USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 1024 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 8 LYS NZ :NH3+ -171:sc= 0 (180deg=0) USER MOD Set 1.2: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 50 ASN : amide:sc= -3.12! C(o=-3.1!,f=-4.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= -2.36 (180deg=-2.49) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0111) USER MOD Single : A 15 GLN : amide:sc=-0.00102 X(o=-0.001,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.24 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0226 X(o=-0.023,f=0) USER MOD Single : A 28 GLN : amide:sc= -0.374 X(o=-0.37,f=-0.33) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 42 GLN : amide:sc=-0.00683 X(o=-0.0068,f=-0.49) USER MOD Single : A 44 MET CE :methyl -127:sc= -7.21! (180deg=-12.5!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 156:sc= -10.1! (180deg=-13.3!) USER MOD Single : A 49 GLN : amide:sc= -0.156 K(o=-0.16,f=-1.5!) USER MOD Single : A 52 HIS : no HE2:sc= -10.7! C(o=-11!,f=-18!) USER MOD Single : A 53 HIS : no HD1:sc= -0.0788 X(o=-0.079,f=-0.18) USER MOD Single : A 57 SER OG : rot 85:sc= -0.446! USER MOD Single : A 60 ASN : amide:sc= 1.09 K(o=1.1,f=-0.5) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc=-0.00375 X(o=-0.0038,f=-0.23) USER MOD Single : A 76 ASN : amide:sc= -0.0873 X(o=-0.087,f=0) USER MOD Single : A 79 THR OG1 : rot 160:sc= -0.429 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 84:sc= -0.768! USER MOD Single : A 90 GLN : amide:sc= -0.452 K(o=-0.45,f=-3.3!) USER MOD Single : A 97 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.0027) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.246 X(o=-0.25,f=-0.37) USER MOD Single : A 106 ASN : amide:sc= -8.52! C(o=-8.5!,f=-19!) USER MOD Single : A 110 LYS NZ :NH3+ -121:sc= -0.0805 (180deg=-1.81!) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.0145 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.332 -14.859 -12.887 1.00 0.00 N ATOM 2 CA MET A 1 -1.825 -14.858 -14.248 1.00 0.00 C ATOM 3 C MET A 1 -2.966 -15.007 -15.257 1.00 0.00 C ATOM 4 O MET A 1 -2.951 -14.375 -16.313 1.00 0.00 O ATOM 5 CB MET A 1 -0.834 -16.010 -14.425 1.00 0.00 C ATOM 6 CG MET A 1 -1.524 -17.362 -14.231 1.00 0.00 C ATOM 7 SD MET A 1 -0.335 -18.683 -14.394 1.00 0.00 S ATOM 8 CE MET A 1 -1.025 -19.551 -15.792 1.00 0.00 C ATOM 0 H1 MET A 1 -1.555 -14.655 -12.227 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.068 -14.131 -12.790 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.737 -15.792 -12.668 1.00 0.00 H new ATOM 0 HA MET A 1 -1.325 -13.906 -14.429 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.391 -15.963 -15.420 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.020 -15.907 -13.708 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.993 -17.403 -13.248 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.318 -17.483 -14.968 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.400 -20.412 -16.030 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.032 -19.889 -15.549 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.064 -18.882 -16.652 1.00 0.00 H new ATOM 18 N SER A 2 -3.927 -15.843 -14.897 1.00 0.00 N ATOM 19 CA SER A 2 -5.074 -16.082 -15.758 1.00 0.00 C ATOM 20 C SER A 2 -5.855 -14.784 -15.961 1.00 0.00 C ATOM 21 O SER A 2 -6.300 -14.489 -17.070 1.00 0.00 O ATOM 22 CB SER A 2 -5.984 -17.164 -15.174 1.00 0.00 C ATOM 23 OG SER A 2 -6.284 -18.180 -16.127 1.00 0.00 O ATOM 0 H SER A 2 -3.936 -16.364 -14.020 1.00 0.00 H new ATOM 0 HA SER A 2 -4.710 -16.434 -16.723 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.503 -17.613 -14.305 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.911 -16.709 -14.825 1.00 0.00 H new ATOM 0 HG SER A 2 -6.866 -18.853 -15.716 1.00 0.00 H new ATOM 29 N LEU A 3 -5.999 -14.040 -14.874 1.00 0.00 N ATOM 30 CA LEU A 3 -6.719 -12.778 -14.919 1.00 0.00 C ATOM 31 C LEU A 3 -6.059 -11.784 -13.962 1.00 0.00 C ATOM 32 O LEU A 3 -4.939 -12.007 -13.506 1.00 0.00 O ATOM 33 CB LEU A 3 -8.208 -13.001 -14.643 1.00 0.00 C ATOM 34 CG LEU A 3 -8.580 -13.325 -13.195 1.00 0.00 C ATOM 35 CD1 LEU A 3 -9.304 -12.147 -12.539 1.00 0.00 C ATOM 36 CD2 LEU A 3 -9.397 -14.616 -13.114 1.00 0.00 C ATOM 0 H LEU A 3 -5.629 -14.287 -13.956 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.664 -12.344 -15.917 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.751 -12.106 -14.945 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.557 -13.815 -15.278 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.660 -13.491 -12.635 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -9.558 -12.403 -11.510 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -8.655 -11.272 -12.546 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.216 -11.926 -13.093 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -9.648 -14.823 -12.074 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.314 -14.503 -13.693 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.812 -15.443 -13.517 1.00 0.00 H new ATOM 48 N ALA A 4 -6.780 -10.708 -13.687 1.00 0.00 N ATOM 49 CA ALA A 4 -6.278 -9.678 -12.793 1.00 0.00 C ATOM 50 C ALA A 4 -5.873 -10.318 -11.463 1.00 0.00 C ATOM 51 O ALA A 4 -5.073 -9.755 -10.718 1.00 0.00 O ATOM 52 CB ALA A 4 -7.341 -8.592 -12.618 1.00 0.00 C ATOM 0 H ALA A 4 -7.709 -10.526 -14.068 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.392 -9.202 -13.213 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.965 -7.819 -11.948 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.573 -8.150 -13.587 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -8.244 -9.032 -12.194 1.00 0.00 H new ATOM 58 N GLU A 5 -6.445 -11.485 -11.206 1.00 0.00 N ATOM 59 CA GLU A 5 -6.154 -12.206 -9.979 1.00 0.00 C ATOM 60 C GLU A 5 -4.714 -11.939 -9.535 1.00 0.00 C ATOM 61 O GLU A 5 -4.468 -11.628 -8.370 1.00 0.00 O ATOM 62 CB GLU A 5 -6.406 -13.706 -10.152 1.00 0.00 C ATOM 63 CG GLU A 5 -6.496 -14.406 -8.794 1.00 0.00 C ATOM 64 CD GLU A 5 -7.196 -15.761 -8.923 1.00 0.00 C ATOM 65 OE1 GLU A 5 -8.203 -15.813 -9.661 1.00 0.00 O ATOM 66 OE2 GLU A 5 -6.706 -16.715 -8.280 1.00 0.00 O ATOM 0 H GLU A 5 -7.108 -11.949 -11.827 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.826 -11.845 -9.200 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.331 -13.862 -10.708 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.602 -14.148 -10.741 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.495 -14.547 -8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.041 -13.776 -8.091 1.00 0.00 H new ATOM 73 N LYS A 6 -3.801 -12.071 -10.486 1.00 0.00 N ATOM 74 CA LYS A 6 -2.393 -11.847 -10.208 1.00 0.00 C ATOM 75 C LYS A 6 -2.227 -10.511 -9.482 1.00 0.00 C ATOM 76 O LYS A 6 -1.729 -10.469 -8.357 1.00 0.00 O ATOM 77 CB LYS A 6 -1.570 -11.956 -11.492 1.00 0.00 C ATOM 78 CG LYS A 6 -0.162 -12.479 -11.199 1.00 0.00 C ATOM 79 CD LYS A 6 0.878 -11.776 -12.073 1.00 0.00 C ATOM 80 CE LYS A 6 0.742 -12.200 -13.536 1.00 0.00 C ATOM 81 NZ LYS A 6 1.510 -13.440 -13.790 1.00 0.00 N ATOM 0 H LYS A 6 -4.009 -12.330 -11.450 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.008 -12.621 -9.544 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.071 -12.623 -12.193 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.506 -10.979 -11.971 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.076 -12.322 -10.147 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.125 -13.554 -11.377 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.757 -10.696 -11.991 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.880 -12.012 -11.714 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.309 -12.360 -13.778 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.101 -11.403 -14.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.366 -13.742 -14.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.522 -13.261 -13.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.183 -14.189 -13.147 1.00 0.00 H new ATOM 95 N ILE A 7 -2.652 -9.451 -10.154 1.00 0.00 N ATOM 96 CA ILE A 7 -2.556 -8.117 -9.586 1.00 0.00 C ATOM 97 C ILE A 7 -3.740 -7.882 -8.646 1.00 0.00 C ATOM 98 O ILE A 7 -4.880 -8.194 -8.988 1.00 0.00 O ATOM 99 CB ILE A 7 -2.434 -7.071 -10.695 1.00 0.00 C ATOM 100 CG1 ILE A 7 -1.517 -7.564 -11.816 1.00 0.00 C ATOM 101 CG2 ILE A 7 -1.976 -5.725 -10.131 1.00 0.00 C ATOM 102 CD1 ILE A 7 -2.324 -8.235 -12.930 1.00 0.00 C ATOM 0 H ILE A 7 -3.064 -9.489 -11.086 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.650 -8.021 -8.988 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.422 -6.919 -11.130 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.953 -6.725 -12.225 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.791 -8.270 -11.413 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.897 -4.999 -10.940 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.700 -5.373 -9.397 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.003 -5.843 -9.653 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.648 -8.576 -13.714 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.867 -9.088 -12.523 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.032 -7.520 -13.348 1.00 0.00 H new ATOM 114 N LYS A 8 -3.430 -7.332 -7.481 1.00 0.00 N ATOM 115 CA LYS A 8 -4.454 -7.052 -6.489 1.00 0.00 C ATOM 116 C LYS A 8 -4.005 -5.878 -5.617 1.00 0.00 C ATOM 117 O LYS A 8 -2.893 -5.882 -5.090 1.00 0.00 O ATOM 118 CB LYS A 8 -4.791 -8.315 -5.695 1.00 0.00 C ATOM 119 CG LYS A 8 -6.173 -8.851 -6.077 1.00 0.00 C ATOM 120 CD LYS A 8 -7.280 -7.930 -5.560 1.00 0.00 C ATOM 121 CE LYS A 8 -7.318 -7.924 -4.030 1.00 0.00 C ATOM 122 NZ LYS A 8 -8.565 -8.554 -3.541 1.00 0.00 N ATOM 0 H LYS A 8 -2.484 -7.073 -7.202 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.383 -6.752 -6.974 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.036 -9.079 -5.882 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.764 -8.096 -4.628 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.246 -8.940 -7.161 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.306 -9.852 -5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.116 -6.917 -5.927 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.243 -8.259 -5.950 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.454 -8.460 -3.637 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.252 -6.900 -3.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.649 -8.407 -2.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.382 -8.124 -4.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.542 -9.574 -3.744 1.00 0.00 H new ATOM 136 N VAL A 9 -4.891 -4.903 -5.491 1.00 0.00 N ATOM 137 CA VAL A 9 -4.600 -3.725 -4.690 1.00 0.00 C ATOM 138 C VAL A 9 -5.543 -3.684 -3.487 1.00 0.00 C ATOM 139 O VAL A 9 -6.741 -3.932 -3.623 1.00 0.00 O ATOM 140 CB VAL A 9 -4.685 -2.468 -5.560 1.00 0.00 C ATOM 141 CG1 VAL A 9 -3.306 -1.832 -5.740 1.00 0.00 C ATOM 142 CG2 VAL A 9 -5.325 -2.780 -6.913 1.00 0.00 C ATOM 0 H VAL A 9 -5.812 -4.903 -5.930 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.582 -3.769 -4.302 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.322 -1.748 -5.046 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.395 -0.941 -6.362 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.903 -1.556 -4.766 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.636 -2.545 -6.221 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.373 -1.870 -7.511 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.726 -3.526 -7.435 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.332 -3.166 -6.759 1.00 0.00 H new ATOM 152 N LEU A 10 -4.969 -3.370 -2.336 1.00 0.00 N ATOM 153 CA LEU A 10 -5.743 -3.294 -1.108 1.00 0.00 C ATOM 154 C LEU A 10 -5.713 -1.859 -0.580 1.00 0.00 C ATOM 155 O LEU A 10 -4.645 -1.324 -0.287 1.00 0.00 O ATOM 156 CB LEU A 10 -5.250 -4.332 -0.099 1.00 0.00 C ATOM 157 CG LEU A 10 -5.190 -3.873 1.360 1.00 0.00 C ATOM 158 CD1 LEU A 10 -3.936 -3.036 1.619 1.00 0.00 C ATOM 159 CD2 LEU A 10 -6.468 -3.131 1.754 1.00 0.00 C ATOM 0 H LEU A 10 -3.976 -3.165 -2.227 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.787 -3.541 -1.299 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.900 -5.205 -0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.253 -4.656 -0.399 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.124 -4.757 1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.917 -2.722 2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.050 -3.632 1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.947 -2.156 0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.399 -2.816 2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.591 -2.255 1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.325 -3.793 1.631 1.00 0.00 H new ATOM 171 N ILE A 11 -6.898 -1.277 -0.473 1.00 0.00 N ATOM 172 CA ILE A 11 -7.021 0.086 0.017 1.00 0.00 C ATOM 173 C ILE A 11 -7.788 0.081 1.341 1.00 0.00 C ATOM 174 O ILE A 11 -9.013 0.184 1.352 1.00 0.00 O ATOM 175 CB ILE A 11 -7.646 0.985 -1.053 1.00 0.00 C ATOM 176 CG1 ILE A 11 -8.932 0.368 -1.605 1.00 0.00 C ATOM 177 CG2 ILE A 11 -6.639 1.299 -2.162 1.00 0.00 C ATOM 178 CD1 ILE A 11 -8.624 -0.651 -2.704 1.00 0.00 C ATOM 0 H ILE A 11 -7.782 -1.724 -0.717 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.037 0.508 0.221 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.918 1.932 -0.587 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.482 -0.117 -0.799 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.575 1.153 -2.002 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.108 1.939 -2.909 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.776 1.811 -1.736 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.314 0.371 -2.632 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.556 -1.074 -3.079 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.095 -0.158 -3.520 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.001 -1.448 -2.297 1.00 0.00 H new ATOM 190 N VAL A 12 -7.035 -0.039 2.423 1.00 0.00 N ATOM 191 CA VAL A 12 -7.628 -0.060 3.750 1.00 0.00 C ATOM 192 C VAL A 12 -6.987 1.034 4.607 1.00 0.00 C ATOM 193 O VAL A 12 -5.776 1.244 4.547 1.00 0.00 O ATOM 194 CB VAL A 12 -7.495 -1.455 4.362 1.00 0.00 C ATOM 195 CG1 VAL A 12 -6.068 -1.703 4.856 1.00 0.00 C ATOM 196 CG2 VAL A 12 -8.508 -1.659 5.490 1.00 0.00 C ATOM 0 H VAL A 12 -6.019 -0.123 2.409 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.695 0.154 3.695 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.712 -2.184 3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.001 -2.702 5.287 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.374 -1.621 4.020 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.812 -0.963 5.614 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.391 -2.659 5.907 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.337 -0.918 6.271 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.518 -1.546 5.097 1.00 0.00 H new ATOM 206 N ASP A 13 -7.827 1.700 5.385 1.00 0.00 N ATOM 207 CA ASP A 13 -7.357 2.766 6.254 1.00 0.00 C ATOM 208 C ASP A 13 -8.224 2.812 7.513 1.00 0.00 C ATOM 209 O ASP A 13 -9.246 2.131 7.592 1.00 0.00 O ATOM 210 CB ASP A 13 -7.459 4.127 5.560 1.00 0.00 C ATOM 211 CG ASP A 13 -6.840 4.188 4.162 1.00 0.00 C ATOM 212 OD1 ASP A 13 -7.144 3.272 3.367 1.00 0.00 O ATOM 213 OD2 ASP A 13 -6.078 5.148 3.920 1.00 0.00 O ATOM 0 H ASP A 13 -8.830 1.522 5.432 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.315 2.564 6.502 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.511 4.403 5.488 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.976 4.875 6.188 1.00 0.00 H new ATOM 218 N ASP A 14 -7.785 3.620 8.466 1.00 0.00 N ATOM 219 CA ASP A 14 -8.509 3.763 9.718 1.00 0.00 C ATOM 220 C ASP A 14 -9.719 4.673 9.502 1.00 0.00 C ATOM 221 O ASP A 14 -10.639 4.692 10.318 1.00 0.00 O ATOM 222 CB ASP A 14 -7.627 4.398 10.795 1.00 0.00 C ATOM 223 CG ASP A 14 -7.875 3.891 12.217 1.00 0.00 C ATOM 224 OD1 ASP A 14 -8.797 4.437 12.860 1.00 0.00 O ATOM 225 OD2 ASP A 14 -7.138 2.969 12.628 1.00 0.00 O ATOM 0 H ASP A 14 -6.937 4.183 8.397 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.818 2.770 10.044 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.583 4.220 10.539 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.780 5.477 10.779 1.00 0.00 H new ATOM 230 N GLN A 15 -9.680 5.404 8.398 1.00 0.00 N ATOM 231 CA GLN A 15 -10.761 6.314 8.064 1.00 0.00 C ATOM 232 C GLN A 15 -11.014 6.307 6.553 1.00 0.00 C ATOM 233 O GLN A 15 -10.074 6.377 5.764 1.00 0.00 O ATOM 234 CB GLN A 15 -10.462 7.729 8.563 1.00 0.00 C ATOM 235 CG GLN A 15 -11.716 8.379 9.152 1.00 0.00 C ATOM 236 CD GLN A 15 -11.350 9.385 10.245 1.00 0.00 C ATOM 237 OE1 GLN A 15 -11.406 10.589 10.060 1.00 0.00 O ATOM 238 NE2 GLN A 15 -10.972 8.826 11.391 1.00 0.00 N ATOM 0 H GLN A 15 -8.916 5.384 7.723 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.666 5.971 8.566 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.677 7.694 9.319 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.085 8.337 7.740 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.275 8.882 8.362 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.369 7.610 9.564 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.947 7.810 11.479 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -10.707 9.413 12.182 1.00 0.00 H new ATOM 247 N VAL A 16 -12.287 6.222 6.199 1.00 0.00 N ATOM 248 CA VAL A 16 -12.676 6.205 4.800 1.00 0.00 C ATOM 249 C VAL A 16 -11.991 7.364 4.071 1.00 0.00 C ATOM 250 O VAL A 16 -11.332 7.159 3.053 1.00 0.00 O ATOM 251 CB VAL A 16 -14.200 6.239 4.679 1.00 0.00 C ATOM 252 CG1 VAL A 16 -14.783 4.824 4.682 1.00 0.00 C ATOM 253 CG2 VAL A 16 -14.819 7.090 5.788 1.00 0.00 C ATOM 0 H VAL A 16 -13.063 6.164 6.858 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.347 5.281 4.323 1.00 0.00 H new ATOM 0 HB VAL A 16 -14.450 6.701 3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.868 4.877 4.595 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.379 4.262 3.840 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.518 4.323 5.613 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -15.903 7.097 5.679 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.555 6.671 6.759 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -14.440 8.110 5.718 1.00 0.00 H new ATOM 263 N THR A 17 -12.172 8.555 4.621 1.00 0.00 N ATOM 264 CA THR A 17 -11.581 9.747 4.038 1.00 0.00 C ATOM 265 C THR A 17 -10.177 9.442 3.512 1.00 0.00 C ATOM 266 O THR A 17 -9.870 9.721 2.353 1.00 0.00 O ATOM 267 CB THR A 17 -11.607 10.854 5.093 1.00 0.00 C ATOM 268 OG1 THR A 17 -10.799 10.346 6.151 1.00 0.00 O ATOM 269 CG2 THR A 17 -12.988 11.024 5.728 1.00 0.00 C ATOM 0 H THR A 17 -12.720 8.720 5.465 1.00 0.00 H new ATOM 0 HA THR A 17 -12.151 10.089 3.175 1.00 0.00 H new ATOM 0 HB THR A 17 -11.297 11.795 4.639 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.760 11.003 6.877 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.952 11.822 6.470 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.714 11.279 4.956 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.283 10.093 6.211 1.00 0.00 H new ATOM 277 N SER A 18 -9.362 8.876 4.388 1.00 0.00 N ATOM 278 CA SER A 18 -7.997 8.530 4.027 1.00 0.00 C ATOM 279 C SER A 18 -8.000 7.463 2.930 1.00 0.00 C ATOM 280 O SER A 18 -7.374 7.639 1.886 1.00 0.00 O ATOM 281 CB SER A 18 -7.213 8.037 5.244 1.00 0.00 C ATOM 282 OG SER A 18 -7.038 9.063 6.218 1.00 0.00 O ATOM 0 H SER A 18 -9.620 8.648 5.348 1.00 0.00 H new ATOM 0 HA SER A 18 -7.505 9.427 3.651 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.736 7.194 5.695 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.238 7.672 4.923 1.00 0.00 H new ATOM 0 HG SER A 18 -6.534 8.708 6.980 1.00 0.00 H new ATOM 288 N ARG A 19 -8.713 6.380 3.204 1.00 0.00 N ATOM 289 CA ARG A 19 -8.806 5.285 2.255 1.00 0.00 C ATOM 290 C ARG A 19 -9.519 5.746 0.981 1.00 0.00 C ATOM 291 O ARG A 19 -8.893 5.889 -0.067 1.00 0.00 O ATOM 292 CB ARG A 19 -9.563 4.098 2.854 1.00 0.00 C ATOM 293 CG ARG A 19 -9.445 2.863 1.959 1.00 0.00 C ATOM 294 CD ARG A 19 -10.569 2.828 0.921 1.00 0.00 C ATOM 295 NE ARG A 19 -11.884 2.875 1.599 1.00 0.00 N ATOM 296 CZ ARG A 19 -12.376 1.883 2.355 1.00 0.00 C ATOM 297 NH1 ARG A 19 -11.663 0.762 2.535 1.00 0.00 N ATOM 298 NH2 ARG A 19 -13.578 2.012 2.931 1.00 0.00 N ATOM 0 H ARG A 19 -9.232 6.238 4.071 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.791 4.969 2.014 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.168 3.873 3.844 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.613 4.359 2.982 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.479 2.866 1.454 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.482 1.961 2.571 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.472 3.672 0.239 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.492 1.922 0.320 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.451 3.715 1.484 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.747 0.664 2.097 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.037 0.007 3.110 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.120 2.865 2.795 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.952 1.257 3.506 1.00 0.00 H new ATOM 312 N LEU A 20 -10.819 5.964 1.115 1.00 0.00 N ATOM 313 CA LEU A 20 -11.624 6.405 -0.011 1.00 0.00 C ATOM 314 C LEU A 20 -10.826 7.415 -0.838 1.00 0.00 C ATOM 315 O LEU A 20 -10.994 7.500 -2.054 1.00 0.00 O ATOM 316 CB LEU A 20 -12.975 6.936 0.471 1.00 0.00 C ATOM 317 CG LEU A 20 -13.273 8.403 0.149 1.00 0.00 C ATOM 318 CD1 LEU A 20 -14.670 8.797 0.634 1.00 0.00 C ATOM 319 CD2 LEU A 20 -12.188 9.320 0.716 1.00 0.00 C ATOM 0 H LEU A 20 -11.335 5.843 1.987 1.00 0.00 H new ATOM 0 HA LEU A 20 -11.854 5.565 -0.667 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -13.762 6.321 0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -13.031 6.803 1.551 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.262 8.525 -0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.857 9.843 0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.416 8.173 0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.734 8.656 1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.424 10.356 0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.142 9.203 1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.224 9.056 0.281 1.00 0.00 H new ATOM 331 N LEU A 21 -9.972 8.156 -0.146 1.00 0.00 N ATOM 332 CA LEU A 21 -9.147 9.157 -0.801 1.00 0.00 C ATOM 333 C LEU A 21 -8.130 8.460 -1.707 1.00 0.00 C ATOM 334 O LEU A 21 -8.022 8.784 -2.889 1.00 0.00 O ATOM 335 CB LEU A 21 -8.512 10.089 0.233 1.00 0.00 C ATOM 336 CG LEU A 21 -9.324 11.330 0.606 1.00 0.00 C ATOM 337 CD1 LEU A 21 -8.845 11.921 1.933 1.00 0.00 C ATOM 338 CD2 LEU A 21 -9.300 12.361 -0.523 1.00 0.00 C ATOM 0 H LEU A 21 -9.834 8.083 0.862 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.758 9.796 -1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.323 9.517 1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.543 10.414 -0.146 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.362 11.029 0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.439 12.802 2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.958 11.179 2.724 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.796 12.203 1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.885 13.233 -0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.271 12.663 -0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.727 11.923 -1.425 1.00 0.00 H new ATOM 350 N LEU A 22 -7.411 7.515 -1.120 1.00 0.00 N ATOM 351 CA LEU A 22 -6.407 6.769 -1.859 1.00 0.00 C ATOM 352 C LEU A 22 -7.101 5.828 -2.845 1.00 0.00 C ATOM 353 O LEU A 22 -6.721 5.758 -4.013 1.00 0.00 O ATOM 354 CB LEU A 22 -5.452 6.057 -0.898 1.00 0.00 C ATOM 355 CG LEU A 22 -6.102 5.116 0.118 1.00 0.00 C ATOM 356 CD1 LEU A 22 -6.618 3.846 -0.562 1.00 0.00 C ATOM 357 CD2 LEU A 22 -5.142 4.802 1.267 1.00 0.00 C ATOM 0 H LEU A 22 -7.504 7.249 -0.140 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.786 7.445 -2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.735 5.485 -1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.886 6.813 -0.353 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.965 5.623 0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.075 3.195 0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.359 4.112 -1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.787 3.325 -1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.629 4.131 1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.246 4.324 0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.867 5.727 1.774 1.00 0.00 H new ATOM 369 N GLY A 23 -8.106 5.128 -2.340 1.00 0.00 N ATOM 370 CA GLY A 23 -8.856 4.194 -3.163 1.00 0.00 C ATOM 371 C GLY A 23 -9.475 4.902 -4.369 1.00 0.00 C ATOM 372 O GLY A 23 -9.644 4.299 -5.427 1.00 0.00 O ATOM 0 H GLY A 23 -8.419 5.189 -1.371 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.198 3.395 -3.504 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.641 3.728 -2.568 1.00 0.00 H new ATOM 376 N ASP A 24 -9.797 6.172 -4.170 1.00 0.00 N ATOM 377 CA ASP A 24 -10.394 6.968 -5.228 1.00 0.00 C ATOM 378 C ASP A 24 -9.319 7.337 -6.251 1.00 0.00 C ATOM 379 O ASP A 24 -9.524 7.187 -7.455 1.00 0.00 O ATOM 380 CB ASP A 24 -10.985 8.266 -4.674 1.00 0.00 C ATOM 381 CG ASP A 24 -12.432 8.162 -4.188 1.00 0.00 C ATOM 382 OD1 ASP A 24 -13.180 7.366 -4.797 1.00 0.00 O ATOM 383 OD2 ASP A 24 -12.759 8.880 -3.219 1.00 0.00 O ATOM 0 H ASP A 24 -9.655 6.669 -3.291 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.187 6.378 -5.687 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.363 8.606 -3.846 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.932 9.031 -5.448 1.00 0.00 H new ATOM 388 N ALA A 25 -8.195 7.813 -5.736 1.00 0.00 N ATOM 389 CA ALA A 25 -7.087 8.205 -6.589 1.00 0.00 C ATOM 390 C ALA A 25 -6.484 6.958 -7.240 1.00 0.00 C ATOM 391 O ALA A 25 -6.231 6.943 -8.443 1.00 0.00 O ATOM 392 CB ALA A 25 -6.060 8.987 -5.768 1.00 0.00 C ATOM 0 H ALA A 25 -8.028 7.936 -4.737 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.433 8.861 -7.388 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.229 9.281 -6.409 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.530 9.878 -5.352 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.689 8.360 -4.957 1.00 0.00 H new ATOM 398 N LEU A 26 -6.273 5.943 -6.415 1.00 0.00 N ATOM 399 CA LEU A 26 -5.705 4.695 -6.896 1.00 0.00 C ATOM 400 C LEU A 26 -6.575 4.146 -8.028 1.00 0.00 C ATOM 401 O LEU A 26 -6.073 3.833 -9.106 1.00 0.00 O ATOM 402 CB LEU A 26 -5.511 3.714 -5.738 1.00 0.00 C ATOM 403 CG LEU A 26 -4.205 3.852 -4.953 1.00 0.00 C ATOM 404 CD1 LEU A 26 -3.027 4.118 -5.892 1.00 0.00 C ATOM 405 CD2 LEU A 26 -4.328 4.924 -3.869 1.00 0.00 C ATOM 0 H LEU A 26 -6.485 5.959 -5.417 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.711 4.864 -7.311 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.343 3.833 -5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.568 2.700 -6.134 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.007 2.906 -4.449 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.111 4.212 -5.309 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.927 3.290 -6.594 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.203 5.042 -6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.386 5.002 -3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.561 5.883 -4.331 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.125 4.652 -3.177 1.00 0.00 H new ATOM 417 N GLN A 27 -7.866 4.045 -7.744 1.00 0.00 N ATOM 418 CA GLN A 27 -8.811 3.539 -8.725 1.00 0.00 C ATOM 419 C GLN A 27 -8.793 4.415 -9.979 1.00 0.00 C ATOM 420 O GLN A 27 -9.000 3.922 -11.087 1.00 0.00 O ATOM 421 CB GLN A 27 -10.220 3.454 -8.135 1.00 0.00 C ATOM 422 CG GLN A 27 -10.852 4.843 -8.021 1.00 0.00 C ATOM 423 CD GLN A 27 -12.376 4.746 -7.922 1.00 0.00 C ATOM 424 OE1 GLN A 27 -12.929 4.190 -6.987 1.00 0.00 O ATOM 425 NE2 GLN A 27 -13.021 5.315 -8.936 1.00 0.00 N ATOM 0 H GLN A 27 -8.279 4.305 -6.848 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.509 2.530 -9.006 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.843 2.818 -8.763 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.178 2.988 -7.151 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.459 5.354 -7.142 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.578 5.443 -8.888 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.496 5.764 -9.687 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -14.041 5.303 -8.963 1.00 0.00 H new ATOM 434 N GLN A 28 -8.544 5.698 -9.763 1.00 0.00 N ATOM 435 CA GLN A 28 -8.496 6.647 -10.863 1.00 0.00 C ATOM 436 C GLN A 28 -7.201 6.473 -11.659 1.00 0.00 C ATOM 437 O GLN A 28 -7.083 6.977 -12.775 1.00 0.00 O ATOM 438 CB GLN A 28 -8.640 8.083 -10.355 1.00 0.00 C ATOM 439 CG GLN A 28 -9.335 8.966 -11.392 1.00 0.00 C ATOM 440 CD GLN A 28 -10.775 8.505 -11.626 1.00 0.00 C ATOM 441 OE1 GLN A 28 -11.636 8.611 -10.769 1.00 0.00 O ATOM 442 NE2 GLN A 28 -10.988 7.989 -12.834 1.00 0.00 N ATOM 0 H GLN A 28 -8.373 6.103 -8.843 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.336 6.446 -11.527 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.211 8.088 -9.427 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -7.656 8.492 -10.126 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -9.331 10.002 -11.054 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.782 8.935 -12.331 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.222 7.929 -13.505 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.917 7.653 -13.089 1.00 0.00 H new ATOM 451 N LEU A 29 -6.264 5.759 -11.053 1.00 0.00 N ATOM 452 CA LEU A 29 -4.982 5.513 -11.691 1.00 0.00 C ATOM 453 C LEU A 29 -5.162 4.477 -12.803 1.00 0.00 C ATOM 454 O LEU A 29 -4.684 4.673 -13.920 1.00 0.00 O ATOM 455 CB LEU A 29 -3.932 5.121 -10.650 1.00 0.00 C ATOM 456 CG LEU A 29 -3.691 3.621 -10.471 1.00 0.00 C ATOM 457 CD1 LEU A 29 -2.817 3.067 -11.598 1.00 0.00 C ATOM 458 CD2 LEU A 29 -3.105 3.320 -9.090 1.00 0.00 C ATOM 0 H LEU A 29 -6.367 5.343 -10.127 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.608 6.423 -12.159 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.987 5.591 -10.922 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.230 5.538 -9.688 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.653 3.112 -10.530 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.661 1.999 -11.446 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.312 3.229 -12.556 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.854 3.578 -11.596 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.944 2.247 -8.989 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.155 3.842 -8.976 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.798 3.656 -8.319 1.00 0.00 H new ATOM 470 N GLY A 30 -5.851 3.400 -12.459 1.00 0.00 N ATOM 471 CA GLY A 30 -6.100 2.335 -13.415 1.00 0.00 C ATOM 472 C GLY A 30 -5.480 1.017 -12.941 1.00 0.00 C ATOM 473 O GLY A 30 -4.735 0.377 -13.680 1.00 0.00 O ATOM 0 H GLY A 30 -6.245 3.242 -11.532 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.174 2.208 -13.552 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.685 2.608 -14.385 1.00 0.00 H new ATOM 477 N PHE A 31 -5.811 0.654 -11.711 1.00 0.00 N ATOM 478 CA PHE A 31 -5.295 -0.574 -11.130 1.00 0.00 C ATOM 479 C PHE A 31 -6.003 -1.797 -11.717 1.00 0.00 C ATOM 480 O PHE A 31 -6.892 -1.661 -12.556 1.00 0.00 O ATOM 481 CB PHE A 31 -5.576 -0.510 -9.627 1.00 0.00 C ATOM 482 CG PHE A 31 -4.404 0.017 -8.797 1.00 0.00 C ATOM 483 CD1 PHE A 31 -3.126 -0.211 -9.203 1.00 0.00 C ATOM 484 CD2 PHE A 31 -4.640 0.713 -7.653 1.00 0.00 C ATOM 485 CE1 PHE A 31 -2.039 0.278 -8.432 1.00 0.00 C ATOM 486 CE2 PHE A 31 -3.551 1.202 -6.882 1.00 0.00 C ATOM 487 CZ PHE A 31 -2.274 0.974 -7.288 1.00 0.00 C ATOM 0 H PHE A 31 -6.430 1.188 -11.101 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.230 -0.667 -11.341 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.444 0.127 -9.457 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.839 -1.507 -9.274 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.938 -0.764 -10.112 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -5.655 0.894 -7.330 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.024 0.097 -8.755 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.738 1.755 -5.973 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.446 1.346 -6.702 1.00 0.00 H new ATOM 497 N LYS A 32 -5.582 -2.964 -11.252 1.00 0.00 N ATOM 498 CA LYS A 32 -6.163 -4.210 -11.721 1.00 0.00 C ATOM 499 C LYS A 32 -7.450 -4.492 -10.942 1.00 0.00 C ATOM 500 O LYS A 32 -8.540 -4.485 -11.513 1.00 0.00 O ATOM 501 CB LYS A 32 -5.138 -5.343 -11.645 1.00 0.00 C ATOM 502 CG LYS A 32 -4.416 -5.520 -12.982 1.00 0.00 C ATOM 503 CD LYS A 32 -5.214 -6.425 -13.921 1.00 0.00 C ATOM 504 CE LYS A 32 -5.143 -5.919 -15.363 1.00 0.00 C ATOM 505 NZ LYS A 32 -6.497 -5.847 -15.955 1.00 0.00 N ATOM 0 H LYS A 32 -4.845 -3.073 -10.555 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.437 -4.130 -12.773 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.412 -5.129 -10.861 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.638 -6.272 -11.372 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.266 -4.547 -13.450 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.428 -5.948 -12.812 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.825 -7.442 -13.869 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.254 -6.465 -13.597 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.677 -4.934 -15.386 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.515 -6.583 -15.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.430 -5.502 -16.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.929 -6.793 -15.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.085 -5.195 -15.398 1.00 0.00 H new ATOM 519 N GLN A 33 -7.281 -4.734 -9.650 1.00 0.00 N ATOM 520 CA GLN A 33 -8.414 -5.018 -8.787 1.00 0.00 C ATOM 521 C GLN A 33 -8.218 -4.360 -7.420 1.00 0.00 C ATOM 522 O GLN A 33 -7.343 -4.760 -6.655 1.00 0.00 O ATOM 523 CB GLN A 33 -8.631 -6.525 -8.644 1.00 0.00 C ATOM 524 CG GLN A 33 -10.021 -6.929 -9.140 1.00 0.00 C ATOM 525 CD GLN A 33 -10.211 -8.446 -9.064 1.00 0.00 C ATOM 526 OE1 GLN A 33 -9.358 -9.181 -8.593 1.00 0.00 O ATOM 527 NE2 GLN A 33 -11.373 -8.870 -9.552 1.00 0.00 N ATOM 0 H GLN A 33 -6.376 -4.739 -9.180 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.309 -4.598 -9.246 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.869 -7.061 -9.210 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.515 -6.815 -7.600 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.784 -6.433 -8.540 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.156 -6.593 -10.168 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.042 -8.200 -9.931 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.596 -9.865 -9.547 1.00 0.00 H new ATOM 536 N ILE A 34 -9.048 -3.361 -7.154 1.00 0.00 N ATOM 537 CA ILE A 34 -8.977 -2.645 -5.893 1.00 0.00 C ATOM 538 C ILE A 34 -9.824 -3.374 -4.848 1.00 0.00 C ATOM 539 O ILE A 34 -10.898 -3.885 -5.160 1.00 0.00 O ATOM 540 CB ILE A 34 -9.370 -1.178 -6.087 1.00 0.00 C ATOM 541 CG1 ILE A 34 -8.139 -0.270 -6.047 1.00 0.00 C ATOM 542 CG2 ILE A 34 -10.428 -0.755 -5.067 1.00 0.00 C ATOM 543 CD1 ILE A 34 -8.546 1.203 -6.001 1.00 0.00 C ATOM 0 H ILE A 34 -9.773 -3.031 -7.791 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.953 -2.631 -5.521 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.816 -1.072 -7.076 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.533 -0.511 -5.174 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.519 -0.453 -6.925 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -10.690 0.291 -5.227 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -11.317 -1.374 -5.187 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.032 -0.880 -4.059 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.652 1.827 -5.973 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.131 1.447 -6.888 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.145 1.387 -5.109 1.00 0.00 H new ATOM 555 N THR A 35 -9.306 -3.402 -3.628 1.00 0.00 N ATOM 556 CA THR A 35 -10.001 -4.061 -2.536 1.00 0.00 C ATOM 557 C THR A 35 -9.842 -3.259 -1.243 1.00 0.00 C ATOM 558 O THR A 35 -8.733 -3.115 -0.729 1.00 0.00 O ATOM 559 CB THR A 35 -9.469 -5.492 -2.433 1.00 0.00 C ATOM 560 OG1 THR A 35 -10.636 -6.280 -2.209 1.00 0.00 O ATOM 561 CG2 THR A 35 -8.623 -5.715 -1.177 1.00 0.00 C ATOM 0 H THR A 35 -8.414 -2.979 -3.373 1.00 0.00 H new ATOM 0 HA THR A 35 -11.074 -4.110 -2.721 1.00 0.00 H new ATOM 0 HB THR A 35 -8.874 -5.722 -3.317 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.384 -7.224 -2.132 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.271 -6.746 -1.154 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.767 -5.040 -1.190 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.227 -5.518 -0.292 1.00 0.00 H new ATOM 569 N ALA A 36 -10.966 -2.759 -0.752 1.00 0.00 N ATOM 570 CA ALA A 36 -10.965 -1.977 0.472 1.00 0.00 C ATOM 571 C ALA A 36 -11.362 -2.873 1.646 1.00 0.00 C ATOM 572 O ALA A 36 -12.141 -3.811 1.481 1.00 0.00 O ATOM 573 CB ALA A 36 -11.902 -0.778 0.313 1.00 0.00 C ATOM 0 H ALA A 36 -11.884 -2.880 -1.180 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.968 -1.588 0.676 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.901 -0.191 1.232 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.560 -0.157 -0.515 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -12.913 -1.131 0.109 1.00 0.00 H new ATOM 579 N ALA A 37 -10.808 -2.554 2.807 1.00 0.00 N ATOM 580 CA ALA A 37 -11.094 -3.319 4.009 1.00 0.00 C ATOM 581 C ALA A 37 -11.361 -2.358 5.169 1.00 0.00 C ATOM 582 O ALA A 37 -11.364 -1.142 4.984 1.00 0.00 O ATOM 583 CB ALA A 37 -9.931 -4.271 4.297 1.00 0.00 C ATOM 0 H ALA A 37 -10.162 -1.776 2.941 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.988 -3.928 3.873 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.145 -4.845 5.199 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.801 -4.952 3.456 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -9.017 -3.695 4.442 1.00 0.00 H new ATOM 589 N GLY A 38 -11.580 -2.939 6.339 1.00 0.00 N ATOM 590 CA GLY A 38 -11.847 -2.150 7.529 1.00 0.00 C ATOM 591 C GLY A 38 -10.654 -1.258 7.875 1.00 0.00 C ATOM 592 O GLY A 38 -10.789 -0.037 7.956 1.00 0.00 O ATOM 0 H GLY A 38 -11.578 -3.948 6.488 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.732 -1.534 7.370 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.066 -2.812 8.367 1.00 0.00 H new ATOM 596 N ASP A 39 -9.512 -1.900 8.070 1.00 0.00 N ATOM 597 CA ASP A 39 -8.296 -1.180 8.405 1.00 0.00 C ATOM 598 C ASP A 39 -7.149 -2.178 8.578 1.00 0.00 C ATOM 599 O ASP A 39 -7.374 -3.385 8.633 1.00 0.00 O ATOM 600 CB ASP A 39 -8.454 -0.411 9.718 1.00 0.00 C ATOM 601 CG ASP A 39 -9.582 -0.908 10.625 1.00 0.00 C ATOM 602 OD1 ASP A 39 -9.420 -2.017 11.178 1.00 0.00 O ATOM 603 OD2 ASP A 39 -10.582 -0.167 10.746 1.00 0.00 O ATOM 0 H ASP A 39 -9.403 -2.912 8.002 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.088 -0.477 7.598 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.515 -0.464 10.269 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.629 0.640 9.488 1.00 0.00 H new ATOM 608 N GLY A 40 -5.941 -1.636 8.658 1.00 0.00 N ATOM 609 CA GLY A 40 -4.759 -2.463 8.822 1.00 0.00 C ATOM 610 C GLY A 40 -5.060 -3.924 8.481 1.00 0.00 C ATOM 611 O GLY A 40 -5.312 -4.256 7.323 1.00 0.00 O ATOM 0 H GLY A 40 -5.757 -0.634 8.612 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.960 -2.093 8.179 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.401 -2.392 9.849 1.00 0.00 H new ATOM 615 N GLU A 41 -5.024 -4.758 9.510 1.00 0.00 N ATOM 616 CA GLU A 41 -5.290 -6.176 9.334 1.00 0.00 C ATOM 617 C GLU A 41 -6.599 -6.379 8.568 1.00 0.00 C ATOM 618 O GLU A 41 -6.630 -7.090 7.565 1.00 0.00 O ATOM 619 CB GLU A 41 -5.326 -6.898 10.682 1.00 0.00 C ATOM 620 CG GLU A 41 -6.659 -6.663 11.395 1.00 0.00 C ATOM 621 CD GLU A 41 -6.708 -7.412 12.728 1.00 0.00 C ATOM 622 OE1 GLU A 41 -5.788 -8.228 12.955 1.00 0.00 O ATOM 623 OE2 GLU A 41 -7.663 -7.151 13.491 1.00 0.00 O ATOM 0 H GLU A 41 -4.815 -4.479 10.469 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.478 -6.609 8.749 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.174 -7.967 10.530 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.507 -6.546 11.309 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.800 -5.596 11.568 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.479 -6.993 10.758 1.00 0.00 H new ATOM 630 N GLN A 42 -7.647 -5.742 9.069 1.00 0.00 N ATOM 631 CA GLN A 42 -8.954 -5.844 8.445 1.00 0.00 C ATOM 632 C GLN A 42 -8.814 -5.864 6.921 1.00 0.00 C ATOM 633 O GLN A 42 -9.646 -6.446 6.225 1.00 0.00 O ATOM 634 CB GLN A 42 -9.868 -4.703 8.897 1.00 0.00 C ATOM 635 CG GLN A 42 -10.955 -5.214 9.845 1.00 0.00 C ATOM 636 CD GLN A 42 -12.214 -5.613 9.073 1.00 0.00 C ATOM 637 OE1 GLN A 42 -12.173 -5.962 7.905 1.00 0.00 O ATOM 638 NE2 GLN A 42 -13.333 -5.541 9.789 1.00 0.00 N ATOM 0 H GLN A 42 -7.617 -5.153 9.901 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.414 -6.780 8.761 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.277 -3.935 9.396 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.329 -4.236 8.027 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -10.581 -6.071 10.405 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -11.200 -4.441 10.573 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.297 -5.241 10.763 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -14.227 -5.786 9.364 1.00 0.00 H new ATOM 647 N GLY A 43 -7.757 -5.221 6.447 1.00 0.00 N ATOM 648 CA GLY A 43 -7.499 -5.158 5.019 1.00 0.00 C ATOM 649 C GLY A 43 -6.286 -6.011 4.644 1.00 0.00 C ATOM 650 O GLY A 43 -6.326 -6.759 3.668 1.00 0.00 O ATOM 0 H GLY A 43 -7.070 -4.739 7.027 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.375 -5.505 4.472 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.327 -4.123 4.722 1.00 0.00 H new ATOM 654 N MET A 44 -5.234 -5.871 5.439 1.00 0.00 N ATOM 655 CA MET A 44 -4.012 -6.620 5.203 1.00 0.00 C ATOM 656 C MET A 44 -4.293 -8.123 5.141 1.00 0.00 C ATOM 657 O MET A 44 -3.873 -8.799 4.202 1.00 0.00 O ATOM 658 CB MET A 44 -3.012 -6.333 6.324 1.00 0.00 C ATOM 659 CG MET A 44 -2.156 -7.565 6.624 1.00 0.00 C ATOM 660 SD MET A 44 -0.925 -7.777 5.349 1.00 0.00 S ATOM 661 CE MET A 44 -1.422 -9.365 4.700 1.00 0.00 C ATOM 0 H MET A 44 -5.204 -5.250 6.247 1.00 0.00 H new ATOM 0 HA MET A 44 -3.596 -6.308 4.245 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.369 -5.500 6.038 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.547 -6.029 7.224 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.672 -7.454 7.594 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.787 -8.452 6.683 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.567 -10.041 4.697 1.00 0.00 H new ATOM 0 HE2 MET A 44 -2.212 -9.782 5.324 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.791 -9.243 3.682 1.00 0.00 H new ATOM 671 N LYS A 45 -5.001 -8.602 6.153 1.00 0.00 N ATOM 672 CA LYS A 45 -5.343 -10.012 6.225 1.00 0.00 C ATOM 673 C LYS A 45 -6.092 -10.417 4.955 1.00 0.00 C ATOM 674 O LYS A 45 -5.899 -11.517 4.440 1.00 0.00 O ATOM 675 CB LYS A 45 -6.111 -10.312 7.515 1.00 0.00 C ATOM 676 CG LYS A 45 -5.504 -9.562 8.702 1.00 0.00 C ATOM 677 CD LYS A 45 -5.273 -10.504 9.885 1.00 0.00 C ATOM 678 CE LYS A 45 -6.602 -10.946 10.500 1.00 0.00 C ATOM 679 NZ LYS A 45 -6.367 -11.855 11.644 1.00 0.00 N ATOM 0 H LYS A 45 -5.347 -8.039 6.930 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.440 -10.621 6.270 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.156 -10.026 7.395 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.095 -11.384 7.711 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.559 -9.107 8.405 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.168 -8.751 9.002 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.712 -11.378 9.554 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.667 -10.004 10.640 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.164 -10.073 10.831 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.209 -11.449 9.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.279 -12.145 12.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.849 -12.696 11.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.807 -11.363 12.369 1.00 0.00 H new ATOM 693 N ILE A 46 -6.932 -9.506 4.485 1.00 0.00 N ATOM 694 CA ILE A 46 -7.712 -9.755 3.285 1.00 0.00 C ATOM 695 C ILE A 46 -6.765 -10.031 2.116 1.00 0.00 C ATOM 696 O ILE A 46 -6.992 -10.952 1.332 1.00 0.00 O ATOM 697 CB ILE A 46 -8.684 -8.601 3.029 1.00 0.00 C ATOM 698 CG1 ILE A 46 -10.050 -8.887 3.656 1.00 0.00 C ATOM 699 CG2 ILE A 46 -8.792 -8.297 1.533 1.00 0.00 C ATOM 700 CD1 ILE A 46 -9.897 -9.537 5.032 1.00 0.00 C ATOM 0 H ILE A 46 -7.089 -8.594 4.914 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.332 -10.642 3.411 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.289 -7.707 3.511 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.613 -7.958 3.749 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.624 -9.543 3.002 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.489 -7.473 1.379 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.811 -8.020 1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.153 -9.181 1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -10.883 -9.730 5.455 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -9.355 -10.477 4.932 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -9.344 -8.868 5.691 1.00 0.00 H new ATOM 712 N MET A 47 -5.722 -9.218 2.035 1.00 0.00 N ATOM 713 CA MET A 47 -4.739 -9.363 0.974 1.00 0.00 C ATOM 714 C MET A 47 -3.943 -10.659 1.139 1.00 0.00 C ATOM 715 O MET A 47 -3.533 -11.270 0.153 1.00 0.00 O ATOM 716 CB MET A 47 -3.782 -8.170 0.997 1.00 0.00 C ATOM 717 CG MET A 47 -4.454 -6.918 0.426 1.00 0.00 C ATOM 718 SD MET A 47 -4.503 -7.012 -1.355 1.00 0.00 S ATOM 719 CE MET A 47 -2.915 -6.300 -1.748 1.00 0.00 C ATOM 0 H MET A 47 -5.536 -8.456 2.687 1.00 0.00 H new ATOM 0 HA MET A 47 -5.265 -9.399 0.020 1.00 0.00 H new ATOM 0 HB2 MET A 47 -3.458 -7.979 2.020 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.889 -8.404 0.418 1.00 0.00 H new ATOM 0 HG2 MET A 47 -5.465 -6.825 0.822 1.00 0.00 H new ATOM 0 HG3 MET A 47 -3.907 -6.028 0.737 1.00 0.00 H new ATOM 0 HE1 MET A 47 -2.591 -6.651 -2.728 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.997 -5.213 -1.761 1.00 0.00 H new ATOM 0 HE3 MET A 47 -2.185 -6.600 -0.996 1.00 0.00 H new ATOM 729 N ALA A 48 -3.748 -11.042 2.393 1.00 0.00 N ATOM 730 CA ALA A 48 -3.009 -12.254 2.700 1.00 0.00 C ATOM 731 C ALA A 48 -3.755 -13.461 2.125 1.00 0.00 C ATOM 732 O ALA A 48 -3.155 -14.311 1.470 1.00 0.00 O ATOM 733 CB ALA A 48 -2.806 -12.360 4.212 1.00 0.00 C ATOM 0 H ALA A 48 -4.090 -10.533 3.208 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.021 -12.227 2.240 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.251 -13.270 4.442 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.246 -11.494 4.565 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.776 -12.391 4.708 1.00 0.00 H new ATOM 739 N GLN A 49 -5.052 -13.497 2.393 1.00 0.00 N ATOM 740 CA GLN A 49 -5.886 -14.585 1.911 1.00 0.00 C ATOM 741 C GLN A 49 -5.914 -14.594 0.382 1.00 0.00 C ATOM 742 O GLN A 49 -5.462 -15.552 -0.245 1.00 0.00 O ATOM 743 CB GLN A 49 -7.301 -14.486 2.486 1.00 0.00 C ATOM 744 CG GLN A 49 -7.264 -14.279 4.002 1.00 0.00 C ATOM 745 CD GLN A 49 -7.615 -15.573 4.740 1.00 0.00 C ATOM 746 OE1 GLN A 49 -7.603 -16.658 4.185 1.00 0.00 O ATOM 747 NE2 GLN A 49 -7.928 -15.397 6.020 1.00 0.00 N ATOM 0 H GLN A 49 -5.546 -12.790 2.938 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.456 -15.527 2.252 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.832 -13.658 2.015 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.856 -15.394 2.253 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.272 -13.942 4.303 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.966 -13.494 4.283 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.918 -14.460 6.423 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.178 -16.199 6.599 1.00 0.00 H new ATOM 756 N ASN A 50 -6.449 -13.517 -0.175 1.00 0.00 N ATOM 757 CA ASN A 50 -6.543 -13.390 -1.619 1.00 0.00 C ATOM 758 C ASN A 50 -5.192 -12.935 -2.175 1.00 0.00 C ATOM 759 O ASN A 50 -4.217 -12.823 -1.434 1.00 0.00 O ATOM 760 CB ASN A 50 -7.591 -12.349 -2.014 1.00 0.00 C ATOM 761 CG ASN A 50 -8.547 -12.067 -0.853 1.00 0.00 C ATOM 762 OD1 ASN A 50 -8.856 -12.926 -0.045 1.00 0.00 O ATOM 763 ND2 ASN A 50 -8.997 -10.816 -0.815 1.00 0.00 N ATOM 0 H ASN A 50 -6.822 -12.725 0.348 1.00 0.00 H new ATOM 0 HA ASN A 50 -6.829 -14.360 -2.025 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.096 -11.426 -2.315 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.155 -12.704 -2.876 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.640 -10.528 -0.078 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.699 -10.145 -1.523 1.00 0.00 H new ATOM 770 N PRO A 51 -5.177 -12.678 -3.510 1.00 0.00 N ATOM 771 CA PRO A 51 -3.962 -12.236 -4.174 1.00 0.00 C ATOM 772 C PRO A 51 -3.663 -10.771 -3.853 1.00 0.00 C ATOM 773 O PRO A 51 -4.577 -9.952 -3.760 1.00 0.00 O ATOM 774 CB PRO A 51 -4.211 -12.482 -5.654 1.00 0.00 C ATOM 775 CG PRO A 51 -5.717 -12.614 -5.806 1.00 0.00 C ATOM 776 CD PRO A 51 -6.312 -12.798 -4.421 1.00 0.00 C ATOM 0 HA PRO A 51 -3.078 -12.777 -3.837 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -3.828 -11.658 -6.257 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.704 -13.386 -5.991 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.131 -11.727 -6.284 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.963 -13.464 -6.443 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.069 -12.042 -4.212 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.796 -13.770 -4.324 1.00 0.00 H new ATOM 784 N HIS A 52 -2.379 -10.483 -3.692 1.00 0.00 N ATOM 785 CA HIS A 52 -1.948 -9.131 -3.384 1.00 0.00 C ATOM 786 C HIS A 52 -0.679 -8.804 -4.174 1.00 0.00 C ATOM 787 O HIS A 52 0.237 -9.621 -4.250 1.00 0.00 O ATOM 788 CB HIS A 52 -1.771 -8.948 -1.875 1.00 0.00 C ATOM 789 CG HIS A 52 -1.037 -10.082 -1.201 1.00 0.00 C ATOM 790 ND1 HIS A 52 -1.087 -10.299 0.165 1.00 0.00 N ATOM 791 CD2 HIS A 52 -0.237 -11.058 -1.718 1.00 0.00 C ATOM 792 CE1 HIS A 52 -0.345 -11.361 0.446 1.00 0.00 C ATOM 793 NE2 HIS A 52 0.181 -11.829 -0.721 1.00 0.00 N ATOM 0 H HIS A 52 -1.624 -11.164 -3.769 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.717 -8.422 -3.690 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.230 -8.019 -1.693 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.753 -8.840 -1.415 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -1.606 -9.738 0.840 1.00 0.00 H new ATOM 0 HD2 HIS A 52 0.014 -11.183 -2.761 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.185 -11.782 1.428 1.00 0.00 H new ATOM 802 N HIS A 53 -0.665 -7.607 -4.742 1.00 0.00 N ATOM 803 CA HIS A 53 0.476 -7.162 -5.523 1.00 0.00 C ATOM 804 C HIS A 53 0.878 -5.751 -5.086 1.00 0.00 C ATOM 805 O HIS A 53 2.055 -5.398 -5.124 1.00 0.00 O ATOM 806 CB HIS A 53 0.181 -7.258 -7.021 1.00 0.00 C ATOM 807 CG HIS A 53 1.286 -7.897 -7.825 1.00 0.00 C ATOM 808 ND1 HIS A 53 1.044 -8.768 -8.873 1.00 0.00 N ATOM 809 CD2 HIS A 53 2.641 -7.781 -7.726 1.00 0.00 C ATOM 810 CE1 HIS A 53 2.209 -9.154 -9.374 1.00 0.00 C ATOM 811 NE2 HIS A 53 3.197 -8.542 -8.661 1.00 0.00 N ATOM 0 H HIS A 53 -1.426 -6.931 -4.677 1.00 0.00 H new ATOM 0 HA HIS A 53 1.326 -7.818 -5.338 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.736 -7.830 -7.164 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.004 -6.256 -7.409 1.00 0.00 H new ATOM 0 HD2 HIS A 53 3.172 -7.173 -7.008 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.351 -9.834 -10.201 1.00 0.00 H new ATOM 0 HE2 HIS A 53 4.199 -8.651 -8.820 1.00 0.00 H new ATOM 820 N LEU A 54 -0.124 -4.984 -4.683 1.00 0.00 N ATOM 821 CA LEU A 54 0.110 -3.620 -4.240 1.00 0.00 C ATOM 822 C LEU A 54 -0.842 -3.293 -3.088 1.00 0.00 C ATOM 823 O LEU A 54 -2.059 -3.330 -3.254 1.00 0.00 O ATOM 824 CB LEU A 54 0.007 -2.649 -5.418 1.00 0.00 C ATOM 825 CG LEU A 54 -0.427 -3.258 -6.753 1.00 0.00 C ATOM 826 CD1 LEU A 54 -1.665 -4.138 -6.577 1.00 0.00 C ATOM 827 CD2 LEU A 54 -0.642 -2.171 -7.808 1.00 0.00 C ATOM 0 H LEU A 54 -1.099 -5.281 -4.654 1.00 0.00 H new ATOM 0 HA LEU A 54 1.125 -3.512 -3.856 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.699 -1.862 -5.154 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.978 -2.173 -5.557 1.00 0.00 H new ATOM 0 HG LEU A 54 0.377 -3.901 -7.112 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.953 -4.558 -7.541 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.441 -4.946 -5.881 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.485 -3.538 -6.184 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.950 -2.631 -8.747 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.417 -1.484 -7.469 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.288 -1.623 -7.960 1.00 0.00 H new ATOM 839 N VAL A 55 -0.249 -2.978 -1.945 1.00 0.00 N ATOM 840 CA VAL A 55 -1.029 -2.644 -0.765 1.00 0.00 C ATOM 841 C VAL A 55 -0.971 -1.133 -0.533 1.00 0.00 C ATOM 842 O VAL A 55 0.094 -0.526 -0.634 1.00 0.00 O ATOM 843 CB VAL A 55 -0.535 -3.453 0.435 1.00 0.00 C ATOM 844 CG1 VAL A 55 -0.846 -2.732 1.748 1.00 0.00 C ATOM 845 CG2 VAL A 55 -1.130 -4.862 0.429 1.00 0.00 C ATOM 0 H VAL A 55 0.762 -2.947 -1.811 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.076 -2.911 -0.910 1.00 0.00 H new ATOM 0 HB VAL A 55 0.548 -3.547 0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.484 -3.329 2.585 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.353 -1.760 1.755 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.923 -2.593 1.840 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.762 -5.416 1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.217 -4.798 0.475 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.835 -5.378 -0.485 1.00 0.00 H new ATOM 855 N ILE A 56 -2.130 -0.569 -0.224 1.00 0.00 N ATOM 856 CA ILE A 56 -2.225 0.859 0.025 1.00 0.00 C ATOM 857 C ILE A 56 -3.161 1.106 1.210 1.00 0.00 C ATOM 858 O ILE A 56 -4.340 0.762 1.155 1.00 0.00 O ATOM 859 CB ILE A 56 -2.637 1.598 -1.249 1.00 0.00 C ATOM 860 CG1 ILE A 56 -3.762 0.856 -1.974 1.00 0.00 C ATOM 861 CG2 ILE A 56 -1.431 1.839 -2.159 1.00 0.00 C ATOM 862 CD1 ILE A 56 -3.231 -0.400 -2.669 1.00 0.00 C ATOM 0 H ILE A 56 -3.011 -1.076 -0.141 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.251 1.263 0.300 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.026 2.576 -0.965 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.539 0.581 -1.261 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.223 1.516 -2.709 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.753 2.366 -3.057 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.691 2.440 -1.631 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.989 0.883 -2.438 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.050 -0.909 -3.177 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.471 -0.119 -3.398 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.793 -1.068 -1.928 1.00 0.00 H new ATOM 874 N SER A 57 -2.600 1.699 2.252 1.00 0.00 N ATOM 875 CA SER A 57 -3.369 1.996 3.448 1.00 0.00 C ATOM 876 C SER A 57 -2.939 3.345 4.028 1.00 0.00 C ATOM 877 O SER A 57 -2.104 4.036 3.445 1.00 0.00 O ATOM 878 CB SER A 57 -3.207 0.892 4.496 1.00 0.00 C ATOM 879 OG SER A 57 -3.442 1.372 5.817 1.00 0.00 O ATOM 0 H SER A 57 -1.621 1.982 2.293 1.00 0.00 H new ATOM 0 HA SER A 57 -4.422 2.047 3.172 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.900 0.079 4.277 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.201 0.478 4.434 1.00 0.00 H new ATOM 0 HG SER A 57 -4.402 1.343 6.010 1.00 0.00 H new ATOM 885 N ASP A 58 -3.528 3.680 5.166 1.00 0.00 N ATOM 886 CA ASP A 58 -3.215 4.934 5.830 1.00 0.00 C ATOM 887 C ASP A 58 -1.934 4.767 6.648 1.00 0.00 C ATOM 888 O ASP A 58 -1.501 3.646 6.910 1.00 0.00 O ATOM 889 CB ASP A 58 -4.336 5.346 6.786 1.00 0.00 C ATOM 890 CG ASP A 58 -4.783 4.257 7.764 1.00 0.00 C ATOM 891 OD1 ASP A 58 -4.377 3.095 7.546 1.00 0.00 O ATOM 892 OD2 ASP A 58 -5.522 4.611 8.709 1.00 0.00 O ATOM 0 H ASP A 58 -4.221 3.105 5.645 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.095 5.700 5.064 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.006 6.213 7.357 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.198 5.661 6.198 1.00 0.00 H new ATOM 897 N PHE A 59 -1.361 5.900 7.029 1.00 0.00 N ATOM 898 CA PHE A 59 -0.137 5.893 7.813 1.00 0.00 C ATOM 899 C PHE A 59 -0.435 5.649 9.293 1.00 0.00 C ATOM 900 O PHE A 59 0.470 5.348 10.071 1.00 0.00 O ATOM 901 CB PHE A 59 0.502 7.275 7.655 1.00 0.00 C ATOM 902 CG PHE A 59 1.883 7.249 6.996 1.00 0.00 C ATOM 903 CD1 PHE A 59 2.751 6.241 7.274 1.00 0.00 C ATOM 904 CD2 PHE A 59 2.241 8.237 6.131 1.00 0.00 C ATOM 905 CE1 PHE A 59 4.032 6.217 6.661 1.00 0.00 C ATOM 906 CE2 PHE A 59 3.523 8.214 5.520 1.00 0.00 C ATOM 907 CZ PHE A 59 4.391 7.204 5.797 1.00 0.00 C ATOM 0 H PHE A 59 -1.722 6.829 6.809 1.00 0.00 H new ATOM 0 HA PHE A 59 0.522 5.097 7.467 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.161 7.905 7.062 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.588 7.739 8.638 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.467 5.458 7.961 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.551 9.038 5.909 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.721 5.415 6.881 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.809 8.999 4.835 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.365 7.186 5.331 1.00 0.00 H new ATOM 917 N ASN A 60 -1.707 5.787 9.639 1.00 0.00 N ATOM 918 CA ASN A 60 -2.135 5.584 11.013 1.00 0.00 C ATOM 919 C ASN A 60 -1.477 4.319 11.566 1.00 0.00 C ATOM 920 O ASN A 60 -0.778 3.611 10.843 1.00 0.00 O ATOM 921 CB ASN A 60 -3.652 5.403 11.095 1.00 0.00 C ATOM 922 CG ASN A 60 -4.370 6.752 11.021 1.00 0.00 C ATOM 923 OD1 ASN A 60 -4.103 7.668 11.781 1.00 0.00 O ATOM 924 ND2 ASN A 60 -5.293 6.822 10.067 1.00 0.00 N ATOM 0 H ASN A 60 -2.455 6.037 8.992 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.844 6.462 11.590 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.990 4.762 10.281 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.912 4.899 12.026 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.828 7.681 9.937 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.466 6.017 9.465 1.00 0.00 H new ATOM 931 N MET A 61 -1.723 4.074 12.845 1.00 0.00 N ATOM 932 CA MET A 61 -1.162 2.906 13.504 1.00 0.00 C ATOM 933 C MET A 61 -2.248 1.868 13.796 1.00 0.00 C ATOM 934 O MET A 61 -2.578 1.618 14.954 1.00 0.00 O ATOM 935 CB MET A 61 -0.496 3.329 14.814 1.00 0.00 C ATOM 936 CG MET A 61 -1.541 3.747 15.851 1.00 0.00 C ATOM 937 SD MET A 61 -0.948 5.149 16.784 1.00 0.00 S ATOM 938 CE MET A 61 -2.309 5.362 17.920 1.00 0.00 C ATOM 0 H MET A 61 -2.303 4.664 13.442 1.00 0.00 H new ATOM 0 HA MET A 61 -0.424 2.457 12.840 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.100 2.505 15.205 1.00 0.00 H new ATOM 0 HB3 MET A 61 0.188 4.157 14.628 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.478 4.000 15.354 1.00 0.00 H new ATOM 0 HG3 MET A 61 -1.752 2.915 16.523 1.00 0.00 H new ATOM 0 HE1 MET A 61 -2.102 6.203 18.582 1.00 0.00 H new ATOM 0 HE2 MET A 61 -3.223 5.557 17.360 1.00 0.00 H new ATOM 0 HE3 MET A 61 -2.433 4.456 18.513 1.00 0.00 H new ATOM 948 N PRO A 62 -2.787 1.275 12.696 1.00 0.00 N ATOM 949 CA PRO A 62 -3.828 0.269 12.823 1.00 0.00 C ATOM 950 C PRO A 62 -3.248 -1.063 13.300 1.00 0.00 C ATOM 951 O PRO A 62 -2.162 -1.102 13.874 1.00 0.00 O ATOM 952 CB PRO A 62 -4.461 0.183 11.443 1.00 0.00 C ATOM 953 CG PRO A 62 -3.455 0.797 10.484 1.00 0.00 C ATOM 954 CD PRO A 62 -2.421 1.546 11.308 1.00 0.00 C ATOM 0 HA PRO A 62 -4.575 0.528 13.574 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.675 -0.852 11.175 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.408 0.722 11.413 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.977 0.022 9.885 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -3.953 1.474 9.790 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -1.412 1.197 11.089 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.442 2.615 11.094 1.00 0.00 H new ATOM 962 N LYS A 63 -3.999 -2.124 13.042 1.00 0.00 N ATOM 963 CA LYS A 63 -3.573 -3.456 13.438 1.00 0.00 C ATOM 964 C LYS A 63 -2.250 -3.790 12.746 1.00 0.00 C ATOM 965 O LYS A 63 -1.394 -4.457 13.324 1.00 0.00 O ATOM 966 CB LYS A 63 -4.682 -4.475 13.170 1.00 0.00 C ATOM 967 CG LYS A 63 -5.633 -4.577 14.364 1.00 0.00 C ATOM 968 CD LYS A 63 -5.350 -5.837 15.185 1.00 0.00 C ATOM 969 CE LYS A 63 -3.872 -6.226 15.098 1.00 0.00 C ATOM 970 NZ LYS A 63 -3.433 -6.874 16.355 1.00 0.00 N ATOM 0 H LYS A 63 -4.899 -2.088 12.564 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.390 -3.494 14.512 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.240 -4.185 12.280 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.242 -5.451 12.966 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.525 -3.695 14.996 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.664 -4.592 14.012 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.625 -5.667 16.226 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.968 -6.658 14.823 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.717 -6.904 14.259 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.267 -5.340 14.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.428 -7.132 16.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.563 -6.215 17.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.999 -7.731 16.520 1.00 0.00 H new ATOM 984 N MET A 64 -2.125 -3.312 11.517 1.00 0.00 N ATOM 985 CA MET A 64 -0.921 -3.551 10.739 1.00 0.00 C ATOM 986 C MET A 64 -0.604 -2.358 9.836 1.00 0.00 C ATOM 987 O MET A 64 -1.417 -1.980 8.994 1.00 0.00 O ATOM 988 CB MET A 64 -1.107 -4.805 9.882 1.00 0.00 C ATOM 989 CG MET A 64 -1.718 -5.943 10.701 1.00 0.00 C ATOM 990 SD MET A 64 -1.105 -7.514 10.116 1.00 0.00 S ATOM 991 CE MET A 64 -0.071 -7.977 11.496 1.00 0.00 C ATOM 0 H MET A 64 -2.838 -2.760 11.040 1.00 0.00 H new ATOM 0 HA MET A 64 -0.088 -3.691 11.428 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.751 -4.577 9.033 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.145 -5.119 9.477 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.471 -5.817 11.755 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.805 -5.915 10.623 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.393 -8.943 11.295 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.704 -7.224 11.638 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.678 -8.047 12.398 1.00 0.00 H new ATOM 1001 N ASP A 65 0.578 -1.797 10.043 1.00 0.00 N ATOM 1002 CA ASP A 65 1.013 -0.654 9.258 1.00 0.00 C ATOM 1003 C ASP A 65 2.352 -0.976 8.593 1.00 0.00 C ATOM 1004 O ASP A 65 2.970 -1.995 8.896 1.00 0.00 O ATOM 1005 CB ASP A 65 1.208 0.579 10.142 1.00 0.00 C ATOM 1006 CG ASP A 65 1.183 1.916 9.401 1.00 0.00 C ATOM 1007 OD1 ASP A 65 0.130 2.211 8.795 1.00 0.00 O ATOM 1008 OD2 ASP A 65 2.219 2.615 9.455 1.00 0.00 O ATOM 0 H ASP A 65 1.249 -2.113 10.744 1.00 0.00 H new ATOM 0 HA ASP A 65 0.245 -0.446 8.513 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.428 0.588 10.904 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.161 0.487 10.663 1.00 0.00 H new ATOM 1013 N GLY A 66 2.761 -0.089 7.699 1.00 0.00 N ATOM 1014 CA GLY A 66 4.016 -0.266 6.988 1.00 0.00 C ATOM 1015 C GLY A 66 5.014 -1.064 7.829 1.00 0.00 C ATOM 1016 O GLY A 66 5.781 -1.864 7.296 1.00 0.00 O ATOM 0 H GLY A 66 2.245 0.755 7.450 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.834 -0.782 6.045 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.439 0.708 6.742 1.00 0.00 H new ATOM 1020 N LEU A 67 4.973 -0.818 9.130 1.00 0.00 N ATOM 1021 CA LEU A 67 5.864 -1.503 10.051 1.00 0.00 C ATOM 1022 C LEU A 67 5.415 -2.958 10.200 1.00 0.00 C ATOM 1023 O LEU A 67 6.139 -3.877 9.821 1.00 0.00 O ATOM 1024 CB LEU A 67 5.949 -0.746 11.378 1.00 0.00 C ATOM 1025 CG LEU A 67 6.466 0.691 11.298 1.00 0.00 C ATOM 1026 CD1 LEU A 67 7.910 0.728 10.793 1.00 0.00 C ATOM 1027 CD2 LEU A 67 5.538 1.561 10.447 1.00 0.00 C ATOM 0 H LEU A 67 4.336 -0.153 9.569 1.00 0.00 H new ATOM 0 HA LEU A 67 6.880 -1.521 9.656 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.957 -0.729 11.828 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.596 -1.307 12.053 1.00 0.00 H new ATOM 0 HG LEU A 67 6.467 1.110 12.304 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.253 1.762 10.746 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.548 0.165 11.474 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.959 0.284 9.799 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.928 2.578 10.406 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.481 1.153 9.438 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.542 1.572 10.890 1.00 0.00 H new ATOM 1039 N GLY A 68 4.223 -3.123 10.754 1.00 0.00 N ATOM 1040 CA GLY A 68 3.668 -4.450 10.958 1.00 0.00 C ATOM 1041 C GLY A 68 3.489 -5.180 9.626 1.00 0.00 C ATOM 1042 O GLY A 68 3.743 -6.380 9.533 1.00 0.00 O ATOM 0 H GLY A 68 3.625 -2.358 11.068 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.326 -5.027 11.608 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.707 -4.372 11.466 1.00 0.00 H new ATOM 1046 N LEU A 69 3.054 -4.426 8.628 1.00 0.00 N ATOM 1047 CA LEU A 69 2.837 -4.986 7.305 1.00 0.00 C ATOM 1048 C LEU A 69 4.133 -5.635 6.812 1.00 0.00 C ATOM 1049 O LEU A 69 4.122 -6.772 6.342 1.00 0.00 O ATOM 1050 CB LEU A 69 2.284 -3.921 6.356 1.00 0.00 C ATOM 1051 CG LEU A 69 0.851 -4.140 5.866 1.00 0.00 C ATOM 1052 CD1 LEU A 69 -0.125 -4.213 7.042 1.00 0.00 C ATOM 1053 CD2 LEU A 69 0.449 -3.066 4.852 1.00 0.00 C ATOM 0 H LEU A 69 2.846 -3.431 8.709 1.00 0.00 H new ATOM 0 HA LEU A 69 2.081 -5.770 7.343 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.332 -2.955 6.858 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.939 -3.861 5.487 1.00 0.00 H new ATOM 0 HG LEU A 69 0.808 -5.100 5.352 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.136 -4.369 6.666 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.152 -5.042 7.694 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.087 -3.280 7.605 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.574 -3.244 4.519 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.513 -2.083 5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.121 -3.105 3.995 1.00 0.00 H new ATOM 1065 N LEU A 70 5.218 -4.886 6.939 1.00 0.00 N ATOM 1066 CA LEU A 70 6.518 -5.374 6.513 1.00 0.00 C ATOM 1067 C LEU A 70 6.824 -6.690 7.229 1.00 0.00 C ATOM 1068 O LEU A 70 6.833 -7.751 6.608 1.00 0.00 O ATOM 1069 CB LEU A 70 7.588 -4.299 6.719 1.00 0.00 C ATOM 1070 CG LEU A 70 8.985 -4.632 6.190 1.00 0.00 C ATOM 1071 CD1 LEU A 70 10.011 -3.602 6.665 1.00 0.00 C ATOM 1072 CD2 LEU A 70 9.388 -6.059 6.567 1.00 0.00 C ATOM 0 H LEU A 70 5.223 -3.944 7.331 1.00 0.00 H new ATOM 0 HA LEU A 70 6.513 -5.586 5.444 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.249 -3.381 6.239 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.665 -4.091 7.786 1.00 0.00 H new ATOM 0 HG LEU A 70 8.959 -4.582 5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.995 -3.862 6.275 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.728 -2.613 6.304 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.043 -3.596 7.755 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.385 -6.270 6.179 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.392 -6.161 7.652 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.675 -6.764 6.139 1.00 0.00 H new ATOM 1084 N GLN A 71 7.066 -6.578 8.528 1.00 0.00 N ATOM 1085 CA GLN A 71 7.371 -7.747 9.335 1.00 0.00 C ATOM 1086 C GLN A 71 6.423 -8.896 8.985 1.00 0.00 C ATOM 1087 O GLN A 71 6.806 -10.063 9.052 1.00 0.00 O ATOM 1088 CB GLN A 71 7.304 -7.415 10.827 1.00 0.00 C ATOM 1089 CG GLN A 71 8.131 -6.169 11.150 1.00 0.00 C ATOM 1090 CD GLN A 71 8.705 -6.245 12.567 1.00 0.00 C ATOM 1091 OE1 GLN A 71 9.346 -7.208 12.954 1.00 0.00 O ATOM 1092 NE2 GLN A 71 8.440 -5.178 13.315 1.00 0.00 N ATOM 0 H GLN A 71 7.057 -5.696 9.040 1.00 0.00 H new ATOM 0 HA GLN A 71 8.390 -8.063 9.112 1.00 0.00 H new ATOM 0 HB2 GLN A 71 6.267 -7.253 11.121 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.672 -8.261 11.408 1.00 0.00 H new ATOM 0 HG2 GLN A 71 8.943 -6.070 10.430 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.508 -5.280 11.053 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.897 -4.406 12.928 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.780 -5.132 14.276 1.00 0.00 H new ATOM 1101 N ALA A 72 5.205 -8.525 8.620 1.00 0.00 N ATOM 1102 CA ALA A 72 4.199 -9.510 8.260 1.00 0.00 C ATOM 1103 C ALA A 72 4.638 -10.239 6.987 1.00 0.00 C ATOM 1104 O ALA A 72 4.629 -11.468 6.938 1.00 0.00 O ATOM 1105 CB ALA A 72 2.843 -8.821 8.098 1.00 0.00 C ATOM 0 H ALA A 72 4.892 -7.556 8.566 1.00 0.00 H new ATOM 0 HA ALA A 72 4.093 -10.255 9.048 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.089 -9.560 7.828 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.563 -8.344 9.037 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.909 -8.067 7.313 1.00 0.00 H new ATOM 1111 N VAL A 73 5.012 -9.450 5.991 1.00 0.00 N ATOM 1112 CA VAL A 73 5.453 -10.004 4.723 1.00 0.00 C ATOM 1113 C VAL A 73 6.652 -10.924 4.963 1.00 0.00 C ATOM 1114 O VAL A 73 6.659 -12.069 4.515 1.00 0.00 O ATOM 1115 CB VAL A 73 5.754 -8.875 3.735 1.00 0.00 C ATOM 1116 CG1 VAL A 73 4.887 -7.649 4.023 1.00 0.00 C ATOM 1117 CG2 VAL A 73 7.240 -8.513 3.753 1.00 0.00 C ATOM 0 H VAL A 73 5.019 -8.431 6.037 1.00 0.00 H new ATOM 0 HA VAL A 73 4.664 -10.608 4.275 1.00 0.00 H new ATOM 0 HB VAL A 73 5.508 -9.231 2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.121 -6.862 3.307 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.835 -7.919 3.935 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.087 -7.291 5.033 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.427 -7.708 3.042 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.523 -8.186 4.754 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.831 -9.386 3.476 1.00 0.00 H new ATOM 1127 N ARG A 74 7.636 -10.388 5.668 1.00 0.00 N ATOM 1128 CA ARG A 74 8.838 -11.147 5.974 1.00 0.00 C ATOM 1129 C ARG A 74 8.482 -12.603 6.277 1.00 0.00 C ATOM 1130 O ARG A 74 9.280 -13.505 6.025 1.00 0.00 O ATOM 1131 CB ARG A 74 9.577 -10.549 7.173 1.00 0.00 C ATOM 1132 CG ARG A 74 9.925 -9.079 6.926 1.00 0.00 C ATOM 1133 CD ARG A 74 10.248 -8.833 5.451 1.00 0.00 C ATOM 1134 NE ARG A 74 11.420 -9.643 5.049 1.00 0.00 N ATOM 1135 CZ ARG A 74 11.807 -9.823 3.778 1.00 0.00 C ATOM 1136 NH1 ARG A 74 11.119 -9.253 2.780 1.00 0.00 N ATOM 1137 NH2 ARG A 74 12.884 -10.574 3.506 1.00 0.00 N ATOM 0 H ARG A 74 7.627 -9.437 6.037 1.00 0.00 H new ATOM 0 HA ARG A 74 9.490 -11.102 5.102 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.958 -10.635 8.066 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.489 -11.115 7.362 1.00 0.00 H new ATOM 0 HG2 ARG A 74 9.090 -8.448 7.229 1.00 0.00 H new ATOM 0 HG3 ARG A 74 10.779 -8.795 7.541 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.388 -9.091 4.834 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.453 -7.775 5.286 1.00 0.00 H new ATOM 0 HE ARG A 74 11.967 -10.092 5.784 1.00 0.00 H new ATOM 0 HH11 ARG A 74 10.300 -8.681 2.987 1.00 0.00 H new ATOM 0 HH12 ARG A 74 11.414 -9.391 1.813 1.00 0.00 H new ATOM 0 HH21 ARG A 74 13.408 -11.008 4.266 1.00 0.00 H new ATOM 0 HH22 ARG A 74 13.179 -10.711 2.539 1.00 0.00 H new ATOM 1151 N ALA A 75 7.286 -12.789 6.813 1.00 0.00 N ATOM 1152 CA ALA A 75 6.816 -14.120 7.153 1.00 0.00 C ATOM 1153 C ALA A 75 6.146 -14.748 5.928 1.00 0.00 C ATOM 1154 O ALA A 75 6.431 -15.894 5.580 1.00 0.00 O ATOM 1155 CB ALA A 75 5.872 -14.038 8.355 1.00 0.00 C ATOM 0 H ALA A 75 6.627 -12.039 7.021 1.00 0.00 H new ATOM 0 HA ALA A 75 7.651 -14.760 7.438 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.520 -15.038 8.610 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.403 -13.613 9.206 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.020 -13.405 8.106 1.00 0.00 H new ATOM 1161 N ASN A 76 5.270 -13.971 5.309 1.00 0.00 N ATOM 1162 CA ASN A 76 4.559 -14.437 4.131 1.00 0.00 C ATOM 1163 C ASN A 76 5.224 -13.863 2.878 1.00 0.00 C ATOM 1164 O ASN A 76 5.296 -12.646 2.712 1.00 0.00 O ATOM 1165 CB ASN A 76 3.102 -13.971 4.148 1.00 0.00 C ATOM 1166 CG ASN A 76 2.150 -15.154 4.346 1.00 0.00 C ATOM 1167 OD1 ASN A 76 2.228 -15.890 5.316 1.00 0.00 O ATOM 1168 ND2 ASN A 76 1.251 -15.293 3.376 1.00 0.00 N ATOM 0 H ASN A 76 5.036 -13.022 5.601 1.00 0.00 H new ATOM 0 HA ASN A 76 4.590 -15.527 4.128 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.958 -13.246 4.949 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.868 -13.464 3.212 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.571 -16.052 3.416 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.242 -14.641 2.592 1.00 0.00 H new ATOM 1175 N PRO A 77 5.706 -14.789 2.007 1.00 0.00 N ATOM 1176 CA PRO A 77 6.362 -14.388 0.775 1.00 0.00 C ATOM 1177 C PRO A 77 5.342 -13.898 -0.256 1.00 0.00 C ATOM 1178 O PRO A 77 5.709 -13.266 -1.245 1.00 0.00 O ATOM 1179 CB PRO A 77 7.125 -15.619 0.316 1.00 0.00 C ATOM 1180 CG PRO A 77 6.498 -16.795 1.049 1.00 0.00 C ATOM 1181 CD PRO A 77 5.637 -16.239 2.172 1.00 0.00 C ATOM 0 HA PRO A 77 7.039 -13.545 0.915 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.048 -15.746 -0.764 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.186 -15.532 0.552 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.895 -17.393 0.366 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.271 -17.451 1.450 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.610 -16.598 2.099 1.00 0.00 H new ATOM 0 HD3 PRO A 77 6.013 -16.545 3.148 1.00 0.00 H new ATOM 1189 N ALA A 78 4.083 -14.208 0.012 1.00 0.00 N ATOM 1190 CA ALA A 78 3.007 -13.807 -0.879 1.00 0.00 C ATOM 1191 C ALA A 78 2.942 -12.279 -0.938 1.00 0.00 C ATOM 1192 O ALA A 78 2.839 -11.700 -2.018 1.00 0.00 O ATOM 1193 CB ALA A 78 1.691 -14.428 -0.405 1.00 0.00 C ATOM 0 H ALA A 78 3.783 -14.732 0.834 1.00 0.00 H new ATOM 0 HA ALA A 78 3.192 -14.169 -1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.885 -14.127 -1.074 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.779 -15.514 -0.409 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.471 -14.086 0.606 1.00 0.00 H new ATOM 1199 N THR A 79 3.004 -11.670 0.237 1.00 0.00 N ATOM 1200 CA THR A 79 2.954 -10.222 0.333 1.00 0.00 C ATOM 1201 C THR A 79 4.365 -9.634 0.282 1.00 0.00 C ATOM 1202 O THR A 79 4.544 -8.469 -0.070 1.00 0.00 O ATOM 1203 CB THR A 79 2.190 -9.858 1.609 1.00 0.00 C ATOM 1204 OG1 THR A 79 2.716 -8.586 1.977 1.00 0.00 O ATOM 1205 CG2 THR A 79 2.551 -10.767 2.786 1.00 0.00 C ATOM 0 H THR A 79 3.088 -12.154 1.131 1.00 0.00 H new ATOM 0 HA THR A 79 2.425 -9.788 -0.515 1.00 0.00 H new ATOM 0 HB THR A 79 1.118 -9.917 1.421 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.087 -8.133 2.576 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.982 -10.466 3.666 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.312 -11.800 2.535 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.617 -10.683 2.997 1.00 0.00 H new ATOM 1213 N LYS A 80 5.332 -10.467 0.638 1.00 0.00 N ATOM 1214 CA LYS A 80 6.722 -10.045 0.637 1.00 0.00 C ATOM 1215 C LYS A 80 7.108 -9.581 -0.769 1.00 0.00 C ATOM 1216 O LYS A 80 8.073 -8.836 -0.937 1.00 0.00 O ATOM 1217 CB LYS A 80 7.620 -11.156 1.187 1.00 0.00 C ATOM 1218 CG LYS A 80 8.352 -11.881 0.055 1.00 0.00 C ATOM 1219 CD LYS A 80 9.551 -11.066 -0.432 1.00 0.00 C ATOM 1220 CE LYS A 80 9.510 -10.881 -1.950 1.00 0.00 C ATOM 1221 NZ LYS A 80 10.310 -11.930 -2.622 1.00 0.00 N ATOM 0 H LYS A 80 5.180 -11.433 0.929 1.00 0.00 H new ATOM 0 HA LYS A 80 6.863 -9.194 1.304 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.346 -10.732 1.881 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.018 -11.869 1.751 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.688 -12.858 0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.666 -12.056 -0.774 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.555 -10.092 0.056 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.476 -11.568 -0.148 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.478 -10.922 -2.300 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.896 -9.896 -2.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.271 -11.790 -3.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.298 -11.872 -2.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.924 -12.866 -2.386 1.00 0.00 H new ATOM 1235 N LYS A 81 6.337 -10.042 -1.743 1.00 0.00 N ATOM 1236 CA LYS A 81 6.586 -9.684 -3.128 1.00 0.00 C ATOM 1237 C LYS A 81 5.682 -8.513 -3.519 1.00 0.00 C ATOM 1238 O LYS A 81 5.805 -7.968 -4.615 1.00 0.00 O ATOM 1239 CB LYS A 81 6.433 -10.907 -4.034 1.00 0.00 C ATOM 1240 CG LYS A 81 4.975 -11.368 -4.090 1.00 0.00 C ATOM 1241 CD LYS A 81 4.757 -12.356 -5.239 1.00 0.00 C ATOM 1242 CE LYS A 81 3.551 -13.256 -4.966 1.00 0.00 C ATOM 1243 NZ LYS A 81 2.829 -13.552 -6.224 1.00 0.00 N ATOM 0 H LYS A 81 5.539 -10.661 -1.600 1.00 0.00 H new ATOM 0 HA LYS A 81 7.615 -9.349 -3.255 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.781 -10.666 -5.038 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.061 -11.718 -3.665 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.701 -11.837 -3.145 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.321 -10.505 -4.218 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.604 -11.809 -6.169 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.649 -12.968 -5.372 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.881 -14.185 -4.502 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.879 -12.769 -4.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.013 -14.164 -6.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.497 -12.664 -6.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.469 -14.037 -6.886 1.00 0.00 H new ATOM 1257 N ALA A 82 4.795 -8.160 -2.600 1.00 0.00 N ATOM 1258 CA ALA A 82 3.871 -7.064 -2.834 1.00 0.00 C ATOM 1259 C ALA A 82 4.389 -5.807 -2.132 1.00 0.00 C ATOM 1260 O ALA A 82 5.139 -5.898 -1.162 1.00 0.00 O ATOM 1261 CB ALA A 82 2.473 -7.464 -2.358 1.00 0.00 C ATOM 0 H ALA A 82 4.697 -8.614 -1.692 1.00 0.00 H new ATOM 0 HA ALA A 82 3.801 -6.842 -3.899 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.780 -6.641 -2.534 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.139 -8.344 -2.908 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.503 -7.692 -1.293 1.00 0.00 H new ATOM 1267 N ALA A 83 3.967 -4.662 -2.650 1.00 0.00 N ATOM 1268 CA ALA A 83 4.380 -3.389 -2.086 1.00 0.00 C ATOM 1269 C ALA A 83 3.291 -2.879 -1.141 1.00 0.00 C ATOM 1270 O ALA A 83 2.206 -3.455 -1.068 1.00 0.00 O ATOM 1271 CB ALA A 83 4.680 -2.403 -3.216 1.00 0.00 C ATOM 0 H ALA A 83 3.343 -4.590 -3.454 1.00 0.00 H new ATOM 0 HA ALA A 83 5.294 -3.505 -1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.990 -1.448 -2.793 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.480 -2.799 -3.842 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.784 -2.259 -3.820 1.00 0.00 H new ATOM 1277 N PHE A 84 3.617 -1.803 -0.439 1.00 0.00 N ATOM 1278 CA PHE A 84 2.680 -1.209 0.499 1.00 0.00 C ATOM 1279 C PHE A 84 2.872 0.306 0.580 1.00 0.00 C ATOM 1280 O PHE A 84 3.999 0.789 0.680 1.00 0.00 O ATOM 1281 CB PHE A 84 2.971 -1.822 1.871 1.00 0.00 C ATOM 1282 CG PHE A 84 3.870 -3.058 1.822 1.00 0.00 C ATOM 1283 CD1 PHE A 84 3.360 -4.256 1.427 1.00 0.00 C ATOM 1284 CD2 PHE A 84 5.180 -2.961 2.174 1.00 0.00 C ATOM 1285 CE1 PHE A 84 4.194 -5.403 1.381 1.00 0.00 C ATOM 1286 CE2 PHE A 84 6.015 -4.109 2.129 1.00 0.00 C ATOM 1287 CZ PHE A 84 5.505 -5.306 1.733 1.00 0.00 C ATOM 0 H PHE A 84 4.517 -1.327 -0.501 1.00 0.00 H new ATOM 0 HA PHE A 84 1.657 -1.402 0.176 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.442 -1.068 2.502 1.00 0.00 H new ATOM 0 HB3 PHE A 84 2.027 -2.091 2.345 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.320 -4.334 1.148 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.586 -2.011 2.488 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.788 -6.353 1.067 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.055 -4.031 2.409 1.00 0.00 H new ATOM 0 HZ PHE A 84 6.140 -6.179 1.698 1.00 0.00 H new ATOM 1297 N ILE A 85 1.754 1.016 0.533 1.00 0.00 N ATOM 1298 CA ILE A 85 1.784 2.467 0.600 1.00 0.00 C ATOM 1299 C ILE A 85 1.193 2.925 1.935 1.00 0.00 C ATOM 1300 O ILE A 85 0.129 2.460 2.339 1.00 0.00 O ATOM 1301 CB ILE A 85 1.088 3.074 -0.621 1.00 0.00 C ATOM 1302 CG1 ILE A 85 1.611 2.449 -1.916 1.00 0.00 C ATOM 1303 CG2 ILE A 85 1.220 4.598 -0.625 1.00 0.00 C ATOM 1304 CD1 ILE A 85 0.996 3.132 -3.140 1.00 0.00 C ATOM 0 H ILE A 85 0.821 0.613 0.449 1.00 0.00 H new ATOM 0 HA ILE A 85 2.812 2.828 0.566 1.00 0.00 H new ATOM 0 HB ILE A 85 0.024 2.844 -0.559 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.697 2.536 -1.954 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.376 1.385 -1.932 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.717 5.004 -1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.762 5.005 0.277 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.275 4.872 -0.652 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.384 2.670 -4.048 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.088 3.022 -3.111 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.254 4.191 -3.134 1.00 0.00 H new ATOM 1316 N ILE A 86 1.912 3.830 2.583 1.00 0.00 N ATOM 1317 CA ILE A 86 1.473 4.356 3.865 1.00 0.00 C ATOM 1318 C ILE A 86 1.450 5.885 3.803 1.00 0.00 C ATOM 1319 O ILE A 86 2.501 6.523 3.779 1.00 0.00 O ATOM 1320 CB ILE A 86 2.337 3.798 4.997 1.00 0.00 C ATOM 1321 CG1 ILE A 86 3.236 2.667 4.495 1.00 0.00 C ATOM 1322 CG2 ILE A 86 1.474 3.361 6.182 1.00 0.00 C ATOM 1323 CD1 ILE A 86 4.530 2.592 5.309 1.00 0.00 C ATOM 0 H ILE A 86 2.795 4.212 2.245 1.00 0.00 H new ATOM 0 HA ILE A 86 0.456 4.031 4.083 1.00 0.00 H new ATOM 0 HB ILE A 86 2.990 4.595 5.352 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.704 1.718 4.563 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.473 2.826 3.443 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.113 2.968 6.973 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.914 4.217 6.560 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.779 2.586 5.859 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.151 1.780 4.931 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.071 3.534 5.220 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.291 2.409 6.357 1.00 0.00 H new ATOM 1335 N LEU A 87 0.242 6.426 3.781 1.00 0.00 N ATOM 1336 CA LEU A 87 0.068 7.868 3.723 1.00 0.00 C ATOM 1337 C LEU A 87 -0.880 8.309 4.839 1.00 0.00 C ATOM 1338 O LEU A 87 -1.632 7.497 5.377 1.00 0.00 O ATOM 1339 CB LEU A 87 -0.383 8.297 2.325 1.00 0.00 C ATOM 1340 CG LEU A 87 -1.893 8.445 2.125 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -2.617 7.131 2.421 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -2.445 9.604 2.959 1.00 0.00 C ATOM 0 H LEU A 87 -0.627 5.892 3.802 1.00 0.00 H new ATOM 0 HA LEU A 87 1.018 8.374 3.895 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.090 9.250 2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.010 7.569 1.605 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.077 8.685 1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.688 7.264 2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.250 6.354 1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.429 6.837 3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.520 9.688 2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.249 9.418 4.015 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.960 10.532 2.658 1.00 0.00 H new ATOM 1354 N THR A 88 -0.815 9.594 5.154 1.00 0.00 N ATOM 1355 CA THR A 88 -1.659 10.153 6.197 1.00 0.00 C ATOM 1356 C THR A 88 -2.281 11.470 5.731 1.00 0.00 C ATOM 1357 O THR A 88 -1.963 11.962 4.649 1.00 0.00 O ATOM 1358 CB THR A 88 -0.814 10.295 7.465 1.00 0.00 C ATOM 1359 OG1 THR A 88 -1.542 11.223 8.265 1.00 0.00 O ATOM 1360 CG2 THR A 88 0.521 10.994 7.203 1.00 0.00 C ATOM 0 H THR A 88 -0.191 10.265 4.705 1.00 0.00 H new ATOM 0 HA THR A 88 -2.498 9.495 6.421 1.00 0.00 H new ATOM 0 HB THR A 88 -0.629 9.309 7.891 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.239 10.748 8.764 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.081 11.069 8.135 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.097 10.418 6.479 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.337 11.993 6.809 1.00 0.00 H new ATOM 1368 N ALA A 89 -3.157 12.004 6.569 1.00 0.00 N ATOM 1369 CA ALA A 89 -3.827 13.254 6.257 1.00 0.00 C ATOM 1370 C ALA A 89 -2.780 14.354 6.066 1.00 0.00 C ATOM 1371 O ALA A 89 -3.088 15.424 5.541 1.00 0.00 O ATOM 1372 CB ALA A 89 -4.828 13.588 7.363 1.00 0.00 C ATOM 0 H ALA A 89 -3.418 11.593 7.465 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.388 13.167 5.327 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.330 14.526 7.128 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.567 12.790 7.438 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.302 13.686 8.313 1.00 0.00 H new ATOM 1378 N GLN A 90 -1.566 14.054 6.502 1.00 0.00 N ATOM 1379 CA GLN A 90 -0.473 15.004 6.386 1.00 0.00 C ATOM 1380 C GLN A 90 0.604 14.461 5.445 1.00 0.00 C ATOM 1381 O GLN A 90 0.604 14.770 4.254 1.00 0.00 O ATOM 1382 CB GLN A 90 0.115 15.334 7.759 1.00 0.00 C ATOM 1383 CG GLN A 90 -0.799 16.284 8.534 1.00 0.00 C ATOM 1384 CD GLN A 90 -0.045 17.549 8.952 1.00 0.00 C ATOM 1385 OE1 GLN A 90 1.128 17.726 8.667 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -0.783 18.415 9.641 1.00 0.00 N ATOM 0 H GLN A 90 -1.315 13.166 6.936 1.00 0.00 H new ATOM 0 HA GLN A 90 -0.865 15.929 5.963 1.00 0.00 H new ATOM 0 HB2 GLN A 90 0.257 14.415 8.328 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.098 15.788 7.638 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.656 16.554 7.917 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.189 15.779 9.418 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.760 18.204 9.845 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.372 19.290 9.965 1.00 0.00 H new ATOM 1395 N GLY A 91 1.494 13.662 6.013 1.00 0.00 N ATOM 1396 CA GLY A 91 2.574 13.073 5.239 1.00 0.00 C ATOM 1397 C GLY A 91 3.766 12.729 6.134 1.00 0.00 C ATOM 1398 O GLY A 91 4.166 13.531 6.978 1.00 0.00 O ATOM 0 H GLY A 91 1.490 13.408 7.001 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.218 12.172 4.739 1.00 0.00 H new ATOM 0 HA3 GLY A 91 2.888 13.767 4.460 1.00 0.00 H new ATOM 1402 N ASP A 92 4.302 11.537 5.920 1.00 0.00 N ATOM 1403 CA ASP A 92 5.441 11.077 6.697 1.00 0.00 C ATOM 1404 C ASP A 92 6.397 10.308 5.785 1.00 0.00 C ATOM 1405 O ASP A 92 6.402 9.077 5.779 1.00 0.00 O ATOM 1406 CB ASP A 92 4.998 10.135 7.819 1.00 0.00 C ATOM 1407 CG ASP A 92 4.071 10.764 8.862 1.00 0.00 C ATOM 1408 OD1 ASP A 92 4.152 12.001 9.022 1.00 0.00 O ATOM 1409 OD2 ASP A 92 3.303 9.993 9.477 1.00 0.00 O ATOM 0 H ASP A 92 3.969 10.875 5.219 1.00 0.00 H new ATOM 0 HA ASP A 92 5.928 11.950 7.130 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.492 9.278 7.375 1.00 0.00 H new ATOM 0 HB3 ASP A 92 5.885 9.755 8.325 1.00 0.00 H new ATOM 1414 N ARG A 93 7.185 11.064 5.034 1.00 0.00 N ATOM 1415 CA ARG A 93 8.144 10.468 4.119 1.00 0.00 C ATOM 1416 C ARG A 93 9.113 9.562 4.882 1.00 0.00 C ATOM 1417 O ARG A 93 9.510 8.511 4.381 1.00 0.00 O ATOM 1418 CB ARG A 93 8.940 11.545 3.379 1.00 0.00 C ATOM 1419 CG ARG A 93 8.327 11.833 2.008 1.00 0.00 C ATOM 1420 CD ARG A 93 8.029 13.325 1.844 1.00 0.00 C ATOM 1421 NE ARG A 93 6.911 13.718 2.732 1.00 0.00 N ATOM 1422 CZ ARG A 93 6.564 14.987 2.986 1.00 0.00 C ATOM 1423 NH1 ARG A 93 7.246 15.994 2.422 1.00 0.00 N ATOM 1424 NH2 ARG A 93 5.537 15.249 3.805 1.00 0.00 N ATOM 0 H ARG A 93 7.179 12.084 5.041 1.00 0.00 H new ATOM 0 HA ARG A 93 7.587 9.879 3.391 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.960 12.459 3.972 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.974 11.220 3.259 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.010 11.507 1.224 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.408 11.259 1.889 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.917 13.910 2.083 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.774 13.542 0.807 1.00 0.00 H new ATOM 0 HE ARG A 93 6.371 12.976 3.178 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.029 15.794 1.800 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.982 16.960 2.615 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.019 14.483 4.235 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.273 16.215 3.999 1.00 0.00 H new ATOM 1438 N ALA A 94 9.463 10.001 6.082 1.00 0.00 N ATOM 1439 CA ALA A 94 10.377 9.242 6.919 1.00 0.00 C ATOM 1440 C ALA A 94 9.725 7.914 7.305 1.00 0.00 C ATOM 1441 O ALA A 94 10.383 6.874 7.315 1.00 0.00 O ATOM 1442 CB ALA A 94 10.765 10.078 8.139 1.00 0.00 C ATOM 0 H ALA A 94 9.130 10.872 6.495 1.00 0.00 H new ATOM 0 HA ALA A 94 11.294 9.013 6.376 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.451 9.509 8.767 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.251 10.997 7.811 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.870 10.325 8.710 1.00 0.00 H new ATOM 1448 N LEU A 95 8.438 7.990 7.612 1.00 0.00 N ATOM 1449 CA LEU A 95 7.689 6.806 7.998 1.00 0.00 C ATOM 1450 C LEU A 95 7.761 5.773 6.871 1.00 0.00 C ATOM 1451 O LEU A 95 8.039 4.601 7.116 1.00 0.00 O ATOM 1452 CB LEU A 95 6.261 7.182 8.398 1.00 0.00 C ATOM 1453 CG LEU A 95 6.096 7.811 9.784 1.00 0.00 C ATOM 1454 CD1 LEU A 95 5.753 6.749 10.830 1.00 0.00 C ATOM 1455 CD2 LEU A 95 7.338 8.617 10.171 1.00 0.00 C ATOM 0 H LEU A 95 7.895 8.853 7.601 1.00 0.00 H new ATOM 0 HA LEU A 95 8.132 6.346 8.882 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.868 7.877 7.656 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.644 6.285 8.352 1.00 0.00 H new ATOM 0 HG LEU A 95 5.259 8.508 9.746 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.641 7.222 11.806 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.820 6.257 10.556 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.553 6.010 10.875 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.195 9.053 11.160 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.208 7.960 10.187 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.497 9.412 9.443 1.00 0.00 H new ATOM 1467 N VAL A 96 7.503 6.247 5.661 1.00 0.00 N ATOM 1468 CA VAL A 96 7.535 5.379 4.496 1.00 0.00 C ATOM 1469 C VAL A 96 8.960 4.864 4.287 1.00 0.00 C ATOM 1470 O VAL A 96 9.196 3.656 4.300 1.00 0.00 O ATOM 1471 CB VAL A 96 6.983 6.120 3.277 1.00 0.00 C ATOM 1472 CG1 VAL A 96 7.774 5.767 2.015 1.00 0.00 C ATOM 1473 CG2 VAL A 96 5.492 5.831 3.087 1.00 0.00 C ATOM 0 H VAL A 96 7.271 7.220 5.462 1.00 0.00 H new ATOM 0 HA VAL A 96 6.895 4.510 4.650 1.00 0.00 H new ATOM 0 HB VAL A 96 7.097 7.189 3.456 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.361 6.307 1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 96 8.819 6.047 2.150 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.707 4.695 1.831 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.125 6.370 2.214 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.344 4.761 2.941 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.943 6.156 3.971 1.00 0.00 H new ATOM 1483 N GLN A 97 9.874 5.804 4.100 1.00 0.00 N ATOM 1484 CA GLN A 97 11.270 5.461 3.889 1.00 0.00 C ATOM 1485 C GLN A 97 11.755 4.512 4.988 1.00 0.00 C ATOM 1486 O GLN A 97 12.674 3.724 4.772 1.00 0.00 O ATOM 1487 CB GLN A 97 12.141 6.717 3.826 1.00 0.00 C ATOM 1488 CG GLN A 97 11.796 7.561 2.597 1.00 0.00 C ATOM 1489 CD GLN A 97 13.047 7.858 1.768 1.00 0.00 C ATOM 1490 OE1 GLN A 97 13.421 8.998 1.548 1.00 0.00 O ATOM 1491 NE2 GLN A 97 13.670 6.771 1.322 1.00 0.00 N ATOM 0 H GLN A 97 9.675 6.804 4.090 1.00 0.00 H new ATOM 0 HA GLN A 97 11.357 4.951 2.930 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.998 7.309 4.730 1.00 0.00 H new ATOM 0 HB3 GLN A 97 13.193 6.433 3.794 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.065 7.035 1.983 1.00 0.00 H new ATOM 0 HG3 GLN A 97 11.333 8.496 2.912 1.00 0.00 H new ATOM 0 HE21 GLN A 97 13.303 5.846 1.543 1.00 0.00 H new ATOM 0 HE22 GLN A 97 14.515 6.863 0.759 1.00 0.00 H new ATOM 1500 N LYS A 98 11.115 4.621 6.143 1.00 0.00 N ATOM 1501 CA LYS A 98 11.469 3.782 7.276 1.00 0.00 C ATOM 1502 C LYS A 98 11.040 2.341 6.994 1.00 0.00 C ATOM 1503 O LYS A 98 11.826 1.410 7.167 1.00 0.00 O ATOM 1504 CB LYS A 98 10.887 4.356 8.570 1.00 0.00 C ATOM 1505 CG LYS A 98 11.928 5.190 9.318 1.00 0.00 C ATOM 1506 CD LYS A 98 11.300 5.906 10.515 1.00 0.00 C ATOM 1507 CE LYS A 98 11.932 7.284 10.723 1.00 0.00 C ATOM 1508 NZ LYS A 98 13.082 7.191 11.650 1.00 0.00 N ATOM 0 H LYS A 98 10.354 5.277 6.319 1.00 0.00 H new ATOM 0 HA LYS A 98 12.550 3.770 7.417 1.00 0.00 H new ATOM 0 HB2 LYS A 98 10.019 4.973 8.340 1.00 0.00 H new ATOM 0 HB3 LYS A 98 10.540 3.544 9.208 1.00 0.00 H new ATOM 0 HG2 LYS A 98 12.738 4.546 9.659 1.00 0.00 H new ATOM 0 HG3 LYS A 98 12.367 5.923 8.641 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.227 6.014 10.357 1.00 0.00 H new ATOM 0 HD3 LYS A 98 11.430 5.303 11.413 1.00 0.00 H new ATOM 0 HE2 LYS A 98 12.261 7.688 9.766 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.190 7.975 11.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 13.500 8.134 11.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 12.759 6.825 12.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 13.797 6.548 11.253 1.00 0.00 H new ATOM 1522 N ALA A 99 9.794 2.202 6.563 1.00 0.00 N ATOM 1523 CA ALA A 99 9.251 0.891 6.255 1.00 0.00 C ATOM 1524 C ALA A 99 10.148 0.201 5.224 1.00 0.00 C ATOM 1525 O ALA A 99 10.575 -0.935 5.428 1.00 0.00 O ATOM 1526 CB ALA A 99 7.808 1.037 5.768 1.00 0.00 C ATOM 0 H ALA A 99 9.146 2.976 6.420 1.00 0.00 H new ATOM 0 HA ALA A 99 9.232 0.265 7.147 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.401 0.053 5.537 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.207 1.505 6.547 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.787 1.658 4.872 1.00 0.00 H new ATOM 1532 N ALA A 100 10.407 0.917 4.140 1.00 0.00 N ATOM 1533 CA ALA A 100 11.245 0.388 3.078 1.00 0.00 C ATOM 1534 C ALA A 100 12.588 -0.051 3.664 1.00 0.00 C ATOM 1535 O ALA A 100 13.052 -1.158 3.398 1.00 0.00 O ATOM 1536 CB ALA A 100 11.404 1.443 1.981 1.00 0.00 C ATOM 0 H ALA A 100 10.051 1.859 3.974 1.00 0.00 H new ATOM 0 HA ALA A 100 10.782 -0.488 2.624 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.033 1.047 1.184 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.424 1.699 1.577 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.868 2.336 2.399 1.00 0.00 H new ATOM 1542 N ALA A 101 13.175 0.839 4.450 1.00 0.00 N ATOM 1543 CA ALA A 101 14.455 0.557 5.076 1.00 0.00 C ATOM 1544 C ALA A 101 14.300 -0.624 6.034 1.00 0.00 C ATOM 1545 O ALA A 101 15.137 -1.526 6.057 1.00 0.00 O ATOM 1546 CB ALA A 101 14.967 1.815 5.779 1.00 0.00 C ATOM 0 H ALA A 101 12.787 1.757 4.668 1.00 0.00 H new ATOM 0 HA ALA A 101 15.196 0.278 4.327 1.00 0.00 H new ATOM 0 HB1 ALA A 101 15.928 1.604 6.249 1.00 0.00 H new ATOM 0 HB2 ALA A 101 15.088 2.616 5.049 1.00 0.00 H new ATOM 0 HB3 ALA A 101 14.251 2.123 6.540 1.00 0.00 H new ATOM 1552 N LEU A 102 13.222 -0.583 6.804 1.00 0.00 N ATOM 1553 CA LEU A 102 12.946 -1.640 7.762 1.00 0.00 C ATOM 1554 C LEU A 102 13.240 -2.996 7.119 1.00 0.00 C ATOM 1555 O LEU A 102 13.990 -3.799 7.670 1.00 0.00 O ATOM 1556 CB LEU A 102 11.521 -1.513 8.305 1.00 0.00 C ATOM 1557 CG LEU A 102 11.240 -0.283 9.171 1.00 0.00 C ATOM 1558 CD1 LEU A 102 10.493 -0.671 10.448 1.00 0.00 C ATOM 1559 CD2 LEU A 102 12.530 0.482 9.472 1.00 0.00 C ATOM 0 H LEU A 102 12.530 0.166 6.784 1.00 0.00 H new ATOM 0 HA LEU A 102 13.602 -1.549 8.628 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.831 -1.504 7.461 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.296 -2.404 8.891 1.00 0.00 H new ATOM 0 HG LEU A 102 10.591 0.389 8.609 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.306 0.221 11.045 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.544 -1.138 10.186 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.096 -1.373 11.024 1.00 0.00 H new ATOM 0 HD21 LEU A 102 12.302 1.351 10.089 1.00 0.00 H new ATOM 0 HD22 LEU A 102 13.223 -0.169 10.005 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.985 0.810 8.537 1.00 0.00 H new ATOM 1571 N GLY A 103 12.633 -3.210 5.961 1.00 0.00 N ATOM 1572 CA GLY A 103 12.819 -4.456 5.236 1.00 0.00 C ATOM 1573 C GLY A 103 11.588 -4.790 4.394 1.00 0.00 C ATOM 1574 O GLY A 103 11.183 -5.949 4.311 1.00 0.00 O ATOM 0 H GLY A 103 12.011 -2.541 5.506 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.695 -4.378 4.591 1.00 0.00 H new ATOM 0 HA3 GLY A 103 13.012 -5.265 5.940 1.00 0.00 H new ATOM 1578 N ALA A 104 11.025 -3.754 3.788 1.00 0.00 N ATOM 1579 CA ALA A 104 9.846 -3.923 2.955 1.00 0.00 C ATOM 1580 C ALA A 104 10.278 -4.077 1.495 1.00 0.00 C ATOM 1581 O ALA A 104 11.366 -3.644 1.116 1.00 0.00 O ATOM 1582 CB ALA A 104 8.900 -2.739 3.162 1.00 0.00 C ATOM 0 H ALA A 104 11.364 -2.794 3.857 1.00 0.00 H new ATOM 0 HA ALA A 104 9.303 -4.826 3.236 1.00 0.00 H new ATOM 0 HB1 ALA A 104 8.016 -2.866 2.537 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.601 -2.691 4.209 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.408 -1.815 2.888 1.00 0.00 H new ATOM 1588 N ASN A 105 9.403 -4.693 0.715 1.00 0.00 N ATOM 1589 CA ASN A 105 9.680 -4.910 -0.695 1.00 0.00 C ATOM 1590 C ASN A 105 9.602 -3.574 -1.436 1.00 0.00 C ATOM 1591 O ASN A 105 10.499 -3.233 -2.206 1.00 0.00 O ATOM 1592 CB ASN A 105 8.654 -5.858 -1.319 1.00 0.00 C ATOM 1593 CG ASN A 105 9.124 -6.350 -2.689 1.00 0.00 C ATOM 1594 OD1 ASN A 105 9.778 -7.372 -2.820 1.00 0.00 O ATOM 1595 ND2 ASN A 105 8.756 -5.568 -3.700 1.00 0.00 N ATOM 0 H ASN A 105 8.501 -5.049 1.032 1.00 0.00 H new ATOM 0 HA ASN A 105 10.674 -5.349 -0.780 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.492 -6.710 -0.659 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.697 -5.347 -1.421 1.00 0.00 H new ATOM 0 HD21 ASN A 105 9.021 -5.810 -4.655 1.00 0.00 H new ATOM 0 HD22 ASN A 105 8.209 -4.726 -3.521 1.00 0.00 H new ATOM 1602 N ASN A 106 8.520 -2.853 -1.179 1.00 0.00 N ATOM 1603 CA ASN A 106 8.313 -1.562 -1.811 1.00 0.00 C ATOM 1604 C ASN A 106 7.215 -0.803 -1.064 1.00 0.00 C ATOM 1605 O ASN A 106 6.065 -1.236 -1.037 1.00 0.00 O ATOM 1606 CB ASN A 106 7.868 -1.727 -3.266 1.00 0.00 C ATOM 1607 CG ASN A 106 8.952 -1.239 -4.229 1.00 0.00 C ATOM 1608 OD1 ASN A 106 9.935 -1.913 -4.492 1.00 0.00 O ATOM 1609 ND2 ASN A 106 8.719 -0.033 -4.741 1.00 0.00 N ATOM 0 H ASN A 106 7.777 -3.139 -0.541 1.00 0.00 H new ATOM 0 HA ASN A 106 9.256 -1.017 -1.781 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.645 -2.775 -3.465 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.948 -1.167 -3.434 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.383 0.380 -5.396 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.876 0.478 -4.479 1.00 0.00 H new ATOM 1616 N VAL A 107 7.609 0.318 -0.477 1.00 0.00 N ATOM 1617 CA VAL A 107 6.672 1.141 0.269 1.00 0.00 C ATOM 1618 C VAL A 107 6.724 2.574 -0.265 1.00 0.00 C ATOM 1619 O VAL A 107 7.800 3.154 -0.396 1.00 0.00 O ATOM 1620 CB VAL A 107 6.973 1.050 1.767 1.00 0.00 C ATOM 1621 CG1 VAL A 107 8.398 1.516 2.070 1.00 0.00 C ATOM 1622 CG2 VAL A 107 5.951 1.846 2.580 1.00 0.00 C ATOM 0 H VAL A 107 8.564 0.675 -0.503 1.00 0.00 H new ATOM 0 HA VAL A 107 5.653 0.779 0.134 1.00 0.00 H new ATOM 0 HB VAL A 107 6.894 0.004 2.062 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.585 1.441 3.141 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.108 0.888 1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 107 8.517 2.552 1.752 1.00 0.00 H new ATOM 0 HG21 VAL A 107 6.187 1.765 3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.984 2.893 2.280 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.953 1.448 2.399 1.00 0.00 H new ATOM 1632 N LEU A 108 5.545 3.105 -0.558 1.00 0.00 N ATOM 1633 CA LEU A 108 5.441 4.459 -1.074 1.00 0.00 C ATOM 1634 C LEU A 108 4.547 5.286 -0.148 1.00 0.00 C ATOM 1635 O LEU A 108 3.613 4.758 0.454 1.00 0.00 O ATOM 1636 CB LEU A 108 4.972 4.443 -2.530 1.00 0.00 C ATOM 1637 CG LEU A 108 6.040 4.113 -3.575 1.00 0.00 C ATOM 1638 CD1 LEU A 108 7.372 4.780 -3.228 1.00 0.00 C ATOM 1639 CD2 LEU A 108 6.185 2.600 -3.751 1.00 0.00 C ATOM 0 H LEU A 108 4.654 2.621 -0.448 1.00 0.00 H new ATOM 0 HA LEU A 108 6.420 4.939 -1.084 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.164 3.717 -2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.551 5.420 -2.766 1.00 0.00 H new ATOM 0 HG LEU A 108 5.717 4.520 -4.533 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.113 4.529 -3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.239 5.861 -3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.714 4.426 -2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.950 2.392 -4.499 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.474 2.149 -2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.234 2.179 -4.078 1.00 0.00 H new ATOM 1651 N ALA A 109 4.864 6.570 -0.063 1.00 0.00 N ATOM 1652 CA ALA A 109 4.100 7.475 0.778 1.00 0.00 C ATOM 1653 C ALA A 109 3.245 8.386 -0.104 1.00 0.00 C ATOM 1654 O ALA A 109 3.385 8.382 -1.326 1.00 0.00 O ATOM 1655 CB ALA A 109 5.055 8.263 1.678 1.00 0.00 C ATOM 0 H ALA A 109 5.640 7.005 -0.563 1.00 0.00 H new ATOM 0 HA ALA A 109 3.425 6.918 1.427 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.482 8.942 2.309 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.617 7.572 2.305 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.746 8.837 1.061 1.00 0.00 H new ATOM 1661 N LYS A 110 2.378 9.145 0.550 1.00 0.00 N ATOM 1662 CA LYS A 110 1.499 10.059 -0.160 1.00 0.00 C ATOM 1663 C LYS A 110 1.436 11.389 0.594 1.00 0.00 C ATOM 1664 O LYS A 110 0.373 11.786 1.069 1.00 0.00 O ATOM 1665 CB LYS A 110 0.130 9.417 -0.391 1.00 0.00 C ATOM 1666 CG LYS A 110 -0.402 9.744 -1.786 1.00 0.00 C ATOM 1667 CD LYS A 110 -1.883 10.126 -1.734 1.00 0.00 C ATOM 1668 CE LYS A 110 -2.758 8.893 -1.498 1.00 0.00 C ATOM 1669 NZ LYS A 110 -4.030 9.279 -0.846 1.00 0.00 N ATOM 0 H LYS A 110 2.265 9.146 1.564 1.00 0.00 H new ATOM 0 HA LYS A 110 1.895 10.274 -1.153 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.207 8.336 -0.272 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.573 9.772 0.362 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.174 10.564 -2.215 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.268 8.883 -2.441 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.048 10.851 -0.937 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.171 10.608 -2.668 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.964 8.399 -2.447 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.225 8.175 -0.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -4.120 8.779 0.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -4.037 10.305 -0.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -4.828 9.024 -1.463 1.00 0.00 H new ATOM 1683 N PRO A 111 2.618 12.056 0.684 1.00 0.00 N ATOM 1684 CA PRO A 111 2.706 13.332 1.373 1.00 0.00 C ATOM 1685 C PRO A 111 2.097 14.454 0.529 1.00 0.00 C ATOM 1686 O PRO A 111 1.312 14.195 -0.381 1.00 0.00 O ATOM 1687 CB PRO A 111 4.189 13.531 1.643 1.00 0.00 C ATOM 1688 CG PRO A 111 4.916 12.593 0.693 1.00 0.00 C ATOM 1689 CD PRO A 111 3.896 11.614 0.133 1.00 0.00 C ATOM 0 HA PRO A 111 2.139 13.348 2.304 1.00 0.00 H new ATOM 0 HB2 PRO A 111 4.482 14.566 1.469 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.431 13.301 2.680 1.00 0.00 H new ATOM 0 HG2 PRO A 111 5.387 13.156 -0.113 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.710 12.060 1.216 1.00 0.00 H new ATOM 0 HD2 PRO A 111 3.885 11.633 -0.957 1.00 0.00 H new ATOM 0 HD3 PRO A 111 4.124 10.591 0.432 1.00 0.00 H new ATOM 1697 N PHE A 112 2.481 15.677 0.864 1.00 0.00 N ATOM 1698 CA PHE A 112 1.981 16.839 0.148 1.00 0.00 C ATOM 1699 C PHE A 112 2.906 17.206 -1.014 1.00 0.00 C ATOM 1700 O PHE A 112 2.871 18.332 -1.508 1.00 0.00 O ATOM 1701 CB PHE A 112 1.951 17.999 1.146 1.00 0.00 C ATOM 1702 CG PHE A 112 0.589 18.215 1.807 1.00 0.00 C ATOM 1703 CD1 PHE A 112 0.262 17.524 2.932 1.00 0.00 C ATOM 1704 CD2 PHE A 112 -0.295 19.098 1.271 1.00 0.00 C ATOM 1705 CE1 PHE A 112 -1.004 17.725 3.546 1.00 0.00 C ATOM 1706 CE2 PHE A 112 -1.560 19.300 1.884 1.00 0.00 C ATOM 1707 CZ PHE A 112 -1.887 18.608 3.009 1.00 0.00 C ATOM 0 H PHE A 112 3.132 15.889 1.621 1.00 0.00 H new ATOM 0 HA PHE A 112 0.993 16.628 -0.262 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.695 17.817 1.921 1.00 0.00 H new ATOM 0 HB3 PHE A 112 2.243 18.915 0.632 1.00 0.00 H new ATOM 0 HD1 PHE A 112 0.964 16.823 3.359 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.035 19.647 0.378 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -1.264 17.176 4.439 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -2.261 20.002 1.458 1.00 0.00 H new ATOM 0 HZ PHE A 112 -2.849 18.760 3.476 1.00 0.00 H new ATOM 1717 N THR A 113 3.711 16.236 -1.417 1.00 0.00 N ATOM 1718 CA THR A 113 4.644 16.442 -2.512 1.00 0.00 C ATOM 1719 C THR A 113 4.383 15.433 -3.633 1.00 0.00 C ATOM 1720 O THR A 113 4.855 14.299 -3.573 1.00 0.00 O ATOM 1721 CB THR A 113 6.063 16.367 -1.946 1.00 0.00 C ATOM 1722 OG1 THR A 113 6.886 16.183 -3.094 1.00 0.00 O ATOM 1723 CG2 THR A 113 6.296 15.104 -1.114 1.00 0.00 C ATOM 0 H THR A 113 3.737 15.303 -1.005 1.00 0.00 H new ATOM 0 HA THR A 113 4.511 17.425 -2.964 1.00 0.00 H new ATOM 0 HB THR A 113 6.255 17.247 -1.332 1.00 0.00 H new ATOM 0 HG1 THR A 113 7.825 16.126 -2.818 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.318 15.101 -0.736 1.00 0.00 H new ATOM 0 HG22 THR A 113 5.599 15.087 -0.276 1.00 0.00 H new ATOM 0 HG23 THR A 113 6.136 14.224 -1.737 1.00 0.00 H new ATOM 1731 N ILE A 114 3.633 15.884 -4.628 1.00 0.00 N ATOM 1732 CA ILE A 114 3.303 15.034 -5.759 1.00 0.00 C ATOM 1733 C ILE A 114 4.587 14.430 -6.329 1.00 0.00 C ATOM 1734 O ILE A 114 4.561 13.356 -6.928 1.00 0.00 O ATOM 1735 CB ILE A 114 2.480 15.810 -6.790 1.00 0.00 C ATOM 1736 CG1 ILE A 114 3.301 16.943 -7.408 1.00 0.00 C ATOM 1737 CG2 ILE A 114 1.173 16.318 -6.177 1.00 0.00 C ATOM 1738 CD1 ILE A 114 3.590 16.668 -8.885 1.00 0.00 C ATOM 0 H ILE A 114 3.245 16.826 -4.674 1.00 0.00 H new ATOM 0 HA ILE A 114 2.673 14.204 -5.440 1.00 0.00 H new ATOM 0 HB ILE A 114 2.214 15.128 -7.598 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.761 17.884 -7.309 1.00 0.00 H new ATOM 0 HG13 ILE A 114 4.239 17.055 -6.865 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.607 16.866 -6.930 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.583 15.472 -5.824 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.397 16.979 -5.339 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.175 17.489 -9.300 1.00 0.00 H new ATOM 0 HD12 ILE A 114 4.151 15.738 -8.979 1.00 0.00 H new ATOM 0 HD13 ILE A 114 2.650 16.581 -9.430 1.00 0.00 H new ATOM 1750 N GLU A 115 5.683 15.146 -6.122 1.00 0.00 N ATOM 1751 CA GLU A 115 6.976 14.693 -6.607 1.00 0.00 C ATOM 1752 C GLU A 115 7.375 13.387 -5.917 1.00 0.00 C ATOM 1753 O GLU A 115 7.909 12.481 -6.555 1.00 0.00 O ATOM 1754 CB GLU A 115 8.045 15.769 -6.406 1.00 0.00 C ATOM 1755 CG GLU A 115 8.602 16.247 -7.748 1.00 0.00 C ATOM 1756 CD GLU A 115 9.892 15.503 -8.102 1.00 0.00 C ATOM 1757 OE1 GLU A 115 10.939 15.880 -7.533 1.00 0.00 O ATOM 1758 OE2 GLU A 115 9.801 14.574 -8.933 1.00 0.00 O ATOM 0 H GLU A 115 5.702 16.037 -5.625 1.00 0.00 H new ATOM 0 HA GLU A 115 6.894 14.504 -7.677 1.00 0.00 H new ATOM 0 HB2 GLU A 115 7.619 16.613 -5.864 1.00 0.00 H new ATOM 0 HB3 GLU A 115 8.854 15.372 -5.793 1.00 0.00 H new ATOM 0 HG2 GLU A 115 7.860 16.089 -8.531 1.00 0.00 H new ATOM 0 HG3 GLU A 115 8.796 17.319 -7.704 1.00 0.00 H new ATOM 1765 N LYS A 116 7.100 13.332 -4.622 1.00 0.00 N ATOM 1766 CA LYS A 116 7.424 12.153 -3.838 1.00 0.00 C ATOM 1767 C LYS A 116 6.419 11.043 -4.155 1.00 0.00 C ATOM 1768 O LYS A 116 6.805 9.953 -4.572 1.00 0.00 O ATOM 1769 CB LYS A 116 7.504 12.503 -2.350 1.00 0.00 C ATOM 1770 CG LYS A 116 8.577 11.670 -1.648 1.00 0.00 C ATOM 1771 CD LYS A 116 9.789 12.530 -1.285 1.00 0.00 C ATOM 1772 CE LYS A 116 10.861 12.453 -2.374 1.00 0.00 C ATOM 1773 NZ LYS A 116 11.477 13.782 -2.590 1.00 0.00 N ATOM 0 H LYS A 116 6.656 14.085 -4.096 1.00 0.00 H new ATOM 0 HA LYS A 116 8.411 11.777 -4.107 1.00 0.00 H new ATOM 0 HB2 LYS A 116 7.728 13.563 -2.234 1.00 0.00 H new ATOM 0 HB3 LYS A 116 6.537 12.328 -1.879 1.00 0.00 H new ATOM 0 HG2 LYS A 116 8.162 11.221 -0.746 1.00 0.00 H new ATOM 0 HG3 LYS A 116 8.889 10.851 -2.296 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.477 13.566 -1.149 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.206 12.195 -0.335 1.00 0.00 H new ATOM 0 HE2 LYS A 116 11.627 11.733 -2.088 1.00 0.00 H new ATOM 0 HE3 LYS A 116 10.418 12.095 -3.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 12.202 13.712 -3.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 10.745 14.460 -2.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 11.917 14.109 -1.706 1.00 0.00 H new ATOM 1787 N MET A 117 5.150 11.361 -3.945 1.00 0.00 N ATOM 1788 CA MET A 117 4.087 10.405 -4.204 1.00 0.00 C ATOM 1789 C MET A 117 4.147 9.894 -5.644 1.00 0.00 C ATOM 1790 O MET A 117 4.183 8.687 -5.878 1.00 0.00 O ATOM 1791 CB MET A 117 2.731 11.068 -3.953 1.00 0.00 C ATOM 1792 CG MET A 117 1.611 10.314 -4.671 1.00 0.00 C ATOM 1793 SD MET A 117 1.319 11.036 -6.277 1.00 0.00 S ATOM 1794 CE MET A 117 -0.123 12.024 -5.915 1.00 0.00 C ATOM 0 H MET A 117 4.834 12.267 -3.599 1.00 0.00 H new ATOM 0 HA MET A 117 4.216 9.556 -3.532 1.00 0.00 H new ATOM 0 HB2 MET A 117 2.528 11.095 -2.882 1.00 0.00 H new ATOM 0 HB3 MET A 117 2.758 12.101 -4.298 1.00 0.00 H new ATOM 0 HG2 MET A 117 1.880 9.263 -4.779 1.00 0.00 H new ATOM 0 HG3 MET A 117 0.698 10.349 -4.076 1.00 0.00 H new ATOM 0 HE1 MET A 117 -0.441 12.547 -6.817 1.00 0.00 H new ATOM 0 HE2 MET A 117 -0.929 11.378 -5.567 1.00 0.00 H new ATOM 0 HE3 MET A 117 0.119 12.751 -5.140 1.00 0.00 H new ATOM 1804 N LYS A 118 4.155 10.838 -6.574 1.00 0.00 N ATOM 1805 CA LYS A 118 4.211 10.500 -7.985 1.00 0.00 C ATOM 1806 C LYS A 118 5.459 9.658 -8.255 1.00 0.00 C ATOM 1807 O LYS A 118 5.360 8.529 -8.735 1.00 0.00 O ATOM 1808 CB LYS A 118 4.123 11.763 -8.843 1.00 0.00 C ATOM 1809 CG LYS A 118 3.811 11.415 -10.301 1.00 0.00 C ATOM 1810 CD LYS A 118 3.633 12.682 -11.140 1.00 0.00 C ATOM 1811 CE LYS A 118 4.062 12.444 -12.589 1.00 0.00 C ATOM 1812 NZ LYS A 118 2.880 12.213 -13.449 1.00 0.00 N ATOM 0 H LYS A 118 4.124 11.838 -6.377 1.00 0.00 H new ATOM 0 HA LYS A 118 3.350 9.893 -8.265 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.349 12.421 -8.449 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.064 12.310 -8.789 1.00 0.00 H new ATOM 0 HG2 LYS A 118 4.618 10.810 -10.715 1.00 0.00 H new ATOM 0 HG3 LYS A 118 2.904 10.812 -10.349 1.00 0.00 H new ATOM 0 HD2 LYS A 118 2.590 12.997 -11.113 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.222 13.493 -10.711 1.00 0.00 H new ATOM 0 HE2 LYS A 118 4.622 13.305 -12.954 1.00 0.00 H new ATOM 0 HE3 LYS A 118 4.730 11.584 -12.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 3.190 12.053 -14.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 2.361 11.378 -13.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 2.257 13.045 -13.414 1.00 0.00 H new ATOM 1826 N ALA A 119 6.606 10.238 -7.933 1.00 0.00 N ATOM 1827 CA ALA A 119 7.873 9.557 -8.135 1.00 0.00 C ATOM 1828 C ALA A 119 7.845 8.213 -7.403 1.00 0.00 C ATOM 1829 O ALA A 119 8.411 7.230 -7.880 1.00 0.00 O ATOM 1830 CB ALA A 119 9.018 10.455 -7.664 1.00 0.00 C ATOM 0 H ALA A 119 6.684 11.173 -7.533 1.00 0.00 H new ATOM 0 HA ALA A 119 8.035 9.353 -9.193 1.00 0.00 H new ATOM 0 HB1 ALA A 119 9.968 9.943 -7.816 1.00 0.00 H new ATOM 0 HB2 ALA A 119 9.011 11.383 -8.235 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.892 10.679 -6.605 1.00 0.00 H new ATOM 1836 N ALA A 120 7.183 8.214 -6.255 1.00 0.00 N ATOM 1837 CA ALA A 120 7.075 7.008 -5.452 1.00 0.00 C ATOM 1838 C ALA A 120 6.424 5.902 -6.286 1.00 0.00 C ATOM 1839 O ALA A 120 6.994 4.824 -6.445 1.00 0.00 O ATOM 1840 CB ALA A 120 6.290 7.314 -4.175 1.00 0.00 C ATOM 0 H ALA A 120 6.716 9.031 -5.862 1.00 0.00 H new ATOM 0 HA ALA A 120 8.062 6.657 -5.152 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.209 6.409 -3.572 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.809 8.085 -3.605 1.00 0.00 H new ATOM 0 HB3 ALA A 120 5.292 7.666 -4.437 1.00 0.00 H new ATOM 1846 N ILE A 121 5.241 6.209 -6.796 1.00 0.00 N ATOM 1847 CA ILE A 121 4.507 5.254 -7.609 1.00 0.00 C ATOM 1848 C ILE A 121 5.371 4.834 -8.801 1.00 0.00 C ATOM 1849 O ILE A 121 5.421 3.656 -9.152 1.00 0.00 O ATOM 1850 CB ILE A 121 3.146 5.825 -8.008 1.00 0.00 C ATOM 1851 CG1 ILE A 121 3.171 6.354 -9.444 1.00 0.00 C ATOM 1852 CG2 ILE A 121 2.685 6.892 -7.013 1.00 0.00 C ATOM 1853 CD1 ILE A 121 1.778 6.802 -9.889 1.00 0.00 C ATOM 0 H ILE A 121 4.772 7.105 -6.662 1.00 0.00 H new ATOM 0 HA ILE A 121 4.293 4.352 -7.036 1.00 0.00 H new ATOM 0 HB ILE A 121 2.415 5.017 -7.975 1.00 0.00 H new ATOM 0 HG12 ILE A 121 3.866 7.191 -9.515 1.00 0.00 H new ATOM 0 HG13 ILE A 121 3.538 5.577 -10.115 1.00 0.00 H new ATOM 0 HG21 ILE A 121 1.714 7.281 -7.321 1.00 0.00 H new ATOM 0 HG22 ILE A 121 2.601 6.451 -6.020 1.00 0.00 H new ATOM 0 HG23 ILE A 121 3.411 7.705 -6.989 1.00 0.00 H new ATOM 0 HD11 ILE A 121 1.825 7.173 -10.913 1.00 0.00 H new ATOM 0 HD12 ILE A 121 1.091 5.957 -9.841 1.00 0.00 H new ATOM 0 HD13 ILE A 121 1.424 7.596 -9.231 1.00 0.00 H new ATOM 1865 N GLU A 122 6.030 5.821 -9.389 1.00 0.00 N ATOM 1866 CA GLU A 122 6.890 5.570 -10.532 1.00 0.00 C ATOM 1867 C GLU A 122 7.940 4.512 -10.186 1.00 0.00 C ATOM 1868 O GLU A 122 8.515 3.888 -11.075 1.00 0.00 O ATOM 1869 CB GLU A 122 7.552 6.862 -11.016 1.00 0.00 C ATOM 1870 CG GLU A 122 6.510 7.840 -11.562 1.00 0.00 C ATOM 1871 CD GLU A 122 7.090 8.680 -12.702 1.00 0.00 C ATOM 1872 OE1 GLU A 122 8.050 9.430 -12.423 1.00 0.00 O ATOM 1873 OE2 GLU A 122 6.560 8.552 -13.826 1.00 0.00 O ATOM 0 H GLU A 122 5.986 6.797 -9.095 1.00 0.00 H new ATOM 0 HA GLU A 122 6.274 5.189 -11.347 1.00 0.00 H new ATOM 0 HB2 GLU A 122 8.096 7.326 -10.194 1.00 0.00 H new ATOM 0 HB3 GLU A 122 8.282 6.632 -11.792 1.00 0.00 H new ATOM 0 HG2 GLU A 122 5.640 7.288 -11.918 1.00 0.00 H new ATOM 0 HG3 GLU A 122 6.166 8.495 -10.761 1.00 0.00 H new ATOM 1880 N ALA A 123 8.158 4.345 -8.889 1.00 0.00 N ATOM 1881 CA ALA A 123 9.128 3.373 -8.414 1.00 0.00 C ATOM 1882 C ALA A 123 8.451 2.010 -8.268 1.00 0.00 C ATOM 1883 O ALA A 123 8.963 1.004 -8.755 1.00 0.00 O ATOM 1884 CB ALA A 123 9.739 3.864 -7.100 1.00 0.00 C ATOM 0 H ALA A 123 7.680 4.866 -8.154 1.00 0.00 H new ATOM 0 HA ALA A 123 9.941 3.261 -9.131 1.00 0.00 H new ATOM 0 HB1 ALA A 123 10.467 3.136 -6.743 1.00 0.00 H new ATOM 0 HB2 ALA A 123 10.234 4.821 -7.264 1.00 0.00 H new ATOM 0 HB3 ALA A 123 8.952 3.986 -6.356 1.00 0.00 H new ATOM 1890 N VAL A 124 7.309 2.021 -7.597 1.00 0.00 N ATOM 1891 CA VAL A 124 6.555 0.798 -7.381 1.00 0.00 C ATOM 1892 C VAL A 124 6.163 0.201 -8.733 1.00 0.00 C ATOM 1893 O VAL A 124 6.056 -1.017 -8.871 1.00 0.00 O ATOM 1894 CB VAL A 124 5.351 1.077 -6.479 1.00 0.00 C ATOM 1895 CG1 VAL A 124 4.071 1.221 -7.303 1.00 0.00 C ATOM 1896 CG2 VAL A 124 5.199 -0.012 -5.416 1.00 0.00 C ATOM 0 H VAL A 124 6.887 2.858 -7.195 1.00 0.00 H new ATOM 0 HA VAL A 124 7.167 0.059 -6.864 1.00 0.00 H new ATOM 0 HB VAL A 124 5.528 2.023 -5.967 1.00 0.00 H new ATOM 0 HG11 VAL A 124 3.230 1.419 -6.638 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.181 2.048 -8.005 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.888 0.299 -7.855 1.00 0.00 H new ATOM 0 HG21 VAL A 124 4.336 0.210 -4.788 1.00 0.00 H new ATOM 0 HG22 VAL A 124 5.055 -0.977 -5.902 1.00 0.00 H new ATOM 0 HG23 VAL A 124 6.097 -0.046 -4.799 1.00 0.00 H new ATOM 1906 N PHE A 125 5.960 1.085 -9.699 1.00 0.00 N ATOM 1907 CA PHE A 125 5.581 0.660 -11.036 1.00 0.00 C ATOM 1908 C PHE A 125 6.817 0.391 -11.896 1.00 0.00 C ATOM 1909 O PHE A 125 6.714 -0.198 -12.970 1.00 0.00 O ATOM 1910 CB PHE A 125 4.780 1.806 -11.659 1.00 0.00 C ATOM 1911 CG PHE A 125 3.506 2.163 -10.892 1.00 0.00 C ATOM 1912 CD1 PHE A 125 3.020 1.314 -9.948 1.00 0.00 C ATOM 1913 CD2 PHE A 125 2.859 3.330 -11.154 1.00 0.00 C ATOM 1914 CE1 PHE A 125 1.837 1.645 -9.237 1.00 0.00 C ATOM 1915 CE2 PHE A 125 1.676 3.662 -10.443 1.00 0.00 C ATOM 1916 CZ PHE A 125 1.190 2.813 -9.499 1.00 0.00 C ATOM 0 H PHE A 125 6.051 2.094 -9.582 1.00 0.00 H new ATOM 0 HA PHE A 125 5.000 -0.261 -10.984 1.00 0.00 H new ATOM 0 HB2 PHE A 125 5.416 2.690 -11.719 1.00 0.00 H new ATOM 0 HB3 PHE A 125 4.513 1.536 -12.681 1.00 0.00 H new ATOM 0 HD1 PHE A 125 3.534 0.388 -9.739 1.00 0.00 H new ATOM 0 HD2 PHE A 125 3.245 4.005 -11.904 1.00 0.00 H new ATOM 0 HE1 PHE A 125 1.450 0.970 -8.488 1.00 0.00 H new ATOM 0 HE2 PHE A 125 1.162 4.589 -10.652 1.00 0.00 H new ATOM 0 HZ PHE A 125 0.291 3.066 -8.957 1.00 0.00 H new ATOM 1926 N GLY A 126 7.959 0.836 -11.390 1.00 0.00 N ATOM 1927 CA GLY A 126 9.213 0.651 -12.099 1.00 0.00 C ATOM 1928 C GLY A 126 10.355 0.353 -11.124 1.00 0.00 C ATOM 1929 O GLY A 126 10.747 -0.800 -10.954 1.00 0.00 O ATOM 0 H GLY A 126 8.041 1.324 -10.498 1.00 0.00 H new ATOM 0 HA2 GLY A 126 9.115 -0.168 -12.811 1.00 0.00 H new ATOM 0 HA3 GLY A 126 9.445 1.547 -12.674 1.00 0.00 H new ATOM 1933 N ALA A 127 10.856 1.414 -10.509 1.00 0.00 N ATOM 1934 CA ALA A 127 11.945 1.282 -9.555 1.00 0.00 C ATOM 1935 C ALA A 127 11.391 0.770 -8.224 1.00 0.00 C ATOM 1936 O ALA A 127 10.846 1.542 -7.437 1.00 0.00 O ATOM 1937 CB ALA A 127 12.664 2.624 -9.411 1.00 0.00 C ATOM 0 H ALA A 127 10.528 2.369 -10.652 1.00 0.00 H new ATOM 0 HA ALA A 127 12.679 0.557 -9.907 1.00 0.00 H new ATOM 0 HB1 ALA A 127 13.480 2.524 -8.696 1.00 0.00 H new ATOM 0 HB2 ALA A 127 13.064 2.928 -10.378 1.00 0.00 H new ATOM 0 HB3 ALA A 127 11.961 3.377 -9.056 1.00 0.00 H new ATOM 1943 N LEU A 128 11.551 -0.528 -8.014 1.00 0.00 N ATOM 1944 CA LEU A 128 11.074 -1.152 -6.791 1.00 0.00 C ATOM 1945 C LEU A 128 11.842 -0.579 -5.598 1.00 0.00 C ATOM 1946 O LEU A 128 11.311 0.239 -4.848 1.00 0.00 O ATOM 1947 CB LEU A 128 11.154 -2.676 -6.900 1.00 0.00 C ATOM 1948 CG LEU A 128 11.051 -3.253 -8.314 1.00 0.00 C ATOM 1949 CD1 LEU A 128 11.010 -4.782 -8.278 1.00 0.00 C ATOM 1950 CD2 LEU A 128 9.852 -2.664 -9.059 1.00 0.00 C ATOM 0 H LEU A 128 12.004 -1.165 -8.670 1.00 0.00 H new ATOM 0 HA LEU A 128 10.020 -0.922 -6.632 1.00 0.00 H new ATOM 0 HB2 LEU A 128 12.098 -3.003 -6.463 1.00 0.00 H new ATOM 0 HB3 LEU A 128 10.357 -3.106 -6.294 1.00 0.00 H new ATOM 0 HG LEU A 128 11.945 -2.967 -8.868 1.00 0.00 H new ATOM 0 HD11 LEU A 128 10.937 -5.168 -9.295 1.00 0.00 H new ATOM 0 HD12 LEU A 128 11.920 -5.159 -7.811 1.00 0.00 H new ATOM 0 HD13 LEU A 128 10.144 -5.109 -7.702 1.00 0.00 H new ATOM 0 HD21 LEU A 128 9.801 -3.090 -10.061 1.00 0.00 H new ATOM 0 HD22 LEU A 128 8.936 -2.899 -8.518 1.00 0.00 H new ATOM 0 HD23 LEU A 128 9.964 -1.582 -9.130 1.00 0.00 H new ATOM 1962 N LYS A 129 13.080 -1.032 -5.460 1.00 0.00 N ATOM 1963 CA LYS A 129 13.926 -0.574 -4.370 1.00 0.00 C ATOM 1964 C LYS A 129 14.689 0.675 -4.813 1.00 0.00 C ATOM 1965 O LYS A 129 14.898 0.888 -6.007 1.00 0.00 O ATOM 1966 CB LYS A 129 14.831 -1.708 -3.884 1.00 0.00 C ATOM 1967 CG LYS A 129 14.266 -2.356 -2.617 1.00 0.00 C ATOM 1968 CD LYS A 129 14.542 -1.488 -1.388 1.00 0.00 C ATOM 1969 CE LYS A 129 15.794 -1.966 -0.649 1.00 0.00 C ATOM 1970 NZ LYS A 129 16.637 -0.813 -0.259 1.00 0.00 N ATOM 0 H LYS A 129 13.517 -1.710 -6.084 1.00 0.00 H new ATOM 0 HA LYS A 129 13.320 -0.289 -3.510 1.00 0.00 H new ATOM 0 HB2 LYS A 129 14.931 -2.459 -4.667 1.00 0.00 H new ATOM 0 HB3 LYS A 129 15.830 -1.321 -3.684 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.192 -2.504 -2.728 1.00 0.00 H new ATOM 0 HG3 LYS A 129 14.711 -3.341 -2.478 1.00 0.00 H new ATOM 0 HD2 LYS A 129 14.670 -0.449 -1.693 1.00 0.00 H new ATOM 0 HD3 LYS A 129 13.684 -1.520 -0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 129 15.507 -2.531 0.238 1.00 0.00 H new ATOM 0 HE3 LYS A 129 16.364 -2.642 -1.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 17.482 -1.155 0.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 16.926 -0.291 -1.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 16.095 -0.183 0.367 1.00 0.00 H new TER 1984 LYS A 129