USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 650 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 41 SER OG : rot 180:sc= -0.69 USER MOD Set 1.2: A 64 THR OG1 : rot 180:sc= -0.301 USER MOD Set 2.1: A 46 SER OG : rot 150:sc= -0.901 USER MOD Set 2.2: A 48 MET CE :methyl -165:sc= -3.79! (180deg=-2.96) USER MOD Set 3.1: A 40 LYS NZ :NH3+ -147:sc= -1.22! (180deg=-4.8!) USER MOD Set 3.2: A 52 SER OG : rot -10:sc= 1.15 USER MOD Set 4.1: A 34 ASN : amide:sc= -5.7! C(o=-6.1!,f=-7.8!) USER MOD Set 4.2: A 43 ASN : amide:sc= -0.391 K(o=-6.1,f=-5.4) USER MOD Set 5.1: A 12 THR OG1 : rot -120:sc= -0.482! USER MOD Set 5.2: A 15 HIS : no HD1:sc= -20.3! C(o=-21!,f=-44!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -21.1! C(o=-21!,f=-15!) USER MOD Single : A 20 THR OG1 : rot 100:sc= -0.0786! USER MOD Single : A 24 GLN : amide:sc= -0.495 X(o=-0.5,f=-0.65) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 65:sc= 0.643 USER MOD Single : A 28 LYS NZ :NH3+ -129:sc= 0.572 (180deg=-2.64!) USER MOD Single : A 30 ASN : amide:sc= -0.0105 X(o=-0.01,f=-0.11) USER MOD Single : A 31 SER OG : rot 4:sc= -6.52! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 169:sc= -3.14! (180deg=-4.13!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.186 USER MOD Single : A 62 THR OG1 : rot 140:sc= -8.41! USER MOD Single : A 74 MET CE :methyl -113:sc= -7.12! (180deg=-8.96!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.125 K(o=-0.12,f=-1.7!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 2 -1.638 -9.514 -8.809 1.00 1.00 N ATOM 19 CA GLU A 2 -2.753 -8.583 -8.847 1.00 1.00 C ATOM 20 C GLU A 2 -2.340 -7.235 -8.252 1.00 1.00 C ATOM 21 O GLU A 2 -2.346 -7.062 -7.034 1.00 1.00 O ATOM 22 CB GLU A 2 -3.970 -9.155 -8.117 1.00 1.00 C ATOM 23 CG GLU A 2 -4.843 -9.978 -9.067 1.00 1.00 C ATOM 24 CD GLU A 2 -6.293 -9.489 -9.042 1.00 1.00 C ATOM 25 OE1 GLU A 2 -6.717 -9.026 -7.961 1.00 1.00 O ATOM 26 OE2 GLU A 2 -6.944 -9.590 -10.104 1.00 1.00 O ATOM 0 HA GLU A 2 -3.035 -8.427 -9.888 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -3.640 -9.780 -7.287 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -4.557 -8.342 -7.690 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -4.449 -9.908 -10.081 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -4.805 -11.029 -8.782 1.00 1.00 H new ATOM 33 N LYS A 3 -1.991 -6.315 -9.139 1.00 1.00 N ATOM 34 CA LYS A 3 -1.576 -4.988 -8.717 1.00 1.00 C ATOM 35 C LYS A 3 -2.769 -4.035 -8.800 1.00 1.00 C ATOM 36 O LYS A 3 -3.632 -4.188 -9.663 1.00 1.00 O ATOM 37 CB LYS A 3 -0.361 -4.525 -9.523 1.00 1.00 C ATOM 38 CG LYS A 3 -0.680 -3.256 -10.315 1.00 1.00 C ATOM 39 CD LYS A 3 0.410 -2.966 -11.349 1.00 1.00 C ATOM 40 CE LYS A 3 0.361 -3.978 -12.495 1.00 1.00 C ATOM 41 NZ LYS A 3 0.645 -3.312 -13.787 1.00 1.00 N ATOM 0 H LYS A 3 -1.987 -6.462 -10.148 1.00 1.00 H new ATOM 0 HA LYS A 3 -1.252 -5.003 -7.676 1.00 1.00 H new ATOM 0 HB2 LYS A 3 0.476 -4.337 -8.850 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -0.050 -5.316 -10.206 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -1.641 -3.368 -10.816 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -0.773 -2.411 -9.633 1.00 1.00 H new ATOM 0 HD2 LYS A 3 0.283 -1.958 -11.744 1.00 1.00 H new ATOM 0 HD3 LYS A 3 1.389 -3.000 -10.870 1.00 1.00 H new ATOM 0 HE2 LYS A 3 1.089 -4.770 -12.320 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -0.621 -4.449 -12.530 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 0.608 -4.013 -14.554 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -0.065 -2.572 -13.959 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 1.592 -2.883 -13.756 1.00 1.00 H new ATOM 55 N LYS A 4 -2.780 -3.070 -7.891 1.00 1.00 N ATOM 56 CA LYS A 4 -3.853 -2.092 -7.852 1.00 1.00 C ATOM 57 C LYS A 4 -3.269 -0.713 -7.538 1.00 1.00 C ATOM 58 O LYS A 4 -2.742 -0.491 -6.449 1.00 1.00 O ATOM 59 CB LYS A 4 -4.945 -2.533 -6.875 1.00 1.00 C ATOM 60 CG LYS A 4 -6.210 -1.691 -7.050 1.00 1.00 C ATOM 61 CD LYS A 4 -6.944 -2.065 -8.339 1.00 1.00 C ATOM 62 CE LYS A 4 -8.149 -1.151 -8.570 1.00 1.00 C ATOM 63 NZ LYS A 4 -8.781 -1.446 -9.875 1.00 1.00 N ATOM 0 H LYS A 4 -2.063 -2.945 -7.176 1.00 1.00 H new ATOM 0 HA LYS A 4 -4.338 -2.020 -8.826 1.00 1.00 H new ATOM 0 HB2 LYS A 4 -5.179 -3.585 -7.037 1.00 1.00 H new ATOM 0 HB3 LYS A 4 -4.581 -2.441 -5.852 1.00 1.00 H new ATOM 0 HG2 LYS A 4 -6.870 -1.839 -6.195 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -5.947 -0.633 -7.071 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -6.261 -1.992 -9.185 1.00 1.00 H new ATOM 0 HD3 LYS A 4 -7.275 -3.102 -8.285 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -8.875 -1.287 -7.769 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -7.833 -0.108 -8.540 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -9.597 -0.817 -10.016 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -8.090 -1.293 -10.638 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -9.100 -2.436 -9.890 1.00 1.00 H new ATOM 77 N GLU A 5 -3.381 0.178 -8.513 1.00 1.00 N ATOM 78 CA GLU A 5 -2.871 1.529 -8.354 1.00 1.00 C ATOM 79 C GLU A 5 -3.893 2.401 -7.622 1.00 1.00 C ATOM 80 O GLU A 5 -5.078 2.072 -7.581 1.00 1.00 O ATOM 81 CB GLU A 5 -2.501 2.138 -9.708 1.00 1.00 C ATOM 82 CG GLU A 5 -1.647 1.170 -10.530 1.00 1.00 C ATOM 83 CD GLU A 5 -2.501 0.417 -11.552 1.00 1.00 C ATOM 84 OE1 GLU A 5 -3.550 -0.116 -11.132 1.00 1.00 O ATOM 85 OE2 GLU A 5 -2.084 0.392 -12.731 1.00 1.00 O ATOM 0 H GLU A 5 -3.817 -0.010 -9.416 1.00 1.00 H new ATOM 0 HA GLU A 5 -1.964 1.485 -7.752 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -3.408 2.386 -10.259 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -1.956 3.069 -9.555 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -0.860 1.721 -11.044 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -1.156 0.458 -9.866 1.00 1.00 H new ATOM 92 N PHE A 6 -3.398 3.495 -7.064 1.00 1.00 N ATOM 93 CA PHE A 6 -4.254 4.417 -6.336 1.00 1.00 C ATOM 94 C PHE A 6 -3.597 5.793 -6.211 1.00 1.00 C ATOM 95 O PHE A 6 -2.516 6.020 -6.751 1.00 1.00 O ATOM 96 CB PHE A 6 -4.454 3.831 -4.936 1.00 1.00 C ATOM 97 CG PHE A 6 -5.040 2.418 -4.931 1.00 1.00 C ATOM 98 CD1 PHE A 6 -4.213 1.339 -4.967 1.00 1.00 C ATOM 99 CD2 PHE A 6 -6.388 2.241 -4.890 1.00 1.00 C ATOM 100 CE1 PHE A 6 -4.758 0.027 -4.962 1.00 1.00 C ATOM 101 CE2 PHE A 6 -6.932 0.929 -4.885 1.00 1.00 C ATOM 102 CZ PHE A 6 -6.105 -0.150 -4.921 1.00 1.00 C ATOM 0 H PHE A 6 -2.415 3.764 -7.101 1.00 1.00 H new ATOM 0 HA PHE A 6 -5.199 4.542 -6.864 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -3.495 3.817 -4.419 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -5.113 4.489 -4.369 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -3.143 1.479 -4.999 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -7.045 3.098 -4.861 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -4.102 -0.830 -4.991 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -8.002 0.788 -4.853 1.00 1.00 H new ATOM 0 HZ PHE A 6 -6.519 -1.148 -4.917 1.00 1.00 H new ATOM 112 N HIS A 7 -4.279 6.676 -5.496 1.00 1.00 N ATOM 113 CA HIS A 7 -3.775 8.024 -5.293 1.00 1.00 C ATOM 114 C HIS A 7 -4.222 8.538 -3.923 1.00 1.00 C ATOM 115 O HIS A 7 -5.379 8.370 -3.540 1.00 1.00 O ATOM 116 CB HIS A 7 -4.203 8.941 -6.440 1.00 1.00 C ATOM 117 CG HIS A 7 -4.519 10.354 -6.010 1.00 1.00 C ATOM 118 ND1 HIS A 7 -3.977 11.466 -6.631 1.00 1.00 N ATOM 119 CD2 HIS A 7 -5.327 10.824 -5.017 1.00 1.00 C ATOM 120 CE1 HIS A 7 -4.443 12.550 -6.030 1.00 1.00 C ATOM 121 NE2 HIS A 7 -5.280 12.150 -5.029 1.00 1.00 N ATOM 0 H HIS A 7 -5.176 6.484 -5.050 1.00 1.00 H new ATOM 0 HA HIS A 7 -2.685 8.015 -5.300 1.00 1.00 H new ATOM 0 HB2 HIS A 7 -3.409 8.968 -7.186 1.00 1.00 H new ATOM 0 HB3 HIS A 7 -5.081 8.514 -6.925 1.00 1.00 H new ATOM 0 HD2 HIS A 7 -5.907 10.219 -4.336 1.00 1.00 H new ATOM 0 HE1 HIS A 7 -4.203 13.571 -6.287 1.00 1.00 H new ATOM 0 HE2 HIS A 7 -5.786 12.768 -4.395 1.00 1.00 H new ATOM 129 N ILE A 8 -3.282 9.155 -3.223 1.00 1.00 N ATOM 130 CA ILE A 8 -3.564 9.695 -1.904 1.00 1.00 C ATOM 131 C ILE A 8 -4.610 10.805 -2.025 1.00 1.00 C ATOM 132 O ILE A 8 -4.431 11.750 -2.791 1.00 1.00 O ATOM 133 CB ILE A 8 -2.271 10.141 -1.219 1.00 1.00 C ATOM 134 CG1 ILE A 8 -1.271 8.987 -1.130 1.00 1.00 C ATOM 135 CG2 ILE A 8 -2.560 10.757 0.151 1.00 1.00 C ATOM 136 CD1 ILE A 8 -1.994 7.643 -1.017 1.00 1.00 C ATOM 0 H ILE A 8 -2.324 9.293 -3.544 1.00 1.00 H new ATOM 0 HA ILE A 8 -3.989 8.925 -1.260 1.00 1.00 H new ATOM 0 HB ILE A 8 -1.812 10.918 -1.830 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -0.631 8.987 -2.012 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -0.622 9.129 -0.266 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -1.624 11.065 0.616 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.208 11.625 0.030 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -3.054 10.020 0.784 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -1.260 6.839 -0.955 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -2.614 7.638 -0.121 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.623 7.493 -1.894 1.00 1.00 H new ATOM 148 N VAL A 9 -5.680 10.652 -1.258 1.00 1.00 N ATOM 149 CA VAL A 9 -6.755 11.630 -1.270 1.00 1.00 C ATOM 150 C VAL A 9 -6.959 12.175 0.145 1.00 1.00 C ATOM 151 O VAL A 9 -7.844 12.997 0.376 1.00 1.00 O ATOM 152 CB VAL A 9 -8.022 11.007 -1.859 1.00 1.00 C ATOM 153 CG1 VAL A 9 -7.852 10.727 -3.354 1.00 1.00 C ATOM 154 CG2 VAL A 9 -8.410 9.734 -1.104 1.00 1.00 C ATOM 0 H VAL A 9 -5.825 9.866 -0.625 1.00 1.00 H new ATOM 0 HA VAL A 9 -6.496 12.474 -1.909 1.00 1.00 H new ATOM 0 HB VAL A 9 -8.833 11.726 -1.743 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -8.767 10.284 -3.748 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -7.646 11.660 -3.878 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -7.022 10.037 -3.503 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -9.314 9.312 -1.543 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -7.600 9.008 -1.173 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -8.593 9.974 -0.057 1.00 1.00 H new ATOM 164 N ALA A 10 -6.124 11.695 1.055 1.00 1.00 N ATOM 165 CA ALA A 10 -6.202 12.124 2.441 1.00 1.00 C ATOM 166 C ALA A 10 -5.335 13.370 2.635 1.00 1.00 C ATOM 167 O ALA A 10 -5.471 14.076 3.632 1.00 1.00 O ATOM 168 CB ALA A 10 -5.780 10.973 3.357 1.00 1.00 C ATOM 0 H ALA A 10 -5.391 11.014 0.860 1.00 1.00 H new ATOM 0 HA ALA A 10 -7.226 12.391 2.702 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -5.839 11.295 4.397 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -6.444 10.123 3.203 1.00 1.00 H new ATOM 0 HB3 ALA A 10 -4.756 10.680 3.125 1.00 1.00 H new ATOM 174 N GLU A 11 -4.464 13.602 1.664 1.00 1.00 N ATOM 175 CA GLU A 11 -3.576 14.750 1.714 1.00 1.00 C ATOM 176 C GLU A 11 -2.954 14.879 3.106 1.00 1.00 C ATOM 177 O GLU A 11 -2.433 15.936 3.462 1.00 1.00 O ATOM 178 CB GLU A 11 -4.314 16.032 1.323 1.00 1.00 C ATOM 179 CG GLU A 11 -5.315 16.441 2.405 1.00 1.00 C ATOM 180 CD GLU A 11 -5.804 17.874 2.187 1.00 1.00 C ATOM 181 OE1 GLU A 11 -4.931 18.750 2.004 1.00 1.00 O ATOM 182 OE2 GLU A 11 -7.040 18.062 2.209 1.00 1.00 O ATOM 0 H GLU A 11 -4.355 13.014 0.838 1.00 1.00 H new ATOM 0 HA GLU A 11 -2.775 14.596 0.991 1.00 1.00 H new ATOM 0 HB2 GLU A 11 -3.595 16.836 1.165 1.00 1.00 H new ATOM 0 HB3 GLU A 11 -4.836 15.881 0.378 1.00 1.00 H new ATOM 0 HG2 GLU A 11 -6.164 15.758 2.396 1.00 1.00 H new ATOM 0 HG3 GLU A 11 -4.849 16.358 3.387 1.00 1.00 H new ATOM 189 N THR A 12 -3.028 13.790 3.856 1.00 1.00 N ATOM 190 CA THR A 12 -2.478 13.767 5.201 1.00 1.00 C ATOM 191 C THR A 12 -0.953 13.876 5.156 1.00 1.00 C ATOM 192 O THR A 12 -0.371 14.758 5.785 1.00 1.00 O ATOM 193 CB THR A 12 -2.977 12.498 5.894 1.00 1.00 C ATOM 194 OG1 THR A 12 -2.678 12.714 7.271 1.00 1.00 O ATOM 195 CG2 THR A 12 -2.151 11.265 5.523 1.00 1.00 C ATOM 0 H THR A 12 -3.461 12.916 3.558 1.00 1.00 H new ATOM 0 HA THR A 12 -2.816 14.626 5.781 1.00 1.00 H new ATOM 0 HB THR A 12 -4.021 12.328 5.632 1.00 1.00 H new ATOM 0 HG1 THR A 12 -2.077 12.009 7.590 1.00 1.00 H new ATOM 0 HG21 THR A 12 -2.547 10.392 6.042 1.00 1.00 H new ATOM 0 HG22 THR A 12 -2.204 11.102 4.447 1.00 1.00 H new ATOM 0 HG23 THR A 12 -1.113 11.421 5.816 1.00 1.00 H new ATOM 203 N GLY A 13 -0.349 12.967 4.405 1.00 1.00 N ATOM 204 CA GLY A 13 1.097 12.950 4.269 1.00 1.00 C ATOM 205 C GLY A 13 1.648 11.532 4.443 1.00 1.00 C ATOM 206 O GLY A 13 2.858 11.341 4.545 1.00 1.00 O ATOM 0 H GLY A 13 -0.835 12.237 3.884 1.00 1.00 H new ATOM 0 HA2 GLY A 13 1.378 13.336 3.289 1.00 1.00 H new ATOM 0 HA3 GLY A 13 1.543 13.611 5.012 1.00 1.00 H new ATOM 210 N ILE A 14 0.731 10.576 4.471 1.00 1.00 N ATOM 211 CA ILE A 14 1.110 9.182 4.631 1.00 1.00 C ATOM 212 C ILE A 14 2.123 9.060 5.771 1.00 1.00 C ATOM 213 O ILE A 14 3.276 8.698 5.544 1.00 1.00 O ATOM 214 CB ILE A 14 1.605 8.606 3.303 1.00 1.00 C ATOM 215 CG1 ILE A 14 0.491 8.606 2.255 1.00 1.00 C ATOM 216 CG2 ILE A 14 2.207 7.213 3.500 1.00 1.00 C ATOM 217 CD1 ILE A 14 -0.667 9.509 2.686 1.00 1.00 C ATOM 0 H ILE A 14 -0.272 10.739 4.386 1.00 1.00 H new ATOM 0 HA ILE A 14 0.244 8.581 4.909 1.00 1.00 H new ATOM 0 HB ILE A 14 2.400 9.250 2.927 1.00 1.00 H new ATOM 0 HG12 ILE A 14 0.887 8.947 1.298 1.00 1.00 H new ATOM 0 HG13 ILE A 14 0.128 7.589 2.105 1.00 1.00 H new ATOM 0 HG21 ILE A 14 2.551 6.826 2.541 1.00 1.00 H new ATOM 0 HG22 ILE A 14 3.049 7.275 4.189 1.00 1.00 H new ATOM 0 HG23 ILE A 14 1.450 6.544 3.910 1.00 1.00 H new ATOM 0 HD11 ILE A 14 -1.446 9.491 1.923 1.00 1.00 H new ATOM 0 HD12 ILE A 14 -1.076 9.150 3.631 1.00 1.00 H new ATOM 0 HD13 ILE A 14 -0.305 10.530 2.811 1.00 1.00 H new ATOM 229 N HIS A 15 1.655 9.370 6.971 1.00 1.00 N ATOM 230 CA HIS A 15 2.506 9.300 8.147 1.00 1.00 C ATOM 231 C HIS A 15 2.323 7.945 8.833 1.00 1.00 C ATOM 232 O HIS A 15 1.523 7.123 8.389 1.00 1.00 O ATOM 233 CB HIS A 15 2.238 10.480 9.083 1.00 1.00 C ATOM 234 CG HIS A 15 0.788 10.896 9.146 1.00 1.00 C ATOM 235 ND1 HIS A 15 -0.104 10.368 10.064 1.00 1.00 N ATOM 236 CD2 HIS A 15 0.084 11.794 8.398 1.00 1.00 C ATOM 237 CE1 HIS A 15 -1.288 10.930 9.867 1.00 1.00 C ATOM 238 NE2 HIS A 15 -1.169 11.812 8.834 1.00 1.00 N ATOM 0 H HIS A 15 0.698 9.670 7.154 1.00 1.00 H new ATOM 0 HA HIS A 15 3.551 9.379 7.849 1.00 1.00 H new ATOM 0 HB2 HIS A 15 2.574 10.218 10.086 1.00 1.00 H new ATOM 0 HB3 HIS A 15 2.836 11.331 8.758 1.00 1.00 H new ATOM 0 HD2 HIS A 15 0.480 12.389 7.588 1.00 1.00 H new ATOM 0 HE1 HIS A 15 -2.189 10.725 10.426 1.00 1.00 H new ATOM 0 HE2 HIS A 15 -1.920 12.391 8.458 1.00 1.00 H new ATOM 246 N ALA A 16 3.078 7.754 9.905 1.00 1.00 N ATOM 247 CA ALA A 16 3.008 6.513 10.657 1.00 1.00 C ATOM 248 C ALA A 16 1.546 6.083 10.790 1.00 1.00 C ATOM 249 O ALA A 16 1.245 4.890 10.806 1.00 1.00 O ATOM 250 CB ALA A 16 3.687 6.700 12.016 1.00 1.00 C ATOM 0 H ALA A 16 3.741 8.438 10.270 1.00 1.00 H new ATOM 0 HA ALA A 16 3.539 5.718 10.134 1.00 1.00 H new ATOM 0 HB1 ALA A 16 3.634 5.769 12.580 1.00 1.00 H new ATOM 0 HB2 ALA A 16 4.731 6.975 11.866 1.00 1.00 H new ATOM 0 HB3 ALA A 16 3.180 7.489 12.571 1.00 1.00 H new ATOM 256 N ARG A 17 0.676 7.078 10.883 1.00 1.00 N ATOM 257 CA ARG A 17 -0.748 6.818 11.014 1.00 1.00 C ATOM 258 C ARG A 17 -1.296 6.205 9.724 1.00 1.00 C ATOM 259 O ARG A 17 -1.629 5.021 9.687 1.00 1.00 O ATOM 260 CB ARG A 17 -1.516 8.103 11.327 1.00 1.00 C ATOM 261 CG ARG A 17 -0.710 9.011 12.259 1.00 1.00 C ATOM 262 CD ARG A 17 -0.579 8.389 13.651 1.00 1.00 C ATOM 263 NE ARG A 17 -1.660 8.887 14.531 1.00 1.00 N ATOM 264 CZ ARG A 17 -1.797 8.545 15.819 1.00 1.00 C ATOM 265 NH1 ARG A 17 -0.922 7.703 16.385 1.00 1.00 N ATOM 266 NH2 ARG A 17 -2.809 9.046 16.541 1.00 1.00 N ATOM 0 H ARG A 17 0.930 8.066 10.870 1.00 1.00 H new ATOM 0 HA ARG A 17 -0.883 6.118 11.839 1.00 1.00 H new ATOM 0 HB2 ARG A 17 -1.739 8.633 10.401 1.00 1.00 H new ATOM 0 HB3 ARG A 17 -2.471 7.856 11.791 1.00 1.00 H new ATOM 0 HG2 ARG A 17 0.281 9.182 11.838 1.00 1.00 H new ATOM 0 HG3 ARG A 17 -1.196 9.983 12.335 1.00 1.00 H new ATOM 0 HD2 ARG A 17 -0.629 7.303 13.579 1.00 1.00 H new ATOM 0 HD3 ARG A 17 0.393 8.636 14.079 1.00 1.00 H new ATOM 0 HE ARG A 17 -2.343 9.531 14.132 1.00 1.00 H new ATOM 0 HH11 ARG A 17 -0.152 7.322 15.835 1.00 1.00 H new ATOM 0 HH12 ARG A 17 -1.026 7.443 17.366 1.00 1.00 H new ATOM 0 HH21 ARG A 17 -3.475 9.687 16.110 1.00 1.00 H new ATOM 0 HH22 ARG A 17 -2.914 8.786 17.522 1.00 1.00 H new ATOM 280 N PRO A 18 -1.376 7.061 8.670 1.00 1.00 N ATOM 281 CA PRO A 18 -1.878 6.616 7.381 1.00 1.00 C ATOM 282 C PRO A 18 -0.839 5.760 6.653 1.00 1.00 C ATOM 283 O PRO A 18 -1.193 4.865 5.887 1.00 1.00 O ATOM 284 CB PRO A 18 -2.227 7.892 6.633 1.00 1.00 C ATOM 285 CG PRO A 18 -1.478 9.009 7.341 1.00 1.00 C ATOM 286 CD PRO A 18 -0.991 8.469 8.677 1.00 1.00 C ATOM 0 HA PRO A 18 -2.752 5.971 7.470 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -1.930 7.825 5.586 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -3.302 8.072 6.648 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -0.637 9.348 6.736 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -2.129 9.870 7.492 1.00 1.00 H new ATOM 0 HD2 PRO A 18 0.088 8.584 8.781 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -1.450 9.001 9.510 1.00 1.00 H new ATOM 294 N ALA A 19 0.422 6.066 6.917 1.00 1.00 N ATOM 295 CA ALA A 19 1.515 5.337 6.297 1.00 1.00 C ATOM 296 C ALA A 19 1.386 3.850 6.634 1.00 1.00 C ATOM 297 O ALA A 19 1.359 3.007 5.738 1.00 1.00 O ATOM 298 CB ALA A 19 2.850 5.925 6.759 1.00 1.00 C ATOM 0 H ALA A 19 0.712 6.809 7.552 1.00 1.00 H new ATOM 0 HA ALA A 19 1.474 5.435 5.212 1.00 1.00 H new ATOM 0 HB1 ALA A 19 3.669 5.377 6.293 1.00 1.00 H new ATOM 0 HB2 ALA A 19 2.905 6.975 6.470 1.00 1.00 H new ATOM 0 HB3 ALA A 19 2.928 5.842 7.843 1.00 1.00 H new ATOM 304 N THR A 20 1.310 3.573 7.927 1.00 1.00 N ATOM 305 CA THR A 20 1.184 2.202 8.393 1.00 1.00 C ATOM 306 C THR A 20 -0.208 1.656 8.072 1.00 1.00 C ATOM 307 O THR A 20 -0.359 0.476 7.759 1.00 1.00 O ATOM 308 CB THR A 20 1.518 2.178 9.886 1.00 1.00 C ATOM 309 OG1 THR A 20 2.335 3.330 10.078 1.00 1.00 O ATOM 310 CG2 THR A 20 2.428 1.008 10.263 1.00 1.00 C ATOM 0 H THR A 20 1.333 4.275 8.667 1.00 1.00 H new ATOM 0 HA THR A 20 1.883 1.543 7.879 1.00 1.00 H new ATOM 0 HB THR A 20 0.595 2.121 10.463 1.00 1.00 H new ATOM 0 HG1 THR A 20 1.795 4.055 10.456 1.00 1.00 H new ATOM 0 HG21 THR A 20 2.634 1.038 11.333 1.00 1.00 H new ATOM 0 HG22 THR A 20 1.935 0.068 10.014 1.00 1.00 H new ATOM 0 HG23 THR A 20 3.365 1.083 9.711 1.00 1.00 H new ATOM 318 N LEU A 21 -1.191 2.540 8.161 1.00 1.00 N ATOM 319 CA LEU A 21 -2.566 2.161 7.885 1.00 1.00 C ATOM 320 C LEU A 21 -2.598 1.214 6.683 1.00 1.00 C ATOM 321 O LEU A 21 -3.181 0.133 6.755 1.00 1.00 O ATOM 322 CB LEU A 21 -3.440 3.404 7.711 1.00 1.00 C ATOM 323 CG LEU A 21 -4.938 3.211 7.958 1.00 1.00 C ATOM 324 CD1 LEU A 21 -5.714 4.492 7.648 1.00 1.00 C ATOM 325 CD2 LEU A 21 -5.473 2.012 7.172 1.00 1.00 C ATOM 0 H LEU A 21 -1.062 3.518 8.420 1.00 1.00 H new ATOM 0 HA LEU A 21 -2.988 1.618 8.731 1.00 1.00 H new ATOM 0 HB2 LEU A 21 -3.077 4.177 8.389 1.00 1.00 H new ATOM 0 HB3 LEU A 21 -3.305 3.780 6.697 1.00 1.00 H new ATOM 0 HG LEU A 21 -5.085 2.994 9.016 1.00 1.00 H new ATOM 0 HD11 LEU A 21 -6.776 4.328 7.832 1.00 1.00 H new ATOM 0 HD12 LEU A 21 -5.356 5.298 8.288 1.00 1.00 H new ATOM 0 HD13 LEU A 21 -5.565 4.764 6.603 1.00 1.00 H new ATOM 0 HD21 LEU A 21 -6.540 1.897 7.365 1.00 1.00 H new ATOM 0 HD22 LEU A 21 -5.313 2.175 6.106 1.00 1.00 H new ATOM 0 HD23 LEU A 21 -4.948 1.109 7.484 1.00 1.00 H new ATOM 337 N LEU A 22 -1.963 1.655 5.607 1.00 1.00 N ATOM 338 CA LEU A 22 -1.912 0.860 4.391 1.00 1.00 C ATOM 339 C LEU A 22 -0.955 -0.316 4.596 1.00 1.00 C ATOM 340 O LEU A 22 -1.324 -1.467 4.368 1.00 1.00 O ATOM 341 CB LEU A 22 -1.556 1.740 3.191 1.00 1.00 C ATOM 342 CG LEU A 22 -0.382 2.701 3.388 1.00 1.00 C ATOM 343 CD1 LEU A 22 0.783 2.341 2.464 1.00 1.00 C ATOM 344 CD2 LEU A 22 -0.826 4.154 3.210 1.00 1.00 C ATOM 0 H LEU A 22 -1.480 2.552 5.552 1.00 1.00 H new ATOM 0 HA LEU A 22 -2.893 0.439 4.169 1.00 1.00 H new ATOM 0 HB2 LEU A 22 -1.331 1.091 2.344 1.00 1.00 H new ATOM 0 HB3 LEU A 22 -2.436 2.324 2.920 1.00 1.00 H new ATOM 0 HG LEU A 22 -0.025 2.597 4.412 1.00 1.00 H new ATOM 0 HD11 LEU A 22 1.604 3.040 2.624 1.00 1.00 H new ATOM 0 HD12 LEU A 22 1.121 1.328 2.682 1.00 1.00 H new ATOM 0 HD13 LEU A 22 0.455 2.398 1.426 1.00 1.00 H new ATOM 0 HD21 LEU A 22 0.028 4.816 3.355 1.00 1.00 H new ATOM 0 HD22 LEU A 22 -1.225 4.292 2.205 1.00 1.00 H new ATOM 0 HD23 LEU A 22 -1.598 4.391 3.943 1.00 1.00 H new ATOM 356 N VAL A 23 0.254 0.013 5.025 1.00 1.00 N ATOM 357 CA VAL A 23 1.266 -1.002 5.264 1.00 1.00 C ATOM 358 C VAL A 23 0.727 -2.028 6.262 1.00 1.00 C ATOM 359 O VAL A 23 0.884 -3.232 6.066 1.00 1.00 O ATOM 360 CB VAL A 23 2.568 -0.344 5.726 1.00 1.00 C ATOM 361 CG1 VAL A 23 2.659 1.100 5.230 1.00 1.00 C ATOM 362 CG2 VAL A 23 2.705 -0.411 7.248 1.00 1.00 C ATOM 0 H VAL A 23 0.556 0.969 5.214 1.00 1.00 H new ATOM 0 HA VAL A 23 1.497 -1.536 4.342 1.00 1.00 H new ATOM 0 HB VAL A 23 3.398 -0.900 5.290 1.00 1.00 H new ATOM 0 HG11 VAL A 23 3.594 1.544 5.572 1.00 1.00 H new ATOM 0 HG12 VAL A 23 2.629 1.113 4.140 1.00 1.00 H new ATOM 0 HG13 VAL A 23 1.819 1.673 5.623 1.00 1.00 H new ATOM 0 HG21 VAL A 23 3.639 0.063 7.551 1.00 1.00 H new ATOM 0 HG22 VAL A 23 1.867 0.109 7.712 1.00 1.00 H new ATOM 0 HG23 VAL A 23 2.707 -1.453 7.568 1.00 1.00 H new ATOM 372 N GLN A 24 0.103 -1.514 7.312 1.00 1.00 N ATOM 373 CA GLN A 24 -0.460 -2.371 8.342 1.00 1.00 C ATOM 374 C GLN A 24 -1.483 -3.331 7.732 1.00 1.00 C ATOM 375 O GLN A 24 -1.552 -4.497 8.118 1.00 1.00 O ATOM 376 CB GLN A 24 -1.088 -1.540 9.463 1.00 1.00 C ATOM 377 CG GLN A 24 -2.358 -0.837 8.979 1.00 1.00 C ATOM 378 CD GLN A 24 -3.309 -0.562 10.145 1.00 1.00 C ATOM 379 OE1 GLN A 24 -2.901 -0.293 11.263 1.00 1.00 O ATOM 380 NE2 GLN A 24 -4.597 -0.642 9.823 1.00 1.00 N ATOM 0 H GLN A 24 -0.025 -0.515 7.472 1.00 1.00 H new ATOM 0 HA GLN A 24 0.346 -2.960 8.779 1.00 1.00 H new ATOM 0 HB2 GLN A 24 -1.325 -2.185 10.309 1.00 1.00 H new ATOM 0 HB3 GLN A 24 -0.371 -0.800 9.817 1.00 1.00 H new ATOM 0 HG2 GLN A 24 -2.095 0.101 8.490 1.00 1.00 H new ATOM 0 HG3 GLN A 24 -2.859 -1.455 8.234 1.00 1.00 H new ATOM 0 HE21 GLN A 24 -4.871 -0.872 8.868 1.00 1.00 H new ATOM 0 HE22 GLN A 24 -5.311 -0.474 10.531 1.00 1.00 H new ATOM 389 N THR A 25 -2.252 -2.806 6.790 1.00 1.00 N ATOM 390 CA THR A 25 -3.268 -3.603 6.123 1.00 1.00 C ATOM 391 C THR A 25 -2.657 -4.374 4.951 1.00 1.00 C ATOM 392 O THR A 25 -3.117 -5.464 4.614 1.00 1.00 O ATOM 393 CB THR A 25 -4.405 -2.667 5.707 1.00 1.00 C ATOM 394 OG1 THR A 25 -5.464 -2.988 6.605 1.00 1.00 O ATOM 395 CG2 THR A 25 -4.970 -3.009 4.327 1.00 1.00 C ATOM 0 H THR A 25 -2.192 -1.839 6.473 1.00 1.00 H new ATOM 0 HA THR A 25 -3.678 -4.360 6.791 1.00 1.00 H new ATOM 0 HB THR A 25 -4.046 -1.638 5.707 1.00 1.00 H new ATOM 0 HG1 THR A 25 -6.242 -2.426 6.408 1.00 1.00 H new ATOM 0 HG21 THR A 25 -5.773 -2.315 4.081 1.00 1.00 H new ATOM 0 HG22 THR A 25 -4.180 -2.929 3.580 1.00 1.00 H new ATOM 0 HG23 THR A 25 -5.360 -4.027 4.335 1.00 1.00 H new ATOM 403 N ALA A 26 -1.630 -3.778 4.363 1.00 1.00 N ATOM 404 CA ALA A 26 -0.951 -4.396 3.237 1.00 1.00 C ATOM 405 C ALA A 26 0.105 -5.373 3.756 1.00 1.00 C ATOM 406 O ALA A 26 0.388 -6.385 3.116 1.00 1.00 O ATOM 407 CB ALA A 26 -0.350 -3.308 2.344 1.00 1.00 C ATOM 0 H ALA A 26 -1.252 -2.874 4.645 1.00 1.00 H new ATOM 0 HA ALA A 26 -1.655 -4.965 2.630 1.00 1.00 H new ATOM 0 HB1 ALA A 26 0.160 -3.771 1.499 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -1.145 -2.659 1.977 1.00 1.00 H new ATOM 0 HB3 ALA A 26 0.364 -2.718 2.919 1.00 1.00 H new ATOM 413 N SER A 27 0.659 -5.037 4.912 1.00 1.00 N ATOM 414 CA SER A 27 1.678 -5.873 5.525 1.00 1.00 C ATOM 415 C SER A 27 1.030 -6.853 6.505 1.00 1.00 C ATOM 416 O SER A 27 1.543 -7.069 7.602 1.00 1.00 O ATOM 417 CB SER A 27 2.729 -5.023 6.241 1.00 1.00 C ATOM 418 OG SER A 27 2.401 -4.809 7.611 1.00 1.00 O ATOM 0 H SER A 27 0.422 -4.197 5.440 1.00 1.00 H new ATOM 0 HA SER A 27 2.180 -6.435 4.737 1.00 1.00 H new ATOM 0 HB2 SER A 27 3.700 -5.514 6.173 1.00 1.00 H new ATOM 0 HB3 SER A 27 2.822 -4.061 5.736 1.00 1.00 H new ATOM 0 HG SER A 27 2.413 -5.665 8.088 1.00 1.00 H new ATOM 424 N LYS A 28 -0.087 -7.421 6.073 1.00 1.00 N ATOM 425 CA LYS A 28 -0.809 -8.373 6.899 1.00 1.00 C ATOM 426 C LYS A 28 -1.494 -9.404 6.000 1.00 1.00 C ATOM 427 O LYS A 28 -2.455 -10.052 6.412 1.00 1.00 O ATOM 428 CB LYS A 28 -1.770 -7.645 7.842 1.00 1.00 C ATOM 429 CG LYS A 28 -2.651 -6.658 7.072 1.00 1.00 C ATOM 430 CD LYS A 28 -3.801 -7.383 6.370 1.00 1.00 C ATOM 431 CE LYS A 28 -4.801 -7.937 7.387 1.00 1.00 C ATOM 432 NZ LYS A 28 -4.569 -9.382 7.608 1.00 1.00 N ATOM 0 H LYS A 28 -0.509 -7.240 5.162 1.00 1.00 H new ATOM 0 HA LYS A 28 -0.119 -8.918 7.543 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -2.397 -8.371 8.359 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -1.203 -7.113 8.605 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -3.052 -5.911 7.757 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -2.049 -6.125 6.336 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -4.309 -6.697 5.692 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -3.406 -8.197 5.762 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -4.705 -7.399 8.330 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -5.818 -7.776 7.030 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -5.465 -9.898 7.498 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -3.879 -9.733 6.913 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -4.199 -9.531 8.568 1.00 1.00 H new ATOM 446 N PHE A 29 -0.973 -9.525 4.788 1.00 1.00 N ATOM 447 CA PHE A 29 -1.522 -10.466 3.827 1.00 1.00 C ATOM 448 C PHE A 29 -0.488 -11.529 3.448 1.00 1.00 C ATOM 449 O PHE A 29 0.674 -11.209 3.201 1.00 1.00 O ATOM 450 CB PHE A 29 -1.894 -9.665 2.578 1.00 1.00 C ATOM 451 CG PHE A 29 -2.919 -8.558 2.831 1.00 1.00 C ATOM 452 CD1 PHE A 29 -3.936 -8.762 3.711 1.00 1.00 C ATOM 453 CD2 PHE A 29 -2.814 -7.371 2.176 1.00 1.00 C ATOM 454 CE1 PHE A 29 -4.888 -7.734 3.946 1.00 1.00 C ATOM 455 CE2 PHE A 29 -3.766 -6.344 2.411 1.00 1.00 C ATOM 456 CZ PHE A 29 -4.782 -6.547 3.291 1.00 1.00 C ATOM 0 H PHE A 29 -0.176 -8.986 4.449 1.00 1.00 H new ATOM 0 HA PHE A 29 -2.386 -10.974 4.256 1.00 1.00 H new ATOM 0 HB2 PHE A 29 -0.990 -9.221 2.161 1.00 1.00 H new ATOM 0 HB3 PHE A 29 -2.290 -10.347 1.826 1.00 1.00 H new ATOM 0 HD1 PHE A 29 -4.020 -9.705 4.231 1.00 1.00 H new ATOM 0 HD2 PHE A 29 -2.007 -7.209 1.477 1.00 1.00 H new ATOM 0 HE1 PHE A 29 -5.696 -7.895 4.645 1.00 1.00 H new ATOM 0 HE2 PHE A 29 -3.683 -5.401 1.890 1.00 1.00 H new ATOM 0 HZ PHE A 29 -5.505 -5.765 3.470 1.00 1.00 H new ATOM 466 N ASN A 30 -0.948 -12.771 3.414 1.00 1.00 N ATOM 467 CA ASN A 30 -0.078 -13.882 3.069 1.00 1.00 C ATOM 468 C ASN A 30 0.351 -13.753 1.606 1.00 1.00 C ATOM 469 O ASN A 30 1.158 -14.544 1.120 1.00 1.00 O ATOM 470 CB ASN A 30 -0.801 -15.220 3.234 1.00 1.00 C ATOM 471 CG ASN A 30 -0.640 -15.759 4.657 1.00 1.00 C ATOM 472 OD1 ASN A 30 0.457 -15.946 5.157 1.00 1.00 O ATOM 473 ND2 ASN A 30 -1.791 -15.997 5.279 1.00 1.00 N ATOM 0 H ASN A 30 -1.912 -13.032 3.620 1.00 1.00 H new ATOM 0 HA ASN A 30 0.784 -13.854 3.735 1.00 1.00 H new ATOM 0 HB2 ASN A 30 -1.860 -15.096 3.006 1.00 1.00 H new ATOM 0 HB3 ASN A 30 -0.404 -15.942 2.521 1.00 1.00 H new ATOM 0 HD21 ASN A 30 -1.790 -16.358 6.233 1.00 1.00 H new ATOM 0 HD22 ASN A 30 -2.675 -15.818 4.802 1.00 1.00 H new ATOM 480 N SER A 31 -0.209 -12.751 0.945 1.00 1.00 N ATOM 481 CA SER A 31 0.106 -12.509 -0.453 1.00 1.00 C ATOM 482 C SER A 31 1.165 -11.411 -0.569 1.00 1.00 C ATOM 483 O SER A 31 1.590 -10.845 0.437 1.00 1.00 O ATOM 484 CB SER A 31 -1.148 -12.122 -1.241 1.00 1.00 C ATOM 485 OG SER A 31 -1.962 -13.252 -1.537 1.00 1.00 O ATOM 0 H SER A 31 -0.879 -12.097 1.351 1.00 1.00 H new ATOM 0 HA SER A 31 0.500 -13.432 -0.879 1.00 1.00 H new ATOM 0 HB2 SER A 31 -1.727 -11.398 -0.668 1.00 1.00 H new ATOM 0 HB3 SER A 31 -0.856 -11.632 -2.170 1.00 1.00 H new ATOM 0 HG SER A 31 -1.579 -14.050 -1.117 1.00 1.00 H new ATOM 491 N ASP A 32 1.562 -11.144 -1.804 1.00 1.00 N ATOM 492 CA ASP A 32 2.564 -10.124 -2.064 1.00 1.00 C ATOM 493 C ASP A 32 1.867 -8.793 -2.357 1.00 1.00 C ATOM 494 O ASP A 32 1.462 -8.537 -3.490 1.00 1.00 O ATOM 495 CB ASP A 32 3.418 -10.488 -3.280 1.00 1.00 C ATOM 496 CG ASP A 32 4.798 -11.063 -2.953 1.00 1.00 C ATOM 497 OD1 ASP A 32 4.903 -11.717 -1.893 1.00 1.00 O ATOM 498 OD2 ASP A 32 5.716 -10.835 -3.770 1.00 1.00 O ATOM 0 H ASP A 32 1.208 -11.616 -2.636 1.00 1.00 H new ATOM 0 HA ASP A 32 3.203 -10.047 -1.184 1.00 1.00 H new ATOM 0 HB2 ASP A 32 2.873 -11.213 -3.884 1.00 1.00 H new ATOM 0 HB3 ASP A 32 3.549 -9.596 -3.893 1.00 1.00 H new ATOM 503 N ILE A 33 1.749 -7.982 -1.317 1.00 1.00 N ATOM 504 CA ILE A 33 1.108 -6.685 -1.448 1.00 1.00 C ATOM 505 C ILE A 33 2.104 -5.588 -1.067 1.00 1.00 C ATOM 506 O ILE A 33 2.681 -5.618 0.019 1.00 1.00 O ATOM 507 CB ILE A 33 -0.191 -6.644 -0.640 1.00 1.00 C ATOM 508 CG1 ILE A 33 -1.099 -5.509 -1.119 1.00 1.00 C ATOM 509 CG2 ILE A 33 0.100 -6.552 0.859 1.00 1.00 C ATOM 510 CD1 ILE A 33 -0.838 -4.227 -0.327 1.00 1.00 C ATOM 0 H ILE A 33 2.087 -8.198 -0.379 1.00 1.00 H new ATOM 0 HA ILE A 33 0.817 -6.507 -2.483 1.00 1.00 H new ATOM 0 HB ILE A 33 -0.728 -7.578 -0.807 1.00 1.00 H new ATOM 0 HG12 ILE A 33 -0.929 -5.326 -2.180 1.00 1.00 H new ATOM 0 HG13 ILE A 33 -2.143 -5.803 -1.009 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -0.839 -6.524 1.411 1.00 1.00 H new ATOM 0 HG22 ILE A 33 0.679 -7.421 1.171 1.00 1.00 H new ATOM 0 HG23 ILE A 33 0.668 -5.645 1.064 1.00 1.00 H new ATOM 0 HD11 ILE A 33 -1.496 -3.436 -0.687 1.00 1.00 H new ATOM 0 HD12 ILE A 33 -1.032 -4.407 0.730 1.00 1.00 H new ATOM 0 HD13 ILE A 33 0.200 -3.923 -0.459 1.00 1.00 H new ATOM 522 N ASN A 34 2.276 -4.645 -1.982 1.00 1.00 N ATOM 523 CA ASN A 34 3.193 -3.541 -1.755 1.00 1.00 C ATOM 524 C ASN A 34 2.578 -2.252 -2.306 1.00 1.00 C ATOM 525 O ASN A 34 1.505 -2.279 -2.906 1.00 1.00 O ATOM 526 CB ASN A 34 4.524 -3.773 -2.473 1.00 1.00 C ATOM 527 CG ASN A 34 5.097 -5.150 -2.132 1.00 1.00 C ATOM 528 OD1 ASN A 34 4.729 -5.780 -1.154 1.00 1.00 O ATOM 529 ND2 ASN A 34 6.017 -5.581 -2.991 1.00 1.00 N ATOM 0 H ASN A 34 1.796 -4.623 -2.882 1.00 1.00 H new ATOM 0 HA ASN A 34 3.370 -3.465 -0.682 1.00 1.00 H new ATOM 0 HB2 ASN A 34 4.379 -3.692 -3.550 1.00 1.00 H new ATOM 0 HB3 ASN A 34 5.235 -2.998 -2.188 1.00 1.00 H new ATOM 0 HD21 ASN A 34 6.460 -6.489 -2.851 1.00 1.00 H new ATOM 0 HD22 ASN A 34 6.279 -5.003 -3.790 1.00 1.00 H new ATOM 536 N LEU A 35 3.284 -1.154 -2.081 1.00 1.00 N ATOM 537 CA LEU A 35 2.822 0.142 -2.547 1.00 1.00 C ATOM 538 C LEU A 35 3.840 0.719 -3.532 1.00 1.00 C ATOM 539 O LEU A 35 5.041 0.489 -3.395 1.00 1.00 O ATOM 540 CB LEU A 35 2.524 1.062 -1.361 1.00 1.00 C ATOM 541 CG LEU A 35 3.509 2.211 -1.140 1.00 1.00 C ATOM 542 CD1 LEU A 35 3.569 3.126 -2.364 1.00 1.00 C ATOM 543 CD2 LEU A 35 3.173 2.984 0.137 1.00 1.00 C ATOM 0 H LEU A 35 4.173 -1.135 -1.582 1.00 1.00 H new ATOM 0 HA LEU A 35 1.880 0.039 -3.086 1.00 1.00 H new ATOM 0 HB2 LEU A 35 1.528 1.484 -1.495 1.00 1.00 H new ATOM 0 HB3 LEU A 35 2.494 0.456 -0.455 1.00 1.00 H new ATOM 0 HG LEU A 35 4.504 1.786 -1.007 1.00 1.00 H new ATOM 0 HD11 LEU A 35 4.277 3.934 -2.180 1.00 1.00 H new ATOM 0 HD12 LEU A 35 3.892 2.552 -3.232 1.00 1.00 H new ATOM 0 HD13 LEU A 35 2.581 3.545 -2.554 1.00 1.00 H new ATOM 0 HD21 LEU A 35 3.889 3.795 0.270 1.00 1.00 H new ATOM 0 HD22 LEU A 35 2.167 3.397 0.059 1.00 1.00 H new ATOM 0 HD23 LEU A 35 3.223 2.311 0.993 1.00 1.00 H new ATOM 555 N GLU A 36 3.324 1.457 -4.503 1.00 1.00 N ATOM 556 CA GLU A 36 4.173 2.068 -5.511 1.00 1.00 C ATOM 557 C GLU A 36 3.813 3.545 -5.684 1.00 1.00 C ATOM 558 O GLU A 36 2.700 3.873 -6.093 1.00 1.00 O ATOM 559 CB GLU A 36 4.071 1.320 -6.842 1.00 1.00 C ATOM 560 CG GLU A 36 4.906 2.008 -7.923 1.00 1.00 C ATOM 561 CD GLU A 36 4.038 2.929 -8.783 1.00 1.00 C ATOM 562 OE1 GLU A 36 3.833 4.083 -8.349 1.00 1.00 O ATOM 563 OE2 GLU A 36 3.599 2.458 -9.855 1.00 1.00 O ATOM 0 H GLU A 36 2.328 1.646 -4.613 1.00 1.00 H new ATOM 0 HA GLU A 36 5.207 2.003 -5.174 1.00 1.00 H new ATOM 0 HB2 GLU A 36 4.412 0.293 -6.713 1.00 1.00 H new ATOM 0 HB3 GLU A 36 3.029 1.273 -7.158 1.00 1.00 H new ATOM 0 HG2 GLU A 36 5.705 2.585 -7.458 1.00 1.00 H new ATOM 0 HG3 GLU A 36 5.381 1.257 -8.554 1.00 1.00 H new ATOM 570 N TYR A 37 4.776 4.398 -5.364 1.00 1.00 N ATOM 571 CA TYR A 37 4.574 5.832 -5.479 1.00 1.00 C ATOM 572 C TYR A 37 5.513 6.436 -6.525 1.00 1.00 C ATOM 573 O TYR A 37 6.733 6.365 -6.384 1.00 1.00 O ATOM 574 CB TYR A 37 4.915 6.417 -4.107 1.00 1.00 C ATOM 575 CG TYR A 37 4.976 7.945 -4.080 1.00 1.00 C ATOM 576 CD1 TYR A 37 4.167 8.683 -4.920 1.00 1.00 C ATOM 577 CD2 TYR A 37 5.840 8.586 -3.216 1.00 1.00 C ATOM 578 CE1 TYR A 37 4.225 10.122 -4.894 1.00 1.00 C ATOM 579 CE2 TYR A 37 5.898 10.025 -3.190 1.00 1.00 C ATOM 580 CZ TYR A 37 5.087 10.722 -4.031 1.00 1.00 C ATOM 581 OH TYR A 37 5.141 12.080 -4.007 1.00 1.00 O ATOM 0 H TYR A 37 5.698 4.123 -5.025 1.00 1.00 H new ATOM 0 HA TYR A 37 3.551 6.052 -5.785 1.00 1.00 H new ATOM 0 HB2 TYR A 37 4.171 6.081 -3.385 1.00 1.00 H new ATOM 0 HB3 TYR A 37 5.877 6.019 -3.783 1.00 1.00 H new ATOM 0 HD1 TYR A 37 3.491 8.182 -5.597 1.00 1.00 H new ATOM 0 HD2 TYR A 37 6.473 8.008 -2.559 1.00 1.00 H new ATOM 0 HE1 TYR A 37 3.597 10.711 -5.546 1.00 1.00 H new ATOM 0 HE2 TYR A 37 6.570 10.539 -2.518 1.00 1.00 H new ATOM 0 HH TYR A 37 5.800 12.369 -3.342 1.00 1.00 H new ATOM 591 N LYS A 38 4.909 7.016 -7.552 1.00 1.00 N ATOM 592 CA LYS A 38 5.676 7.631 -8.621 1.00 1.00 C ATOM 593 C LYS A 38 6.352 6.539 -9.453 1.00 1.00 C ATOM 594 O LYS A 38 7.134 6.834 -10.355 1.00 1.00 O ATOM 595 CB LYS A 38 6.652 8.664 -8.055 1.00 1.00 C ATOM 596 CG LYS A 38 5.925 9.676 -7.166 1.00 1.00 C ATOM 597 CD LYS A 38 6.446 11.094 -7.409 1.00 1.00 C ATOM 598 CE LYS A 38 7.846 11.272 -6.818 1.00 1.00 C ATOM 599 NZ LYS A 38 8.426 12.566 -7.240 1.00 1.00 N ATOM 0 H LYS A 38 3.897 7.073 -7.666 1.00 1.00 H new ATOM 0 HA LYS A 38 5.017 8.182 -9.292 1.00 1.00 H new ATOM 0 HB2 LYS A 38 7.427 8.159 -7.479 1.00 1.00 H new ATOM 0 HB3 LYS A 38 7.150 9.185 -8.873 1.00 1.00 H new ATOM 0 HG2 LYS A 38 4.854 9.639 -7.367 1.00 1.00 H new ATOM 0 HG3 LYS A 38 6.062 9.409 -6.118 1.00 1.00 H new ATOM 0 HD2 LYS A 38 6.471 11.298 -8.479 1.00 1.00 H new ATOM 0 HD3 LYS A 38 5.764 11.817 -6.962 1.00 1.00 H new ATOM 0 HE2 LYS A 38 7.796 11.227 -5.730 1.00 1.00 H new ATOM 0 HE3 LYS A 38 8.491 10.455 -7.142 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 9.376 12.671 -6.830 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 8.491 12.595 -8.278 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 7.819 13.343 -6.909 1.00 1.00 H new ATOM 613 N GLY A 39 6.025 5.299 -9.119 1.00 1.00 N ATOM 614 CA GLY A 39 6.591 4.161 -9.823 1.00 1.00 C ATOM 615 C GLY A 39 7.429 3.294 -8.881 1.00 1.00 C ATOM 616 O GLY A 39 7.871 2.210 -9.258 1.00 1.00 O ATOM 0 H GLY A 39 5.376 5.058 -8.370 1.00 1.00 H new ATOM 0 HA2 GLY A 39 5.790 3.563 -10.257 1.00 1.00 H new ATOM 0 HA3 GLY A 39 7.211 4.511 -10.648 1.00 1.00 H new ATOM 620 N LYS A 40 7.622 3.804 -7.674 1.00 1.00 N ATOM 621 CA LYS A 40 8.399 3.090 -6.675 1.00 1.00 C ATOM 622 C LYS A 40 7.487 2.115 -5.928 1.00 1.00 C ATOM 623 O LYS A 40 6.739 2.517 -5.038 1.00 1.00 O ATOM 624 CB LYS A 40 9.128 4.075 -5.759 1.00 1.00 C ATOM 625 CG LYS A 40 10.165 3.355 -4.895 1.00 1.00 C ATOM 626 CD LYS A 40 9.527 2.804 -3.618 1.00 1.00 C ATOM 627 CE LYS A 40 9.102 3.938 -2.684 1.00 1.00 C ATOM 628 NZ LYS A 40 10.160 4.971 -2.607 1.00 1.00 N ATOM 0 H LYS A 40 7.254 4.704 -7.365 1.00 1.00 H new ATOM 0 HA LYS A 40 9.179 2.496 -7.151 1.00 1.00 H new ATOM 0 HB2 LYS A 40 9.618 4.841 -6.360 1.00 1.00 H new ATOM 0 HB3 LYS A 40 8.407 4.584 -5.120 1.00 1.00 H new ATOM 0 HG2 LYS A 40 10.614 2.540 -5.463 1.00 1.00 H new ATOM 0 HG3 LYS A 40 10.969 4.044 -4.636 1.00 1.00 H new ATOM 0 HD2 LYS A 40 8.660 2.195 -3.874 1.00 1.00 H new ATOM 0 HD3 LYS A 40 10.235 2.152 -3.106 1.00 1.00 H new ATOM 0 HE2 LYS A 40 8.175 4.385 -3.043 1.00 1.00 H new ATOM 0 HE3 LYS A 40 8.900 3.541 -1.689 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 10.165 5.392 -1.656 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 11.085 4.535 -2.798 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 9.974 5.712 -3.313 1.00 1.00 H new ATOM 642 N SER A 41 7.580 0.852 -6.317 1.00 1.00 N ATOM 643 CA SER A 41 6.773 -0.184 -5.694 1.00 1.00 C ATOM 644 C SER A 41 7.618 -0.975 -4.694 1.00 1.00 C ATOM 645 O SER A 41 8.570 -1.652 -5.079 1.00 1.00 O ATOM 646 CB SER A 41 6.176 -1.123 -6.745 1.00 1.00 C ATOM 647 OG SER A 41 4.996 -1.769 -6.275 1.00 1.00 O ATOM 0 H SER A 41 8.202 0.522 -7.056 1.00 1.00 H new ATOM 0 HA SER A 41 5.950 0.295 -5.164 1.00 1.00 H new ATOM 0 HB2 SER A 41 5.945 -0.557 -7.647 1.00 1.00 H new ATOM 0 HB3 SER A 41 6.915 -1.875 -7.021 1.00 1.00 H new ATOM 0 HG SER A 41 4.645 -2.358 -6.975 1.00 1.00 H new ATOM 653 N VAL A 42 7.238 -0.864 -3.430 1.00 1.00 N ATOM 654 CA VAL A 42 7.949 -1.561 -2.371 1.00 1.00 C ATOM 655 C VAL A 42 6.964 -1.937 -1.263 1.00 1.00 C ATOM 656 O VAL A 42 6.034 -1.186 -0.973 1.00 1.00 O ATOM 657 CB VAL A 42 9.114 -0.704 -1.871 1.00 1.00 C ATOM 658 CG1 VAL A 42 9.963 -0.198 -3.038 1.00 1.00 C ATOM 659 CG2 VAL A 42 8.610 0.459 -1.014 1.00 1.00 C ATOM 0 H VAL A 42 6.447 -0.302 -3.115 1.00 1.00 H new ATOM 0 HA VAL A 42 8.383 -2.487 -2.748 1.00 1.00 H new ATOM 0 HB VAL A 42 9.747 -1.332 -1.244 1.00 1.00 H new ATOM 0 HG11 VAL A 42 10.784 0.408 -2.655 1.00 1.00 H new ATOM 0 HG12 VAL A 42 10.366 -1.047 -3.590 1.00 1.00 H new ATOM 0 HG13 VAL A 42 9.345 0.406 -3.702 1.00 1.00 H new ATOM 0 HG21 VAL A 42 9.458 1.052 -0.671 1.00 1.00 H new ATOM 0 HG22 VAL A 42 7.944 1.086 -1.607 1.00 1.00 H new ATOM 0 HG23 VAL A 42 8.069 0.068 -0.152 1.00 1.00 H new ATOM 669 N ASN A 43 7.202 -3.099 -0.672 1.00 1.00 N ATOM 670 CA ASN A 43 6.347 -3.584 0.398 1.00 1.00 C ATOM 671 C ASN A 43 5.996 -2.422 1.330 1.00 1.00 C ATOM 672 O ASN A 43 6.660 -2.213 2.344 1.00 1.00 O ATOM 673 CB ASN A 43 7.057 -4.657 1.226 1.00 1.00 C ATOM 674 CG ASN A 43 7.883 -5.583 0.332 1.00 1.00 C ATOM 675 OD1 ASN A 43 7.361 -6.389 -0.421 1.00 1.00 O ATOM 676 ND2 ASN A 43 9.197 -5.425 0.456 1.00 1.00 N ATOM 0 H ASN A 43 7.975 -3.719 -0.914 1.00 1.00 H new ATOM 0 HA ASN A 43 5.451 -4.011 -0.052 1.00 1.00 H new ATOM 0 HB2 ASN A 43 7.706 -4.183 1.962 1.00 1.00 H new ATOM 0 HB3 ASN A 43 6.321 -5.241 1.779 1.00 1.00 H new ATOM 0 HD21 ASN A 43 9.834 -5.997 -0.098 1.00 1.00 H new ATOM 0 HD22 ASN A 43 9.568 -4.732 1.105 1.00 1.00 H new ATOM 683 N LEU A 44 4.953 -1.698 0.953 1.00 1.00 N ATOM 684 CA LEU A 44 4.506 -0.563 1.742 1.00 1.00 C ATOM 685 C LEU A 44 5.141 -0.632 3.133 1.00 1.00 C ATOM 686 O LEU A 44 5.583 0.383 3.668 1.00 1.00 O ATOM 687 CB LEU A 44 2.977 -0.497 1.767 1.00 1.00 C ATOM 688 CG LEU A 44 2.248 -1.506 0.879 1.00 1.00 C ATOM 689 CD1 LEU A 44 2.453 -2.934 1.388 1.00 1.00 C ATOM 690 CD2 LEU A 44 0.765 -1.151 0.749 1.00 1.00 C ATOM 0 H LEU A 44 4.404 -1.875 0.112 1.00 1.00 H new ATOM 0 HA LEU A 44 4.836 0.371 1.287 1.00 1.00 H new ATOM 0 HB2 LEU A 44 2.644 -0.640 2.795 1.00 1.00 H new ATOM 0 HB3 LEU A 44 2.671 0.506 1.470 1.00 1.00 H new ATOM 0 HG LEU A 44 2.680 -1.456 -0.120 1.00 1.00 H new ATOM 0 HD11 LEU A 44 1.924 -3.631 0.738 1.00 1.00 H new ATOM 0 HD12 LEU A 44 3.517 -3.172 1.386 1.00 1.00 H new ATOM 0 HD13 LEU A 44 2.065 -3.018 2.403 1.00 1.00 H new ATOM 0 HD21 LEU A 44 0.270 -1.884 0.112 1.00 1.00 H new ATOM 0 HD22 LEU A 44 0.302 -1.155 1.736 1.00 1.00 H new ATOM 0 HD23 LEU A 44 0.666 -0.160 0.306 1.00 1.00 H new ATOM 702 N LYS A 45 5.165 -1.839 3.678 1.00 1.00 N ATOM 703 CA LYS A 45 5.739 -2.054 4.995 1.00 1.00 C ATOM 704 C LYS A 45 7.239 -1.757 4.948 1.00 1.00 C ATOM 705 O LYS A 45 7.933 -1.889 5.955 1.00 1.00 O ATOM 706 CB LYS A 45 5.406 -3.459 5.502 1.00 1.00 C ATOM 707 CG LYS A 45 5.148 -3.451 7.010 1.00 1.00 C ATOM 708 CD LYS A 45 5.716 -4.709 7.670 1.00 1.00 C ATOM 709 CE LYS A 45 7.196 -4.528 8.014 1.00 1.00 C ATOM 710 NZ LYS A 45 7.873 -5.841 8.095 1.00 1.00 N ATOM 0 H LYS A 45 4.796 -2.678 3.231 1.00 1.00 H new ATOM 0 HA LYS A 45 5.300 -1.367 5.718 1.00 1.00 H new ATOM 0 HB2 LYS A 45 4.527 -3.839 4.981 1.00 1.00 H new ATOM 0 HB3 LYS A 45 6.229 -4.136 5.274 1.00 1.00 H new ATOM 0 HG2 LYS A 45 5.602 -2.566 7.456 1.00 1.00 H new ATOM 0 HG3 LYS A 45 4.076 -3.389 7.199 1.00 1.00 H new ATOM 0 HD2 LYS A 45 5.153 -4.934 8.576 1.00 1.00 H new ATOM 0 HD3 LYS A 45 5.596 -5.561 7.001 1.00 1.00 H new ATOM 0 HE2 LYS A 45 7.678 -3.909 7.257 1.00 1.00 H new ATOM 0 HE3 LYS A 45 7.293 -4.003 8.964 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 8.876 -5.700 8.329 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 7.423 -6.419 8.833 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 7.796 -6.328 7.179 1.00 1.00 H new ATOM 724 N SER A 46 7.695 -1.362 3.769 1.00 1.00 N ATOM 725 CA SER A 46 9.100 -1.044 3.578 1.00 1.00 C ATOM 726 C SER A 46 9.358 0.423 3.927 1.00 1.00 C ATOM 727 O SER A 46 9.471 1.265 3.038 1.00 1.00 O ATOM 728 CB SER A 46 9.539 -1.333 2.141 1.00 1.00 C ATOM 729 OG SER A 46 10.954 -1.258 1.989 1.00 1.00 O ATOM 0 H SER A 46 7.116 -1.255 2.936 1.00 1.00 H new ATOM 0 HA SER A 46 9.687 -1.677 4.243 1.00 1.00 H new ATOM 0 HB2 SER A 46 9.195 -2.326 1.850 1.00 1.00 H new ATOM 0 HB3 SER A 46 9.064 -0.621 1.467 1.00 1.00 H new ATOM 0 HG SER A 46 11.240 -1.871 1.280 1.00 1.00 H new ATOM 735 N ILE A 47 9.442 0.683 5.223 1.00 1.00 N ATOM 736 CA ILE A 47 9.684 2.034 5.701 1.00 1.00 C ATOM 737 C ILE A 47 10.711 2.715 4.793 1.00 1.00 C ATOM 738 O ILE A 47 10.439 3.773 4.228 1.00 1.00 O ATOM 739 CB ILE A 47 10.085 2.016 7.177 1.00 1.00 C ATOM 740 CG1 ILE A 47 9.233 2.994 7.989 1.00 1.00 C ATOM 741 CG2 ILE A 47 11.582 2.287 7.343 1.00 1.00 C ATOM 742 CD1 ILE A 47 7.741 2.729 7.775 1.00 1.00 C ATOM 0 H ILE A 47 9.347 -0.019 5.957 1.00 1.00 H new ATOM 0 HA ILE A 47 8.770 2.626 5.650 1.00 1.00 H new ATOM 0 HB ILE A 47 9.893 1.018 7.570 1.00 1.00 H new ATOM 0 HG12 ILE A 47 9.475 2.900 9.048 1.00 1.00 H new ATOM 0 HG13 ILE A 47 9.470 4.017 7.697 1.00 1.00 H new ATOM 0 HG21 ILE A 47 11.840 2.269 8.402 1.00 1.00 H new ATOM 0 HG22 ILE A 47 12.151 1.520 6.817 1.00 1.00 H new ATOM 0 HG23 ILE A 47 11.823 3.266 6.928 1.00 1.00 H new ATOM 0 HD11 ILE A 47 7.158 3.437 8.363 1.00 1.00 H new ATOM 0 HD12 ILE A 47 7.498 2.847 6.719 1.00 1.00 H new ATOM 0 HD13 ILE A 47 7.503 1.713 8.090 1.00 1.00 H new ATOM 754 N MET A 48 11.868 2.080 4.682 1.00 1.00 N ATOM 755 CA MET A 48 12.937 2.612 3.853 1.00 1.00 C ATOM 756 C MET A 48 12.384 3.179 2.544 1.00 1.00 C ATOM 757 O MET A 48 12.330 4.395 2.364 1.00 1.00 O ATOM 758 CB MET A 48 13.943 1.502 3.543 1.00 1.00 C ATOM 759 CG MET A 48 13.272 0.127 3.580 1.00 1.00 C ATOM 760 SD MET A 48 14.065 -0.970 2.417 1.00 1.00 S ATOM 761 CE MET A 48 13.599 -0.185 0.883 1.00 1.00 C ATOM 0 H MET A 48 12.089 1.202 5.152 1.00 1.00 H new ATOM 0 HA MET A 48 13.428 3.418 4.398 1.00 1.00 H new ATOM 0 HB2 MET A 48 14.383 1.669 2.560 1.00 1.00 H new ATOM 0 HB3 MET A 48 14.758 1.532 4.266 1.00 1.00 H new ATOM 0 HG2 MET A 48 13.333 -0.290 4.585 1.00 1.00 H new ATOM 0 HG3 MET A 48 12.213 0.223 3.338 1.00 1.00 H new ATOM 0 HE1 MET A 48 13.777 -0.871 0.055 1.00 1.00 H new ATOM 0 HE2 MET A 48 12.542 0.078 0.915 1.00 1.00 H new ATOM 0 HE3 MET A 48 14.193 0.718 0.741 1.00 1.00 H new ATOM 771 N GLY A 49 11.987 2.272 1.664 1.00 1.00 N ATOM 772 CA GLY A 49 11.441 2.667 0.377 1.00 1.00 C ATOM 773 C GLY A 49 10.228 3.583 0.554 1.00 1.00 C ATOM 774 O GLY A 49 10.077 4.566 -0.171 1.00 1.00 O ATOM 0 H GLY A 49 12.033 1.265 1.817 1.00 1.00 H new ATOM 0 HA2 GLY A 49 12.207 3.180 -0.205 1.00 1.00 H new ATOM 0 HA3 GLY A 49 11.152 1.780 -0.187 1.00 1.00 H new ATOM 778 N VAL A 50 9.396 3.229 1.522 1.00 1.00 N ATOM 779 CA VAL A 50 8.201 4.008 1.803 1.00 1.00 C ATOM 780 C VAL A 50 8.608 5.394 2.307 1.00 1.00 C ATOM 781 O VAL A 50 8.219 6.407 1.729 1.00 1.00 O ATOM 782 CB VAL A 50 7.305 3.253 2.787 1.00 1.00 C ATOM 783 CG1 VAL A 50 7.103 4.058 4.073 1.00 1.00 C ATOM 784 CG2 VAL A 50 5.962 2.899 2.145 1.00 1.00 C ATOM 0 H VAL A 50 9.525 2.414 2.122 1.00 1.00 H new ATOM 0 HA VAL A 50 7.616 4.152 0.895 1.00 1.00 H new ATOM 0 HB VAL A 50 7.806 2.322 3.050 1.00 1.00 H new ATOM 0 HG11 VAL A 50 6.463 3.499 4.755 1.00 1.00 H new ATOM 0 HG12 VAL A 50 8.069 4.237 4.546 1.00 1.00 H new ATOM 0 HG13 VAL A 50 6.634 5.013 3.835 1.00 1.00 H new ATOM 0 HG21 VAL A 50 5.344 2.363 2.866 1.00 1.00 H new ATOM 0 HG22 VAL A 50 5.453 3.813 1.839 1.00 1.00 H new ATOM 0 HG23 VAL A 50 6.131 2.269 1.272 1.00 1.00 H new ATOM 794 N MET A 51 9.386 5.394 3.380 1.00 1.00 N ATOM 795 CA MET A 51 9.849 6.639 3.968 1.00 1.00 C ATOM 796 C MET A 51 10.229 7.649 2.884 1.00 1.00 C ATOM 797 O MET A 51 9.866 8.822 2.969 1.00 1.00 O ATOM 798 CB MET A 51 11.064 6.363 4.857 1.00 1.00 C ATOM 799 CG MET A 51 11.550 7.645 5.536 1.00 1.00 C ATOM 800 SD MET A 51 10.288 8.269 6.634 1.00 1.00 S ATOM 801 CE MET A 51 9.534 6.734 7.144 1.00 1.00 C ATOM 0 H MET A 51 9.707 4.552 3.857 1.00 1.00 H new ATOM 0 HA MET A 51 9.040 7.061 4.564 1.00 1.00 H new ATOM 0 HB2 MET A 51 10.805 5.623 5.614 1.00 1.00 H new ATOM 0 HB3 MET A 51 11.869 5.938 4.257 1.00 1.00 H new ATOM 0 HG2 MET A 51 12.464 7.446 6.095 1.00 1.00 H new ATOM 0 HG3 MET A 51 11.793 8.395 4.784 1.00 1.00 H new ATOM 0 HE1 MET A 51 8.857 6.921 7.977 1.00 1.00 H new ATOM 0 HE2 MET A 51 8.975 6.309 6.310 1.00 1.00 H new ATOM 0 HE3 MET A 51 10.309 6.034 7.456 1.00 1.00 H new ATOM 811 N SER A 52 10.954 7.159 1.890 1.00 1.00 N ATOM 812 CA SER A 52 11.387 8.004 0.790 1.00 1.00 C ATOM 813 C SER A 52 10.203 8.314 -0.128 1.00 1.00 C ATOM 814 O SER A 52 10.199 9.333 -0.818 1.00 1.00 O ATOM 815 CB SER A 52 12.515 7.342 -0.003 1.00 1.00 C ATOM 816 OG SER A 52 12.132 6.068 -0.514 1.00 1.00 O ATOM 0 H SER A 52 11.253 6.186 1.823 1.00 1.00 H new ATOM 0 HA SER A 52 11.771 8.936 1.205 1.00 1.00 H new ATOM 0 HB2 SER A 52 12.807 7.991 -0.829 1.00 1.00 H new ATOM 0 HB3 SER A 52 13.390 7.228 0.637 1.00 1.00 H new ATOM 0 HG SER A 52 11.275 5.801 -0.120 1.00 1.00 H new ATOM 822 N LEU A 53 9.228 7.418 -0.107 1.00 1.00 N ATOM 823 CA LEU A 53 8.042 7.583 -0.929 1.00 1.00 C ATOM 824 C LEU A 53 7.007 8.410 -0.163 1.00 1.00 C ATOM 825 O LEU A 53 6.607 9.482 -0.614 1.00 1.00 O ATOM 826 CB LEU A 53 7.519 6.223 -1.395 1.00 1.00 C ATOM 827 CG LEU A 53 6.362 5.636 -0.585 1.00 1.00 C ATOM 828 CD1 LEU A 53 5.093 6.473 -0.755 1.00 1.00 C ATOM 829 CD2 LEU A 53 6.131 4.166 -0.943 1.00 1.00 C ATOM 0 H LEU A 53 9.235 6.575 0.467 1.00 1.00 H new ATOM 0 HA LEU A 53 8.283 8.134 -1.838 1.00 1.00 H new ATOM 0 HB2 LEU A 53 7.200 6.315 -2.433 1.00 1.00 H new ATOM 0 HB3 LEU A 53 8.346 5.513 -1.378 1.00 1.00 H new ATOM 0 HG LEU A 53 6.632 5.672 0.470 1.00 1.00 H new ATOM 0 HD11 LEU A 53 4.286 6.034 -0.169 1.00 1.00 H new ATOM 0 HD12 LEU A 53 5.279 7.490 -0.411 1.00 1.00 H new ATOM 0 HD13 LEU A 53 4.808 6.492 -1.807 1.00 1.00 H new ATOM 0 HD21 LEU A 53 5.303 3.774 -0.353 1.00 1.00 H new ATOM 0 HD22 LEU A 53 5.892 4.083 -2.003 1.00 1.00 H new ATOM 0 HD23 LEU A 53 7.033 3.593 -0.728 1.00 1.00 H new ATOM 841 N GLY A 54 6.603 7.880 0.982 1.00 1.00 N ATOM 842 CA GLY A 54 5.622 8.556 1.815 1.00 1.00 C ATOM 843 C GLY A 54 4.863 9.617 1.016 1.00 1.00 C ATOM 844 O GLY A 54 5.397 10.689 0.736 1.00 1.00 O ATOM 0 H GLY A 54 6.937 6.990 1.353 1.00 1.00 H new ATOM 0 HA2 GLY A 54 4.919 7.828 2.219 1.00 1.00 H new ATOM 0 HA3 GLY A 54 6.121 9.023 2.664 1.00 1.00 H new ATOM 848 N VAL A 55 3.628 9.282 0.671 1.00 1.00 N ATOM 849 CA VAL A 55 2.790 10.192 -0.090 1.00 1.00 C ATOM 850 C VAL A 55 1.921 11.004 0.873 1.00 1.00 C ATOM 851 O VAL A 55 2.063 10.889 2.089 1.00 1.00 O ATOM 852 CB VAL A 55 1.972 9.412 -1.121 1.00 1.00 C ATOM 853 CG1 VAL A 55 2.522 9.627 -2.533 1.00 1.00 C ATOM 854 CG2 VAL A 55 1.925 7.924 -0.771 1.00 1.00 C ATOM 0 H VAL A 55 3.188 8.392 0.905 1.00 1.00 H new ATOM 0 HA VAL A 55 3.403 10.899 -0.649 1.00 1.00 H new ATOM 0 HB VAL A 55 0.951 9.794 -1.098 1.00 1.00 H new ATOM 0 HG11 VAL A 55 1.923 9.062 -3.247 1.00 1.00 H new ATOM 0 HG12 VAL A 55 2.479 10.687 -2.783 1.00 1.00 H new ATOM 0 HG13 VAL A 55 3.556 9.285 -2.577 1.00 1.00 H new ATOM 0 HG21 VAL A 55 1.337 7.393 -1.520 1.00 1.00 H new ATOM 0 HG22 VAL A 55 2.938 7.522 -0.753 1.00 1.00 H new ATOM 0 HG23 VAL A 55 1.466 7.795 0.209 1.00 1.00 H new ATOM 864 N GLY A 56 1.041 11.806 0.292 1.00 1.00 N ATOM 865 CA GLY A 56 0.149 12.636 1.084 1.00 1.00 C ATOM 866 C GLY A 56 -0.549 13.679 0.209 1.00 1.00 C ATOM 867 O GLY A 56 -1.586 13.398 -0.391 1.00 1.00 O ATOM 0 H GLY A 56 0.927 11.899 -0.717 1.00 1.00 H new ATOM 0 HA2 GLY A 56 -0.596 12.010 1.575 1.00 1.00 H new ATOM 0 HA3 GLY A 56 0.714 13.135 1.871 1.00 1.00 H new ATOM 871 N GLN A 57 0.047 14.861 0.164 1.00 1.00 N ATOM 872 CA GLN A 57 -0.505 15.948 -0.628 1.00 1.00 C ATOM 873 C GLN A 57 -1.179 15.399 -1.887 1.00 1.00 C ATOM 874 O GLN A 57 -0.600 15.435 -2.971 1.00 1.00 O ATOM 875 CB GLN A 57 0.577 16.969 -0.986 1.00 1.00 C ATOM 876 CG GLN A 57 1.681 16.326 -1.828 1.00 1.00 C ATOM 877 CD GLN A 57 2.971 17.146 -1.759 1.00 1.00 C ATOM 878 OE1 GLN A 57 3.123 18.167 -2.409 1.00 1.00 O ATOM 879 NE2 GLN A 57 3.888 16.644 -0.937 1.00 1.00 N ATOM 0 H GLN A 57 0.907 15.090 0.663 1.00 1.00 H new ATOM 0 HA GLN A 57 -1.259 16.460 -0.031 1.00 1.00 H new ATOM 0 HB2 GLN A 57 0.132 17.798 -1.536 1.00 1.00 H new ATOM 0 HB3 GLN A 57 1.006 17.385 -0.074 1.00 1.00 H new ATOM 0 HG2 GLN A 57 1.870 15.313 -1.473 1.00 1.00 H new ATOM 0 HG3 GLN A 57 1.352 16.245 -2.864 1.00 1.00 H new ATOM 0 HE21 GLN A 57 3.696 15.785 -0.422 1.00 1.00 H new ATOM 0 HE22 GLN A 57 4.783 17.118 -0.821 1.00 1.00 H new ATOM 888 N GLY A 58 -2.393 14.903 -1.701 1.00 1.00 N ATOM 889 CA GLY A 58 -3.152 14.347 -2.808 1.00 1.00 C ATOM 890 C GLY A 58 -2.274 13.446 -3.677 1.00 1.00 C ATOM 891 O GLY A 58 -2.696 13.003 -4.744 1.00 1.00 O ATOM 0 H GLY A 58 -2.870 14.875 -0.800 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -3.997 13.776 -2.424 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -3.562 15.155 -3.414 1.00 1.00 H new ATOM 895 N SER A 59 -1.067 13.200 -3.188 1.00 1.00 N ATOM 896 CA SER A 59 -0.125 12.359 -3.907 1.00 1.00 C ATOM 897 C SER A 59 -0.827 11.094 -4.405 1.00 1.00 C ATOM 898 O SER A 59 -1.905 10.749 -3.925 1.00 1.00 O ATOM 899 CB SER A 59 1.070 11.992 -3.025 1.00 1.00 C ATOM 900 OG SER A 59 1.588 13.122 -2.329 1.00 1.00 O ATOM 0 H SER A 59 -0.720 13.568 -2.302 1.00 1.00 H new ATOM 0 HA SER A 59 0.249 12.919 -4.764 1.00 1.00 H new ATOM 0 HB2 SER A 59 0.769 11.230 -2.306 1.00 1.00 H new ATOM 0 HB3 SER A 59 1.855 11.555 -3.642 1.00 1.00 H new ATOM 0 HG SER A 59 2.348 12.845 -1.776 1.00 1.00 H new ATOM 906 N ASP A 60 -0.186 10.438 -5.360 1.00 1.00 N ATOM 907 CA ASP A 60 -0.736 9.218 -5.928 1.00 1.00 C ATOM 908 C ASP A 60 0.301 8.098 -5.820 1.00 1.00 C ATOM 909 O ASP A 60 1.502 8.349 -5.901 1.00 1.00 O ATOM 910 CB ASP A 60 -1.077 9.405 -7.408 1.00 1.00 C ATOM 911 CG ASP A 60 0.123 9.667 -8.320 1.00 1.00 C ATOM 912 OD1 ASP A 60 0.744 8.668 -8.743 1.00 1.00 O ATOM 913 OD2 ASP A 60 0.392 10.861 -8.575 1.00 1.00 O ATOM 0 H ASP A 60 0.709 10.727 -5.755 1.00 1.00 H new ATOM 0 HA ASP A 60 -1.643 8.968 -5.377 1.00 1.00 H new ATOM 0 HB2 ASP A 60 -1.595 8.513 -7.761 1.00 1.00 H new ATOM 0 HB3 ASP A 60 -1.774 10.237 -7.502 1.00 1.00 H new ATOM 918 N VAL A 61 -0.202 6.886 -5.638 1.00 1.00 N ATOM 919 CA VAL A 61 0.666 5.726 -5.518 1.00 1.00 C ATOM 920 C VAL A 61 -0.034 4.506 -6.121 1.00 1.00 C ATOM 921 O VAL A 61 -1.196 4.585 -6.515 1.00 1.00 O ATOM 922 CB VAL A 61 1.067 5.523 -4.055 1.00 1.00 C ATOM 923 CG1 VAL A 61 1.935 6.681 -3.559 1.00 1.00 C ATOM 924 CG2 VAL A 61 -0.166 5.342 -3.168 1.00 1.00 C ATOM 0 H VAL A 61 -1.199 6.682 -5.571 1.00 1.00 H new ATOM 0 HA VAL A 61 1.589 5.880 -6.076 1.00 1.00 H new ATOM 0 HB VAL A 61 1.660 4.610 -3.994 1.00 1.00 H new ATOM 0 HG11 VAL A 61 2.206 6.512 -2.517 1.00 1.00 H new ATOM 0 HG12 VAL A 61 2.840 6.743 -4.164 1.00 1.00 H new ATOM 0 HG13 VAL A 61 1.379 7.615 -3.642 1.00 1.00 H new ATOM 0 HG21 VAL A 61 0.147 5.200 -2.134 1.00 1.00 H new ATOM 0 HG22 VAL A 61 -0.797 6.228 -3.237 1.00 1.00 H new ATOM 0 HG23 VAL A 61 -0.728 4.469 -3.500 1.00 1.00 H new ATOM 934 N THR A 62 0.704 3.407 -6.174 1.00 1.00 N ATOM 935 CA THR A 62 0.169 2.173 -6.722 1.00 1.00 C ATOM 936 C THR A 62 0.419 1.010 -5.760 1.00 1.00 C ATOM 937 O THR A 62 1.512 0.876 -5.212 1.00 1.00 O ATOM 938 CB THR A 62 0.790 1.962 -8.105 1.00 1.00 C ATOM 939 OG1 THR A 62 -0.168 2.514 -9.003 1.00 1.00 O ATOM 940 CG2 THR A 62 0.859 0.484 -8.496 1.00 1.00 C ATOM 0 H THR A 62 1.668 3.346 -5.846 1.00 1.00 H new ATOM 0 HA THR A 62 -0.913 2.229 -6.840 1.00 1.00 H new ATOM 0 HB THR A 62 1.793 2.389 -8.122 1.00 1.00 H new ATOM 0 HG1 THR A 62 0.295 3.001 -9.716 1.00 1.00 H new ATOM 0 HG21 THR A 62 1.307 0.390 -9.485 1.00 1.00 H new ATOM 0 HG22 THR A 62 1.466 -0.057 -7.770 1.00 1.00 H new ATOM 0 HG23 THR A 62 -0.147 0.065 -8.512 1.00 1.00 H new ATOM 948 N ILE A 63 -0.613 0.197 -5.584 1.00 1.00 N ATOM 949 CA ILE A 63 -0.520 -0.950 -4.698 1.00 1.00 C ATOM 950 C ILE A 63 -0.460 -2.231 -5.533 1.00 1.00 C ATOM 951 O ILE A 63 -0.892 -2.246 -6.685 1.00 1.00 O ATOM 952 CB ILE A 63 -1.660 -0.934 -3.678 1.00 1.00 C ATOM 953 CG1 ILE A 63 -1.117 -0.926 -2.248 1.00 1.00 C ATOM 954 CG2 ILE A 63 -2.626 -2.096 -3.918 1.00 1.00 C ATOM 955 CD1 ILE A 63 -1.165 0.482 -1.651 1.00 1.00 C ATOM 0 H ILE A 63 -1.518 0.311 -6.041 1.00 1.00 H new ATOM 0 HA ILE A 63 0.399 -0.906 -4.114 1.00 1.00 H new ATOM 0 HB ILE A 63 -2.225 -0.012 -3.812 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -1.701 -1.607 -1.630 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -0.090 -1.292 -2.243 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -3.427 -2.062 -3.180 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -3.051 -2.015 -4.918 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -2.089 -3.040 -3.827 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -0.773 0.460 -0.634 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -0.560 1.155 -2.258 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -2.196 0.835 -1.635 1.00 1.00 H new ATOM 967 N THR A 64 0.080 -3.274 -4.920 1.00 1.00 N ATOM 968 CA THR A 64 0.202 -4.556 -5.593 1.00 1.00 C ATOM 969 C THR A 64 -0.147 -5.697 -4.634 1.00 1.00 C ATOM 970 O THR A 64 0.134 -5.616 -3.439 1.00 1.00 O ATOM 971 CB THR A 64 1.616 -4.656 -6.167 1.00 1.00 C ATOM 972 OG1 THR A 64 1.934 -3.319 -6.543 1.00 1.00 O ATOM 973 CG2 THR A 64 1.660 -5.434 -7.484 1.00 1.00 C ATOM 0 H THR A 64 0.438 -3.258 -3.965 1.00 1.00 H new ATOM 0 HA THR A 64 -0.506 -4.639 -6.418 1.00 1.00 H new ATOM 0 HB THR A 64 2.269 -5.137 -5.439 1.00 1.00 H new ATOM 0 HG1 THR A 64 2.836 -3.292 -6.924 1.00 1.00 H new ATOM 0 HG21 THR A 64 2.687 -5.475 -7.848 1.00 1.00 H new ATOM 0 HG22 THR A 64 1.292 -6.447 -7.321 1.00 1.00 H new ATOM 0 HG23 THR A 64 1.033 -4.935 -8.223 1.00 1.00 H new ATOM 981 N VAL A 65 -0.753 -6.733 -5.194 1.00 1.00 N ATOM 982 CA VAL A 65 -1.143 -7.889 -4.404 1.00 1.00 C ATOM 983 C VAL A 65 -0.966 -9.157 -5.241 1.00 1.00 C ATOM 984 O VAL A 65 -1.527 -9.270 -6.330 1.00 1.00 O ATOM 985 CB VAL A 65 -2.570 -7.710 -3.884 1.00 1.00 C ATOM 986 CG1 VAL A 65 -3.595 -8.146 -4.934 1.00 1.00 C ATOM 987 CG2 VAL A 65 -2.775 -8.468 -2.571 1.00 1.00 C ATOM 0 H VAL A 65 -0.984 -6.797 -6.186 1.00 1.00 H new ATOM 0 HA VAL A 65 -0.502 -7.986 -3.528 1.00 1.00 H new ATOM 0 HB VAL A 65 -2.723 -6.649 -3.686 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -4.602 -8.009 -4.539 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -3.473 -7.543 -5.834 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -3.441 -9.197 -5.178 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -3.798 -8.324 -2.223 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -2.593 -9.531 -2.732 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -2.080 -8.091 -1.821 1.00 1.00 H new ATOM 997 N ASP A 66 -0.183 -10.080 -4.701 1.00 1.00 N ATOM 998 CA ASP A 66 0.075 -11.336 -5.385 1.00 1.00 C ATOM 999 C ASP A 66 0.143 -12.467 -4.357 1.00 1.00 C ATOM 1000 O ASP A 66 0.888 -12.380 -3.382 1.00 1.00 O ATOM 1001 CB ASP A 66 1.410 -11.293 -6.130 1.00 1.00 C ATOM 1002 CG ASP A 66 2.123 -9.940 -6.103 1.00 1.00 C ATOM 1003 OD1 ASP A 66 1.404 -8.918 -6.157 1.00 1.00 O ATOM 1004 OD2 ASP A 66 3.370 -9.957 -6.029 1.00 1.00 O ATOM 0 H ASP A 66 0.281 -9.983 -3.798 1.00 1.00 H new ATOM 0 HA ASP A 66 -0.731 -11.503 -6.099 1.00 1.00 H new ATOM 0 HB2 ASP A 66 2.073 -12.044 -5.701 1.00 1.00 H new ATOM 0 HB3 ASP A 66 1.238 -11.575 -7.169 1.00 1.00 H new ATOM 1009 N GLY A 67 -0.644 -13.502 -4.610 1.00 1.00 N ATOM 1010 CA GLY A 67 -0.682 -14.649 -3.718 1.00 1.00 C ATOM 1011 C GLY A 67 -2.124 -15.074 -3.434 1.00 1.00 C ATOM 1012 O GLY A 67 -3.010 -14.870 -4.262 1.00 1.00 O ATOM 0 H GLY A 67 -1.260 -13.571 -5.420 1.00 1.00 H new ATOM 0 HA2 GLY A 67 -0.135 -15.480 -4.164 1.00 1.00 H new ATOM 0 HA3 GLY A 67 -0.180 -14.403 -2.782 1.00 1.00 H new ATOM 1016 N ALA A 68 -2.314 -15.658 -2.260 1.00 1.00 N ATOM 1017 CA ALA A 68 -3.633 -16.114 -1.855 1.00 1.00 C ATOM 1018 C ALA A 68 -4.462 -14.915 -1.391 1.00 1.00 C ATOM 1019 O ALA A 68 -5.533 -14.649 -1.934 1.00 1.00 O ATOM 1020 CB ALA A 68 -3.493 -17.182 -0.769 1.00 1.00 C ATOM 0 H ALA A 68 -1.576 -15.826 -1.576 1.00 1.00 H new ATOM 0 HA ALA A 68 -4.156 -16.571 -2.695 1.00 1.00 H new ATOM 0 HB1 ALA A 68 -4.482 -17.524 -0.465 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -2.922 -18.025 -1.159 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -2.975 -16.760 0.092 1.00 1.00 H new ATOM 1026 N ASP A 69 -3.936 -14.224 -0.391 1.00 1.00 N ATOM 1027 CA ASP A 69 -4.614 -13.060 0.154 1.00 1.00 C ATOM 1028 C ASP A 69 -4.914 -12.075 -0.978 1.00 1.00 C ATOM 1029 O ASP A 69 -5.890 -11.329 -0.915 1.00 1.00 O ATOM 1030 CB ASP A 69 -3.738 -12.344 1.184 1.00 1.00 C ATOM 1031 CG ASP A 69 -4.045 -12.686 2.643 1.00 1.00 C ATOM 1032 OD1 ASP A 69 -3.647 -13.794 3.062 1.00 1.00 O ATOM 1033 OD2 ASP A 69 -4.672 -11.832 3.307 1.00 1.00 O ATOM 0 H ASP A 69 -3.047 -14.448 0.057 1.00 1.00 H new ATOM 0 HA ASP A 69 -5.532 -13.398 0.635 1.00 1.00 H new ATOM 0 HB2 ASP A 69 -2.694 -12.585 0.982 1.00 1.00 H new ATOM 0 HB3 ASP A 69 -3.849 -11.268 1.048 1.00 1.00 H new ATOM 1038 N GLU A 70 -4.056 -12.103 -1.987 1.00 1.00 N ATOM 1039 CA GLU A 70 -4.217 -11.222 -3.132 1.00 1.00 C ATOM 1040 C GLU A 70 -5.577 -10.525 -3.077 1.00 1.00 C ATOM 1041 O GLU A 70 -5.648 -9.299 -3.006 1.00 1.00 O ATOM 1042 CB GLU A 70 -4.047 -11.991 -4.444 1.00 1.00 C ATOM 1043 CG GLU A 70 -5.064 -13.129 -4.549 1.00 1.00 C ATOM 1044 CD GLU A 70 -6.308 -12.683 -5.319 1.00 1.00 C ATOM 1045 OE1 GLU A 70 -6.310 -11.516 -5.767 1.00 1.00 O ATOM 1046 OE2 GLU A 70 -7.230 -13.518 -5.441 1.00 1.00 O ATOM 0 H GLU A 70 -3.247 -12.722 -2.036 1.00 1.00 H new ATOM 0 HA GLU A 70 -3.438 -10.460 -3.093 1.00 1.00 H new ATOM 0 HB2 GLU A 70 -4.169 -11.311 -5.287 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -3.036 -12.395 -4.504 1.00 1.00 H new ATOM 0 HG2 GLU A 70 -4.609 -13.983 -5.050 1.00 1.00 H new ATOM 0 HG3 GLU A 70 -5.349 -13.460 -3.550 1.00 1.00 H new ATOM 1053 N ALA A 71 -6.624 -11.336 -3.113 1.00 1.00 N ATOM 1054 CA ALA A 71 -7.979 -10.812 -3.068 1.00 1.00 C ATOM 1055 C ALA A 71 -8.168 -10.007 -1.781 1.00 1.00 C ATOM 1056 O ALA A 71 -8.191 -8.777 -1.812 1.00 1.00 O ATOM 1057 CB ALA A 71 -8.977 -11.966 -3.186 1.00 1.00 C ATOM 0 H ALA A 71 -6.562 -12.352 -3.173 1.00 1.00 H new ATOM 0 HA ALA A 71 -8.158 -10.139 -3.907 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -9.993 -11.573 -3.152 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -8.821 -12.487 -4.130 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -8.829 -12.661 -2.359 1.00 1.00 H new ATOM 1063 N GLU A 72 -8.297 -10.732 -0.680 1.00 1.00 N ATOM 1064 CA GLU A 72 -8.483 -10.100 0.615 1.00 1.00 C ATOM 1065 C GLU A 72 -7.416 -9.028 0.840 1.00 1.00 C ATOM 1066 O GLU A 72 -7.726 -7.919 1.272 1.00 1.00 O ATOM 1067 CB GLU A 72 -8.464 -11.138 1.739 1.00 1.00 C ATOM 1068 CG GLU A 72 -8.016 -12.505 1.216 1.00 1.00 C ATOM 1069 CD GLU A 72 -7.704 -13.458 2.371 1.00 1.00 C ATOM 1070 OE1 GLU A 72 -8.678 -13.916 3.007 1.00 1.00 O ATOM 1071 OE2 GLU A 72 -6.499 -13.708 2.591 1.00 1.00 O ATOM 0 H GLU A 72 -8.276 -11.752 -0.658 1.00 1.00 H new ATOM 0 HA GLU A 72 -9.461 -9.619 0.626 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -7.791 -10.809 2.531 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -9.458 -11.221 2.179 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -8.798 -12.932 0.588 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -7.133 -12.387 0.589 1.00 1.00 H new ATOM 1078 N GLY A 73 -6.179 -9.396 0.538 1.00 1.00 N ATOM 1079 CA GLY A 73 -5.064 -8.480 0.702 1.00 1.00 C ATOM 1080 C GLY A 73 -5.394 -7.104 0.118 1.00 1.00 C ATOM 1081 O GLY A 73 -5.707 -6.172 0.856 1.00 1.00 O ATOM 0 H GLY A 73 -5.925 -10.317 0.180 1.00 1.00 H new ATOM 0 HA2 GLY A 73 -4.822 -8.381 1.760 1.00 1.00 H new ATOM 0 HA3 GLY A 73 -4.180 -8.886 0.210 1.00 1.00 H new ATOM 1085 N MET A 74 -5.312 -7.023 -1.202 1.00 1.00 N ATOM 1086 CA MET A 74 -5.598 -5.777 -1.893 1.00 1.00 C ATOM 1087 C MET A 74 -6.996 -5.265 -1.544 1.00 1.00 C ATOM 1088 O MET A 74 -7.220 -4.057 -1.479 1.00 1.00 O ATOM 1089 CB MET A 74 -5.497 -5.998 -3.404 1.00 1.00 C ATOM 1090 CG MET A 74 -6.424 -7.128 -3.856 1.00 1.00 C ATOM 1091 SD MET A 74 -7.810 -6.458 -4.759 1.00 1.00 S ATOM 1092 CE MET A 74 -9.142 -7.382 -4.012 1.00 1.00 C ATOM 0 H MET A 74 -5.052 -7.799 -1.811 1.00 1.00 H new ATOM 0 HA MET A 74 -4.869 -5.031 -1.576 1.00 1.00 H new ATOM 0 HB2 MET A 74 -5.757 -5.078 -3.928 1.00 1.00 H new ATOM 0 HB3 MET A 74 -4.468 -6.238 -3.672 1.00 1.00 H new ATOM 0 HG2 MET A 74 -5.875 -7.830 -4.484 1.00 1.00 H new ATOM 0 HG3 MET A 74 -6.780 -7.686 -2.990 1.00 1.00 H new ATOM 0 HE1 MET A 74 -9.577 -8.055 -4.751 1.00 1.00 H new ATOM 0 HE2 MET A 74 -8.757 -7.963 -3.174 1.00 1.00 H new ATOM 0 HE3 MET A 74 -9.907 -6.693 -3.655 1.00 1.00 H new ATOM 1102 N ALA A 75 -7.901 -6.208 -1.329 1.00 1.00 N ATOM 1103 CA ALA A 75 -9.272 -5.867 -0.988 1.00 1.00 C ATOM 1104 C ALA A 75 -9.269 -4.810 0.118 1.00 1.00 C ATOM 1105 O ALA A 75 -9.892 -3.758 -0.022 1.00 1.00 O ATOM 1106 CB ALA A 75 -10.028 -7.134 -0.582 1.00 1.00 C ATOM 0 H ALA A 75 -7.712 -7.209 -1.384 1.00 1.00 H new ATOM 0 HA ALA A 75 -9.788 -5.442 -1.849 1.00 1.00 H new ATOM 0 HB1 ALA A 75 -11.056 -6.878 -0.326 1.00 1.00 H new ATOM 0 HB2 ALA A 75 -10.026 -7.841 -1.412 1.00 1.00 H new ATOM 0 HB3 ALA A 75 -9.541 -7.587 0.282 1.00 1.00 H new ATOM 1112 N ALA A 76 -8.562 -5.126 1.193 1.00 1.00 N ATOM 1113 CA ALA A 76 -8.471 -4.216 2.323 1.00 1.00 C ATOM 1114 C ALA A 76 -7.795 -2.919 1.874 1.00 1.00 C ATOM 1115 O ALA A 76 -8.379 -1.842 1.977 1.00 1.00 O ATOM 1116 CB ALA A 76 -7.721 -4.898 3.469 1.00 1.00 C ATOM 0 H ALA A 76 -8.047 -5.999 1.306 1.00 1.00 H new ATOM 0 HA ALA A 76 -9.465 -3.960 2.691 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -7.653 -4.216 4.316 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -8.257 -5.798 3.770 1.00 1.00 H new ATOM 0 HB3 ALA A 76 -6.718 -5.167 3.138 1.00 1.00 H new ATOM 1122 N ILE A 77 -6.572 -3.065 1.385 1.00 1.00 N ATOM 1123 CA ILE A 77 -5.810 -1.919 0.919 1.00 1.00 C ATOM 1124 C ILE A 77 -6.711 -1.026 0.063 1.00 1.00 C ATOM 1125 O ILE A 77 -6.881 0.155 0.359 1.00 1.00 O ATOM 1126 CB ILE A 77 -4.537 -2.376 0.203 1.00 1.00 C ATOM 1127 CG1 ILE A 77 -3.320 -2.264 1.123 1.00 1.00 C ATOM 1128 CG2 ILE A 77 -4.339 -1.610 -1.106 1.00 1.00 C ATOM 1129 CD1 ILE A 77 -3.282 -0.901 1.818 1.00 1.00 C ATOM 0 H ILE A 77 -6.090 -3.960 1.301 1.00 1.00 H new ATOM 0 HA ILE A 77 -5.474 -1.317 1.763 1.00 1.00 H new ATOM 0 HB ILE A 77 -4.649 -3.429 -0.055 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -3.350 -3.057 1.871 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -2.408 -2.407 0.544 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -3.427 -1.954 -1.595 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -5.191 -1.785 -1.763 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -4.257 -0.544 -0.895 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -2.407 -0.847 2.466 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -3.227 -0.112 1.068 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -4.185 -0.772 2.415 1.00 1.00 H new ATOM 1141 N VAL A 78 -7.263 -1.626 -0.981 1.00 1.00 N ATOM 1142 CA VAL A 78 -8.142 -0.901 -1.882 1.00 1.00 C ATOM 1143 C VAL A 78 -9.212 -0.172 -1.067 1.00 1.00 C ATOM 1144 O VAL A 78 -9.303 1.054 -1.110 1.00 1.00 O ATOM 1145 CB VAL A 78 -8.730 -1.857 -2.922 1.00 1.00 C ATOM 1146 CG1 VAL A 78 -9.448 -1.086 -4.032 1.00 1.00 C ATOM 1147 CG2 VAL A 78 -7.648 -2.770 -3.501 1.00 1.00 C ATOM 0 H VAL A 78 -7.118 -2.606 -1.223 1.00 1.00 H new ATOM 0 HA VAL A 78 -7.583 -0.145 -2.434 1.00 1.00 H new ATOM 0 HB VAL A 78 -9.466 -2.486 -2.421 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -9.857 -1.789 -4.758 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -10.258 -0.498 -3.601 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -8.741 -0.421 -4.529 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -8.093 -3.439 -4.237 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -6.878 -2.164 -3.979 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -7.201 -3.358 -2.699 1.00 1.00 H new ATOM 1157 N GLU A 79 -9.996 -0.957 -0.343 1.00 1.00 N ATOM 1158 CA GLU A 79 -11.057 -0.402 0.481 1.00 1.00 C ATOM 1159 C GLU A 79 -10.489 0.645 1.441 1.00 1.00 C ATOM 1160 O GLU A 79 -11.012 1.754 1.536 1.00 1.00 O ATOM 1161 CB GLU A 79 -11.793 -1.505 1.244 1.00 1.00 C ATOM 1162 CG GLU A 79 -13.143 -1.814 0.594 1.00 1.00 C ATOM 1163 CD GLU A 79 -14.295 -1.511 1.553 1.00 1.00 C ATOM 1164 OE1 GLU A 79 -14.122 -1.796 2.757 1.00 1.00 O ATOM 1165 OE2 GLU A 79 -15.324 -1.000 1.060 1.00 1.00 O ATOM 0 H GLU A 79 -9.918 -1.973 -0.310 1.00 1.00 H new ATOM 0 HA GLU A 79 -11.781 0.086 -0.172 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -11.181 -2.407 1.267 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -11.945 -1.197 2.278 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -13.257 -1.223 -0.315 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -13.177 -2.863 0.299 1.00 1.00 H new ATOM 1172 N THR A 80 -9.427 0.255 2.130 1.00 1.00 N ATOM 1173 CA THR A 80 -8.783 1.146 3.080 1.00 1.00 C ATOM 1174 C THR A 80 -8.318 2.426 2.382 1.00 1.00 C ATOM 1175 O THR A 80 -8.555 3.527 2.875 1.00 1.00 O ATOM 1176 CB THR A 80 -7.646 0.376 3.756 1.00 1.00 C ATOM 1177 OG1 THR A 80 -7.985 0.400 5.140 1.00 1.00 O ATOM 1178 CG2 THR A 80 -6.312 1.120 3.685 1.00 1.00 C ATOM 0 H THR A 80 -8.996 -0.666 2.049 1.00 1.00 H new ATOM 0 HA THR A 80 -9.481 1.470 3.853 1.00 1.00 H new ATOM 0 HB THR A 80 -7.541 -0.602 3.287 1.00 1.00 H new ATOM 0 HG1 THR A 80 -7.301 -0.079 5.653 1.00 1.00 H new ATOM 0 HG21 THR A 80 -5.540 0.530 4.179 1.00 1.00 H new ATOM 0 HG22 THR A 80 -6.038 1.276 2.642 1.00 1.00 H new ATOM 0 HG23 THR A 80 -6.406 2.085 4.183 1.00 1.00 H new ATOM 1186 N LEU A 81 -7.666 2.237 1.244 1.00 1.00 N ATOM 1187 CA LEU A 81 -7.166 3.362 0.472 1.00 1.00 C ATOM 1188 C LEU A 81 -8.252 4.437 0.384 1.00 1.00 C ATOM 1189 O LEU A 81 -7.986 5.614 0.622 1.00 1.00 O ATOM 1190 CB LEU A 81 -6.654 2.892 -0.891 1.00 1.00 C ATOM 1191 CG LEU A 81 -5.204 2.404 -0.930 1.00 1.00 C ATOM 1192 CD1 LEU A 81 -4.314 3.393 -1.686 1.00 1.00 C ATOM 1193 CD2 LEU A 81 -4.682 2.123 0.480 1.00 1.00 C ATOM 0 H LEU A 81 -7.472 1.322 0.838 1.00 1.00 H new ATOM 0 HA LEU A 81 -6.308 3.814 0.970 1.00 1.00 H new ATOM 0 HB2 LEU A 81 -7.298 2.085 -1.240 1.00 1.00 H new ATOM 0 HB3 LEU A 81 -6.759 3.713 -1.600 1.00 1.00 H new ATOM 0 HG LEU A 81 -5.174 1.461 -1.477 1.00 1.00 H new ATOM 0 HD11 LEU A 81 -3.289 3.023 -1.699 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -4.675 3.499 -2.709 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -4.343 4.363 -1.189 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -3.650 1.778 0.424 1.00 1.00 H new ATOM 0 HD22 LEU A 81 -4.727 3.036 1.073 1.00 1.00 H new ATOM 0 HD23 LEU A 81 -5.297 1.355 0.949 1.00 1.00 H new ATOM 1205 N GLN A 82 -9.452 3.993 0.040 1.00 1.00 N ATOM 1206 CA GLN A 82 -10.579 4.902 -0.083 1.00 1.00 C ATOM 1207 C GLN A 82 -11.389 4.922 1.215 1.00 1.00 C ATOM 1208 O GLN A 82 -12.242 5.787 1.406 1.00 1.00 O ATOM 1209 CB GLN A 82 -11.462 4.523 -1.274 1.00 1.00 C ATOM 1210 CG GLN A 82 -11.695 3.012 -1.325 1.00 1.00 C ATOM 1211 CD GLN A 82 -12.927 2.676 -2.168 1.00 1.00 C ATOM 1212 OE1 GLN A 82 -13.824 3.482 -2.352 1.00 1.00 O ATOM 1213 NE2 GLN A 82 -12.920 1.443 -2.668 1.00 1.00 N ATOM 0 H GLN A 82 -9.668 3.016 -0.157 1.00 1.00 H new ATOM 0 HA GLN A 82 -10.193 5.905 -0.263 1.00 1.00 H new ATOM 0 HB2 GLN A 82 -12.419 5.040 -1.201 1.00 1.00 H new ATOM 0 HB3 GLN A 82 -10.991 4.853 -2.200 1.00 1.00 H new ATOM 0 HG2 GLN A 82 -10.818 2.519 -1.744 1.00 1.00 H new ATOM 0 HG3 GLN A 82 -11.825 2.626 -0.314 1.00 1.00 H new ATOM 0 HE21 GLN A 82 -12.137 0.819 -2.475 1.00 1.00 H new ATOM 0 HE22 GLN A 82 -13.698 1.122 -3.244 1.00 1.00 H new ATOM 1222 N LYS A 83 -11.093 3.958 2.075 1.00 1.00 N ATOM 1223 CA LYS A 83 -11.783 3.853 3.349 1.00 1.00 C ATOM 1224 C LYS A 83 -11.154 4.828 4.346 1.00 1.00 C ATOM 1225 O LYS A 83 -11.860 5.475 5.119 1.00 1.00 O ATOM 1226 CB LYS A 83 -11.798 2.402 3.834 1.00 1.00 C ATOM 1227 CG LYS A 83 -11.266 2.296 5.264 1.00 1.00 C ATOM 1228 CD LYS A 83 -11.422 0.873 5.803 1.00 1.00 C ATOM 1229 CE LYS A 83 -11.435 -0.147 4.663 1.00 1.00 C ATOM 1230 NZ LYS A 83 -11.710 -1.505 5.185 1.00 1.00 N ATOM 0 H LYS A 83 -10.384 3.242 1.914 1.00 1.00 H new ATOM 0 HA LYS A 83 -12.829 4.138 3.240 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -12.814 2.011 3.791 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -11.191 1.787 3.170 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -10.215 2.584 5.287 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -11.802 2.993 5.908 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -10.604 0.648 6.488 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -12.347 0.796 6.375 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -12.194 0.128 3.930 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -10.475 -0.137 4.147 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -11.715 -2.185 4.398 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -10.971 -1.771 5.867 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -12.637 -1.514 5.657 1.00 1.00 H new ATOM 1244 N GLU A 84 -9.832 4.903 4.298 1.00 1.00 N ATOM 1245 CA GLU A 84 -9.099 5.788 5.187 1.00 1.00 C ATOM 1246 C GLU A 84 -8.895 7.154 4.528 1.00 1.00 C ATOM 1247 O GLU A 84 -8.215 8.018 5.079 1.00 1.00 O ATOM 1248 CB GLU A 84 -7.760 5.170 5.594 1.00 1.00 C ATOM 1249 CG GLU A 84 -7.891 3.659 5.793 1.00 1.00 C ATOM 1250 CD GLU A 84 -8.618 3.339 7.101 1.00 1.00 C ATOM 1251 OE1 GLU A 84 -9.077 4.306 7.746 1.00 1.00 O ATOM 1252 OE2 GLU A 84 -8.697 2.135 7.427 1.00 1.00 O ATOM 0 H GLU A 84 -9.249 4.365 3.657 1.00 1.00 H new ATOM 0 HA GLU A 84 -9.688 5.929 6.094 1.00 1.00 H new ATOM 0 HB2 GLU A 84 -7.013 5.376 4.828 1.00 1.00 H new ATOM 0 HB3 GLU A 84 -7.407 5.632 6.516 1.00 1.00 H new ATOM 0 HG2 GLU A 84 -8.435 3.224 4.955 1.00 1.00 H new ATOM 0 HG3 GLU A 84 -6.901 3.203 5.802 1.00 1.00 H new ATOM 1259 N GLY A 85 -9.497 7.306 3.357 1.00 1.00 N ATOM 1260 CA GLY A 85 -9.390 8.551 2.616 1.00 1.00 C ATOM 1261 C GLY A 85 -7.961 8.770 2.116 1.00 1.00 C ATOM 1262 O GLY A 85 -7.693 9.728 1.393 1.00 1.00 O ATOM 0 H GLY A 85 -10.061 6.587 2.903 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -10.077 8.535 1.770 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -9.688 9.384 3.253 1.00 1.00 H new ATOM 1266 N LEU A 86 -7.081 7.866 2.520 1.00 1.00 N ATOM 1267 CA LEU A 86 -5.686 7.948 2.121 1.00 1.00 C ATOM 1268 C LEU A 86 -5.601 8.039 0.596 1.00 1.00 C ATOM 1269 O LEU A 86 -4.926 8.917 0.060 1.00 1.00 O ATOM 1270 CB LEU A 86 -4.890 6.784 2.714 1.00 1.00 C ATOM 1271 CG LEU A 86 -3.973 7.127 3.890 1.00 1.00 C ATOM 1272 CD1 LEU A 86 -3.298 5.871 4.443 1.00 1.00 C ATOM 1273 CD2 LEU A 86 -2.955 8.199 3.496 1.00 1.00 C ATOM 0 H LEU A 86 -7.307 7.073 3.120 1.00 1.00 H new ATOM 0 HA LEU A 86 -5.228 8.853 2.520 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -5.593 6.018 3.039 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -4.283 6.344 1.922 1.00 1.00 H new ATOM 0 HG LEU A 86 -4.585 7.542 4.691 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -2.652 6.143 5.278 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -4.059 5.170 4.786 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -2.701 5.404 3.660 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -2.316 8.425 4.349 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -2.343 7.834 2.671 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -3.480 9.103 3.187 1.00 1.00 H new ATOM 1285 N ALA A 87 -6.294 7.120 -0.059 1.00 1.00 N ATOM 1286 CA ALA A 87 -6.305 7.085 -1.512 1.00 1.00 C ATOM 1287 C ALA A 87 -7.750 6.984 -2.004 1.00 1.00 C ATOM 1288 O ALA A 87 -8.674 6.846 -1.204 1.00 1.00 O ATOM 1289 CB ALA A 87 -5.439 5.922 -2.001 1.00 1.00 C ATOM 0 H ALA A 87 -6.852 6.394 0.389 1.00 1.00 H new ATOM 0 HA ALA A 87 -5.881 8.002 -1.922 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -5.447 5.895 -3.091 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -4.416 6.057 -1.649 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -5.836 4.984 -1.612 1.00 1.00 H new ATOM 1295 N GLU A 88 -7.899 7.055 -3.319 1.00 1.00 N ATOM 1296 CA GLU A 88 -9.216 6.973 -3.927 1.00 1.00 C ATOM 1297 C GLU A 88 -9.642 5.511 -4.076 1.00 1.00 C ATOM 1298 O GLU A 88 -8.899 4.603 -3.705 1.00 1.00 O ATOM 1299 CB GLU A 88 -9.242 7.691 -5.278 1.00 1.00 C ATOM 1300 CG GLU A 88 -7.961 7.416 -6.069 1.00 1.00 C ATOM 1301 CD GLU A 88 -8.256 7.300 -7.566 1.00 1.00 C ATOM 1302 OE1 GLU A 88 -8.955 6.331 -7.933 1.00 1.00 O ATOM 1303 OE2 GLU A 88 -7.775 8.182 -8.309 1.00 1.00 O ATOM 0 H GLU A 88 -7.130 7.168 -3.980 1.00 1.00 H new ATOM 0 HA GLU A 88 -9.929 7.474 -3.272 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -10.107 7.361 -5.853 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -9.354 8.764 -5.122 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -7.244 8.218 -5.897 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -7.500 6.495 -5.713 1.00 1.00 H new