USER MOD reduce.3.24.130724 H: found=0, std=0, add=1050, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 1054 hydrogens (16 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 73 TYR OH : rot 180:sc= -0.156 USER MOD Set 1.2: A 119 ASN : amide:sc= -0.793 K(o=-0.95,f=-2.8!) USER MOD Single : A 1 MET CE :methyl -147:sc= 0 (180deg=-0.0583) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0179) USER MOD Single : A 5 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 13 ASN : amide:sc= -9.82! C(o=-9.8!,f=-11!) USER MOD Single : A 15 ASN : amide:sc= -0.641 X(o=-0.64,f=-0.47) USER MOD Single : A 16 ASN : amide:sc= -3.15! C(o=-3.2!,f=-4!) USER MOD Single : A 21 THR OG1 : rot 10:sc= 0.782 USER MOD Single : A 28 HIS : no HD1:sc= -4.2! C(o=-4.2!,f=-2.7!) USER MOD Single : A 29 MET CE :methyl -151:sc= -0.107 (180deg=-0.802) USER MOD Single : A 31 ASN : amide:sc= -3.18 X(o=-3.2,f=-3.4!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 155:sc= -1.44 (180deg=-2.52) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.962 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0176 USER MOD Single : A 63 GLN : amide:sc= -0.455 K(o=-0.46,f=-4.4!) USER MOD Single : A 64 HIS : no HD1:sc= -17.2! C(o=-17!,f=-17!) USER MOD Single : A 66 SER OG : rot 105:sc= 1.12 USER MOD Single : A 70 LYS NZ :NH3+ 174:sc= -1.08 (180deg=-1.38) USER MOD Single : A 79 HIS : no HD1:sc= -3.77! C(o=-3.8!,f=-5!) USER MOD Single : A 81 THR OG1 : rot -150:sc= -0.919 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -4.35 K(o=-4.3,f=-12!) USER MOD Single : A 105 MET CE :methyl 149:sc= -1.12 (180deg=-3.19!) USER MOD Single : A 106 SER OG : rot 180:sc= -0.678 USER MOD Single : A 111 ASN : amide:sc= -0.653 K(o=-0.65,f=-9.1!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ -139:sc= -1.49 (180deg=-3.81!) USER MOD Single : A 131 8OG O3' : rot -63:sc= -0.233! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.760 -6.728 -1.809 1.00 0.00 N ATOM 2 CA MET A 1 -23.427 -7.305 -1.494 1.00 0.00 C ATOM 3 C MET A 1 -22.326 -6.623 -2.300 1.00 0.00 C ATOM 4 O MET A 1 -22.123 -6.928 -3.475 1.00 0.00 O ATOM 5 CB MET A 1 -23.459 -8.803 -1.808 1.00 0.00 C ATOM 6 CG MET A 1 -22.664 -9.646 -0.825 1.00 0.00 C ATOM 7 SD MET A 1 -20.884 -9.392 -0.973 1.00 0.00 S ATOM 8 CE MET A 1 -20.526 -10.350 -2.442 1.00 0.00 C ATOM 0 H1 MET A 1 -25.489 -7.211 -1.246 1.00 0.00 H new ATOM 0 H2 MET A 1 -24.762 -5.713 -1.580 1.00 0.00 H new ATOM 0 H3 MET A 1 -24.963 -6.855 -2.821 1.00 0.00 H new ATOM 0 HA MET A 1 -23.208 -7.145 -0.438 1.00 0.00 H new ATOM 0 HB2 MET A 1 -24.495 -9.143 -1.812 1.00 0.00 H new ATOM 0 HB3 MET A 1 -23.067 -8.964 -2.812 1.00 0.00 H new ATOM 0 HG2 MET A 1 -22.978 -9.406 0.191 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.892 -10.699 -0.988 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.530 -10.784 -2.359 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.262 -11.147 -2.545 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.568 -9.702 -3.318 1.00 0.00 H new ATOM 20 N LYS A 2 -21.620 -5.697 -1.661 1.00 0.00 N ATOM 21 CA LYS A 2 -20.539 -4.970 -2.318 1.00 0.00 C ATOM 22 C LYS A 2 -19.205 -5.680 -2.116 1.00 0.00 C ATOM 23 O LYS A 2 -18.965 -6.289 -1.073 1.00 0.00 O ATOM 24 CB LYS A 2 -20.456 -3.541 -1.779 1.00 0.00 C ATOM 25 CG LYS A 2 -19.848 -2.554 -2.762 1.00 0.00 C ATOM 26 CD LYS A 2 -20.204 -1.120 -2.403 1.00 0.00 C ATOM 27 CE LYS A 2 -20.053 -0.193 -3.599 1.00 0.00 C ATOM 28 NZ LYS A 2 -18.722 0.474 -3.620 1.00 0.00 N ATOM 0 H LYS A 2 -21.776 -5.432 -0.689 1.00 0.00 H new ATOM 0 HA LYS A 2 -20.754 -4.936 -3.386 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -21.457 -3.204 -1.511 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -19.864 -3.541 -0.864 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -18.764 -2.669 -2.772 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -20.202 -2.777 -3.769 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -21.230 -1.079 -2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -19.562 -0.777 -1.592 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -20.188 -0.762 -4.519 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -20.838 0.563 -3.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -18.659 1.097 -4.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -18.602 1.038 -2.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -17.973 -0.246 -3.670 1.00 0.00 H new ATOM 42 N LYS A 3 -18.339 -5.599 -3.121 1.00 0.00 N ATOM 43 CA LYS A 3 -17.028 -6.233 -3.055 1.00 0.00 C ATOM 44 C LYS A 3 -15.958 -5.336 -3.666 1.00 0.00 C ATOM 45 O LYS A 3 -16.088 -4.882 -4.803 1.00 0.00 O ATOM 46 CB LYS A 3 -17.053 -7.582 -3.775 1.00 0.00 C ATOM 47 CG LYS A 3 -17.443 -7.483 -5.241 1.00 0.00 C ATOM 48 CD LYS A 3 -16.220 -7.486 -6.144 1.00 0.00 C ATOM 49 CE LYS A 3 -16.500 -6.784 -7.464 1.00 0.00 C ATOM 50 NZ LYS A 3 -17.591 -7.451 -8.226 1.00 0.00 N ATOM 0 H LYS A 3 -18.522 -5.100 -3.991 1.00 0.00 H new ATOM 0 HA LYS A 3 -16.783 -6.395 -2.005 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.068 -8.042 -3.700 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.754 -8.243 -3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -18.092 -8.318 -5.503 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -18.016 -6.570 -5.405 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -15.391 -6.992 -5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -15.910 -8.513 -6.336 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -16.773 -5.746 -7.273 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -15.592 -6.769 -8.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -17.672 -7.018 -9.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -17.375 -8.463 -8.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -18.490 -7.339 -7.715 1.00 0.00 H new ATOM 64 N LEU A 4 -14.900 -5.083 -2.903 1.00 0.00 N ATOM 65 CA LEU A 4 -13.807 -4.237 -3.368 1.00 0.00 C ATOM 66 C LEU A 4 -12.468 -4.718 -2.809 1.00 0.00 C ATOM 67 O LEU A 4 -12.292 -4.826 -1.595 1.00 0.00 O ATOM 68 CB LEU A 4 -14.063 -2.784 -2.965 1.00 0.00 C ATOM 69 CG LEU A 4 -14.071 -2.520 -1.458 1.00 0.00 C ATOM 70 CD1 LEU A 4 -12.719 -1.997 -1.005 1.00 0.00 C ATOM 71 CD2 LEU A 4 -15.174 -1.537 -1.093 1.00 0.00 C ATOM 0 H LEU A 4 -14.776 -5.452 -1.960 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.760 -4.300 -4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.299 -2.156 -3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.022 -2.472 -3.378 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.267 -3.461 -0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.741 -1.814 0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.949 -2.734 -1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.495 -1.067 -1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -15.164 -1.362 -0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -15.009 -0.595 -1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.140 -1.949 -1.384 1.00 0.00 H new ATOM 83 N GLN A 5 -11.536 -5.023 -3.707 1.00 0.00 N ATOM 84 CA GLN A 5 -10.218 -5.514 -3.316 1.00 0.00 C ATOM 85 C GLN A 5 -9.144 -4.437 -3.416 1.00 0.00 C ATOM 86 O GLN A 5 -9.261 -3.484 -4.186 1.00 0.00 O ATOM 87 CB GLN A 5 -9.819 -6.691 -4.199 1.00 0.00 C ATOM 88 CG GLN A 5 -10.862 -7.788 -4.227 1.00 0.00 C ATOM 89 CD GLN A 5 -10.309 -9.114 -4.711 1.00 0.00 C ATOM 90 OE1 GLN A 5 -10.800 -9.687 -5.683 1.00 0.00 O ATOM 91 NE2 GLN A 5 -9.280 -9.609 -4.031 1.00 0.00 N ATOM 0 H GLN A 5 -11.670 -4.938 -4.715 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.291 -5.823 -2.273 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.647 -6.335 -5.215 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.875 -7.103 -3.842 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.275 -7.916 -3.226 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.684 -7.484 -4.875 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.905 -9.099 -3.231 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.865 -10.498 -4.309 1.00 0.00 H new ATOM 100 N ILE A 6 -8.087 -4.618 -2.634 1.00 0.00 N ATOM 101 CA ILE A 6 -6.964 -3.699 -2.622 1.00 0.00 C ATOM 102 C ILE A 6 -5.662 -4.448 -2.350 1.00 0.00 C ATOM 103 O ILE A 6 -5.563 -5.208 -1.389 1.00 0.00 O ATOM 104 CB ILE A 6 -7.149 -2.592 -1.565 1.00 0.00 C ATOM 105 CG1 ILE A 6 -8.285 -1.657 -1.976 1.00 0.00 C ATOM 106 CG2 ILE A 6 -5.855 -1.810 -1.373 1.00 0.00 C ATOM 107 CD1 ILE A 6 -9.606 -1.995 -1.324 1.00 0.00 C ATOM 0 H ILE A 6 -7.987 -5.405 -1.993 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.917 -3.232 -3.606 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.408 -3.059 -0.615 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.013 -0.633 -1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.403 -1.694 -3.059 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.007 -1.034 -0.623 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.067 -2.486 -1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.564 -1.350 -2.318 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.368 -1.292 -1.660 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -9.900 -3.008 -1.600 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.504 -1.930 -0.241 1.00 0.00 H new ATOM 119 N ALA A 7 -4.663 -4.212 -3.185 1.00 0.00 N ATOM 120 CA ALA A 7 -3.363 -4.844 -3.014 1.00 0.00 C ATOM 121 C ALA A 7 -2.293 -3.774 -2.944 1.00 0.00 C ATOM 122 O ALA A 7 -2.201 -2.932 -3.827 1.00 0.00 O ATOM 123 CB ALA A 7 -3.079 -5.813 -4.150 1.00 0.00 C ATOM 0 H ALA A 7 -4.727 -3.587 -3.989 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.363 -5.415 -2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.102 -6.273 -4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.846 -6.587 -4.168 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.085 -5.274 -5.098 1.00 0.00 H new ATOM 129 N VAL A 8 -1.498 -3.788 -1.892 1.00 0.00 N ATOM 130 CA VAL A 8 -0.463 -2.779 -1.743 1.00 0.00 C ATOM 131 C VAL A 8 0.793 -3.351 -1.101 1.00 0.00 C ATOM 132 O VAL A 8 0.762 -4.412 -0.480 1.00 0.00 O ATOM 133 CB VAL A 8 -0.973 -1.564 -0.926 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.482 -1.629 -0.728 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.267 -1.465 0.417 1.00 0.00 C ATOM 0 H VAL A 8 -1.545 -4.474 -1.138 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.207 -2.439 -2.746 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.740 -0.667 -1.499 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.811 -0.764 -0.152 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.977 -1.627 -1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.740 -2.542 -0.191 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.647 -0.603 0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.452 -2.372 0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.805 -1.349 0.257 1.00 0.00 H new ATOM 145 N GLY A 9 1.894 -2.630 -1.254 1.00 0.00 N ATOM 146 CA GLY A 9 3.151 -3.058 -0.683 1.00 0.00 C ATOM 147 C GLY A 9 4.035 -1.886 -0.315 1.00 0.00 C ATOM 148 O GLY A 9 4.228 -0.971 -1.115 1.00 0.00 O ATOM 0 H GLY A 9 1.937 -1.750 -1.768 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.959 -3.660 0.205 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.674 -3.697 -1.395 1.00 0.00 H new ATOM 152 N ILE A 10 4.580 -1.915 0.894 1.00 0.00 N ATOM 153 CA ILE A 10 5.458 -0.841 1.353 1.00 0.00 C ATOM 154 C ILE A 10 6.782 -0.909 0.601 1.00 0.00 C ATOM 155 O ILE A 10 7.528 -1.876 0.740 1.00 0.00 O ATOM 156 CB ILE A 10 5.737 -0.885 2.885 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.990 -2.036 3.573 1.00 0.00 C ATOM 158 CG2 ILE A 10 5.356 0.442 3.530 1.00 0.00 C ATOM 159 CD1 ILE A 10 3.483 -1.884 3.552 1.00 0.00 C ATOM 0 H ILE A 10 4.433 -2.663 1.572 1.00 0.00 H new ATOM 0 HA ILE A 10 4.940 0.096 1.149 1.00 0.00 H new ATOM 0 HB ILE A 10 6.805 -1.059 3.016 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.258 -2.974 3.086 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.325 -2.107 4.608 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.556 0.397 4.601 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.943 1.245 3.084 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.296 0.635 3.367 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.024 -2.735 4.056 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.203 -0.964 4.065 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.136 -1.844 2.520 1.00 0.00 H new ATOM 171 N ILE A 11 7.061 0.112 -0.207 1.00 0.00 N ATOM 172 CA ILE A 11 8.291 0.147 -0.998 1.00 0.00 C ATOM 173 C ILE A 11 9.512 0.385 -0.121 1.00 0.00 C ATOM 174 O ILE A 11 9.587 1.374 0.602 1.00 0.00 O ATOM 175 CB ILE A 11 8.252 1.228 -2.095 1.00 0.00 C ATOM 176 CG1 ILE A 11 6.825 1.423 -2.623 1.00 0.00 C ATOM 177 CG2 ILE A 11 9.194 0.846 -3.229 1.00 0.00 C ATOM 178 CD1 ILE A 11 6.765 2.153 -3.948 1.00 0.00 C ATOM 0 H ILE A 11 6.455 0.923 -0.332 1.00 0.00 H new ATOM 0 HA ILE A 11 8.366 -0.831 -1.473 1.00 0.00 H new ATOM 0 HB ILE A 11 8.580 2.174 -1.663 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.350 0.448 -2.733 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.246 1.978 -1.885 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.163 1.614 -4.002 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.210 0.760 -2.844 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.884 -0.109 -3.653 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.726 2.255 -4.260 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.210 3.142 -3.839 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.316 1.588 -4.700 1.00 0.00 H new ATOM 190 N ARG A 12 10.469 -0.533 -0.194 1.00 0.00 N ATOM 191 CA ARG A 12 11.692 -0.435 0.592 1.00 0.00 C ATOM 192 C ARG A 12 12.736 0.431 -0.098 1.00 0.00 C ATOM 193 O ARG A 12 13.138 0.157 -1.233 1.00 0.00 O ATOM 194 CB ARG A 12 12.267 -1.824 0.859 1.00 0.00 C ATOM 195 CG ARG A 12 12.117 -2.262 2.303 1.00 0.00 C ATOM 196 CD ARG A 12 13.466 -2.435 2.983 1.00 0.00 C ATOM 197 NE ARG A 12 13.364 -2.333 4.437 1.00 0.00 N ATOM 198 CZ ARG A 12 12.869 -3.294 5.213 1.00 0.00 C ATOM 199 NH1 ARG A 12 12.428 -4.426 4.681 1.00 0.00 N ATOM 200 NH2 ARG A 12 12.812 -3.120 6.527 1.00 0.00 N ATOM 0 H ARG A 12 10.420 -1.357 -0.793 1.00 0.00 H new ATOM 0 HA ARG A 12 11.433 0.038 1.540 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.770 -2.547 0.213 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.324 -1.831 0.591 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.527 -1.524 2.847 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.567 -3.202 2.343 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.884 -3.406 2.716 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.158 -1.677 2.614 1.00 0.00 H new ATOM 0 HE ARG A 12 13.691 -1.476 4.883 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.467 -4.564 3.671 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.050 -5.158 5.282 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.147 -2.250 6.941 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.433 -3.856 7.123 1.00 0.00 H new ATOM 214 N ASN A 13 13.167 1.469 0.615 1.00 0.00 N ATOM 215 CA ASN A 13 14.171 2.408 0.121 1.00 0.00 C ATOM 216 C ASN A 13 15.586 1.885 0.312 1.00 0.00 C ATOM 217 O ASN A 13 15.807 0.733 0.683 1.00 0.00 O ATOM 218 CB ASN A 13 14.050 3.762 0.806 1.00 0.00 C ATOM 219 CG ASN A 13 14.469 4.914 -0.092 1.00 0.00 C ATOM 220 OD1 ASN A 13 14.628 4.746 -1.301 1.00 0.00 O ATOM 221 ND2 ASN A 13 14.654 6.089 0.498 1.00 0.00 N ATOM 0 H ASN A 13 12.829 1.683 1.553 1.00 0.00 H new ATOM 0 HA ASN A 13 13.980 2.522 -0.946 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.019 3.912 1.125 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.666 3.766 1.706 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.939 6.898 -0.054 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.511 6.183 1.504 1.00 0.00 H new ATOM 228 N GLU A 14 16.529 2.766 0.030 1.00 0.00 N ATOM 229 CA GLU A 14 17.953 2.469 0.129 1.00 0.00 C ATOM 230 C GLU A 14 18.477 2.588 1.565 1.00 0.00 C ATOM 231 O GLU A 14 19.669 2.394 1.809 1.00 0.00 O ATOM 232 CB GLU A 14 18.716 3.434 -0.783 1.00 0.00 C ATOM 233 CG GLU A 14 20.230 3.351 -0.650 1.00 0.00 C ATOM 234 CD GLU A 14 20.944 3.590 -1.966 1.00 0.00 C ATOM 235 OE1 GLU A 14 21.009 2.649 -2.787 1.00 0.00 O ATOM 236 OE2 GLU A 14 21.437 4.718 -2.178 1.00 0.00 O ATOM 0 H GLU A 14 16.329 3.718 -0.277 1.00 0.00 H new ATOM 0 HA GLU A 14 18.108 1.435 -0.181 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.442 3.232 -1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.398 4.453 -0.562 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.568 4.085 0.081 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.504 2.369 -0.265 1.00 0.00 H new ATOM 243 N ASN A 15 17.602 2.914 2.514 1.00 0.00 N ATOM 244 CA ASN A 15 18.023 3.058 3.906 1.00 0.00 C ATOM 245 C ASN A 15 16.992 2.469 4.864 1.00 0.00 C ATOM 246 O ASN A 15 16.550 3.134 5.801 1.00 0.00 O ATOM 247 CB ASN A 15 18.256 4.535 4.232 1.00 0.00 C ATOM 248 CG ASN A 15 18.770 4.741 5.644 1.00 0.00 C ATOM 249 OD1 ASN A 15 18.231 5.548 6.402 1.00 0.00 O ATOM 250 ND2 ASN A 15 19.819 4.012 6.005 1.00 0.00 N ATOM 0 H ASN A 15 16.610 3.082 2.348 1.00 0.00 H new ATOM 0 HA ASN A 15 18.954 2.507 4.034 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.971 4.952 3.523 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.323 5.084 4.104 1.00 0.00 H new ATOM 0 HD21 ASN A 15 20.209 4.109 6.942 1.00 0.00 H new ATOM 0 HD22 ASN A 15 20.235 3.355 5.345 1.00 0.00 H new ATOM 257 N ASN A 16 16.610 1.219 4.618 1.00 0.00 N ATOM 258 CA ASN A 16 15.626 0.525 5.452 1.00 0.00 C ATOM 259 C ASN A 16 14.395 1.395 5.712 1.00 0.00 C ATOM 260 O ASN A 16 13.641 1.156 6.656 1.00 0.00 O ATOM 261 CB ASN A 16 16.257 0.088 6.778 1.00 0.00 C ATOM 262 CG ASN A 16 16.566 1.254 7.698 1.00 0.00 C ATOM 263 OD1 ASN A 16 17.645 1.841 7.633 1.00 0.00 O ATOM 264 ND2 ASN A 16 15.616 1.594 8.562 1.00 0.00 N ATOM 0 H ASN A 16 16.968 0.661 3.843 1.00 0.00 H new ATOM 0 HA ASN A 16 15.300 -0.361 4.907 1.00 0.00 H new ATOM 0 HB2 ASN A 16 15.582 -0.600 7.286 1.00 0.00 H new ATOM 0 HB3 ASN A 16 17.177 -0.460 6.574 1.00 0.00 H new ATOM 0 HD21 ASN A 16 15.767 2.370 9.206 1.00 0.00 H new ATOM 0 HD22 ASN A 16 14.736 1.079 8.581 1.00 0.00 H new ATOM 271 N GLU A 17 14.184 2.386 4.853 1.00 0.00 N ATOM 272 CA GLU A 17 13.037 3.271 4.966 1.00 0.00 C ATOM 273 C GLU A 17 12.107 3.009 3.796 1.00 0.00 C ATOM 274 O GLU A 17 12.549 2.545 2.753 1.00 0.00 O ATOM 275 CB GLU A 17 13.479 4.736 4.980 1.00 0.00 C ATOM 276 CG GLU A 17 14.309 5.132 3.771 1.00 0.00 C ATOM 277 CD GLU A 17 14.885 6.530 3.893 1.00 0.00 C ATOM 278 OE1 GLU A 17 14.323 7.338 4.661 1.00 0.00 O ATOM 279 OE2 GLU A 17 15.897 6.816 3.220 1.00 0.00 O ATOM 0 H GLU A 17 14.799 2.595 4.066 1.00 0.00 H new ATOM 0 HA GLU A 17 12.517 3.075 5.904 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.596 5.373 5.028 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.057 4.924 5.885 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.122 4.418 3.643 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.690 5.074 2.875 1.00 0.00 H new ATOM 286 N ILE A 18 10.822 3.272 3.965 1.00 0.00 N ATOM 287 CA ILE A 18 9.870 3.015 2.896 1.00 0.00 C ATOM 288 C ILE A 18 9.078 4.260 2.510 1.00 0.00 C ATOM 289 O ILE A 18 8.691 5.062 3.360 1.00 0.00 O ATOM 290 CB ILE A 18 8.906 1.876 3.295 1.00 0.00 C ATOM 291 CG1 ILE A 18 9.630 0.529 3.232 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.664 1.859 2.411 1.00 0.00 C ATOM 293 CD1 ILE A 18 9.334 -0.373 4.410 1.00 0.00 C ATOM 0 H ILE A 18 10.418 3.658 4.818 1.00 0.00 H new ATOM 0 HA ILE A 18 10.447 2.713 2.022 1.00 0.00 H new ATOM 0 HB ILE A 18 8.577 2.055 4.319 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.347 0.017 2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.704 0.705 3.181 1.00 0.00 H new ATOM 0 HG21 ILE A 18 7.008 1.045 2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.135 2.807 2.508 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.959 1.712 1.372 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.881 -1.309 4.298 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.643 0.120 5.332 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.265 -0.580 4.450 1.00 0.00 H new ATOM 305 N PHE A 19 8.836 4.394 1.210 1.00 0.00 N ATOM 306 CA PHE A 19 8.081 5.514 0.669 1.00 0.00 C ATOM 307 C PHE A 19 6.588 5.194 0.691 1.00 0.00 C ATOM 308 O PHE A 19 6.136 4.248 0.048 1.00 0.00 O ATOM 309 CB PHE A 19 8.562 5.813 -0.763 1.00 0.00 C ATOM 310 CG PHE A 19 7.516 6.396 -1.678 1.00 0.00 C ATOM 311 CD1 PHE A 19 6.560 5.583 -2.269 1.00 0.00 C ATOM 312 CD2 PHE A 19 7.495 7.753 -1.952 1.00 0.00 C ATOM 313 CE1 PHE A 19 5.606 6.114 -3.116 1.00 0.00 C ATOM 314 CE2 PHE A 19 6.542 8.289 -2.798 1.00 0.00 C ATOM 315 CZ PHE A 19 5.597 7.468 -3.380 1.00 0.00 C ATOM 0 H PHE A 19 9.157 3.730 0.505 1.00 0.00 H new ATOM 0 HA PHE A 19 8.246 6.400 1.282 1.00 0.00 H new ATOM 0 HB2 PHE A 19 9.403 6.504 -0.711 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.936 4.889 -1.205 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.561 4.522 -2.065 1.00 0.00 H new ATOM 0 HD2 PHE A 19 8.232 8.400 -1.500 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.868 5.470 -3.571 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.537 9.349 -3.003 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.852 7.885 -4.041 1.00 0.00 H new ATOM 325 N ILE A 20 5.829 5.983 1.440 1.00 0.00 N ATOM 326 CA ILE A 20 4.391 5.778 1.546 1.00 0.00 C ATOM 327 C ILE A 20 3.643 7.078 1.272 1.00 0.00 C ATOM 328 O ILE A 20 4.114 8.159 1.624 1.00 0.00 O ATOM 329 CB ILE A 20 3.978 5.248 2.942 1.00 0.00 C ATOM 330 CG1 ILE A 20 5.208 4.984 3.816 1.00 0.00 C ATOM 331 CG2 ILE A 20 3.145 3.982 2.805 1.00 0.00 C ATOM 332 CD1 ILE A 20 4.874 4.728 5.269 1.00 0.00 C ATOM 0 H ILE A 20 6.185 6.770 1.983 1.00 0.00 H new ATOM 0 HA ILE A 20 4.126 5.029 0.800 1.00 0.00 H new ATOM 0 HB ILE A 20 3.374 6.014 3.428 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.748 4.124 3.419 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.880 5.840 3.751 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.863 3.623 3.795 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.246 4.199 2.228 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.728 3.216 2.294 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.793 4.549 5.827 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.361 5.596 5.683 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.227 3.854 5.345 1.00 0.00 H new ATOM 344 N THR A 21 2.478 6.968 0.648 1.00 0.00 N ATOM 345 CA THR A 21 1.673 8.142 0.339 1.00 0.00 C ATOM 346 C THR A 21 1.081 8.726 1.616 1.00 0.00 C ATOM 347 O THR A 21 0.227 8.109 2.249 1.00 0.00 O ATOM 348 CB THR A 21 0.555 7.775 -0.636 1.00 0.00 C ATOM 349 OG1 THR A 21 -0.350 6.861 -0.041 1.00 0.00 O ATOM 350 CG2 THR A 21 1.060 7.150 -1.919 1.00 0.00 C ATOM 0 H THR A 21 2.071 6.083 0.347 1.00 0.00 H new ATOM 0 HA THR A 21 2.314 8.891 -0.126 1.00 0.00 H new ATOM 0 HB THR A 21 0.063 8.717 -0.878 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.156 6.785 0.917 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.215 6.914 -2.566 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.723 7.850 -2.428 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.607 6.236 -1.688 1.00 0.00 H new ATOM 358 N ARG A 22 1.545 9.913 1.994 1.00 0.00 N ATOM 359 CA ARG A 22 1.063 10.568 3.205 1.00 0.00 C ATOM 360 C ARG A 22 0.946 12.075 3.003 1.00 0.00 C ATOM 361 O ARG A 22 1.750 12.680 2.295 1.00 0.00 O ATOM 362 CB ARG A 22 2.004 10.272 4.374 1.00 0.00 C ATOM 363 CG ARG A 22 1.526 10.841 5.700 1.00 0.00 C ATOM 364 CD ARG A 22 2.694 11.224 6.595 1.00 0.00 C ATOM 365 NE ARG A 22 3.177 12.574 6.318 1.00 0.00 N ATOM 366 CZ ARG A 22 4.340 13.050 6.757 1.00 0.00 C ATOM 367 NH1 ARG A 22 5.141 12.290 7.493 1.00 0.00 N ATOM 368 NH2 ARG A 22 4.703 14.290 6.460 1.00 0.00 N ATOM 0 H ARG A 22 2.252 10.440 1.481 1.00 0.00 H new ATOM 0 HA ARG A 22 0.072 10.174 3.431 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.119 9.193 4.472 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.990 10.679 4.148 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.903 11.717 5.518 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.902 10.106 6.209 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.388 11.156 7.639 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.507 10.512 6.454 1.00 0.00 H new ATOM 0 HE ARG A 22 2.589 13.188 5.755 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.867 11.335 7.725 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.031 12.660 7.826 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.091 14.879 5.895 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.594 14.655 6.796 1.00 0.00 H new ATOM 382 N ARG A 23 -0.063 12.673 3.630 1.00 0.00 N ATOM 383 CA ARG A 23 -0.289 14.111 3.522 1.00 0.00 C ATOM 384 C ARG A 23 -0.227 14.569 2.062 1.00 0.00 C ATOM 385 O ARG A 23 -1.120 14.255 1.275 1.00 0.00 O ATOM 386 CB ARG A 23 0.723 14.869 4.390 1.00 0.00 C ATOM 387 CG ARG A 23 0.500 16.375 4.414 1.00 0.00 C ATOM 388 CD ARG A 23 0.112 16.862 5.802 1.00 0.00 C ATOM 389 NE ARG A 23 0.664 18.184 6.092 1.00 0.00 N ATOM 390 CZ ARG A 23 0.781 18.684 7.320 1.00 0.00 C ATOM 391 NH1 ARG A 23 0.387 17.979 8.373 1.00 0.00 N ATOM 392 NH2 ARG A 23 1.294 19.895 7.495 1.00 0.00 N ATOM 0 H ARG A 23 -0.737 12.184 4.218 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.290 14.336 3.889 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.673 14.487 5.409 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.729 14.665 4.022 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.408 16.883 4.090 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.283 16.639 3.703 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.974 16.897 5.884 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.465 16.150 6.548 1.00 0.00 H new ATOM 0 HE ARG A 23 0.978 18.756 5.308 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.008 17.048 8.244 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.480 18.368 9.311 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.598 20.441 6.689 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.384 20.280 8.435 1.00 0.00 H new ATOM 406 N ALA A 24 0.821 15.307 1.702 1.00 0.00 N ATOM 407 CA ALA A 24 0.986 15.798 0.337 1.00 0.00 C ATOM 408 C ALA A 24 2.098 16.838 0.261 1.00 0.00 C ATOM 409 O ALA A 24 2.835 17.046 1.225 1.00 0.00 O ATOM 410 CB ALA A 24 -0.321 16.386 -0.182 1.00 0.00 C ATOM 0 H ALA A 24 1.570 15.578 2.339 1.00 0.00 H new ATOM 0 HA ALA A 24 1.264 14.953 -0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.179 16.747 -1.201 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.094 15.618 -0.174 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.626 17.215 0.457 1.00 0.00 H new ATOM 416 N ALA A 25 2.209 17.492 -0.890 1.00 0.00 N ATOM 417 CA ALA A 25 3.226 18.516 -1.093 1.00 0.00 C ATOM 418 C ALA A 25 2.609 19.910 -1.049 1.00 0.00 C ATOM 419 O ALA A 25 3.258 20.876 -0.646 1.00 0.00 O ATOM 420 CB ALA A 25 3.943 18.294 -2.417 1.00 0.00 C ATOM 0 H ALA A 25 1.606 17.331 -1.697 1.00 0.00 H new ATOM 0 HA ALA A 25 3.953 18.440 -0.285 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.700 19.066 -2.555 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.421 17.314 -2.412 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.222 18.342 -3.233 1.00 0.00 H new ATOM 426 N ASP A 26 1.350 20.004 -1.464 1.00 0.00 N ATOM 427 CA ASP A 26 0.639 21.278 -1.472 1.00 0.00 C ATOM 428 C ASP A 26 -0.747 21.127 -0.852 1.00 0.00 C ATOM 429 O ASP A 26 -1.161 21.943 -0.028 1.00 0.00 O ATOM 430 CB ASP A 26 0.517 21.810 -2.900 1.00 0.00 C ATOM 431 CG ASP A 26 0.006 20.760 -3.867 1.00 0.00 C ATOM 432 OD1 ASP A 26 -1.224 20.549 -3.918 1.00 0.00 O ATOM 433 OD2 ASP A 26 0.836 20.151 -4.574 1.00 0.00 O ATOM 0 H ASP A 26 0.801 19.213 -1.799 1.00 0.00 H new ATOM 0 HA ASP A 26 1.210 21.990 -0.876 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.157 22.667 -2.909 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.491 22.166 -3.236 1.00 0.00 H new ATOM 438 N ALA A 27 -1.457 20.077 -1.253 1.00 0.00 N ATOM 439 CA ALA A 27 -2.796 19.817 -0.736 1.00 0.00 C ATOM 440 C ALA A 27 -2.741 19.344 0.713 1.00 0.00 C ATOM 441 O ALA A 27 -1.711 19.465 1.376 1.00 0.00 O ATOM 442 CB ALA A 27 -3.505 18.788 -1.605 1.00 0.00 C ATOM 0 H ALA A 27 -1.128 19.393 -1.934 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.360 20.750 -0.764 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.503 18.603 -1.208 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.584 19.165 -2.625 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -2.936 17.858 -1.605 1.00 0.00 H new ATOM 448 N HIS A 28 -3.855 18.807 1.201 1.00 0.00 N ATOM 449 CA HIS A 28 -3.929 18.318 2.573 1.00 0.00 C ATOM 450 C HIS A 28 -3.661 16.812 2.631 1.00 0.00 C ATOM 451 O HIS A 28 -2.526 16.386 2.838 1.00 0.00 O ATOM 452 CB HIS A 28 -5.296 18.650 3.181 1.00 0.00 C ATOM 453 CG HIS A 28 -5.484 18.121 4.569 1.00 0.00 C ATOM 454 ND1 HIS A 28 -4.766 18.581 5.653 1.00 0.00 N ATOM 455 CD2 HIS A 28 -6.319 17.170 5.049 1.00 0.00 C ATOM 456 CE1 HIS A 28 -5.149 17.932 6.739 1.00 0.00 C ATOM 457 NE2 HIS A 28 -6.091 17.072 6.399 1.00 0.00 N ATOM 0 H HIS A 28 -4.718 18.700 0.667 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.158 18.818 3.159 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -5.424 19.732 3.194 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -6.077 18.244 2.538 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.032 16.595 4.476 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -4.758 18.080 7.735 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -6.572 16.437 7.036 1.00 0.00 H new ATOM 466 N MET A 29 -4.710 16.009 2.444 1.00 0.00 N ATOM 467 CA MET A 29 -4.579 14.552 2.474 1.00 0.00 C ATOM 468 C MET A 29 -3.754 14.092 3.673 1.00 0.00 C ATOM 469 O MET A 29 -3.089 13.056 3.622 1.00 0.00 O ATOM 470 CB MET A 29 -3.936 14.054 1.178 1.00 0.00 C ATOM 471 CG MET A 29 -4.938 13.765 0.073 1.00 0.00 C ATOM 472 SD MET A 29 -5.081 15.120 -1.108 1.00 0.00 S ATOM 473 CE MET A 29 -6.536 15.959 -0.487 1.00 0.00 C ATOM 0 H MET A 29 -5.658 16.343 2.270 1.00 0.00 H new ATOM 0 HA MET A 29 -5.579 14.129 2.568 1.00 0.00 H new ATOM 0 HB2 MET A 29 -3.224 14.800 0.825 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.369 13.147 1.389 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.640 12.859 -0.454 1.00 0.00 H new ATOM 0 HG3 MET A 29 -5.915 13.570 0.516 1.00 0.00 H new ATOM 0 HE1 MET A 29 -7.051 16.452 -1.311 1.00 0.00 H new ATOM 0 HE2 MET A 29 -7.204 15.233 -0.023 1.00 0.00 H new ATOM 0 HE3 MET A 29 -6.239 16.703 0.252 1.00 0.00 H new ATOM 483 N ALA A 30 -3.798 14.868 4.751 1.00 0.00 N ATOM 484 CA ALA A 30 -3.052 14.544 5.962 1.00 0.00 C ATOM 485 C ALA A 30 -3.444 13.175 6.511 1.00 0.00 C ATOM 486 O ALA A 30 -2.675 12.549 7.240 1.00 0.00 O ATOM 487 CB ALA A 30 -3.272 15.617 7.017 1.00 0.00 C ATOM 0 H ALA A 30 -4.344 15.728 4.811 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.994 14.508 5.703 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.710 15.364 7.916 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.931 16.579 6.634 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.333 15.678 7.258 1.00 0.00 H new ATOM 493 N ASN A 31 -4.643 12.717 6.164 1.00 0.00 N ATOM 494 CA ASN A 31 -5.128 11.423 6.632 1.00 0.00 C ATOM 495 C ASN A 31 -5.106 10.385 5.514 1.00 0.00 C ATOM 496 O ASN A 31 -5.926 9.468 5.490 1.00 0.00 O ATOM 497 CB ASN A 31 -6.547 11.560 7.187 1.00 0.00 C ATOM 498 CG ASN A 31 -7.002 10.317 7.926 1.00 0.00 C ATOM 499 OD1 ASN A 31 -6.623 10.089 9.074 1.00 0.00 O ATOM 500 ND2 ASN A 31 -7.821 9.505 7.266 1.00 0.00 N ATOM 0 H ASN A 31 -5.295 13.221 5.562 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.462 11.083 7.425 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.589 12.416 7.861 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.236 11.765 6.368 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.161 8.652 7.711 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.109 9.734 6.315 1.00 0.00 H new ATOM 507 N LYS A 32 -4.164 10.535 4.587 1.00 0.00 N ATOM 508 CA LYS A 32 -4.042 9.607 3.465 1.00 0.00 C ATOM 509 C LYS A 32 -2.740 8.821 3.533 1.00 0.00 C ATOM 510 O LYS A 32 -2.220 8.371 2.513 1.00 0.00 O ATOM 511 CB LYS A 32 -4.140 10.353 2.134 1.00 0.00 C ATOM 512 CG LYS A 32 -5.230 9.818 1.217 1.00 0.00 C ATOM 513 CD LYS A 32 -6.419 10.766 1.144 1.00 0.00 C ATOM 514 CE LYS A 32 -6.685 11.220 -0.282 1.00 0.00 C ATOM 515 NZ LYS A 32 -7.601 10.292 -1.001 1.00 0.00 N ATOM 0 H LYS A 32 -3.476 11.288 4.590 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.868 8.899 3.533 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.328 11.408 2.331 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.181 10.290 1.620 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.823 9.667 0.217 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.562 8.844 1.576 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.305 10.270 1.540 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.231 11.635 1.774 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.119 12.220 -0.269 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.741 11.289 -0.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.756 10.638 -1.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.176 9.343 -1.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.511 10.245 -0.500 1.00 0.00 H new ATOM 529 N LEU A 33 -2.225 8.667 4.740 1.00 0.00 N ATOM 530 CA LEU A 33 -0.981 7.936 4.961 1.00 0.00 C ATOM 531 C LEU A 33 -1.137 6.466 4.574 1.00 0.00 C ATOM 532 O LEU A 33 -1.242 5.596 5.436 1.00 0.00 O ATOM 533 CB LEU A 33 -0.561 8.053 6.428 1.00 0.00 C ATOM 534 CG LEU A 33 0.883 7.649 6.732 1.00 0.00 C ATOM 535 CD1 LEU A 33 1.368 8.319 8.010 1.00 0.00 C ATOM 536 CD2 LEU A 33 1.004 6.137 6.842 1.00 0.00 C ATOM 0 H LEU A 33 -2.649 9.039 5.590 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.207 8.374 4.331 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.707 9.084 6.749 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.228 7.435 7.029 1.00 0.00 H new ATOM 0 HG LEU A 33 1.513 7.984 5.908 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.397 8.020 8.210 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.321 9.402 7.894 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.734 8.016 8.843 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.038 5.870 7.058 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.361 5.778 7.645 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.700 5.678 5.901 1.00 0.00 H new ATOM 548 N GLU A 34 -1.160 6.196 3.270 1.00 0.00 N ATOM 549 CA GLU A 34 -1.313 4.831 2.776 1.00 0.00 C ATOM 550 C GLU A 34 -0.161 4.437 1.854 1.00 0.00 C ATOM 551 O GLU A 34 0.830 5.157 1.738 1.00 0.00 O ATOM 552 CB GLU A 34 -2.646 4.680 2.039 1.00 0.00 C ATOM 553 CG GLU A 34 -3.363 3.374 2.339 1.00 0.00 C ATOM 554 CD GLU A 34 -4.132 2.844 1.145 1.00 0.00 C ATOM 555 OE1 GLU A 34 -4.998 3.578 0.624 1.00 0.00 O ATOM 556 OE2 GLU A 34 -3.869 1.696 0.731 1.00 0.00 O ATOM 0 H GLU A 34 -1.075 6.903 2.539 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.299 4.164 3.638 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.297 5.512 2.308 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.468 4.749 0.966 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.634 2.628 2.657 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.050 3.524 3.172 1.00 0.00 H new ATOM 563 N PHE A 35 -0.298 3.280 1.208 1.00 0.00 N ATOM 564 CA PHE A 35 0.732 2.776 0.302 1.00 0.00 C ATOM 565 C PHE A 35 0.198 2.611 -1.123 1.00 0.00 C ATOM 566 O PHE A 35 -1.006 2.687 -1.363 1.00 0.00 O ATOM 567 CB PHE A 35 1.294 1.438 0.796 1.00 0.00 C ATOM 568 CG PHE A 35 1.102 1.181 2.265 1.00 0.00 C ATOM 569 CD1 PHE A 35 -0.162 0.955 2.788 1.00 0.00 C ATOM 570 CD2 PHE A 35 2.190 1.164 3.120 1.00 0.00 C ATOM 571 CE1 PHE A 35 -0.333 0.716 4.138 1.00 0.00 C ATOM 572 CE2 PHE A 35 2.024 0.925 4.470 1.00 0.00 C ATOM 573 CZ PHE A 35 0.761 0.702 4.979 1.00 0.00 C ATOM 0 H PHE A 35 -1.113 2.674 1.296 1.00 0.00 H new ATOM 0 HA PHE A 35 1.532 3.516 0.289 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.822 0.632 0.235 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.360 1.401 0.571 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.021 0.966 2.134 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.180 1.340 2.727 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.322 0.540 4.535 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.882 0.913 5.126 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.629 0.517 6.035 1.00 0.00 H new ATOM 583 N PRO A 36 1.109 2.382 -2.089 1.00 0.00 N ATOM 584 CA PRO A 36 0.767 2.202 -3.503 1.00 0.00 C ATOM 585 C PRO A 36 0.325 0.778 -3.842 1.00 0.00 C ATOM 586 O PRO A 36 0.500 -0.146 -3.051 1.00 0.00 O ATOM 587 CB PRO A 36 2.076 2.535 -4.210 1.00 0.00 C ATOM 588 CG PRO A 36 3.134 2.095 -3.259 1.00 0.00 C ATOM 589 CD PRO A 36 2.568 2.282 -1.872 1.00 0.00 C ATOM 0 HA PRO A 36 -0.079 2.824 -3.797 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.157 2.013 -5.163 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.152 3.601 -4.423 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.402 1.053 -3.432 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.042 2.683 -3.390 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.818 1.443 -1.223 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.963 3.180 -1.398 1.00 0.00 H new ATOM 597 N GLY A 37 -0.242 0.618 -5.035 1.00 0.00 N ATOM 598 CA GLY A 37 -0.707 -0.682 -5.494 1.00 0.00 C ATOM 599 C GLY A 37 -2.213 -0.873 -5.394 1.00 0.00 C ATOM 600 O GLY A 37 -2.741 -1.881 -5.855 1.00 0.00 O ATOM 0 H GLY A 37 -0.389 1.377 -5.701 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.402 -0.820 -6.531 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.213 -1.459 -4.911 1.00 0.00 H new ATOM 604 N GLY A 38 -2.904 0.093 -4.816 1.00 0.00 N ATOM 605 CA GLY A 38 -4.348 0.012 -4.684 1.00 0.00 C ATOM 606 C GLY A 38 -5.071 -0.050 -6.021 1.00 0.00 C ATOM 607 O GLY A 38 -4.478 0.229 -7.065 1.00 0.00 O ATOM 0 H GLY A 38 -2.490 0.942 -4.431 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.604 -0.872 -4.099 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.704 0.878 -4.126 1.00 0.00 H new ATOM 611 N LYS A 39 -6.362 -0.404 -5.983 1.00 0.00 N ATOM 612 CA LYS A 39 -7.193 -0.489 -7.183 1.00 0.00 C ATOM 613 C LYS A 39 -7.013 -1.811 -7.923 1.00 0.00 C ATOM 614 O LYS A 39 -7.649 -2.039 -8.953 1.00 0.00 O ATOM 615 CB LYS A 39 -6.914 0.676 -8.128 1.00 0.00 C ATOM 616 CG LYS A 39 -7.918 0.774 -9.259 1.00 0.00 C ATOM 617 CD LYS A 39 -8.609 2.129 -9.276 1.00 0.00 C ATOM 618 CE LYS A 39 -9.667 2.231 -8.186 1.00 0.00 C ATOM 619 NZ LYS A 39 -9.063 2.396 -6.832 1.00 0.00 N ATOM 0 H LYS A 39 -6.855 -0.638 -5.121 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.228 -0.436 -6.845 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.922 1.607 -7.561 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.913 0.566 -8.546 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.412 0.610 -10.211 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.663 -0.014 -9.154 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.869 2.918 -9.141 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.072 2.290 -10.250 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.323 3.076 -8.396 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.288 1.335 -8.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.743 2.870 -6.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.825 1.462 -6.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.200 2.971 -6.905 1.00 0.00 H new ATOM 633 N ILE A 40 -6.161 -2.686 -7.401 1.00 0.00 N ATOM 634 CA ILE A 40 -5.930 -3.987 -8.029 1.00 0.00 C ATOM 635 C ILE A 40 -7.251 -4.679 -8.324 1.00 0.00 C ATOM 636 O ILE A 40 -7.374 -5.464 -9.265 1.00 0.00 O ATOM 637 CB ILE A 40 -5.051 -4.900 -7.149 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.866 -5.519 -6.000 1.00 0.00 C ATOM 639 CG2 ILE A 40 -3.873 -4.103 -6.613 1.00 0.00 C ATOM 640 CD1 ILE A 40 -5.552 -6.978 -5.747 1.00 0.00 C ATOM 0 H ILE A 40 -5.621 -2.523 -6.551 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.400 -3.804 -8.964 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.677 -5.723 -7.759 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.679 -4.953 -5.088 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.928 -5.419 -6.225 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.251 -4.747 -5.991 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.282 -3.722 -7.446 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.240 -3.267 -6.017 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.165 -7.345 -4.923 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.767 -7.557 -6.645 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.498 -7.084 -5.490 1.00 0.00 H new ATOM 652 N GLU A 41 -8.233 -4.361 -7.497 1.00 0.00 N ATOM 653 CA GLU A 41 -9.573 -4.911 -7.613 1.00 0.00 C ATOM 654 C GLU A 41 -10.038 -4.911 -9.062 1.00 0.00 C ATOM 655 O GLU A 41 -10.322 -5.966 -9.626 1.00 0.00 O ATOM 656 CB GLU A 41 -10.532 -4.095 -6.748 1.00 0.00 C ATOM 657 CG GLU A 41 -10.288 -2.590 -6.815 1.00 0.00 C ATOM 658 CD GLU A 41 -11.410 -1.846 -7.513 1.00 0.00 C ATOM 659 OE1 GLU A 41 -12.427 -1.550 -6.852 1.00 0.00 O ATOM 660 OE2 GLU A 41 -11.271 -1.559 -8.721 1.00 0.00 O ATOM 0 H GLU A 41 -8.122 -3.709 -6.721 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.560 -5.944 -7.266 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.555 -4.303 -7.060 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.442 -4.423 -5.712 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.172 -2.199 -5.804 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.351 -2.401 -7.339 1.00 0.00 H new ATOM 667 N MET A 42 -10.100 -3.712 -9.648 1.00 0.00 N ATOM 668 CA MET A 42 -10.516 -3.520 -11.046 1.00 0.00 C ATOM 669 C MET A 42 -11.051 -4.806 -11.680 1.00 0.00 C ATOM 670 O MET A 42 -12.262 -5.007 -11.773 1.00 0.00 O ATOM 671 CB MET A 42 -9.339 -2.983 -11.868 1.00 0.00 C ATOM 672 CG MET A 42 -9.569 -1.585 -12.414 1.00 0.00 C ATOM 673 SD MET A 42 -8.055 -0.608 -12.480 1.00 0.00 S ATOM 674 CE MET A 42 -8.659 0.902 -13.232 1.00 0.00 C ATOM 0 H MET A 42 -9.863 -2.844 -9.168 1.00 0.00 H new ATOM 0 HA MET A 42 -11.332 -2.798 -11.046 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.444 -2.979 -11.246 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.147 -3.662 -12.699 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.995 -1.655 -13.415 1.00 0.00 H new ATOM 0 HG3 MET A 42 -10.301 -1.072 -11.791 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.836 1.609 -13.340 1.00 0.00 H new ATOM 0 HE2 MET A 42 -9.076 0.678 -14.214 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.432 1.339 -12.600 1.00 0.00 H new ATOM 684 N GLY A 43 -10.138 -5.672 -12.111 1.00 0.00 N ATOM 685 CA GLY A 43 -10.533 -6.923 -12.728 1.00 0.00 C ATOM 686 C GLY A 43 -9.351 -7.780 -13.119 1.00 0.00 C ATOM 687 O GLY A 43 -9.397 -8.506 -14.112 1.00 0.00 O ATOM 0 H GLY A 43 -9.131 -5.528 -12.043 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.167 -7.479 -12.038 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.133 -6.713 -13.613 1.00 0.00 H new ATOM 691 N GLU A 44 -8.292 -7.688 -12.337 1.00 0.00 N ATOM 692 CA GLU A 44 -7.078 -8.454 -12.598 1.00 0.00 C ATOM 693 C GLU A 44 -7.136 -9.821 -11.923 1.00 0.00 C ATOM 694 O GLU A 44 -8.158 -10.198 -11.350 1.00 0.00 O ATOM 695 CB GLU A 44 -5.850 -7.680 -12.115 1.00 0.00 C ATOM 696 CG GLU A 44 -5.165 -6.881 -13.212 1.00 0.00 C ATOM 697 CD GLU A 44 -6.091 -5.872 -13.862 1.00 0.00 C ATOM 698 OE1 GLU A 44 -6.952 -5.311 -13.151 1.00 0.00 O ATOM 699 OE2 GLU A 44 -5.955 -5.643 -15.082 1.00 0.00 O ATOM 0 H GLU A 44 -8.244 -7.090 -11.512 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.001 -8.609 -13.674 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.149 -7.002 -11.316 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.134 -8.381 -11.687 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.303 -6.361 -12.794 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.787 -7.564 -13.972 1.00 0.00 H new ATOM 706 N THR A 45 -6.031 -10.559 -11.992 1.00 0.00 N ATOM 707 CA THR A 45 -5.955 -11.882 -11.387 1.00 0.00 C ATOM 708 C THR A 45 -5.304 -11.796 -10.010 1.00 0.00 C ATOM 709 O THR A 45 -4.515 -10.890 -9.748 1.00 0.00 O ATOM 710 CB THR A 45 -5.157 -12.832 -12.288 1.00 0.00 C ATOM 711 OG1 THR A 45 -4.851 -12.214 -13.525 1.00 0.00 O ATOM 712 CG2 THR A 45 -5.881 -14.125 -12.589 1.00 0.00 C ATOM 0 H THR A 45 -5.176 -10.261 -12.462 1.00 0.00 H new ATOM 0 HA THR A 45 -6.967 -12.272 -11.274 1.00 0.00 H new ATOM 0 HB THR A 45 -4.252 -13.064 -11.727 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.340 -12.836 -14.084 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.259 -14.749 -13.231 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.086 -14.653 -11.658 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.821 -13.906 -13.096 1.00 0.00 H new ATOM 720 N PRO A 46 -5.616 -12.742 -9.107 1.00 0.00 N ATOM 721 CA PRO A 46 -5.051 -12.767 -7.758 1.00 0.00 C ATOM 722 C PRO A 46 -3.549 -12.487 -7.748 1.00 0.00 C ATOM 723 O PRO A 46 -3.002 -12.022 -6.747 1.00 0.00 O ATOM 724 CB PRO A 46 -5.339 -14.198 -7.267 1.00 0.00 C ATOM 725 CG PRO A 46 -5.942 -14.920 -8.430 1.00 0.00 C ATOM 726 CD PRO A 46 -6.534 -13.864 -9.315 1.00 0.00 C ATOM 0 HA PRO A 46 -5.486 -11.994 -7.125 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.424 -14.688 -6.936 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.021 -14.189 -6.417 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.187 -15.497 -8.964 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.706 -15.623 -8.098 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.566 -14.177 -10.359 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.555 -13.615 -9.026 1.00 0.00 H new ATOM 734 N GLU A 47 -2.886 -12.773 -8.866 1.00 0.00 N ATOM 735 CA GLU A 47 -1.450 -12.550 -8.978 1.00 0.00 C ATOM 736 C GLU A 47 -1.142 -11.305 -9.811 1.00 0.00 C ATOM 737 O GLU A 47 -0.236 -10.541 -9.482 1.00 0.00 O ATOM 738 CB GLU A 47 -0.772 -13.774 -9.600 1.00 0.00 C ATOM 739 CG GLU A 47 -0.168 -14.721 -8.575 1.00 0.00 C ATOM 740 CD GLU A 47 1.184 -15.255 -9.001 1.00 0.00 C ATOM 741 OE1 GLU A 47 1.274 -15.832 -10.105 1.00 0.00 O ATOM 742 OE2 GLU A 47 2.155 -15.096 -8.231 1.00 0.00 O ATOM 0 H GLU A 47 -3.320 -13.159 -9.704 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.058 -12.391 -7.973 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.502 -14.318 -10.199 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.012 -13.439 -10.279 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.066 -14.202 -7.622 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.849 -15.556 -8.411 1.00 0.00 H new ATOM 749 N GLN A 48 -1.893 -11.109 -10.893 1.00 0.00 N ATOM 750 CA GLN A 48 -1.682 -9.958 -11.768 1.00 0.00 C ATOM 751 C GLN A 48 -2.325 -8.692 -11.203 1.00 0.00 C ATOM 752 O GLN A 48 -2.142 -7.603 -11.744 1.00 0.00 O ATOM 753 CB GLN A 48 -2.241 -10.246 -13.162 1.00 0.00 C ATOM 754 CG GLN A 48 -1.268 -10.985 -14.066 1.00 0.00 C ATOM 755 CD GLN A 48 -0.328 -10.050 -14.801 1.00 0.00 C ATOM 756 OE1 GLN A 48 -0.631 -9.586 -15.900 1.00 0.00 O ATOM 757 NE2 GLN A 48 0.819 -9.768 -14.195 1.00 0.00 N ATOM 0 H GLN A 48 -2.649 -11.729 -11.184 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.607 -9.788 -11.834 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.153 -10.835 -13.064 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.520 -9.304 -13.635 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.684 -11.685 -13.469 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.828 -11.575 -14.792 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.028 -10.176 -13.284 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.491 -9.143 -14.641 1.00 0.00 H new ATOM 766 N ALA A 49 -3.077 -8.836 -10.116 1.00 0.00 N ATOM 767 CA ALA A 49 -3.735 -7.695 -9.495 1.00 0.00 C ATOM 768 C ALA A 49 -2.713 -6.676 -9.018 1.00 0.00 C ATOM 769 O ALA A 49 -2.756 -5.508 -9.406 1.00 0.00 O ATOM 770 CB ALA A 49 -4.613 -8.156 -8.343 1.00 0.00 C ATOM 0 H ALA A 49 -3.244 -9.728 -9.650 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.367 -7.213 -10.241 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.099 -7.293 -7.888 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.371 -8.844 -8.716 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.999 -8.662 -7.598 1.00 0.00 H new ATOM 776 N VAL A 50 -1.785 -7.125 -8.182 1.00 0.00 N ATOM 777 CA VAL A 50 -0.744 -6.244 -7.664 1.00 0.00 C ATOM 778 C VAL A 50 0.347 -6.024 -8.703 1.00 0.00 C ATOM 779 O VAL A 50 0.759 -4.895 -8.951 1.00 0.00 O ATOM 780 CB VAL A 50 -0.093 -6.783 -6.365 1.00 0.00 C ATOM 781 CG1 VAL A 50 -0.106 -8.305 -6.320 1.00 0.00 C ATOM 782 CG2 VAL A 50 1.331 -6.256 -6.229 1.00 0.00 C ATOM 0 H VAL A 50 -1.731 -8.088 -7.849 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.238 -5.301 -7.431 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.685 -6.425 -5.523 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.359 -8.646 -5.395 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.135 -8.661 -6.362 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.449 -8.699 -7.171 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.776 -6.643 -5.312 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.923 -6.581 -7.085 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.314 -5.167 -6.193 1.00 0.00 H new ATOM 792 N VAL A 51 0.822 -7.111 -9.298 1.00 0.00 N ATOM 793 CA VAL A 51 1.876 -7.030 -10.300 1.00 0.00 C ATOM 794 C VAL A 51 1.525 -6.017 -11.381 1.00 0.00 C ATOM 795 O VAL A 51 2.399 -5.323 -11.901 1.00 0.00 O ATOM 796 CB VAL A 51 2.149 -8.402 -10.950 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.331 -8.319 -11.906 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.392 -9.461 -9.884 1.00 0.00 C ATOM 0 H VAL A 51 0.494 -8.057 -9.104 1.00 0.00 H new ATOM 0 HA VAL A 51 2.780 -6.705 -9.784 1.00 0.00 H new ATOM 0 HB VAL A 51 1.268 -8.690 -11.523 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.506 -9.297 -12.353 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.114 -7.595 -12.691 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.220 -8.006 -11.359 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.583 -10.422 -10.362 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.255 -9.179 -9.281 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.513 -9.542 -9.245 1.00 0.00 H new ATOM 808 N ARG A 52 0.244 -5.938 -11.719 1.00 0.00 N ATOM 809 CA ARG A 52 -0.208 -5.008 -12.739 1.00 0.00 C ATOM 810 C ARG A 52 -0.305 -3.588 -12.189 1.00 0.00 C ATOM 811 O ARG A 52 0.255 -2.652 -12.761 1.00 0.00 O ATOM 812 CB ARG A 52 -1.559 -5.445 -13.307 1.00 0.00 C ATOM 813 CG ARG A 52 -1.995 -4.646 -14.524 1.00 0.00 C ATOM 814 CD ARG A 52 -2.939 -3.516 -14.143 1.00 0.00 C ATOM 815 NE ARG A 52 -2.544 -2.246 -14.747 1.00 0.00 N ATOM 816 CZ ARG A 52 -3.360 -1.201 -14.875 1.00 0.00 C ATOM 817 NH1 ARG A 52 -4.613 -1.271 -14.443 1.00 0.00 N ATOM 818 NH2 ARG A 52 -2.920 -0.083 -15.435 1.00 0.00 N ATOM 0 H ARG A 52 -0.495 -6.505 -11.303 1.00 0.00 H new ATOM 0 HA ARG A 52 0.530 -5.013 -13.541 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.507 -6.500 -13.575 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.318 -5.351 -12.530 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.118 -4.235 -15.024 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.487 -5.307 -15.237 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.952 -3.768 -14.458 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.959 -3.411 -13.058 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.588 -2.154 -15.091 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.956 -2.128 -14.010 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.233 -0.467 -14.544 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.958 -0.024 -15.767 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.544 0.718 -15.534 1.00 0.00 H new ATOM 832 N GLU A 53 -1.011 -3.434 -11.073 1.00 0.00 N ATOM 833 CA GLU A 53 -1.168 -2.125 -10.450 1.00 0.00 C ATOM 834 C GLU A 53 0.169 -1.614 -9.925 1.00 0.00 C ATOM 835 O GLU A 53 0.359 -0.412 -9.748 1.00 0.00 O ATOM 836 CB GLU A 53 -2.182 -2.195 -9.308 1.00 0.00 C ATOM 837 CG GLU A 53 -3.620 -2.334 -9.776 1.00 0.00 C ATOM 838 CD GLU A 53 -4.050 -1.210 -10.698 1.00 0.00 C ATOM 839 OE1 GLU A 53 -3.618 -1.204 -11.870 1.00 0.00 O ATOM 840 OE2 GLU A 53 -4.823 -0.339 -10.248 1.00 0.00 O ATOM 0 H GLU A 53 -1.481 -4.196 -10.584 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.534 -1.432 -11.207 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.935 -3.040 -8.666 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.093 -1.295 -8.699 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.739 -3.287 -10.292 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.279 -2.358 -8.908 1.00 0.00 H new ATOM 847 N LEU A 54 1.092 -2.538 -9.678 1.00 0.00 N ATOM 848 CA LEU A 54 2.411 -2.190 -9.174 1.00 0.00 C ATOM 849 C LEU A 54 3.114 -1.228 -10.124 1.00 0.00 C ATOM 850 O LEU A 54 3.699 -0.235 -9.694 1.00 0.00 O ATOM 851 CB LEU A 54 3.250 -3.450 -8.986 1.00 0.00 C ATOM 852 CG LEU A 54 4.657 -3.197 -8.464 1.00 0.00 C ATOM 853 CD1 LEU A 54 4.652 -3.070 -6.950 1.00 0.00 C ATOM 854 CD2 LEU A 54 5.600 -4.302 -8.910 1.00 0.00 C ATOM 0 H LEU A 54 0.947 -3.538 -9.820 1.00 0.00 H new ATOM 0 HA LEU A 54 2.292 -1.696 -8.210 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.733 -4.116 -8.295 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.318 -3.972 -9.940 1.00 0.00 H new ATOM 0 HG LEU A 54 5.014 -2.256 -8.882 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.667 -2.889 -6.597 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.012 -2.238 -6.657 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.273 -3.992 -6.509 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.601 -4.103 -8.527 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.248 -5.259 -8.525 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.629 -4.338 -9.999 1.00 0.00 H new ATOM 866 N GLN A 55 3.035 -1.516 -11.418 1.00 0.00 N ATOM 867 CA GLN A 55 3.649 -0.661 -12.425 1.00 0.00 C ATOM 868 C GLN A 55 2.825 0.611 -12.598 1.00 0.00 C ATOM 869 O GLN A 55 3.352 1.666 -12.953 1.00 0.00 O ATOM 870 CB GLN A 55 3.764 -1.404 -13.759 1.00 0.00 C ATOM 871 CG GLN A 55 5.200 -1.666 -14.185 1.00 0.00 C ATOM 872 CD GLN A 55 5.588 -3.127 -14.060 1.00 0.00 C ATOM 873 OE1 GLN A 55 5.880 -3.612 -12.966 1.00 0.00 O ATOM 874 NE2 GLN A 55 5.593 -3.836 -15.182 1.00 0.00 N ATOM 0 H GLN A 55 2.553 -2.333 -11.793 1.00 0.00 H new ATOM 0 HA GLN A 55 4.652 -0.392 -12.093 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.237 -2.355 -13.683 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.264 -0.823 -14.534 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.333 -1.346 -15.218 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.872 -1.062 -13.575 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.344 -3.393 -16.066 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.846 -4.824 -15.160 1.00 0.00 H new ATOM 883 N GLU A 56 1.526 0.496 -12.337 1.00 0.00 N ATOM 884 CA GLU A 56 0.612 1.623 -12.450 1.00 0.00 C ATOM 885 C GLU A 56 0.748 2.555 -11.258 1.00 0.00 C ATOM 886 O GLU A 56 0.470 3.748 -11.359 1.00 0.00 O ATOM 887 CB GLU A 56 -0.830 1.124 -12.521 1.00 0.00 C ATOM 888 CG GLU A 56 -1.808 2.151 -13.066 1.00 0.00 C ATOM 889 CD GLU A 56 -2.773 2.658 -12.010 1.00 0.00 C ATOM 890 OE1 GLU A 56 -3.043 1.914 -11.043 1.00 0.00 O ATOM 891 OE2 GLU A 56 -3.259 3.800 -12.151 1.00 0.00 O ATOM 0 H GLU A 56 1.082 -0.374 -12.044 1.00 0.00 H new ATOM 0 HA GLU A 56 0.865 2.167 -13.360 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.866 0.233 -13.148 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.151 0.824 -11.523 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.252 2.993 -13.479 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.373 1.709 -13.887 1.00 0.00 H new ATOM 898 N GLU A 57 1.150 1.999 -10.122 1.00 0.00 N ATOM 899 CA GLU A 57 1.289 2.786 -8.908 1.00 0.00 C ATOM 900 C GLU A 57 2.753 3.005 -8.521 1.00 0.00 C ATOM 901 O GLU A 57 3.047 3.555 -7.460 1.00 0.00 O ATOM 902 CB GLU A 57 0.510 2.148 -7.762 1.00 0.00 C ATOM 903 CG GLU A 57 -0.837 2.813 -7.533 1.00 0.00 C ATOM 904 CD GLU A 57 -1.954 2.156 -8.319 1.00 0.00 C ATOM 905 OE1 GLU A 57 -1.934 0.916 -8.456 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.847 2.885 -8.798 1.00 0.00 O ATOM 0 H GLU A 57 1.384 1.012 -10.018 1.00 0.00 H new ATOM 0 HA GLU A 57 0.867 3.770 -9.112 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.358 1.090 -7.975 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.101 2.207 -6.848 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.078 2.780 -6.470 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.771 3.864 -7.813 1.00 0.00 H new ATOM 913 N VAL A 58 3.665 2.588 -9.394 1.00 0.00 N ATOM 914 CA VAL A 58 5.093 2.756 -9.154 1.00 0.00 C ATOM 915 C VAL A 58 5.755 3.312 -10.403 1.00 0.00 C ATOM 916 O VAL A 58 6.564 4.239 -10.336 1.00 0.00 O ATOM 917 CB VAL A 58 5.769 1.420 -8.773 1.00 0.00 C ATOM 918 CG1 VAL A 58 7.248 1.623 -8.489 1.00 0.00 C ATOM 919 CG2 VAL A 58 5.088 0.794 -7.572 1.00 0.00 C ATOM 0 H VAL A 58 3.439 2.130 -10.277 1.00 0.00 H new ATOM 0 HA VAL A 58 5.213 3.448 -8.320 1.00 0.00 H new ATOM 0 HB VAL A 58 5.669 0.742 -9.621 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.702 0.668 -8.223 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.738 2.023 -9.377 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.367 2.324 -7.663 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.581 -0.145 -7.323 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.151 1.474 -6.722 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.041 0.603 -7.806 1.00 0.00 H new ATOM 929 N GLY A 59 5.379 2.753 -11.549 1.00 0.00 N ATOM 930 CA GLY A 59 5.908 3.203 -12.820 1.00 0.00 C ATOM 931 C GLY A 59 7.378 2.908 -13.021 1.00 0.00 C ATOM 932 O GLY A 59 7.804 2.555 -14.120 1.00 0.00 O ATOM 0 H GLY A 59 4.709 1.987 -11.618 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.342 2.732 -13.623 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.750 4.278 -12.906 1.00 0.00 H new ATOM 936 N ILE A 60 8.152 3.059 -11.966 1.00 0.00 N ATOM 937 CA ILE A 60 9.582 2.815 -12.027 1.00 0.00 C ATOM 938 C ILE A 60 9.878 1.323 -12.006 1.00 0.00 C ATOM 939 O ILE A 60 8.966 0.496 -12.025 1.00 0.00 O ATOM 940 CB ILE A 60 10.356 3.485 -10.868 1.00 0.00 C ATOM 941 CG1 ILE A 60 9.478 3.739 -9.646 1.00 0.00 C ATOM 942 CG2 ILE A 60 11.006 4.778 -11.333 1.00 0.00 C ATOM 943 CD1 ILE A 60 10.230 3.592 -8.339 1.00 0.00 C ATOM 0 H ILE A 60 7.814 3.351 -11.049 1.00 0.00 H new ATOM 0 HA ILE A 60 9.919 3.257 -12.965 1.00 0.00 H new ATOM 0 HB ILE A 60 11.134 2.785 -10.563 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.060 4.744 -9.708 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.639 3.043 -9.657 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.545 5.233 -10.502 1.00 0.00 H new ATOM 0 HG22 ILE A 60 11.702 4.564 -12.144 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.237 5.465 -11.686 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.553 3.784 -7.506 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.625 2.579 -8.259 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.053 4.306 -8.310 1.00 0.00 H new ATOM 955 N THR A 61 11.162 0.990 -11.978 1.00 0.00 N ATOM 956 CA THR A 61 11.597 -0.385 -11.963 1.00 0.00 C ATOM 957 C THR A 61 12.269 -0.722 -10.640 1.00 0.00 C ATOM 958 O THR A 61 13.480 -0.556 -10.493 1.00 0.00 O ATOM 959 CB THR A 61 12.584 -0.577 -13.097 1.00 0.00 C ATOM 960 OG1 THR A 61 13.318 0.614 -13.324 1.00 0.00 O ATOM 961 CG2 THR A 61 11.926 -0.963 -14.401 1.00 0.00 C ATOM 0 H THR A 61 11.923 1.669 -11.965 1.00 0.00 H new ATOM 0 HA THR A 61 10.737 -1.043 -12.084 1.00 0.00 H new ATOM 0 HB THR A 61 13.236 -1.392 -12.782 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.952 0.473 -14.058 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.688 -1.085 -15.171 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.387 -1.901 -14.273 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.228 -0.182 -14.702 1.00 0.00 H new ATOM 969 N PRO A 62 11.494 -1.163 -9.640 1.00 0.00 N ATOM 970 CA PRO A 62 11.997 -1.477 -8.324 1.00 0.00 C ATOM 971 C PRO A 62 11.976 -2.961 -8.001 1.00 0.00 C ATOM 972 O PRO A 62 11.015 -3.654 -8.339 1.00 0.00 O ATOM 973 CB PRO A 62 10.934 -0.779 -7.493 1.00 0.00 C ATOM 974 CG PRO A 62 9.658 -1.116 -8.206 1.00 0.00 C ATOM 975 CD PRO A 62 10.033 -1.339 -9.657 1.00 0.00 C ATOM 0 HA PRO A 62 13.036 -1.183 -8.175 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.927 -1.140 -6.465 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.099 0.298 -7.452 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.198 -2.008 -7.781 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.933 -0.307 -8.111 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.748 -2.333 -10.001 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.546 -0.621 -10.317 1.00 0.00 H new ATOM 983 N GLN A 63 12.986 -3.440 -7.279 1.00 0.00 N ATOM 984 CA GLN A 63 12.972 -4.828 -6.862 1.00 0.00 C ATOM 985 C GLN A 63 11.956 -4.902 -5.742 1.00 0.00 C ATOM 986 O GLN A 63 12.290 -4.843 -4.558 1.00 0.00 O ATOM 987 CB GLN A 63 14.352 -5.285 -6.385 1.00 0.00 C ATOM 988 CG GLN A 63 15.483 -4.817 -7.284 1.00 0.00 C ATOM 989 CD GLN A 63 16.852 -5.111 -6.701 1.00 0.00 C ATOM 990 OE1 GLN A 63 17.223 -4.571 -5.659 1.00 0.00 O ATOM 991 NE2 GLN A 63 17.609 -5.970 -7.371 1.00 0.00 N ATOM 0 H GLN A 63 13.799 -2.902 -6.981 1.00 0.00 H new ATOM 0 HA GLN A 63 12.712 -5.489 -7.689 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.522 -4.912 -5.375 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.368 -6.373 -6.330 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.394 -5.303 -8.256 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.387 -3.745 -7.454 1.00 0.00 H new ATOM 0 HE21 GLN A 63 17.261 -6.394 -8.231 1.00 0.00 H new ATOM 0 HE22 GLN A 63 18.539 -6.207 -7.026 1.00 0.00 H new ATOM 1000 N HIS A 64 10.702 -4.950 -6.154 1.00 0.00 N ATOM 1001 CA HIS A 64 9.576 -4.938 -5.238 1.00 0.00 C ATOM 1002 C HIS A 64 8.702 -6.164 -5.428 1.00 0.00 C ATOM 1003 O HIS A 64 8.341 -6.514 -6.551 1.00 0.00 O ATOM 1004 CB HIS A 64 8.791 -3.646 -5.505 1.00 0.00 C ATOM 1005 CG HIS A 64 7.389 -3.580 -4.949 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.806 -2.395 -4.548 1.00 0.00 N ATOM 1007 CD2 HIS A 64 6.437 -4.535 -4.772 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.566 -2.622 -4.150 1.00 0.00 C ATOM 1009 NE2 HIS A 64 5.319 -3.911 -4.277 1.00 0.00 N ATOM 0 H HIS A 64 10.435 -4.999 -7.137 1.00 0.00 H new ATOM 0 HA HIS A 64 9.922 -4.966 -4.205 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.360 -2.811 -5.095 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.737 -3.497 -6.583 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.541 -5.589 -4.982 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.874 -1.879 -3.783 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.439 -4.371 -4.045 1.00 0.00 H new ATOM 1018 N PHE A 65 8.365 -6.812 -4.319 1.00 0.00 N ATOM 1019 CA PHE A 65 7.537 -8.003 -4.354 1.00 0.00 C ATOM 1020 C PHE A 65 7.307 -8.534 -2.931 1.00 0.00 C ATOM 1021 O PHE A 65 6.991 -7.766 -2.024 1.00 0.00 O ATOM 1022 CB PHE A 65 8.224 -9.048 -5.234 1.00 0.00 C ATOM 1023 CG PHE A 65 7.273 -9.973 -5.946 1.00 0.00 C ATOM 1024 CD1 PHE A 65 6.071 -10.347 -5.364 1.00 0.00 C ATOM 1025 CD2 PHE A 65 7.583 -10.462 -7.204 1.00 0.00 C ATOM 1026 CE1 PHE A 65 5.197 -11.190 -6.025 1.00 0.00 C ATOM 1027 CE2 PHE A 65 6.715 -11.308 -7.869 1.00 0.00 C ATOM 1028 CZ PHE A 65 5.520 -11.671 -7.279 1.00 0.00 C ATOM 0 H PHE A 65 8.656 -6.528 -3.383 1.00 0.00 H new ATOM 0 HA PHE A 65 6.559 -7.769 -4.775 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.839 -8.536 -5.974 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.897 -9.642 -4.616 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.815 -9.975 -4.383 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.515 -10.179 -7.671 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.263 -11.472 -5.562 1.00 0.00 H new ATOM 0 HE2 PHE A 65 6.971 -11.684 -8.848 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.839 -12.330 -7.797 1.00 0.00 H new ATOM 1038 N SER A 66 7.470 -9.842 -2.744 1.00 0.00 N ATOM 1039 CA SER A 66 7.296 -10.477 -1.441 1.00 0.00 C ATOM 1040 C SER A 66 5.926 -10.180 -0.847 1.00 0.00 C ATOM 1041 O SER A 66 5.202 -9.311 -1.328 1.00 0.00 O ATOM 1042 CB SER A 66 8.396 -10.023 -0.479 1.00 0.00 C ATOM 1043 OG SER A 66 9.466 -9.409 -1.177 1.00 0.00 O ATOM 0 H SER A 66 7.726 -10.489 -3.490 1.00 0.00 H new ATOM 0 HA SER A 66 7.368 -11.555 -1.588 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.982 -9.323 0.246 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.769 -10.880 0.082 1.00 0.00 H new ATOM 0 HG SER A 66 9.423 -8.438 -1.053 1.00 0.00 H new ATOM 1049 N LEU A 67 5.579 -10.913 0.208 1.00 0.00 N ATOM 1050 CA LEU A 67 4.298 -10.735 0.876 1.00 0.00 C ATOM 1051 C LEU A 67 4.482 -10.631 2.387 1.00 0.00 C ATOM 1052 O LEU A 67 4.796 -11.618 3.054 1.00 0.00 O ATOM 1053 CB LEU A 67 3.360 -11.898 0.540 1.00 0.00 C ATOM 1054 CG LEU A 67 2.041 -11.914 1.316 1.00 0.00 C ATOM 1055 CD1 LEU A 67 0.955 -12.605 0.507 1.00 0.00 C ATOM 1056 CD2 LEU A 67 2.228 -12.599 2.661 1.00 0.00 C ATOM 0 H LEU A 67 6.170 -11.636 0.617 1.00 0.00 H new ATOM 0 HA LEU A 67 3.854 -9.805 0.519 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.136 -11.867 -0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.886 -12.834 0.728 1.00 0.00 H new ATOM 0 HG LEU A 67 1.730 -10.885 1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.024 -12.607 1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.806 -12.072 -0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.255 -13.632 0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.282 -12.603 3.202 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.560 -13.625 2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.976 -12.060 3.243 1.00 0.00 H new ATOM 1068 N PHE A 68 4.283 -9.430 2.922 1.00 0.00 N ATOM 1069 CA PHE A 68 4.423 -9.198 4.354 1.00 0.00 C ATOM 1070 C PHE A 68 3.201 -9.732 5.098 1.00 0.00 C ATOM 1071 O PHE A 68 3.324 -10.384 6.134 1.00 0.00 O ATOM 1072 CB PHE A 68 4.626 -7.695 4.624 1.00 0.00 C ATOM 1073 CG PHE A 68 3.749 -7.111 5.704 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.403 -6.874 5.471 1.00 0.00 C ATOM 1075 CD2 PHE A 68 4.274 -6.792 6.945 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.599 -6.331 6.453 1.00 0.00 C ATOM 1077 CE2 PHE A 68 3.472 -6.249 7.934 1.00 0.00 C ATOM 1078 CZ PHE A 68 2.132 -6.018 7.686 1.00 0.00 C ATOM 0 H PHE A 68 4.024 -8.603 2.384 1.00 0.00 H new ATOM 0 HA PHE A 68 5.299 -9.733 4.721 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.668 -7.529 4.896 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.447 -7.149 3.698 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.978 -7.117 4.508 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.321 -6.969 7.143 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.552 -6.151 6.256 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.893 -6.006 8.898 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.504 -5.594 8.455 1.00 0.00 H new ATOM 1088 N GLU A 69 2.025 -9.448 4.553 1.00 0.00 N ATOM 1089 CA GLU A 69 0.772 -9.892 5.148 1.00 0.00 C ATOM 1090 C GLU A 69 -0.391 -9.604 4.208 1.00 0.00 C ATOM 1091 O GLU A 69 -0.302 -8.726 3.352 1.00 0.00 O ATOM 1092 CB GLU A 69 0.545 -9.198 6.492 1.00 0.00 C ATOM 1093 CG GLU A 69 -0.121 -10.086 7.531 1.00 0.00 C ATOM 1094 CD GLU A 69 -0.861 -9.291 8.589 1.00 0.00 C ATOM 1095 OE1 GLU A 69 -0.200 -8.783 9.519 1.00 0.00 O ATOM 1096 OE2 GLU A 69 -2.101 -9.178 8.488 1.00 0.00 O ATOM 0 H GLU A 69 1.913 -8.909 3.694 1.00 0.00 H new ATOM 0 HA GLU A 69 0.831 -10.968 5.315 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.504 -8.855 6.881 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.071 -8.312 6.335 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.819 -10.760 7.034 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.635 -10.707 8.011 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.481 -10.342 4.371 1.00 0.00 N ATOM 1104 CA LYS A 70 -2.659 -10.153 3.534 1.00 0.00 C ATOM 1105 C LYS A 70 -3.934 -10.344 4.349 1.00 0.00 C ATOM 1106 O LYS A 70 -4.290 -11.468 4.706 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.638 -11.133 2.359 1.00 0.00 C ATOM 1108 CG LYS A 70 -2.272 -12.553 2.758 1.00 0.00 C ATOM 1109 CD LYS A 70 -2.658 -13.551 1.678 1.00 0.00 C ATOM 1110 CE LYS A 70 -4.061 -14.092 1.895 1.00 0.00 C ATOM 1111 NZ LYS A 70 -5.074 -13.002 1.951 1.00 0.00 N ATOM 0 H LYS A 70 -1.574 -11.076 5.073 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.643 -9.134 3.146 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.619 -11.139 1.884 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.926 -10.779 1.614 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.200 -12.615 2.946 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.774 -12.811 3.690 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.599 -13.072 0.701 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.946 -14.376 1.672 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.313 -14.781 1.089 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.090 -14.663 2.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.027 -13.416 1.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.908 -12.417 2.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.995 -12.411 1.099 1.00 0.00 H new ATOM 1125 N LEU A 71 -4.613 -9.243 4.649 1.00 0.00 N ATOM 1126 CA LEU A 71 -5.842 -9.294 5.430 1.00 0.00 C ATOM 1127 C LEU A 71 -7.072 -9.285 4.528 1.00 0.00 C ATOM 1128 O LEU A 71 -7.243 -8.390 3.701 1.00 0.00 O ATOM 1129 CB LEU A 71 -5.896 -8.114 6.400 1.00 0.00 C ATOM 1130 CG LEU A 71 -6.445 -8.450 7.787 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -5.523 -7.919 8.875 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -7.850 -7.891 7.957 1.00 0.00 C ATOM 0 H LEU A 71 -4.333 -8.305 4.363 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.844 -10.226 5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.891 -7.707 6.511 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.512 -7.329 5.961 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.493 -9.535 7.880 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.933 -8.169 9.853 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.537 -8.371 8.768 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.438 -6.836 8.783 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.223 -8.141 8.950 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.827 -6.808 7.840 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.507 -8.324 7.203 1.00 0.00 H new ATOM 1144 N GLU A 72 -7.927 -10.288 4.699 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.145 -10.403 3.910 1.00 0.00 C ATOM 1146 C GLU A 72 -10.367 -10.465 4.823 1.00 0.00 C ATOM 1147 O GLU A 72 -10.584 -11.456 5.522 1.00 0.00 O ATOM 1148 CB GLU A 72 -9.074 -11.649 3.019 1.00 0.00 C ATOM 1149 CG GLU A 72 -10.428 -12.133 2.524 1.00 0.00 C ATOM 1150 CD GLU A 72 -10.322 -12.991 1.279 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -9.734 -12.521 0.282 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -10.827 -14.133 1.300 1.00 0.00 O ATOM 0 H GLU A 72 -7.796 -11.035 5.381 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.239 -9.523 3.274 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.440 -11.433 2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.593 -12.454 3.575 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.916 -12.704 3.314 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.063 -11.272 2.314 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.162 -9.401 4.814 1.00 0.00 N ATOM 1160 CA TYR A 73 -12.360 -9.333 5.643 1.00 0.00 C ATOM 1161 C TYR A 73 -13.521 -8.716 4.869 1.00 0.00 C ATOM 1162 O TYR A 73 -13.317 -7.877 3.992 1.00 0.00 O ATOM 1163 CB TYR A 73 -12.085 -8.516 6.906 1.00 0.00 C ATOM 1164 CG TYR A 73 -11.438 -7.176 6.631 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -10.144 -7.097 6.132 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -12.121 -5.990 6.872 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -9.549 -5.876 5.880 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -11.534 -4.765 6.622 1.00 0.00 C ATOM 1169 CZ TYR A 73 -10.248 -4.713 6.127 1.00 0.00 C ATOM 1170 OH TYR A 73 -9.659 -3.495 5.876 1.00 0.00 O ATOM 0 H TYR A 73 -10.998 -8.573 4.241 1.00 0.00 H new ATOM 0 HA TYR A 73 -12.634 -10.349 5.927 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -13.024 -8.355 7.436 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.440 -9.093 7.569 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.594 -8.006 5.938 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -13.128 -6.027 7.261 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.542 -5.832 5.492 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -12.079 -3.853 6.813 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.285 -2.776 6.102 1.00 0.00 H new ATOM 1180 N GLU A 74 -14.739 -9.132 5.200 1.00 0.00 N ATOM 1181 CA GLU A 74 -15.927 -8.610 4.534 1.00 0.00 C ATOM 1182 C GLU A 74 -16.876 -7.957 5.530 1.00 0.00 C ATOM 1183 O GLU A 74 -17.334 -8.591 6.482 1.00 0.00 O ATOM 1184 CB GLU A 74 -16.658 -9.716 3.768 1.00 0.00 C ATOM 1185 CG GLU A 74 -16.739 -11.035 4.518 1.00 0.00 C ATOM 1186 CD GLU A 74 -16.887 -12.225 3.591 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -17.865 -12.256 2.816 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -16.023 -13.127 3.640 1.00 0.00 O ATOM 0 H GLU A 74 -14.929 -9.826 5.923 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.594 -7.853 3.824 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.668 -9.378 3.537 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.152 -9.881 2.817 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.841 -11.160 5.123 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.585 -11.007 5.205 1.00 0.00 H new ATOM 1195 N PHE A 75 -17.166 -6.687 5.292 1.00 0.00 N ATOM 1196 CA PHE A 75 -18.060 -5.924 6.141 1.00 0.00 C ATOM 1197 C PHE A 75 -19.512 -6.146 5.724 1.00 0.00 C ATOM 1198 O PHE A 75 -19.776 -6.618 4.620 1.00 0.00 O ATOM 1199 CB PHE A 75 -17.705 -4.442 6.048 1.00 0.00 C ATOM 1200 CG PHE A 75 -16.801 -3.965 7.149 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -15.448 -4.271 7.131 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -17.300 -3.212 8.200 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -14.613 -3.835 8.142 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -16.469 -2.775 9.213 1.00 0.00 C ATOM 1205 CZ PHE A 75 -15.123 -3.086 9.184 1.00 0.00 C ATOM 0 H PHE A 75 -16.787 -6.159 4.505 1.00 0.00 H new ATOM 0 HA PHE A 75 -17.946 -6.259 7.172 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -17.224 -4.253 5.088 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -18.624 -3.856 6.065 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -15.043 -4.856 6.318 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -18.351 -2.964 8.227 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -13.561 -4.080 8.117 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -16.871 -2.191 10.027 1.00 0.00 H new ATOM 0 HZ PHE A 75 -14.471 -2.744 9.974 1.00 0.00 H new ATOM 1215 N PRO A 76 -20.471 -5.807 6.603 1.00 0.00 N ATOM 1216 CA PRO A 76 -21.900 -5.965 6.325 1.00 0.00 C ATOM 1217 C PRO A 76 -22.299 -5.349 4.989 1.00 0.00 C ATOM 1218 O PRO A 76 -22.796 -4.223 4.935 1.00 0.00 O ATOM 1219 CB PRO A 76 -22.590 -5.230 7.487 1.00 0.00 C ATOM 1220 CG PRO A 76 -21.508 -4.476 8.187 1.00 0.00 C ATOM 1221 CD PRO A 76 -20.240 -5.236 7.929 1.00 0.00 C ATOM 0 HA PRO A 76 -22.182 -7.015 6.252 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -23.363 -4.555 7.119 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -23.076 -5.934 8.162 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -21.435 -3.456 7.809 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -21.710 -4.406 9.256 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -19.367 -4.583 7.942 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -20.072 -6.009 8.679 1.00 0.00 H new ATOM 1229 N ASP A 77 -22.068 -6.106 3.920 1.00 0.00 N ATOM 1230 CA ASP A 77 -22.385 -5.682 2.549 1.00 0.00 C ATOM 1231 C ASP A 77 -21.212 -4.941 1.907 1.00 0.00 C ATOM 1232 O ASP A 77 -21.366 -4.318 0.856 1.00 0.00 O ATOM 1233 CB ASP A 77 -23.642 -4.803 2.509 1.00 0.00 C ATOM 1234 CG ASP A 77 -24.772 -5.367 3.348 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -25.143 -6.540 3.133 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -25.286 -4.635 4.221 1.00 0.00 O ATOM 0 H ASP A 77 -21.654 -7.036 3.975 1.00 0.00 H new ATOM 0 HA ASP A 77 -22.578 -6.588 1.975 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -23.394 -3.803 2.865 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -23.977 -4.700 1.477 1.00 0.00 H new ATOM 1241 N ARG A 78 -20.040 -5.018 2.532 1.00 0.00 N ATOM 1242 CA ARG A 78 -18.849 -4.359 2.006 1.00 0.00 C ATOM 1243 C ARG A 78 -17.630 -5.273 2.117 1.00 0.00 C ATOM 1244 O ARG A 78 -16.961 -5.306 3.150 1.00 0.00 O ATOM 1245 CB ARG A 78 -18.591 -3.048 2.753 1.00 0.00 C ATOM 1246 CG ARG A 78 -17.739 -2.060 1.973 1.00 0.00 C ATOM 1247 CD ARG A 78 -17.627 -0.725 2.693 1.00 0.00 C ATOM 1248 NE ARG A 78 -17.039 -0.862 4.025 1.00 0.00 N ATOM 1249 CZ ARG A 78 -16.450 0.135 4.684 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -16.364 1.342 4.140 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -15.946 -0.075 5.894 1.00 0.00 N ATOM 0 H ARG A 78 -19.890 -5.529 3.402 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.021 -4.138 0.953 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.547 -2.581 2.992 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -18.099 -3.270 3.700 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -16.743 -2.477 1.822 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -18.173 -1.906 0.985 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -17.019 -0.043 2.098 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -18.617 -0.277 2.779 1.00 0.00 H new ATOM 0 HE ARG A 78 -17.082 -1.776 4.477 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -16.750 1.512 3.211 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.912 2.100 4.650 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -16.010 -1.000 6.319 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.495 0.688 6.398 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.346 -6.014 1.049 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.208 -6.927 1.033 1.00 0.00 C ATOM 1267 C HIS A 79 -14.915 -6.181 0.727 1.00 0.00 C ATOM 1268 O HIS A 79 -14.711 -5.706 -0.389 1.00 0.00 O ATOM 1269 CB HIS A 79 -16.429 -8.030 -0.006 1.00 0.00 C ATOM 1270 CG HIS A 79 -15.920 -9.370 0.426 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -14.654 -9.566 0.938 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -16.513 -10.587 0.421 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -14.490 -10.844 1.227 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -15.604 -11.485 0.924 1.00 0.00 N ATOM 0 H HIS A 79 -17.888 -6.000 0.185 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.122 -7.377 2.022 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -17.495 -8.107 -0.221 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -15.936 -7.746 -0.936 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -17.515 -10.810 0.084 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -13.597 -11.289 1.641 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -15.763 -12.485 1.044 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.044 -6.079 1.726 1.00 0.00 N ATOM 1284 CA ILE A 80 -12.776 -5.391 1.562 1.00 0.00 C ATOM 1285 C ILE A 80 -11.608 -6.366 1.680 1.00 0.00 C ATOM 1286 O ILE A 80 -11.403 -6.985 2.723 1.00 0.00 O ATOM 1287 CB ILE A 80 -12.617 -4.263 2.606 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -11.167 -3.786 2.683 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -13.085 -4.734 3.972 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -10.719 -3.013 1.465 1.00 0.00 C ATOM 0 H ILE A 80 -14.197 -6.466 2.657 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.770 -4.950 0.565 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.237 -3.424 2.290 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -11.046 -3.158 3.566 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.516 -4.650 2.815 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.966 -3.927 4.695 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -14.135 -5.021 3.918 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.490 -5.592 4.284 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.680 -2.707 1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.807 -3.644 0.581 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.346 -2.130 1.344 1.00 0.00 H new ATOM 1302 N THR A 81 -10.839 -6.481 0.607 1.00 0.00 N ATOM 1303 CA THR A 81 -9.680 -7.360 0.587 1.00 0.00 C ATOM 1304 C THR A 81 -8.404 -6.529 0.520 1.00 0.00 C ATOM 1305 O THR A 81 -8.202 -5.774 -0.427 1.00 0.00 O ATOM 1306 CB THR A 81 -9.757 -8.306 -0.612 1.00 0.00 C ATOM 1307 OG1 THR A 81 -11.099 -8.451 -1.048 1.00 0.00 O ATOM 1308 CG2 THR A 81 -9.218 -9.688 -0.321 1.00 0.00 C ATOM 0 H THR A 81 -10.998 -5.974 -0.264 1.00 0.00 H new ATOM 0 HA THR A 81 -9.669 -7.955 1.500 1.00 0.00 H new ATOM 0 HB THR A 81 -9.136 -7.848 -1.382 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.221 -9.340 -1.442 1.00 0.00 H new ATOM 0 HG21 THR A 81 -9.303 -10.307 -1.214 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.171 -9.616 -0.028 1.00 0.00 H new ATOM 0 HG23 THR A 81 -9.791 -10.139 0.489 1.00 0.00 H new ATOM 1316 N LEU A 82 -7.551 -6.652 1.531 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.313 -5.883 1.562 1.00 0.00 C ATOM 1318 C LEU A 82 -5.087 -6.784 1.652 1.00 0.00 C ATOM 1319 O LEU A 82 -4.871 -7.460 2.658 1.00 0.00 O ATOM 1320 CB LEU A 82 -6.326 -4.909 2.743 1.00 0.00 C ATOM 1321 CG LEU A 82 -6.895 -3.524 2.436 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -7.060 -2.718 3.715 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -6.001 -2.784 1.453 1.00 0.00 C ATOM 0 H LEU A 82 -7.691 -7.269 2.331 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.251 -5.326 0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.906 -5.352 3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.306 -4.793 3.109 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.877 -3.651 1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.466 -1.735 3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.742 -3.238 4.388 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.091 -2.602 4.199 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.423 -1.800 1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.005 -2.669 1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.933 -3.351 0.525 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.276 -6.770 0.597 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.057 -7.567 0.563 1.00 0.00 C ATOM 1337 C TRP A 83 -1.841 -6.667 0.717 1.00 0.00 C ATOM 1338 O TRP A 83 -1.636 -5.742 -0.068 1.00 0.00 O ATOM 1339 CB TRP A 83 -2.956 -8.350 -0.748 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.026 -9.382 -0.904 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.317 -9.282 -0.485 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -3.900 -10.669 -1.518 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.006 -10.423 -0.802 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.159 -11.293 -1.437 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -2.847 -11.355 -2.131 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -5.393 -12.568 -1.944 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.081 -12.621 -2.635 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -4.344 -13.216 -2.539 1.00 0.00 C ATOM 0 H TRP A 83 -4.442 -6.216 -0.243 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.090 -8.276 1.390 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.008 -7.653 -1.584 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -1.982 -8.836 -0.799 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.737 -8.427 0.024 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -6.990 -10.597 -0.598 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -1.869 -10.904 -2.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -6.367 -13.029 -1.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -2.275 -13.160 -3.111 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.494 -14.206 -2.942 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.040 -6.942 1.735 1.00 0.00 N ATOM 1360 CA PHE A 84 0.159 -6.152 1.994 1.00 0.00 C ATOM 1361 C PHE A 84 1.413 -6.909 1.554 1.00 0.00 C ATOM 1362 O PHE A 84 1.761 -7.941 2.128 1.00 0.00 O ATOM 1363 CB PHE A 84 0.250 -5.778 3.481 1.00 0.00 C ATOM 1364 CG PHE A 84 -0.618 -4.608 3.878 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -1.833 -4.380 3.248 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.220 -3.735 4.885 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -2.630 -3.312 3.610 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -1.016 -2.665 5.247 1.00 0.00 C ATOM 1369 CZ PHE A 84 -2.221 -2.453 4.610 1.00 0.00 C ATOM 0 H PHE A 84 -1.196 -7.704 2.395 1.00 0.00 H new ATOM 0 HA PHE A 84 0.093 -5.233 1.411 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.031 -6.644 4.080 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.287 -5.546 3.723 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.160 -5.047 2.464 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.721 -3.895 5.389 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.574 -3.149 3.111 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.694 -1.994 6.030 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.843 -1.617 4.893 1.00 0.00 H new ATOM 1379 N TRP A 85 2.079 -6.391 0.523 1.00 0.00 N ATOM 1380 CA TRP A 85 3.291 -7.013 -0.012 1.00 0.00 C ATOM 1381 C TRP A 85 4.546 -6.396 0.602 1.00 0.00 C ATOM 1382 O TRP A 85 4.558 -5.216 0.950 1.00 0.00 O ATOM 1383 CB TRP A 85 3.332 -6.864 -1.535 1.00 0.00 C ATOM 1384 CG TRP A 85 2.057 -7.269 -2.211 1.00 0.00 C ATOM 1385 CD1 TRP A 85 1.052 -6.442 -2.624 1.00 0.00 C ATOM 1386 CD2 TRP A 85 1.649 -8.599 -2.555 1.00 0.00 C ATOM 1387 NE1 TRP A 85 0.045 -7.176 -3.202 1.00 0.00 N ATOM 1388 CE2 TRP A 85 0.387 -8.502 -3.172 1.00 0.00 C ATOM 1389 CE3 TRP A 85 2.228 -9.862 -2.401 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 -0.303 -9.618 -3.635 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 1.540 -10.970 -2.860 1.00 0.00 C ATOM 1392 CH2 TRP A 85 0.287 -10.841 -3.472 1.00 0.00 C ATOM 0 H TRP A 85 1.799 -5.538 0.039 1.00 0.00 H new ATOM 0 HA TRP A 85 3.268 -8.071 0.248 1.00 0.00 H new ATOM 0 HB2 TRP A 85 3.552 -5.826 -1.785 1.00 0.00 H new ATOM 0 HB3 TRP A 85 4.150 -7.467 -1.929 1.00 0.00 H new ATOM 0 HD1 TRP A 85 1.049 -5.368 -2.513 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -0.818 -6.795 -3.591 1.00 0.00 H new ATOM 0 HE3 TRP A 85 3.195 -9.970 -1.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -1.270 -9.522 -4.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 1.976 -11.951 -2.745 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -0.224 -11.726 -3.822 1.00 0.00 H new ATOM 1403 N LEU A 86 5.601 -7.201 0.738 1.00 0.00 N ATOM 1404 CA LEU A 86 6.851 -6.718 1.317 1.00 0.00 C ATOM 1405 C LEU A 86 7.875 -6.383 0.230 1.00 0.00 C ATOM 1406 O LEU A 86 8.512 -7.264 -0.345 1.00 0.00 O ATOM 1407 CB LEU A 86 7.418 -7.756 2.292 1.00 0.00 C ATOM 1408 CG LEU A 86 8.893 -7.577 2.662 1.00 0.00 C ATOM 1409 CD1 LEU A 86 9.108 -6.249 3.371 1.00 0.00 C ATOM 1410 CD2 LEU A 86 9.367 -8.732 3.532 1.00 0.00 C ATOM 0 H LEU A 86 5.614 -8.182 0.457 1.00 0.00 H new ATOM 0 HA LEU A 86 6.638 -5.800 1.865 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.826 -7.730 3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.288 -8.747 1.856 1.00 0.00 H new ATOM 0 HG LEU A 86 9.481 -7.574 1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.162 -6.139 3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.807 -5.433 2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.509 -6.222 4.282 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.417 -8.589 3.786 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.774 -8.766 4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.250 -9.669 2.988 1.00 0.00 H new ATOM 1422 N VAL A 87 8.027 -5.090 -0.023 1.00 0.00 N ATOM 1423 CA VAL A 87 8.963 -4.575 -1.020 1.00 0.00 C ATOM 1424 C VAL A 87 10.367 -4.518 -0.475 1.00 0.00 C ATOM 1425 O VAL A 87 10.560 -4.285 0.717 1.00 0.00 O ATOM 1426 CB VAL A 87 8.583 -3.170 -1.461 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.373 -2.756 -2.691 1.00 0.00 C ATOM 1428 CG2 VAL A 87 7.089 -3.095 -1.711 1.00 0.00 C ATOM 0 H VAL A 87 7.501 -4.362 0.460 1.00 0.00 H new ATOM 0 HA VAL A 87 8.917 -5.259 -1.867 1.00 0.00 H new ATOM 0 HB VAL A 87 8.834 -2.469 -0.664 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.083 -1.748 -2.987 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.439 -2.775 -2.462 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.164 -3.448 -3.507 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.823 -2.086 -2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.815 -3.804 -2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.554 -3.341 -0.794 1.00 0.00 H new ATOM 1438 N GLU A 88 11.352 -4.753 -1.331 1.00 0.00 N ATOM 1439 CA GLU A 88 12.730 -4.734 -0.861 1.00 0.00 C ATOM 1440 C GLU A 88 13.571 -3.592 -1.443 1.00 0.00 C ATOM 1441 O GLU A 88 14.550 -3.178 -0.822 1.00 0.00 O ATOM 1442 CB GLU A 88 13.411 -6.075 -1.151 1.00 0.00 C ATOM 1443 CG GLU A 88 12.470 -7.268 -1.092 1.00 0.00 C ATOM 1444 CD GLU A 88 13.177 -8.581 -1.361 1.00 0.00 C ATOM 1445 OE1 GLU A 88 14.416 -8.630 -1.216 1.00 0.00 O ATOM 1446 OE2 GLU A 88 12.490 -9.563 -1.716 1.00 0.00 O ATOM 0 H GLU A 88 11.230 -4.953 -2.324 1.00 0.00 H new ATOM 0 HA GLU A 88 12.674 -4.561 0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.868 -6.033 -2.140 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.218 -6.225 -0.433 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.000 -7.307 -0.109 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.672 -7.133 -1.822 1.00 0.00 H new ATOM 1453 N ARG A 89 13.226 -3.091 -2.627 1.00 0.00 N ATOM 1454 CA ARG A 89 14.010 -2.017 -3.234 1.00 0.00 C ATOM 1455 C ARG A 89 13.230 -1.314 -4.340 1.00 0.00 C ATOM 1456 O ARG A 89 12.259 -1.855 -4.866 1.00 0.00 O ATOM 1457 CB ARG A 89 15.327 -2.596 -3.776 1.00 0.00 C ATOM 1458 CG ARG A 89 16.058 -1.704 -4.772 1.00 0.00 C ATOM 1459 CD ARG A 89 16.738 -0.533 -4.080 1.00 0.00 C ATOM 1460 NE ARG A 89 16.933 0.598 -4.984 1.00 0.00 N ATOM 1461 CZ ARG A 89 17.784 1.594 -4.750 1.00 0.00 C ATOM 1462 NH1 ARG A 89 18.520 1.603 -3.646 1.00 0.00 N ATOM 1463 NH2 ARG A 89 17.901 2.585 -5.625 1.00 0.00 N ATOM 0 H ARG A 89 12.425 -3.403 -3.176 1.00 0.00 H new ATOM 0 HA ARG A 89 14.230 -1.269 -2.472 1.00 0.00 H new ATOM 0 HB2 ARG A 89 15.991 -2.798 -2.936 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.117 -3.553 -4.254 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.802 -2.292 -5.310 1.00 0.00 H new ATOM 0 HG3 ARG A 89 15.352 -1.329 -5.513 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.137 -0.217 -3.228 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.703 -0.854 -3.688 1.00 0.00 H new ATOM 0 HE ARG A 89 16.385 0.626 -5.844 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.435 0.843 -2.971 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.170 2.369 -3.473 1.00 0.00 H new ATOM 0 HH21 ARG A 89 17.339 2.583 -6.476 1.00 0.00 H new ATOM 0 HH22 ARG A 89 18.553 3.349 -5.446 1.00 0.00 H new ATOM 1477 N TRP A 90 13.677 -0.113 -4.704 1.00 0.00 N ATOM 1478 CA TRP A 90 13.030 0.642 -5.767 1.00 0.00 C ATOM 1479 C TRP A 90 13.992 1.643 -6.407 1.00 0.00 C ATOM 1480 O TRP A 90 14.583 2.477 -5.722 1.00 0.00 O ATOM 1481 CB TRP A 90 11.761 1.332 -5.240 1.00 0.00 C ATOM 1482 CG TRP A 90 11.968 2.709 -4.684 1.00 0.00 C ATOM 1483 CD1 TRP A 90 12.293 3.837 -5.381 1.00 0.00 C ATOM 1484 CD2 TRP A 90 11.834 3.106 -3.316 1.00 0.00 C ATOM 1485 NE1 TRP A 90 12.375 4.909 -4.527 1.00 0.00 N ATOM 1486 CE2 TRP A 90 12.095 4.486 -3.256 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.520 2.426 -2.135 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 12.049 5.200 -2.064 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.474 3.138 -0.952 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.735 4.512 -0.925 1.00 0.00 C ATOM 0 H TRP A 90 14.479 0.353 -4.280 1.00 0.00 H new ATOM 0 HA TRP A 90 12.733 -0.057 -6.549 1.00 0.00 H new ATOM 0 HB2 TRP A 90 11.035 1.390 -6.051 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.322 0.706 -4.463 1.00 0.00 H new ATOM 0 HD1 TRP A 90 12.461 3.880 -6.447 1.00 0.00 H new ATOM 0 HE1 TRP A 90 12.607 5.865 -4.796 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.317 1.365 -2.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.254 6.260 -2.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.232 2.625 -0.033 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.687 5.041 0.016 1.00 0.00 H new ATOM 1501 N GLU A 91 14.150 1.544 -7.730 1.00 0.00 N ATOM 1502 CA GLU A 91 15.045 2.437 -8.458 1.00 0.00 C ATOM 1503 C GLU A 91 14.450 3.837 -8.563 1.00 0.00 C ATOM 1504 O GLU A 91 13.247 3.998 -8.775 1.00 0.00 O ATOM 1505 CB GLU A 91 15.327 1.883 -9.855 1.00 0.00 C ATOM 1506 CG GLU A 91 16.249 0.675 -9.855 1.00 0.00 C ATOM 1507 CD GLU A 91 17.128 0.614 -11.088 1.00 0.00 C ATOM 1508 OE1 GLU A 91 16.666 0.086 -12.122 1.00 0.00 O ATOM 1509 OE2 GLU A 91 18.281 1.091 -11.020 1.00 0.00 O ATOM 0 H GLU A 91 13.671 0.857 -8.313 1.00 0.00 H new ATOM 0 HA GLU A 91 15.982 2.501 -7.905 1.00 0.00 H new ATOM 0 HB2 GLU A 91 14.383 1.609 -10.326 1.00 0.00 H new ATOM 0 HB3 GLU A 91 15.771 2.669 -10.466 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.878 0.703 -8.965 1.00 0.00 H new ATOM 0 HG3 GLU A 91 15.651 -0.234 -9.794 1.00 0.00 H new ATOM 1516 N GLY A 92 15.300 4.849 -8.416 1.00 0.00 N ATOM 1517 CA GLY A 92 14.839 6.223 -8.498 1.00 0.00 C ATOM 1518 C GLY A 92 13.747 6.531 -7.492 1.00 0.00 C ATOM 1519 O GLY A 92 13.944 6.380 -6.287 1.00 0.00 O ATOM 0 H GLY A 92 16.299 4.742 -8.242 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.681 6.896 -8.333 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.467 6.419 -9.504 1.00 0.00 H new ATOM 1523 N GLU A 93 12.593 6.963 -7.989 1.00 0.00 N ATOM 1524 CA GLU A 93 11.465 7.290 -7.126 1.00 0.00 C ATOM 1525 C GLU A 93 10.177 6.660 -7.655 1.00 0.00 C ATOM 1526 O GLU A 93 9.956 6.612 -8.865 1.00 0.00 O ATOM 1527 CB GLU A 93 11.298 8.807 -7.023 1.00 0.00 C ATOM 1528 CG GLU A 93 10.804 9.273 -5.663 1.00 0.00 C ATOM 1529 CD GLU A 93 11.451 10.571 -5.220 1.00 0.00 C ATOM 1530 OE1 GLU A 93 12.591 10.844 -5.651 1.00 0.00 O ATOM 1531 OE2 GLU A 93 10.818 11.314 -4.441 1.00 0.00 O ATOM 0 H GLU A 93 12.415 7.095 -8.985 1.00 0.00 H new ATOM 0 HA GLU A 93 11.668 6.886 -6.134 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.254 9.285 -7.236 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.597 9.140 -7.789 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.723 9.404 -5.699 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.007 8.499 -4.922 1.00 0.00 H new ATOM 1538 N PRO A 94 9.300 6.174 -6.756 1.00 0.00 N ATOM 1539 CA PRO A 94 8.032 5.556 -7.140 1.00 0.00 C ATOM 1540 C PRO A 94 7.016 6.603 -7.557 1.00 0.00 C ATOM 1541 O PRO A 94 6.785 7.574 -6.838 1.00 0.00 O ATOM 1542 CB PRO A 94 7.569 4.833 -5.861 1.00 0.00 C ATOM 1543 CG PRO A 94 8.700 4.962 -4.891 1.00 0.00 C ATOM 1544 CD PRO A 94 9.455 6.192 -5.300 1.00 0.00 C ATOM 0 HA PRO A 94 8.139 4.885 -7.993 1.00 0.00 H new ATOM 0 HB2 PRO A 94 6.659 5.284 -5.464 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.344 3.786 -6.063 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.330 5.052 -3.870 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.342 4.082 -4.921 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.035 7.095 -4.856 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.502 6.147 -5.001 1.00 0.00 H new ATOM 1552 N TRP A 95 6.414 6.414 -8.725 1.00 0.00 N ATOM 1553 CA TRP A 95 5.436 7.370 -9.213 1.00 0.00 C ATOM 1554 C TRP A 95 4.117 6.711 -9.571 1.00 0.00 C ATOM 1555 O TRP A 95 3.087 6.988 -8.957 1.00 0.00 O ATOM 1556 CB TRP A 95 5.972 8.125 -10.433 1.00 0.00 C ATOM 1557 CG TRP A 95 6.690 7.271 -11.449 1.00 0.00 C ATOM 1558 CD1 TRP A 95 7.996 6.890 -11.414 1.00 0.00 C ATOM 1559 CD2 TRP A 95 6.147 6.714 -12.657 1.00 0.00 C ATOM 1560 NE1 TRP A 95 8.313 6.154 -12.536 1.00 0.00 N ATOM 1561 CE2 TRP A 95 7.194 6.035 -13.313 1.00 0.00 C ATOM 1562 CE3 TRP A 95 4.881 6.728 -13.248 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 7.013 5.387 -14.533 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 4.702 6.079 -14.456 1.00 0.00 C ATOM 1565 CH2 TRP A 95 5.763 5.420 -15.090 1.00 0.00 C ATOM 0 H TRP A 95 6.584 5.619 -9.341 1.00 0.00 H new ATOM 0 HA TRP A 95 5.256 8.071 -8.398 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.139 8.626 -10.926 1.00 0.00 H new ATOM 0 HB3 TRP A 95 6.653 8.903 -10.089 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.687 7.130 -10.619 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.230 5.763 -12.751 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.057 7.237 -12.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.830 4.877 -15.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.726 6.080 -14.919 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.592 4.929 -16.036 1.00 0.00 H new ATOM 1576 N GLY A 96 4.156 5.852 -10.579 1.00 0.00 N ATOM 1577 CA GLY A 96 2.953 5.171 -11.033 1.00 0.00 C ATOM 1578 C GLY A 96 1.736 6.081 -11.082 1.00 0.00 C ATOM 1579 O GLY A 96 1.516 6.782 -12.070 1.00 0.00 O ATOM 0 H GLY A 96 5.002 5.611 -11.095 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.130 4.757 -12.026 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.745 4.332 -10.369 1.00 0.00 H new ATOM 1583 N LYS A 97 0.944 6.068 -10.008 1.00 0.00 N ATOM 1584 CA LYS A 97 -0.259 6.895 -9.924 1.00 0.00 C ATOM 1585 C LYS A 97 -1.101 6.532 -8.696 1.00 0.00 C ATOM 1586 O LYS A 97 -2.330 6.540 -8.753 1.00 0.00 O ATOM 1587 CB LYS A 97 -1.100 6.745 -11.197 1.00 0.00 C ATOM 1588 CG LYS A 97 -1.250 8.039 -11.981 1.00 0.00 C ATOM 1589 CD LYS A 97 -2.604 8.122 -12.666 1.00 0.00 C ATOM 1590 CE LYS A 97 -2.694 9.335 -13.577 1.00 0.00 C ATOM 1591 NZ LYS A 97 -4.043 9.964 -13.534 1.00 0.00 N ATOM 0 H LYS A 97 1.115 5.492 -9.184 1.00 0.00 H new ATOM 0 HA LYS A 97 0.058 7.933 -9.824 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.642 5.992 -11.838 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.090 6.376 -10.928 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.128 8.889 -11.309 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.459 8.107 -12.728 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.775 7.216 -13.247 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.391 8.172 -11.914 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.943 10.067 -13.281 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.465 9.038 -14.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.062 10.787 -14.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.758 9.274 -13.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.252 10.271 -12.563 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.435 6.221 -7.584 1.00 0.00 N ATOM 1606 CA GLU A 98 -1.130 5.864 -6.344 1.00 0.00 C ATOM 1607 C GLU A 98 -2.198 6.903 -6.002 1.00 0.00 C ATOM 1608 O GLU A 98 -3.222 6.576 -5.402 1.00 0.00 O ATOM 1609 CB GLU A 98 -0.139 5.719 -5.178 1.00 0.00 C ATOM 1610 CG GLU A 98 1.194 6.425 -5.391 1.00 0.00 C ATOM 1611 CD GLU A 98 1.033 7.871 -5.813 1.00 0.00 C ATOM 1612 OE1 GLU A 98 0.682 8.704 -4.952 1.00 0.00 O ATOM 1613 OE2 GLU A 98 1.257 8.171 -7.004 1.00 0.00 O ATOM 0 H GLU A 98 0.583 6.209 -7.515 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.618 4.902 -6.502 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.603 6.111 -4.273 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.049 4.659 -5.007 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.773 6.383 -4.469 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.765 5.891 -6.151 1.00 0.00 H new ATOM 1620 N GLY A 99 -1.963 8.151 -6.402 1.00 0.00 N ATOM 1621 CA GLY A 99 -2.930 9.204 -6.142 1.00 0.00 C ATOM 1622 C GLY A 99 -2.413 10.295 -5.221 1.00 0.00 C ATOM 1623 O GLY A 99 -2.856 11.441 -5.308 1.00 0.00 O ATOM 0 H GLY A 99 -1.124 8.450 -6.899 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.229 9.652 -7.089 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.824 8.763 -5.702 1.00 0.00 H new ATOM 1627 N GLN A 100 -1.491 9.950 -4.328 1.00 0.00 N ATOM 1628 CA GLN A 100 -0.946 10.928 -3.390 1.00 0.00 C ATOM 1629 C GLN A 100 0.555 10.751 -3.188 1.00 0.00 C ATOM 1630 O GLN A 100 0.999 9.822 -2.514 1.00 0.00 O ATOM 1631 CB GLN A 100 -1.671 10.822 -2.047 1.00 0.00 C ATOM 1632 CG GLN A 100 -1.578 12.082 -1.203 1.00 0.00 C ATOM 1633 CD GLN A 100 -0.599 11.943 -0.056 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -0.849 11.215 0.905 1.00 0.00 O ATOM 1635 NE2 GLN A 100 0.524 12.644 -0.150 1.00 0.00 N ATOM 0 H GLN A 100 -1.108 9.010 -4.233 1.00 0.00 H new ATOM 0 HA GLN A 100 -1.105 11.918 -3.816 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -2.721 10.593 -2.228 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.255 9.986 -1.484 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.275 12.917 -1.835 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -2.564 12.323 -0.807 1.00 0.00 H new ATOM 0 HE21 GLN A 100 0.690 13.235 -0.965 1.00 0.00 H new ATOM 0 HE22 GLN A 100 1.221 12.592 0.593 1.00 0.00 H new ATOM 1644 N PRO A 101 1.358 11.660 -3.769 1.00 0.00 N ATOM 1645 CA PRO A 101 2.819 11.629 -3.652 1.00 0.00 C ATOM 1646 C PRO A 101 3.289 11.333 -2.230 1.00 0.00 C ATOM 1647 O PRO A 101 2.646 11.731 -1.259 1.00 0.00 O ATOM 1648 CB PRO A 101 3.203 13.047 -4.055 1.00 0.00 C ATOM 1649 CG PRO A 101 2.183 13.426 -5.065 1.00 0.00 C ATOM 1650 CD PRO A 101 0.901 12.806 -4.586 1.00 0.00 C ATOM 0 HA PRO A 101 3.271 10.845 -4.259 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.187 13.722 -3.200 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.209 13.084 -4.472 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.091 14.509 -5.143 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.453 13.057 -6.054 1.00 0.00 H new ATOM 0 HD2 PRO A 101 0.310 13.508 -3.998 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.276 12.482 -5.418 1.00 0.00 H new ATOM 1658 N GLY A 102 4.411 10.628 -2.112 1.00 0.00 N ATOM 1659 CA GLY A 102 4.939 10.289 -0.801 1.00 0.00 C ATOM 1660 C GLY A 102 6.432 10.542 -0.676 1.00 0.00 C ATOM 1661 O GLY A 102 7.088 10.943 -1.638 1.00 0.00 O ATOM 0 H GLY A 102 4.963 10.286 -2.899 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.413 10.870 -0.043 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.736 9.238 -0.595 1.00 0.00 H new ATOM 1665 N GLU A 103 6.965 10.304 0.519 1.00 0.00 N ATOM 1666 CA GLU A 103 8.388 10.498 0.787 1.00 0.00 C ATOM 1667 C GLU A 103 8.960 9.282 1.510 1.00 0.00 C ATOM 1668 O GLU A 103 8.222 8.525 2.139 1.00 0.00 O ATOM 1669 CB GLU A 103 8.606 11.758 1.629 1.00 0.00 C ATOM 1670 CG GLU A 103 7.878 11.732 2.964 1.00 0.00 C ATOM 1671 CD GLU A 103 8.813 11.476 4.131 1.00 0.00 C ATOM 1672 OE1 GLU A 103 9.607 10.515 4.056 1.00 0.00 O ATOM 1673 OE2 GLU A 103 8.748 12.236 5.120 1.00 0.00 O ATOM 0 H GLU A 103 6.430 9.974 1.322 1.00 0.00 H new ATOM 0 HA GLU A 103 8.905 10.619 -0.165 1.00 0.00 H new ATOM 0 HB2 GLU A 103 9.674 11.884 1.809 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.274 12.627 1.060 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.367 12.683 3.114 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.111 10.958 2.941 1.00 0.00 H new ATOM 1680 N TRP A 104 10.275 9.088 1.417 1.00 0.00 N ATOM 1681 CA TRP A 104 10.910 7.945 2.074 1.00 0.00 C ATOM 1682 C TRP A 104 10.861 8.115 3.590 1.00 0.00 C ATOM 1683 O TRP A 104 11.596 8.920 4.160 1.00 0.00 O ATOM 1684 CB TRP A 104 12.370 7.779 1.609 1.00 0.00 C ATOM 1685 CG TRP A 104 12.654 8.369 0.259 1.00 0.00 C ATOM 1686 CD1 TRP A 104 11.841 8.339 -0.837 1.00 0.00 C ATOM 1687 CD2 TRP A 104 13.833 9.082 -0.134 1.00 0.00 C ATOM 1688 NE1 TRP A 104 12.443 8.987 -1.889 1.00 0.00 N ATOM 1689 CE2 TRP A 104 13.667 9.453 -1.482 1.00 0.00 C ATOM 1690 CE3 TRP A 104 15.013 9.443 0.523 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 14.636 10.165 -2.184 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 15.974 10.150 -0.175 1.00 0.00 C ATOM 1693 CH2 TRP A 104 15.780 10.505 -1.516 1.00 0.00 C ATOM 0 H TRP A 104 10.913 9.696 0.903 1.00 0.00 H new ATOM 0 HA TRP A 104 10.359 7.046 1.796 1.00 0.00 H new ATOM 0 HB2 TRP A 104 13.029 8.244 2.343 1.00 0.00 H new ATOM 0 HB3 TRP A 104 12.615 6.717 1.588 1.00 0.00 H new ATOM 0 HD1 TRP A 104 10.867 7.874 -0.872 1.00 0.00 H new ATOM 0 HE1 TRP A 104 12.044 9.103 -2.821 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.171 9.174 1.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 14.490 10.439 -3.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 16.890 10.433 0.322 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.550 11.059 -2.033 1.00 0.00 H new ATOM 1704 N MET A 105 9.986 7.346 4.234 1.00 0.00 N ATOM 1705 CA MET A 105 9.832 7.399 5.686 1.00 0.00 C ATOM 1706 C MET A 105 10.117 6.040 6.316 1.00 0.00 C ATOM 1707 O MET A 105 10.112 5.018 5.633 1.00 0.00 O ATOM 1708 CB MET A 105 8.422 7.861 6.054 1.00 0.00 C ATOM 1709 CG MET A 105 7.328 7.175 5.254 1.00 0.00 C ATOM 1710 SD MET A 105 5.700 7.895 5.544 1.00 0.00 S ATOM 1711 CE MET A 105 5.608 9.073 4.197 1.00 0.00 C ATOM 0 H MET A 105 9.371 6.677 3.771 1.00 0.00 H new ATOM 0 HA MET A 105 10.554 8.116 6.076 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.254 7.677 7.115 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.351 8.938 5.902 1.00 0.00 H new ATOM 0 HG2 MET A 105 7.565 7.239 4.192 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.304 6.116 5.512 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.570 9.189 3.886 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.998 10.036 4.528 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.201 8.712 3.357 1.00 0.00 H new ATOM 1721 N SER A 106 10.347 6.031 7.624 1.00 0.00 N ATOM 1722 CA SER A 106 10.614 4.787 8.340 1.00 0.00 C ATOM 1723 C SER A 106 9.317 4.016 8.573 1.00 0.00 C ATOM 1724 O SER A 106 8.433 4.478 9.293 1.00 0.00 O ATOM 1725 CB SER A 106 11.300 5.079 9.676 1.00 0.00 C ATOM 1726 OG SER A 106 12.303 4.119 9.955 1.00 0.00 O ATOM 0 H SER A 106 10.354 6.867 8.209 1.00 0.00 H new ATOM 0 HA SER A 106 11.279 4.175 7.731 1.00 0.00 H new ATOM 0 HB2 SER A 106 11.742 6.075 9.651 1.00 0.00 H new ATOM 0 HB3 SER A 106 10.560 5.079 10.476 1.00 0.00 H new ATOM 0 HG SER A 106 12.727 4.329 10.813 1.00 0.00 H new ATOM 1732 N LEU A 107 9.209 2.843 7.957 1.00 0.00 N ATOM 1733 CA LEU A 107 8.013 2.014 8.097 1.00 0.00 C ATOM 1734 C LEU A 107 7.922 1.398 9.491 1.00 0.00 C ATOM 1735 O LEU A 107 6.851 0.970 9.921 1.00 0.00 O ATOM 1736 CB LEU A 107 8.003 0.910 7.035 1.00 0.00 C ATOM 1737 CG LEU A 107 6.620 0.339 6.698 1.00 0.00 C ATOM 1738 CD1 LEU A 107 6.136 -0.579 7.809 1.00 0.00 C ATOM 1739 CD2 LEU A 107 5.618 1.460 6.455 1.00 0.00 C ATOM 0 H LEU A 107 9.932 2.445 7.358 1.00 0.00 H new ATOM 0 HA LEU A 107 7.145 2.657 7.954 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.448 1.303 6.121 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.642 0.095 7.376 1.00 0.00 H new ATOM 0 HG LEU A 107 6.706 -0.245 5.782 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.153 -0.974 7.552 1.00 0.00 H new ATOM 0 HD12 LEU A 107 6.838 -1.404 7.932 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.069 -0.018 8.741 1.00 0.00 H new ATOM 0 HD21 LEU A 107 4.644 1.032 6.218 1.00 0.00 H new ATOM 0 HD22 LEU A 107 5.536 2.075 7.351 1.00 0.00 H new ATOM 0 HD23 LEU A 107 5.956 2.076 5.622 1.00 0.00 H new ATOM 1751 N VAL A 108 9.047 1.362 10.199 1.00 0.00 N ATOM 1752 CA VAL A 108 9.086 0.803 11.547 1.00 0.00 C ATOM 1753 C VAL A 108 8.111 1.520 12.483 1.00 0.00 C ATOM 1754 O VAL A 108 7.820 1.036 13.577 1.00 0.00 O ATOM 1755 CB VAL A 108 10.506 0.878 12.142 1.00 0.00 C ATOM 1756 CG1 VAL A 108 10.968 2.324 12.249 1.00 0.00 C ATOM 1757 CG2 VAL A 108 10.556 0.190 13.499 1.00 0.00 C ATOM 0 H VAL A 108 9.943 1.713 9.862 1.00 0.00 H new ATOM 0 HA VAL A 108 8.787 -0.242 11.461 1.00 0.00 H new ATOM 0 HB VAL A 108 11.187 0.354 11.471 1.00 0.00 H new ATOM 0 HG11 VAL A 108 11.972 2.355 12.671 1.00 0.00 H new ATOM 0 HG12 VAL A 108 10.977 2.777 11.258 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.286 2.877 12.895 1.00 0.00 H new ATOM 0 HG21 VAL A 108 11.567 0.254 13.902 1.00 0.00 H new ATOM 0 HG22 VAL A 108 9.861 0.680 14.181 1.00 0.00 H new ATOM 0 HG23 VAL A 108 10.276 -0.857 13.386 1.00 0.00 H new ATOM 1767 N GLY A 109 7.607 2.673 12.049 1.00 0.00 N ATOM 1768 CA GLY A 109 6.674 3.427 12.860 1.00 0.00 C ATOM 1769 C GLY A 109 5.566 4.039 12.028 1.00 0.00 C ATOM 1770 O GLY A 109 5.345 5.248 12.060 1.00 0.00 O ATOM 0 H GLY A 109 7.830 3.096 11.148 1.00 0.00 H new ATOM 0 HA2 GLY A 109 6.240 2.773 13.617 1.00 0.00 H new ATOM 0 HA3 GLY A 109 7.209 4.216 13.389 1.00 0.00 H new ATOM 1774 N LEU A 110 4.875 3.192 11.275 1.00 0.00 N ATOM 1775 CA LEU A 110 3.782 3.641 10.417 1.00 0.00 C ATOM 1776 C LEU A 110 2.663 4.263 11.248 1.00 0.00 C ATOM 1777 O LEU A 110 2.471 3.913 12.412 1.00 0.00 O ATOM 1778 CB LEU A 110 3.242 2.469 9.593 1.00 0.00 C ATOM 1779 CG LEU A 110 1.955 2.758 8.820 1.00 0.00 C ATOM 1780 CD1 LEU A 110 1.965 2.046 7.477 1.00 0.00 C ATOM 1781 CD2 LEU A 110 0.745 2.342 9.641 1.00 0.00 C ATOM 0 H LEU A 110 5.052 2.188 11.240 1.00 0.00 H new ATOM 0 HA LEU A 110 4.168 4.402 9.738 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.010 2.158 8.885 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.065 1.626 10.261 1.00 0.00 H new ATOM 0 HG LEU A 110 1.895 3.830 8.633 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.041 2.264 6.942 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.815 2.391 6.888 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.047 0.971 7.636 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.165 2.553 9.080 1.00 0.00 H new ATOM 0 HD22 LEU A 110 0.800 1.275 9.855 1.00 0.00 H new ATOM 0 HD23 LEU A 110 0.731 2.900 10.577 1.00 0.00 H new ATOM 1793 N ASN A 111 1.944 5.211 10.649 1.00 0.00 N ATOM 1794 CA ASN A 111 0.866 5.909 11.343 1.00 0.00 C ATOM 1795 C ASN A 111 -0.502 5.293 11.079 1.00 0.00 C ATOM 1796 O ASN A 111 -1.129 5.562 10.055 1.00 0.00 O ATOM 1797 CB ASN A 111 0.854 7.383 10.939 1.00 0.00 C ATOM 1798 CG ASN A 111 0.359 8.284 12.054 1.00 0.00 C ATOM 1799 OD1 ASN A 111 -0.800 8.204 12.464 1.00 0.00 O ATOM 1800 ND2 ASN A 111 1.236 9.148 12.551 1.00 0.00 N ATOM 0 H ASN A 111 2.089 5.512 9.685 1.00 0.00 H new ATOM 0 HA ASN A 111 1.062 5.813 12.411 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.860 7.686 10.650 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.219 7.512 10.063 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.960 9.780 13.303 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.186 9.180 12.181 1.00 0.00 H new ATOM 1807 N ALA A 112 -0.975 4.492 12.031 1.00 0.00 N ATOM 1808 CA ALA A 112 -2.289 3.871 11.921 1.00 0.00 C ATOM 1809 C ALA A 112 -3.385 4.918 12.125 1.00 0.00 C ATOM 1810 O ALA A 112 -4.530 4.725 11.716 1.00 0.00 O ATOM 1811 CB ALA A 112 -2.439 2.742 12.929 1.00 0.00 C ATOM 0 H ALA A 112 -0.468 4.259 12.885 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.388 3.448 10.921 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -3.427 2.293 12.828 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.677 1.985 12.744 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.321 3.137 13.938 1.00 0.00 H new ATOM 1817 N ASP A 113 -3.021 6.027 12.768 1.00 0.00 N ATOM 1818 CA ASP A 113 -3.962 7.111 13.028 1.00 0.00 C ATOM 1819 C ASP A 113 -4.167 7.971 11.783 1.00 0.00 C ATOM 1820 O ASP A 113 -5.295 8.324 11.439 1.00 0.00 O ATOM 1821 CB ASP A 113 -3.463 7.978 14.184 1.00 0.00 C ATOM 1822 CG ASP A 113 -4.582 8.754 14.850 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -5.030 9.765 14.270 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -5.010 8.352 15.953 1.00 0.00 O ATOM 0 H ASP A 113 -2.078 6.197 13.118 1.00 0.00 H new ATOM 0 HA ASP A 113 -4.920 6.668 13.300 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -2.973 7.345 14.924 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.712 8.675 13.813 1.00 0.00 H new ATOM 1829 N ASP A 114 -3.066 8.314 11.116 1.00 0.00 N ATOM 1830 CA ASP A 114 -3.120 9.144 9.916 1.00 0.00 C ATOM 1831 C ASP A 114 -3.811 8.413 8.769 1.00 0.00 C ATOM 1832 O ASP A 114 -4.603 9.002 8.035 1.00 0.00 O ATOM 1833 CB ASP A 114 -1.714 9.565 9.496 1.00 0.00 C ATOM 1834 CG ASP A 114 -1.497 11.061 9.616 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -1.950 11.648 10.622 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -0.874 11.646 8.705 1.00 0.00 O ATOM 0 H ASP A 114 -2.125 8.029 11.388 1.00 0.00 H new ATOM 0 HA ASP A 114 -3.703 10.034 10.153 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -0.982 9.044 10.114 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -1.538 9.257 8.465 1.00 0.00 H new ATOM 1841 N PHE A 115 -3.513 7.129 8.625 1.00 0.00 N ATOM 1842 CA PHE A 115 -4.115 6.325 7.571 1.00 0.00 C ATOM 1843 C PHE A 115 -5.538 5.932 7.980 1.00 0.00 C ATOM 1844 O PHE A 115 -5.961 6.228 9.097 1.00 0.00 O ATOM 1845 CB PHE A 115 -3.226 5.101 7.279 1.00 0.00 C ATOM 1846 CG PHE A 115 -3.710 3.807 7.867 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -4.069 3.737 9.196 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -3.790 2.661 7.092 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -4.502 2.551 9.752 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -4.224 1.471 7.638 1.00 0.00 C ATOM 1851 CZ PHE A 115 -4.580 1.416 8.971 1.00 0.00 C ATOM 0 H PHE A 115 -2.860 6.623 9.223 1.00 0.00 H new ATOM 0 HA PHE A 115 -4.186 6.900 6.648 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -3.142 4.982 6.199 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -2.223 5.301 7.657 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -4.010 4.623 9.811 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -3.510 2.700 6.050 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -4.779 2.511 10.795 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.285 0.584 7.024 1.00 0.00 H new ATOM 0 HZ PHE A 115 -4.919 0.486 9.402 1.00 0.00 H new ATOM 1861 N PRO A 116 -6.313 5.284 7.092 1.00 0.00 N ATOM 1862 CA PRO A 116 -7.693 4.899 7.406 1.00 0.00 C ATOM 1863 C PRO A 116 -7.788 4.078 8.693 1.00 0.00 C ATOM 1864 O PRO A 116 -7.090 3.076 8.852 1.00 0.00 O ATOM 1865 CB PRO A 116 -8.131 4.060 6.195 1.00 0.00 C ATOM 1866 CG PRO A 116 -6.880 3.770 5.431 1.00 0.00 C ATOM 1867 CD PRO A 116 -5.936 4.898 5.726 1.00 0.00 C ATOM 0 HA PRO A 116 -8.324 5.771 7.577 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -8.618 3.138 6.513 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -8.848 4.604 5.580 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -6.452 2.815 5.735 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -7.084 3.703 4.362 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -4.895 4.581 5.667 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -6.058 5.723 5.024 1.00 0.00 H new ATOM 1875 N PRO A 117 -8.659 4.497 9.634 1.00 0.00 N ATOM 1876 CA PRO A 117 -8.842 3.801 10.913 1.00 0.00 C ATOM 1877 C PRO A 117 -9.514 2.444 10.745 1.00 0.00 C ATOM 1878 O PRO A 117 -9.213 1.496 11.468 1.00 0.00 O ATOM 1879 CB PRO A 117 -9.742 4.746 11.711 1.00 0.00 C ATOM 1880 CG PRO A 117 -10.480 5.527 10.680 1.00 0.00 C ATOM 1881 CD PRO A 117 -9.528 5.685 9.527 1.00 0.00 C ATOM 0 HA PRO A 117 -7.889 3.589 11.398 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -10.427 4.192 12.353 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -9.156 5.399 12.358 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.387 5.007 10.370 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -10.787 6.498 11.070 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -10.054 5.713 8.573 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -8.956 6.609 9.603 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.426 2.356 9.784 1.00 0.00 N ATOM 1890 CA ALA A 118 -11.137 1.111 9.520 1.00 0.00 C ATOM 1891 C ALA A 118 -10.230 0.084 8.855 1.00 0.00 C ATOM 1892 O ALA A 118 -10.595 -1.083 8.708 1.00 0.00 O ATOM 1893 CB ALA A 118 -12.366 1.375 8.664 1.00 0.00 C ATOM 0 H ALA A 118 -10.690 3.131 9.175 1.00 0.00 H new ATOM 0 HA ALA A 118 -11.458 0.698 10.476 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -12.886 0.436 8.475 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -13.033 2.061 9.187 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -12.061 1.818 7.716 1.00 0.00 H new ATOM 1899 N ASN A 119 -9.050 0.528 8.452 1.00 0.00 N ATOM 1900 CA ASN A 119 -8.082 -0.333 7.798 1.00 0.00 C ATOM 1901 C ASN A 119 -6.961 -0.730 8.764 1.00 0.00 C ATOM 1902 O ASN A 119 -5.870 -1.112 8.342 1.00 0.00 O ATOM 1903 CB ASN A 119 -7.514 0.414 6.597 1.00 0.00 C ATOM 1904 CG ASN A 119 -8.299 0.150 5.325 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -9.191 -0.699 5.296 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -7.977 0.884 4.265 1.00 0.00 N ATOM 0 H ASN A 119 -8.739 1.492 8.569 1.00 0.00 H new ATOM 0 HA ASN A 119 -8.569 -1.252 7.471 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -7.514 1.484 6.805 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -6.475 0.119 6.447 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -8.476 0.755 3.385 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -7.231 1.577 4.332 1.00 0.00 H new ATOM 1913 N GLU A 120 -7.243 -0.617 10.064 1.00 0.00 N ATOM 1914 CA GLU A 120 -6.280 -0.933 11.108 1.00 0.00 C ATOM 1915 C GLU A 120 -5.976 -2.433 11.240 1.00 0.00 C ATOM 1916 O GLU A 120 -4.876 -2.792 11.634 1.00 0.00 O ATOM 1917 CB GLU A 120 -6.769 -0.360 12.442 1.00 0.00 C ATOM 1918 CG GLU A 120 -7.357 -1.386 13.404 1.00 0.00 C ATOM 1919 CD GLU A 120 -8.352 -0.775 14.371 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -7.973 0.171 15.093 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -9.509 -1.243 14.407 1.00 0.00 O ATOM 0 H GLU A 120 -8.147 -0.303 10.417 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.337 -0.469 10.820 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -5.935 0.141 12.933 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -7.523 0.401 12.240 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -7.848 -2.174 12.833 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -6.550 -1.855 13.967 1.00 0.00 H new ATOM 1928 N PRO A 121 -6.930 -3.338 10.950 1.00 0.00 N ATOM 1929 CA PRO A 121 -6.694 -4.781 11.092 1.00 0.00 C ATOM 1930 C PRO A 121 -5.339 -5.232 10.546 1.00 0.00 C ATOM 1931 O PRO A 121 -4.685 -6.095 11.132 1.00 0.00 O ATOM 1932 CB PRO A 121 -7.837 -5.390 10.284 1.00 0.00 C ATOM 1933 CG PRO A 121 -8.950 -4.410 10.429 1.00 0.00 C ATOM 1934 CD PRO A 121 -8.305 -3.049 10.493 1.00 0.00 C ATOM 0 HA PRO A 121 -6.669 -5.088 12.138 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -7.558 -5.524 9.239 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -8.118 -6.371 10.668 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -9.639 -4.475 9.587 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -9.529 -4.609 11.331 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -8.309 -2.557 9.520 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -8.828 -2.390 11.186 1.00 0.00 H new ATOM 1942 N VAL A 122 -4.912 -4.640 9.437 1.00 0.00 N ATOM 1943 CA VAL A 122 -3.626 -4.978 8.839 1.00 0.00 C ATOM 1944 C VAL A 122 -2.489 -4.314 9.603 1.00 0.00 C ATOM 1945 O VAL A 122 -1.516 -4.962 9.988 1.00 0.00 O ATOM 1946 CB VAL A 122 -3.549 -4.543 7.361 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -2.219 -4.958 6.749 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -4.707 -5.123 6.564 1.00 0.00 C ATOM 0 H VAL A 122 -5.437 -3.924 8.934 1.00 0.00 H new ATOM 0 HA VAL A 122 -3.529 -6.062 8.892 1.00 0.00 H new ATOM 0 HB VAL A 122 -3.622 -3.456 7.324 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.184 -4.642 5.706 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.403 -4.488 7.298 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.116 -6.042 6.804 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.631 -4.802 5.525 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.672 -6.211 6.611 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -5.650 -4.772 6.984 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.623 -3.010 9.807 1.00 0.00 N ATOM 1959 CA ILE A 123 -1.615 -2.233 10.511 1.00 0.00 C ATOM 1960 C ILE A 123 -1.513 -2.643 11.973 1.00 0.00 C ATOM 1961 O ILE A 123 -0.450 -2.552 12.572 1.00 0.00 O ATOM 1962 CB ILE A 123 -1.912 -0.725 10.419 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -1.891 -0.281 8.961 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -0.897 0.069 11.224 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -0.533 -0.433 8.317 1.00 0.00 C ATOM 0 H ILE A 123 -3.426 -2.466 9.492 1.00 0.00 H new ATOM 0 HA ILE A 123 -0.661 -2.438 10.025 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.902 -0.538 10.834 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.621 -0.864 8.399 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -2.201 0.762 8.900 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -1.123 1.132 11.147 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -0.942 -0.237 12.269 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.103 -0.118 10.834 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.583 -0.101 7.280 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.196 0.171 8.857 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -0.231 -1.480 8.348 1.00 0.00 H new ATOM 1977 N ALA A 124 -2.616 -3.098 12.546 1.00 0.00 N ATOM 1978 CA ALA A 124 -2.626 -3.521 13.939 1.00 0.00 C ATOM 1979 C ALA A 124 -1.555 -4.576 14.177 1.00 0.00 C ATOM 1980 O ALA A 124 -1.006 -4.685 15.273 1.00 0.00 O ATOM 1981 CB ALA A 124 -3.998 -4.057 14.322 1.00 0.00 C ATOM 0 H ALA A 124 -3.514 -3.184 12.070 1.00 0.00 H new ATOM 0 HA ALA A 124 -2.407 -2.657 14.567 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.988 -4.369 15.366 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.745 -3.276 14.184 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -4.244 -4.911 13.691 1.00 0.00 H new ATOM 1987 N LYS A 125 -1.265 -5.351 13.137 1.00 0.00 N ATOM 1988 CA LYS A 125 -0.255 -6.402 13.229 1.00 0.00 C ATOM 1989 C LYS A 125 1.163 -5.828 13.139 1.00 0.00 C ATOM 1990 O LYS A 125 2.018 -6.130 13.972 1.00 0.00 O ATOM 1991 CB LYS A 125 -0.471 -7.438 12.123 1.00 0.00 C ATOM 1992 CG LYS A 125 -0.762 -8.834 12.648 1.00 0.00 C ATOM 1993 CD LYS A 125 0.457 -9.443 13.320 1.00 0.00 C ATOM 1994 CE LYS A 125 0.097 -10.703 14.092 1.00 0.00 C ATOM 1995 NZ LYS A 125 -0.226 -10.408 15.516 1.00 0.00 N ATOM 0 H LYS A 125 -1.712 -5.273 12.224 1.00 0.00 H new ATOM 0 HA LYS A 125 -0.362 -6.883 14.201 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -1.299 -7.116 11.491 1.00 0.00 H new ATOM 0 HB3 LYS A 125 0.417 -7.474 11.491 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -1.587 -8.792 13.359 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -1.083 -9.473 11.825 1.00 0.00 H new ATOM 0 HD2 LYS A 125 1.209 -9.679 12.567 1.00 0.00 H new ATOM 0 HD3 LYS A 125 0.902 -8.715 13.998 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -0.757 -11.187 13.619 1.00 0.00 H new ATOM 0 HE3 LYS A 125 0.928 -11.407 14.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -0.466 -11.292 16.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 0.598 -9.969 15.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -1.035 -9.756 15.561 1.00 0.00 H new ATOM 2009 N LEU A 126 1.406 -5.011 12.118 1.00 0.00 N ATOM 2010 CA LEU A 126 2.720 -4.404 11.903 1.00 0.00 C ATOM 2011 C LEU A 126 2.955 -3.214 12.832 1.00 0.00 C ATOM 2012 O LEU A 126 4.093 -2.806 13.058 1.00 0.00 O ATOM 2013 CB LEU A 126 2.856 -3.959 10.443 1.00 0.00 C ATOM 2014 CG LEU A 126 4.245 -3.462 10.031 1.00 0.00 C ATOM 2015 CD1 LEU A 126 4.468 -2.033 10.506 1.00 0.00 C ATOM 2016 CD2 LEU A 126 5.328 -4.386 10.571 1.00 0.00 C ATOM 0 H LEU A 126 0.707 -4.752 11.422 1.00 0.00 H new ATOM 0 HA LEU A 126 3.474 -5.157 12.131 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.583 -4.796 9.800 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.134 -3.164 10.255 1.00 0.00 H new ATOM 0 HG LEU A 126 4.302 -3.471 8.943 1.00 0.00 H new ATOM 0 HD11 LEU A 126 5.461 -1.700 10.203 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.715 -1.381 10.063 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.388 -1.994 11.592 1.00 0.00 H new ATOM 0 HD21 LEU A 126 6.307 -4.015 10.267 1.00 0.00 H new ATOM 0 HD22 LEU A 126 5.272 -4.415 11.659 1.00 0.00 H new ATOM 0 HD23 LEU A 126 5.181 -5.390 10.174 1.00 0.00 H new ATOM 2028 N LYS A 127 1.877 -2.656 13.363 1.00 0.00 N ATOM 2029 CA LYS A 127 1.972 -1.513 14.260 1.00 0.00 C ATOM 2030 C LYS A 127 2.474 -1.947 15.622 1.00 0.00 C ATOM 2031 O LYS A 127 3.326 -1.296 16.225 1.00 0.00 O ATOM 2032 CB LYS A 127 0.613 -0.854 14.407 1.00 0.00 C ATOM 2033 CG LYS A 127 0.641 0.436 15.208 1.00 0.00 C ATOM 2034 CD LYS A 127 -0.584 1.295 14.930 1.00 0.00 C ATOM 2035 CE LYS A 127 -1.177 1.857 16.214 1.00 0.00 C ATOM 2036 NZ LYS A 127 -1.483 3.308 16.096 1.00 0.00 N ATOM 0 H LYS A 127 0.925 -2.977 13.188 1.00 0.00 H new ATOM 0 HA LYS A 127 2.677 -0.799 13.834 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.211 -0.646 13.415 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -0.070 -1.554 14.888 1.00 0.00 H new ATOM 0 HG2 LYS A 127 0.689 0.203 16.272 1.00 0.00 H new ATOM 0 HG3 LYS A 127 1.543 0.997 14.963 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -0.311 2.115 14.265 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -1.336 0.700 14.411 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -2.089 1.313 16.461 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -0.479 1.699 17.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -1.213 3.792 16.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -0.949 3.712 15.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -2.502 3.436 15.929 1.00 0.00 H new ATOM 2050 N ARG A 128 1.947 -3.070 16.093 1.00 0.00 N ATOM 2051 CA ARG A 128 2.349 -3.615 17.374 1.00 0.00 C ATOM 2052 C ARG A 128 3.802 -4.074 17.313 1.00 0.00 C ATOM 2053 O ARG A 128 4.404 -4.394 18.338 1.00 0.00 O ATOM 2054 CB ARG A 128 1.441 -4.783 17.763 1.00 0.00 C ATOM 2055 CG ARG A 128 1.830 -5.452 19.072 1.00 0.00 C ATOM 2056 CD ARG A 128 0.767 -6.436 19.536 1.00 0.00 C ATOM 2057 NE ARG A 128 0.194 -6.056 20.825 1.00 0.00 N ATOM 2058 CZ ARG A 128 0.865 -6.091 21.974 1.00 0.00 C ATOM 2059 NH1 ARG A 128 2.133 -6.484 21.999 1.00 0.00 N ATOM 2060 NH2 ARG A 128 0.268 -5.731 23.102 1.00 0.00 N ATOM 0 H ARG A 128 1.240 -3.618 15.603 1.00 0.00 H new ATOM 0 HA ARG A 128 2.257 -2.837 18.131 1.00 0.00 H new ATOM 0 HB2 ARG A 128 0.415 -4.423 17.840 1.00 0.00 H new ATOM 0 HB3 ARG A 128 1.459 -5.526 16.966 1.00 0.00 H new ATOM 0 HG2 ARG A 128 2.779 -5.973 18.947 1.00 0.00 H new ATOM 0 HG3 ARG A 128 1.982 -4.692 19.838 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -0.025 -6.492 18.790 1.00 0.00 H new ATOM 0 HD3 ARG A 128 1.204 -7.432 19.613 1.00 0.00 H new ATOM 0 HE ARG A 128 -0.777 -5.746 20.846 1.00 0.00 H new ATOM 0 HH11 ARG A 128 2.598 -6.761 21.135 1.00 0.00 H new ATOM 0 HH12 ARG A 128 2.642 -6.509 22.883 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -0.706 -5.427 23.089 1.00 0.00 H new ATOM 0 HH22 ARG A 128 0.782 -5.758 23.982 1.00 0.00 H new ATOM 2074 N LEU A 129 4.366 -4.098 16.102 1.00 0.00 N ATOM 2075 CA LEU A 129 5.754 -4.515 15.928 1.00 0.00 C ATOM 2076 C LEU A 129 6.691 -3.621 16.740 1.00 0.00 C ATOM 2077 O LEU A 129 6.839 -3.796 17.949 1.00 0.00 O ATOM 2078 CB LEU A 129 6.139 -4.504 14.440 1.00 0.00 C ATOM 2079 CG LEU A 129 7.193 -3.471 14.030 1.00 0.00 C ATOM 2080 CD1 LEU A 129 7.720 -3.766 12.635 1.00 0.00 C ATOM 2081 CD2 LEU A 129 6.620 -2.062 14.102 1.00 0.00 C ATOM 0 H LEU A 129 3.888 -3.837 15.240 1.00 0.00 H new ATOM 0 HA LEU A 129 5.856 -5.535 16.297 1.00 0.00 H new ATOM 0 HB2 LEU A 129 6.506 -5.495 14.172 1.00 0.00 H new ATOM 0 HB3 LEU A 129 5.238 -4.328 13.853 1.00 0.00 H new ATOM 0 HG LEU A 129 8.026 -3.537 14.730 1.00 0.00 H new ATOM 0 HD11 LEU A 129 8.467 -3.021 12.363 1.00 0.00 H new ATOM 0 HD12 LEU A 129 8.174 -4.757 12.619 1.00 0.00 H new ATOM 0 HD13 LEU A 129 6.897 -3.732 11.921 1.00 0.00 H new ATOM 0 HD21 LEU A 129 7.384 -1.343 13.807 1.00 0.00 H new ATOM 0 HD22 LEU A 129 5.767 -1.981 13.429 1.00 0.00 H new ATOM 0 HD23 LEU A 129 6.298 -1.852 15.122 1.00 0.00 H new TER 2093 LEU A 129 HETATM 2094 MG MG A 130 -4.204 1.603 -8.957 1.00 0.00 MG HETATM 2095 OP3 8OG A 131 -7.480 3.769 -2.960 1.00 20.00 O HETATM 2096 P 8OG A 131 -8.663 3.219 -2.017 1.00 20.00 P HETATM 2097 OP1 8OG A 131 -9.793 2.814 -2.883 1.00 20.00 O HETATM 2098 OP2 8OG A 131 -8.893 4.208 -0.940 1.00 20.00 O HETATM 2099 O5' 8OG A 131 -7.995 1.900 -1.379 1.00 20.00 O HETATM 2100 C5' 8OG A 131 -8.583 1.244 -0.252 1.00 20.00 C HETATM 2101 C4' 8OG A 131 -10.045 0.865 -0.507 1.00 20.00 C HETATM 2102 O4' 8OG A 131 -10.724 -0.015 0.395 1.00 20.00 O HETATM 2103 C3' 8OG A 131 -10.988 2.070 -0.560 1.00 20.00 C HETATM 2104 O3' 8OG A 131 -11.540 2.251 -1.867 1.00 20.00 O HETATM 2105 C2' 8OG A 131 -12.085 1.829 0.481 1.00 20.00 C HETATM 2106 C1' 8OG A 131 -11.821 0.486 1.170 1.00 20.00 C HETATM 2107 N9 8OG A 131 -11.943 0.463 2.645 1.00 20.00 N HETATM 2108 C8 8OG A 131 -11.246 1.322 3.453 1.00 20.00 C HETATM 2109 N7 8OG A 131 -11.635 0.989 4.723 1.00 20.00 N HETATM 2110 C5 8OG A 131 -12.543 -0.035 4.716 1.00 20.00 C HETATM 2111 C6 8OG A 131 -13.227 -0.719 5.660 1.00 20.00 C HETATM 2112 O6 8OG A 131 -13.055 -0.404 6.888 1.00 20.00 O HETATM 2113 N1 8OG A 131 -14.117 -1.744 5.359 1.00 20.00 N HETATM 2114 C2 8OG A 131 -14.296 -2.058 4.038 1.00 20.00 C HETATM 2115 N2 8OG A 131 -15.153 -3.047 3.750 1.00 20.00 N HETATM 2116 N3 8OG A 131 -13.637 -1.413 2.986 1.00 20.00 N HETATM 2117 C4 8OG A 131 -12.750 -0.384 3.396 1.00 20.00 C HETATM 2118 O8 8OG A 131 -10.422 2.240 3.108 1.00 20.00 O HETATM 0 HO3' 8OG A 131 -10.820 2.448 -2.502 1.00 20.00 H new HETATM 0 H5'' 8OG A 131 -8.012 0.346 -0.016 1.00 20.00 H new HETATM 0 H2'' 8OG A 131 -12.093 2.635 1.215 1.00 20.00 H new HETATM 0 H7 8OG A 131 -11.291 1.446 5.568 1.00 20.00 H new HETATM 0 H5' 8OG A 131 -8.524 1.897 0.619 1.00 20.00 H new HETATM 0 H4' 8OG A 131 -9.877 0.345 -1.450 1.00 20.00 H new HETATM 0 H3' 8OG A 131 -10.443 2.987 -0.336 1.00 20.00 H new HETATM 0 H22 8OG A 131 -15.316 -3.314 2.779 1.00 20.00 H new HETATM 0 H21 8OG A 131 -15.642 -3.533 4.502 1.00 20.00 H new HETATM 0 H2' 8OG A 131 -13.065 1.823 0.003 1.00 20.00 H new HETATM 0 H1' 8OG A 131 -12.591 -0.285 1.161 1.00 20.00 H new HETATM 0 H1 8OG A 131 -14.618 -2.243 6.094 1.00 20.00 H new HETATM 2131 O HOH A5023 -4.788 2.695 -7.246 1.00 0.00 O HETATM 2132 O HOH A5024 -5.800 2.479 -10.025 1.00 0.00 O