1.00 1.00 H new ATOM 0 HE1 MET A 1 23.085 12.369 -8.412 1.00 1.00 H new ATOM 0 HE2 MET A 1 22.028 10.937 -8.397 1.00 1.00 H new ATOM 0 HE3 MET A 1 22.464 11.705 -9.942 1.00 1.00 H new ATOM 20 N GLY A 2 15.429 11.731 -8.359 1.00 1.00 N ATOM 21 CA GLY A 2 14.233 11.660 -7.528 1.00 1.00 C ATOM 22 C GLY A 2 14.146 12.864 -6.596 1.00 1.00 C ATOM 23 O GLY A 2 15.158 13.335 -6.078 1.00 1.00 O ATOM 0 H GLY A 2 15.676 12.670 -8.672 1.00 1.00 H new ATOM 0 HA2 GLY A 2 13.347 11.621 -8.162 1.00 1.00 H new ATOM 0 HA3 GLY A 2 14.247 10.741 -6.942 1.00 1.00 H new ATOM 27 N HIS A 3 12.929 13.356 -6.387 1.00 1.00 N ATOM 28 CA HIS A 3 12.720 14.506 -5.512 1.00 1.00 C ATOM 29 C HIS A 3 12.407 14.049 -4.092 1.00 1.00 C ATOM 30 O HIS A 3 12.602 12.883 -3.748 1.00 1.00 O ATOM 31 CB HIS A 3 11.567 15.360 -6.043 1.00 1.00 C ATOM 32 CG HIS A 3 10.343 14.504 -6.210 1.00 1.00 C ATOM 33 ND1 HIS A 3 9.699 13.915 -5.133 1.00 1.00 N ATOM 34 CD2 HIS A 3 9.634 14.125 -7.323 1.00 1.00 C ATOM 35 CE1 HIS A 3 8.652 13.221 -5.616 1.00 1.00 C ATOM 36 NE2 HIS A 3 8.567 13.315 -6.946 1.00 1.00 N ATOM 0 H HIS A 3 12.079 12.981 -6.807 1.00 1.00 H new ATOM 0 HA HIS A 3 13.634 15.099 -5.495 1.00 1.00 H new ATOM 0 HB2 HIS A 3 11.360 16.179 -5.354 1.00 1.00 H new ATOM 0 HB3 HIS A 3 11.843 15.809 -6.997 1.00 1.00 H new ATOM 0 HD2 HIS A 3 9.869 14.412 -8.337 1.00 1.00 H new ATOM 0 HE1 HIS A 3 7.964 12.657 -5.003 1.00 1.00 H new ATOM 0 HE2 HIS A 3 7.870 12.885 -7.554 1.00 1.00 H new ATOM 44 N HIS A 4 11.920 14.974 -3.271 1.00 1.00 N ATOM 45 CA HIS A 4 11.583 14.655 -1.889 1.00 1.00 C ATOM 46 C HIS A 4 10.266 15.311 -1.491 1.00 1.00 C ATOM 47 O HIS A 4 10.190 16.531 -1.339 1.00 1.00 O ATOM 48 CB HIS A 4 12.696 15.134 -0.955 1.00 1.00 C ATOM 49 CG HIS A 4 13.482 13.951 -0.460 1.00 1.00 C ATOM 50 ND1 HIS A 4 12.928 12.995 0.379 1.00 1.00 N ATOM 51 CD2 HIS A 4 14.777 13.554 -0.676 1.00 1.00 C ATOM 52 CE1 HIS A 4 13.880 12.079 0.633 1.00 1.00 C ATOM 53 NE2 HIS A 4 15.027 12.372 0.015 1.00 1.00 N ATOM 0 H HIS A 4 11.751 15.944 -3.537 1.00 1.00 H new ATOM 0 HA HIS A 4 11.477 13.574 -1.803 1.00 1.00 H new ATOM 0 HB2 HIS A 4 13.354 15.826 -1.481 1.00 1.00 H new ATOM 0 HB3 HIS A 4 12.269 15.678 -0.113 1.00 1.00 H new ATOM 0 HD2 HIS A 4 15.494 14.079 -1.289 1.00 1.00 H new ATOM 0 HE1 HIS A 4 13.734 11.212 1.260 1.00 1.00 H new ATOM 0 HE2 HIS A 4 15.899 11.843 0.043 1.00 1.00 H new ATOM 61 N HIS A 5 9.230 14.495 -1.325 1.00 1.00 N ATOM 62 CA HIS A 5 7.919 15.009 -0.947 1.00 1.00 C ATOM 63 C HIS A 5 7.846 15.227 0.562 1.00 1.00 C ATOM 64 O HIS A 5 7.876 14.273 1.340 1.00 1.00 O ATOM 65 CB HIS A 5 6.829 14.024 -1.374 1.00 1.00 C ATOM 66 CG HIS A 5 6.106 14.568 -2.577 1.00 1.00 C ATOM 67 ND1 HIS A 5 6.707 14.652 -3.823 1.00 1.00 N ATOM 68 CD2 HIS A 5 4.834 15.057 -2.738 1.00 1.00 C ATOM 69 CE1 HIS A 5 5.803 15.175 -4.673 1.00 1.00 C ATOM 70 NE2 HIS A 5 4.644 15.440 -4.063 1.00 1.00 N ATOM 0 H HIS A 5 9.272 13.483 -1.445 1.00 1.00 H new ATOM 0 HA HIS A 5 7.764 15.963 -1.450 1.00 1.00 H new ATOM 0 HB2 HIS A 5 7.271 13.055 -1.609 1.00 1.00 H new ATOM 0 HB3 HIS A 5 6.127 13.864 -0.556 1.00 1.00 H new ATOM 0 HD2 HIS A 5 4.093 15.133 -1.956 1.00 1.00 H new ATOM 0 HE1 HIS A 5 5.992 15.358 -5.721 1.00 1.00 H new ATOM 0 HE2 HIS A 5 3.802 15.837 -4.479 1.00 1.00 H new ATOM 78 N HIS A 6 7.748 16.488 0.969 1.00 1.00 N ATOM 79 CA HIS A 6 7.671 16.820 2.387 1.00 1.00 C ATOM 80 C HIS A 6 6.224 17.065 2.801 1.00 1.00 C ATOM 81 O HIS A 6 5.953 17.862 3.700 1.00 1.00 O ATOM 82 CB HIS A 6 8.507 18.067 2.678 1.00 1.00 C ATOM 83 CG HIS A 6 9.279 17.867 3.953 1.00 1.00 C ATOM 84 ND1 HIS A 6 10.656 17.710 3.967 1.00 1.00 N ATOM 85 CD2 HIS A 6 8.880 17.793 5.265 1.00 1.00 C ATOM 86 CE1 HIS A 6 11.034 17.552 5.248 1.00 1.00 C ATOM 87 NE2 HIS A 6 9.990 17.595 6.081 1.00 1.00 N ATOM 0 H HIS A 6 7.720 17.292 0.342 1.00 1.00 H new ATOM 0 HA HIS A 6 8.063 15.980 2.960 1.00 1.00 H new ATOM 0 HB2 HIS A 6 9.192 18.260 1.852 1.00 1.00 H new ATOM 0 HB3 HIS A 6 7.860 18.940 2.765 1.00 1.00 H new ATOM 0 HD2 HIS A 6 7.860 17.876 5.611 1.00 1.00 H new ATOM 0 HE1 HIS A 6 12.056 17.408 5.565 1.00 1.00 H new ATOM 0 HE2 HIS A 6 10.004 17.503 7.097 1.00 1.00 H new ATOM 95 N HIS A 7 5.300 16.375 2.142 1.00 1.00 N ATOM 96 CA HIS A 7 3.883 16.527 2.453 1.00 1.00 C ATOM 97 C HIS A 7 3.515 15.710 3.688 1.00 1.00 C ATOM 98 O HIS A 7 4.389 15.272 4.436 1.00 1.00 O ATOM 99 CB HIS A 7 3.035 16.068 1.265 1.00 1.00 C ATOM 100 CG HIS A 7 2.024 17.130 0.928 1.00 1.00 C ATOM 101 ND1 HIS A 7 1.839 17.591 -0.365 1.00 1.00 N ATOM 102 CD2 HIS A 7 1.137 17.831 1.707 1.00 1.00 C ATOM 103 CE1 HIS A 7 0.875 18.527 -0.329 1.00 1.00 C ATOM 104 NE2 HIS A 7 0.412 18.713 0.911 1.00 1.00 N ATOM 0 H HIS A 7 5.503 15.710 1.395 1.00 1.00 H new ATOM 0 HA HIS A 7 3.686 17.580 2.655 1.00 1.00 H new ATOM 0 HB2 HIS A 7 3.673 15.872 0.403 1.00 1.00 H new ATOM 0 HB3 HIS A 7 2.529 15.133 1.506 1.00 1.00 H new ATOM 0 HD2 HIS A 7 1.020 17.716 2.774 1.00 1.00 H new ATOM 0 HE1 HIS A 7 0.518 19.063 -1.196 1.00 1.00 H new ATOM 0 HE2 HIS A 7 -0.316 19.362 1.210 1.00 1.00 H new ATOM 112 N HIS A 8 2.217 15.511 3.893 1.00 1.00 N ATOM 113 CA HIS A 8 1.746 14.745 5.041 1.00 1.00 C ATOM 114 C HIS A 8 1.483 13.295 4.645 1.00 1.00 C ATOM 115 O HIS A 8 0.704 13.023 3.732 1.00 1.00 O ATOM 116 CB HIS A 8 0.460 15.366 5.590 1.00 1.00 C ATOM 117 CG HIS A 8 0.779 16.182 6.812 1.00 1.00 C ATOM 118 ND1 HIS A 8 0.373 17.501 6.948 1.00 1.00 N ATOM 119 CD2 HIS A 8 1.463 15.881 7.963 1.00 1.00 C ATOM 120 CE1 HIS A 8 0.813 17.940 8.141 1.00 1.00 C ATOM 121 NE2 HIS A 8 1.484 16.992 8.802 1.00 1.00 N ATOM 0 H HIS A 8 1.479 15.866 3.285 1.00 1.00 H new ATOM 0 HA HIS A 8 2.518 14.766 5.810 1.00 1.00 H new ATOM 0 HB2 HIS A 8 -0.006 15.995 4.831 1.00 1.00 H new ATOM 0 HB3 HIS A 8 -0.257 14.584 5.839 1.00 1.00 H new ATOM 0 HD2 HIS A 8 1.917 14.926 8.185 1.00 1.00 H new ATOM 0 HE1 HIS A 8 0.644 18.938 8.519 1.00 1.00 H new ATOM 0 HE2 HIS A 8 1.918 17.066 9.722 1.00 1.00 H new ATOM 129 N MET A 9 2.139 12.370 5.340 1.00 1.00 N ATOM 130 CA MET A 9 1.972 10.947 5.056 1.00 1.00 C ATOM 131 C MET A 9 2.354 10.639 3.611 1.00 1.00 C ATOM 132 O MET A 9 2.148 11.459 2.716 1.00 1.00 O ATOM 133 CB MET A 9 0.521 10.523 5.306 1.00 1.00 C ATOM 134 CG MET A 9 0.452 9.633 6.549 1.00 1.00 C ATOM 135 SD MET A 9 1.149 10.520 7.966 1.00 1.00 S ATOM 136 CE MET A 9 0.330 9.555 9.261 1.00 1.00 C ATOM 0 H MET A 9 2.787 12.578 6.099 1.00 1.00 H new ATOM 0 HA MET A 9 2.629 10.387 5.721 1.00 1.00 H new ATOM 0 HB2 MET A 9 -0.107 11.403 5.442 1.00 1.00 H new ATOM 0 HB3 MET A 9 0.134 9.986 4.440 1.00 1.00 H new ATOM 0 HG2 MET A 9 -0.582 9.355 6.753 1.00 1.00 H new ATOM 0 HG3 MET A 9 1.003 8.708 6.378 1.00 1.00 H new ATOM 0 HE1 MET A 9 0.622 9.937 10.239 1.00 1.00 H new ATOM 0 HE2 MET A 9 -0.751 9.637 9.147 1.00 1.00 H new ATOM 0 HE3 MET A 9 0.625 8.509 9.177 1.00 1.00 H new ATOM 146 N ASP A 10 2.912 9.453 3.392 1.00 1.00 N ATOM 147 CA ASP A 10 3.320 9.047 2.052 1.00 1.00 C ATOM 148 C ASP A 10 3.762 7.586 2.041 1.00 1.00 C ATOM 149 O ASP A 10 4.647 7.200 1.277 1.00 1.00 O ATOM 150 CB ASP A 10 4.468 9.934 1.562 1.00 1.00 C ATOM 151 CG ASP A 10 4.858 9.546 0.141 1.00 1.00 C ATOM 152 OD1 ASP A 10 4.136 8.766 -0.457 1.00 1.00 O ATOM 153 OD2 ASP A 10 5.875 10.031 -0.327 1.00 1.00 O ATOM 0 H ASP A 10 3.091 8.761 4.119 1.00 1.00 H new ATOM 0 HA ASP A 10 2.465 9.159 1.386 1.00 1.00 H new ATOM 0 HB2 ASP A 10 4.167 10.981 1.592 1.00 1.00 H new ATOM 0 HB3 ASP A 10 5.327 9.830 2.225 1.00 1.00 H new ATOM 158 N THR A 11 3.141 6.781 2.894 1.00 1.00 N ATOM 159 CA THR A 11 3.476 5.364 2.974 1.00 1.00 C ATOM 160 C THR A 11 2.277 4.559 3.462 1.00 1.00 C ATOM 161 O THR A 11 1.684 4.875 4.494 1.00 1.00 O ATOM 162 CB THR A 11 4.655 5.161 3.931 1.00 1.00 C ATOM 163 OG1 THR A 11 5.681 6.093 3.618 1.00 1.00 O ATOM 164 CG2 THR A 11 5.196 3.738 3.792 1.00 1.00 C ATOM 0 H THR A 11 2.408 7.082 3.536 1.00 1.00 H new ATOM 0 HA THR A 11 3.752 5.016 1.979 1.00 1.00 H new ATOM 0 HB THR A 11 4.319 5.317 4.956 1.00 1.00 H new ATOM 0 HG1 THR A 11 6.436 5.966 4.230 1.00 1.00 H new ATOM 0 HG21 THR A 11 6.034 3.599 4.475 1.00 1.00 H new ATOM 0 HG22 THR A 11 4.409 3.024 4.034 1.00 1.00 H new ATOM 0 HG23 THR A 11 5.531 3.575 2.768 1.00 1.00 H new ATOM 172 N ILE A 12 1.928 3.518 2.714 1.00 1.00 N ATOM 173 CA ILE A 12 0.798 2.668 3.075 1.00 1.00 C ATOM 174 C ILE A 12 1.290 1.324 3.601 1.00 1.00 C ATOM 175 O ILE A 12 2.178 0.706 3.014 1.00 1.00 O ATOM 176 CB ILE A 12 -0.099 2.446 1.857 1.00 1.00 C ATOM 177 CG1 ILE A 12 0.771 2.267 0.611 1.00 1.00 C ATOM 178 CG2 ILE A 12 -1.015 3.656 1.668 1.00 1.00 C ATOM 179 CD1 ILE A 12 0.048 1.363 -0.391 1.00 1.00 C ATOM 0 H ILE A 12 2.409 3.243 1.857 1.00 1.00 H new ATOM 0 HA ILE A 12 0.226 3.166 3.858 1.00 1.00 H new ATOM 0 HB ILE A 12 -0.705 1.553 2.011 1.00 1.00 H new ATOM 0 HG12 ILE A 12 0.980 3.236 0.158 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.731 1.830 0.885 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -1.654 3.497 0.799 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -1.635 3.785 2.555 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -0.410 4.550 1.514 1.00 1.00 H new ATOM 0 HD11 ILE A 12 0.667 1.235 -1.279 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -0.138 0.390 0.065 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -0.901 1.819 -0.673 1.00 1.00 H new ATOM 191 N ILE A 13 0.703 0.878 4.708 1.00 1.00 N ATOM 192 CA ILE A 13 1.084 -0.395 5.311 1.00 1.00 C ATOM 193 C ILE A 13 -0.044 -1.411 5.167 1.00 1.00 C ATOM 194 O ILE A 13 -1.203 -1.112 5.456 1.00 1.00 O ATOM 195 CB ILE A 13 1.405 -0.197 6.793 1.00 1.00 C ATOM 196 CG1 ILE A 13 2.718 0.579 6.930 1.00 1.00 C ATOM 197 CG2 ILE A 13 1.545 -1.560 7.472 1.00 1.00 C ATOM 198 CD1 ILE A 13 2.890 1.041 8.379 1.00 1.00 C ATOM 0 H ILE A 13 -0.035 1.377 5.204 1.00 1.00 H new ATOM 0 HA ILE A 13 1.968 -0.770 4.795 1.00 1.00 H new ATOM 0 HB ILE A 13 0.600 0.363 7.268 1.00 1.00 H new ATOM 0 HG12 ILE A 13 3.557 -0.051 6.636 1.00 1.00 H new ATOM 0 HG13 ILE A 13 2.716 1.439 6.261 1.00 1.00 H new ATOM 0 HG21 ILE A 13 1.774 -1.419 8.528 1.00 1.00 H new ATOM 0 HG22 ILE A 13 0.611 -2.113 7.374 1.00 1.00 H new ATOM 0 HG23 ILE A 13 2.350 -2.121 6.998 1.00 1.00 H new ATOM 0 HD11 ILE A 13 3.825 1.593 8.476 1.00 1.00 H new ATOM 0 HD12 ILE A 13 2.057 1.686 8.656 1.00 1.00 H new ATOM 0 HD13 ILE A 13 2.911 0.173 9.038 1.00 1.00 H new ATOM 210 N LEU A 14 0.302 -2.614 4.722 1.00 1.00 N ATOM 211 CA LEU A 14 -0.691 -3.664 4.545 1.00 1.00 C ATOM 212 C LEU A 14 -0.867 -4.456 5.838 1.00 1.00 C ATOM 213 O LEU A 14 0.096 -4.692 6.567 1.00 1.00 O ATOM 214 CB LEU A 14 -0.257 -4.604 3.418 1.00 1.00 C ATOM 215 CG LEU A 14 0.311 -3.784 2.260 1.00 1.00 C ATOM 216 CD1 LEU A 14 0.582 -4.703 1.068 1.00 1.00 C ATOM 217 CD2 LEU A 14 -0.699 -2.709 1.855 1.00 1.00 C ATOM 0 H LEU A 14 1.255 -2.884 4.479 1.00 1.00 H new ATOM 0 HA LEU A 14 -1.644 -3.203 4.285 1.00 1.00 H new ATOM 0 HB2 LEU A 14 0.493 -5.305 3.784 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -1.106 -5.196 3.076 1.00 1.00 H new ATOM 0 HG LEU A 14 1.242 -3.311 2.572 1.00 1.00 H new ATOM 0 HD11 LEU A 14 0.987 -4.118 0.242 1.00 1.00 H new ATOM 0 HD12 LEU A 14 1.301 -5.470 1.356 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -0.348 -5.177 0.755 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -0.295 -2.123 1.029 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -1.630 -3.183 1.543 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -0.893 -2.054 2.704 1.00 1.00 H new ATOM 229 N ARG A 15 -2.106 -4.861 6.114 1.00 1.00 N ATOM 230 CA ARG A 15 -2.408 -5.620 7.322 1.00 1.00 C ATOM 231 C ARG A 15 -3.091 -6.937 6.966 1.00 1.00 C ATOM 232 O ARG A 15 -3.846 -7.008 5.999 1.00 1.00 O ATOM 233 CB ARG A 15 -3.313 -4.790 8.238 1.00 1.00 C ATOM 234 CG ARG A 15 -4.156 -5.706 9.131 1.00 1.00 C ATOM 235 CD ARG A 15 -4.698 -4.900 10.315 1.00 1.00 C ATOM 236 NE ARG A 15 -3.753 -4.948 11.424 1.00 1.00 N ATOM 237 CZ ARG A 15 -3.785 -4.045 12.399 1.00 1.00 C ATOM 238 NH1 ARG A 15 -4.684 -3.099 12.381 1.00 1.00 N ATOM 239 NH2 ARG A 15 -2.918 -4.104 13.372 1.00 1.00 N ATOM 0 H ARG A 15 -2.913 -4.676 5.518 1.00 1.00 H new ATOM 0 HA ARG A 15 -1.476 -5.843 7.842 1.00 1.00 H new ATOM 0 HB2 ARG A 15 -2.706 -4.128 8.856 1.00 1.00 H new ATOM 0 HB3 ARG A 15 -3.966 -4.156 7.637 1.00 1.00 H new ATOM 0 HG2 ARG A 15 -4.980 -6.132 8.559 1.00 1.00 H new ATOM 0 HG3 ARG A 15 -3.552 -6.539 9.490 1.00 1.00 H new ATOM 0 HD2 ARG A 15 -4.867 -3.866 10.015 1.00 1.00 H new ATOM 0 HD3 ARG A 15 -5.661 -5.302 10.629 1.00 1.00 H new ATOM 0 HE ARG A 15 -3.053 -5.689 11.452 1.00 1.00 H new ATOM 0 HH11 ARG A 15 -5.361 -3.053 11.619 1.00 1.00 H new ATOM 0 HH12 ARG A 15 -4.710 -2.406 13.129 1.00 1.00 H new ATOM 0 HH21 ARG A 15 -2.215 -4.843 13.385 1.00 1.00 H new ATOM 0 HH22 ARG A 15 -2.943 -3.411 14.120 1.00 1.00 H new ATOM 253 N ASN A 16 -2.815 -7.968 7.761 1.00 1.00 N ATOM 254 CA ASN A 16 -3.397 -9.288 7.546 1.00 1.00 C ATOM 255 C ASN A 16 -2.665 -10.031 6.432 1.00 1.00 C ATOM 256 O ASN A 16 -3.283 -10.506 5.480 1.00 1.00 O ATOM 257 CB ASN A 16 -4.875 -9.154 7.192 1.00 1.00 C ATOM 258 CG ASN A 16 -5.628 -10.414 7.594 1.00 1.00 C ATOM 259 OD1 ASN A 16 -5.378 -10.975 8.661 1.00 1.00 O ATOM 260 ND2 ASN A 16 -6.544 -10.896 6.800 1.00 1.00 N ATOM 0 H ASN A 16 -2.188 -7.913 8.564 1.00 1.00 H new ATOM 0 HA ASN A 16 -3.295 -9.861 8.468 1.00 1.00 H new ATOM 0 HB2 ASN A 16 -5.301 -8.289 7.700 1.00 1.00 H new ATOM 0 HB3 ASN A 16 -4.986 -8.981 6.122 1.00 1.00 H new ATOM 0 HD21 ASN A 16 -7.055 -11.739 7.063 1.00 1.00 H new ATOM 0 HD22 ASN A 16 -6.750 -10.430 5.916 1.00 1.00 H new ATOM 267 N ILE A 17 -1.346 -10.131 6.560 1.00 1.00 N ATOM 268 CA ILE A 17 -0.540 -10.819 5.557 1.00 1.00 C ATOM 269 C ILE A 17 -0.221 -12.241 6.002 1.00 1.00 C ATOM 270 O ILE A 17 0.239 -12.464 7.120 1.00 1.00 O ATOM 271 CB ILE A 17 0.768 -10.058 5.327 1.00 1.00 C ATOM 272 CG1 ILE A 17 0.478 -8.566 5.134 1.00 1.00 C ATOM 273 CG2 ILE A 17 1.472 -10.615 4.089 1.00 1.00 C ATOM 274 CD1 ILE A 17 -0.600 -8.375 4.065 1.00 1.00 C ATOM 0 H ILE A 17 -0.815 -9.748 7.342 1.00 1.00 H new ATOM 0 HA ILE A 17 -1.112 -10.859 4.630 1.00 1.00 H new ATOM 0 HB ILE A 17 1.414 -10.182 6.196 1.00 1.00 H new ATOM 0 HG12 ILE A 17 0.149 -8.126 6.076 1.00 1.00 H new ATOM 0 HG13 ILE A 17 1.389 -8.045 4.840 1.00 1.00 H new ATOM 0 HG21 ILE A 17 2.403 -10.073 3.925 1.00 1.00 H new ATOM 0 HG22 ILE A 17 1.689 -11.673 4.239 1.00 1.00 H new ATOM 0 HG23 ILE A 17 0.826 -10.497 3.219 1.00 1.00 H new ATOM 0 HD11 ILE A 17 -0.799 -7.311 3.935 1.00 1.00 H new ATOM 0 HD12 ILE A 17 -0.255 -8.798 3.121 1.00 1.00 H new ATOM 0 HD13 ILE A 17 -1.514 -8.880 4.376 1.00 1.00 H new ATOM 286 N ALA A 18 -0.461 -13.201 5.114 1.00 1.00 N ATOM 287 CA ALA A 18 -0.184 -14.598 5.428 1.00 1.00 C ATOM 288 C ALA A 18 1.326 -14.837 5.478 1.00 1.00 C ATOM 289 O ALA A 18 2.099 -14.060 4.917 1.00 1.00 O ATOM 290 CB ALA A 18 -0.814 -15.508 4.371 1.00 1.00 C ATOM 0 H ALA A 18 -0.842 -13.040 4.182 1.00 1.00 H new ATOM 0 HA ALA A 18 -0.614 -14.829 6.402 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -0.602 -16.549 4.614 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -1.893 -15.352 4.353 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -0.397 -15.272 3.392 1.00 1.00 H new ATOM 296 N PRO A 19 1.759 -15.886 6.130 1.00 1.00 N ATOM 297 CA PRO A 19 3.212 -16.218 6.245 1.00 1.00 C ATOM 298 C PRO A 19 3.794 -16.726 4.927 1.00 1.00 C ATOM 299 O PRO A 19 4.970 -17.079 4.855 1.00 1.00 O ATOM 300 CB PRO A 19 3.248 -17.314 7.311 1.00 1.00 C ATOM 301 CG PRO A 19 1.904 -17.959 7.257 1.00 1.00 C ATOM 302 CD PRO A 19 0.918 -16.871 6.832 1.00 1.00 C ATOM 0 HA PRO A 19 3.811 -15.344 6.501 1.00 1.00 H new ATOM 0 HB2 PRO A 19 4.039 -18.035 7.107 1.00 1.00 H new ATOM 0 HB3 PRO A 19 3.445 -16.896 8.298 1.00 1.00 H new ATOM 0 HG2 PRO A 19 1.899 -18.786 6.547 1.00 1.00 H new ATOM 0 HG3 PRO A 19 1.632 -18.371 8.229 1.00 1.00 H new ATOM 0 HD2 PRO A 19 0.140 -17.269 6.180 1.00 1.00 H new ATOM 0 HD3 PRO A 19 0.417 -16.428 7.692 1.00 1.00 H new ATOM 310 N HIS A 20 2.957 -16.765 3.894 1.00 1.00 N ATOM 311 CA HIS A 20 3.391 -17.237 2.581 1.00 1.00 C ATOM 312 C HIS A 20 3.444 -16.086 1.581 1.00 1.00 C ATOM 313 O HIS A 20 3.364 -16.298 0.371 1.00 1.00 O ATOM 314 CB HIS A 20 2.419 -18.304 2.075 1.00 1.00 C ATOM 315 CG HIS A 20 3.011 -19.005 0.884 1.00 1.00 C ATOM 316 ND1 HIS A 20 2.770 -18.886 -0.464 1.00 1.00 N flip ATOM 317 CD2 HIS A 20 3.982 -19.986 1.008 1.00 1.00 C flip ATOM 318 CE1 HIS A 20 3.579 -19.777 -1.164 1.00 1.00 C flip ATOM 319 NE2 HIS A 20 4.289 -20.415 -0.229 1.00 1.00 N flip ATOM 0 H HIS A 20 1.979 -16.477 3.939 1.00 1.00 H new ATOM 0 HA HIS A 20 4.391 -17.660 2.679 1.00 1.00 H new ATOM 0 HB2 HIS A 20 2.210 -19.024 2.866 1.00 1.00 H new ATOM 0 HB3 HIS A 20 1.469 -17.844 1.803 1.00 1.00 H new ATOM 0 HD2 HIS A 20 4.414 -20.342 1.932 1.00 1.00 H new ATOM 0 HE1 HIS A 20 3.623 -19.921 -2.233 1.00 1.00 H new ATOM 0 HE2 HIS A 20 4.979 -21.139 -0.429 1.00 1.00 H new ATOM 327 N THR A 21 3.577 -14.869 2.094 1.00 1.00 N ATOM 328 CA THR A 21 3.635 -13.691 1.238 1.00 1.00 C ATOM 329 C THR A 21 5.068 -13.412 0.795 1.00 1.00 C ATOM 330 O THR A 21 6.009 -13.563 1.571 1.00 1.00 O ATOM 331 CB THR A 21 3.083 -12.475 1.983 1.00 1.00 C ATOM 332 OG1 THR A 21 1.675 -12.604 2.113 1.00 1.00 O ATOM 333 CG2 THR A 21 3.411 -11.202 1.201 1.00 1.00 C ATOM 0 H THR A 21 3.646 -14.673 3.092 1.00 1.00 H new ATOM 0 HA THR A 21 3.028 -13.882 0.353 1.00 1.00 H new ATOM 0 HB THR A 21 3.537 -12.416 2.972 1.00 1.00 H new ATOM 0 HG1 THR A 21 1.232 -11.942 1.542 1.00 1.00 H new ATOM 0 HG21 THR A 21 3.017 -10.336 1.733 1.00 1.00 H new ATOM 0 HG22 THR A 21 4.492 -11.105 1.101 1.00 1.00 H new ATOM 0 HG23 THR A 21 2.958 -11.256 0.211 1.00 1.00 H new ATOM 341 N VAL A 22 5.220 -12.994 -0.458 1.00 1.00 N ATOM 342 CA VAL A 22 6.539 -12.685 -0.999 1.00 1.00 C ATOM 343 C VAL A 22 6.499 -11.374 -1.778 1.00 1.00 C ATOM 344 O VAL A 22 5.520 -11.081 -2.465 1.00 1.00 O ATOM 345 CB VAL A 22 7.008 -13.814 -1.916 1.00 1.00 C ATOM 346 CG1 VAL A 22 8.015 -14.693 -1.172 1.00 1.00 C ATOM 347 CG2 VAL A 22 5.806 -14.664 -2.335 1.00 1.00 C ATOM 0 H VAL A 22 4.451 -12.862 -1.115 1.00 1.00 H new ATOM 0 HA VAL A 22 7.238 -12.583 -0.169 1.00 1.00 H new ATOM 0 HB VAL A 22 7.481 -13.388 -2.801 1.00 1.00 H new ATOM 0 HG11 VAL A 22 8.349 -15.498 -1.827 1.00 1.00 H new ATOM 0 HG12 VAL A 22 8.872 -14.090 -0.872 1.00 1.00 H new ATOM 0 HG13 VAL A 22 7.542 -15.118 -0.286 1.00 1.00 H new ATOM 0 HG21 VAL A 22 6.140 -15.469 -2.989 1.00 1.00 H new ATOM 0 HG22 VAL A 22 5.334 -15.088 -1.449 1.00 1.00 H new ATOM 0 HG23 VAL A 22 5.087 -14.040 -2.866 1.00 1.00 H new ATOM 357 N VAL A 23 7.564 -10.590 -1.665 1.00 1.00 N ATOM 358 CA VAL A 23 7.635 -9.313 -2.364 1.00 1.00 C ATOM 359 C VAL A 23 7.377 -9.502 -3.856 1.00 1.00 C ATOM 360 O VAL A 23 6.988 -8.563 -4.551 1.00 1.00 O ATOM 361 CB VAL A 23 9.015 -8.682 -2.157 1.00 1.00 C ATOM 362 CG1 VAL A 23 9.256 -7.610 -3.221 1.00 1.00 C ATOM 363 CG2 VAL A 23 9.077 -8.042 -0.769 1.00 1.00 C ATOM 0 H VAL A 23 8.384 -10.813 -1.101 1.00 1.00 H new ATOM 0 HA VAL A 23 6.869 -8.654 -1.957 1.00 1.00 H new ATOM 0 HB VAL A 23 9.781 -9.453 -2.240 1.00 1.00 H new ATOM 0 HG11 VAL A 23 10.239 -7.163 -3.071 1.00 1.00 H new ATOM 0 HG12 VAL A 23 9.211 -8.064 -4.211 1.00 1.00 H new ATOM 0 HG13 VAL A 23 8.490 -6.839 -3.140 1.00 1.00 H new ATOM 0 HG21 VAL A 23 10.058 -7.592 -0.619 1.00 1.00 H new ATOM 0 HG22 VAL A 23 8.309 -7.273 -0.688 1.00 1.00 H new ATOM 0 HG23 VAL A 23 8.908 -8.805 -0.009 1.00 1.00 H new ATOM 373 N ASP A 24 7.593 -10.720 -4.341 1.00 1.00 N ATOM 374 CA ASP A 24 7.381 -11.017 -5.753 1.00 1.00 C ATOM 375 C ASP A 24 5.917 -10.813 -6.135 1.00 1.00 C ATOM 376 O ASP A 24 5.609 -10.106 -7.094 1.00 1.00 O ATOM 377 CB ASP A 24 7.790 -12.462 -6.049 1.00 1.00 C ATOM 378 CG ASP A 24 8.231 -12.590 -7.502 1.00 1.00 C ATOM 379 OD1 ASP A 24 7.380 -12.497 -8.370 1.00 1.00 O ATOM 380 OD2 ASP A 24 9.416 -12.776 -7.727 1.00 1.00 O ATOM 0 H ASP A 24 7.912 -11.512 -3.783 1.00 1.00 H new ATOM 0 HA ASP A 24 7.995 -10.336 -6.342 1.00 1.00 H new ATOM 0 HB2 ASP A 24 8.601 -12.762 -5.386 1.00 1.00 H new ATOM 0 HB3 ASP A 24 6.954 -13.133 -5.853 1.00 1.00 H new ATOM 385 N SER A 25 5.019 -11.440 -5.381 1.00 1.00 N ATOM 386 CA SER A 25 3.591 -11.322 -5.653 1.00 1.00 C ATOM 387 C SER A 25 3.098 -9.911 -5.354 1.00 1.00 C ATOM 388 O SER A 25 2.563 -9.232 -6.228 1.00 1.00 O ATOM 389 CB SER A 25 2.814 -12.325 -4.801 1.00 1.00 C ATOM 390 OG SER A 25 3.397 -13.614 -4.941 1.00 1.00 O ATOM 0 H SER A 25 5.253 -12.031 -4.583 1.00 1.00 H new ATOM 0 HA SER A 25 3.426 -11.534 -6.709 1.00 1.00 H new ATOM 0 HB2 SER A 25 2.828 -12.019 -3.755 1.00 1.00 H new ATOM 0 HB3 SER A 25 1.769 -12.350 -5.111 1.00 1.00 H new ATOM 0 HG SER A 25 2.901 -14.258 -4.394 1.00 1.00 H new ATOM 396 N ILE A 26 3.281 -9.476 -4.111 1.00 1.00 N ATOM 397 CA ILE A 26 2.848 -8.144 -3.705 1.00 1.00 C ATOM 398 C ILE A 26 3.242 -7.107 -4.754 1.00 1.00 C ATOM 399 O ILE A 26 2.592 -6.072 -4.893 1.00 1.00 O ATOM 400 CB ILE A 26 3.481 -7.776 -2.361 1.00 1.00 C ATOM 401 CG1 ILE A 26 2.844 -8.622 -1.248 1.00 1.00 C ATOM 402 CG2 ILE A 26 3.262 -6.287 -2.079 1.00 1.00 C ATOM 403 CD1 ILE A 26 1.608 -7.914 -0.682 1.00 1.00 C ATOM 0 H ILE A 26 3.723 -10.023 -3.372 1.00 1.00 H new ATOM 0 HA ILE A 26 1.762 -8.151 -3.607 1.00 1.00 H new ATOM 0 HB ILE A 26 4.552 -7.976 -2.395 1.00 1.00 H new ATOM 0 HG12 ILE A 26 2.564 -9.600 -1.640 1.00 1.00 H new ATOM 0 HG13 ILE A 26 3.569 -8.794 -0.452 1.00 1.00 H new ATOM 0 HG21 ILE A 26 3.714 -6.028 -1.121 1.00 1.00 H new ATOM 0 HG22 ILE A 26 3.723 -5.695 -2.870 1.00 1.00 H new ATOM 0 HG23 ILE A 26 2.193 -6.077 -2.045 1.00 1.00 H new ATOM 0 HD11 ILE A 26 1.167 -8.525 0.106 1.00 1.00 H new ATOM 0 HD12 ILE A 26 1.899 -6.947 -0.271 1.00 1.00 H new ATOM 0 HD13 ILE A 26 0.878 -7.765 -1.477 1.00 1.00 H new ATOM 415 N MET A 27 4.312 -7.392 -5.490 1.00 1.00 N ATOM 416 CA MET A 27 4.783 -6.475 -6.522 1.00 1.00 C ATOM 417 C MET A 27 3.907 -6.568 -7.767 1.00 1.00 C ATOM 418 O MET A 27 3.327 -5.575 -8.206 1.00 1.00 O ATOM 419 CB MET A 27 6.232 -6.804 -6.889 1.00 1.00 C ATOM 420 CG MET A 27 7.178 -6.171 -5.866 1.00 1.00 C ATOM 421 SD MET A 27 7.726 -4.555 -6.469 1.00 1.00 S ATOM 422 CE MET A 27 9.265 -5.111 -7.239 1.00 1.00 C ATOM 0 H MET A 27 4.865 -8.243 -5.392 1.00 1.00 H new ATOM 0 HA MET A 27 4.727 -5.459 -6.131 1.00 1.00 H new ATOM 0 HB2 MET A 27 6.375 -7.884 -6.912 1.00 1.00 H new ATOM 0 HB3 MET A 27 6.458 -6.431 -7.888 1.00 1.00 H new ATOM 0 HG2 MET A 27 6.672 -6.061 -4.907 1.00 1.00 H new ATOM 0 HG3 MET A 27 8.038 -6.820 -5.700 1.00 1.00 H new ATOM 0 HE1 MET A 27 9.778 -4.258 -7.684 1.00 1.00 H new ATOM 0 HE2 MET A 27 9.906 -5.567 -6.484 1.00 1.00 H new ATOM 0 HE3 MET A 27 9.040 -5.844 -8.014 1.00 1.00 H new ATOM 432 N THR A 28 3.821 -7.766 -8.334 1.00 1.00 N ATOM 433 CA THR A 28 3.018 -7.980 -9.533 1.00 1.00 C ATOM 434 C THR A 28 1.544 -7.693 -9.260 1.00 1.00 C ATOM 435 O THR A 28 0.783 -7.385 -10.178 1.00 1.00 O ATOM 436 CB THR A 28 3.176 -9.424 -10.016 1.00 1.00 C ATOM 437 OG1 THR A 28 4.536 -9.815 -9.893 1.00 1.00 O ATOM 438 CG2 THR A 28 2.743 -9.526 -11.478 1.00 1.00 C ATOM 0 H THR A 28 4.294 -8.600 -7.986 1.00 1.00 H new ATOM 0 HA THR A 28 3.369 -7.295 -10.304 1.00 1.00 H new ATOM 0 HB THR A 28 2.552 -10.081 -9.410 1.00 1.00 H new ATOM 0 HG1 THR A 28 4.640 -10.740 -10.200 1.00 1.00 H new ATOM 0 HG21 THR A 28 2.856 -10.555 -11.820 1.00 1.00 H new ATOM 0 HG22 THR A 28 1.699 -9.226 -11.570 1.00 1.00 H new ATOM 0 HG23 THR A 28 3.364 -8.870 -12.088 1.00 1.00 H new ATOM 446 N ALA A 29 1.146 -7.803 -7.997 1.00 1.00 N ATOM 447 CA ALA A 29 -0.242 -7.561 -7.620 1.00 1.00 C ATOM 448 C ALA A 29 -0.574 -6.072 -7.686 1.00 1.00 C ATOM 449 O ALA A 29 -1.707 -5.695 -7.984 1.00 1.00 O ATOM 450 CB ALA A 29 -0.495 -8.076 -6.202 1.00 1.00 C ATOM 0 H ALA A 29 1.759 -8.056 -7.222 1.00 1.00 H new ATOM 0 HA ALA A 29 -0.882 -8.093 -8.324 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -1.534 -7.892 -5.928 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -0.294 -9.147 -6.162 1.00 1.00 H new ATOM 0 HB3 ALA A 29 0.162 -7.557 -5.504 1.00 1.00 H new ATOM 456 N LEU A 30 0.415 -5.233 -7.402 1.00 1.00 N ATOM 457 CA LEU A 30 0.211 -3.787 -7.427 1.00 1.00 C ATOM 458 C LEU A 30 0.771 -3.174 -8.711 1.00 1.00 C ATOM 459 O LEU A 30 0.825 -1.953 -8.851 1.00 1.00 O ATOM 460 CB LEU A 30 0.891 -3.140 -6.215 1.00 1.00 C ATOM 461 CG LEU A 30 0.059 -3.400 -4.957 1.00 1.00 C ATOM 462 CD1 LEU A 30 0.971 -3.389 -3.730 1.00 1.00 C ATOM 463 CD2 LEU A 30 -1.001 -2.306 -4.808 1.00 1.00 C ATOM 0 H LEU A 30 1.360 -5.525 -7.153 1.00 1.00 H new ATOM 0 HA LEU A 30 -0.862 -3.598 -7.391 1.00 1.00 H new ATOM 0 HB2 LEU A 30 1.895 -3.546 -6.089 1.00 1.00 H new ATOM 0 HB3 LEU A 30 0.999 -2.067 -6.376 1.00 1.00 H new ATOM 0 HG LEU A 30 -0.428 -4.371 -5.042 1.00 1.00 H new ATOM 0 HD11 LEU A 30 0.378 -3.574 -2.834 1.00 1.00 H new ATOM 0 HD12 LEU A 30 1.727 -4.167 -3.832 1.00 1.00 H new ATOM 0 HD13 LEU A 30 1.459 -2.418 -3.648 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -1.593 -2.492 -3.912 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -0.513 -1.335 -4.725 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -1.654 -2.310 -5.681 1.00 1.00 H new ATOM 475 N SER A 31 1.194 -4.026 -9.637 1.00 1.00 N ATOM 476 CA SER A 31 1.758 -3.554 -10.898 1.00 1.00 C ATOM 477 C SER A 31 0.731 -2.764 -11.716 1.00 1.00 C ATOM 478 O SER A 31 1.005 -1.637 -12.131 1.00 1.00 O ATOM 479 CB SER A 31 2.275 -4.734 -11.723 1.00 1.00 C ATOM 480 OG SER A 31 1.717 -4.675 -13.029 1.00 1.00 O ATOM 0 H SER A 31 1.158 -5.041 -9.541 1.00 1.00 H new ATOM 0 HA SER A 31 2.586 -2.887 -10.657 1.00 1.00 H new ATOM 0 HB2 SER A 31 3.363 -4.705 -11.778 1.00 1.00 H new ATOM 0 HB3 SER A 31 2.006 -5.674 -11.242 1.00 1.00 H new ATOM 0 HG SER A 31 2.048 -5.429 -13.560 1.00 1.00 H new ATOM 486 N PRO A 32 -0.430 -3.321 -11.969 1.00 1.00 N ATOM 487 CA PRO A 32 -1.485 -2.631 -12.765 1.00 1.00 C ATOM 488 C PRO A 32 -2.226 -1.576 -11.953 1.00 1.00 C ATOM 489 O PRO A 32 -3.088 -0.868 -12.474 1.00 1.00 O ATOM 490 CB PRO A 32 -2.424 -3.764 -13.174 1.00 1.00 C ATOM 491 CG PRO A 32 -2.282 -4.801 -12.110 1.00 1.00 C ATOM 492 CD PRO A 32 -0.872 -4.658 -11.527 1.00 1.00 C ATOM 0 HA PRO A 32 -1.068 -2.088 -13.613 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -3.454 -3.414 -13.246 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -2.154 -4.164 -14.151 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -3.035 -4.663 -11.334 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -2.429 -5.799 -12.523 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -0.881 -4.735 -10.440 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -0.207 -5.439 -11.896 1.00 1.00 H new ATOM 500 N TYR A 33 -1.885 -1.478 -10.674 1.00 1.00 N ATOM 501 CA TYR A 33 -2.528 -0.506 -9.796 1.00 1.00 C ATOM 502 C TYR A 33 -1.686 0.761 -9.679 1.00 1.00 C ATOM 503 O TYR A 33 -2.211 1.844 -9.427 1.00 1.00 O ATOM 504 CB TYR A 33 -2.736 -1.111 -8.407 1.00 1.00 C ATOM 505 CG TYR A 33 -3.832 -2.148 -8.472 1.00 1.00 C ATOM 506 CD1 TYR A 33 -3.525 -3.470 -8.815 1.00 1.00 C ATOM 507 CD2 TYR A 33 -5.153 -1.786 -8.189 1.00 1.00 C ATOM 508 CE1 TYR A 33 -4.543 -4.431 -8.874 1.00 1.00 C ATOM 509 CE2 TYR A 33 -6.170 -2.745 -8.248 1.00 1.00 C ATOM 510 CZ TYR A 33 -5.865 -4.068 -8.591 1.00 1.00 C ATOM 511 OH TYR A 33 -6.868 -5.014 -8.649 1.00 1.00 O ATOM 0 H TYR A 33 -1.173 -2.054 -10.224 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.494 -0.245 -10.228 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -1.810 -1.565 -8.054 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -3.000 -0.330 -7.694 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -2.505 -3.749 -9.034 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -5.388 -0.766 -7.925 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -4.308 -5.452 -9.138 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -7.190 -2.465 -8.029 1.00 1.00 H new ATOM 0 HH TYR A 33 -7.725 -4.596 -8.423 1.00 1.00 H new ATOM 521 N ALA A 34 -0.377 0.619 -9.862 1.00 1.00 N ATOM 522 CA ALA A 34 0.524 1.763 -9.771 1.00 1.00 C ATOM 523 C ALA A 34 1.959 1.343 -10.063 1.00 1.00 C ATOM 524 O ALA A 34 2.215 0.218 -10.489 1.00 1.00 O ATOM 525 CB ALA A 34 0.446 2.379 -8.373 1.00 1.00 C ATOM 0 H ALA A 34 0.080 -0.268 -10.072 1.00 1.00 H new ATOM 0 HA ALA A 34 0.217 2.501 -10.512 1.00 1.00 H new ATOM 0 HB1 ALA A 34 1.122 3.232 -8.313 1.00 1.00 H new ATOM 0 HB2 ALA A 34 -0.574 2.709 -8.177 1.00 1.00 H new ATOM 0 HB3 ALA A 34 0.735 1.635 -7.631 1.00 1.00 H new ATOM 531 N SER A 35 2.888 2.263 -9.826 1.00 1.00 N ATOM 532 CA SER A 35 4.303 1.993 -10.060 1.00 1.00 C ATOM 533 C SER A 35 5.041 1.850 -8.733 1.00 1.00 C ATOM 534 O SER A 35 5.002 2.750 -7.894 1.00 1.00 O ATOM 535 CB SER A 35 4.922 3.130 -10.872 1.00 1.00 C ATOM 536 OG SER A 35 4.029 4.236 -10.888 1.00 1.00 O ATOM 0 H SER A 35 2.688 3.199 -9.473 1.00 1.00 H new ATOM 0 HA SER A 35 4.393 1.060 -10.617 1.00 1.00 H new ATOM 0 HB2 SER A 35 5.877 3.425 -10.437 1.00 1.00 H new ATOM 0 HB3 SER A 35 5.125 2.797 -11.890 1.00 1.00 H new ATOM 0 HG SER A 35 4.424 4.968 -11.407 1.00 1.00 H new ATOM 542 N LEU A 36 5.707 0.714 -8.553 1.00 1.00 N ATOM 543 CA LEU A 36 6.452 0.457 -7.324 1.00 1.00 C ATOM 544 C LEU A 36 7.952 0.454 -7.595 1.00 1.00 C ATOM 545 O LEU A 36 8.385 0.497 -8.747 1.00 1.00 O ATOM 546 CB LEU A 36 6.037 -0.892 -6.723 1.00 1.00 C ATOM 547 CG LEU A 36 5.173 -1.669 -7.721 1.00 1.00 C ATOM 548 CD1 LEU A 36 5.003 -3.111 -7.234 1.00 1.00 C ATOM 549 CD2 LEU A 36 3.795 -1.012 -7.833 1.00 1.00 C ATOM 0 H LEU A 36 5.747 -0.040 -9.238 1.00 1.00 H new ATOM 0 HA LEU A 36 6.223 1.253 -6.616 1.00 1.00 H new ATOM 0 HB2 LEU A 36 6.923 -1.473 -6.468 1.00 1.00 H new ATOM 0 HB3 LEU A 36 5.483 -0.732 -5.798 1.00 1.00 H new ATOM 0 HG LEU A 36 5.660 -1.663 -8.696 1.00 1.00 H new ATOM 0 HD11 LEU A 36 4.388 -3.665 -7.944 1.00 1.00 H new ATOM 0 HD12 LEU A 36 5.981 -3.586 -7.154 1.00 1.00 H new ATOM 0 HD13 LEU A 36 4.519 -3.111 -6.258 1.00 1.00 H new ATOM 0 HD21 LEU A 36 3.184 -1.568 -8.544 1.00 1.00 H new ATOM 0 HD22 LEU A 36 3.310 -1.015 -6.857 1.00 1.00 H new ATOM 0 HD23 LEU A 36 3.909 0.016 -8.178 1.00 1.00 H new ATOM 561 N ALA A 37 8.742 0.407 -6.527 1.00 1.00 N ATOM 562 CA ALA A 37 10.193 0.401 -6.663 1.00 1.00 C ATOM 563 C ALA A 37 10.827 -0.468 -5.578 1.00 1.00 C ATOM 564 O ALA A 37 10.529 -0.316 -4.395 1.00 1.00 O ATOM 565 CB ALA A 37 10.731 1.832 -6.571 1.00 1.00 C ATOM 0 H ALA A 37 8.405 0.373 -5.565 1.00 1.00 H new ATOM 0 HA ALA A 37 10.452 -0.016 -7.636 1.00 1.00 H new ATOM 0 HB1 ALA A 37 11.816 1.820 -6.673 1.00 1.00 H new ATOM 0 HB2 ALA A 37 10.298 2.436 -7.369 1.00 1.00 H new ATOM 0 HB3 ALA A 37 10.462 2.260 -5.605 1.00 1.00 H new ATOM 571 N VAL A 38 11.693 -1.386 -5.996 1.00 1.00 N ATOM 572 CA VAL A 38 12.359 -2.288 -5.061 1.00 1.00 C ATOM 573 C VAL A 38 12.965 -1.524 -3.884 1.00 1.00 C ATOM 574 O VAL A 38 12.932 -1.995 -2.747 1.00 1.00 O ATOM 575 CB VAL A 38 13.464 -3.059 -5.786 1.00 1.00 C ATOM 576 CG1 VAL A 38 14.369 -3.740 -4.758 1.00 1.00 C ATOM 577 CG2 VAL A 38 12.834 -4.120 -6.691 1.00 1.00 C ATOM 0 H VAL A 38 11.950 -1.525 -6.973 1.00 1.00 H new ATOM 0 HA VAL A 38 11.612 -2.980 -4.673 1.00 1.00 H new ATOM 0 HB VAL A 38 14.054 -2.369 -6.389 1.00 1.00 H new ATOM 0 HG11 VAL A 38 15.156 -4.289 -5.274 1.00 1.00 H new ATOM 0 HG12 VAL A 38 14.817 -2.986 -4.111 1.00 1.00 H new ATOM 0 HG13 VAL A 38 13.779 -4.431 -4.155 1.00 1.00 H new ATOM 0 HG21 VAL A 38 13.620 -4.670 -7.208 1.00 1.00 H new ATOM 0 HG22 VAL A 38 12.245 -4.810 -6.087 1.00 1.00 H new ATOM 0 HG23 VAL A 38 12.188 -3.636 -7.423 1.00 1.00 H new ATOM 587 N ASN A 39 13.531 -0.354 -4.164 1.00 1.00 N ATOM 588 CA ASN A 39 14.158 0.451 -3.118 1.00 1.00 C ATOM 589 C ASN A 39 13.125 1.274 -2.351 1.00 1.00 C ATOM 590 O ASN A 39 13.485 2.079 -1.490 1.00 1.00 O ATOM 591 CB ASN A 39 15.195 1.389 -3.738 1.00 1.00 C ATOM 592 CG ASN A 39 14.545 2.239 -4.825 1.00 1.00 C ATOM 593 OD1 ASN A 39 13.571 2.944 -4.562 1.00 1.00 O ATOM 594 ND2 ASN A 39 15.030 2.214 -6.036 1.00 1.00 N ATOM 0 H ASN A 39 13.569 0.056 -5.097 1.00 1.00 H new ATOM 0 HA ASN A 39 14.642 -0.230 -2.417 1.00 1.00 H new ATOM 0 HB2 ASN A 39 15.622 2.032 -2.968 1.00 1.00 H new ATOM 0 HB3 ASN A 39 16.016 0.809 -4.160 1.00 1.00 H new ATOM 0 HD21 ASN A 39 14.602 2.780 -6.769 1.00 1.00 H new ATOM 0 HD22 ASN A 39 15.837 1.628 -6.250 1.00 1.00 H new ATOM 601 N ASN A 40 11.848 1.072 -2.666 1.00 1.00 N ATOM 602 CA ASN A 40 10.773 1.808 -1.995 1.00 1.00 C ATOM 603 C ASN A 40 9.839 0.854 -1.254 1.00 1.00 C ATOM 604 O ASN A 40 8.849 1.284 -0.662 1.00 1.00 O ATOM 605 CB ASN A 40 9.967 2.606 -3.030 1.00 1.00 C ATOM 606 CG ASN A 40 9.735 4.049 -2.576 1.00 1.00 C ATOM 607 OD1 ASN A 40 9.996 4.403 -1.428 1.00 1.00 O ATOM 608 ND2 ASN A 40 9.246 4.904 -3.431 1.00 1.00 N ATOM 0 H ASN A 40 11.531 0.411 -3.375 1.00 1.00 H new ATOM 0 HA ASN A 40 11.224 2.487 -1.272 1.00 1.00 H new ATOM 0 HB2 ASN A 40 10.496 2.605 -3.983 1.00 1.00 H new ATOM 0 HB3 ASN A 40 9.007 2.118 -3.198 1.00 1.00 H new ATOM 0 HD21 ASN A 40 9.079 5.870 -3.148 1.00 1.00 H new ATOM 0 HD22 ASN A 40 9.031 4.607 -4.383 1.00 1.00 H new ATOM 615 N ILE A 41 10.152 -0.440 -1.293 1.00 1.00 N ATOM 616 CA ILE A 41 9.328 -1.434 -0.622 1.00 1.00 C ATOM 617 C ILE A 41 10.197 -2.410 0.164 1.00 1.00 C ATOM 618 O ILE A 41 11.173 -2.950 -0.358 1.00 1.00 O ATOM 619 CB ILE A 41 8.492 -2.190 -1.654 1.00 1.00 C ATOM 620 CG1 ILE A 41 9.391 -3.100 -2.495 1.00 1.00 C ATOM 621 CG2 ILE A 41 7.788 -1.189 -2.571 1.00 1.00 C ATOM 622 CD1 ILE A 41 8.607 -3.612 -3.705 1.00 1.00 C ATOM 0 H ILE A 41 10.965 -0.819 -1.779 1.00 1.00 H new ATOM 0 HA ILE A 41 8.665 -0.925 0.077 1.00 1.00 H new ATOM 0 HB ILE A 41 7.752 -2.799 -1.134 1.00 1.00 H new ATOM 0 HG12 ILE A 41 10.274 -2.553 -2.825 1.00 1.00 H new ATOM 0 HG13 ILE A 41 9.742 -3.939 -1.894 1.00 1.00 H new ATOM 0 HG21 ILE A 41 7.191 -1.727 -3.307 1.00 1.00 H new ATOM 0 HG22 ILE A 41 7.138 -0.546 -1.977 1.00 1.00 H new ATOM 0 HG23 ILE A 41 8.532 -0.579 -3.083 1.00 1.00 H new ATOM 0 HD11 ILE A 41 9.246 -4.260 -4.305 1.00 1.00 H new ATOM 0 HD12 ILE A 41 7.738 -4.174 -3.364 1.00 1.00 H new ATOM 0 HD13 ILE A 41 8.278 -2.767 -4.310 1.00 1.00 H new ATOM 634 N ARG A 42 9.837 -2.627 1.427 1.00 1.00 N ATOM 635 CA ARG A 42 10.589 -3.536 2.285 1.00 1.00 C ATOM 636 C ARG A 42 9.648 -4.488 3.018 1.00 1.00 C ATOM 637 O ARG A 42 8.637 -4.068 3.580 1.00 1.00 O ATOM 638 CB ARG A 42 11.401 -2.735 3.305 1.00 1.00 C ATOM 639 CG ARG A 42 12.442 -3.645 3.958 1.00 1.00 C ATOM 640 CD ARG A 42 13.087 -2.916 5.138 1.00 1.00 C ATOM 641 NE ARG A 42 12.414 -3.275 6.381 1.00 1.00 N ATOM 642 CZ ARG A 42 12.993 -3.072 7.560 1.00 1.00 C ATOM 643 NH1 ARG A 42 14.185 -2.545 7.619 1.00 1.00 N ATOM 644 NH2 ARG A 42 12.369 -3.401 8.658 1.00 1.00 N ATOM 0 H ARG A 42 9.033 -2.188 1.876 1.00 1.00 H new ATOM 0 HA ARG A 42 11.263 -4.122 1.659 1.00 1.00 H new ATOM 0 HB2 ARG A 42 11.893 -1.895 2.815 1.00 1.00 H new ATOM 0 HB3 ARG A 42 10.740 -2.318 4.065 1.00 1.00 H new ATOM 0 HG2 ARG A 42 11.972 -4.567 4.299 1.00 1.00 H new ATOM 0 HG3 ARG A 42 13.203 -3.926 3.230 1.00 1.00 H new ATOM 0 HD2 ARG A 42 14.144 -3.174 5.201 1.00 1.00 H new ATOM 0 HD3 ARG A 42 13.031 -1.838 4.984 1.00 1.00 H new ATOM 0 HE ARG A 42 11.483 -3.689 6.345 1.00 1.00 H new ATOM 0 HH11 ARG A 42 14.672 -2.289 6.760 1.00 1.00 H new ATOM 0 HH12 ARG A 42 14.629 -2.389 8.524 1.00 1.00 H new ATOM 0 HH21 ARG A 42 11.437 -3.814 8.611 1.00 1.00 H new ATOM 0 HH22 ARG A 42 12.813 -3.245 9.563 1.00 1.00 H new ATOM 658 N LEU A 43 9.993 -5.771 3.010 1.00 1.00 N ATOM 659 CA LEU A 43 9.176 -6.777 3.684 1.00 1.00 C ATOM 660 C LEU A 43 9.803 -7.145 5.025 1.00 1.00 C ATOM 661 O LEU A 43 10.772 -7.902 5.083 1.00 1.00 O ATOM 662 CB LEU A 43 9.070 -8.032 2.806 1.00 1.00 C ATOM 663 CG LEU A 43 7.600 -8.398 2.561 1.00 1.00 C ATOM 664 CD1 LEU A 43 6.895 -8.638 3.895 1.00 1.00 C ATOM 665 CD2 LEU A 43 6.894 -7.265 1.812 1.00 1.00 C ATOM 0 H LEU A 43 10.825 -6.138 2.549 1.00 1.00 H new ATOM 0 HA LEU A 43 8.180 -6.368 3.854 1.00 1.00 H new ATOM 0 HB2 LEU A 43 9.571 -7.859 1.853 1.00 1.00 H new ATOM 0 HB3 LEU A 43 9.582 -8.864 3.289 1.00 1.00 H new ATOM 0 HG LEU A 43 7.561 -9.307 1.960 1.00 1.00 H new ATOM 0 HD11 LEU A 43 5.852 -8.897 3.714 1.00 1.00 H new ATOM 0 HD12 LEU A 43 7.386 -9.455 4.424 1.00 1.00 H new ATOM 0 HD13 LEU A 43 6.944 -7.733 4.500 1.00 1.00 H new ATOM 0 HD21 LEU A 43 5.851 -7.535 1.643 1.00 1.00 H new ATOM 0 HD22 LEU A 43 6.941 -6.352 2.405 1.00 1.00 H new ATOM 0 HD23 LEU A 43 7.386 -7.101 0.853 1.00 1.00 H new ATOM 677 N ILE A 44 9.245 -6.602 6.101 1.00 1.00 N ATOM 678 CA ILE A 44 9.762 -6.880 7.437 1.00 1.00 C ATOM 679 C ILE A 44 9.684 -8.372 7.731 1.00 1.00 C ATOM 680 O ILE A 44 8.641 -8.880 8.140 1.00 1.00 O ATOM 681 CB ILE A 44 8.952 -6.105 8.479 1.00 1.00 C ATOM 682 CG1 ILE A 44 9.503 -6.402 9.877 1.00 1.00 C ATOM 683 CG2 ILE A 44 7.486 -6.536 8.411 1.00 1.00 C ATOM 684 CD1 ILE A 44 9.575 -5.102 10.680 1.00 1.00 C ATOM 0 H ILE A 44 8.443 -5.973 6.077 1.00 1.00 H new ATOM 0 HA ILE A 44 10.804 -6.564 7.483 1.00 1.00 H new ATOM 0 HB ILE A 44 9.028 -5.037 8.275 1.00 1.00 H new ATOM 0 HG12 ILE A 44 8.863 -7.123 10.387 1.00 1.00 H new ATOM 0 HG13 ILE A 44 10.493 -6.852 9.802 1.00 1.00 H new ATOM 0 HG21 ILE A 44 6.910 -5.984 9.153 1.00 1.00 H new ATOM 0 HG22 ILE A 44 7.091 -6.328 7.417 1.00 1.00 H new ATOM 0 HG23 ILE A 44 7.411 -7.604 8.615 1.00 1.00 H new ATOM 0 HD11 ILE A 44 9.967 -5.311 11.676 1.00 1.00 H new ATOM 0 HD12 ILE A 44 10.232 -4.396 10.172 1.00 1.00 H new ATOM 0 HD13 ILE A 44 8.577 -4.672 10.766 1.00 1.00 H new ATOM 696 N LYS A 45 10.793 -9.072 7.513 1.00 1.00 N ATOM 697 CA LYS A 45 10.837 -10.513 7.750 1.00 1.00 C ATOM 698 C LYS A 45 11.170 -10.812 9.208 1.00 1.00 C ATOM 699 O LYS A 45 11.829 -10.020 9.881 1.00 1.00 O ATOM 700 CB LYS A 45 11.880 -11.166 6.835 1.00 1.00 C ATOM 701 CG LYS A 45 11.378 -12.538 6.372 1.00 1.00 C ATOM 702 CD LYS A 45 12.398 -13.153 5.410 1.00 1.00 C ATOM 703 CE LYS A 45 11.951 -12.903 3.969 1.00 1.00 C ATOM 704 NZ LYS A 45 13.089 -13.166 3.043 1.00 1.00 N ATOM 0 H LYS A 45 11.667 -8.670 7.175 1.00 1.00 H new ATOM 0 HA LYS A 45 9.853 -10.926 7.527 1.00 1.00 H new ATOM 0 HB2 LYS A 45 12.070 -10.528 5.972 1.00 1.00 H new ATOM 0 HB3 LYS A 45 12.826 -11.275 7.366 1.00 1.00 H new ATOM 0 HG2 LYS A 45 11.231 -13.193 7.231 1.00 1.00 H new ATOM 0 HG3 LYS A 45 10.411 -12.437 5.879 1.00 1.00 H new ATOM 0 HD2 LYS A 45 13.382 -12.716 5.578 1.00 1.00 H new ATOM 0 HD3 LYS A 45 12.489 -14.224 5.594 1.00 1.00 H new ATOM 0 HE2 LYS A 45 11.109 -13.550 3.721 1.00 1.00 H new ATOM 0 HE3 LYS A 45 11.607 -11.875 3.857 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 12.785 -12.996 2.063 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 13.880 -12.532 3.276 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 13.397 -14.154 3.144 1.00 1.00 H new ATOM 718 N ASP A 46 10.701 -11.962 9.687 1.00 1.00 N ATOM 719 CA ASP A 46 10.943 -12.368 11.068 1.00 1.00 C ATOM 720 C ASP A 46 11.916 -13.541 11.124 1.00 1.00 C ATOM 721 O ASP A 46 12.064 -14.284 10.154 1.00 1.00 O ATOM 722 CB ASP A 46 9.623 -12.771 11.728 1.00 1.00 C ATOM 723 CG ASP A 46 9.790 -12.827 13.243 1.00 1.00 C ATOM 724 OD1 ASP A 46 10.898 -12.609 13.706 1.00 1.00 O ATOM 725 OD2 ASP A 46 8.809 -13.091 13.917 1.00 1.00 O ATOM 0 H ASP A 46 10.153 -12.627 9.141 1.00 1.00 H new ATOM 0 HA ASP A 46 11.380 -11.524 11.602 1.00 1.00 H new ATOM 0 HB2 ASP A 46 8.843 -12.055 11.467 1.00 1.00 H new ATOM 0 HB3 ASP A 46 9.302 -13.743 11.354 1.00 1.00 H new ATOM 730 N LYS A 47 12.572 -13.703 12.269 1.00 1.00 N ATOM 731 CA LYS A 47 13.525 -14.791 12.444 1.00 1.00 C ATOM 732 C LYS A 47 12.828 -16.026 13.005 1.00 1.00 C ATOM 733 O LYS A 47 13.442 -17.082 13.158 1.00 1.00 O ATOM 734 CB LYS A 47 14.642 -14.358 13.395 1.00 1.00 C ATOM 735 CG LYS A 47 15.949 -15.050 13.002 1.00 1.00 C ATOM 736 CD LYS A 47 16.644 -14.243 11.905 1.00 1.00 C ATOM 737 CE LYS A 47 17.571 -13.206 12.543 1.00 1.00 C ATOM 738 NZ LYS A 47 18.144 -12.331 11.481 1.00 1.00 N ATOM 0 H LYS A 47 12.462 -13.099 13.083 1.00 1.00 H new ATOM 0 HA LYS A 47 13.951 -15.037 11.471 1.00 1.00 H new ATOM 0 HB2 LYS A 47 14.766 -13.276 13.357 1.00 1.00 H new ATOM 0 HB3 LYS A 47 14.378 -14.613 14.421 1.00 1.00 H new ATOM 0 HG2 LYS A 47 16.601 -15.139 13.871 1.00 1.00 H new ATOM 0 HG3 LYS A 47 15.746 -16.062 12.651 1.00 1.00 H new ATOM 0 HD2 LYS A 47 17.216 -14.907 11.257 1.00 1.00 H new ATOM 0 HD3 LYS A 47 15.903 -13.747 11.279 1.00 1.00 H new ATOM 0 HE2 LYS A 47 17.019 -12.605 13.266 1.00 1.00 H new ATOM 0 HE3 LYS A 47 18.372 -13.705 13.089 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 18.774 -11.626 11.914 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 18.684 -12.911 10.808 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 17.374 -11.845 10.979 1.00 1.00 H new ATOM 752 N GLN A 48 11.542 -15.886 13.312 1.00 1.00 N ATOM 753 CA GLN A 48 10.770 -16.995 13.861 1.00 1.00 C ATOM 754 C GLN A 48 10.040 -17.748 12.751 1.00 1.00 C ATOM 755 O GLN A 48 10.225 -18.952 12.582 1.00 1.00 O ATOM 756 CB GLN A 48 9.756 -16.470 14.878 1.00 1.00 C ATOM 757 CG GLN A 48 9.122 -17.645 15.626 1.00 1.00 C ATOM 758 CD GLN A 48 7.604 -17.506 15.622 1.00 1.00 C ATOM 759 OE1 GLN A 48 6.918 -18.192 14.864 1.00 1.00 O ATOM 760 NE2 GLN A 48 7.034 -16.649 16.425 1.00 1.00 N ATOM 0 H GLN A 48 11.015 -15.021 13.191 1.00 1.00 H new ATOM 0 HA GLN A 48 11.458 -17.682 14.354 1.00 1.00 H new ATOM 0 HB2 GLN A 48 10.247 -15.800 15.583 1.00 1.00 H new ATOM 0 HB3 GLN A 48 8.985 -15.890 14.371 1.00 1.00 H new ATOM 0 HG2 GLN A 48 9.411 -18.585 15.156 1.00 1.00 H new ATOM 0 HG3 GLN A 48 9.490 -17.675 16.651 1.00 1.00 H new ATOM 0 HE21 GLN A 48 7.604 -16.081 17.052 1.00 1.00 H new ATOM 0 HE22 GLN A 48 6.019 -16.547 16.425 1.00 1.00 H new ATOM 769 N THR A 49 9.210 -17.032 11.998 1.00 1.00 N ATOM 770 CA THR A 49 8.461 -17.650 10.909 1.00 1.00 C ATOM 771 C THR A 49 9.231 -17.532 9.598 1.00 1.00 C ATOM 772 O THR A 49 8.701 -17.825 8.527 1.00 1.00 O ATOM 773 CB THR A 49 7.090 -16.981 10.769 1.00 1.00 C ATOM 774 OG1 THR A 49 7.114 -15.714 11.410 1.00 1.00 O ATOM 775 CG2 THR A 49 6.020 -17.863 11.418 1.00 1.00 C ATOM 0 H THR A 49 9.040 -16.034 12.120 1.00 1.00 H new ATOM 0 HA THR A 49 8.322 -18.706 11.140 1.00 1.00 H new ATOM 0 HB THR A 49 6.857 -16.849 9.712 1.00 1.00 H new ATOM 0 HG1 THR A 49 6.238 -15.285 11.319 1.00 1.00 H new ATOM 0 HG21 THR A 49 5.045 -17.386 11.318 1.00 1.00 H new ATOM 0 HG22 THR A 49 6.001 -18.835 10.924 1.00 1.00 H new ATOM 0 HG23 THR A 49 6.251 -17.997 12.475 1.00 1.00 H new ATOM 783 N GLN A 50 10.484 -17.102 9.691 1.00 1.00 N ATOM 784 CA GLN A 50 11.327 -16.949 8.508 1.00 1.00 C ATOM 785 C GLN A 50 10.543 -16.283 7.381 1.00 1.00 C ATOM 786 O GLN A 50 10.849 -16.464 6.203 1.00 1.00 O ATOM 787 CB GLN A 50 11.835 -18.318 8.050 1.00 1.00 C ATOM 788 CG GLN A 50 13.081 -18.696 8.856 1.00 1.00 C ATOM 789 CD GLN A 50 12.883 -18.336 10.323 1.00 1.00 C ATOM 790 OE1 GLN A 50 13.443 -17.353 10.805 1.00 1.00 O ATOM 791 NE2 GLN A 50 12.113 -19.082 11.070 1.00 1.00 N ATOM 0 H GLN A 50 10.939 -16.853 10.570 1.00 1.00 H new ATOM 0 HA GLN A 50 12.178 -16.318 8.764 1.00 1.00 H new ATOM 0 HB2 GLN A 50 11.058 -19.070 8.187 1.00 1.00 H new ATOM 0 HB3 GLN A 50 12.071 -18.293 6.986 1.00 1.00 H new ATOM 0 HG2 GLN A 50 13.277 -19.764 8.759 1.00 1.00 H new ATOM 0 HG3 GLN A 50 13.952 -18.175 8.460 1.00 1.00 H new ATOM 0 HE21 GLN A 50 11.649 -19.897 10.670 1.00 1.00 H new ATOM 0 HE22 GLN A 50 11.976 -18.849 12.054 1.00 1.00 H new ATOM 800 N GLN A 51 9.534 -15.509 7.759 1.00 1.00 N ATOM 801 CA GLN A 51 8.698 -14.811 6.787 1.00 1.00 C ATOM 802 C GLN A 51 8.053 -13.590 7.436 1.00 1.00 C ATOM 803 O GLN A 51 8.077 -13.441 8.658 1.00 1.00 O ATOM 804 CB GLN A 51 7.592 -15.747 6.267 1.00 1.00 C ATOM 805 CG GLN A 51 8.143 -16.753 5.241 1.00 1.00 C ATOM 806 CD GLN A 51 8.511 -18.060 5.935 1.00 1.00 C ATOM 807 OE1 GLN A 51 7.591 -18.732 6.570 1.00 1.00 O flip ATOM 808 NE2 GLN A 51 9.667 -18.482 5.895 1.00 1.00 N flip ATOM 0 H GLN A 51 9.273 -15.348 8.732 1.00 1.00 H new ATOM 0 HA GLN A 51 9.326 -14.495 5.954 1.00 1.00 H new ATOM 0 HB2 GLN A 51 7.146 -16.285 7.103 1.00 1.00 H new ATOM 0 HB3 GLN A 51 6.799 -15.156 5.809 1.00 1.00 H new ATOM 0 HG2 GLN A 51 7.398 -16.940 4.467 1.00 1.00 H new ATOM 0 HG3 GLN A 51 9.020 -16.336 4.745 1.00 1.00 H new ATOM 0 HE21 GLN A 51 10.385 -17.955 5.398 1.00 1.00 H new ATOM 0 HE22 GLN A 51 9.906 -19.358 6.359 1.00 1.00 H new ATOM 817 N ASN A 52 7.480 -12.724 6.604 1.00 1.00 N ATOM 818 CA ASN A 52 6.823 -11.512 7.089 1.00 1.00 C ATOM 819 C ASN A 52 6.118 -11.758 8.421 1.00 1.00 C ATOM 820 O ASN A 52 5.521 -12.813 8.633 1.00 1.00 O ATOM 821 CB ASN A 52 5.798 -11.042 6.059 1.00 1.00 C ATOM 822 CG ASN A 52 4.416 -11.569 6.426 1.00 1.00 C ATOM 823 OD1 ASN A 52 3.562 -10.811 6.886 1.00 1.00 O ATOM 824 ND2 ASN A 52 4.141 -12.831 6.243 1.00 1.00 N ATOM 0 H ASN A 52 7.457 -12.838 5.591 1.00 1.00 H new ATOM 0 HA ASN A 52 7.587 -10.749 7.239 1.00 1.00 H new ATOM 0 HB2 ASN A 52 5.783 -9.953 6.019 1.00 1.00 H new ATOM 0 HB3 ASN A 52 6.079 -11.394 5.066 1.00 1.00 H new ATOM 0 HD21 ASN A 52 3.217 -13.191 6.481 1.00 1.00 H new ATOM 0 HD22 ASN A 52 4.850 -13.457 5.862 1.00 1.00 H new ATOM 831 N ARG A 53 6.185 -10.772 9.315 1.00 1.00 N ATOM 832 CA ARG A 53 5.545 -10.892 10.618 1.00 1.00 C ATOM 833 C ARG A 53 4.064 -10.537 10.519 1.00 1.00 C ATOM 834 O ARG A 53 3.463 -10.070 11.486 1.00 1.00 O ATOM 835 CB ARG A 53 6.221 -9.959 11.627 1.00 1.00 C ATOM 836 CG ARG A 53 6.348 -10.668 12.977 1.00 1.00 C ATOM 837 CD ARG A 53 6.759 -9.657 14.048 1.00 1.00 C ATOM 838 NE ARG A 53 5.616 -9.321 14.890 1.00 1.00 N ATOM 839 CZ ARG A 53 5.195 -10.151 15.838 1.00 1.00 C ATOM 840 NH1 ARG A 53 5.804 -11.289 16.028 1.00 1.00 N ATOM 841 NH2 ARG A 53 4.172 -9.827 16.580 1.00 1.00 N ATOM 0 H ARG A 53 6.672 -9.890 9.160 1.00 1.00 H new ATOM 0 HA ARG A 53 5.645 -11.924 10.954 1.00 1.00 H new ATOM 0 HB2 ARG A 53 7.206 -9.667 11.264 1.00 1.00 H new ATOM 0 HB3 ARG A 53 5.639 -9.044 11.739 1.00 1.00 H new ATOM 0 HG2 ARG A 53 5.400 -11.133 13.246 1.00 1.00 H new ATOM 0 HG3 ARG A 53 7.088 -11.466 12.912 1.00 1.00 H new ATOM 0 HD2 ARG A 53 7.561 -10.070 14.659 1.00 1.00 H new ATOM 0 HD3 ARG A 53 7.150 -8.755 13.576 1.00 1.00 H new ATOM 0 HE ARG A 53 5.132 -8.434 14.749 1.00 1.00 H new ATOM 0 HH11 ARG A 53 6.604 -11.542 15.448 1.00 1.00 H new ATOM 0 HH12 ARG A 53 5.480 -11.926 16.756 1.00 1.00 H new ATOM 0 HH21 ARG A 53 3.696 -8.937 16.432 1.00 1.00 H new ATOM 0 HH22 ARG A 53 3.848 -10.464 17.308 1.00 1.00 H new ATOM 855 N GLY A 54 3.483 -10.759 9.344 1.00 1.00 N ATOM 856 CA GLY A 54 2.073 -10.453 9.133 1.00 1.00 C ATOM 857 C GLY A 54 1.885 -8.986 8.760 1.00 1.00 C ATOM 858 O GLY A 54 0.813 -8.417 8.967 1.00 1.00 O ATOM 0 H GLY A 54 3.962 -11.146 8.531 1.00 1.00 H new ATOM 0 HA2 GLY A 54 1.673 -11.088 8.342 1.00 1.00 H new ATOM 0 HA3 GLY A 54 1.508 -10.678 10.038 1.00 1.00 H new ATOM 862 N PHE A 55 2.934 -8.378 8.211 1.00 1.00 N ATOM 863 CA PHE A 55 2.870 -6.975 7.817 1.00 1.00 C ATOM 864 C PHE A 55 3.881 -6.676 6.714 1.00 1.00 C ATOM 865 O PHE A 55 4.960 -7.266 6.667 1.00 1.00 O ATOM 866 CB PHE A 55 3.151 -6.082 9.027 1.00 1.00 C ATOM 867 CG PHE A 55 2.277 -6.509 10.181 1.00 1.00 C ATOM 868 CD1 PHE A 55 0.969 -6.021 10.284 1.00 1.00 C ATOM 869 CD2 PHE A 55 2.772 -7.394 11.144 1.00 1.00 C ATOM 870 CE1 PHE A 55 0.156 -6.419 11.353 1.00 1.00 C ATOM 871 CE2 PHE A 55 1.959 -7.793 12.214 1.00 1.00 C ATOM 872 CZ PHE A 55 0.652 -7.304 12.318 1.00 1.00 C ATOM 0 H PHE A 55 3.830 -8.831 8.031 1.00 1.00 H new ATOM 0 HA PHE A 55 1.869 -6.770 7.437 1.00 1.00 H new ATOM 0 HB2 PHE A 55 4.202 -6.152 9.308 1.00 1.00 H new ATOM 0 HB3 PHE A 55 2.957 -5.039 8.776 1.00 1.00 H new ATOM 0 HD1 PHE A 55 0.587 -5.338 9.540 1.00 1.00 H new ATOM 0 HD2 PHE A 55 3.781 -7.770 11.063 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -0.853 -6.043 11.433 1.00 1.00 H new ATOM 0 HE2 PHE A 55 2.341 -8.477 12.957 1.00 1.00 H new ATOM 0 HZ PHE A 55 0.026 -7.609 13.143 1.00 1.00 H new ATOM 882 N ALA A 56 3.519 -5.754 5.826 1.00 1.00 N ATOM 883 CA ALA A 56 4.395 -5.375 4.721 1.00 1.00 C ATOM 884 C ALA A 56 4.441 -3.857 4.581 1.00 1.00 C ATOM 885 O ALA A 56 3.404 -3.194 4.568 1.00 1.00 O ATOM 886 CB ALA A 56 3.881 -5.993 3.419 1.00 1.00 C ATOM 0 H ALA A 56 2.629 -5.257 5.849 1.00 1.00 H new ATOM 0 HA ALA A 56 5.400 -5.743 4.927 1.00 1.00 H new ATOM 0 HB1 ALA A 56 4.537 -5.708 2.597 1.00 1.00 H new ATOM 0 HB2 ALA A 56 3.867 -7.079 3.512 1.00 1.00 H new ATOM 0 HB3 ALA A 56 2.872 -5.633 3.219 1.00 1.00 H new ATOM 892 N PHE A 57 5.647 -3.310 4.477 1.00 1.00 N ATOM 893 CA PHE A 57 5.811 -1.867 4.340 1.00 1.00 C ATOM 894 C PHE A 57 6.041 -1.487 2.881 1.00 1.00 C ATOM 895 O PHE A 57 6.924 -2.030 2.219 1.00 1.00 O ATOM 896 CB PHE A 57 6.995 -1.393 5.186 1.00 1.00 C ATOM 897 CG PHE A 57 6.517 -1.058 6.579 1.00 1.00 C ATOM 898 CD1 PHE A 57 6.040 -2.073 7.416 1.00 1.00 C ATOM 899 CD2 PHE A 57 6.554 0.265 7.035 1.00 1.00 C ATOM 900 CE1 PHE A 57 5.597 -1.767 8.707 1.00 1.00 C ATOM 901 CE2 PHE A 57 6.112 0.572 8.328 1.00 1.00 C ATOM 902 CZ PHE A 57 5.634 -0.444 9.164 1.00 1.00 C ATOM 0 H PHE A 57 6.519 -3.839 4.485 1.00 1.00 H new ATOM 0 HA PHE A 57 4.898 -1.383 4.688 1.00 1.00 H new ATOM 0 HB2 PHE A 57 7.759 -2.169 5.229 1.00 1.00 H new ATOM 0 HB3 PHE A 57 7.456 -0.518 4.728 1.00 1.00 H new ATOM 0 HD1 PHE A 57 6.014 -3.094 7.065 1.00 1.00 H new ATOM 0 HD2 PHE A 57 6.923 1.049 6.390 1.00 1.00 H new ATOM 0 HE1 PHE A 57 5.227 -2.551 9.351 1.00 1.00 H new ATOM 0 HE2 PHE A 57 6.140 1.593 8.680 1.00 1.00 H new ATOM 0 HZ PHE A 57 5.294 -0.207 10.161 1.00 1.00 H new ATOM 912 N VAL A 58 5.237 -0.551 2.388 1.00 1.00 N ATOM 913 CA VAL A 58 5.356 -0.101 1.005 1.00 1.00 C ATOM 914 C VAL A 58 5.268 1.422 0.933 1.00 1.00 C ATOM 915 O VAL A 58 4.439 2.033 1.608 1.00 1.00 O ATOM 916 CB VAL A 58 4.243 -0.720 0.155 1.00 1.00 C ATOM 917 CG1 VAL A 58 4.822 -1.205 -1.175 1.00 1.00 C ATOM 918 CG2 VAL A 58 3.628 -1.908 0.901 1.00 1.00 C ATOM 0 H VAL A 58 4.500 -0.091 2.922 1.00 1.00 H new ATOM 0 HA VAL A 58 6.324 -0.419 0.619 1.00 1.00 H new ATOM 0 HB VAL A 58 3.475 0.031 -0.033 1.00 1.00 H new ATOM 0 HG11 VAL A 58 4.028 -1.645 -1.778 1.00 1.00 H new ATOM 0 HG12 VAL A 58 5.260 -0.362 -1.710 1.00 1.00 H new ATOM 0 HG13 VAL A 58 5.591 -1.954 -0.986 1.00 1.00 H new ATOM 0 HG21 VAL A 58 2.836 -2.348 0.295 1.00 1.00 H new ATOM 0 HG22 VAL A 58 4.398 -2.656 1.091 1.00 1.00 H new ATOM 0 HG23 VAL A 58 3.212 -1.567 1.849 1.00 1.00 H new ATOM 928 N GLN A 59 6.127 2.024 0.111 1.00 1.00 N ATOM 929 CA GLN A 59 6.138 3.479 -0.043 1.00 1.00 C ATOM 930 C GLN A 59 5.852 3.861 -1.490 1.00 1.00 C ATOM 931 O GLN A 59 6.141 3.095 -2.410 1.00 1.00 O ATOM 932 CB GLN A 59 7.495 4.044 0.383 1.00 1.00 C ATOM 933 CG GLN A 59 7.577 5.523 -0.001 1.00 1.00 C ATOM 934 CD GLN A 59 8.641 6.219 0.840 1.00 1.00 C ATOM 935 OE1 GLN A 59 8.521 7.410 1.133 1.00 1.00 O ATOM 936 NE2 GLN A 59 9.680 5.545 1.250 1.00 1.00 N ATOM 0 H GLN A 59 6.819 1.532 -0.454 1.00 1.00 H new ATOM 0 HA GLN A 59 5.360 3.900 0.594 1.00 1.00 H new ATOM 0 HB2 GLN A 59 7.627 3.929 1.459 1.00 1.00 H new ATOM 0 HB3 GLN A 59 8.299 3.488 -0.098 1.00 1.00 H new ATOM 0 HG2 GLN A 59 7.817 5.620 -1.060 1.00 1.00 H new ATOM 0 HG3 GLN A 59 6.610 6.002 0.152 1.00 1.00 H new ATOM 0 HE21 GLN A 59 9.777 4.559 1.006 1.00 1.00 H new ATOM 0 HE22 GLN A 59 10.395 6.004 1.814 1.00 1.00 H new ATOM 945 N LEU A 60 5.284 5.048 -1.684 1.00 1.00 N ATOM 946 CA LEU A 60 4.960 5.521 -3.028 1.00 1.00 C ATOM 947 C LEU A 60 5.912 6.645 -3.433 1.00 1.00 C ATOM 948 O LEU A 60 6.628 7.196 -2.595 1.00 1.00 O ATOM 949 CB LEU A 60 3.512 6.037 -3.076 1.00 1.00 C ATOM 950 CG LEU A 60 2.531 4.906 -3.426 1.00 1.00 C ATOM 951 CD1 LEU A 60 2.788 4.398 -4.850 1.00 1.00 C ATOM 952 CD2 LEU A 60 2.684 3.743 -2.442 1.00 1.00 C ATOM 0 H LEU A 60 5.040 5.696 -0.935 1.00 1.00 H new ATOM 0 HA LEU A 60 5.068 4.688 -3.723 1.00 1.00 H new ATOM 0 HB2 LEU A 60 3.245 6.469 -2.111 1.00 1.00 H new ATOM 0 HB3 LEU A 60 3.431 6.834 -3.815 1.00 1.00 H new ATOM 0 HG LEU A 60 1.518 5.303 -3.361 1.00 1.00 H new ATOM 0 HD11 LEU A 60 2.086 3.598 -5.083 1.00 1.00 H new ATOM 0 HD12 LEU A 60 2.654 5.216 -5.558 1.00 1.00 H new ATOM 0 HD13 LEU A 60 3.807 4.019 -4.923 1.00 1.00 H new ATOM 0 HD21 LEU A 60 1.983 2.951 -2.703 1.00 1.00 H new ATOM 0 HD22 LEU A 60 3.702 3.357 -2.490 1.00 1.00 H new ATOM 0 HD23 LEU A 60 2.476 4.092 -1.431 1.00 1.00 H new ATOM 964 N SER A 61 5.924 6.975 -4.721 1.00 1.00 N ATOM 965 CA SER A 61 6.800 8.028 -5.226 1.00 1.00 C ATOM 966 C SER A 61 6.488 9.367 -4.565 1.00 1.00 C ATOM 967 O SER A 61 7.390 10.155 -4.281 1.00 1.00 O ATOM 968 CB SER A 61 6.640 8.157 -6.740 1.00 1.00 C ATOM 969 OG SER A 61 7.441 9.234 -7.206 1.00 1.00 O ATOM 0 H SER A 61 5.341 6.532 -5.431 1.00 1.00 H new ATOM 0 HA SER A 61 7.828 7.756 -4.987 1.00 1.00 H new ATOM 0 HB2 SER A 61 6.937 7.229 -7.229 1.00 1.00 H new ATOM 0 HB3 SER A 61 5.594 8.330 -6.993 1.00 1.00 H new ATOM 0 HG SER A 61 7.342 9.319 -8.177 1.00 1.00 H new ATOM 975 N SER A 62 5.209 9.619 -4.324 1.00 1.00 N ATOM 976 CA SER A 62 4.790 10.869 -3.701 1.00 1.00 C ATOM 977 C SER A 62 3.684 10.620 -2.682 1.00 1.00 C ATOM 978 O SER A 62 3.222 9.491 -2.517 1.00 1.00 O ATOM 979 CB SER A 62 4.290 11.843 -4.768 1.00 1.00 C ATOM 980 OG SER A 62 5.204 11.856 -5.857 1.00 1.00 O ATOM 0 H SER A 62 4.447 8.979 -4.548 1.00 1.00 H new ATOM 0 HA SER A 62 5.650 11.300 -3.188 1.00 1.00 H new ATOM 0 HB2 SER A 62 3.300 11.546 -5.113 1.00 1.00 H new ATOM 0 HB3 SER A 62 4.194 12.844 -4.347 1.00 1.00 H new ATOM 0 HG SER A 62 4.886 12.479 -6.544 1.00 1.00 H new ATOM 986 N ALA A 63 3.264 11.680 -1.999 1.00 1.00 N ATOM 987 CA ALA A 63 2.214 11.567 -0.995 1.00 1.00 C ATOM 988 C ALA A 63 0.863 11.313 -1.654 1.00 1.00 C ATOM 989 O ALA A 63 0.143 10.387 -1.279 1.00 1.00 O ATOM 990 CB ALA A 63 2.147 12.851 -0.165 1.00 1.00 C ATOM 0 H ALA A 63 3.633 12.623 -2.122 1.00 1.00 H new ATOM 0 HA ALA A 63 2.449 10.725 -0.345 1.00 1.00 H new ATOM 0 HB1 ALA A 63 1.360 12.760 0.584 1.00 1.00 H new ATOM 0 HB2 ALA A 63 3.103 13.013 0.332 1.00 1.00 H new ATOM 0 HB3 ALA A 63 1.930 13.696 -0.819 1.00 1.00 H new ATOM 996 N MET A 64 0.521 12.143 -2.634 1.00 1.00 N ATOM 997 CA MET A 64 -0.750 11.999 -3.334 1.00 1.00 C ATOM 998 C MET A 64 -0.932 10.568 -3.832 1.00 1.00 C ATOM 999 O MET A 64 -2.028 10.012 -3.765 1.00 1.00 O ATOM 1000 CB MET A 64 -0.806 12.964 -4.520 1.00 1.00 C ATOM 1001 CG MET A 64 0.243 14.062 -4.334 1.00 1.00 C ATOM 1002 SD MET A 64 -0.088 15.416 -5.487 1.00 1.00 S ATOM 1003 CE MET A 64 0.320 16.775 -4.365 1.00 1.00 C ATOM 0 H MET A 64 1.101 12.916 -2.959 1.00 1.00 H new ATOM 0 HA MET A 64 -1.554 12.233 -2.636 1.00 1.00 H new ATOM 0 HB2 MET A 64 -0.623 12.425 -5.450 1.00 1.00 H new ATOM 0 HB3 MET A 64 -1.800 13.405 -4.597 1.00 1.00 H new ATOM 0 HG2 MET A 64 0.221 14.430 -3.308 1.00 1.00 H new ATOM 0 HG3 MET A 64 1.241 13.659 -4.507 1.00 1.00 H new ATOM 0 HE1 MET A 64 0.183 17.726 -4.880 1.00 1.00 H new ATOM 0 HE2 MET A 64 -0.334 16.737 -3.494 1.00 1.00 H new ATOM 0 HE3 MET A 64 1.357 16.683 -4.044 1.00 1.00 H new ATOM 1013 N ASP A 65 0.147 9.980 -4.337 1.00 1.00 N ATOM 1014 CA ASP A 65 0.092 8.614 -4.847 1.00 1.00 C ATOM 1015 C ASP A 65 -0.403 7.655 -3.769 1.00 1.00 C ATOM 1016 O ASP A 65 -1.249 6.800 -4.027 1.00 1.00 O ATOM 1017 CB ASP A 65 1.479 8.178 -5.325 1.00 1.00 C ATOM 1018 CG ASP A 65 1.666 8.555 -6.791 1.00 1.00 C ATOM 1019 OD1 ASP A 65 1.304 9.664 -7.148 1.00 1.00 O ATOM 1020 OD2 ASP A 65 2.168 7.729 -7.535 1.00 1.00 O ATOM 0 H ASP A 65 1.063 10.423 -4.404 1.00 1.00 H new ATOM 0 HA ASP A 65 -0.605 8.589 -5.684 1.00 1.00 H new ATOM 0 HB2 ASP A 65 2.249 8.654 -4.717 1.00 1.00 H new ATOM 0 HB3 ASP A 65 1.594 7.101 -5.200 1.00 1.00 H new ATOM 1025 N ALA A 66 0.134 7.798 -2.560 1.00 1.00 N ATOM 1026 CA ALA A 66 -0.265 6.934 -1.453 1.00 1.00 C ATOM 1027 C ALA A 66 -1.773 6.993 -1.244 1.00 1.00 C ATOM 1028 O ALA A 66 -2.446 5.963 -1.219 1.00 1.00 O ATOM 1029 CB ALA A 66 0.447 7.362 -0.169 1.00 1.00 C ATOM 0 H ALA A 66 0.839 8.496 -2.323 1.00 1.00 H new ATOM 0 HA ALA A 66 0.017 5.910 -1.699 1.00 1.00 H new ATOM 0 HB1 ALA A 66 0.142 6.711 0.650 1.00 1.00 H new ATOM 0 HB2 ALA A 66 1.525 7.288 -0.309 1.00 1.00 H new ATOM 0 HB3 ALA A 66 0.182 8.392 0.068 1.00 1.00 H new ATOM 1035 N SER A 67 -2.300 8.204 -1.097 1.00 1.00 N ATOM 1036 CA SER A 67 -3.731 8.383 -0.891 1.00 1.00 C ATOM 1037 C SER A 67 -4.513 7.812 -2.069 1.00 1.00 C ATOM 1038 O SER A 67 -5.566 7.199 -1.892 1.00 1.00 O ATOM 1039 CB SER A 67 -4.056 9.868 -0.732 1.00 1.00 C ATOM 1040 OG SER A 67 -3.775 10.541 -1.953 1.00 1.00 O ATOM 0 H SER A 67 -1.761 9.070 -1.117 1.00 1.00 H new ATOM 0 HA SER A 67 -4.019 7.852 0.016 1.00 1.00 H new ATOM 0 HB2 SER A 67 -5.105 9.997 -0.465 1.00 1.00 H new ATOM 0 HB3 SER A 67 -3.466 10.297 0.078 1.00 1.00 H new ATOM 0 HG SER A 67 -2.875 10.303 -2.258 1.00 1.00 H new ATOM 1046 N GLN A 68 -3.988 8.018 -3.272 1.00 1.00 N ATOM 1047 CA GLN A 68 -4.639 7.525 -4.476 1.00 1.00 C ATOM 1048 C GLN A 68 -4.685 6.001 -4.477 1.00 1.00 C ATOM 1049 O GLN A 68 -5.760 5.403 -4.518 1.00 1.00 O ATOM 1050 CB GLN A 68 -3.877 8.015 -5.710 1.00 1.00 C ATOM 1051 CG GLN A 68 -4.800 8.864 -6.586 1.00 1.00 C ATOM 1052 CD GLN A 68 -4.111 9.184 -7.907 1.00 1.00 C ATOM 1053 OE1 GLN A 68 -4.519 8.688 -8.958 1.00 1.00 O ATOM 1054 NE2 GLN A 68 -3.083 9.989 -7.920 1.00 1.00 N ATOM 0 H GLN A 68 -3.116 8.521 -3.437 1.00 1.00 H new ATOM 0 HA GLN A 68 -5.660 7.905 -4.499 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -3.010 8.601 -5.404 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -3.502 7.164 -6.279 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -5.732 8.330 -6.772 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -5.059 9.787 -6.068 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -2.746 10.399 -7.049 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -2.617 10.207 -8.801 1.00 1.00 H new ATOM 1063 N LEU A 69 -3.512 5.374 -4.433 1.00 1.00 N ATOM 1064 CA LEU A 69 -3.436 3.916 -4.433 1.00 1.00 C ATOM 1065 C LEU A 69 -4.369 3.338 -3.375 1.00 1.00 C ATOM 1066 O LEU A 69 -4.886 2.231 -3.527 1.00 1.00 O ATOM 1067 CB LEU A 69 -1.999 3.461 -4.155 1.00 1.00 C ATOM 1068 CG LEU A 69 -1.672 2.227 -5.001 1.00 1.00 C ATOM 1069 CD1 LEU A 69 -0.235 1.785 -4.721 1.00 1.00 C ATOM 1070 CD2 LEU A 69 -2.630 1.089 -4.643 1.00 1.00 C ATOM 0 H LEU A 69 -2.609 5.847 -4.397 1.00 1.00 H new ATOM 0 HA LEU A 69 -3.743 3.554 -5.414 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -1.302 4.266 -4.386 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -1.880 3.230 -3.097 1.00 1.00 H new ATOM 0 HG LEU A 69 -1.781 2.474 -6.057 1.00 1.00 H new ATOM 0 HD11 LEU A 69 -0.001 0.907 -5.322 1.00 1.00 H new ATOM 0 HD12 LEU A 69 0.451 2.593 -4.976 1.00 1.00 H new ATOM 0 HD13 LEU A 69 -0.129 1.540 -3.664 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -2.395 0.212 -5.246 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -2.523 0.842 -3.587 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -3.656 1.401 -4.840 1.00 1.00 H new ATOM 1082 N LEU A 70 -4.580 4.094 -2.306 1.00 1.00 N ATOM 1083 CA LEU A 70 -5.456 3.646 -1.230 1.00 1.00 C ATOM 1084 C LEU A 70 -6.916 3.779 -1.648 1.00 1.00 C ATOM 1085 O LEU A 70 -7.751 2.944 -1.303 1.00 1.00 O ATOM 1086 CB LEU A 70 -5.201 4.474 0.038 1.00 1.00 C ATOM 1087 CG LEU A 70 -4.946 3.548 1.238 1.00 1.00 C ATOM 1088 CD1 LEU A 70 -4.538 4.384 2.453 1.00 1.00 C ATOM 1089 CD2 LEU A 70 -6.217 2.765 1.578 1.00 1.00 C ATOM 0 H LEU A 70 -4.161 5.013 -2.160 1.00 1.00 H new ATOM 0 HA LEU A 70 -5.242 2.598 -1.021 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -4.343 5.129 -0.114 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -6.059 5.115 0.241 1.00 1.00 H new ATOM 0 HG LEU A 70 -4.148 2.851 0.981 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -4.357 3.726 3.303 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -3.628 4.939 2.224 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -5.337 5.083 2.699 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -6.025 2.112 2.429 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -7.017 3.461 1.828 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -6.514 2.163 0.719 1.00 1.00 H new ATOM 1101 N GLN A 71 -7.219 4.835 -2.394 1.00 1.00 N ATOM 1102 CA GLN A 71 -8.580 5.069 -2.856 1.00 1.00 C ATOM 1103 C GLN A 71 -8.876 4.260 -4.116 1.00 1.00 C ATOM 1104 O GLN A 71 -10.029 3.947 -4.408 1.00 1.00 O ATOM 1105 CB GLN A 71 -8.781 6.555 -3.143 1.00 1.00 C ATOM 1106 CG GLN A 71 -10.152 6.770 -3.788 1.00 1.00 C ATOM 1107 CD GLN A 71 -10.665 8.172 -3.471 1.00 1.00 C ATOM 1108 OE1 GLN A 71 -10.581 8.627 -2.251 1.00 1.00 O flip ATOM 1109 NE2 GLN A 71 -11.150 8.871 -4.360 1.00 1.00 N flip ATOM 0 H GLN A 71 -6.543 5.539 -2.690 1.00 1.00 H new ATOM 0 HA GLN A 71 -9.266 4.751 -2.071 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -8.709 7.128 -2.218 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -7.995 6.918 -3.805 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -10.080 6.636 -4.867 1.00 1.00 H new ATOM 0 HG3 GLN A 71 -10.857 6.024 -3.420 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -11.214 8.512 -5.313 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -11.488 9.809 -4.144 1.00 1.00 H new ATOM 1118 N ILE A 72 -7.827 3.934 -4.867 1.00 1.00 N ATOM 1119 CA ILE A 72 -7.991 3.171 -6.099 1.00 1.00 C ATOM 1120 C ILE A 72 -8.221 1.692 -5.804 1.00 1.00 C ATOM 1121 O ILE A 72 -9.028 1.038 -6.463 1.00 1.00 O ATOM 1122 CB ILE A 72 -6.749 3.332 -6.979 1.00 1.00 C ATOM 1123 CG1 ILE A 72 -6.759 4.720 -7.622 1.00 1.00 C ATOM 1124 CG2 ILE A 72 -6.757 2.264 -8.074 1.00 1.00 C ATOM 1125 CD1 ILE A 72 -5.389 5.008 -8.241 1.00 1.00 C ATOM 0 H ILE A 72 -6.863 4.184 -4.646 1.00 1.00 H new ATOM 0 HA ILE A 72 -8.865 3.557 -6.623 1.00 1.00 H new ATOM 0 HB ILE A 72 -5.853 3.219 -6.368 1.00 1.00 H new ATOM 0 HG12 ILE A 72 -7.533 4.772 -8.387 1.00 1.00 H new ATOM 0 HG13 ILE A 72 -6.998 5.477 -6.875 1.00 1.00 H new ATOM 0 HG21 ILE A 72 -5.873 2.379 -8.701 1.00 1.00 H new ATOM 0 HG22 ILE A 72 -6.752 1.274 -7.617 1.00 1.00 H new ATOM 0 HG23 ILE A 72 -7.652 2.377 -8.686 1.00 1.00 H new ATOM 0 HD11 ILE A 72 -5.397 5.997 -8.699 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -4.625 4.974 -7.465 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -5.168 4.258 -9.001 1.00 1.00 H new ATOM 1137 N LEU A 73 -7.503 1.168 -4.815 1.00 1.00 N ATOM 1138 CA LEU A 73 -7.641 -0.239 -4.453 1.00 1.00 C ATOM 1139 C LEU A 73 -8.875 -0.458 -3.580 1.00 1.00 C ATOM 1140 O LEU A 73 -9.493 -1.520 -3.624 1.00 1.00 O ATOM 1141 CB LEU A 73 -6.390 -0.711 -3.706 1.00 1.00 C ATOM 1142 CG LEU A 73 -6.381 -2.241 -3.628 1.00 1.00 C ATOM 1143 CD1 LEU A 73 -5.702 -2.819 -4.873 1.00 1.00 C ATOM 1144 CD2 LEU A 73 -5.606 -2.679 -2.384 1.00 1.00 C ATOM 0 H LEU A 73 -6.827 1.689 -4.256 1.00 1.00 H new ATOM 0 HA LEU A 73 -7.758 -0.818 -5.369 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -5.495 -0.358 -4.218 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -6.372 -0.286 -2.702 1.00 1.00 H new ATOM 0 HG LEU A 73 -7.407 -2.605 -3.573 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -5.698 -3.907 -4.813 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -6.248 -2.507 -5.763 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -4.676 -2.455 -4.930 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -5.597 -3.767 -2.325 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.582 -2.311 -2.445 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -6.086 -2.271 -1.494 1.00 1.00 H new ATOM 1156 N GLN A 74 -9.229 0.551 -2.790 1.00 1.00 N ATOM 1157 CA GLN A 74 -10.398 0.444 -1.917 1.00 1.00 C ATOM 1158 C GLN A 74 -11.670 0.845 -2.660 1.00 1.00 C ATOM 1159 O GLN A 74 -12.777 0.580 -2.194 1.00 1.00 O ATOM 1160 CB GLN A 74 -10.229 1.328 -0.677 1.00 1.00 C ATOM 1161 CG GLN A 74 -9.091 0.785 0.191 1.00 1.00 C ATOM 1162 CD GLN A 74 -8.978 1.607 1.470 1.00 1.00 C ATOM 1163 OE1 GLN A 74 -9.373 2.774 1.491 1.00 1.00 O ATOM 1164 NE2 GLN A 74 -8.473 1.066 2.543 1.00 1.00 N ATOM 0 H GLN A 74 -8.733 1.441 -2.734 1.00 1.00 H new ATOM 0 HA GLN A 74 -10.485 -0.597 -1.604 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -10.014 2.354 -0.976 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -11.157 1.351 -0.105 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -9.276 -0.261 0.436 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -8.151 0.823 -0.360 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -8.147 0.100 2.522 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -8.404 1.609 3.404 1.00 1.00 H new ATOM 1173 N SER A 75 -11.508 1.479 -3.820 1.00 1.00 N ATOM 1174 CA SER A 75 -12.657 1.899 -4.612 1.00 1.00 C ATOM 1175 C SER A 75 -13.355 0.683 -5.205 1.00 1.00 C ATOM 1176 O SER A 75 -14.555 0.712 -5.480 1.00 1.00 O ATOM 1177 CB SER A 75 -12.206 2.832 -5.736 1.00 1.00 C ATOM 1178 OG SER A 75 -13.121 2.739 -6.820 1.00 1.00 O ATOM 0 H SER A 75 -10.602 1.710 -4.227 1.00 1.00 H new ATOM 0 HA SER A 75 -13.354 2.431 -3.964 1.00 1.00 H new ATOM 0 HB2 SER A 75 -12.157 3.859 -5.374 1.00 1.00 H new ATOM 0 HB3 SER A 75 -11.203 2.562 -6.067 1.00 1.00 H new ATOM 0 HG SER A 75 -12.835 3.337 -7.542 1.00 1.00 H new ATOM 1184 N LEU A 76 -12.592 -0.388 -5.389 1.00 1.00 N ATOM 1185 CA LEU A 76 -13.143 -1.622 -5.942 1.00 1.00 C ATOM 1186 C LEU A 76 -14.059 -2.286 -4.922 1.00 1.00 C ATOM 1187 O LEU A 76 -13.749 -2.332 -3.732 1.00 1.00 O ATOM 1188 CB LEU A 76 -12.012 -2.585 -6.324 1.00 1.00 C ATOM 1189 CG LEU A 76 -11.081 -1.922 -7.346 1.00 1.00 C ATOM 1190 CD1 LEU A 76 -9.923 -2.869 -7.669 1.00 1.00 C ATOM 1191 CD2 LEU A 76 -11.855 -1.612 -8.632 1.00 1.00 C ATOM 0 H LEU A 76 -11.598 -0.429 -5.166 1.00 1.00 H new ATOM 0 HA LEU A 76 -13.717 -1.377 -6.836 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -11.448 -2.867 -5.435 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -12.429 -3.502 -6.741 1.00 1.00 H new ATOM 0 HG LEU A 76 -10.692 -0.994 -6.927 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -9.260 -2.399 -8.396 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -9.366 -3.087 -6.758 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -10.317 -3.797 -8.084 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -11.188 -1.141 -9.354 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -12.249 -2.538 -9.052 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -12.680 -0.936 -8.406 1.00 1.00 H new ATOM 1203 N HIS A 77 -15.191 -2.798 -5.394 1.00 1.00 N ATOM 1204 CA HIS A 77 -16.148 -3.453 -4.504 1.00 1.00 C ATOM 1205 C HIS A 77 -15.482 -4.584 -3.717 1.00 1.00 C ATOM 1206 O HIS A 77 -15.513 -4.581 -2.488 1.00 1.00 O ATOM 1207 CB HIS A 77 -17.344 -3.995 -5.294 1.00 1.00 C ATOM 1208 CG HIS A 77 -18.565 -3.180 -4.967 1.00 1.00 C ATOM 1209 ND1 HIS A 77 -19.167 -3.222 -3.719 1.00 1.00 N ATOM 1210 CD2 HIS A 77 -19.310 -2.302 -5.713 1.00 1.00 C ATOM 1211 CE1 HIS A 77 -20.224 -2.391 -3.751 1.00 1.00 C ATOM 1212 NE2 HIS A 77 -20.358 -1.805 -4.943 1.00 1.00 N ATOM 0 H HIS A 77 -15.468 -2.774 -6.375 1.00 1.00 H new ATOM 0 HA HIS A 77 -16.507 -2.705 -3.797 1.00 1.00 H new ATOM 0 HB2 HIS A 77 -17.139 -3.951 -6.364 1.00 1.00 H new ATOM 0 HB3 HIS A 77 -17.514 -5.043 -5.045 1.00 1.00 H new ATOM 0 HD2 HIS A 77 -19.113 -2.037 -6.741 1.00 1.00 H new ATOM 0 HE1 HIS A 77 -20.884 -2.219 -2.914 1.00 1.00 H new ATOM 0 HE2 HIS A 77 -21.074 -1.137 -5.228 1.00 1.00 H new ATOM 1220 N PRO A 78 -14.885 -5.546 -4.385 1.00 1.00 N ATOM 1221 CA PRO A 78 -14.209 -6.688 -3.698 1.00 1.00 C ATOM 1222 C PRO A 78 -12.857 -6.276 -3.092 1.00 1.00 C ATOM 1223 O PRO A 78 -11.932 -5.944 -3.834 1.00 1.00 O ATOM 1224 CB PRO A 78 -14.001 -7.706 -4.819 1.00 1.00 C ATOM 1225 CG PRO A 78 -13.913 -6.901 -6.070 1.00 1.00 C ATOM 1226 CD PRO A 78 -14.783 -5.661 -5.854 1.00 1.00 C ATOM 0 HA PRO A 78 -14.797 -7.070 -2.864 1.00 1.00 H new ATOM 0 HB2 PRO A 78 -13.092 -8.286 -4.660 1.00 1.00 H new ATOM 0 HB3 PRO A 78 -14.828 -8.415 -4.865 1.00 1.00 H new ATOM 0 HG2 PRO A 78 -12.881 -6.619 -6.277 1.00 1.00 H new ATOM 0 HG3 PRO A 78 -14.264 -7.476 -6.927 1.00 1.00 H new ATOM 0 HD2 PRO A 78 -14.328 -4.773 -6.293 1.00 1.00 H new ATOM 0 HD3 PRO A 78 -15.764 -5.777 -6.314 1.00 1.00 H new ATOM 1234 N PRO A 79 -12.708 -6.287 -1.781 1.00 1.00 N ATOM 1235 CA PRO A 79 -11.420 -5.902 -1.131 1.00 1.00 C ATOM 1236 C PRO A 79 -10.225 -6.600 -1.776 1.00 1.00 C ATOM 1237 O PRO A 79 -10.377 -7.341 -2.747 1.00 1.00 O ATOM 1238 CB PRO A 79 -11.588 -6.351 0.322 1.00 1.00 C ATOM 1239 CG PRO A 79 -13.060 -6.375 0.565 1.00 1.00 C ATOM 1240 CD PRO A 79 -13.728 -6.659 -0.780 1.00 1.00 C ATOM 0 HA PRO A 79 -11.219 -4.835 -1.228 1.00 1.00 H new ATOM 0 HB2 PRO A 79 -11.148 -7.335 0.482 1.00 1.00 H new ATOM 0 HB3 PRO A 79 -11.089 -5.664 1.005 1.00 1.00 H new ATOM 0 HG2 PRO A 79 -13.318 -7.143 1.294 1.00 1.00 H new ATOM 0 HG3 PRO A 79 -13.400 -5.422 0.971 1.00 1.00 H new ATOM 0 HD2 PRO A 79 -14.010 -7.708 -0.870 1.00 1.00 H new ATOM 0 HD3 PRO A 79 -14.639 -6.073 -0.903 1.00 1.00 H new ATOM 1248 N LEU A 80 -9.037 -6.364 -1.228 1.00 1.00 N ATOM 1249 CA LEU A 80 -7.830 -6.984 -1.763 1.00 1.00 C ATOM 1250 C LEU A 80 -7.743 -8.436 -1.302 1.00 1.00 C ATOM 1251 O LEU A 80 -7.750 -8.714 -0.102 1.00 1.00 O ATOM 1252 CB LEU A 80 -6.597 -6.202 -1.296 1.00 1.00 C ATOM 1253 CG LEU A 80 -5.324 -6.798 -1.915 1.00 1.00 C ATOM 1254 CD1 LEU A 80 -5.371 -6.665 -3.440 1.00 1.00 C ATOM 1255 CD2 LEU A 80 -4.104 -6.043 -1.381 1.00 1.00 C ATOM 0 H LEU A 80 -8.885 -5.756 -0.424 1.00 1.00 H new ATOM 0 HA LEU A 80 -7.868 -6.966 -2.852 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -6.692 -5.154 -1.581 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -6.529 -6.231 -0.209 1.00 1.00 H new ATOM 0 HG LEU A 80 -5.256 -7.853 -1.649 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -4.464 -7.090 -3.870 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.240 -7.198 -3.825 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -5.442 -5.612 -3.711 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -3.197 -6.462 -1.817 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -4.182 -4.989 -1.649 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -4.063 -6.139 -0.296 1.00 1.00 H new ATOM 1267 N LYS A 81 -7.675 -9.354 -2.263 1.00 1.00 N ATOM 1268 CA LYS A 81 -7.602 -10.780 -1.951 1.00 1.00 C ATOM 1269 C LYS A 81 -6.290 -11.378 -2.444 1.00 1.00 C ATOM 1270 O LYS A 81 -5.892 -11.182 -3.592 1.00 1.00 O ATOM 1271 CB LYS A 81 -8.786 -11.513 -2.598 1.00 1.00 C ATOM 1272 CG LYS A 81 -8.688 -13.032 -2.365 1.00 1.00 C ATOM 1273 CD LYS A 81 -8.703 -13.338 -0.867 1.00 1.00 C ATOM 1274 CE LYS A 81 -9.444 -14.657 -0.630 1.00 1.00 C ATOM 1275 NZ LYS A 81 -9.396 -15.001 0.818 1.00 1.00 N ATOM 0 H LYS A 81 -7.669 -9.138 -3.260 1.00 1.00 H new ATOM 0 HA LYS A 81 -7.647 -10.900 -0.869 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -9.721 -11.137 -2.183 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -8.806 -11.306 -3.668 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -9.520 -13.537 -2.855 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -7.772 -13.418 -2.813 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -7.684 -13.406 -0.487 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -9.192 -12.530 -0.323 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -10.479 -14.569 -0.960 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -8.989 -15.453 -1.219 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -10.153 -15.678 1.039 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -8.474 -15.427 1.043 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -9.527 -14.139 1.384 1.00 1.00 H new ATOM 1289 N ILE A 82 -5.639 -12.127 -1.564 1.00 1.00 N ATOM 1290 CA ILE A 82 -4.384 -12.786 -1.897 1.00 1.00 C ATOM 1291 C ILE A 82 -4.422 -14.217 -1.376 1.00 1.00 C ATOM 1292 O ILE A 82 -4.835 -14.448 -0.239 1.00 1.00 O ATOM 1293 CB ILE A 82 -3.207 -12.032 -1.268 1.00 1.00 C ATOM 1294 CG1 ILE A 82 -3.169 -10.601 -1.818 1.00 1.00 C ATOM 1295 CG2 ILE A 82 -1.896 -12.746 -1.612 1.00 1.00 C ATOM 1296 CD1 ILE A 82 -2.098 -9.788 -1.086 1.00 1.00 C ATOM 0 H ILE A 82 -5.961 -12.294 -0.611 1.00 1.00 H new ATOM 0 HA ILE A 82 -4.253 -12.792 -2.979 1.00 1.00 H new ATOM 0 HB ILE A 82 -3.330 -12.005 -0.185 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -2.957 -10.619 -2.887 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -4.144 -10.129 -1.694 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -1.060 -12.208 -1.164 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -1.923 -13.764 -1.223 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -1.770 -12.775 -2.694 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -2.077 -8.773 -1.483 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -2.329 -9.757 -0.021 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -1.124 -10.254 -1.232 1.00 1.00 H new ATOM 1308 N ASP A 83 -4.010 -15.167 -2.215 1.00 1.00 N ATOM 1309 CA ASP A 83 -4.016 -16.578 -1.828 1.00 1.00 C ATOM 1310 C ASP A 83 -3.710 -16.735 -0.343 1.00 1.00 C ATOM 1311 O ASP A 83 -2.561 -16.604 0.082 1.00 1.00 O ATOM 1312 CB ASP A 83 -2.975 -17.345 -2.645 1.00 1.00 C ATOM 1313 CG ASP A 83 -3.379 -17.364 -4.114 1.00 1.00 C ATOM 1314 OD1 ASP A 83 -3.731 -16.313 -4.625 1.00 1.00 O ATOM 1315 OD2 ASP A 83 -3.330 -18.429 -4.709 1.00 1.00 O ATOM 0 H ASP A 83 -3.670 -14.988 -3.160 1.00 1.00 H new ATOM 0 HA ASP A 83 -5.009 -16.982 -2.025 1.00 1.00 H new ATOM 0 HB2 ASP A 83 -1.997 -16.877 -2.534 1.00 1.00 H new ATOM 0 HB3 ASP A 83 -2.885 -18.365 -2.270 1.00 1.00 H new ATOM 1320 N GLY A 84 -4.747 -17.014 0.442 1.00 1.00 N ATOM 1321 CA GLY A 84 -4.572 -17.184 1.876 1.00 1.00 C ATOM 1322 C GLY A 84 -5.737 -16.590 2.667 1.00 1.00 C ATOM 1323 O GLY A 84 -6.277 -17.239 3.563 1.00 1.00 O ATOM 0 H GLY A 84 -5.706 -17.126 0.112 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -4.480 -18.245 2.107 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -3.642 -16.708 2.187 1.00 1.00 H new ATOM 1327 N LYS A 85 -6.111 -15.353 2.348 1.00 1.00 N ATOM 1328 CA LYS A 85 -7.204 -14.699 3.065 1.00 1.00 C ATOM 1329 C LYS A 85 -7.434 -13.283 2.544 1.00 1.00 C ATOM 1330 O LYS A 85 -6.789 -12.850 1.588 1.00 1.00 O ATOM 1331 CB LYS A 85 -6.880 -14.643 4.561 1.00 1.00 C ATOM 1332 CG LYS A 85 -5.371 -14.456 4.751 1.00 1.00 C ATOM 1333 CD LYS A 85 -5.111 -13.641 6.020 1.00 1.00 C ATOM 1334 CE LYS A 85 -3.718 -13.967 6.559 1.00 1.00 C ATOM 1335 NZ LYS A 85 -3.734 -15.314 7.195 1.00 1.00 N ATOM 0 H LYS A 85 -5.683 -14.792 1.612 1.00 1.00 H new ATOM 0 HA LYS A 85 -8.112 -15.280 2.902 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -7.421 -13.821 5.030 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -7.208 -15.561 5.049 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -4.880 -15.427 4.823 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -4.946 -13.947 3.886 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -5.188 -12.576 5.803 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -5.866 -13.869 6.772 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -2.989 -13.944 5.749 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -3.412 -13.214 7.285 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -2.945 -15.390 7.868 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -4.633 -15.449 7.700 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -3.635 -16.045 6.462 1.00 1.00 H new ATOM 1349 N THR A 86 -8.359 -12.567 3.180 1.00 1.00 N ATOM 1350 CA THR A 86 -8.673 -11.199 2.776 1.00 1.00 C ATOM 1351 C THR A 86 -7.569 -10.245 3.218 1.00 1.00 C ATOM 1352 O THR A 86 -6.990 -10.408 4.291 1.00 1.00 O ATOM 1353 CB THR A 86 -10.004 -10.765 3.392 1.00 1.00 C ATOM 1354 OG1 THR A 86 -10.292 -9.431 2.999 1.00 1.00 O ATOM 1355 CG2 THR A 86 -9.912 -10.842 4.916 1.00 1.00 C ATOM 0 H THR A 86 -8.901 -12.909 3.973 1.00 1.00 H new ATOM 0 HA THR A 86 -8.750 -11.169 1.689 1.00 1.00 H new ATOM 0 HB THR A 86 -10.799 -11.426 3.045 1.00 1.00 H new ATOM 0 HG1 THR A 86 -11.145 -9.151 3.391 1.00 1.00 H new ATOM 0 HG21 THR A 86 -10.861 -10.532 5.354 1.00 1.00 H new ATOM 0 HG22 THR A 86 -9.691 -11.866 5.216 1.00 1.00 H new ATOM 0 HG23 THR A 86 -9.118 -10.182 5.266 1.00 1.00 H new ATOM 1363 N ILE A 87 -7.282 -9.253 2.376 1.00 1.00 N ATOM 1364 CA ILE A 87 -6.239 -8.277 2.679 1.00 1.00 C ATOM 1365 C ILE A 87 -6.814 -6.862 2.726 1.00 1.00 C ATOM 1366 O ILE A 87 -7.619 -6.479 1.873 1.00 1.00 O ATOM 1367 CB ILE A 87 -5.143 -8.358 1.617 1.00 1.00 C ATOM 1368 CG1 ILE A 87 -4.510 -9.755 1.649 1.00 1.00 C ATOM 1369 CG2 ILE A 87 -4.079 -7.291 1.884 1.00 1.00 C ATOM 1370 CD1 ILE A 87 -3.342 -9.786 2.638 1.00 1.00 C ATOM 0 H ILE A 87 -7.754 -9.105 1.484 1.00 1.00 H new ATOM 0 HA ILE A 87 -5.819 -8.507 3.658 1.00 1.00 H new ATOM 0 HB ILE A 87 -5.575 -8.181 0.632 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -5.258 -10.494 1.936 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -4.160 -10.026 0.653 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -3.301 -7.355 1.123 1.00 1.00 H new ATOM 0 HG22 ILE A 87 -4.538 -6.303 1.852 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -3.639 -7.454 2.868 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.902 -10.783 2.651 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -2.588 -9.061 2.333 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -3.703 -9.536 3.636 1.00 1.00 H new ATOM 1382 N GLY A 88 -6.394 -6.095 3.732 1.00 1.00 N ATOM 1383 CA GLY A 88 -6.870 -4.724 3.898 1.00 1.00 C ATOM 1384 C GLY A 88 -5.751 -3.713 3.658 1.00 1.00 C ATOM 1385 O GLY A 88 -4.591 -4.085 3.480 1.00 1.00 O ATOM 0 H GLY A 88 -5.727 -6.399 4.441 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -7.689 -4.535 3.203 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -7.269 -4.595 4.904 1.00 1.00 H new ATOM 1389 N VAL A 89 -6.114 -2.431 3.660 1.00 1.00 N ATOM 1390 CA VAL A 89 -5.142 -1.363 3.444 1.00 1.00 C ATOM 1391 C VAL A 89 -5.273 -0.291 4.524 1.00 1.00 C ATOM 1392 O VAL A 89 -6.380 0.052 4.939 1.00 1.00 O ATOM 1393 CB VAL A 89 -5.367 -0.730 2.070 1.00 1.00 C ATOM 1394 CG1 VAL A 89 -4.175 0.160 1.714 1.00 1.00 C ATOM 1395 CG2 VAL A 89 -5.509 -1.833 1.019 1.00 1.00 C ATOM 0 H VAL A 89 -7.070 -2.109 3.808 1.00 1.00 H new ATOM 0 HA VAL A 89 -4.141 -1.791 3.492 1.00 1.00 H new ATOM 0 HB VAL A 89 -6.275 -0.128 2.093 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -4.337 0.610 0.735 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -4.071 0.946 2.462 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -3.266 -0.441 1.691 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -5.669 -1.383 0.039 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -4.600 -2.435 0.998 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -6.359 -2.468 1.270 1.00 1.00 H new ATOM 1405 N ASP A 90 -4.137 0.237 4.974 1.00 1.00 N ATOM 1406 CA ASP A 90 -4.142 1.269 6.005 1.00 1.00 C ATOM 1407 C ASP A 90 -3.029 2.286 5.756 1.00 1.00 C ATOM 1408 O ASP A 90 -2.101 2.030 4.989 1.00 1.00 O ATOM 1409 CB ASP A 90 -3.953 0.630 7.383 1.00 1.00 C ATOM 1410 CG ASP A 90 -4.112 -0.883 7.285 1.00 1.00 C ATOM 1411 OD1 ASP A 90 -5.201 -1.324 6.953 1.00 1.00 O ATOM 1412 OD2 ASP A 90 -3.145 -1.579 7.547 1.00 1.00 O ATOM 0 H ASP A 90 -3.210 -0.030 4.644 1.00 1.00 H new ATOM 0 HA ASP A 90 -5.102 1.785 5.971 1.00 1.00 H new ATOM 0 HB2 ASP A 90 -2.965 0.875 7.774 1.00 1.00 H new ATOM 0 HB3 ASP A 90 -4.683 1.036 8.084 1.00 1.00 H new ATOM 1417 N PHE A 91 -3.129 3.438 6.414 1.00 1.00 N ATOM 1418 CA PHE A 91 -2.127 4.488 6.262 1.00 1.00 C ATOM 1419 C PHE A 91 -0.936 4.227 7.178 1.00 1.00 C ATOM 1420 O PHE A 91 -0.964 3.314 8.004 1.00 1.00 O ATOM 1421 CB PHE A 91 -2.740 5.846 6.605 1.00 1.00 C ATOM 1422 CG PHE A 91 -3.349 6.460 5.367 1.00 1.00 C ATOM 1423 CD1 PHE A 91 -2.523 6.924 4.337 1.00 1.00 C ATOM 1424 CD2 PHE A 91 -4.740 6.570 5.251 1.00 1.00 C ATOM 1425 CE1 PHE A 91 -3.087 7.496 3.190 1.00 1.00 C ATOM 1426 CE2 PHE A 91 -5.305 7.144 4.105 1.00 1.00 C ATOM 1427 CZ PHE A 91 -4.477 7.607 3.075 1.00 1.00 C ATOM 0 H PHE A 91 -3.889 3.667 7.054 1.00 1.00 H new ATOM 0 HA PHE A 91 -1.785 4.491 5.227 1.00 1.00 H new ATOM 0 HB2 PHE A 91 -3.502 5.727 7.375 1.00 1.00 H new ATOM 0 HB3 PHE A 91 -1.976 6.508 7.012 1.00 1.00 H new ATOM 0 HD1 PHE A 91 -1.450 6.841 4.427 1.00 1.00 H new ATOM 0 HD2 PHE A 91 -5.378 6.212 6.046 1.00 1.00 H new ATOM 0 HE1 PHE A 91 -2.449 7.851 2.394 1.00 1.00 H new ATOM 0 HE2 PHE A 91 -6.378 7.229 4.016 1.00 1.00 H new ATOM 0 HZ PHE A 91 -4.912 8.050 2.191 1.00 1.00 H new ATOM 1437 N ALA A 92 0.108 5.036 7.030 1.00 1.00 N ATOM 1438 CA ALA A 92 1.303 4.886 7.853 1.00 1.00 C ATOM 1439 C ALA A 92 0.935 4.873 9.333 1.00 1.00 C ATOM 1440 O ALA A 92 0.907 5.917 9.985 1.00 1.00 O ATOM 1441 CB ALA A 92 2.273 6.037 7.577 1.00 1.00 C ATOM 0 H ALA A 92 0.151 5.797 6.353 1.00 1.00 H new ATOM 0 HA ALA A 92 1.780 3.939 7.600 1.00 1.00 H new ATOM 0 HB1 ALA A 92 3.163 5.919 8.195 1.00 1.00 H new ATOM 0 HB2 ALA A 92 2.558 6.028 6.525 1.00 1.00 H new ATOM 0 HB3 ALA A 92 1.790 6.985 7.814 1.00 1.00 H new ATOM 1447 N LYS A 93 0.653 3.685 9.856 1.00 1.00 N ATOM 1448 CA LYS A 93 0.286 3.545 11.260 1.00 1.00 C ATOM 1449 C LYS A 93 0.988 2.342 11.882 1.00 1.00 C ATOM 1450 O LYS A 93 1.791 1.675 11.229 1.00 1.00 O ATOM 1451 CB LYS A 93 -1.229 3.379 11.390 1.00 1.00 C ATOM 1452 CG LYS A 93 -1.837 4.652 11.984 1.00 1.00 C ATOM 1453 CD LYS A 93 -3.352 4.485 12.114 1.00 1.00 C ATOM 1454 CE LYS A 93 -3.683 3.870 13.473 1.00 1.00 C ATOM 1455 NZ LYS A 93 -5.158 3.678 13.586 1.00 1.00 N ATOM 0 H LYS A 93 0.671 2.810 9.332 1.00 1.00 H new ATOM 0 HA LYS A 93 0.599 4.445 11.789 1.00 1.00 H new ATOM 0 HB2 LYS A 93 -1.668 3.176 10.413 1.00 1.00 H new ATOM 0 HB3 LYS A 93 -1.458 2.524 12.026 1.00 1.00 H new ATOM 0 HG2 LYS A 93 -1.398 4.855 12.961 1.00 1.00 H new ATOM 0 HG3 LYS A 93 -1.609 5.507 11.348 1.00 1.00 H new ATOM 0 HD2 LYS A 93 -3.845 5.452 12.011 1.00 1.00 H new ATOM 0 HD3 LYS A 93 -3.728 3.848 11.313 1.00 1.00 H new ATOM 0 HE2 LYS A 93 -3.171 2.914 13.586 1.00 1.00 H new ATOM 0 HE3 LYS A 93 -3.327 4.518 14.274 1.00 1.00 H new ATOM 0 HZ1 LYS A 93 -5.384 3.259 14.511 1.00 1.00 H new ATOM 0 HZ2 LYS A 93 -5.636 4.597 13.496 1.00 1.00 H new ATOM 0 HZ3 LYS A 93 -5.484 3.043 12.830 1.00 1.00 H new ATOM 1469 N SER A 94 0.679 2.070 13.145 1.00 1.00 N ATOM 1470 CA SER A 94 1.285 0.943 13.845 1.00 1.00 C ATOM 1471 C SER A 94 0.735 0.833 15.262 1.00 1.00 C ATOM 1472 O SER A 94 1.279 1.421 16.197 1.00 1.00 O ATOM 1473 CB SER A 94 2.803 1.120 13.898 1.00 1.00 C ATOM 1474 OG SER A 94 3.333 0.311 14.939 1.00 1.00 O ATOM 0 H SER A 94 0.017 2.610 13.702 1.00 1.00 H new ATOM 0 HA SER A 94 1.043 0.029 13.303 1.00 1.00 H new ATOM 0 HB2 SER A 94 3.247 0.841 12.943 1.00 1.00 H new ATOM 0 HB3 SER A 94 3.053 2.167 14.072 1.00 1.00 H new ATOM 0 HG SER A 94 3.017 0.644 15.805 1.00 1.00 H new ATOM 1480 N ALA A 95 -0.348 0.078 15.414 1.00 1.00 N ATOM 1481 CA ALA A 95 -0.965 -0.102 16.724 1.00 1.00 C ATOM 1482 C ALA A 95 -1.468 1.232 17.266 1.00 1.00 C ATOM 1483 O ALA A 95 -1.108 2.253 16.703 1.00 1.00 O ATOM 1484 CB ALA A 95 0.047 -0.702 17.699 1.00 1.00 C ATOM 1485 OXT ALA A 95 -2.207 1.214 18.237 1.00 1.00 O ATOM 0 H ALA A 95 -0.814 -0.416 14.653 1.00 1.00 H new ATOM 0 HA ALA A 95 -1.811 -0.780 16.617 1.00 1.00 H new ATOM 0 HB1 ALA A 95 -0.421 -0.833 18.675 1.00 1.00 H new ATOM 0 HB2 ALA A 95 0.383 -1.669 17.325 1.00 1.00 H new ATOM 0 HB3 ALA A 95 0.902 -0.032 17.794 1.00 1.00 H new TER 1491 ALA A 95