USER MOD reduce.3.24.130724 H: found=0, std=0, add=1050, rem=0, adj=14 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 5 GLN : amide:sc= -0.431 X(o=-3.4,f=-3) USER MOD Set 1.2: A 81 THR OG1 : rot -169:sc= -2.97 USER MOD Set 2.1: A 21 THR OG1 : rot -1:sc= 0.858! USER MOD Set 2.2: A 100 GLN : amide:sc= -1.01 K(o=-0.16,f=-1.8!) USER MOD Set 3.1: A 15 ASN : amide:sc= -1.99 X(o=-3.9,f=-4.3) USER MOD Set 3.2: A 16 ASN : amide:sc= -1.92 K(o=-3.9,f=-13!) USER MOD Set 4.1: A 1 MET CE :methyl -140:sc= 0 (180deg=0) USER MOD Set 4.2: A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 13 ASN : amide:sc= -8.87! C(o=-8.9!,f=-12!) USER MOD Single : A 28 HIS : no HD1:sc= -0.186 X(o=-0.19,f=-0.48) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -1.2 K(o=-1.2,f=-2.6) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -105:sc= -1.18 (180deg=-2.98!) USER MOD Single : A 42 MET CE :methyl 158:sc= -0.0319 (180deg=-0.29) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -2.59 K(o=-2.6,f=-5.1!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.00698 USER MOD Single : A 63 GLN : amide:sc= -0.912 X(o=-0.91,f=-0.75) USER MOD Single : A 64 HIS : no HE2:sc= -17.5! C(o=-17!,f=-24!) USER MOD Single : A 66 SER OG : rot 180:sc=6.46e-05 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= -0.115 USER MOD Single : A 79 HIS : no HD1:sc= -1.68 X(o=-1.7,f=-1.8) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl -167:sc= 0 (180deg=-0.119) USER MOD Single : A 106 SER OG : rot 180:sc= 0.0774 USER MOD Single : A 111 ASN : amide:sc= -0.0276 X(o=-0.028,f=-0.13) USER MOD Single : A 119 ASN : amide:sc= -7.66! C(o=-7.7!,f=-7.8!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ -175:sc= 0.089 (180deg=0.0547) USER MOD Single : A 131 8OG O3' : rot 40:sc= -3.29! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.669 -6.734 -4.533 1.00 0.00 N ATOM 2 CA MET A 1 -23.406 -7.262 -3.956 1.00 0.00 C ATOM 3 C MET A 1 -22.202 -6.452 -4.428 1.00 0.00 C ATOM 4 O MET A 1 -21.540 -6.815 -5.401 1.00 0.00 O ATOM 5 CB MET A 1 -23.254 -8.726 -4.375 1.00 0.00 C ATOM 6 CG MET A 1 -22.639 -9.606 -3.299 1.00 0.00 C ATOM 7 SD MET A 1 -23.360 -11.259 -3.257 1.00 0.00 S ATOM 8 CE MET A 1 -22.306 -12.119 -4.421 1.00 0.00 C ATOM 0 H1 MET A 1 -25.470 -7.304 -4.195 1.00 0.00 H new ATOM 0 H2 MET A 1 -24.799 -5.745 -4.238 1.00 0.00 H new ATOM 0 H3 MET A 1 -24.623 -6.782 -5.571 1.00 0.00 H new ATOM 0 HA MET A 1 -23.449 -7.183 -2.870 1.00 0.00 H new ATOM 0 HB2 MET A 1 -24.234 -9.123 -4.641 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.636 -8.776 -5.271 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.566 -9.686 -3.470 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.772 -9.131 -2.327 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.910 -12.790 -5.032 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.806 -11.394 -5.063 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.559 -12.698 -3.877 1.00 0.00 H new ATOM 20 N LYS A 2 -21.925 -5.355 -3.732 1.00 0.00 N ATOM 21 CA LYS A 2 -20.800 -4.494 -4.079 1.00 0.00 C ATOM 22 C LYS A 2 -19.477 -5.137 -3.674 1.00 0.00 C ATOM 23 O LYS A 2 -19.342 -5.657 -2.566 1.00 0.00 O ATOM 24 CB LYS A 2 -20.951 -3.127 -3.403 1.00 0.00 C ATOM 25 CG LYS A 2 -21.032 -1.970 -4.385 1.00 0.00 C ATOM 26 CD LYS A 2 -19.664 -1.359 -4.642 1.00 0.00 C ATOM 27 CE LYS A 2 -19.526 -0.889 -6.080 1.00 0.00 C ATOM 28 NZ LYS A 2 -18.801 -1.880 -6.922 1.00 0.00 N ATOM 0 H LYS A 2 -22.463 -5.041 -2.925 1.00 0.00 H new ATOM 0 HA LYS A 2 -20.797 -4.357 -5.160 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -21.850 -3.133 -2.786 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -20.106 -2.966 -2.734 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -21.458 -2.319 -5.326 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -21.705 -1.207 -3.994 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -19.507 -0.518 -3.967 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -18.889 -2.093 -4.422 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -20.516 -0.711 -6.500 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -18.995 0.063 -6.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -18.728 -1.521 -7.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -17.847 -2.031 -6.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -19.321 -2.781 -6.923 1.00 0.00 H new ATOM 42 N LYS A 3 -18.505 -5.096 -4.579 1.00 0.00 N ATOM 43 CA LYS A 3 -17.192 -5.675 -4.317 1.00 0.00 C ATOM 44 C LYS A 3 -16.085 -4.784 -4.871 1.00 0.00 C ATOM 45 O LYS A 3 -16.119 -4.385 -6.035 1.00 0.00 O ATOM 46 CB LYS A 3 -17.099 -7.074 -4.931 1.00 0.00 C ATOM 47 CG LYS A 3 -17.430 -8.191 -3.955 1.00 0.00 C ATOM 48 CD LYS A 3 -18.197 -9.314 -4.632 1.00 0.00 C ATOM 49 CE LYS A 3 -17.905 -10.658 -3.986 1.00 0.00 C ATOM 50 NZ LYS A 3 -19.092 -11.556 -4.009 1.00 0.00 N ATOM 0 H LYS A 3 -18.601 -4.668 -5.500 1.00 0.00 H new ATOM 0 HA LYS A 3 -17.062 -5.752 -3.237 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -17.777 -7.134 -5.782 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -16.091 -7.226 -5.316 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -16.509 -8.585 -3.526 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -18.020 -7.792 -3.130 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -19.266 -9.109 -4.579 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -17.931 -9.352 -5.688 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -17.077 -11.138 -4.507 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -17.587 -10.503 -2.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -18.851 -12.462 -3.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -19.875 -11.110 -3.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -19.381 -11.725 -4.994 1.00 0.00 H new ATOM 64 N LEU A 4 -15.104 -4.477 -4.028 1.00 0.00 N ATOM 65 CA LEU A 4 -13.986 -3.631 -4.429 1.00 0.00 C ATOM 66 C LEU A 4 -12.702 -4.067 -3.725 1.00 0.00 C ATOM 67 O LEU A 4 -12.631 -4.071 -2.501 1.00 0.00 O ATOM 68 CB LEU A 4 -14.302 -2.166 -4.114 1.00 0.00 C ATOM 69 CG LEU A 4 -14.125 -1.756 -2.651 1.00 0.00 C ATOM 70 CD1 LEU A 4 -12.687 -1.339 -2.384 1.00 0.00 C ATOM 71 CD2 LEU A 4 -15.083 -0.630 -2.296 1.00 0.00 C ATOM 0 H LEU A 4 -15.061 -4.802 -3.062 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.835 -3.735 -5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.663 -1.534 -4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.332 -1.963 -4.409 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.355 -2.615 -2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.580 -1.051 -1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.020 -2.174 -2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.429 -0.494 -3.022 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.944 -0.350 -1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.883 0.232 -2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.109 -0.964 -2.449 1.00 0.00 H new ATOM 83 N GLN A 5 -11.698 -4.450 -4.507 1.00 0.00 N ATOM 84 CA GLN A 5 -10.428 -4.914 -3.953 1.00 0.00 C ATOM 85 C GLN A 5 -9.346 -3.839 -4.023 1.00 0.00 C ATOM 86 O GLN A 5 -9.416 -2.918 -4.838 1.00 0.00 O ATOM 87 CB GLN A 5 -9.957 -6.154 -4.717 1.00 0.00 C ATOM 88 CG GLN A 5 -11.084 -7.096 -5.109 1.00 0.00 C ATOM 89 CD GLN A 5 -10.614 -8.243 -5.984 1.00 0.00 C ATOM 90 OE1 GLN A 5 -11.294 -8.631 -6.934 1.00 0.00 O ATOM 91 NE2 GLN A 5 -9.447 -8.794 -5.669 1.00 0.00 N ATOM 0 H GLN A 5 -11.738 -4.449 -5.526 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.595 -5.154 -2.903 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.431 -5.837 -5.617 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.239 -6.697 -4.103 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.545 -7.498 -4.207 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.854 -6.534 -5.637 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.915 -8.442 -4.873 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.083 -9.569 -6.223 1.00 0.00 H new ATOM 100 N ILE A 6 -8.343 -3.978 -3.159 1.00 0.00 N ATOM 101 CA ILE A 6 -7.227 -3.038 -3.103 1.00 0.00 C ATOM 102 C ILE A 6 -5.921 -3.776 -2.809 1.00 0.00 C ATOM 103 O ILE A 6 -5.885 -4.686 -1.981 1.00 0.00 O ATOM 104 CB ILE A 6 -7.437 -1.941 -2.031 1.00 0.00 C ATOM 105 CG1 ILE A 6 -8.505 -2.363 -1.011 1.00 0.00 C ATOM 106 CG2 ILE A 6 -7.804 -0.619 -2.690 1.00 0.00 C ATOM 107 CD1 ILE A 6 -9.925 -2.275 -1.532 1.00 0.00 C ATOM 0 H ILE A 6 -8.281 -4.739 -2.483 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.174 -2.556 -4.079 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.500 -1.807 -1.491 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.307 -3.388 -0.697 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.415 -1.735 -0.125 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.948 0.142 -1.923 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.001 -0.311 -3.360 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.726 -0.740 -3.259 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.619 -2.590 -0.752 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.144 -1.247 -1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.035 -2.925 -2.400 1.00 0.00 H new ATOM 119 N ALA A 7 -4.850 -3.377 -3.490 1.00 0.00 N ATOM 120 CA ALA A 7 -3.545 -3.997 -3.299 1.00 0.00 C ATOM 121 C ALA A 7 -2.509 -2.952 -2.950 1.00 0.00 C ATOM 122 O ALA A 7 -2.347 -1.985 -3.677 1.00 0.00 O ATOM 123 CB ALA A 7 -3.121 -4.743 -4.552 1.00 0.00 C ATOM 0 H ALA A 7 -4.862 -2.626 -4.180 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.623 -4.707 -2.475 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.144 -5.199 -4.391 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.852 -5.520 -4.778 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.062 -4.046 -5.388 1.00 0.00 H new ATOM 129 N VAL A 8 -1.806 -3.138 -1.848 1.00 0.00 N ATOM 130 CA VAL A 8 -0.794 -2.173 -1.444 1.00 0.00 C ATOM 131 C VAL A 8 0.485 -2.861 -0.988 1.00 0.00 C ATOM 132 O VAL A 8 0.471 -4.015 -0.568 1.00 0.00 O ATOM 133 CB VAL A 8 -1.323 -1.226 -0.337 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.567 -1.800 0.327 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.254 -0.926 0.709 1.00 0.00 C ATOM 0 H VAL A 8 -1.913 -3.936 -1.222 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.560 -1.572 -2.322 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.590 -0.287 -0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.916 -1.115 1.099 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.349 -1.934 -0.420 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.327 -2.763 0.778 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.664 -0.259 1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.067 -1.856 1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.600 -0.448 0.229 1.00 0.00 H new ATOM 145 N GLY A 9 1.588 -2.131 -1.076 1.00 0.00 N ATOM 146 CA GLY A 9 2.872 -2.659 -0.670 1.00 0.00 C ATOM 147 C GLY A 9 3.804 -1.566 -0.194 1.00 0.00 C ATOM 148 O GLY A 9 4.044 -0.594 -0.910 1.00 0.00 O ATOM 0 H GLY A 9 1.614 -1.173 -1.425 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.729 -3.388 0.128 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.329 -3.187 -1.507 1.00 0.00 H new ATOM 152 N ILE A 10 4.340 -1.720 1.011 1.00 0.00 N ATOM 153 CA ILE A 10 5.258 -0.726 1.557 1.00 0.00 C ATOM 154 C ILE A 10 6.582 -0.785 0.807 1.00 0.00 C ATOM 155 O ILE A 10 7.323 -1.759 0.925 1.00 0.00 O ATOM 156 CB ILE A 10 5.523 -0.912 3.077 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.787 -2.135 3.639 1.00 0.00 C ATOM 158 CG2 ILE A 10 5.118 0.342 3.840 1.00 0.00 C ATOM 159 CD1 ILE A 10 4.982 -2.329 5.128 1.00 0.00 C ATOM 0 H ILE A 10 4.158 -2.515 1.624 1.00 0.00 H new ATOM 0 HA ILE A 10 4.782 0.246 1.428 1.00 0.00 H new ATOM 0 HB ILE A 10 6.592 -1.082 3.206 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.722 -2.035 3.431 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.131 -3.028 3.117 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.309 0.198 4.904 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.698 1.191 3.479 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.057 0.536 3.685 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.433 -3.212 5.455 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.043 -2.461 5.342 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.611 -1.453 5.661 1.00 0.00 H new ATOM 171 N ILE A 11 6.868 0.254 0.025 1.00 0.00 N ATOM 172 CA ILE A 11 8.097 0.300 -0.761 1.00 0.00 C ATOM 173 C ILE A 11 9.316 0.510 0.126 1.00 0.00 C ATOM 174 O ILE A 11 9.415 1.506 0.839 1.00 0.00 O ATOM 175 CB ILE A 11 8.059 1.414 -1.825 1.00 0.00 C ATOM 176 CG1 ILE A 11 6.651 1.546 -2.418 1.00 0.00 C ATOM 177 CG2 ILE A 11 9.079 1.120 -2.917 1.00 0.00 C ATOM 178 CD1 ILE A 11 6.621 2.225 -3.770 1.00 0.00 C ATOM 0 H ILE A 11 6.268 1.072 -0.080 1.00 0.00 H new ATOM 0 HA ILE A 11 8.174 -0.665 -1.262 1.00 0.00 H new ATOM 0 HB ILE A 11 8.315 2.362 -1.353 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.211 0.553 -2.510 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.026 2.109 -1.725 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.048 1.911 -3.667 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.077 1.073 -2.480 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.844 0.165 -3.387 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.592 2.282 -4.126 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.031 3.231 -3.681 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.218 1.651 -4.479 1.00 0.00 H new ATOM 190 N ARG A 12 10.238 -0.446 0.077 1.00 0.00 N ATOM 191 CA ARG A 12 11.457 -0.391 0.875 1.00 0.00 C ATOM 192 C ARG A 12 12.525 0.459 0.204 1.00 0.00 C ATOM 193 O ARG A 12 12.901 0.215 -0.946 1.00 0.00 O ATOM 194 CB ARG A 12 11.994 -1.800 1.127 1.00 0.00 C ATOM 195 CG ARG A 12 11.781 -2.272 2.556 1.00 0.00 C ATOM 196 CD ARG A 12 13.078 -2.717 3.219 1.00 0.00 C ATOM 197 NE ARG A 12 14.222 -1.894 2.825 1.00 0.00 N ATOM 198 CZ ARG A 12 15.278 -2.352 2.150 1.00 0.00 C ATOM 199 NH1 ARG A 12 15.344 -3.625 1.777 1.00 0.00 N ATOM 200 NH2 ARG A 12 16.271 -1.530 1.843 1.00 0.00 N ATOM 0 H ARG A 12 10.162 -1.275 -0.513 1.00 0.00 H new ATOM 0 HA ARG A 12 11.205 0.073 1.829 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.506 -2.496 0.444 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.059 -1.823 0.898 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.336 -1.466 3.139 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.071 -3.099 2.561 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.961 -2.676 4.302 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.276 -3.757 2.959 1.00 0.00 H new ATOM 0 HE ARG A 12 14.212 -0.907 3.083 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.582 -4.264 2.006 1.00 0.00 H new ATOM 0 HH12 ARG A 12 16.156 -3.964 1.261 1.00 0.00 H new ATOM 0 HH21 ARG A 12 16.227 -0.550 2.123 1.00 0.00 H new ATOM 0 HH22 ARG A 12 17.080 -1.877 1.327 1.00 0.00 H new ATOM 214 N ASN A 13 13.002 1.457 0.942 1.00 0.00 N ATOM 215 CA ASN A 13 14.029 2.373 0.456 1.00 0.00 C ATOM 216 C ASN A 13 15.390 1.708 0.325 1.00 0.00 C ATOM 217 O ASN A 13 15.536 0.493 0.449 1.00 0.00 O ATOM 218 CB ASN A 13 14.158 3.597 1.353 1.00 0.00 C ATOM 219 CG ASN A 13 14.400 4.871 0.566 1.00 0.00 C ATOM 220 OD1 ASN A 13 14.339 4.877 -0.663 1.00 0.00 O ATOM 221 ND2 ASN A 13 14.688 5.958 1.272 1.00 0.00 N ATOM 0 H ASN A 13 12.688 1.653 1.892 1.00 0.00 H new ATOM 0 HA ASN A 13 13.701 2.683 -0.536 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.250 3.707 1.945 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.979 3.445 2.054 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.869 6.842 0.796 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.728 5.909 2.290 1.00 0.00 H new ATOM 228 N GLU A 14 16.370 2.550 0.047 1.00 0.00 N ATOM 229 CA GLU A 14 17.754 2.135 -0.146 1.00 0.00 C ATOM 230 C GLU A 14 18.381 1.535 1.113 1.00 0.00 C ATOM 231 O GLU A 14 19.463 0.953 1.050 1.00 0.00 O ATOM 232 CB GLU A 14 18.570 3.345 -0.604 1.00 0.00 C ATOM 233 CG GLU A 14 20.074 3.109 -0.625 1.00 0.00 C ATOM 234 CD GLU A 14 20.467 1.927 -1.487 1.00 0.00 C ATOM 235 OE1 GLU A 14 20.267 1.996 -2.718 1.00 0.00 O ATOM 236 OE2 GLU A 14 20.974 0.930 -0.931 1.00 0.00 O ATOM 0 H GLU A 14 16.228 3.555 -0.053 1.00 0.00 H new ATOM 0 HA GLU A 14 17.761 1.349 -0.901 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.244 3.632 -1.604 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.354 4.186 0.055 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.573 4.005 -0.994 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.426 2.944 0.393 1.00 0.00 H new ATOM 243 N ASN A 15 17.719 1.683 2.250 1.00 0.00 N ATOM 244 CA ASN A 15 18.254 1.153 3.502 1.00 0.00 C ATOM 245 C ASN A 15 17.222 0.305 4.242 1.00 0.00 C ATOM 246 O ASN A 15 17.236 -0.922 4.152 1.00 0.00 O ATOM 247 CB ASN A 15 18.742 2.300 4.395 1.00 0.00 C ATOM 248 CG ASN A 15 19.278 1.814 5.727 1.00 0.00 C ATOM 249 OD1 ASN A 15 19.536 0.624 5.909 1.00 0.00 O ATOM 250 ND2 ASN A 15 19.448 2.736 6.669 1.00 0.00 N ATOM 0 H ASN A 15 16.821 2.159 2.336 1.00 0.00 H new ATOM 0 HA ASN A 15 19.097 0.506 3.257 1.00 0.00 H new ATOM 0 HB2 ASN A 15 19.523 2.854 3.874 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.920 2.994 4.570 1.00 0.00 H new ATOM 0 HD21 ASN A 15 19.805 2.468 7.586 1.00 0.00 H new ATOM 0 HD22 ASN A 15 19.221 3.711 6.475 1.00 0.00 H new ATOM 257 N ASN A 16 16.335 0.963 4.981 1.00 0.00 N ATOM 258 CA ASN A 16 15.307 0.258 5.741 1.00 0.00 C ATOM 259 C ASN A 16 14.076 1.134 5.966 1.00 0.00 C ATOM 260 O ASN A 16 13.220 0.814 6.790 1.00 0.00 O ATOM 261 CB ASN A 16 15.867 -0.204 7.088 1.00 0.00 C ATOM 262 CG ASN A 16 16.313 0.956 7.958 1.00 0.00 C ATOM 263 OD1 ASN A 16 17.383 1.527 7.749 1.00 0.00 O ATOM 264 ND2 ASN A 16 15.491 1.308 8.940 1.00 0.00 N ATOM 0 H ASN A 16 16.306 1.979 5.070 1.00 0.00 H new ATOM 0 HA ASN A 16 15.003 -0.611 5.157 1.00 0.00 H new ATOM 0 HB2 ASN A 16 15.107 -0.779 7.616 1.00 0.00 H new ATOM 0 HB3 ASN A 16 16.711 -0.872 6.917 1.00 0.00 H new ATOM 0 HD21 ASN A 16 15.737 2.081 9.559 1.00 0.00 H new ATOM 0 HD22 ASN A 16 14.614 0.805 9.076 1.00 0.00 H new ATOM 271 N GLU A 17 13.980 2.226 5.217 1.00 0.00 N ATOM 272 CA GLU A 17 12.841 3.127 5.325 1.00 0.00 C ATOM 273 C GLU A 17 11.879 2.858 4.178 1.00 0.00 C ATOM 274 O GLU A 17 12.260 2.258 3.180 1.00 0.00 O ATOM 275 CB GLU A 17 13.285 4.597 5.316 1.00 0.00 C ATOM 276 CG GLU A 17 14.640 4.836 4.666 1.00 0.00 C ATOM 277 CD GLU A 17 15.045 6.296 4.682 1.00 0.00 C ATOM 278 OE1 GLU A 17 14.165 7.159 4.470 1.00 0.00 O ATOM 279 OE2 GLU A 17 16.241 6.579 4.904 1.00 0.00 O ATOM 0 H GLU A 17 14.678 2.508 4.528 1.00 0.00 H new ATOM 0 HA GLU A 17 12.341 2.943 6.276 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.534 5.188 4.792 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.318 4.961 6.343 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.397 4.247 5.185 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.612 4.482 3.636 1.00 0.00 H new ATOM 286 N ILE A 18 10.634 3.279 4.325 1.00 0.00 N ATOM 287 CA ILE A 18 9.643 3.049 3.284 1.00 0.00 C ATOM 288 C ILE A 18 8.799 4.295 3.030 1.00 0.00 C ATOM 289 O ILE A 18 8.457 5.029 3.957 1.00 0.00 O ATOM 290 CB ILE A 18 8.734 1.857 3.651 1.00 0.00 C ATOM 291 CG1 ILE A 18 9.505 0.541 3.516 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.479 1.830 2.788 1.00 0.00 C ATOM 293 CD1 ILE A 18 9.092 -0.510 4.521 1.00 0.00 C ATOM 0 H ILE A 18 10.287 3.777 5.145 1.00 0.00 H new ATOM 0 HA ILE A 18 10.181 2.813 2.366 1.00 0.00 H new ATOM 0 HB ILE A 18 8.422 1.979 4.688 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.360 0.146 2.510 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.570 0.741 3.629 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.860 0.979 3.072 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.917 2.752 2.935 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.761 1.740 1.739 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.680 -1.414 4.365 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.263 -0.136 5.530 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.034 -0.739 4.394 1.00 0.00 H new ATOM 305 N PHE A 19 8.474 4.526 1.761 1.00 0.00 N ATOM 306 CA PHE A 19 7.677 5.681 1.368 1.00 0.00 C ATOM 307 C PHE A 19 6.191 5.328 1.314 1.00 0.00 C ATOM 308 O PHE A 19 5.794 4.347 0.686 1.00 0.00 O ATOM 309 CB PHE A 19 8.165 6.214 0.008 1.00 0.00 C ATOM 310 CG PHE A 19 7.101 6.295 -1.056 1.00 0.00 C ATOM 311 CD1 PHE A 19 6.694 5.158 -1.736 1.00 0.00 C ATOM 312 CD2 PHE A 19 6.513 7.509 -1.376 1.00 0.00 C ATOM 313 CE1 PHE A 19 5.720 5.230 -2.713 1.00 0.00 C ATOM 314 CE2 PHE A 19 5.538 7.586 -2.354 1.00 0.00 C ATOM 315 CZ PHE A 19 5.142 6.444 -3.022 1.00 0.00 C ATOM 0 H PHE A 19 8.752 3.925 0.985 1.00 0.00 H new ATOM 0 HA PHE A 19 7.802 6.463 2.117 1.00 0.00 H new ATOM 0 HB2 PHE A 19 8.590 7.207 0.154 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.970 5.572 -0.351 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.143 4.205 -1.499 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.820 8.404 -0.856 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.411 4.336 -3.235 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.087 8.537 -2.595 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.380 6.501 -3.786 1.00 0.00 H new ATOM 325 N ILE A 20 5.375 6.146 1.971 1.00 0.00 N ATOM 326 CA ILE A 20 3.933 5.939 1.993 1.00 0.00 C ATOM 327 C ILE A 20 3.216 7.227 1.600 1.00 0.00 C ATOM 328 O ILE A 20 3.635 8.319 1.984 1.00 0.00 O ATOM 329 CB ILE A 20 3.429 5.485 3.384 1.00 0.00 C ATOM 330 CG1 ILE A 20 4.594 5.320 4.366 1.00 0.00 C ATOM 331 CG2 ILE A 20 2.649 4.186 3.265 1.00 0.00 C ATOM 332 CD1 ILE A 20 4.152 5.173 5.806 1.00 0.00 C ATOM 0 H ILE A 20 5.690 6.961 2.497 1.00 0.00 H new ATOM 0 HA ILE A 20 3.711 5.147 1.278 1.00 0.00 H new ATOM 0 HB ILE A 20 2.767 6.259 3.773 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.177 4.444 4.082 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.254 6.183 4.283 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.301 3.879 4.251 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.792 4.335 2.608 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.294 3.411 2.850 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.027 5.060 6.446 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.594 6.059 6.108 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.516 4.293 5.903 1.00 0.00 H new ATOM 344 N THR A 21 2.143 7.101 0.829 1.00 0.00 N ATOM 345 CA THR A 21 1.387 8.268 0.388 1.00 0.00 C ATOM 346 C THR A 21 0.608 8.886 1.544 1.00 0.00 C ATOM 347 O THR A 21 -0.341 8.291 2.054 1.00 0.00 O ATOM 348 CB THR A 21 0.430 7.887 -0.742 1.00 0.00 C ATOM 349 OG1 THR A 21 -0.734 7.267 -0.226 1.00 0.00 O ATOM 350 CG2 THR A 21 1.042 6.946 -1.757 1.00 0.00 C ATOM 0 H THR A 21 1.778 6.208 0.497 1.00 0.00 H new ATOM 0 HA THR A 21 2.097 9.008 0.019 1.00 0.00 H new ATOM 0 HB THR A 21 0.189 8.825 -1.243 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.665 7.202 0.749 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.308 6.717 -2.530 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.913 7.418 -2.212 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.346 6.024 -1.261 1.00 0.00 H new ATOM 358 N ARG A 22 1.013 10.085 1.954 1.00 0.00 N ATOM 359 CA ARG A 22 0.348 10.777 3.051 1.00 0.00 C ATOM 360 C ARG A 22 -0.863 11.560 2.552 1.00 0.00 C ATOM 361 O ARG A 22 -0.778 12.761 2.306 1.00 0.00 O ATOM 362 CB ARG A 22 1.327 11.722 3.751 1.00 0.00 C ATOM 363 CG ARG A 22 0.753 12.382 4.995 1.00 0.00 C ATOM 364 CD ARG A 22 1.772 12.432 6.122 1.00 0.00 C ATOM 365 NE ARG A 22 1.589 13.604 6.976 1.00 0.00 N ATOM 366 CZ ARG A 22 2.023 14.823 6.665 1.00 0.00 C ATOM 367 NH1 ARG A 22 2.665 15.036 5.523 1.00 0.00 N ATOM 368 NH2 ARG A 22 1.816 15.832 7.500 1.00 0.00 N ATOM 0 H ARG A 22 1.796 10.595 1.544 1.00 0.00 H new ATOM 0 HA ARG A 22 0.002 10.027 3.762 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.223 11.165 4.026 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.636 12.496 3.049 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.427 13.394 4.753 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.129 11.833 5.325 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.690 11.528 6.725 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.777 12.444 5.701 1.00 0.00 H new ATOM 0 HE ARG A 22 1.100 13.480 7.862 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.828 14.263 4.878 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.995 15.973 5.291 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.325 15.673 8.380 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.148 16.767 7.263 1.00 0.00 H new ATOM 382 N ARG A 23 -1.991 10.868 2.417 1.00 0.00 N ATOM 383 CA ARG A 23 -3.233 11.487 1.955 1.00 0.00 C ATOM 384 C ARG A 23 -2.999 12.422 0.769 1.00 0.00 C ATOM 385 O ARG A 23 -3.717 13.406 0.593 1.00 0.00 O ATOM 386 CB ARG A 23 -3.897 12.255 3.099 1.00 0.00 C ATOM 387 CG ARG A 23 -4.913 11.429 3.873 1.00 0.00 C ATOM 388 CD ARG A 23 -6.313 12.011 3.758 1.00 0.00 C ATOM 389 NE ARG A 23 -7.086 11.371 2.696 1.00 0.00 N ATOM 390 CZ ARG A 23 -8.174 11.906 2.146 1.00 0.00 C ATOM 391 NH1 ARG A 23 -8.622 13.086 2.555 1.00 0.00 N ATOM 392 NH2 ARG A 23 -8.815 11.258 1.183 1.00 0.00 N ATOM 0 H ARG A 23 -2.072 9.872 2.622 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.892 10.686 1.621 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.127 12.606 3.786 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.391 13.139 2.695 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.912 10.406 3.498 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.622 11.384 4.923 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.834 11.892 4.708 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.246 13.081 3.563 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.774 10.461 2.356 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.132 13.589 3.295 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.456 13.490 2.129 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.474 10.351 0.865 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.649 11.667 0.761 1.00 0.00 H new ATOM 406 N ALA A 24 -1.998 12.106 -0.046 1.00 0.00 N ATOM 407 CA ALA A 24 -1.681 12.916 -1.219 1.00 0.00 C ATOM 408 C ALA A 24 -1.202 14.311 -0.824 1.00 0.00 C ATOM 409 O ALA A 24 -1.312 15.257 -1.605 1.00 0.00 O ATOM 410 CB ALA A 24 -2.896 13.014 -2.131 1.00 0.00 C ATOM 0 H ALA A 24 -1.392 11.296 0.083 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.868 12.426 -1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.649 13.620 -3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.189 12.015 -2.455 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.721 13.477 -1.589 1.00 0.00 H new ATOM 416 N ALA A 25 -0.671 14.436 0.388 1.00 0.00 N ATOM 417 CA ALA A 25 -0.175 15.717 0.882 1.00 0.00 C ATOM 418 C ALA A 25 -1.209 16.824 0.691 1.00 0.00 C ATOM 419 O ALA A 25 -0.897 17.896 0.173 1.00 0.00 O ATOM 420 CB ALA A 25 1.128 16.080 0.185 1.00 0.00 C ATOM 0 H ALA A 25 -0.573 13.664 1.048 1.00 0.00 H new ATOM 0 HA ALA A 25 0.011 15.617 1.951 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.488 17.037 0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.873 15.309 0.382 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.958 16.154 -0.889 1.00 0.00 H new ATOM 426 N ASP A 26 -2.441 16.555 1.112 1.00 0.00 N ATOM 427 CA ASP A 26 -3.520 17.530 0.985 1.00 0.00 C ATOM 428 C ASP A 26 -3.714 18.309 2.282 1.00 0.00 C ATOM 429 O ASP A 26 -4.789 18.855 2.532 1.00 0.00 O ATOM 430 CB ASP A 26 -4.823 16.827 0.599 1.00 0.00 C ATOM 431 CG ASP A 26 -5.262 15.812 1.635 1.00 0.00 C ATOM 432 OD1 ASP A 26 -4.402 15.350 2.414 1.00 0.00 O ATOM 433 OD2 ASP A 26 -6.465 15.478 1.668 1.00 0.00 O ATOM 0 H ASP A 26 -2.717 15.673 1.543 1.00 0.00 H new ATOM 0 HA ASP A 26 -3.246 18.236 0.201 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -5.609 17.571 0.468 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.693 16.328 -0.361 1.00 0.00 H new ATOM 438 N ALA A 27 -2.669 18.362 3.103 1.00 0.00 N ATOM 439 CA ALA A 27 -2.728 19.079 4.373 1.00 0.00 C ATOM 440 C ALA A 27 -3.768 18.467 5.307 1.00 0.00 C ATOM 441 O ALA A 27 -3.432 17.698 6.207 1.00 0.00 O ATOM 442 CB ALA A 27 -3.026 20.551 4.135 1.00 0.00 C ATOM 0 H ALA A 27 -1.771 17.917 2.912 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.754 18.991 4.855 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.067 21.073 5.091 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.240 20.986 3.517 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.985 20.650 3.626 1.00 0.00 H new ATOM 448 N HIS A 28 -5.033 18.813 5.087 1.00 0.00 N ATOM 449 CA HIS A 28 -6.123 18.298 5.911 1.00 0.00 C ATOM 450 C HIS A 28 -6.164 16.774 5.869 1.00 0.00 C ATOM 451 O HIS A 28 -5.728 16.157 4.897 1.00 0.00 O ATOM 452 CB HIS A 28 -7.461 18.870 5.438 1.00 0.00 C ATOM 453 CG HIS A 28 -8.371 19.268 6.558 1.00 0.00 C ATOM 454 ND1 HIS A 28 -7.919 19.840 7.728 1.00 0.00 N ATOM 455 CD2 HIS A 28 -9.716 19.174 6.682 1.00 0.00 C ATOM 456 CE1 HIS A 28 -8.946 20.080 8.524 1.00 0.00 C ATOM 457 NE2 HIS A 28 -10.047 19.686 7.913 1.00 0.00 N ATOM 0 H HIS A 28 -5.329 19.448 4.345 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.946 18.610 6.940 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.273 19.739 4.807 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -7.965 18.129 4.817 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -10.401 18.772 5.950 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -8.893 20.523 9.507 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.991 19.751 8.293 1.00 0.00 H new ATOM 466 N MET A 29 -6.689 16.172 6.931 1.00 0.00 N ATOM 467 CA MET A 29 -6.787 14.719 7.017 1.00 0.00 C ATOM 468 C MET A 29 -5.408 14.076 6.919 1.00 0.00 C ATOM 469 O MET A 29 -5.225 13.075 6.227 1.00 0.00 O ATOM 470 CB MET A 29 -7.696 14.182 5.909 1.00 0.00 C ATOM 471 CG MET A 29 -9.041 14.886 5.832 1.00 0.00 C ATOM 472 SD MET A 29 -10.386 13.766 5.399 1.00 0.00 S ATOM 473 CE MET A 29 -11.771 14.901 5.357 1.00 0.00 C ATOM 0 H MET A 29 -7.053 16.668 7.745 1.00 0.00 H new ATOM 0 HA MET A 29 -7.218 14.464 7.985 1.00 0.00 H new ATOM 0 HB2 MET A 29 -7.186 14.284 4.951 1.00 0.00 H new ATOM 0 HB3 MET A 29 -7.861 13.117 6.070 1.00 0.00 H new ATOM 0 HG2 MET A 29 -9.258 15.354 6.792 1.00 0.00 H new ATOM 0 HG3 MET A 29 -8.987 15.685 5.093 1.00 0.00 H new ATOM 0 HE1 MET A 29 -12.680 14.356 5.102 1.00 0.00 H new ATOM 0 HE2 MET A 29 -11.890 15.367 6.335 1.00 0.00 H new ATOM 0 HE3 MET A 29 -11.587 15.672 4.608 1.00 0.00 H new ATOM 483 N ALA A 30 -4.439 14.660 7.616 1.00 0.00 N ATOM 484 CA ALA A 30 -3.073 14.147 7.609 1.00 0.00 C ATOM 485 C ALA A 30 -2.953 12.849 8.408 1.00 0.00 C ATOM 486 O ALA A 30 -1.913 12.192 8.381 1.00 0.00 O ATOM 487 CB ALA A 30 -2.117 15.194 8.159 1.00 0.00 C ATOM 0 H ALA A 30 -4.574 15.490 8.194 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.807 13.925 6.576 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.101 14.800 8.149 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.165 16.091 7.541 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.399 15.443 9.182 1.00 0.00 H new ATOM 493 N ASN A 31 -4.017 12.485 9.121 1.00 0.00 N ATOM 494 CA ASN A 31 -4.015 11.268 9.926 1.00 0.00 C ATOM 495 C ASN A 31 -4.464 10.053 9.114 1.00 0.00 C ATOM 496 O ASN A 31 -4.757 8.997 9.677 1.00 0.00 O ATOM 497 CB ASN A 31 -4.921 11.443 11.147 1.00 0.00 C ATOM 498 CG ASN A 31 -4.140 11.494 12.446 1.00 0.00 C ATOM 499 OD1 ASN A 31 -4.470 10.805 13.410 1.00 0.00 O ATOM 500 ND2 ASN A 31 -3.096 12.315 12.476 1.00 0.00 N ATOM 0 H ASN A 31 -4.888 13.014 9.157 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.991 11.091 10.255 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.499 12.361 11.038 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.634 10.620 11.187 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.532 12.392 13.322 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.858 12.868 11.653 1.00 0.00 H new ATOM 507 N LYS A 32 -4.515 10.198 7.791 1.00 0.00 N ATOM 508 CA LYS A 32 -4.927 9.102 6.919 1.00 0.00 C ATOM 509 C LYS A 32 -3.781 8.639 6.033 1.00 0.00 C ATOM 510 O LYS A 32 -3.997 8.097 4.948 1.00 0.00 O ATOM 511 CB LYS A 32 -6.126 9.507 6.065 1.00 0.00 C ATOM 512 CG LYS A 32 -7.439 8.909 6.543 1.00 0.00 C ATOM 513 CD LYS A 32 -8.516 9.004 5.477 1.00 0.00 C ATOM 514 CE LYS A 32 -9.909 8.906 6.080 1.00 0.00 C ATOM 515 NZ LYS A 32 -10.532 10.245 6.262 1.00 0.00 N ATOM 0 H LYS A 32 -4.277 11.061 7.302 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.220 8.268 7.557 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.210 10.594 6.063 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.949 9.199 5.035 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.286 7.865 6.815 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.770 9.428 7.443 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.416 9.948 4.941 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.378 8.207 4.747 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.541 8.296 5.435 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.853 8.398 7.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.480 10.134 6.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.942 10.819 6.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.610 10.720 5.340 1.00 0.00 H new ATOM 529 N LEU A 33 -2.565 8.851 6.508 1.00 0.00 N ATOM 530 CA LEU A 33 -1.366 8.455 5.781 1.00 0.00 C ATOM 531 C LEU A 33 -1.515 7.034 5.237 1.00 0.00 C ATOM 532 O LEU A 33 -1.364 6.064 5.974 1.00 0.00 O ATOM 533 CB LEU A 33 -0.160 8.540 6.719 1.00 0.00 C ATOM 534 CG LEU A 33 1.202 8.739 6.047 1.00 0.00 C ATOM 535 CD1 LEU A 33 2.323 8.353 6.999 1.00 0.00 C ATOM 536 CD2 LEU A 33 1.299 7.935 4.758 1.00 0.00 C ATOM 0 H LEU A 33 -2.379 9.300 7.405 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.218 9.128 4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.323 9.363 7.414 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.120 7.626 7.311 1.00 0.00 H new ATOM 0 HG LEU A 33 1.304 9.794 5.795 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.285 8.500 6.507 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.273 8.976 7.892 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.216 7.306 7.281 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.276 8.095 4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.171 6.875 4.980 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.519 8.258 4.068 1.00 0.00 H new ATOM 548 N GLU A 34 -1.837 6.916 3.952 1.00 0.00 N ATOM 549 CA GLU A 34 -2.034 5.605 3.341 1.00 0.00 C ATOM 550 C GLU A 34 -0.884 5.221 2.416 1.00 0.00 C ATOM 551 O GLU A 34 0.129 5.916 2.334 1.00 0.00 O ATOM 552 CB GLU A 34 -3.355 5.573 2.571 1.00 0.00 C ATOM 553 CG GLU A 34 -4.108 4.259 2.707 1.00 0.00 C ATOM 554 CD GLU A 34 -4.341 3.577 1.373 1.00 0.00 C ATOM 555 OE1 GLU A 34 -3.426 2.870 0.901 1.00 0.00 O ATOM 556 OE2 GLU A 34 -5.437 3.749 0.801 1.00 0.00 O ATOM 0 H GLU A 34 -1.966 7.705 3.318 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.064 4.874 4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.991 6.385 2.924 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.155 5.760 1.516 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.547 3.590 3.360 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.068 4.443 3.189 1.00 0.00 H new ATOM 563 N PHE A 35 -1.054 4.093 1.732 1.00 0.00 N ATOM 564 CA PHE A 35 -0.041 3.582 0.817 1.00 0.00 C ATOM 565 C PHE A 35 -0.584 3.473 -0.611 1.00 0.00 C ATOM 566 O PHE A 35 -1.789 3.576 -0.839 1.00 0.00 O ATOM 567 CB PHE A 35 0.474 2.209 1.278 1.00 0.00 C ATOM 568 CG PHE A 35 0.043 1.807 2.667 1.00 0.00 C ATOM 569 CD1 PHE A 35 -1.292 1.564 2.955 1.00 0.00 C ATOM 570 CD2 PHE A 35 0.977 1.669 3.682 1.00 0.00 C ATOM 571 CE1 PHE A 35 -1.685 1.193 4.226 1.00 0.00 C ATOM 572 CE2 PHE A 35 0.588 1.299 4.955 1.00 0.00 C ATOM 573 CZ PHE A 35 -0.745 1.061 5.228 1.00 0.00 C ATOM 0 H PHE A 35 -1.890 3.513 1.796 1.00 0.00 H new ATOM 0 HA PHE A 35 0.786 4.292 0.822 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.131 1.452 0.573 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.563 2.212 1.237 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.033 1.666 2.176 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.021 1.853 3.475 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.728 1.006 4.436 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.326 1.196 5.737 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.051 0.772 6.223 1.00 0.00 H new ATOM 583 N PRO A 36 0.313 3.247 -1.588 1.00 0.00 N ATOM 584 CA PRO A 36 -0.047 3.101 -3.003 1.00 0.00 C ATOM 585 C PRO A 36 -0.679 1.742 -3.298 1.00 0.00 C ATOM 586 O PRO A 36 -0.653 0.845 -2.457 1.00 0.00 O ATOM 587 CB PRO A 36 1.287 3.241 -3.724 1.00 0.00 C ATOM 588 CG PRO A 36 2.283 2.714 -2.753 1.00 0.00 C ATOM 589 CD PRO A 36 1.770 3.095 -1.387 1.00 0.00 C ATOM 0 HA PRO A 36 -0.790 3.834 -3.316 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.299 2.673 -4.654 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.493 4.280 -3.982 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.384 1.633 -2.845 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.269 3.142 -2.933 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.994 2.327 -0.647 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.224 4.021 -1.033 1.00 0.00 H new ATOM 597 N GLY A 37 -1.250 1.591 -4.493 1.00 0.00 N ATOM 598 CA GLY A 37 -1.878 0.329 -4.849 1.00 0.00 C ATOM 599 C GLY A 37 -3.393 0.345 -4.774 1.00 0.00 C ATOM 600 O GLY A 37 -4.014 -0.421 -4.038 1.00 0.00 O ATOM 0 H GLY A 37 -1.289 2.312 -5.213 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.578 0.060 -5.862 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.501 -0.451 -4.187 1.00 0.00 H new ATOM 604 N GLY A 38 -3.971 1.230 -5.557 1.00 0.00 N ATOM 605 CA GLY A 38 -5.413 1.379 -5.625 1.00 0.00 C ATOM 606 C GLY A 38 -5.948 1.163 -7.034 1.00 0.00 C ATOM 607 O GLY A 38 -5.344 1.627 -8.004 1.00 0.00 O ATOM 0 H GLY A 38 -3.457 1.867 -6.165 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.882 0.666 -4.947 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.690 2.376 -5.282 1.00 0.00 H new ATOM 611 N LYS A 39 -7.085 0.460 -7.143 1.00 0.00 N ATOM 612 CA LYS A 39 -7.729 0.171 -8.432 1.00 0.00 C ATOM 613 C LYS A 39 -7.295 -1.179 -8.995 1.00 0.00 C ATOM 614 O LYS A 39 -7.811 -1.619 -10.023 1.00 0.00 O ATOM 615 CB LYS A 39 -7.455 1.265 -9.468 1.00 0.00 C ATOM 616 CG LYS A 39 -8.283 1.109 -10.732 1.00 0.00 C ATOM 617 CD LYS A 39 -9.144 2.335 -10.993 1.00 0.00 C ATOM 618 CE LYS A 39 -10.158 2.551 -9.880 1.00 0.00 C ATOM 619 NZ LYS A 39 -9.647 3.481 -8.835 1.00 0.00 N ATOM 0 H LYS A 39 -7.583 0.076 -6.340 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.800 0.140 -8.232 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.662 2.238 -9.023 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.397 1.252 -9.730 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.622 0.941 -11.582 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.920 0.229 -10.644 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.508 3.215 -11.083 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.665 2.220 -11.944 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.080 2.951 -10.302 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.405 1.593 -9.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.380 2.939 -7.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.814 3.988 -9.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.389 4.167 -8.588 1.00 0.00 H new ATOM 633 N ILE A 40 -6.354 -1.839 -8.322 1.00 0.00 N ATOM 634 CA ILE A 40 -5.869 -3.146 -8.768 1.00 0.00 C ATOM 635 C ILE A 40 -7.021 -4.041 -9.193 1.00 0.00 C ATOM 636 O ILE A 40 -6.983 -4.681 -10.246 1.00 0.00 O ATOM 637 CB ILE A 40 -5.068 -3.879 -7.669 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.234 -5.399 -7.815 1.00 0.00 C ATOM 639 CG2 ILE A 40 -5.515 -3.418 -6.294 1.00 0.00 C ATOM 640 CD1 ILE A 40 -4.297 -6.210 -6.956 1.00 0.00 C ATOM 0 H ILE A 40 -5.913 -1.493 -7.470 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.212 -2.950 -9.615 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.011 -3.637 -7.783 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.261 -5.666 -7.565 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.079 -5.671 -8.859 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.942 -3.943 -5.530 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.349 -2.345 -6.198 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.575 -3.634 -6.165 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.481 -7.272 -7.120 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.266 -5.975 -7.220 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.466 -5.970 -5.906 1.00 0.00 H new ATOM 652 N GLU A 41 -8.027 -4.079 -8.340 1.00 0.00 N ATOM 653 CA GLU A 41 -9.224 -4.891 -8.547 1.00 0.00 C ATOM 654 C GLU A 41 -9.551 -5.052 -10.030 1.00 0.00 C ATOM 655 O GLU A 41 -9.272 -6.095 -10.621 1.00 0.00 O ATOM 656 CB GLU A 41 -10.408 -4.273 -7.797 1.00 0.00 C ATOM 657 CG GLU A 41 -10.431 -2.748 -7.819 1.00 0.00 C ATOM 658 CD GLU A 41 -11.713 -2.188 -8.405 1.00 0.00 C ATOM 659 OE1 GLU A 41 -12.707 -2.075 -7.658 1.00 0.00 O ATOM 660 OE2 GLU A 41 -11.722 -1.864 -9.611 1.00 0.00 O ATOM 0 H GLU A 41 -8.042 -3.543 -7.472 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.028 -5.887 -8.150 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.335 -4.646 -8.233 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.384 -4.611 -6.761 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.307 -2.373 -6.803 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.583 -2.385 -8.399 1.00 0.00 H new ATOM 667 N MET A 42 -10.131 -4.013 -10.625 1.00 0.00 N ATOM 668 CA MET A 42 -10.489 -4.028 -12.045 1.00 0.00 C ATOM 669 C MET A 42 -11.045 -5.391 -12.479 1.00 0.00 C ATOM 670 O MET A 42 -12.244 -5.642 -12.362 1.00 0.00 O ATOM 671 CB MET A 42 -9.276 -3.648 -12.899 1.00 0.00 C ATOM 672 CG MET A 42 -8.851 -2.198 -12.742 1.00 0.00 C ATOM 673 SD MET A 42 -8.647 -1.354 -14.323 1.00 0.00 S ATOM 674 CE MET A 42 -10.331 -1.366 -14.933 1.00 0.00 C ATOM 0 H MET A 42 -10.365 -3.144 -10.145 1.00 0.00 H new ATOM 0 HA MET A 42 -11.278 -3.291 -12.196 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.439 -4.294 -12.634 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.506 -3.839 -13.947 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.595 -1.669 -12.146 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.912 -2.157 -12.190 1.00 0.00 H new ATOM 0 HE1 MET A 42 -10.456 -0.575 -15.673 1.00 0.00 H new ATOM 0 HE2 MET A 42 -10.544 -2.331 -15.394 1.00 0.00 H new ATOM 0 HE3 MET A 42 -11.019 -1.200 -14.104 1.00 0.00 H new ATOM 684 N GLY A 43 -10.173 -6.265 -12.986 1.00 0.00 N ATOM 685 CA GLY A 43 -10.614 -7.578 -13.425 1.00 0.00 C ATOM 686 C GLY A 43 -9.472 -8.511 -13.784 1.00 0.00 C ATOM 687 O GLY A 43 -9.654 -9.463 -14.542 1.00 0.00 O ATOM 0 H GLY A 43 -9.175 -6.086 -13.099 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.211 -8.035 -12.636 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.265 -7.463 -14.292 1.00 0.00 H new ATOM 691 N GLU A 44 -8.298 -8.238 -13.239 1.00 0.00 N ATOM 692 CA GLU A 44 -7.119 -9.059 -13.503 1.00 0.00 C ATOM 693 C GLU A 44 -7.164 -10.356 -12.690 1.00 0.00 C ATOM 694 O GLU A 44 -8.236 -10.786 -12.264 1.00 0.00 O ATOM 695 CB GLU A 44 -5.847 -8.270 -13.180 1.00 0.00 C ATOM 696 CG GLU A 44 -4.866 -8.199 -14.339 1.00 0.00 C ATOM 697 CD GLU A 44 -4.389 -6.785 -14.614 1.00 0.00 C ATOM 698 OE1 GLU A 44 -4.044 -6.076 -13.647 1.00 0.00 O ATOM 699 OE2 GLU A 44 -4.361 -6.389 -15.798 1.00 0.00 O ATOM 0 H GLU A 44 -8.132 -7.453 -12.609 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.112 -9.323 -14.561 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.122 -7.257 -12.885 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.353 -8.728 -12.324 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.006 -8.833 -14.122 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.339 -8.600 -15.236 1.00 0.00 H new ATOM 706 N THR A 45 -6.003 -10.976 -12.475 1.00 0.00 N ATOM 707 CA THR A 45 -5.933 -12.213 -11.712 1.00 0.00 C ATOM 708 C THR A 45 -5.345 -11.948 -10.332 1.00 0.00 C ATOM 709 O THR A 45 -4.572 -11.010 -10.153 1.00 0.00 O ATOM 710 CB THR A 45 -5.080 -13.247 -12.457 1.00 0.00 C ATOM 711 OG1 THR A 45 -4.743 -12.783 -13.753 1.00 0.00 O ATOM 712 CG2 THR A 45 -5.764 -14.588 -12.617 1.00 0.00 C ATOM 0 H THR A 45 -5.104 -10.640 -12.819 1.00 0.00 H new ATOM 0 HA THR A 45 -6.942 -12.608 -11.594 1.00 0.00 H new ATOM 0 HB THR A 45 -4.191 -13.381 -11.840 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.198 -13.457 -14.210 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.105 -15.271 -13.152 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.992 -15.000 -11.634 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.688 -14.460 -13.180 1.00 0.00 H new ATOM 720 N PRO A 46 -5.693 -12.775 -9.332 1.00 0.00 N ATOM 721 CA PRO A 46 -5.184 -12.622 -7.968 1.00 0.00 C ATOM 722 C PRO A 46 -3.684 -12.333 -7.936 1.00 0.00 C ATOM 723 O PRO A 46 -3.177 -11.752 -6.977 1.00 0.00 O ATOM 724 CB PRO A 46 -5.489 -13.981 -7.311 1.00 0.00 C ATOM 725 CG PRO A 46 -6.038 -14.852 -8.397 1.00 0.00 C ATOM 726 CD PRO A 46 -6.593 -13.923 -9.434 1.00 0.00 C ATOM 0 HA PRO A 46 -5.645 -11.778 -7.456 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.588 -14.417 -6.880 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.208 -13.869 -6.500 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.259 -15.486 -8.819 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.814 -15.514 -8.011 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.576 -14.367 -10.429 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.627 -13.650 -9.224 1.00 0.00 H new ATOM 734 N GLU A 47 -2.978 -12.749 -8.985 1.00 0.00 N ATOM 735 CA GLU A 47 -1.538 -12.539 -9.067 1.00 0.00 C ATOM 736 C GLU A 47 -1.183 -11.365 -9.982 1.00 0.00 C ATOM 737 O GLU A 47 -0.366 -10.519 -9.619 1.00 0.00 O ATOM 738 CB GLU A 47 -0.848 -13.809 -9.566 1.00 0.00 C ATOM 739 CG GLU A 47 -0.483 -14.780 -8.454 1.00 0.00 C ATOM 740 CD GLU A 47 0.515 -14.193 -7.474 1.00 0.00 C ATOM 741 OE1 GLU A 47 1.627 -13.825 -7.907 1.00 0.00 O ATOM 742 OE2 GLU A 47 0.183 -14.101 -6.273 1.00 0.00 O ATOM 0 H GLU A 47 -3.381 -13.233 -9.788 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.186 -12.299 -8.064 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.503 -14.313 -10.277 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.057 -13.532 -10.107 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.387 -15.069 -7.918 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.067 -15.688 -8.891 1.00 0.00 H new ATOM 749 N GLN A 48 -1.783 -11.318 -11.171 1.00 0.00 N ATOM 750 CA GLN A 48 -1.501 -10.244 -12.121 1.00 0.00 C ATOM 751 C GLN A 48 -2.278 -8.975 -11.788 1.00 0.00 C ATOM 752 O GLN A 48 -2.090 -7.941 -12.429 1.00 0.00 O ATOM 753 CB GLN A 48 -1.831 -10.698 -13.545 1.00 0.00 C ATOM 754 CG GLN A 48 -0.996 -11.876 -14.017 1.00 0.00 C ATOM 755 CD GLN A 48 0.091 -11.467 -14.993 1.00 0.00 C ATOM 756 OE1 GLN A 48 0.780 -10.467 -14.789 1.00 0.00 O ATOM 757 NE2 GLN A 48 0.249 -12.240 -16.061 1.00 0.00 N ATOM 0 H GLN A 48 -2.462 -12.006 -11.497 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.438 -10.013 -12.049 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.886 -10.968 -13.596 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.682 -9.861 -14.228 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.540 -12.362 -13.154 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.647 -12.611 -14.491 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.345 -13.059 -16.190 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.964 -12.014 -16.753 1.00 0.00 H new ATOM 766 N ALA A 49 -3.150 -9.051 -10.790 1.00 0.00 N ATOM 767 CA ALA A 49 -3.944 -7.901 -10.394 1.00 0.00 C ATOM 768 C ALA A 49 -3.052 -6.792 -9.848 1.00 0.00 C ATOM 769 O ALA A 49 -3.052 -5.676 -10.367 1.00 0.00 O ATOM 770 CB ALA A 49 -4.990 -8.319 -9.371 1.00 0.00 C ATOM 0 H ALA A 49 -3.323 -9.895 -10.244 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.458 -7.509 -11.271 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.581 -7.451 -9.079 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.644 -9.074 -9.807 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.495 -8.732 -8.492 1.00 0.00 H new ATOM 776 N VAL A 50 -2.281 -7.106 -8.813 1.00 0.00 N ATOM 777 CA VAL A 50 -1.376 -6.123 -8.226 1.00 0.00 C ATOM 778 C VAL A 50 -0.108 -5.978 -9.058 1.00 0.00 C ATOM 779 O VAL A 50 0.347 -4.869 -9.313 1.00 0.00 O ATOM 780 CB VAL A 50 -0.979 -6.453 -6.764 1.00 0.00 C ATOM 781 CG1 VAL A 50 -0.956 -7.950 -6.512 1.00 0.00 C ATOM 782 CG2 VAL A 50 0.371 -5.832 -6.425 1.00 0.00 C ATOM 0 H VAL A 50 -2.263 -8.023 -8.367 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.931 -5.185 -8.220 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.738 -6.022 -6.111 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.673 -8.140 -5.477 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.946 -8.366 -6.700 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.232 -8.420 -7.178 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.634 -6.073 -5.395 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.133 -6.228 -7.097 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.313 -4.750 -6.540 1.00 0.00 H new ATOM 792 N VAL A 51 0.469 -7.104 -9.460 1.00 0.00 N ATOM 793 CA VAL A 51 1.703 -7.093 -10.240 1.00 0.00 C ATOM 794 C VAL A 51 1.589 -6.158 -11.434 1.00 0.00 C ATOM 795 O VAL A 51 2.542 -5.460 -11.781 1.00 0.00 O ATOM 796 CB VAL A 51 2.077 -8.508 -10.729 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.388 -8.483 -11.503 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.166 -9.473 -9.556 1.00 0.00 C ATOM 0 H VAL A 51 0.104 -8.035 -9.260 1.00 0.00 H new ATOM 0 HA VAL A 51 2.492 -6.733 -9.579 1.00 0.00 H new ATOM 0 HB VAL A 51 1.292 -8.855 -11.401 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.632 -9.491 -11.838 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.287 -7.828 -12.368 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.184 -8.112 -10.858 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.431 -10.466 -9.921 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.928 -9.128 -8.858 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.203 -9.518 -9.048 1.00 0.00 H new ATOM 808 N ARG A 52 0.420 -6.140 -12.057 1.00 0.00 N ATOM 809 CA ARG A 52 0.197 -5.278 -13.207 1.00 0.00 C ATOM 810 C ARG A 52 -0.060 -3.842 -12.771 1.00 0.00 C ATOM 811 O ARG A 52 0.585 -2.911 -13.254 1.00 0.00 O ATOM 812 CB ARG A 52 -0.973 -5.790 -14.049 1.00 0.00 C ATOM 813 CG ARG A 52 -0.662 -7.069 -14.808 1.00 0.00 C ATOM 814 CD ARG A 52 -0.328 -6.787 -16.265 1.00 0.00 C ATOM 815 NE ARG A 52 0.793 -7.596 -16.738 1.00 0.00 N ATOM 816 CZ ARG A 52 0.683 -8.870 -17.108 1.00 0.00 C ATOM 817 NH1 ARG A 52 -0.492 -9.485 -17.058 1.00 0.00 N ATOM 818 NH2 ARG A 52 1.753 -9.531 -17.529 1.00 0.00 N ATOM 0 H ARG A 52 -0.383 -6.708 -11.788 1.00 0.00 H new ATOM 0 HA ARG A 52 1.100 -5.296 -13.817 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.830 -5.963 -13.398 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.264 -5.017 -14.760 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.176 -7.580 -14.334 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.517 -7.742 -14.754 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.204 -6.986 -16.882 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.088 -5.730 -16.384 1.00 0.00 H new ATOM 0 HE ARG A 52 1.713 -7.159 -16.788 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.318 -8.981 -16.735 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.569 -10.461 -17.343 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.658 -9.063 -17.569 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.670 -10.507 -17.813 1.00 0.00 H new ATOM 832 N GLU A 53 -1.006 -3.666 -11.856 1.00 0.00 N ATOM 833 CA GLU A 53 -1.344 -2.339 -11.360 1.00 0.00 C ATOM 834 C GLU A 53 -0.161 -1.711 -10.627 1.00 0.00 C ATOM 835 O GLU A 53 -0.063 -0.488 -10.528 1.00 0.00 O ATOM 836 CB GLU A 53 -2.562 -2.407 -10.439 1.00 0.00 C ATOM 837 CG GLU A 53 -3.404 -1.142 -10.465 1.00 0.00 C ATOM 838 CD GLU A 53 -4.672 -1.289 -11.285 1.00 0.00 C ATOM 839 OE1 GLU A 53 -4.867 -2.362 -11.895 1.00 0.00 O ATOM 840 OE2 GLU A 53 -5.471 -0.329 -11.316 1.00 0.00 O ATOM 0 H GLU A 53 -1.551 -4.424 -11.444 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.587 -1.710 -12.217 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.182 -3.255 -10.730 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.228 -2.592 -9.418 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.668 -0.867 -9.444 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.808 -0.324 -10.871 1.00 0.00 H new ATOM 847 N LEU A 54 0.742 -2.551 -10.123 1.00 0.00 N ATOM 848 CA LEU A 54 1.921 -2.068 -9.411 1.00 0.00 C ATOM 849 C LEU A 54 2.677 -1.069 -10.272 1.00 0.00 C ATOM 850 O LEU A 54 3.079 -0.007 -9.801 1.00 0.00 O ATOM 851 CB LEU A 54 2.833 -3.233 -9.027 1.00 0.00 C ATOM 852 CG LEU A 54 3.355 -3.203 -7.589 1.00 0.00 C ATOM 853 CD1 LEU A 54 2.244 -2.847 -6.606 1.00 0.00 C ATOM 854 CD2 LEU A 54 3.987 -4.541 -7.230 1.00 0.00 C ATOM 0 H LEU A 54 0.679 -3.566 -10.195 1.00 0.00 H new ATOM 0 HA LEU A 54 1.595 -1.572 -8.497 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.289 -4.165 -9.180 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.685 -3.246 -9.706 1.00 0.00 H new ATOM 0 HG LEU A 54 4.118 -2.428 -7.519 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.645 -2.834 -5.593 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.843 -1.863 -6.851 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.449 -3.589 -6.671 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.354 -4.506 -6.204 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.242 -5.332 -7.322 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.817 -4.744 -7.906 1.00 0.00 H new ATOM 866 N GLN A 55 2.838 -1.404 -11.545 1.00 0.00 N ATOM 867 CA GLN A 55 3.514 -0.517 -12.480 1.00 0.00 C ATOM 868 C GLN A 55 2.745 0.797 -12.568 1.00 0.00 C ATOM 869 O GLN A 55 3.328 1.866 -12.745 1.00 0.00 O ATOM 870 CB GLN A 55 3.609 -1.172 -13.860 1.00 0.00 C ATOM 871 CG GLN A 55 4.235 -0.278 -14.919 1.00 0.00 C ATOM 872 CD GLN A 55 5.654 -0.689 -15.264 1.00 0.00 C ATOM 873 OE1 GLN A 55 5.921 -1.853 -15.561 1.00 0.00 O ATOM 874 NE2 GLN A 55 6.572 0.270 -15.227 1.00 0.00 N ATOM 0 H GLN A 55 2.511 -2.280 -11.952 1.00 0.00 H new ATOM 0 HA GLN A 55 4.526 -0.321 -12.126 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.194 -2.088 -13.778 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.609 -1.460 -14.185 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.623 -0.306 -15.821 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.235 0.753 -14.565 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.305 1.222 -14.975 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.544 0.055 -15.450 1.00 0.00 H new ATOM 883 N GLU A 56 1.426 0.697 -12.420 1.00 0.00 N ATOM 884 CA GLU A 56 0.553 1.861 -12.457 1.00 0.00 C ATOM 885 C GLU A 56 0.619 2.627 -11.141 1.00 0.00 C ATOM 886 O GLU A 56 0.316 3.817 -11.096 1.00 0.00 O ATOM 887 CB GLU A 56 -0.891 1.432 -12.725 1.00 0.00 C ATOM 888 CG GLU A 56 -1.655 2.389 -13.626 1.00 0.00 C ATOM 889 CD GLU A 56 -2.678 3.216 -12.867 1.00 0.00 C ATOM 890 OE1 GLU A 56 -3.327 2.668 -11.951 1.00 0.00 O ATOM 891 OE2 GLU A 56 -2.828 4.414 -13.190 1.00 0.00 O ATOM 0 H GLU A 56 0.938 -0.187 -12.272 1.00 0.00 H new ATOM 0 HA GLU A 56 0.892 2.513 -13.262 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.888 0.442 -13.181 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.417 1.344 -11.774 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.950 3.056 -14.122 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.160 1.821 -14.407 1.00 0.00 H new ATOM 898 N GLU A 57 0.997 1.935 -10.069 1.00 0.00 N ATOM 899 CA GLU A 57 1.084 2.559 -8.754 1.00 0.00 C ATOM 900 C GLU A 57 2.534 2.747 -8.307 1.00 0.00 C ATOM 901 O GLU A 57 2.792 3.187 -7.187 1.00 0.00 O ATOM 902 CB GLU A 57 0.328 1.720 -7.725 1.00 0.00 C ATOM 903 CG GLU A 57 -1.177 1.909 -7.786 1.00 0.00 C ATOM 904 CD GLU A 57 -1.863 0.862 -8.636 1.00 0.00 C ATOM 905 OE1 GLU A 57 -1.505 -0.329 -8.518 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.758 1.235 -9.419 1.00 0.00 O ATOM 0 H GLU A 57 1.247 0.946 -10.086 1.00 0.00 H new ATOM 0 HA GLU A 57 0.629 3.547 -8.828 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.562 0.667 -7.882 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.680 1.979 -6.726 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.585 1.875 -6.776 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.399 2.898 -8.186 1.00 0.00 H new ATOM 913 N VAL A 58 3.475 2.433 -9.192 1.00 0.00 N ATOM 914 CA VAL A 58 4.890 2.590 -8.889 1.00 0.00 C ATOM 915 C VAL A 58 5.599 3.248 -10.057 1.00 0.00 C ATOM 916 O VAL A 58 6.398 4.167 -9.880 1.00 0.00 O ATOM 917 CB VAL A 58 5.566 1.237 -8.588 1.00 0.00 C ATOM 918 CG1 VAL A 58 6.996 1.445 -8.115 1.00 0.00 C ATOM 919 CG2 VAL A 58 4.776 0.456 -7.553 1.00 0.00 C ATOM 0 H VAL A 58 3.281 2.068 -10.125 1.00 0.00 H new ATOM 0 HA VAL A 58 4.965 3.216 -8.000 1.00 0.00 H new ATOM 0 HB VAL A 58 5.587 0.658 -9.511 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.455 0.478 -7.908 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.565 1.958 -8.890 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.995 2.048 -7.207 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.273 -0.494 -7.357 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.718 1.032 -6.629 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.770 0.269 -7.928 1.00 0.00 H new ATOM 929 N GLY A 59 5.280 2.776 -11.259 1.00 0.00 N ATOM 930 CA GLY A 59 5.866 3.322 -12.467 1.00 0.00 C ATOM 931 C GLY A 59 7.348 3.045 -12.606 1.00 0.00 C ATOM 932 O GLY A 59 7.836 2.754 -13.698 1.00 0.00 O ATOM 0 H GLY A 59 4.618 2.016 -11.416 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.346 2.908 -13.331 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.704 4.400 -12.483 1.00 0.00 H new ATOM 936 N ILE A 60 8.057 3.144 -11.504 1.00 0.00 N ATOM 937 CA ILE A 60 9.490 2.914 -11.486 1.00 0.00 C ATOM 938 C ILE A 60 9.805 1.427 -11.514 1.00 0.00 C ATOM 939 O ILE A 60 8.907 0.589 -11.595 1.00 0.00 O ATOM 940 CB ILE A 60 10.177 3.534 -10.245 1.00 0.00 C ATOM 941 CG1 ILE A 60 9.209 3.737 -9.079 1.00 0.00 C ATOM 942 CG2 ILE A 60 10.853 4.846 -10.608 1.00 0.00 C ATOM 943 CD1 ILE A 60 9.874 3.591 -7.727 1.00 0.00 C ATOM 0 H ILE A 60 7.661 3.385 -10.596 1.00 0.00 H new ATOM 0 HA ILE A 60 9.880 3.400 -12.380 1.00 0.00 H new ATOM 0 HB ILE A 60 10.933 2.822 -9.913 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.762 4.729 -9.153 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.397 3.015 -9.158 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.330 5.267 -9.723 1.00 0.00 H new ATOM 0 HG22 ILE A 60 11.606 4.667 -11.376 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.108 5.547 -10.986 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.136 3.746 -6.940 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.297 2.591 -7.636 1.00 0.00 H new ATOM 0 HD13 ILE A 60 10.668 4.331 -7.630 1.00 0.00 H new ATOM 955 N THR A 61 11.092 1.112 -11.447 1.00 0.00 N ATOM 956 CA THR A 61 11.549 -0.256 -11.460 1.00 0.00 C ATOM 957 C THR A 61 12.189 -0.603 -10.121 1.00 0.00 C ATOM 958 O THR A 61 13.391 -0.412 -9.933 1.00 0.00 O ATOM 959 CB THR A 61 12.570 -0.408 -12.572 1.00 0.00 C ATOM 960 OG1 THR A 61 13.257 0.814 -12.785 1.00 0.00 O ATOM 961 CG2 THR A 61 11.961 -0.824 -13.891 1.00 0.00 C ATOM 0 H THR A 61 11.841 1.802 -11.382 1.00 0.00 H new ATOM 0 HA THR A 61 10.708 -0.929 -11.628 1.00 0.00 H new ATOM 0 HB THR A 61 13.247 -1.195 -12.240 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.913 0.699 -13.504 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.746 -0.914 -14.642 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.459 -1.784 -13.773 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.238 -0.074 -14.211 1.00 0.00 H new ATOM 969 N PRO A 62 11.389 -1.070 -9.153 1.00 0.00 N ATOM 970 CA PRO A 62 11.852 -1.388 -7.821 1.00 0.00 C ATOM 971 C PRO A 62 11.837 -2.873 -7.504 1.00 0.00 C ATOM 972 O PRO A 62 10.943 -3.596 -7.944 1.00 0.00 O ATOM 973 CB PRO A 62 10.755 -0.705 -7.021 1.00 0.00 C ATOM 974 CG PRO A 62 9.507 -1.030 -7.786 1.00 0.00 C ATOM 975 CD PRO A 62 9.935 -1.267 -9.221 1.00 0.00 C ATOM 0 HA PRO A 62 12.883 -1.086 -7.638 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.709 -1.083 -6.000 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.917 0.371 -6.956 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.019 -1.914 -7.375 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.790 -0.212 -7.725 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.676 -2.270 -9.562 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.462 -0.565 -9.907 1.00 0.00 H new ATOM 983 N GLN A 63 12.777 -3.318 -6.674 1.00 0.00 N ATOM 984 CA GLN A 63 12.773 -4.704 -6.253 1.00 0.00 C ATOM 985 C GLN A 63 11.645 -4.825 -5.247 1.00 0.00 C ATOM 986 O GLN A 63 11.853 -4.765 -4.036 1.00 0.00 O ATOM 987 CB GLN A 63 14.110 -5.098 -5.626 1.00 0.00 C ATOM 988 CG GLN A 63 15.256 -5.156 -6.621 1.00 0.00 C ATOM 989 CD GLN A 63 16.600 -5.376 -5.952 1.00 0.00 C ATOM 990 OE1 GLN A 63 17.576 -4.691 -6.256 1.00 0.00 O ATOM 991 NE2 GLN A 63 16.654 -6.335 -5.036 1.00 0.00 N ATOM 0 H GLN A 63 13.532 -2.749 -6.291 1.00 0.00 H new ATOM 0 HA GLN A 63 12.628 -5.374 -7.100 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.358 -4.384 -4.841 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.005 -6.072 -5.149 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.073 -5.960 -7.333 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.285 -4.227 -7.190 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.819 -6.878 -4.816 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.531 -6.529 -4.552 1.00 0.00 H new ATOM 1000 N HIS A 64 10.441 -4.924 -5.783 1.00 0.00 N ATOM 1001 CA HIS A 64 9.231 -4.974 -4.983 1.00 0.00 C ATOM 1002 C HIS A 64 8.437 -6.235 -5.280 1.00 0.00 C ATOM 1003 O HIS A 64 8.143 -6.534 -6.438 1.00 0.00 O ATOM 1004 CB HIS A 64 8.413 -3.718 -5.308 1.00 0.00 C ATOM 1005 CG HIS A 64 6.960 -3.783 -4.934 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.452 -4.662 -4.002 1.00 0.00 N ATOM 1007 CD2 HIS A 64 5.905 -3.057 -5.376 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.150 -4.477 -3.889 1.00 0.00 C ATOM 1009 NE2 HIS A 64 4.792 -3.508 -4.711 1.00 0.00 N ATOM 0 H HIS A 64 10.275 -4.972 -6.788 1.00 0.00 H new ATOM 0 HA HIS A 64 9.477 -5.000 -3.921 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.865 -2.868 -4.797 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.487 -3.523 -6.378 1.00 0.00 H new ATOM 0 HD1 HIS A 64 6.997 -5.349 -3.481 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.934 -2.270 -6.115 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.489 -5.026 -3.234 1.00 0.00 H new ATOM 1018 N PHE A 65 8.107 -6.981 -4.232 1.00 0.00 N ATOM 1019 CA PHE A 65 7.365 -8.219 -4.399 1.00 0.00 C ATOM 1020 C PHE A 65 7.093 -8.898 -3.060 1.00 0.00 C ATOM 1021 O PHE A 65 7.681 -8.544 -2.044 1.00 0.00 O ATOM 1022 CB PHE A 65 8.177 -9.155 -5.275 1.00 0.00 C ATOM 1023 CG PHE A 65 7.357 -10.201 -5.975 1.00 0.00 C ATOM 1024 CD1 PHE A 65 6.318 -9.834 -6.814 1.00 0.00 C ATOM 1025 CD2 PHE A 65 7.627 -11.549 -5.798 1.00 0.00 C ATOM 1026 CE1 PHE A 65 5.561 -10.791 -7.464 1.00 0.00 C ATOM 1027 CE2 PHE A 65 6.874 -12.511 -6.444 1.00 0.00 C ATOM 1028 CZ PHE A 65 5.841 -12.131 -7.278 1.00 0.00 C ATOM 0 H PHE A 65 8.340 -6.750 -3.266 1.00 0.00 H new ATOM 0 HA PHE A 65 6.404 -7.987 -4.859 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.710 -8.566 -6.021 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.930 -9.649 -4.661 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.096 -8.787 -6.962 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.435 -11.851 -5.148 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.753 -10.492 -8.115 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.093 -13.558 -6.297 1.00 0.00 H new ATOM 0 HZ PHE A 65 5.252 -12.881 -7.785 1.00 0.00 H new ATOM 1038 N SER A 66 6.209 -9.894 -3.080 1.00 0.00 N ATOM 1039 CA SER A 66 5.857 -10.653 -1.878 1.00 0.00 C ATOM 1040 C SER A 66 4.860 -9.892 -1.012 1.00 0.00 C ATOM 1041 O SER A 66 4.482 -8.766 -1.328 1.00 0.00 O ATOM 1042 CB SER A 66 7.109 -10.989 -1.060 1.00 0.00 C ATOM 1043 OG SER A 66 6.925 -12.176 -0.308 1.00 0.00 O ATOM 0 H SER A 66 5.719 -10.197 -3.922 1.00 0.00 H new ATOM 0 HA SER A 66 5.388 -11.581 -2.205 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.962 -11.107 -1.728 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.341 -10.162 -0.389 1.00 0.00 H new ATOM 0 HG SER A 66 7.739 -12.369 0.203 1.00 0.00 H new ATOM 1049 N LEU A 67 4.434 -10.522 0.081 1.00 0.00 N ATOM 1050 CA LEU A 67 3.475 -9.907 0.990 1.00 0.00 C ATOM 1051 C LEU A 67 3.883 -10.100 2.444 1.00 0.00 C ATOM 1052 O LEU A 67 4.187 -11.214 2.873 1.00 0.00 O ATOM 1053 CB LEU A 67 2.078 -10.487 0.760 1.00 0.00 C ATOM 1054 CG LEU A 67 1.998 -12.016 0.787 1.00 0.00 C ATOM 1055 CD1 LEU A 67 0.752 -12.474 1.530 1.00 0.00 C ATOM 1056 CD2 LEU A 67 2.012 -12.573 -0.629 1.00 0.00 C ATOM 0 H LEU A 67 4.738 -11.456 0.356 1.00 0.00 H new ATOM 0 HA LEU A 67 3.460 -8.837 0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.407 -10.090 1.521 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.710 -10.136 -0.204 1.00 0.00 H new ATOM 0 HG LEU A 67 2.871 -12.398 1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.713 -13.563 1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.783 -12.104 2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.134 -12.083 1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.955 -13.661 -0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.158 -12.183 -1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.934 -12.275 -1.128 1.00 0.00 H new ATOM 1068 N PHE A 68 3.874 -9.007 3.203 1.00 0.00 N ATOM 1069 CA PHE A 68 4.230 -9.060 4.613 1.00 0.00 C ATOM 1070 C PHE A 68 3.066 -9.641 5.417 1.00 0.00 C ATOM 1071 O PHE A 68 3.257 -10.463 6.313 1.00 0.00 O ATOM 1072 CB PHE A 68 4.624 -7.663 5.118 1.00 0.00 C ATOM 1073 CG PHE A 68 3.561 -6.947 5.910 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.629 -6.142 5.277 1.00 0.00 C ATOM 1075 CD2 PHE A 68 3.506 -7.071 7.290 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.661 -5.476 6.005 1.00 0.00 C ATOM 1077 CE2 PHE A 68 2.542 -6.405 8.022 1.00 0.00 C ATOM 1078 CZ PHE A 68 1.618 -5.606 7.378 1.00 0.00 C ATOM 0 H PHE A 68 3.624 -8.078 2.864 1.00 0.00 H new ATOM 0 HA PHE A 68 5.094 -9.712 4.745 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.516 -7.756 5.737 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.894 -7.046 4.261 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.659 -6.033 4.203 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.225 -7.696 7.799 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.938 -4.854 5.499 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.511 -6.509 9.097 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.863 -5.084 7.948 1.00 0.00 H new ATOM 1088 N GLU A 69 1.858 -9.211 5.063 1.00 0.00 N ATOM 1089 CA GLU A 69 0.638 -9.681 5.711 1.00 0.00 C ATOM 1090 C GLU A 69 -0.581 -9.172 4.948 1.00 0.00 C ATOM 1091 O GLU A 69 -0.666 -7.993 4.626 1.00 0.00 O ATOM 1092 CB GLU A 69 0.583 -9.212 7.168 1.00 0.00 C ATOM 1093 CG GLU A 69 0.882 -10.312 8.172 1.00 0.00 C ATOM 1094 CD GLU A 69 1.416 -9.774 9.485 1.00 0.00 C ATOM 1095 OE1 GLU A 69 1.970 -8.654 9.487 1.00 0.00 O ATOM 1096 OE2 GLU A 69 1.280 -10.472 10.512 1.00 0.00 O ATOM 0 H GLU A 69 1.698 -8.529 4.321 1.00 0.00 H new ATOM 0 HA GLU A 69 0.637 -10.771 5.703 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.297 -8.401 7.307 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.407 -8.804 7.373 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.027 -10.883 8.361 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.609 -11.002 7.744 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.519 -10.060 4.650 1.00 0.00 N ATOM 1104 CA LYS A 70 -2.715 -9.673 3.908 1.00 0.00 C ATOM 1105 C LYS A 70 -3.972 -9.804 4.763 1.00 0.00 C ATOM 1106 O LYS A 70 -4.189 -10.826 5.413 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.855 -10.530 2.648 1.00 0.00 C ATOM 1108 CG LYS A 70 -3.071 -12.006 2.938 1.00 0.00 C ATOM 1109 CD LYS A 70 -4.537 -12.391 2.811 1.00 0.00 C ATOM 1110 CE LYS A 70 -4.701 -13.743 2.136 1.00 0.00 C ATOM 1111 NZ LYS A 70 -5.855 -14.505 2.691 1.00 0.00 N ATOM 0 H LYS A 70 -1.478 -11.046 4.907 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.605 -8.626 3.626 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.692 -10.158 2.057 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.958 -10.415 2.039 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.476 -12.604 2.248 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.719 -12.235 3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.994 -12.419 3.800 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.066 -11.630 2.237 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.842 -13.599 1.065 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.788 -14.325 2.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.933 -15.421 2.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.709 -14.665 3.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.730 -13.962 2.548 1.00 0.00 H new ATOM 1125 N LEU A 71 -4.800 -8.764 4.751 1.00 0.00 N ATOM 1126 CA LEU A 71 -6.040 -8.760 5.517 1.00 0.00 C ATOM 1127 C LEU A 71 -7.246 -8.788 4.581 1.00 0.00 C ATOM 1128 O LEU A 71 -7.309 -8.033 3.611 1.00 0.00 O ATOM 1129 CB LEU A 71 -6.102 -7.524 6.419 1.00 0.00 C ATOM 1130 CG LEU A 71 -7.437 -7.301 7.130 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -7.562 -8.224 8.332 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -7.580 -5.847 7.553 1.00 0.00 C ATOM 0 H LEU A 71 -4.633 -7.911 4.217 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.063 -9.653 6.141 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.317 -7.604 7.171 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.878 -6.643 5.817 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.242 -7.535 6.433 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.518 -8.051 8.826 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.506 -9.261 8.002 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.751 -8.022 9.032 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.536 -5.707 8.057 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.769 -5.584 8.233 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.537 -5.206 6.672 1.00 0.00 H new ATOM 1144 N GLU A 72 -8.202 -9.666 4.876 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.400 -9.794 4.058 1.00 0.00 C ATOM 1146 C GLU A 72 -10.659 -9.600 4.904 1.00 0.00 C ATOM 1147 O GLU A 72 -10.989 -10.437 5.745 1.00 0.00 O ATOM 1148 CB GLU A 72 -9.419 -11.167 3.376 1.00 0.00 C ATOM 1149 CG GLU A 72 -10.796 -11.602 2.900 1.00 0.00 C ATOM 1150 CD GLU A 72 -10.732 -12.634 1.791 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -9.777 -12.583 0.987 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -11.636 -13.493 1.727 1.00 0.00 O ATOM 0 H GLU A 72 -8.168 -10.298 5.676 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.385 -9.017 3.293 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.741 -11.147 2.523 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.034 -11.912 4.072 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.354 -12.013 3.741 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.347 -10.730 2.548 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.357 -8.493 4.672 1.00 0.00 N ATOM 1160 CA TYR A 73 -12.581 -8.190 5.405 1.00 0.00 C ATOM 1161 C TYR A 73 -13.623 -7.568 4.483 1.00 0.00 C ATOM 1162 O TYR A 73 -13.281 -6.940 3.482 1.00 0.00 O ATOM 1163 CB TYR A 73 -12.286 -7.245 6.571 1.00 0.00 C ATOM 1164 CG TYR A 73 -11.678 -5.925 6.149 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -10.437 -5.876 5.528 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -12.348 -4.729 6.376 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -9.879 -4.671 5.144 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -11.797 -3.521 5.995 1.00 0.00 C ATOM 1169 CZ TYR A 73 -10.562 -3.496 5.379 1.00 0.00 C ATOM 1170 OH TYR A 73 -10.009 -2.294 4.999 1.00 0.00 O ATOM 0 H TYR A 73 -11.095 -7.790 3.981 1.00 0.00 H new ATOM 0 HA TYR A 73 -12.979 -9.125 5.799 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -13.212 -7.051 7.113 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.608 -7.741 7.266 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.899 -6.794 5.342 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -13.314 -4.744 6.858 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.913 -4.650 4.662 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -12.330 -2.600 6.178 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.619 -1.564 5.236 1.00 0.00 H new ATOM 1180 N GLU A 74 -14.896 -7.745 4.822 1.00 0.00 N ATOM 1181 CA GLU A 74 -15.979 -7.195 4.014 1.00 0.00 C ATOM 1182 C GLU A 74 -16.777 -6.156 4.792 1.00 0.00 C ATOM 1183 O GLU A 74 -17.078 -6.336 5.972 1.00 0.00 O ATOM 1184 CB GLU A 74 -16.912 -8.304 3.522 1.00 0.00 C ATOM 1185 CG GLU A 74 -17.196 -9.371 4.566 1.00 0.00 C ATOM 1186 CD GLU A 74 -17.811 -10.623 3.971 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -17.803 -10.757 2.729 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -18.301 -11.470 4.747 1.00 0.00 O ATOM 0 H GLU A 74 -15.202 -8.262 5.646 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.525 -6.708 3.151 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.855 -7.859 3.204 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.470 -8.776 2.644 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.268 -9.633 5.074 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.868 -8.965 5.321 1.00 0.00 H new ATOM 1195 N PHE A 75 -17.118 -5.073 4.109 1.00 0.00 N ATOM 1196 CA PHE A 75 -17.883 -3.990 4.695 1.00 0.00 C ATOM 1197 C PHE A 75 -19.376 -4.192 4.434 1.00 0.00 C ATOM 1198 O PHE A 75 -19.754 -4.977 3.565 1.00 0.00 O ATOM 1199 CB PHE A 75 -17.416 -2.660 4.109 1.00 0.00 C ATOM 1200 CG PHE A 75 -16.388 -1.951 4.948 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -16.512 -1.891 6.327 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -15.294 -1.343 4.352 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -15.566 -1.238 7.095 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -14.346 -0.689 5.115 1.00 0.00 C ATOM 1205 CZ PHE A 75 -14.482 -0.636 6.488 1.00 0.00 C ATOM 0 H PHE A 75 -16.870 -4.923 3.131 1.00 0.00 H new ATOM 0 HA PHE A 75 -17.722 -3.981 5.773 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -17.001 -2.837 3.117 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -18.280 -2.007 3.982 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -17.358 -2.360 6.807 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -15.181 -1.381 3.279 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -15.675 -1.199 8.169 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -13.499 -0.219 4.638 1.00 0.00 H new ATOM 0 HZ PHE A 75 -13.742 -0.125 7.086 1.00 0.00 H new ATOM 1215 N PRO A 76 -20.243 -3.489 5.183 1.00 0.00 N ATOM 1216 CA PRO A 76 -21.696 -3.594 5.029 1.00 0.00 C ATOM 1217 C PRO A 76 -22.138 -3.383 3.586 1.00 0.00 C ATOM 1218 O PRO A 76 -22.545 -2.286 3.202 1.00 0.00 O ATOM 1219 CB PRO A 76 -22.252 -2.484 5.933 1.00 0.00 C ATOM 1220 CG PRO A 76 -21.079 -1.636 6.296 1.00 0.00 C ATOM 1221 CD PRO A 76 -19.878 -2.532 6.228 1.00 0.00 C ATOM 0 HA PRO A 76 -22.057 -4.586 5.298 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -23.012 -1.900 5.414 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -22.723 -2.902 6.822 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -20.978 -0.797 5.608 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -21.196 -1.217 7.295 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -18.975 -1.978 5.971 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -19.689 -3.027 7.181 1.00 0.00 H new ATOM 1229 N ASP A 77 -22.045 -4.451 2.797 1.00 0.00 N ATOM 1230 CA ASP A 77 -22.423 -4.433 1.380 1.00 0.00 C ATOM 1231 C ASP A 77 -21.246 -4.022 0.495 1.00 0.00 C ATOM 1232 O ASP A 77 -21.424 -3.720 -0.685 1.00 0.00 O ATOM 1233 CB ASP A 77 -23.612 -3.496 1.135 1.00 0.00 C ATOM 1234 CG ASP A 77 -24.524 -3.998 0.033 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -24.006 -4.522 -0.975 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -25.759 -3.868 0.179 1.00 0.00 O ATOM 0 H ASP A 77 -21.705 -5.357 3.120 1.00 0.00 H new ATOM 0 HA ASP A 77 -22.718 -5.448 1.114 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -24.184 -3.390 2.057 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -23.242 -2.504 0.874 1.00 0.00 H new ATOM 1241 N ARG A 78 -20.045 -4.018 1.067 1.00 0.00 N ATOM 1242 CA ARG A 78 -18.846 -3.652 0.323 1.00 0.00 C ATOM 1243 C ARG A 78 -17.695 -4.599 0.652 1.00 0.00 C ATOM 1244 O ARG A 78 -16.993 -4.413 1.644 1.00 0.00 O ATOM 1245 CB ARG A 78 -18.444 -2.210 0.643 1.00 0.00 C ATOM 1246 CG ARG A 78 -17.312 -1.686 -0.226 1.00 0.00 C ATOM 1247 CD ARG A 78 -17.106 -0.191 -0.031 1.00 0.00 C ATOM 1248 NE ARG A 78 -15.905 0.098 0.749 1.00 0.00 N ATOM 1249 CZ ARG A 78 -15.295 1.281 0.759 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -15.769 2.287 0.033 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -14.206 1.460 1.494 1.00 0.00 N ATOM 0 H ARG A 78 -19.877 -4.264 2.043 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.067 -3.732 -0.741 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.313 -1.564 0.521 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -18.146 -2.149 1.690 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -16.391 -2.216 0.016 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -17.532 -1.891 -1.274 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -17.032 0.295 -1.004 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -17.976 0.232 0.472 1.00 0.00 H new ATOM 0 HE ARG A 78 -15.511 -0.650 1.319 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -16.605 2.155 -0.536 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.297 3.191 0.045 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.835 0.691 2.052 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.739 2.367 1.501 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.502 -5.614 -0.184 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.432 -6.580 0.033 1.00 0.00 C ATOM 1267 C HIS A 79 -15.101 -6.023 -0.454 1.00 0.00 C ATOM 1268 O HIS A 79 -14.937 -5.737 -1.639 1.00 0.00 O ATOM 1269 CB HIS A 79 -16.744 -7.891 -0.692 1.00 0.00 C ATOM 1270 CG HIS A 79 -16.077 -9.085 -0.082 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -16.759 -10.234 0.263 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -14.781 -9.307 0.243 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -15.911 -11.109 0.775 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -14.706 -10.571 0.773 1.00 0.00 N ATOM 0 H HIS A 79 -18.069 -5.788 -1.014 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.360 -6.775 1.103 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -17.823 -8.048 -0.693 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -16.434 -7.804 -1.733 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -13.960 -8.618 0.110 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -16.162 -12.096 1.134 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -13.856 -11.022 1.111 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.153 -5.862 0.465 1.00 0.00 N ATOM 1284 CA ILE A 80 -12.846 -5.328 0.105 1.00 0.00 C ATOM 1285 C ILE A 80 -11.714 -6.253 0.538 1.00 0.00 C ATOM 1286 O ILE A 80 -11.631 -6.659 1.697 1.00 0.00 O ATOM 1287 CB ILE A 80 -12.620 -3.921 0.704 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -12.298 -4.009 2.199 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -13.842 -3.043 0.469 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -12.130 -2.660 2.866 1.00 0.00 C ATOM 0 H ILE A 80 -14.264 -6.091 1.453 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.836 -5.253 -0.982 1.00 0.00 H new ATOM 0 HB ILE A 80 -11.765 -3.468 0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -13.095 -4.556 2.702 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.383 -4.586 2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -13.668 -2.055 0.896 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -14.022 -2.949 -0.602 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -14.712 -3.496 0.944 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.904 -2.802 3.923 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.313 -2.118 2.390 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -13.052 -2.087 2.766 1.00 0.00 H new ATOM 1302 N THR A 81 -10.841 -6.569 -0.407 1.00 0.00 N ATOM 1303 CA THR A 81 -9.702 -7.429 -0.148 1.00 0.00 C ATOM 1304 C THR A 81 -8.457 -6.581 0.087 1.00 0.00 C ATOM 1305 O THR A 81 -8.041 -5.826 -0.792 1.00 0.00 O ATOM 1306 CB THR A 81 -9.488 -8.360 -1.339 1.00 0.00 C ATOM 1307 OG1 THR A 81 -10.127 -7.846 -2.494 1.00 0.00 O ATOM 1308 CG2 THR A 81 -10.019 -9.757 -1.115 1.00 0.00 C ATOM 0 H THR A 81 -10.904 -6.237 -1.369 1.00 0.00 H new ATOM 0 HA THR A 81 -9.892 -8.027 0.743 1.00 0.00 H new ATOM 0 HB THR A 81 -8.407 -8.415 -1.468 1.00 0.00 H new ATOM 0 HG1 THR A 81 -10.131 -8.529 -3.197 1.00 0.00 H new ATOM 0 HG21 THR A 81 -9.833 -10.363 -2.001 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.516 -10.204 -0.257 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.091 -9.712 -0.925 1.00 0.00 H new ATOM 1316 N LEU A 82 -7.872 -6.691 1.274 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.685 -5.911 1.599 1.00 0.00 C ATOM 1318 C LEU A 82 -5.417 -6.754 1.490 1.00 0.00 C ATOM 1319 O LEU A 82 -5.209 -7.686 2.266 1.00 0.00 O ATOM 1320 CB LEU A 82 -6.811 -5.337 3.011 1.00 0.00 C ATOM 1321 CG LEU A 82 -6.828 -3.808 3.096 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -6.784 -3.355 4.548 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -5.665 -3.216 2.309 1.00 0.00 C ATOM 0 H LEU A 82 -8.196 -7.306 2.020 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.609 -5.096 0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.727 -5.720 3.461 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.981 -5.709 3.612 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.757 -3.447 2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.797 -2.266 4.590 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.651 -3.749 5.078 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.873 -3.725 5.017 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.693 -2.129 2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.724 -3.582 2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.745 -3.513 1.263 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.572 -6.408 0.523 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.320 -7.121 0.308 1.00 0.00 C ATOM 1337 C TRP A 83 -2.130 -6.205 0.550 1.00 0.00 C ATOM 1338 O TRP A 83 -1.990 -5.166 -0.095 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.245 -7.675 -1.119 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.312 -8.676 -1.428 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.588 -8.674 -0.958 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.197 -9.824 -2.277 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.279 -9.744 -1.458 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.449 -10.469 -2.272 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -3.162 -10.368 -3.042 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -5.691 -11.630 -3.000 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.404 -11.522 -3.764 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -4.660 -12.141 -3.740 1.00 0.00 C ATOM 0 H TRP A 83 -4.733 -5.637 -0.124 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.288 -7.949 1.016 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.318 -6.848 -1.825 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.270 -8.138 -1.270 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.997 -7.934 -0.286 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.254 -9.966 -1.257 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -2.191 -9.896 -3.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -6.658 -12.110 -2.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -2.611 -11.953 -4.357 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.818 -13.040 -4.317 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.265 -6.608 1.468 1.00 0.00 N ATOM 1360 CA PHE A 84 -0.070 -5.828 1.777 1.00 0.00 C ATOM 1361 C PHE A 84 1.175 -6.571 1.297 1.00 0.00 C ATOM 1362 O PHE A 84 1.525 -7.622 1.834 1.00 0.00 O ATOM 1363 CB PHE A 84 0.039 -5.533 3.277 1.00 0.00 C ATOM 1364 CG PHE A 84 -1.081 -4.686 3.823 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -2.405 -5.059 3.643 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.810 -3.515 4.520 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -3.432 -4.284 4.146 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -1.836 -2.739 5.024 1.00 0.00 C ATOM 1369 CZ PHE A 84 -3.147 -3.124 4.837 1.00 0.00 C ATOM 0 H PHE A 84 -1.364 -7.466 2.011 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.148 -4.874 1.255 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.064 -6.477 3.821 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.987 -5.030 3.469 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.635 -5.966 3.103 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.215 -3.208 4.670 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.458 -4.586 3.998 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.611 -1.831 5.564 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.950 -2.518 5.231 1.00 0.00 H new ATOM 1379 N TRP A 85 1.831 -6.029 0.274 1.00 0.00 N ATOM 1380 CA TRP A 85 3.023 -6.658 -0.283 1.00 0.00 C ATOM 1381 C TRP A 85 4.294 -6.089 0.339 1.00 0.00 C ATOM 1382 O TRP A 85 4.421 -4.880 0.526 1.00 0.00 O ATOM 1383 CB TRP A 85 3.048 -6.481 -1.802 1.00 0.00 C ATOM 1384 CG TRP A 85 2.036 -7.337 -2.496 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.682 -7.294 -2.332 1.00 0.00 C ATOM 1386 CD2 TRP A 85 2.292 -8.372 -3.453 1.00 0.00 C ATOM 1387 NE1 TRP A 85 0.081 -8.237 -3.127 1.00 0.00 N ATOM 1388 CE2 TRP A 85 1.048 -8.912 -3.826 1.00 0.00 C ATOM 1389 CE3 TRP A 85 3.452 -8.892 -4.031 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 0.932 -9.948 -4.750 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 3.337 -9.920 -4.948 1.00 0.00 C ATOM 1392 CH2 TRP A 85 2.084 -10.438 -5.300 1.00 0.00 C ATOM 0 H TRP A 85 1.558 -5.159 -0.184 1.00 0.00 H new ATOM 0 HA TRP A 85 2.986 -7.722 -0.048 1.00 0.00 H new ATOM 0 HB2 TRP A 85 2.862 -5.435 -2.046 1.00 0.00 H new ATOM 0 HB3 TRP A 85 4.042 -6.724 -2.176 1.00 0.00 H new ATOM 0 HD1 TRP A 85 0.160 -6.617 -1.673 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -0.923 -8.408 -3.188 1.00 0.00 H new ATOM 0 HE3 TRP A 85 4.422 -8.498 -3.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.033 -10.350 -5.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 4.228 -10.330 -5.400 1.00 0.00 H new ATOM 0 HH2 TRP A 85 2.027 -11.241 -6.020 1.00 0.00 H new ATOM 1403 N LEU A 86 5.232 -6.978 0.670 1.00 0.00 N ATOM 1404 CA LEU A 86 6.489 -6.569 1.282 1.00 0.00 C ATOM 1405 C LEU A 86 7.539 -6.239 0.222 1.00 0.00 C ATOM 1406 O LEU A 86 8.143 -7.128 -0.369 1.00 0.00 O ATOM 1407 CB LEU A 86 7.005 -7.673 2.206 1.00 0.00 C ATOM 1408 CG LEU A 86 8.400 -7.437 2.790 1.00 0.00 C ATOM 1409 CD1 LEU A 86 8.418 -6.173 3.634 1.00 0.00 C ATOM 1410 CD2 LEU A 86 8.841 -8.637 3.615 1.00 0.00 C ATOM 0 H LEU A 86 5.142 -7.983 0.523 1.00 0.00 H new ATOM 0 HA LEU A 86 6.304 -5.667 1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.300 -7.795 3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.015 -8.612 1.653 1.00 0.00 H new ATOM 0 HG LEU A 86 9.102 -7.309 1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.418 -6.021 4.041 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.145 -5.318 3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.704 -6.272 4.452 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.835 -8.453 4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.137 -8.795 4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.867 -9.524 2.982 1.00 0.00 H new ATOM 1422 N VAL A 87 7.754 -4.951 0.007 1.00 0.00 N ATOM 1423 CA VAL A 87 8.730 -4.465 -0.967 1.00 0.00 C ATOM 1424 C VAL A 87 10.115 -4.444 -0.382 1.00 0.00 C ATOM 1425 O VAL A 87 10.282 -4.194 0.811 1.00 0.00 O ATOM 1426 CB VAL A 87 8.404 -3.050 -1.417 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.339 -2.599 -2.529 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.948 -2.967 -1.841 1.00 0.00 C ATOM 0 H VAL A 87 7.258 -4.209 0.501 1.00 0.00 H new ATOM 0 HA VAL A 87 8.686 -5.149 -1.815 1.00 0.00 H new ATOM 0 HB VAL A 87 8.556 -2.370 -0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.082 -1.584 -2.831 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.368 -2.622 -2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.237 -3.268 -3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.720 -1.951 -2.162 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.769 -3.657 -2.666 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.308 -3.233 -1.000 1.00 0.00 H new ATOM 1438 N GLU A 88 11.113 -4.720 -1.205 1.00 0.00 N ATOM 1439 CA GLU A 88 12.471 -4.728 -0.699 1.00 0.00 C ATOM 1440 C GLU A 88 13.332 -3.565 -1.215 1.00 0.00 C ATOM 1441 O GLU A 88 14.295 -3.181 -0.551 1.00 0.00 O ATOM 1442 CB GLU A 88 13.147 -6.065 -1.015 1.00 0.00 C ATOM 1443 CG GLU A 88 14.604 -6.131 -0.587 1.00 0.00 C ATOM 1444 CD GLU A 88 15.232 -7.483 -0.862 1.00 0.00 C ATOM 1445 OE1 GLU A 88 14.836 -8.131 -1.854 1.00 0.00 O ATOM 1446 OE2 GLU A 88 16.118 -7.895 -0.085 1.00 0.00 O ATOM 0 H GLU A 88 11.013 -4.935 -2.197 1.00 0.00 H new ATOM 0 HA GLU A 88 12.392 -4.594 0.380 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.596 -6.866 -0.521 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.084 -6.249 -2.088 1.00 0.00 H new ATOM 0 HG2 GLU A 88 15.168 -5.359 -1.111 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.676 -5.911 0.478 1.00 0.00 H new ATOM 1453 N ARG A 89 13.018 -3.005 -2.384 1.00 0.00 N ATOM 1454 CA ARG A 89 13.823 -1.904 -2.912 1.00 0.00 C ATOM 1455 C ARG A 89 13.079 -1.145 -4.005 1.00 0.00 C ATOM 1456 O ARG A 89 12.112 -1.650 -4.570 1.00 0.00 O ATOM 1457 CB ARG A 89 15.181 -2.450 -3.408 1.00 0.00 C ATOM 1458 CG ARG A 89 15.549 -2.119 -4.856 1.00 0.00 C ATOM 1459 CD ARG A 89 16.805 -1.262 -4.933 1.00 0.00 C ATOM 1460 NE ARG A 89 16.748 -0.114 -4.031 1.00 0.00 N ATOM 1461 CZ ARG A 89 17.494 0.979 -4.172 1.00 0.00 C ATOM 1462 NH1 ARG A 89 18.358 1.078 -5.174 1.00 0.00 N ATOM 1463 NH2 ARG A 89 17.377 1.977 -3.307 1.00 0.00 N ATOM 0 H ARG A 89 12.232 -3.287 -2.970 1.00 0.00 H new ATOM 0 HA ARG A 89 14.011 -1.186 -2.113 1.00 0.00 H new ATOM 0 HB2 ARG A 89 15.965 -2.063 -2.757 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.178 -3.534 -3.294 1.00 0.00 H new ATOM 0 HG2 ARG A 89 15.704 -3.043 -5.413 1.00 0.00 H new ATOM 0 HG3 ARG A 89 14.720 -1.595 -5.332 1.00 0.00 H new ATOM 0 HD2 ARG A 89 17.674 -1.872 -4.687 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.941 -0.911 -5.956 1.00 0.00 H new ATOM 0 HE ARG A 89 16.098 -0.153 -3.246 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.454 0.313 -5.842 1.00 0.00 H new ATOM 0 HH12 ARG A 89 18.927 1.919 -5.276 1.00 0.00 H new ATOM 0 HH21 ARG A 89 16.715 1.907 -2.534 1.00 0.00 H new ATOM 0 HH22 ARG A 89 17.949 2.815 -3.415 1.00 0.00 H new ATOM 1477 N TRP A 90 13.553 0.061 -4.315 1.00 0.00 N ATOM 1478 CA TRP A 90 12.940 0.871 -5.360 1.00 0.00 C ATOM 1479 C TRP A 90 13.924 1.899 -5.915 1.00 0.00 C ATOM 1480 O TRP A 90 14.447 2.736 -5.180 1.00 0.00 O ATOM 1481 CB TRP A 90 11.652 1.534 -4.844 1.00 0.00 C ATOM 1482 CG TRP A 90 11.824 2.906 -4.268 1.00 0.00 C ATOM 1483 CD1 TRP A 90 12.104 4.055 -4.950 1.00 0.00 C ATOM 1484 CD2 TRP A 90 11.695 3.276 -2.893 1.00 0.00 C ATOM 1485 NE1 TRP A 90 12.164 5.117 -4.081 1.00 0.00 N ATOM 1486 CE2 TRP A 90 11.915 4.664 -2.812 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.417 2.568 -1.720 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 11.864 5.356 -1.607 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.365 3.258 -0.523 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.587 4.640 -0.475 1.00 0.00 C ATOM 0 H TRP A 90 14.356 0.495 -3.859 1.00 0.00 H new ATOM 0 HA TRP A 90 12.668 0.214 -6.186 1.00 0.00 H new ATOM 0 HB2 TRP A 90 10.938 1.590 -5.665 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.212 0.891 -4.082 1.00 0.00 H new ATOM 0 HD1 TRP A 90 12.256 4.120 -6.017 1.00 0.00 H new ATOM 0 HE1 TRP A 90 12.361 6.084 -4.338 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.246 1.502 -1.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.037 6.421 -1.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.150 2.723 0.390 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.538 5.151 0.475 1.00 0.00 H new ATOM 1501 N GLU A 91 14.181 1.816 -7.222 1.00 0.00 N ATOM 1502 CA GLU A 91 15.109 2.730 -7.878 1.00 0.00 C ATOM 1503 C GLU A 91 14.462 4.090 -8.117 1.00 0.00 C ATOM 1504 O GLU A 91 13.242 4.196 -8.240 1.00 0.00 O ATOM 1505 CB GLU A 91 15.584 2.138 -9.207 1.00 0.00 C ATOM 1506 CG GLU A 91 16.595 3.007 -9.934 1.00 0.00 C ATOM 1507 CD GLU A 91 17.592 2.194 -10.736 1.00 0.00 C ATOM 1508 OE1 GLU A 91 18.424 1.496 -10.117 1.00 0.00 O ATOM 1509 OE2 GLU A 91 17.542 2.254 -11.983 1.00 0.00 O ATOM 0 H GLU A 91 13.759 1.126 -7.843 1.00 0.00 H new ATOM 0 HA GLU A 91 15.967 2.869 -7.220 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.026 1.159 -9.022 1.00 0.00 H new ATOM 0 HB3 GLU A 91 14.721 1.981 -9.854 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.069 3.690 -10.601 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.131 3.619 -9.209 1.00 0.00 H new ATOM 1516 N GLY A 92 15.290 5.129 -8.183 1.00 0.00 N ATOM 1517 CA GLY A 92 14.783 6.471 -8.408 1.00 0.00 C ATOM 1518 C GLY A 92 13.739 6.876 -7.387 1.00 0.00 C ATOM 1519 O GLY A 92 14.010 6.894 -6.186 1.00 0.00 O ATOM 0 H GLY A 92 16.303 5.065 -8.085 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.611 7.179 -8.376 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.351 6.530 -9.407 1.00 0.00 H new ATOM 1523 N GLU A 93 12.543 7.202 -7.864 1.00 0.00 N ATOM 1524 CA GLU A 93 11.455 7.608 -6.983 1.00 0.00 C ATOM 1525 C GLU A 93 10.152 6.913 -7.376 1.00 0.00 C ATOM 1526 O GLU A 93 9.914 6.650 -8.555 1.00 0.00 O ATOM 1527 CB GLU A 93 11.272 9.126 -7.028 1.00 0.00 C ATOM 1528 CG GLU A 93 10.312 9.656 -5.977 1.00 0.00 C ATOM 1529 CD GLU A 93 10.334 11.168 -5.875 1.00 0.00 C ATOM 1530 OE1 GLU A 93 11.332 11.778 -6.315 1.00 0.00 O ATOM 1531 OE2 GLU A 93 9.355 11.743 -5.356 1.00 0.00 O ATOM 0 H GLU A 93 12.303 7.193 -8.855 1.00 0.00 H new ATOM 0 HA GLU A 93 11.713 7.312 -5.966 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.242 9.604 -6.895 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.909 9.410 -8.016 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.301 9.327 -6.215 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.567 9.227 -5.008 1.00 0.00 H new ATOM 1538 N PRO A 94 9.280 6.619 -6.394 1.00 0.00 N ATOM 1539 CA PRO A 94 7.995 5.969 -6.643 1.00 0.00 C ATOM 1540 C PRO A 94 6.985 6.948 -7.216 1.00 0.00 C ATOM 1541 O PRO A 94 6.780 8.028 -6.664 1.00 0.00 O ATOM 1542 CB PRO A 94 7.547 5.487 -5.250 1.00 0.00 C ATOM 1543 CG PRO A 94 8.673 5.809 -4.320 1.00 0.00 C ATOM 1544 CD PRO A 94 9.456 6.910 -4.972 1.00 0.00 C ATOM 0 HA PRO A 94 8.075 5.160 -7.369 1.00 0.00 H new ATOM 0 HB2 PRO A 94 6.630 5.988 -4.940 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.339 4.417 -5.256 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.296 6.124 -3.347 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.300 4.934 -4.151 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.070 7.895 -4.708 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.506 6.890 -4.680 1.00 0.00 H new ATOM 1552 N TRP A 95 6.353 6.579 -8.324 1.00 0.00 N ATOM 1553 CA TRP A 95 5.372 7.459 -8.938 1.00 0.00 C ATOM 1554 C TRP A 95 4.134 6.704 -9.402 1.00 0.00 C ATOM 1555 O TRP A 95 3.022 6.986 -8.958 1.00 0.00 O ATOM 1556 CB TRP A 95 5.986 8.228 -10.112 1.00 0.00 C ATOM 1557 CG TRP A 95 6.716 7.382 -11.123 1.00 0.00 C ATOM 1558 CD1 TRP A 95 8.037 7.045 -11.106 1.00 0.00 C ATOM 1559 CD2 TRP A 95 6.172 6.790 -12.312 1.00 0.00 C ATOM 1560 NE1 TRP A 95 8.355 6.298 -12.220 1.00 0.00 N ATOM 1561 CE2 TRP A 95 7.226 6.131 -12.974 1.00 0.00 C ATOM 1562 CE3 TRP A 95 4.898 6.755 -12.882 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 7.044 5.455 -14.180 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 4.716 6.081 -14.075 1.00 0.00 C ATOM 1565 CH2 TRP A 95 5.785 5.442 -14.714 1.00 0.00 C ATOM 0 H TRP A 95 6.500 5.693 -8.807 1.00 0.00 H new ATOM 0 HA TRP A 95 5.062 8.168 -8.170 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.192 8.773 -10.623 1.00 0.00 H new ATOM 0 HB3 TRP A 95 6.678 8.971 -9.716 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.735 7.324 -10.330 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.280 5.930 -12.445 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.067 7.247 -12.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.867 4.960 -14.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.733 6.047 -14.521 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.612 4.928 -15.648 1.00 0.00 H new ATOM 1576 N GLY A 96 4.330 5.756 -10.305 1.00 0.00 N ATOM 1577 CA GLY A 96 3.212 4.985 -10.822 1.00 0.00 C ATOM 1578 C GLY A 96 2.104 5.861 -11.378 1.00 0.00 C ATOM 1579 O GLY A 96 2.170 6.308 -12.523 1.00 0.00 O ATOM 0 H GLY A 96 5.240 5.505 -10.691 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.569 4.316 -11.605 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.809 4.358 -10.026 1.00 0.00 H new ATOM 1583 N LYS A 97 1.077 6.101 -10.567 1.00 0.00 N ATOM 1584 CA LYS A 97 -0.053 6.928 -10.991 1.00 0.00 C ATOM 1585 C LYS A 97 -1.138 7.028 -9.913 1.00 0.00 C ATOM 1586 O LYS A 97 -2.294 7.315 -10.220 1.00 0.00 O ATOM 1587 CB LYS A 97 -0.662 6.370 -12.281 1.00 0.00 C ATOM 1588 CG LYS A 97 -0.892 7.425 -13.351 1.00 0.00 C ATOM 1589 CD LYS A 97 -2.014 8.374 -12.964 1.00 0.00 C ATOM 1590 CE LYS A 97 -3.375 7.709 -13.090 1.00 0.00 C ATOM 1591 NZ LYS A 97 -3.941 7.858 -14.459 1.00 0.00 N ATOM 0 H LYS A 97 1.002 5.737 -9.617 1.00 0.00 H new ATOM 0 HA LYS A 97 0.334 7.932 -11.166 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.004 5.598 -12.679 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.612 5.889 -12.046 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.026 7.991 -13.509 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.134 6.939 -14.296 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.867 8.713 -11.939 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.980 9.258 -13.600 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.286 6.650 -12.847 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.061 8.145 -12.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.869 7.391 -14.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.050 8.868 -14.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.299 7.419 -15.150 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.769 6.804 -8.652 1.00 0.00 N ATOM 1606 CA GLU A 98 -1.722 6.885 -7.555 1.00 0.00 C ATOM 1607 C GLU A 98 -2.185 8.323 -7.349 1.00 0.00 C ATOM 1608 O GLU A 98 -3.329 8.571 -6.969 1.00 0.00 O ATOM 1609 CB GLU A 98 -1.080 6.346 -6.283 1.00 0.00 C ATOM 1610 CG GLU A 98 -1.272 4.857 -6.116 1.00 0.00 C ATOM 1611 CD GLU A 98 -2.241 4.522 -5.000 1.00 0.00 C ATOM 1612 OE1 GLU A 98 -2.301 5.291 -4.017 1.00 0.00 O ATOM 1613 OE2 GLU A 98 -2.938 3.494 -5.108 1.00 0.00 O ATOM 0 H GLU A 98 0.182 6.566 -8.369 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.596 6.281 -7.800 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.014 6.571 -6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.504 6.861 -5.421 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -1.638 4.433 -7.051 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.309 4.390 -5.910 1.00 0.00 H new ATOM 1620 N GLY A 99 -1.286 9.266 -7.611 1.00 0.00 N ATOM 1621 CA GLY A 99 -1.616 10.671 -7.458 1.00 0.00 C ATOM 1622 C GLY A 99 -1.557 11.134 -6.016 1.00 0.00 C ATOM 1623 O GLY A 99 -2.348 11.979 -5.597 1.00 0.00 O ATOM 0 H GLY A 99 -0.334 9.082 -7.927 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.927 11.269 -8.055 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.617 10.850 -7.852 1.00 0.00 H new ATOM 1627 N GLN A 100 -0.619 10.582 -5.255 1.00 0.00 N ATOM 1628 CA GLN A 100 -0.465 10.948 -3.852 1.00 0.00 C ATOM 1629 C GLN A 100 1.005 11.049 -3.468 1.00 0.00 C ATOM 1630 O GLN A 100 1.625 10.064 -3.066 1.00 0.00 O ATOM 1631 CB GLN A 100 -1.175 9.933 -2.957 1.00 0.00 C ATOM 1632 CG GLN A 100 -2.660 9.796 -3.248 1.00 0.00 C ATOM 1633 CD GLN A 100 -3.251 8.521 -2.682 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -2.681 7.440 -2.828 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -4.401 8.640 -2.028 1.00 0.00 N ATOM 0 H GLN A 100 0.045 9.881 -5.585 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.921 11.928 -3.708 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.699 8.960 -3.077 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.043 10.226 -1.915 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -3.188 10.653 -2.831 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -2.818 9.818 -4.326 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -4.840 9.556 -1.930 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.845 7.816 -1.624 1.00 0.00 H new ATOM 1644 N PRO A 101 1.577 12.258 -3.581 1.00 0.00 N ATOM 1645 CA PRO A 101 2.980 12.513 -3.241 1.00 0.00 C ATOM 1646 C PRO A 101 3.402 11.845 -1.934 1.00 0.00 C ATOM 1647 O PRO A 101 2.666 11.869 -0.948 1.00 0.00 O ATOM 1648 CB PRO A 101 3.001 14.029 -3.092 1.00 0.00 C ATOM 1649 CG PRO A 101 2.000 14.505 -4.081 1.00 0.00 C ATOM 1650 CD PRO A 101 0.897 13.484 -4.053 1.00 0.00 C ATOM 0 HA PRO A 101 3.669 12.116 -3.987 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.737 14.334 -2.079 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.991 14.436 -3.299 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.627 15.495 -3.817 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.437 14.584 -5.076 1.00 0.00 H new ATOM 0 HD2 PRO A 101 0.092 13.781 -3.381 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.454 13.344 -5.039 1.00 0.00 H new ATOM 1658 N GLY A 102 4.592 11.254 -1.935 1.00 0.00 N ATOM 1659 CA GLY A 102 5.092 10.591 -0.744 1.00 0.00 C ATOM 1660 C GLY A 102 6.538 10.943 -0.444 1.00 0.00 C ATOM 1661 O GLY A 102 7.177 11.671 -1.204 1.00 0.00 O ATOM 0 H GLY A 102 5.219 11.222 -2.739 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.471 10.866 0.108 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.003 9.512 -0.869 1.00 0.00 H new ATOM 1665 N GLU A 103 7.053 10.424 0.667 1.00 0.00 N ATOM 1666 CA GLU A 103 8.433 10.683 1.069 1.00 0.00 C ATOM 1667 C GLU A 103 9.037 9.454 1.741 1.00 0.00 C ATOM 1668 O GLU A 103 8.312 8.602 2.257 1.00 0.00 O ATOM 1669 CB GLU A 103 8.493 11.881 2.018 1.00 0.00 C ATOM 1670 CG GLU A 103 9.726 12.748 1.826 1.00 0.00 C ATOM 1671 CD GLU A 103 10.815 12.448 2.838 1.00 0.00 C ATOM 1672 OE1 GLU A 103 11.575 11.479 2.623 1.00 0.00 O ATOM 1673 OE2 GLU A 103 10.907 13.180 3.845 1.00 0.00 O ATOM 0 H GLU A 103 6.535 9.821 1.306 1.00 0.00 H new ATOM 0 HA GLU A 103 9.013 10.910 0.175 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.603 12.493 1.874 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.469 11.521 3.046 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.118 12.597 0.820 1.00 0.00 H new ATOM 0 HG3 GLU A 103 9.443 13.798 1.903 1.00 0.00 H new ATOM 1680 N TRP A 104 10.364 9.361 1.731 1.00 0.00 N ATOM 1681 CA TRP A 104 11.047 8.223 2.344 1.00 0.00 C ATOM 1682 C TRP A 104 11.095 8.382 3.860 1.00 0.00 C ATOM 1683 O TRP A 104 11.844 9.205 4.387 1.00 0.00 O ATOM 1684 CB TRP A 104 12.474 8.072 1.788 1.00 0.00 C ATOM 1685 CG TRP A 104 12.654 8.638 0.410 1.00 0.00 C ATOM 1686 CD1 TRP A 104 11.738 8.643 -0.602 1.00 0.00 C ATOM 1687 CD2 TRP A 104 13.826 9.281 -0.105 1.00 0.00 C ATOM 1688 NE1 TRP A 104 12.268 9.250 -1.715 1.00 0.00 N ATOM 1689 CE2 TRP A 104 13.548 9.651 -1.435 1.00 0.00 C ATOM 1690 CE3 TRP A 104 15.082 9.582 0.429 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 14.481 10.304 -2.236 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 16.007 10.230 -0.368 1.00 0.00 C ATOM 1693 CH2 TRP A 104 15.702 10.586 -1.687 1.00 0.00 C ATOM 0 H TRP A 104 10.984 10.053 1.310 1.00 0.00 H new ATOM 0 HA TRP A 104 10.483 7.323 2.099 1.00 0.00 H new ATOM 0 HB2 TRP A 104 13.171 8.564 2.466 1.00 0.00 H new ATOM 0 HB3 TRP A 104 12.737 7.014 1.773 1.00 0.00 H new ATOM 0 HD1 TRP A 104 10.742 8.230 -0.537 1.00 0.00 H new ATOM 0 HE1 TRP A 104 11.787 9.381 -2.605 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.326 9.313 1.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 14.249 10.578 -3.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 16.981 10.466 0.034 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.446 11.094 -2.283 1.00 0.00 H new ATOM 1704 N MET A 105 10.289 7.586 4.556 1.00 0.00 N ATOM 1705 CA MET A 105 10.235 7.631 6.014 1.00 0.00 C ATOM 1706 C MET A 105 10.624 6.284 6.615 1.00 0.00 C ATOM 1707 O MET A 105 10.625 5.265 5.927 1.00 0.00 O ATOM 1708 CB MET A 105 8.833 8.026 6.481 1.00 0.00 C ATOM 1709 CG MET A 105 7.760 7.014 6.115 1.00 0.00 C ATOM 1710 SD MET A 105 6.175 7.369 6.896 1.00 0.00 S ATOM 1711 CE MET A 105 6.495 6.826 8.573 1.00 0.00 C ATOM 0 H MET A 105 9.663 6.901 4.133 1.00 0.00 H new ATOM 0 HA MET A 105 10.949 8.380 6.356 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.843 8.156 7.563 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.573 8.991 6.046 1.00 0.00 H new ATOM 0 HG2 MET A 105 7.632 7.001 5.033 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.090 6.018 6.409 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.555 6.763 9.121 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.970 5.845 8.553 1.00 0.00 H new ATOM 0 HE3 MET A 105 7.155 7.539 9.067 1.00 0.00 H new ATOM 1721 N SER A 106 10.947 6.285 7.904 1.00 0.00 N ATOM 1722 CA SER A 106 11.331 5.058 8.593 1.00 0.00 C ATOM 1723 C SER A 106 10.100 4.222 8.930 1.00 0.00 C ATOM 1724 O SER A 106 9.255 4.635 9.724 1.00 0.00 O ATOM 1725 CB SER A 106 12.106 5.386 9.871 1.00 0.00 C ATOM 1726 OG SER A 106 11.645 6.593 10.452 1.00 0.00 O ATOM 0 H SER A 106 10.951 7.119 8.491 1.00 0.00 H new ATOM 0 HA SER A 106 11.973 4.480 7.928 1.00 0.00 H new ATOM 0 HB2 SER A 106 11.997 4.570 10.586 1.00 0.00 H new ATOM 0 HB3 SER A 106 13.169 5.471 9.644 1.00 0.00 H new ATOM 0 HG SER A 106 12.155 6.779 11.268 1.00 0.00 H new ATOM 1732 N LEU A 107 10.004 3.044 8.322 1.00 0.00 N ATOM 1733 CA LEU A 107 8.875 2.150 8.557 1.00 0.00 C ATOM 1734 C LEU A 107 8.972 1.496 9.931 1.00 0.00 C ATOM 1735 O LEU A 107 7.959 1.146 10.537 1.00 0.00 O ATOM 1736 CB LEU A 107 8.811 1.075 7.472 1.00 0.00 C ATOM 1737 CG LEU A 107 7.418 0.493 7.219 1.00 0.00 C ATOM 1738 CD1 LEU A 107 6.926 -0.268 8.440 1.00 0.00 C ATOM 1739 CD2 LEU A 107 6.440 1.597 6.847 1.00 0.00 C ATOM 0 H LEU A 107 10.695 2.686 7.662 1.00 0.00 H new ATOM 0 HA LEU A 107 7.963 2.746 8.522 1.00 0.00 H new ATOM 0 HB2 LEU A 107 9.186 1.498 6.540 1.00 0.00 H new ATOM 0 HB3 LEU A 107 9.483 0.262 7.747 1.00 0.00 H new ATOM 0 HG LEU A 107 7.483 -0.205 6.385 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.934 -0.674 8.240 1.00 0.00 H new ATOM 0 HD12 LEU A 107 7.614 -1.084 8.662 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.876 0.407 9.294 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.455 1.166 6.670 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.380 2.319 7.661 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.784 2.098 5.942 1.00 0.00 H new ATOM 1751 N VAL A 108 10.199 1.334 10.421 1.00 0.00 N ATOM 1752 CA VAL A 108 10.428 0.724 11.726 1.00 0.00 C ATOM 1753 C VAL A 108 9.610 1.418 12.815 1.00 0.00 C ATOM 1754 O VAL A 108 9.334 0.833 13.862 1.00 0.00 O ATOM 1755 CB VAL A 108 11.920 0.763 12.109 1.00 0.00 C ATOM 1756 CG1 VAL A 108 12.412 2.200 12.209 1.00 0.00 C ATOM 1757 CG2 VAL A 108 12.159 0.018 13.415 1.00 0.00 C ATOM 0 H VAL A 108 11.049 1.617 9.933 1.00 0.00 H new ATOM 0 HA VAL A 108 10.108 -0.315 11.649 1.00 0.00 H new ATOM 0 HB VAL A 108 12.488 0.264 11.324 1.00 0.00 H new ATOM 0 HG11 VAL A 108 13.468 2.205 12.480 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.282 2.697 11.248 1.00 0.00 H new ATOM 0 HG13 VAL A 108 11.839 2.729 12.971 1.00 0.00 H new ATOM 0 HG21 VAL A 108 13.219 0.057 13.668 1.00 0.00 H new ATOM 0 HG22 VAL A 108 11.579 0.484 14.211 1.00 0.00 H new ATOM 0 HG23 VAL A 108 11.851 -1.022 13.302 1.00 0.00 H new ATOM 1767 N GLY A 109 9.227 2.666 12.560 1.00 0.00 N ATOM 1768 CA GLY A 109 8.446 3.413 13.526 1.00 0.00 C ATOM 1769 C GLY A 109 7.127 3.891 12.954 1.00 0.00 C ATOM 1770 O GLY A 109 6.717 5.028 13.187 1.00 0.00 O ATOM 0 H GLY A 109 9.444 3.172 11.701 1.00 0.00 H new ATOM 0 HA2 GLY A 109 8.256 2.787 14.398 1.00 0.00 H new ATOM 0 HA3 GLY A 109 9.023 4.272 13.870 1.00 0.00 H new ATOM 1774 N LEU A 110 6.458 3.017 12.208 1.00 0.00 N ATOM 1775 CA LEU A 110 5.174 3.354 11.603 1.00 0.00 C ATOM 1776 C LEU A 110 4.141 3.651 12.683 1.00 0.00 C ATOM 1777 O LEU A 110 4.193 3.081 13.773 1.00 0.00 O ATOM 1778 CB LEU A 110 4.690 2.205 10.715 1.00 0.00 C ATOM 1779 CG LEU A 110 3.710 2.600 9.609 1.00 0.00 C ATOM 1780 CD1 LEU A 110 4.248 3.777 8.809 1.00 0.00 C ATOM 1781 CD2 LEU A 110 3.438 1.415 8.699 1.00 0.00 C ATOM 0 H LEU A 110 6.783 2.071 12.008 1.00 0.00 H new ATOM 0 HA LEU A 110 5.303 4.245 10.988 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.558 1.732 10.256 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.215 1.455 11.347 1.00 0.00 H new ATOM 0 HG LEU A 110 2.771 2.905 10.072 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.536 4.042 8.028 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.394 4.630 9.471 1.00 0.00 H new ATOM 0 HD13 LEU A 110 5.200 3.503 8.354 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.739 1.710 7.916 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.372 1.083 8.245 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.008 0.600 9.281 1.00 0.00 H new ATOM 1793 N ASN A 111 3.216 4.563 12.392 1.00 0.00 N ATOM 1794 CA ASN A 111 2.198 4.938 13.364 1.00 0.00 C ATOM 1795 C ASN A 111 0.785 4.735 12.834 1.00 0.00 C ATOM 1796 O ASN A 111 0.450 5.164 11.730 1.00 0.00 O ATOM 1797 CB ASN A 111 2.390 6.396 13.784 1.00 0.00 C ATOM 1798 CG ASN A 111 2.707 6.537 15.260 1.00 0.00 C ATOM 1799 OD1 ASN A 111 3.523 5.794 15.806 1.00 0.00 O ATOM 1800 ND2 ASN A 111 2.061 7.496 15.914 1.00 0.00 N ATOM 0 H ASN A 111 3.152 5.051 11.499 1.00 0.00 H new ATOM 0 HA ASN A 111 2.319 4.283 14.227 1.00 0.00 H new ATOM 0 HB2 ASN A 111 3.197 6.836 13.198 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.486 6.959 13.554 1.00 0.00 H new ATOM 0 HD21 ASN A 111 2.233 7.640 16.909 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.393 8.089 15.421 1.00 0.00 H new ATOM 1807 N ALA A 112 -0.045 4.096 13.653 1.00 0.00 N ATOM 1808 CA ALA A 112 -1.435 3.851 13.299 1.00 0.00 C ATOM 1809 C ALA A 112 -2.241 5.153 13.357 1.00 0.00 C ATOM 1810 O ALA A 112 -3.359 5.226 12.848 1.00 0.00 O ATOM 1811 CB ALA A 112 -2.047 2.802 14.220 1.00 0.00 C ATOM 0 H ALA A 112 0.224 3.738 14.569 1.00 0.00 H new ATOM 0 HA ALA A 112 -1.467 3.471 12.278 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -3.087 2.633 13.939 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.490 1.869 14.130 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.002 3.153 15.251 1.00 0.00 H new ATOM 1817 N ASP A 113 -1.671 6.175 13.996 1.00 0.00 N ATOM 1818 CA ASP A 113 -2.339 7.467 14.128 1.00 0.00 C ATOM 1819 C ASP A 113 -2.234 8.289 12.841 1.00 0.00 C ATOM 1820 O ASP A 113 -3.233 8.815 12.349 1.00 0.00 O ATOM 1821 CB ASP A 113 -1.739 8.254 15.295 1.00 0.00 C ATOM 1822 CG ASP A 113 -2.469 9.559 15.547 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -3.684 9.514 15.835 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -1.826 10.625 15.457 1.00 0.00 O ATOM 0 H ASP A 113 -0.749 6.132 14.430 1.00 0.00 H new ATOM 0 HA ASP A 113 -3.394 7.275 14.322 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -1.771 7.643 16.197 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.689 8.462 15.088 1.00 0.00 H new ATOM 1829 N ASP A 114 -1.020 8.403 12.303 1.00 0.00 N ATOM 1830 CA ASP A 114 -0.795 9.171 11.077 1.00 0.00 C ATOM 1831 C ASP A 114 -1.469 8.508 9.884 1.00 0.00 C ATOM 1832 O ASP A 114 -1.921 9.182 8.961 1.00 0.00 O ATOM 1833 CB ASP A 114 0.702 9.353 10.781 1.00 0.00 C ATOM 1834 CG ASP A 114 1.616 8.671 11.784 1.00 0.00 C ATOM 1835 OD1 ASP A 114 1.620 9.087 12.962 1.00 0.00 O ATOM 1836 OD2 ASP A 114 2.326 7.723 11.389 1.00 0.00 O ATOM 0 H ASP A 114 -0.180 7.976 12.694 1.00 0.00 H new ATOM 0 HA ASP A 114 -1.236 10.154 11.239 1.00 0.00 H new ATOM 0 HB2 ASP A 114 0.915 8.963 9.786 1.00 0.00 H new ATOM 0 HB3 ASP A 114 0.931 10.418 10.761 1.00 0.00 H new ATOM 1841 N PHE A 115 -1.526 7.184 9.906 1.00 0.00 N ATOM 1842 CA PHE A 115 -2.141 6.426 8.825 1.00 0.00 C ATOM 1843 C PHE A 115 -3.643 6.257 9.078 1.00 0.00 C ATOM 1844 O PHE A 115 -4.138 6.611 10.148 1.00 0.00 O ATOM 1845 CB PHE A 115 -1.440 5.061 8.693 1.00 0.00 C ATOM 1846 CG PHE A 115 -2.234 3.904 9.225 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -2.814 3.982 10.473 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -2.398 2.746 8.484 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -3.547 2.934 10.982 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -3.131 1.692 8.986 1.00 0.00 C ATOM 1851 CZ PHE A 115 -3.706 1.787 10.237 1.00 0.00 C ATOM 0 H PHE A 115 -1.153 6.611 10.663 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.024 6.969 7.887 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -1.217 4.880 7.641 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.486 5.104 9.218 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -2.691 4.880 11.061 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -1.948 2.668 7.505 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -3.995 3.011 11.961 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.255 0.793 8.401 1.00 0.00 H new ATOM 0 HZ PHE A 115 -4.281 0.962 10.632 1.00 0.00 H new ATOM 1861 N PRO A 116 -4.390 5.701 8.105 1.00 0.00 N ATOM 1862 CA PRO A 116 -5.832 5.484 8.257 1.00 0.00 C ATOM 1863 C PRO A 116 -6.133 4.344 9.233 1.00 0.00 C ATOM 1864 O PRO A 116 -5.599 3.247 9.091 1.00 0.00 O ATOM 1865 CB PRO A 116 -6.283 5.111 6.844 1.00 0.00 C ATOM 1866 CG PRO A 116 -5.075 4.513 6.209 1.00 0.00 C ATOM 1867 CD PRO A 116 -3.892 5.236 6.797 1.00 0.00 C ATOM 0 HA PRO A 116 -6.343 6.357 8.662 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -7.111 4.402 6.866 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -6.628 5.987 6.294 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -5.018 3.443 6.411 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -5.105 4.632 5.126 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.032 4.576 6.906 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -3.577 6.069 6.168 1.00 0.00 H new ATOM 1875 N PRO A 117 -6.988 4.589 10.244 1.00 0.00 N ATOM 1876 CA PRO A 117 -7.340 3.572 11.248 1.00 0.00 C ATOM 1877 C PRO A 117 -8.065 2.366 10.652 1.00 0.00 C ATOM 1878 O PRO A 117 -8.185 1.325 11.299 1.00 0.00 O ATOM 1879 CB PRO A 117 -8.264 4.322 12.215 1.00 0.00 C ATOM 1880 CG PRO A 117 -8.776 5.485 11.437 1.00 0.00 C ATOM 1881 CD PRO A 117 -7.670 5.869 10.498 1.00 0.00 C ATOM 0 HA PRO A 117 -6.449 3.156 11.718 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -9.080 3.685 12.555 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -7.724 4.649 13.103 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -9.680 5.221 10.889 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -9.034 6.313 12.097 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -8.056 6.309 9.579 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -6.998 6.602 10.945 1.00 0.00 H new ATOM 1889 N ALA A 118 -8.551 2.509 9.425 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.267 1.427 8.755 1.00 0.00 C ATOM 1891 C ALA A 118 -8.331 0.302 8.324 1.00 0.00 C ATOM 1892 O ALA A 118 -8.784 -0.756 7.887 1.00 0.00 O ATOM 1893 CB ALA A 118 -10.031 1.967 7.556 1.00 0.00 C ATOM 0 H ALA A 118 -8.463 3.362 8.873 1.00 0.00 H new ATOM 0 HA ALA A 118 -9.972 1.007 9.472 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -10.561 1.151 7.065 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -10.748 2.717 7.889 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -9.332 2.421 6.853 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.030 0.538 8.429 1.00 0.00 N ATOM 1900 CA ASN A 119 -6.039 -0.453 8.027 1.00 0.00 C ATOM 1901 C ASN A 119 -5.124 -0.829 9.195 1.00 0.00 C ATOM 1902 O ASN A 119 -3.946 -1.129 9.000 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.216 0.116 6.872 1.00 0.00 C ATOM 1904 CG ASN A 119 -5.668 -0.393 5.515 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -4.850 -0.624 4.624 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -6.974 -0.565 5.345 1.00 0.00 N ATOM 0 H ASN A 119 -6.636 1.407 8.789 1.00 0.00 H new ATOM 0 HA ASN A 119 -6.553 -1.360 7.709 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -5.283 1.204 6.887 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -4.167 -0.141 7.019 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -7.332 -0.900 4.451 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -7.619 -0.362 6.109 1.00 0.00 H new ATOM 1913 N GLU A 120 -5.669 -0.801 10.409 1.00 0.00 N ATOM 1914 CA GLU A 120 -4.894 -1.124 11.608 1.00 0.00 C ATOM 1915 C GLU A 120 -4.653 -2.627 11.774 1.00 0.00 C ATOM 1916 O GLU A 120 -3.596 -3.029 12.246 1.00 0.00 O ATOM 1917 CB GLU A 120 -5.583 -0.558 12.853 1.00 0.00 C ATOM 1918 CG GLU A 120 -4.792 0.548 13.534 1.00 0.00 C ATOM 1919 CD GLU A 120 -4.122 0.086 14.812 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -3.309 -0.860 14.748 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -4.411 0.670 15.878 1.00 0.00 O ATOM 0 H GLU A 120 -6.643 -0.558 10.590 1.00 0.00 H new ATOM 0 HA GLU A 120 -3.916 -0.658 11.486 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -6.563 -0.173 12.573 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -5.750 -1.366 13.565 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -4.034 0.923 12.846 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -5.459 1.381 13.759 1.00 0.00 H new ATOM 1928 N PRO A 121 -5.618 -3.486 11.409 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.460 -4.939 11.551 1.00 0.00 C ATOM 1930 C PRO A 121 -4.143 -5.454 10.971 1.00 0.00 C ATOM 1931 O PRO A 121 -3.473 -6.289 11.578 1.00 0.00 O ATOM 1932 CB PRO A 121 -6.644 -5.498 10.765 1.00 0.00 C ATOM 1933 CG PRO A 121 -7.681 -4.432 10.840 1.00 0.00 C ATOM 1934 CD PRO A 121 -6.935 -3.126 10.848 1.00 0.00 C ATOM 0 HA PRO A 121 -5.438 -5.242 12.598 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -6.369 -5.712 9.732 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -7.003 -6.431 11.199 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.360 -4.488 9.989 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.287 -4.540 11.739 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.844 -2.709 9.845 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.441 -2.378 11.459 1.00 0.00 H new ATOM 1942 N VAL A 122 -3.779 -4.956 9.796 1.00 0.00 N ATOM 1943 CA VAL A 122 -2.545 -5.370 9.138 1.00 0.00 C ATOM 1944 C VAL A 122 -1.335 -4.699 9.771 1.00 0.00 C ATOM 1945 O VAL A 122 -0.360 -5.357 10.133 1.00 0.00 O ATOM 1946 CB VAL A 122 -2.551 -5.037 7.630 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -1.628 -5.980 6.871 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -3.963 -5.087 7.060 1.00 0.00 C ATOM 0 H VAL A 122 -4.321 -4.264 9.278 1.00 0.00 H new ATOM 0 HA VAL A 122 -2.482 -6.451 9.264 1.00 0.00 H new ATOM 0 HB VAL A 122 -2.180 -4.019 7.508 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -1.645 -5.730 5.810 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -0.612 -5.879 7.251 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.965 -7.007 7.007 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -3.935 -4.848 5.997 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.375 -6.087 7.197 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -4.590 -4.362 7.578 1.00 0.00 H new ATOM 1958 N ILE A 123 -1.407 -3.379 9.894 1.00 0.00 N ATOM 1959 CA ILE A 123 -0.322 -2.604 10.475 1.00 0.00 C ATOM 1960 C ILE A 123 -0.099 -2.974 11.935 1.00 0.00 C ATOM 1961 O ILE A 123 1.022 -2.937 12.425 1.00 0.00 O ATOM 1962 CB ILE A 123 -0.596 -1.092 10.362 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -0.631 -0.675 8.886 1.00 0.00 C ATOM 1964 CG2 ILE A 123 0.455 -0.297 11.129 1.00 0.00 C ATOM 1965 CD1 ILE A 123 0.585 0.111 8.443 1.00 0.00 C ATOM 0 H ILE A 123 -2.209 -2.823 9.597 1.00 0.00 H new ATOM 0 HA ILE A 123 0.580 -2.842 9.911 1.00 0.00 H new ATOM 0 HB ILE A 123 -1.568 -0.875 10.806 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -0.719 -1.568 8.268 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -1.524 -0.075 8.709 1.00 0.00 H new ATOM 0 HG21 ILE A 123 0.244 0.768 11.037 1.00 0.00 H new ATOM 0 HG22 ILE A 123 0.431 -0.582 12.181 1.00 0.00 H new ATOM 0 HG23 ILE A 123 1.442 -0.508 10.718 1.00 0.00 H new ATOM 0 HD11 ILE A 123 0.487 0.369 7.389 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.664 1.023 9.034 1.00 0.00 H new ATOM 0 HD13 ILE A 123 1.481 -0.493 8.587 1.00 0.00 H new ATOM 1977 N ALA A 124 -1.170 -3.334 12.627 1.00 0.00 N ATOM 1978 CA ALA A 124 -1.074 -3.712 14.031 1.00 0.00 C ATOM 1979 C ALA A 124 -0.058 -4.829 14.213 1.00 0.00 C ATOM 1980 O ALA A 124 0.600 -4.926 15.249 1.00 0.00 O ATOM 1981 CB ALA A 124 -2.436 -4.138 14.559 1.00 0.00 C ATOM 0 H ALA A 124 -2.114 -3.373 12.241 1.00 0.00 H new ATOM 0 HA ALA A 124 -0.738 -2.846 14.601 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -2.348 -4.417 15.609 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -3.139 -3.311 14.461 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.798 -4.991 13.986 1.00 0.00 H new ATOM 1987 N LYS A 125 0.064 -5.673 13.194 1.00 0.00 N ATOM 1988 CA LYS A 125 1.002 -6.792 13.234 1.00 0.00 C ATOM 1989 C LYS A 125 2.452 -6.318 13.097 1.00 0.00 C ATOM 1990 O LYS A 125 3.307 -6.671 13.911 1.00 0.00 O ATOM 1991 CB LYS A 125 0.674 -7.794 12.125 1.00 0.00 C ATOM 1992 CG LYS A 125 -0.150 -8.979 12.602 1.00 0.00 C ATOM 1993 CD LYS A 125 -1.449 -8.529 13.250 1.00 0.00 C ATOM 1994 CE LYS A 125 -2.152 -9.682 13.948 1.00 0.00 C ATOM 1995 NZ LYS A 125 -3.076 -9.207 15.015 1.00 0.00 N ATOM 0 H LYS A 125 -0.474 -5.605 12.330 1.00 0.00 H new ATOM 0 HA LYS A 125 0.898 -7.277 14.205 1.00 0.00 H new ATOM 0 HB2 LYS A 125 0.131 -7.280 11.331 1.00 0.00 H new ATOM 0 HB3 LYS A 125 1.604 -8.160 11.690 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -0.370 -9.633 11.759 1.00 0.00 H new ATOM 0 HG3 LYS A 125 0.431 -9.564 13.316 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -1.242 -7.738 13.971 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -2.108 -8.105 12.492 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -2.712 -10.262 13.215 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -1.409 -10.350 14.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -3.535 -10.024 15.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -2.538 -8.675 15.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -3.801 -8.590 14.597 1.00 0.00 H new ATOM 2009 N LEU A 126 2.727 -5.533 12.058 1.00 0.00 N ATOM 2010 CA LEU A 126 4.077 -5.028 11.806 1.00 0.00 C ATOM 2011 C LEU A 126 4.421 -3.853 12.717 1.00 0.00 C ATOM 2012 O LEU A 126 5.576 -3.674 13.102 1.00 0.00 O ATOM 2013 CB LEU A 126 4.220 -4.608 10.341 1.00 0.00 C ATOM 2014 CG LEU A 126 5.409 -5.225 9.602 1.00 0.00 C ATOM 2015 CD1 LEU A 126 5.411 -6.738 9.761 1.00 0.00 C ATOM 2016 CD2 LEU A 126 5.378 -4.841 8.131 1.00 0.00 C ATOM 0 H LEU A 126 2.032 -5.232 11.375 1.00 0.00 H new ATOM 0 HA LEU A 126 4.775 -5.836 12.023 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.305 -4.875 9.812 1.00 0.00 H new ATOM 0 HB3 LEU A 126 4.309 -3.522 10.297 1.00 0.00 H new ATOM 0 HG LEU A 126 6.327 -4.834 10.040 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.264 -7.159 9.228 1.00 0.00 H new ATOM 0 HD12 LEU A 126 5.482 -6.993 10.818 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.489 -7.148 9.350 1.00 0.00 H new ATOM 0 HD21 LEU A 126 6.231 -5.288 7.620 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.454 -5.203 7.680 1.00 0.00 H new ATOM 0 HD23 LEU A 126 5.427 -3.756 8.037 1.00 0.00 H new ATOM 2028 N LYS A 127 3.417 -3.051 13.051 1.00 0.00 N ATOM 2029 CA LYS A 127 3.614 -1.886 13.910 1.00 0.00 C ATOM 2030 C LYS A 127 4.296 -2.275 15.209 1.00 0.00 C ATOM 2031 O LYS A 127 5.210 -1.594 15.674 1.00 0.00 O ATOM 2032 CB LYS A 127 2.276 -1.235 14.214 1.00 0.00 C ATOM 2033 CG LYS A 127 2.394 0.095 14.939 1.00 0.00 C ATOM 2034 CD LYS A 127 1.131 0.927 14.790 1.00 0.00 C ATOM 2035 CE LYS A 127 0.244 0.819 16.019 1.00 0.00 C ATOM 2036 NZ LYS A 127 -0.796 -0.235 15.863 1.00 0.00 N ATOM 0 H LYS A 127 2.455 -3.185 12.740 1.00 0.00 H new ATOM 0 HA LYS A 127 4.254 -1.180 13.381 1.00 0.00 H new ATOM 0 HB2 LYS A 127 1.736 -1.083 13.280 1.00 0.00 H new ATOM 0 HB3 LYS A 127 1.679 -1.917 14.820 1.00 0.00 H new ATOM 0 HG2 LYS A 127 2.591 -0.082 15.996 1.00 0.00 H new ATOM 0 HG3 LYS A 127 3.245 0.651 14.545 1.00 0.00 H new ATOM 0 HD2 LYS A 127 1.399 1.970 14.624 1.00 0.00 H new ATOM 0 HD3 LYS A 127 0.578 0.596 13.911 1.00 0.00 H new ATOM 0 HE2 LYS A 127 0.858 0.596 16.891 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -0.237 1.779 16.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -1.432 -0.220 16.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -1.345 -0.056 14.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -0.339 -1.167 15.796 1.00 0.00 H new ATOM 2050 N ARG A 128 3.859 -3.390 15.780 1.00 0.00 N ATOM 2051 CA ARG A 128 4.444 -3.885 17.013 1.00 0.00 C ATOM 2052 C ARG A 128 5.875 -4.346 16.757 1.00 0.00 C ATOM 2053 O ARG A 128 6.623 -4.639 17.691 1.00 0.00 O ATOM 2054 CB ARG A 128 3.605 -5.037 17.574 1.00 0.00 C ATOM 2055 CG ARG A 128 4.217 -5.701 18.798 1.00 0.00 C ATOM 2056 CD ARG A 128 3.323 -6.806 19.337 1.00 0.00 C ATOM 2057 NE ARG A 128 4.093 -7.974 19.762 1.00 0.00 N ATOM 2058 CZ ARG A 128 3.569 -9.186 19.933 1.00 0.00 C ATOM 2059 NH1 ARG A 128 2.276 -9.393 19.718 1.00 0.00 N ATOM 2060 NH2 ARG A 128 4.340 -10.192 20.320 1.00 0.00 N ATOM 0 H ARG A 128 3.103 -3.965 15.408 1.00 0.00 H new ATOM 0 HA ARG A 128 4.458 -3.080 17.748 1.00 0.00 H new ATOM 0 HB2 ARG A 128 2.615 -4.661 17.833 1.00 0.00 H new ATOM 0 HB3 ARG A 128 3.468 -5.787 16.795 1.00 0.00 H new ATOM 0 HG2 ARG A 128 5.192 -6.114 18.540 1.00 0.00 H new ATOM 0 HG3 ARG A 128 4.382 -4.954 19.574 1.00 0.00 H new ATOM 0 HD2 ARG A 128 2.745 -6.426 20.180 1.00 0.00 H new ATOM 0 HD3 ARG A 128 2.609 -7.102 18.568 1.00 0.00 H new ATOM 0 HE ARG A 128 5.090 -7.853 19.938 1.00 0.00 H new ATOM 0 HH11 ARG A 128 1.679 -8.622 19.420 1.00 0.00 H new ATOM 0 HH12 ARG A 128 1.880 -10.323 19.850 1.00 0.00 H new ATOM 0 HH21 ARG A 128 5.334 -10.038 20.487 1.00 0.00 H new ATOM 0 HH22 ARG A 128 3.939 -11.121 20.451 1.00 0.00 H new ATOM 2074 N LEU A 129 6.251 -4.404 15.479 1.00 0.00 N ATOM 2075 CA LEU A 129 7.594 -4.825 15.096 1.00 0.00 C ATOM 2076 C LEU A 129 7.873 -6.247 15.568 1.00 0.00 C ATOM 2077 O LEU A 129 8.081 -6.488 16.757 1.00 0.00 O ATOM 2078 CB LEU A 129 8.636 -3.866 15.678 1.00 0.00 C ATOM 2079 CG LEU A 129 8.962 -2.652 14.805 1.00 0.00 C ATOM 2080 CD1 LEU A 129 7.727 -1.787 14.611 1.00 0.00 C ATOM 2081 CD2 LEU A 129 10.093 -1.841 15.421 1.00 0.00 C ATOM 0 H LEU A 129 5.644 -4.165 14.695 1.00 0.00 H new ATOM 0 HA LEU A 129 7.659 -4.804 14.008 1.00 0.00 H new ATOM 0 HB2 LEU A 129 8.281 -3.513 16.646 1.00 0.00 H new ATOM 0 HB3 LEU A 129 9.556 -4.421 15.859 1.00 0.00 H new ATOM 0 HG LEU A 129 9.288 -3.008 13.828 1.00 0.00 H new ATOM 0 HD11 LEU A 129 7.978 -0.929 13.988 1.00 0.00 H new ATOM 0 HD12 LEU A 129 6.946 -2.372 14.125 1.00 0.00 H new ATOM 0 HD13 LEU A 129 7.370 -1.439 15.581 1.00 0.00 H new ATOM 0 HD21 LEU A 129 10.312 -0.982 14.787 1.00 0.00 H new ATOM 0 HD22 LEU A 129 9.796 -1.495 16.411 1.00 0.00 H new ATOM 0 HD23 LEU A 129 10.983 -2.464 15.507 1.00 0.00 H new TER 2093 LEU A 129 HETATM 2094 MG MG A 130 -4.905 1.808 -10.363 1.00 0.00 MG HETATM 2095 OP3 8OG A 131 -9.197 7.148 -4.059 1.00 20.00 O HETATM 2096 P 8OG A 131 -10.174 5.898 -4.331 1.00 20.00 P HETATM 2097 OP1 8OG A 131 -9.345 4.704 -4.609 1.00 20.00 O HETATM 2098 OP2 8OG A 131 -11.193 6.313 -5.322 1.00 20.00 O HETATM 2099 O5' 8OG A 131 -10.892 5.710 -2.902 1.00 20.00 O HETATM 2100 C5' 8OG A 131 -11.693 4.554 -2.647 1.00 20.00 C HETATM 2101 C4' 8OG A 131 -10.856 3.278 -2.771 1.00 20.00 C HETATM 2102 O4' 8OG A 131 -9.697 3.097 -1.950 1.00 20.00 O HETATM 2103 C3' 8OG A 131 -11.656 2.005 -2.493 1.00 20.00 C HETATM 2104 O3' 8OG A 131 -11.791 1.201 -3.668 1.00 20.00 O HETATM 2105 C2' 8OG A 131 -10.928 1.250 -1.375 1.00 20.00 C HETATM 2106 C1' 8OG A 131 -9.689 2.053 -0.968 1.00 20.00 C HETATM 2107 N9 8OG A 131 -9.465 2.215 0.487 1.00 20.00 N HETATM 2108 C8 8OG A 131 -10.443 2.683 1.326 1.00 20.00 C HETATM 2109 N7 8OG A 131 -9.870 2.657 2.569 1.00 20.00 N HETATM 2110 C5 8OG A 131 -8.584 2.188 2.517 1.00 20.00 C HETATM 2111 C6 8OG A 131 -7.608 1.968 3.424 1.00 20.00 C HETATM 2112 O6 8OG A 131 -7.846 2.226 4.654 1.00 20.00 O HETATM 2113 N1 8OG A 131 -6.354 1.471 3.082 1.00 20.00 N HETATM 2114 C2 8OG A 131 -6.120 1.199 1.761 1.00 20.00 C HETATM 2115 N2 8OG A 131 -4.911 0.721 1.434 1.00 20.00 N HETATM 2116 N3 8OG A 131 -7.063 1.392 0.746 1.00 20.00 N HETATM 2117 C4 8OG A 131 -8.310 1.902 1.195 1.00 20.00 C HETATM 2118 O8 8OG A 131 -11.632 3.050 1.023 1.00 20.00 O HETATM 0 HO3' 8OG A 131 -10.947 1.205 -4.166 1.00 20.00 H new HETATM 0 H5'' 8OG A 131 -12.123 4.617 -1.648 1.00 20.00 H new HETATM 0 H2'' 8OG A 131 -11.588 1.114 -0.519 1.00 20.00 H new HETATM 0 H7 8OG A 131 -10.341 2.950 3.425 1.00 20.00 H new HETATM 0 H5' 8OG A 131 -12.525 4.519 -3.351 1.00 20.00 H new HETATM 0 H4' 8OG A 131 -10.535 3.433 -3.801 1.00 20.00 H new HETATM 0 H3' 8OG A 131 -12.671 2.255 -2.185 1.00 20.00 H new HETATM 0 H22 8OG A 131 -4.694 0.505 0.461 1.00 20.00 H new HETATM 0 H21 8OG A 131 -4.208 0.573 2.158 1.00 20.00 H new HETATM 0 H2' 8OG A 131 -10.639 0.256 -1.716 1.00 20.00 H new HETATM 0 H1' 8OG A 131 -8.704 1.588 -1.015 1.00 20.00 H new HETATM 0 H1 8OG A 131 -5.636 1.315 3.789 1.00 20.00 H new HETATM 2131 O HOH A5167 -6.290 2.800 -11.610 1.00 0.00 O HETATM 2132 O HOH A5168 -4.566 3.618 -9.334 1.00 0.00 O