USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 645 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 ASN : amide:sc= -0.293 K(o=-0.24,f=-4.2!) USER MOD Set 1.2: A 37 SER OG : rot 158:sc= 0.0512 USER MOD Set 2.1: A 1 MET N :NH3+ -100:sc= 1.22 (180deg=1) USER MOD Set 2.2: A 5 GLN : amide:sc= 0.558 K(o=1.8,f=0.35) USER MOD Single : A 1 MET CE :methyl -135:sc= -1.31 (180deg=-4.11!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.377 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 9 ASN : amide:sc= -5.35! C(o=-5.4!,f=-2.8!) USER MOD Single : A 12 GLN : amide:sc= -0.0977 K(o=-0.098,f=-3!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 99:sc= 1.28 USER MOD Single : A 32 LYS NZ :NH3+ 172:sc= -0.0091 (180deg=-0.118) USER MOD Single : A 36 ASN : amide:sc= -0.47 K(o=-0.47,f=-2.2!) USER MOD Single : A 38 SER OG : rot 24:sc= 0.418 USER MOD Single : A 40 THR OG1 : rot -170:sc= 0.0108 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 77:sc= 1.02 USER MOD Single : A 52 LYS NZ :NH3+ 155:sc= 0.327 (180deg=-0.175) USER MOD Single : A 62 ASN : amide:sc= 0.456 X(o=0.46,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.862 K(o=-0.86,f=-0.0041) USER MOD Single : A 65 ASN : amide:sc= 0.17 K(o=0.17,f=-3!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -166:sc= 1.22 (180deg=0.866) USER MOD Single : A 82 SER OG : rot 180:sc= -0.109 USER MOD Single : A 83 THR OG1 : rot 2:sc= 1.12 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0514 USER MOD Single : A 86 ASN : amide:sc= -0.533 K(o=-0.53,f=-1.8!) USER MOD Single : A 88 ASN : amide:sc= -0.0358 K(o=-0.036,f=-1) USER MOD Single : A 89 SER OG : rot 180:sc= 0.0369 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.956 -0.759 4.492 1.00 1.70 N ATOM 2 CA MET A 1 11.620 -1.190 4.958 1.00 1.61 C ATOM 3 C MET A 1 11.613 -1.299 6.466 1.00 0.88 C ATOM 4 O MET A 1 12.477 -1.944 7.058 1.00 1.16 O ATOM 5 CB MET A 1 11.236 -2.531 4.317 1.00 2.50 C ATOM 6 CG MET A 1 9.863 -3.056 4.724 1.00 2.77 C ATOM 7 SD MET A 1 9.829 -3.745 6.392 1.00 2.91 S ATOM 8 CE MET A 1 8.150 -4.345 6.493 1.00 2.61 C ATOM 0 H1 MET A 1 12.940 0.260 4.287 1.00 1.70 H new ATOM 0 H2 MET A 1 13.661 -0.952 5.232 1.00 1.70 H new ATOM 0 H3 MET A 1 13.208 -1.282 3.629 1.00 1.70 H new ATOM 0 HA MET A 1 10.883 -0.446 4.657 1.00 1.61 H new ATOM 0 HB2 MET A 1 11.263 -2.422 3.233 1.00 2.50 H new ATOM 0 HB3 MET A 1 11.988 -3.274 4.581 1.00 2.50 H new ATOM 0 HG2 MET A 1 9.137 -2.245 4.658 1.00 2.77 H new ATOM 0 HG3 MET A 1 9.550 -3.822 4.015 1.00 2.77 H new ATOM 0 HE1 MET A 1 7.718 -4.058 7.452 1.00 2.61 H new ATOM 0 HE2 MET A 1 7.560 -3.913 5.685 1.00 2.61 H new ATOM 0 HE3 MET A 1 8.146 -5.431 6.404 1.00 2.61 H new ATOM 20 N THR A 2 10.642 -0.650 7.087 1.00 0.65 N ATOM 21 CA THR A 2 10.519 -0.694 8.530 1.00 1.13 C ATOM 22 C THR A 2 9.102 -0.965 8.975 1.00 1.10 C ATOM 23 O THR A 2 8.803 -0.909 10.162 1.00 1.86 O ATOM 24 CB THR A 2 10.971 0.624 9.158 1.00 1.75 C ATOM 25 OG1 THR A 2 10.456 1.717 8.381 1.00 2.36 O ATOM 26 CG2 THR A 2 12.485 0.704 9.251 1.00 2.63 C ATOM 0 H THR A 2 9.932 -0.090 6.615 1.00 0.65 H new ATOM 0 HA THR A 2 11.159 -1.512 8.863 1.00 1.13 H new ATOM 0 HB THR A 2 10.580 0.680 10.174 1.00 1.75 H new ATOM 0 HG1 THR A 2 10.741 2.565 8.780 1.00 2.36 H new ATOM 0 HG21 THR A 2 12.772 1.654 9.702 1.00 2.63 H new ATOM 0 HG22 THR A 2 12.856 -0.116 9.866 1.00 2.63 H new ATOM 0 HG23 THR A 2 12.915 0.632 8.252 1.00 2.63 H new ATOM 34 N CYS A 3 8.238 -1.236 8.010 1.00 0.81 N ATOM 35 CA CYS A 3 6.792 -1.312 8.241 1.00 0.69 C ATOM 36 C CYS A 3 6.255 0.101 8.500 1.00 0.65 C ATOM 37 O CYS A 3 5.128 0.434 8.145 1.00 0.79 O ATOM 38 CB CYS A 3 6.456 -2.270 9.398 1.00 0.76 C ATOM 39 SG CYS A 3 4.755 -2.929 9.380 1.00 0.70 S ATOM 0 H CYS A 3 8.512 -1.410 7.043 1.00 0.81 H new ATOM 0 HA CYS A 3 6.307 -1.720 7.354 1.00 0.69 H new ATOM 0 HB2 CYS A 3 7.154 -3.106 9.372 1.00 0.76 H new ATOM 0 HB3 CYS A 3 6.618 -1.748 10.341 1.00 0.76 H new ATOM 44 N GLY A 4 7.108 0.945 9.077 1.00 0.57 N ATOM 45 CA GLY A 4 6.816 2.354 9.194 1.00 0.56 C ATOM 46 C GLY A 4 7.037 3.032 7.868 1.00 0.51 C ATOM 47 O GLY A 4 6.390 4.025 7.543 1.00 0.53 O ATOM 0 H GLY A 4 8.008 0.667 9.469 1.00 0.57 H new ATOM 0 HA2 GLY A 4 5.785 2.495 9.518 1.00 0.56 H new ATOM 0 HA3 GLY A 4 7.454 2.805 9.954 1.00 0.56 H new ATOM 51 N GLN A 5 7.977 2.485 7.101 1.00 0.52 N ATOM 52 CA GLN A 5 8.136 2.852 5.704 1.00 0.51 C ATOM 53 C GLN A 5 6.814 2.637 4.986 1.00 0.46 C ATOM 54 O GLN A 5 6.374 3.477 4.204 1.00 0.52 O ATOM 55 CB GLN A 5 9.233 2.011 5.042 1.00 0.60 C ATOM 56 CG GLN A 5 9.487 2.374 3.584 1.00 0.62 C ATOM 57 CD GLN A 5 10.525 1.483 2.923 1.00 0.81 C ATOM 58 OE1 GLN A 5 11.721 1.764 2.965 1.00 1.25 O ATOM 59 NE2 GLN A 5 10.072 0.408 2.293 1.00 0.96 N ATOM 0 H GLN A 5 8.641 1.783 7.429 1.00 0.52 H new ATOM 0 HA GLN A 5 8.429 3.900 5.641 1.00 0.51 H new ATOM 0 HB2 GLN A 5 10.159 2.131 5.604 1.00 0.60 H new ATOM 0 HB3 GLN A 5 8.958 0.958 5.102 1.00 0.60 H new ATOM 0 HG2 GLN A 5 8.551 2.305 3.030 1.00 0.62 H new ATOM 0 HG3 GLN A 5 9.816 3.411 3.526 1.00 0.62 H new ATOM 0 HE21 GLN A 5 9.072 0.208 2.280 1.00 0.96 H new ATOM 0 HE22 GLN A 5 10.724 -0.219 1.821 1.00 0.96 H new ATOM 68 N VAL A 6 6.179 1.502 5.275 1.00 0.43 N ATOM 69 CA VAL A 6 4.857 1.197 4.708 1.00 0.44 C ATOM 70 C VAL A 6 3.815 2.212 5.163 1.00 0.44 C ATOM 71 O VAL A 6 2.906 2.563 4.410 1.00 0.49 O ATOM 72 CB VAL A 6 4.366 -0.209 5.117 1.00 0.49 C ATOM 73 CG1 VAL A 6 2.939 -0.460 4.657 1.00 1.02 C ATOM 74 CG2 VAL A 6 5.262 -1.275 4.550 1.00 1.12 C ATOM 0 H VAL A 6 6.551 0.781 5.893 1.00 0.43 H new ATOM 0 HA VAL A 6 4.974 1.239 3.625 1.00 0.44 H new ATOM 0 HB VAL A 6 4.395 -0.251 6.206 1.00 0.49 H new ATOM 0 HG11 VAL A 6 2.629 -1.459 4.963 1.00 1.02 H new ATOM 0 HG12 VAL A 6 2.276 0.279 5.107 1.00 1.02 H new ATOM 0 HG13 VAL A 6 2.887 -0.381 3.571 1.00 1.02 H new ATOM 0 HG21 VAL A 6 4.896 -2.256 4.852 1.00 1.12 H new ATOM 0 HG22 VAL A 6 5.265 -1.207 3.462 1.00 1.12 H new ATOM 0 HG23 VAL A 6 6.276 -1.135 4.925 1.00 1.12 H new ATOM 84 N GLN A 7 3.954 2.684 6.397 1.00 0.47 N ATOM 85 CA GLN A 7 2.994 3.614 6.969 1.00 0.54 C ATOM 86 C GLN A 7 2.861 4.856 6.092 1.00 0.58 C ATOM 87 O GLN A 7 1.774 5.387 5.934 1.00 0.70 O ATOM 88 CB GLN A 7 3.400 4.006 8.390 1.00 0.66 C ATOM 89 CG GLN A 7 2.316 4.754 9.148 1.00 0.98 C ATOM 90 CD GLN A 7 2.744 5.141 10.547 1.00 1.27 C ATOM 91 OE1 GLN A 7 3.922 5.388 10.803 1.00 1.97 O ATOM 92 NE2 GLN A 7 1.794 5.188 11.466 1.00 1.69 N ATOM 0 H GLN A 7 4.724 2.436 7.019 1.00 0.47 H new ATOM 0 HA GLN A 7 2.025 3.117 7.014 1.00 0.54 H new ATOM 0 HB2 GLN A 7 3.664 3.106 8.945 1.00 0.66 H new ATOM 0 HB3 GLN A 7 4.295 4.627 8.345 1.00 0.66 H new ATOM 0 HG2 GLN A 7 2.045 5.652 8.594 1.00 0.98 H new ATOM 0 HG3 GLN A 7 1.423 4.132 9.205 1.00 0.98 H new ATOM 0 HE21 GLN A 7 0.829 4.976 11.213 1.00 1.69 H new ATOM 0 HE22 GLN A 7 2.027 5.436 12.428 1.00 1.69 H new ATOM 101 N GLY A 8 3.962 5.287 5.481 1.00 0.60 N ATOM 102 CA GLY A 8 3.915 6.446 4.601 1.00 0.70 C ATOM 103 C GLY A 8 3.040 6.218 3.376 1.00 0.66 C ATOM 104 O GLY A 8 2.685 7.164 2.669 1.00 0.82 O ATOM 0 H GLY A 8 4.882 4.858 5.578 1.00 0.60 H new ATOM 0 HA2 GLY A 8 3.538 7.304 5.157 1.00 0.70 H new ATOM 0 HA3 GLY A 8 4.926 6.694 4.279 1.00 0.70 H new ATOM 108 N ASN A 9 2.698 4.959 3.126 1.00 0.58 N ATOM 109 CA ASN A 9 1.759 4.604 2.074 1.00 0.63 C ATOM 110 C ASN A 9 0.332 4.612 2.626 1.00 0.62 C ATOM 111 O ASN A 9 -0.518 5.373 2.163 1.00 0.78 O ATOM 112 CB ASN A 9 2.115 3.227 1.478 1.00 0.75 C ATOM 113 CG ASN A 9 1.035 2.633 0.584 1.00 1.30 C ATOM 114 OD1 ASN A 9 0.915 1.415 0.474 1.00 1.86 O ATOM 115 ND2 ASN A 9 0.241 3.474 -0.059 1.00 1.86 N ATOM 0 H ASN A 9 3.063 4.161 3.645 1.00 0.58 H new ATOM 0 HA ASN A 9 1.823 5.342 1.274 1.00 0.63 H new ATOM 0 HB2 ASN A 9 3.036 3.320 0.902 1.00 0.75 H new ATOM 0 HB3 ASN A 9 2.318 2.533 2.293 1.00 0.75 H new ATOM 0 HD21 ASN A 9 -0.496 3.116 -0.667 1.00 1.86 H new ATOM 0 HD22 ASN A 9 0.366 4.480 0.053 1.00 1.86 H new ATOM 122 N LEU A 10 0.092 3.792 3.642 1.00 0.56 N ATOM 123 CA LEU A 10 -1.254 3.609 4.186 1.00 0.66 C ATOM 124 C LEU A 10 -1.757 4.826 4.975 1.00 0.65 C ATOM 125 O LEU A 10 -2.941 5.168 4.899 1.00 0.72 O ATOM 126 CB LEU A 10 -1.302 2.354 5.068 1.00 0.89 C ATOM 127 CG LEU A 10 -1.661 1.051 4.342 1.00 1.00 C ATOM 128 CD1 LEU A 10 -3.014 1.174 3.655 1.00 1.45 C ATOM 129 CD2 LEU A 10 -0.584 0.673 3.336 1.00 1.73 C ATOM 0 H LEU A 10 0.812 3.241 4.109 1.00 0.56 H new ATOM 0 HA LEU A 10 -1.922 3.490 3.333 1.00 0.66 H new ATOM 0 HB2 LEU A 10 -0.330 2.228 5.544 1.00 0.89 H new ATOM 0 HB3 LEU A 10 -2.028 2.518 5.864 1.00 0.89 H new ATOM 0 HG LEU A 10 -1.723 0.257 5.086 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -3.250 0.239 3.146 1.00 1.45 H new ATOM 0 HD12 LEU A 10 -3.782 1.386 4.399 1.00 1.45 H new ATOM 0 HD13 LEU A 10 -2.980 1.985 2.927 1.00 1.45 H new ATOM 0 HD21 LEU A 10 -0.863 -0.254 2.835 1.00 1.73 H new ATOM 0 HD22 LEU A 10 -0.481 1.468 2.597 1.00 1.73 H new ATOM 0 HD23 LEU A 10 0.365 0.534 3.854 1.00 1.73 H new ATOM 141 N ALA A 11 -0.867 5.490 5.708 1.00 0.62 N ATOM 142 CA ALA A 11 -1.261 6.583 6.603 1.00 0.69 C ATOM 143 C ALA A 11 -1.891 7.743 5.842 1.00 0.63 C ATOM 144 O ALA A 11 -2.789 8.416 6.347 1.00 0.72 O ATOM 145 CB ALA A 11 -0.066 7.083 7.402 1.00 0.77 C ATOM 0 H ALA A 11 0.134 5.293 5.702 1.00 0.62 H new ATOM 0 HA ALA A 11 -2.009 6.180 7.286 1.00 0.69 H new ATOM 0 HB1 ALA A 11 -0.381 7.894 8.059 1.00 0.77 H new ATOM 0 HB2 ALA A 11 0.339 6.267 8.001 1.00 0.77 H new ATOM 0 HB3 ALA A 11 0.702 7.447 6.719 1.00 0.77 H new ATOM 151 N GLN A 12 -1.435 7.958 4.622 1.00 0.56 N ATOM 152 CA GLN A 12 -1.905 9.077 3.815 1.00 0.53 C ATOM 153 C GLN A 12 -3.283 8.804 3.238 1.00 0.52 C ATOM 154 O GLN A 12 -3.978 9.723 2.809 1.00 0.60 O ATOM 155 CB GLN A 12 -0.924 9.344 2.683 1.00 0.56 C ATOM 156 CG GLN A 12 0.467 9.746 3.141 1.00 0.52 C ATOM 157 CD GLN A 12 0.560 11.205 3.537 1.00 1.30 C ATOM 158 OE1 GLN A 12 -0.408 11.807 4.012 1.00 2.18 O ATOM 159 NE2 GLN A 12 1.726 11.792 3.324 1.00 1.88 N ATOM 0 H GLN A 12 -0.737 7.372 4.164 1.00 0.56 H new ATOM 0 HA GLN A 12 -1.973 9.952 4.461 1.00 0.53 H new ATOM 0 HB2 GLN A 12 -0.846 8.448 2.067 1.00 0.56 H new ATOM 0 HB3 GLN A 12 -1.327 10.133 2.048 1.00 0.56 H new ATOM 0 HG2 GLN A 12 0.758 9.126 3.989 1.00 0.52 H new ATOM 0 HG3 GLN A 12 1.179 9.546 2.340 1.00 0.52 H new ATOM 0 HE21 GLN A 12 2.501 11.259 2.930 1.00 1.88 H new ATOM 0 HE22 GLN A 12 1.850 12.778 3.554 1.00 1.88 H new ATOM 168 N CYS A 13 -3.675 7.546 3.220 1.00 0.52 N ATOM 169 CA CYS A 13 -4.968 7.173 2.687 1.00 0.56 C ATOM 170 C CYS A 13 -5.966 6.939 3.787 1.00 0.53 C ATOM 171 O CYS A 13 -7.131 6.739 3.508 1.00 0.56 O ATOM 172 CB CYS A 13 -4.849 5.951 1.784 1.00 0.69 C ATOM 173 SG CYS A 13 -4.632 6.370 0.029 1.00 1.23 S ATOM 0 H CYS A 13 -3.117 6.766 3.568 1.00 0.52 H new ATOM 0 HA CYS A 13 -5.334 8.004 2.084 1.00 0.56 H new ATOM 0 HB2 CYS A 13 -4.004 5.346 2.113 1.00 0.69 H new ATOM 0 HB3 CYS A 13 -5.743 5.337 1.896 1.00 0.69 H new ATOM 178 N ILE A 14 -5.527 7.024 5.039 1.00 0.58 N ATOM 179 CA ILE A 14 -6.439 6.845 6.169 1.00 0.67 C ATOM 180 C ILE A 14 -7.643 7.781 6.037 1.00 0.67 C ATOM 181 O ILE A 14 -8.759 7.439 6.430 1.00 0.77 O ATOM 182 CB ILE A 14 -5.728 7.068 7.524 1.00 0.80 C ATOM 183 CG1 ILE A 14 -4.681 5.971 7.754 1.00 0.98 C ATOM 184 CG2 ILE A 14 -6.734 7.090 8.669 1.00 1.04 C ATOM 185 CD1 ILE A 14 -3.921 6.114 9.056 1.00 1.11 C ATOM 0 H ILE A 14 -4.559 7.213 5.297 1.00 0.58 H new ATOM 0 HA ILE A 14 -6.788 5.813 6.148 1.00 0.67 H new ATOM 0 HB ILE A 14 -5.227 8.036 7.496 1.00 0.80 H new ATOM 0 HG12 ILE A 14 -5.176 5.000 7.738 1.00 0.98 H new ATOM 0 HG13 ILE A 14 -3.971 5.980 6.927 1.00 0.98 H new ATOM 0 HG21 ILE A 14 -6.209 7.248 9.611 1.00 1.04 H new ATOM 0 HG22 ILE A 14 -7.448 7.899 8.511 1.00 1.04 H new ATOM 0 HG23 ILE A 14 -7.265 6.139 8.705 1.00 1.04 H new ATOM 0 HD11 ILE A 14 -3.199 5.302 9.147 1.00 1.11 H new ATOM 0 HD12 ILE A 14 -3.396 7.069 9.068 1.00 1.11 H new ATOM 0 HD13 ILE A 14 -4.620 6.074 9.892 1.00 1.11 H new ATOM 197 N GLY A 15 -7.412 8.943 5.433 1.00 0.66 N ATOM 198 CA GLY A 15 -8.498 9.864 5.157 1.00 0.76 C ATOM 199 C GLY A 15 -9.465 9.323 4.133 1.00 0.86 C ATOM 200 O GLY A 15 -10.594 8.996 4.463 1.00 1.45 O ATOM 0 H GLY A 15 -6.492 9.262 5.130 1.00 0.66 H new ATOM 0 HA2 GLY A 15 -9.034 10.077 6.082 1.00 0.76 H new ATOM 0 HA3 GLY A 15 -8.088 10.809 4.801 1.00 0.76 H new ATOM 204 N PHE A 16 -9.005 9.238 2.888 1.00 0.61 N ATOM 205 CA PHE A 16 -9.816 8.752 1.772 1.00 0.60 C ATOM 206 C PHE A 16 -10.373 7.357 2.036 1.00 0.60 C ATOM 207 O PHE A 16 -11.526 7.069 1.721 1.00 0.69 O ATOM 208 CB PHE A 16 -8.972 8.732 0.499 1.00 0.59 C ATOM 209 CG PHE A 16 -9.481 7.776 -0.552 1.00 0.62 C ATOM 210 CD1 PHE A 16 -10.596 8.094 -1.314 1.00 0.73 C ATOM 211 CD2 PHE A 16 -8.835 6.576 -0.792 1.00 0.71 C ATOM 212 CE1 PHE A 16 -11.054 7.232 -2.295 1.00 0.86 C ATOM 213 CE2 PHE A 16 -9.291 5.709 -1.768 1.00 0.85 C ATOM 214 CZ PHE A 16 -10.440 5.992 -2.459 1.00 0.91 C ATOM 0 H PHE A 16 -8.057 9.505 2.622 1.00 0.61 H new ATOM 0 HA PHE A 16 -10.661 9.430 1.655 1.00 0.60 H new ATOM 0 HB2 PHE A 16 -8.941 9.737 0.079 1.00 0.59 H new ATOM 0 HB3 PHE A 16 -7.948 8.463 0.757 1.00 0.59 H new ATOM 0 HD1 PHE A 16 -11.113 9.026 -1.139 1.00 0.73 H new ATOM 0 HD2 PHE A 16 -7.964 6.313 -0.210 1.00 0.71 H new ATOM 0 HE1 PHE A 16 -11.881 7.518 -2.928 1.00 0.86 H new ATOM 0 HE2 PHE A 16 -8.740 4.806 -1.986 1.00 0.85 H new ATOM 0 HZ PHE A 16 -10.867 5.258 -3.127 1.00 0.91 H new ATOM 224 N LEU A 17 -9.530 6.497 2.592 1.00 0.56 N ATOM 225 CA LEU A 17 -9.918 5.139 2.939 1.00 0.67 C ATOM 226 C LEU A 17 -11.131 5.162 3.871 1.00 0.79 C ATOM 227 O LEU A 17 -11.939 4.240 3.874 1.00 0.87 O ATOM 228 CB LEU A 17 -8.751 4.404 3.618 1.00 0.74 C ATOM 229 CG LEU A 17 -7.599 3.910 2.731 1.00 0.79 C ATOM 230 CD1 LEU A 17 -7.138 2.535 3.180 1.00 0.96 C ATOM 231 CD2 LEU A 17 -7.969 3.900 1.261 1.00 1.43 C ATOM 0 H LEU A 17 -8.560 6.722 2.814 1.00 0.56 H new ATOM 0 HA LEU A 17 -10.181 4.609 2.024 1.00 0.67 H new ATOM 0 HB2 LEU A 17 -8.331 5.069 4.372 1.00 0.74 H new ATOM 0 HB3 LEU A 17 -9.160 3.542 4.145 1.00 0.74 H new ATOM 0 HG LEU A 17 -6.775 4.614 2.846 1.00 0.79 H new ATOM 0 HD11 LEU A 17 -6.321 2.199 2.541 1.00 0.96 H new ATOM 0 HD12 LEU A 17 -6.794 2.586 4.213 1.00 0.96 H new ATOM 0 HD13 LEU A 17 -7.968 1.832 3.108 1.00 0.96 H new ATOM 0 HD21 LEU A 17 -7.122 3.543 0.675 1.00 1.43 H new ATOM 0 HD22 LEU A 17 -8.822 3.240 1.105 1.00 1.43 H new ATOM 0 HD23 LEU A 17 -8.229 4.910 0.944 1.00 1.43 H new ATOM 243 N GLN A 18 -11.243 6.218 4.671 1.00 0.87 N ATOM 244 CA GLN A 18 -12.453 6.456 5.447 1.00 1.07 C ATOM 245 C GLN A 18 -13.444 7.241 4.621 1.00 1.09 C ATOM 246 O GLN A 18 -14.404 6.703 4.067 1.00 1.20 O ATOM 247 CB GLN A 18 -12.160 7.259 6.713 1.00 1.25 C ATOM 248 CG GLN A 18 -11.579 6.443 7.830 1.00 1.08 C ATOM 249 CD GLN A 18 -11.538 7.198 9.143 1.00 1.33 C ATOM 250 OE1 GLN A 18 -10.561 7.882 9.456 1.00 1.73 O ATOM 251 NE2 GLN A 18 -12.606 7.083 9.920 1.00 2.00 N ATOM 0 H GLN A 18 -10.513 6.919 4.798 1.00 0.87 H new ATOM 0 HA GLN A 18 -12.857 5.482 5.724 1.00 1.07 H new ATOM 0 HB2 GLN A 18 -11.469 8.066 6.468 1.00 1.25 H new ATOM 0 HB3 GLN A 18 -13.083 7.724 7.058 1.00 1.25 H new ATOM 0 HG2 GLN A 18 -12.168 5.535 7.956 1.00 1.08 H new ATOM 0 HG3 GLN A 18 -10.569 6.133 7.562 1.00 1.08 H new ATOM 0 HE21 GLN A 18 -13.393 6.506 9.623 1.00 2.00 H new ATOM 0 HE22 GLN A 18 -12.641 7.571 10.815 1.00 2.00 H new ATOM 260 N LYS A 19 -13.166 8.525 4.549 1.00 1.06 N ATOM 261 CA LYS A 19 -14.003 9.479 3.840 1.00 1.21 C ATOM 262 C LYS A 19 -13.138 10.377 2.963 1.00 1.34 C ATOM 263 O LYS A 19 -12.434 11.257 3.463 1.00 2.08 O ATOM 264 CB LYS A 19 -14.799 10.336 4.835 1.00 1.41 C ATOM 265 CG LYS A 19 -15.684 9.541 5.790 1.00 1.98 C ATOM 266 CD LYS A 19 -17.061 9.237 5.208 1.00 2.69 C ATOM 267 CE LYS A 19 -16.997 8.329 3.988 1.00 3.29 C ATOM 268 NZ LYS A 19 -18.347 7.876 3.563 1.00 4.09 N ATOM 0 H LYS A 19 -12.344 8.944 4.985 1.00 1.06 H new ATOM 0 HA LYS A 19 -14.703 8.929 3.212 1.00 1.21 H new ATOM 0 HB2 LYS A 19 -14.100 10.934 5.420 1.00 1.41 H new ATOM 0 HB3 LYS A 19 -15.424 11.033 4.276 1.00 1.41 H new ATOM 0 HG2 LYS A 19 -15.187 8.604 6.043 1.00 1.98 H new ATOM 0 HG3 LYS A 19 -15.803 10.100 6.718 1.00 1.98 H new ATOM 0 HD2 LYS A 19 -17.678 8.767 5.973 1.00 2.69 H new ATOM 0 HD3 LYS A 19 -17.550 10.172 4.934 1.00 2.69 H new ATOM 0 HE2 LYS A 19 -16.516 8.859 3.166 1.00 3.29 H new ATOM 0 HE3 LYS A 19 -16.377 7.461 4.213 1.00 3.29 H new ATOM 0 HZ1 LYS A 19 -18.260 7.260 2.730 1.00 4.09 H new ATOM 0 HZ2 LYS A 19 -18.796 7.348 4.338 1.00 4.09 H new ATOM 0 HZ3 LYS A 19 -18.931 8.702 3.323 1.00 4.09 H new ATOM 282 N GLY A 20 -13.174 10.142 1.664 1.00 1.18 N ATOM 283 CA GLY A 20 -12.350 10.910 0.758 1.00 1.47 C ATOM 284 C GLY A 20 -12.975 11.093 -0.607 1.00 1.29 C ATOM 285 O GLY A 20 -13.034 12.210 -1.122 1.00 1.99 O ATOM 0 H GLY A 20 -13.758 9.434 1.220 1.00 1.18 H new ATOM 0 HA2 GLY A 20 -12.156 11.889 1.196 1.00 1.47 H new ATOM 0 HA3 GLY A 20 -11.386 10.414 0.645 1.00 1.47 H new ATOM 289 N GLY A 21 -13.446 10.004 -1.198 1.00 1.10 N ATOM 290 CA GLY A 21 -13.951 10.070 -2.556 1.00 1.37 C ATOM 291 C GLY A 21 -12.839 9.924 -3.566 1.00 1.26 C ATOM 292 O GLY A 21 -12.830 8.999 -4.381 1.00 1.79 O ATOM 0 H GLY A 21 -13.488 9.081 -0.766 1.00 1.10 H new ATOM 0 HA2 GLY A 21 -14.689 9.283 -2.710 1.00 1.37 H new ATOM 0 HA3 GLY A 21 -14.462 11.021 -2.710 1.00 1.37 H new ATOM 296 N VAL A 22 -11.893 10.846 -3.496 1.00 1.14 N ATOM 297 CA VAL A 22 -10.751 10.851 -4.386 1.00 1.00 C ATOM 298 C VAL A 22 -9.465 10.638 -3.599 1.00 0.82 C ATOM 299 O VAL A 22 -9.414 10.908 -2.398 1.00 0.87 O ATOM 300 CB VAL A 22 -10.666 12.173 -5.176 1.00 1.11 C ATOM 301 CG1 VAL A 22 -11.849 12.309 -6.117 1.00 1.92 C ATOM 302 CG2 VAL A 22 -10.588 13.366 -4.232 1.00 1.28 C ATOM 0 H VAL A 22 -11.898 11.610 -2.820 1.00 1.14 H new ATOM 0 HA VAL A 22 -10.878 10.033 -5.096 1.00 1.00 H new ATOM 0 HB VAL A 22 -9.754 12.155 -5.772 1.00 1.11 H new ATOM 0 HG11 VAL A 22 -11.772 13.248 -6.666 1.00 1.92 H new ATOM 0 HG12 VAL A 22 -11.852 11.477 -6.821 1.00 1.92 H new ATOM 0 HG13 VAL A 22 -12.775 12.300 -5.541 1.00 1.92 H new ATOM 0 HG21 VAL A 22 -10.529 14.286 -4.813 1.00 1.28 H new ATOM 0 HG22 VAL A 22 -11.478 13.391 -3.603 1.00 1.28 H new ATOM 0 HG23 VAL A 22 -9.702 13.276 -3.604 1.00 1.28 H new ATOM 312 N VAL A 23 -8.436 10.139 -4.268 1.00 0.71 N ATOM 313 CA VAL A 23 -7.166 9.869 -3.614 1.00 0.58 C ATOM 314 C VAL A 23 -6.241 11.072 -3.714 1.00 0.54 C ATOM 315 O VAL A 23 -6.020 11.610 -4.800 1.00 0.58 O ATOM 316 CB VAL A 23 -6.466 8.635 -4.216 1.00 0.58 C ATOM 317 CG1 VAL A 23 -5.118 8.397 -3.552 1.00 0.51 C ATOM 318 CG2 VAL A 23 -7.348 7.412 -4.070 1.00 0.69 C ATOM 0 H VAL A 23 -8.456 9.913 -5.263 1.00 0.71 H new ATOM 0 HA VAL A 23 -7.384 9.665 -2.566 1.00 0.58 H new ATOM 0 HB VAL A 23 -6.293 8.822 -5.276 1.00 0.58 H new ATOM 0 HG11 VAL A 23 -4.644 7.521 -3.994 1.00 0.51 H new ATOM 0 HG12 VAL A 23 -4.480 9.268 -3.701 1.00 0.51 H new ATOM 0 HG13 VAL A 23 -5.263 8.231 -2.484 1.00 0.51 H new ATOM 0 HG21 VAL A 23 -6.843 6.546 -4.499 1.00 0.69 H new ATOM 0 HG22 VAL A 23 -7.546 7.230 -3.014 1.00 0.69 H new ATOM 0 HG23 VAL A 23 -8.290 7.578 -4.592 1.00 0.69 H new ATOM 328 N PRO A 24 -5.695 11.515 -2.575 1.00 0.54 N ATOM 329 CA PRO A 24 -4.777 12.649 -2.522 1.00 0.58 C ATOM 330 C PRO A 24 -3.403 12.286 -3.083 1.00 0.55 C ATOM 331 O PRO A 24 -2.953 11.142 -2.954 1.00 0.47 O ATOM 332 CB PRO A 24 -4.685 12.974 -1.020 1.00 0.67 C ATOM 333 CG PRO A 24 -5.741 12.144 -0.362 1.00 0.81 C ATOM 334 CD PRO A 24 -5.929 10.952 -1.242 1.00 0.59 C ATOM 0 HA PRO A 24 -5.123 13.491 -3.122 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -3.697 12.734 -0.627 1.00 0.67 H new ATOM 0 HB3 PRO A 24 -4.851 14.036 -0.838 1.00 0.67 H new ATOM 0 HG2 PRO A 24 -5.435 11.845 0.641 1.00 0.81 H new ATOM 0 HG3 PRO A 24 -6.670 12.704 -0.258 1.00 0.81 H new ATOM 0 HD2 PRO A 24 -5.223 10.156 -1.006 1.00 0.59 H new ATOM 0 HD3 PRO A 24 -6.929 10.529 -1.148 1.00 0.59 H new ATOM 342 N PRO A 25 -2.704 13.261 -3.693 1.00 0.65 N ATOM 343 CA PRO A 25 -1.383 13.041 -4.299 1.00 0.67 C ATOM 344 C PRO A 25 -0.334 12.670 -3.260 1.00 0.66 C ATOM 345 O PRO A 25 0.786 12.289 -3.590 1.00 0.71 O ATOM 346 CB PRO A 25 -1.041 14.392 -4.944 1.00 0.81 C ATOM 347 CG PRO A 25 -2.329 15.138 -5.007 1.00 1.03 C ATOM 348 CD PRO A 25 -3.143 14.656 -3.842 1.00 0.81 C ATOM 0 HA PRO A 25 -1.397 12.214 -5.009 1.00 0.67 H new ATOM 0 HB2 PRO A 25 -0.302 14.933 -4.353 1.00 0.81 H new ATOM 0 HB3 PRO A 25 -0.617 14.256 -5.939 1.00 0.81 H new ATOM 0 HG2 PRO A 25 -2.161 16.213 -4.947 1.00 1.03 H new ATOM 0 HG3 PRO A 25 -2.844 14.948 -5.948 1.00 1.03 H new ATOM 0 HD2 PRO A 25 -2.947 15.240 -2.943 1.00 0.81 H new ATOM 0 HD3 PRO A 25 -4.213 14.724 -4.040 1.00 0.81 H new ATOM 356 N SER A 26 -0.729 12.744 -2.003 1.00 0.68 N ATOM 357 CA SER A 26 0.158 12.469 -0.894 1.00 0.73 C ATOM 358 C SER A 26 0.224 10.974 -0.687 1.00 0.65 C ATOM 359 O SER A 26 1.299 10.392 -0.547 1.00 0.68 O ATOM 360 CB SER A 26 -0.362 13.152 0.369 1.00 0.83 C ATOM 361 OG SER A 26 -0.721 14.492 0.099 1.00 0.91 O ATOM 0 H SER A 26 -1.677 12.997 -1.724 1.00 0.68 H new ATOM 0 HA SER A 26 1.154 12.855 -1.110 1.00 0.73 H new ATOM 0 HB2 SER A 26 -1.226 12.609 0.753 1.00 0.83 H new ATOM 0 HB3 SER A 26 0.403 13.124 1.145 1.00 0.83 H new ATOM 0 HG SER A 26 -1.053 14.913 0.919 1.00 0.91 H new ATOM 367 N CYS A 27 -0.947 10.353 -0.706 1.00 0.58 N ATOM 368 CA CYS A 27 -1.035 8.918 -0.598 1.00 0.55 C ATOM 369 C CYS A 27 -0.442 8.291 -1.836 1.00 0.47 C ATOM 370 O CYS A 27 0.350 7.364 -1.740 1.00 0.48 O ATOM 371 CB CYS A 27 -2.481 8.461 -0.426 1.00 0.57 C ATOM 372 SG CYS A 27 -2.637 6.670 -0.146 1.00 0.74 S ATOM 0 H CYS A 27 -1.845 10.828 -0.796 1.00 0.58 H new ATOM 0 HA CYS A 27 -0.479 8.602 0.284 1.00 0.55 H new ATOM 0 HB2 CYS A 27 -2.926 8.994 0.414 1.00 0.57 H new ATOM 0 HB3 CYS A 27 -3.050 8.734 -1.315 1.00 0.57 H new ATOM 377 N CYS A 28 -0.793 8.838 -2.998 1.00 0.42 N ATOM 378 CA CYS A 28 -0.303 8.305 -4.256 1.00 0.40 C ATOM 379 C CYS A 28 1.213 8.327 -4.323 1.00 0.45 C ATOM 380 O CYS A 28 1.835 7.386 -4.820 1.00 0.50 O ATOM 381 CB CYS A 28 -0.903 9.044 -5.449 1.00 0.45 C ATOM 382 SG CYS A 28 -2.533 8.411 -5.925 1.00 1.40 S ATOM 0 H CYS A 28 -1.411 9.644 -3.089 1.00 0.42 H new ATOM 0 HA CYS A 28 -0.625 7.265 -4.305 1.00 0.40 H new ATOM 0 HB2 CYS A 28 -0.987 10.104 -5.209 1.00 0.45 H new ATOM 0 HB3 CYS A 28 -0.225 8.962 -6.299 1.00 0.45 H new ATOM 387 N THR A 29 1.807 9.388 -3.803 1.00 0.51 N ATOM 388 CA THR A 29 3.253 9.485 -3.746 1.00 0.58 C ATOM 389 C THR A 29 3.813 8.494 -2.724 1.00 0.54 C ATOM 390 O THR A 29 4.884 7.929 -2.917 1.00 0.56 O ATOM 391 CB THR A 29 3.699 10.921 -3.396 1.00 0.72 C ATOM 392 OG1 THR A 29 3.268 11.825 -4.419 1.00 0.79 O ATOM 393 CG2 THR A 29 5.208 11.014 -3.233 1.00 0.77 C ATOM 0 H THR A 29 1.311 10.191 -3.416 1.00 0.51 H new ATOM 0 HA THR A 29 3.647 9.237 -4.732 1.00 0.58 H new ATOM 0 HB THR A 29 3.240 11.192 -2.445 1.00 0.72 H new ATOM 0 HG1 THR A 29 2.447 12.277 -4.132 1.00 0.79 H new ATOM 0 HG21 THR A 29 5.485 12.039 -2.987 1.00 0.77 H new ATOM 0 HG22 THR A 29 5.529 10.349 -2.431 1.00 0.77 H new ATOM 0 HG23 THR A 29 5.693 10.720 -4.164 1.00 0.77 H new ATOM 401 N GLY A 30 3.065 8.267 -1.651 1.00 0.54 N ATOM 402 CA GLY A 30 3.481 7.308 -0.645 1.00 0.57 C ATOM 403 C GLY A 30 3.402 5.883 -1.144 1.00 0.47 C ATOM 404 O GLY A 30 4.244 5.055 -0.793 1.00 0.51 O ATOM 0 H GLY A 30 2.177 8.730 -1.459 1.00 0.54 H new ATOM 0 HA2 GLY A 30 4.504 7.527 -0.338 1.00 0.57 H new ATOM 0 HA3 GLY A 30 2.853 7.416 0.239 1.00 0.57 H new ATOM 408 N VAL A 31 2.383 5.587 -1.948 1.00 0.41 N ATOM 409 CA VAL A 31 2.316 4.304 -2.630 1.00 0.44 C ATOM 410 C VAL A 31 3.521 4.195 -3.534 1.00 0.39 C ATOM 411 O VAL A 31 4.269 3.229 -3.475 1.00 0.40 O ATOM 412 CB VAL A 31 1.052 4.142 -3.508 1.00 0.56 C ATOM 413 CG1 VAL A 31 0.843 2.683 -3.877 1.00 0.68 C ATOM 414 CG2 VAL A 31 -0.183 4.702 -2.829 1.00 0.65 C ATOM 0 H VAL A 31 1.601 6.214 -2.140 1.00 0.41 H new ATOM 0 HA VAL A 31 2.286 3.529 -1.864 1.00 0.44 H new ATOM 0 HB VAL A 31 1.212 4.717 -4.420 1.00 0.56 H new ATOM 0 HG11 VAL A 31 -0.050 2.588 -4.494 1.00 0.68 H new ATOM 0 HG12 VAL A 31 1.708 2.321 -4.432 1.00 0.68 H new ATOM 0 HG13 VAL A 31 0.721 2.092 -2.969 1.00 0.68 H new ATOM 0 HG21 VAL A 31 -1.048 4.568 -3.479 1.00 0.65 H new ATOM 0 HG22 VAL A 31 -0.351 4.177 -1.889 1.00 0.65 H new ATOM 0 HG23 VAL A 31 -0.039 5.764 -2.631 1.00 0.65 H new ATOM 424 N LYS A 32 3.710 5.232 -4.344 1.00 0.40 N ATOM 425 CA LYS A 32 4.845 5.316 -5.243 1.00 0.46 C ATOM 426 C LYS A 32 6.154 5.106 -4.472 1.00 0.44 C ATOM 427 O LYS A 32 7.097 4.512 -4.991 1.00 0.49 O ATOM 428 CB LYS A 32 4.857 6.677 -5.951 1.00 0.58 C ATOM 429 CG LYS A 32 5.920 6.806 -7.030 1.00 1.05 C ATOM 430 CD LYS A 32 5.716 5.796 -8.153 1.00 1.14 C ATOM 431 CE LYS A 32 4.375 5.978 -8.848 1.00 1.31 C ATOM 432 NZ LYS A 32 4.231 7.325 -9.463 1.00 1.54 N ATOM 0 H LYS A 32 3.080 6.033 -4.392 1.00 0.40 H new ATOM 0 HA LYS A 32 4.756 4.530 -5.993 1.00 0.46 H new ATOM 0 HB2 LYS A 32 3.878 6.851 -6.398 1.00 0.58 H new ATOM 0 HB3 LYS A 32 5.012 7.460 -5.208 1.00 0.58 H new ATOM 0 HG2 LYS A 32 5.899 7.815 -7.441 1.00 1.05 H new ATOM 0 HG3 LYS A 32 6.906 6.663 -6.587 1.00 1.05 H new ATOM 0 HD2 LYS A 32 6.519 5.898 -8.883 1.00 1.14 H new ATOM 0 HD3 LYS A 32 5.780 4.786 -7.748 1.00 1.14 H new ATOM 0 HE2 LYS A 32 4.263 5.216 -9.619 1.00 1.31 H new ATOM 0 HE3 LYS A 32 3.572 5.823 -8.128 1.00 1.31 H new ATOM 0 HZ1 LYS A 32 3.364 7.354 -10.037 1.00 1.54 H new ATOM 0 HZ2 LYS A 32 4.175 8.044 -8.714 1.00 1.54 H new ATOM 0 HZ3 LYS A 32 5.053 7.520 -10.069 1.00 1.54 H new ATOM 446 N ASN A 33 6.199 5.580 -3.221 1.00 0.41 N ATOM 447 CA ASN A 33 7.357 5.352 -2.357 1.00 0.44 C ATOM 448 C ASN A 33 7.544 3.866 -2.103 1.00 0.39 C ATOM 449 O ASN A 33 8.587 3.300 -2.397 1.00 0.46 O ATOM 450 CB ASN A 33 7.198 6.079 -1.019 1.00 0.52 C ATOM 451 CG ASN A 33 7.749 7.490 -1.043 1.00 1.19 C ATOM 452 OD1 ASN A 33 8.725 7.781 -1.735 1.00 2.11 O ATOM 453 ND2 ASN A 33 7.132 8.381 -0.281 1.00 1.58 N ATOM 0 H ASN A 33 5.450 6.121 -2.789 1.00 0.41 H new ATOM 0 HA ASN A 33 8.235 5.747 -2.869 1.00 0.44 H new ATOM 0 HB2 ASN A 33 6.141 6.112 -0.753 1.00 0.52 H new ATOM 0 HB3 ASN A 33 7.705 5.510 -0.240 1.00 0.52 H new ATOM 0 HD21 ASN A 33 7.463 9.345 -0.254 1.00 1.58 H new ATOM 0 HD22 ASN A 33 6.326 8.102 0.279 1.00 1.58 H new ATOM 460 N ILE A 34 6.522 3.239 -1.555 1.00 0.36 N ATOM 461 CA ILE A 34 6.546 1.814 -1.289 1.00 0.40 C ATOM 462 C ILE A 34 6.799 0.985 -2.551 1.00 0.48 C ATOM 463 O ILE A 34 7.428 -0.071 -2.494 1.00 0.57 O ATOM 464 CB ILE A 34 5.220 1.407 -0.610 1.00 0.48 C ATOM 465 CG1 ILE A 34 5.203 1.938 0.822 1.00 0.61 C ATOM 466 CG2 ILE A 34 4.984 -0.091 -0.640 1.00 0.65 C ATOM 467 CD1 ILE A 34 6.515 1.754 1.556 1.00 0.58 C ATOM 0 H ILE A 34 5.654 3.701 -1.282 1.00 0.36 H new ATOM 0 HA ILE A 34 7.381 1.605 -0.621 1.00 0.40 H new ATOM 0 HB ILE A 34 4.402 1.852 -1.176 1.00 0.48 H new ATOM 0 HG12 ILE A 34 4.953 2.999 0.804 1.00 0.61 H new ATOM 0 HG13 ILE A 34 4.412 1.434 1.378 1.00 0.61 H new ATOM 0 HG21 ILE A 34 4.038 -0.320 -0.149 1.00 0.65 H new ATOM 0 HG22 ILE A 34 4.948 -0.433 -1.674 1.00 0.65 H new ATOM 0 HG23 ILE A 34 5.796 -0.598 -0.118 1.00 0.65 H new ATOM 0 HD11 ILE A 34 6.426 2.155 2.566 1.00 0.58 H new ATOM 0 HD12 ILE A 34 6.758 0.693 1.607 1.00 0.58 H new ATOM 0 HD13 ILE A 34 7.307 2.282 1.024 1.00 0.58 H new ATOM 479 N LEU A 35 6.344 1.480 -3.683 1.00 0.56 N ATOM 480 CA LEU A 35 6.471 0.748 -4.933 1.00 0.79 C ATOM 481 C LEU A 35 7.848 0.949 -5.573 1.00 0.93 C ATOM 482 O LEU A 35 8.554 -0.020 -5.860 1.00 1.31 O ATOM 483 CB LEU A 35 5.365 1.176 -5.900 1.00 1.04 C ATOM 484 CG LEU A 35 3.943 1.081 -5.342 1.00 1.16 C ATOM 485 CD1 LEU A 35 2.929 1.254 -6.453 1.00 1.36 C ATOM 486 CD2 LEU A 35 3.721 -0.231 -4.599 1.00 1.93 C ATOM 0 H LEU A 35 5.882 2.386 -3.767 1.00 0.56 H new ATOM 0 HA LEU A 35 6.368 -0.314 -4.712 1.00 0.79 H new ATOM 0 HB2 LEU A 35 5.550 2.205 -6.207 1.00 1.04 H new ATOM 0 HB3 LEU A 35 5.429 0.560 -6.797 1.00 1.04 H new ATOM 0 HG LEU A 35 3.809 1.888 -4.622 1.00 1.16 H new ATOM 0 HD11 LEU A 35 1.922 1.184 -6.041 1.00 1.36 H new ATOM 0 HD12 LEU A 35 3.063 2.230 -6.919 1.00 1.36 H new ATOM 0 HD13 LEU A 35 3.071 0.473 -7.200 1.00 1.36 H new ATOM 0 HD21 LEU A 35 2.701 -0.264 -4.216 1.00 1.93 H new ATOM 0 HD22 LEU A 35 3.880 -1.067 -5.281 1.00 1.93 H new ATOM 0 HD23 LEU A 35 4.423 -0.302 -3.768 1.00 1.93 H new ATOM 498 N ASN A 36 8.232 2.202 -5.779 1.00 0.89 N ATOM 499 CA ASN A 36 9.483 2.516 -6.469 1.00 1.06 C ATOM 500 C ASN A 36 10.635 2.641 -5.476 1.00 1.01 C ATOM 501 O ASN A 36 11.701 2.054 -5.669 1.00 1.13 O ATOM 502 CB ASN A 36 9.328 3.821 -7.268 1.00 1.21 C ATOM 503 CG ASN A 36 10.517 4.137 -8.170 1.00 1.58 C ATOM 504 OD1 ASN A 36 11.658 3.777 -7.887 1.00 2.45 O ATOM 505 ND2 ASN A 36 10.254 4.827 -9.270 1.00 1.81 N ATOM 0 H ASN A 36 7.699 3.018 -5.480 1.00 0.89 H new ATOM 0 HA ASN A 36 9.712 1.701 -7.156 1.00 1.06 H new ATOM 0 HB2 ASN A 36 8.428 3.757 -7.879 1.00 1.21 H new ATOM 0 HB3 ASN A 36 9.183 4.647 -6.572 1.00 1.21 H new ATOM 0 HD21 ASN A 36 11.009 5.074 -9.910 1.00 1.81 H new ATOM 0 HD22 ASN A 36 9.297 5.111 -9.477 1.00 1.81 H new ATOM 512 N SER A 37 10.406 3.382 -4.401 1.00 0.90 N ATOM 513 CA SER A 37 11.459 3.699 -3.444 1.00 0.98 C ATOM 514 C SER A 37 11.735 2.535 -2.483 1.00 0.84 C ATOM 515 O SER A 37 12.520 2.675 -1.542 1.00 0.94 O ATOM 516 CB SER A 37 11.083 4.964 -2.669 1.00 1.05 C ATOM 517 OG SER A 37 10.729 6.011 -3.562 1.00 1.55 O ATOM 0 H SER A 37 9.495 3.777 -4.168 1.00 0.90 H new ATOM 0 HA SER A 37 12.380 3.874 -4.000 1.00 0.98 H new ATOM 0 HB2 SER A 37 10.249 4.752 -1.999 1.00 1.05 H new ATOM 0 HB3 SER A 37 11.921 5.278 -2.046 1.00 1.05 H new ATOM 0 HG SER A 37 10.174 6.668 -3.092 1.00 1.55 H new ATOM 523 N SER A 38 11.078 1.396 -2.708 1.00 0.67 N ATOM 524 CA SER A 38 11.456 0.160 -2.034 1.00 0.58 C ATOM 525 C SER A 38 12.915 -0.134 -2.381 1.00 0.67 C ATOM 526 O SER A 38 13.253 -0.320 -3.553 1.00 1.22 O ATOM 527 CB SER A 38 10.549 -0.989 -2.477 1.00 0.54 C ATOM 528 OG SER A 38 10.707 -2.113 -1.634 1.00 1.43 O ATOM 0 H SER A 38 10.288 1.307 -3.347 1.00 0.67 H new ATOM 0 HA SER A 38 11.343 0.265 -0.955 1.00 0.58 H new ATOM 0 HB2 SER A 38 9.509 -0.662 -2.463 1.00 0.54 H new ATOM 0 HB3 SER A 38 10.782 -1.265 -3.505 1.00 0.54 H new ATOM 0 HG SER A 38 11.041 -1.822 -0.760 1.00 1.43 H new ATOM 534 N ARG A 39 13.771 -0.128 -1.366 1.00 0.87 N ATOM 535 CA ARG A 39 15.218 -0.166 -1.568 1.00 1.08 C ATOM 536 C ARG A 39 15.651 -1.371 -2.400 1.00 0.84 C ATOM 537 O ARG A 39 16.422 -1.239 -3.352 1.00 1.22 O ATOM 538 CB ARG A 39 15.927 -0.200 -0.217 1.00 1.40 C ATOM 539 CG ARG A 39 17.366 0.287 -0.261 1.00 1.90 C ATOM 540 CD ARG A 39 17.442 1.776 -0.565 1.00 2.25 C ATOM 541 NE ARG A 39 18.787 2.306 -0.354 1.00 2.89 N ATOM 542 CZ ARG A 39 19.047 3.508 0.157 1.00 3.60 C ATOM 543 NH1 ARG A 39 18.057 4.344 0.453 1.00 3.87 N ATOM 544 NH2 ARG A 39 20.303 3.880 0.352 1.00 4.47 N ATOM 0 H ARG A 39 13.487 -0.097 -0.387 1.00 0.87 H new ATOM 0 HA ARG A 39 15.495 0.734 -2.117 1.00 1.08 H new ATOM 0 HB2 ARG A 39 15.368 0.413 0.490 1.00 1.40 H new ATOM 0 HB3 ARG A 39 15.911 -1.221 0.164 1.00 1.40 H new ATOM 0 HG2 ARG A 39 17.849 0.085 0.695 1.00 1.90 H new ATOM 0 HG3 ARG A 39 17.916 -0.269 -1.020 1.00 1.90 H new ATOM 0 HD2 ARG A 39 17.140 1.952 -1.598 1.00 2.25 H new ATOM 0 HD3 ARG A 39 16.736 2.313 0.069 1.00 2.25 H new ATOM 0 HE ARG A 39 19.578 1.717 -0.615 1.00 2.89 H new ATOM 0 HH11 ARG A 39 17.089 4.067 0.289 1.00 3.87 H new ATOM 0 HH12 ARG A 39 18.265 5.263 0.844 1.00 3.87 H new ATOM 0 HH21 ARG A 39 21.066 3.247 0.111 1.00 4.47 H new ATOM 0 HH22 ARG A 39 20.508 4.800 0.743 1.00 4.47 H new ATOM 558 N THR A 40 15.154 -2.541 -2.039 1.00 0.62 N ATOM 559 CA THR A 40 15.554 -3.777 -2.685 1.00 0.70 C ATOM 560 C THR A 40 14.349 -4.695 -2.851 1.00 0.75 C ATOM 561 O THR A 40 13.231 -4.337 -2.482 1.00 0.61 O ATOM 562 CB THR A 40 16.626 -4.511 -1.850 1.00 0.88 C ATOM 563 OG1 THR A 40 16.102 -4.813 -0.551 1.00 1.59 O ATOM 564 CG2 THR A 40 17.891 -3.675 -1.705 1.00 1.25 C ATOM 0 H THR A 40 14.467 -2.660 -1.295 1.00 0.62 H new ATOM 0 HA THR A 40 15.968 -3.526 -3.661 1.00 0.70 H new ATOM 0 HB THR A 40 16.886 -5.432 -2.372 1.00 0.88 H new ATOM 0 HG1 THR A 40 16.825 -5.133 0.027 1.00 1.59 H new ATOM 0 HG21 THR A 40 18.623 -4.223 -1.112 1.00 1.25 H new ATOM 0 HG22 THR A 40 18.305 -3.468 -2.692 1.00 1.25 H new ATOM 0 HG23 THR A 40 17.651 -2.735 -1.208 1.00 1.25 H new ATOM 572 N THR A 41 14.571 -5.878 -3.395 1.00 1.03 N ATOM 573 CA THR A 41 13.539 -6.898 -3.426 1.00 1.16 C ATOM 574 C THR A 41 13.275 -7.398 -2.010 1.00 1.04 C ATOM 575 O THR A 41 12.138 -7.695 -1.641 1.00 0.97 O ATOM 576 CB THR A 41 13.954 -8.075 -4.314 1.00 1.58 C ATOM 577 OG1 THR A 41 14.306 -7.599 -5.619 1.00 1.79 O ATOM 578 CG2 THR A 41 12.837 -9.105 -4.425 1.00 1.73 C ATOM 0 H THR A 41 15.455 -6.156 -3.821 1.00 1.03 H new ATOM 0 HA THR A 41 12.633 -6.457 -3.841 1.00 1.16 H new ATOM 0 HB THR A 41 14.817 -8.558 -3.855 1.00 1.58 H new ATOM 0 HG1 THR A 41 14.572 -8.355 -6.182 1.00 1.79 H new ATOM 0 HG21 THR A 41 13.163 -9.928 -5.062 1.00 1.73 H new ATOM 0 HG22 THR A 41 12.595 -9.487 -3.433 1.00 1.73 H new ATOM 0 HG23 THR A 41 11.953 -8.638 -4.859 1.00 1.73 H new ATOM 586 N ALA A 42 14.337 -7.466 -1.215 1.00 1.12 N ATOM 587 CA ALA A 42 14.225 -7.821 0.192 1.00 1.18 C ATOM 588 C ALA A 42 13.463 -6.742 0.945 1.00 0.98 C ATOM 589 O ALA A 42 12.953 -6.971 2.044 1.00 1.13 O ATOM 590 CB ALA A 42 15.603 -8.022 0.801 1.00 1.41 C ATOM 0 H ALA A 42 15.290 -7.278 -1.525 1.00 1.12 H new ATOM 0 HA ALA A 42 13.674 -8.758 0.273 1.00 1.18 H new ATOM 0 HB1 ALA A 42 15.501 -8.287 1.853 1.00 1.41 H new ATOM 0 HB2 ALA A 42 16.120 -8.823 0.274 1.00 1.41 H new ATOM 0 HB3 ALA A 42 16.178 -7.100 0.713 1.00 1.41 H new ATOM 596 N ASP A 43 13.379 -5.565 0.334 1.00 0.74 N ATOM 597 CA ASP A 43 12.639 -4.455 0.899 1.00 0.67 C ATOM 598 C ASP A 43 11.190 -4.557 0.460 1.00 0.64 C ATOM 599 O ASP A 43 10.269 -4.312 1.235 1.00 0.93 O ATOM 600 CB ASP A 43 13.236 -3.135 0.409 1.00 0.63 C ATOM 601 CG ASP A 43 12.875 -1.942 1.272 1.00 1.00 C ATOM 602 OD1 ASP A 43 11.776 -1.377 1.094 1.00 1.72 O ATOM 603 OD2 ASP A 43 13.711 -1.547 2.115 1.00 1.18 O ATOM 0 H ASP A 43 13.821 -5.360 -0.562 1.00 0.74 H new ATOM 0 HA ASP A 43 12.697 -4.487 1.987 1.00 0.67 H new ATOM 0 HB2 ASP A 43 14.321 -3.230 0.372 1.00 0.63 H new ATOM 0 HB3 ASP A 43 12.897 -2.950 -0.610 1.00 0.63 H new ATOM 608 N ARG A 44 11.006 -4.965 -0.791 1.00 0.54 N ATOM 609 CA ARG A 44 9.685 -5.036 -1.394 1.00 0.61 C ATOM 610 C ARG A 44 8.921 -6.282 -0.933 1.00 0.67 C ATOM 611 O ARG A 44 7.700 -6.256 -0.803 1.00 0.93 O ATOM 612 CB ARG A 44 9.796 -4.993 -2.921 1.00 0.76 C ATOM 613 CG ARG A 44 8.455 -4.874 -3.630 1.00 1.39 C ATOM 614 CD ARG A 44 8.630 -4.631 -5.121 1.00 1.53 C ATOM 615 NE ARG A 44 9.142 -3.290 -5.407 1.00 1.70 N ATOM 616 CZ ARG A 44 10.204 -3.040 -6.174 1.00 2.01 C ATOM 617 NH1 ARG A 44 10.919 -4.039 -6.672 1.00 2.34 N ATOM 618 NH2 ARG A 44 10.550 -1.787 -6.438 1.00 2.70 N ATOM 0 H ARG A 44 11.764 -5.253 -1.410 1.00 0.54 H new ATOM 0 HA ARG A 44 9.116 -4.168 -1.062 1.00 0.61 H new ATOM 0 HB2 ARG A 44 10.424 -4.149 -3.207 1.00 0.76 H new ATOM 0 HB3 ARG A 44 10.300 -5.896 -3.265 1.00 0.76 H new ATOM 0 HG2 ARG A 44 7.878 -5.786 -3.475 1.00 1.39 H new ATOM 0 HG3 ARG A 44 7.883 -4.056 -3.192 1.00 1.39 H new ATOM 0 HD2 ARG A 44 9.314 -5.374 -5.530 1.00 1.53 H new ATOM 0 HD3 ARG A 44 7.673 -4.767 -5.624 1.00 1.53 H new ATOM 0 HE ARG A 44 8.655 -2.495 -4.993 1.00 1.70 H new ATOM 0 HH11 ARG A 44 10.658 -5.004 -6.469 1.00 2.34 H new ATOM 0 HH12 ARG A 44 11.730 -3.843 -7.258 1.00 2.34 H new ATOM 0 HH21 ARG A 44 10.004 -1.016 -6.054 1.00 2.70 H new ATOM 0 HH22 ARG A 44 11.362 -1.595 -7.025 1.00 2.70 H new ATOM 632 N ARG A 45 9.628 -7.372 -0.676 1.00 0.66 N ATOM 633 CA ARG A 45 8.970 -8.560 -0.145 1.00 0.72 C ATOM 634 C ARG A 45 8.613 -8.325 1.321 1.00 0.76 C ATOM 635 O ARG A 45 7.607 -8.829 1.828 1.00 1.28 O ATOM 636 CB ARG A 45 9.839 -9.820 -0.309 1.00 0.88 C ATOM 637 CG ARG A 45 11.082 -9.859 0.565 1.00 1.16 C ATOM 638 CD ARG A 45 11.759 -11.222 0.507 1.00 1.34 C ATOM 639 NE ARG A 45 12.436 -11.458 -0.772 1.00 1.99 N ATOM 640 CZ ARG A 45 12.560 -12.655 -1.347 1.00 2.61 C ATOM 641 NH1 ARG A 45 11.997 -13.725 -0.796 1.00 2.84 N ATOM 642 NH2 ARG A 45 13.244 -12.784 -2.479 1.00 3.54 N ATOM 0 H ARG A 45 10.634 -7.461 -0.821 1.00 0.66 H new ATOM 0 HA ARG A 45 8.058 -8.735 -0.716 1.00 0.72 H new ATOM 0 HB2 ARG A 45 9.229 -10.696 -0.087 1.00 0.88 H new ATOM 0 HB3 ARG A 45 10.144 -9.900 -1.352 1.00 0.88 H new ATOM 0 HG2 ARG A 45 11.782 -9.089 0.240 1.00 1.16 H new ATOM 0 HG3 ARG A 45 10.812 -9.629 1.596 1.00 1.16 H new ATOM 0 HD2 ARG A 45 12.484 -11.299 1.318 1.00 1.34 H new ATOM 0 HD3 ARG A 45 11.014 -12.001 0.670 1.00 1.34 H new ATOM 0 HE ARG A 45 12.839 -10.654 -1.254 1.00 1.99 H new ATOM 0 HH11 ARG A 45 11.467 -13.633 0.071 1.00 2.84 H new ATOM 0 HH12 ARG A 45 12.095 -14.638 -1.240 1.00 2.84 H new ATOM 0 HH21 ARG A 45 13.676 -11.967 -2.910 1.00 3.54 H new ATOM 0 HH22 ARG A 45 13.337 -13.701 -2.917 1.00 3.54 H new ATOM 656 N ALA A 46 9.423 -7.520 1.991 1.00 0.51 N ATOM 657 CA ALA A 46 9.152 -7.147 3.365 1.00 0.53 C ATOM 658 C ALA A 46 8.011 -6.141 3.420 1.00 0.44 C ATOM 659 O ALA A 46 7.111 -6.249 4.254 1.00 0.53 O ATOM 660 CB ALA A 46 10.397 -6.576 4.022 1.00 0.64 C ATOM 0 H ALA A 46 10.274 -7.113 1.602 1.00 0.51 H new ATOM 0 HA ALA A 46 8.857 -8.041 3.915 1.00 0.53 H new ATOM 0 HB1 ALA A 46 10.172 -6.302 5.053 1.00 0.64 H new ATOM 0 HB2 ALA A 46 11.190 -7.324 4.010 1.00 0.64 H new ATOM 0 HB3 ALA A 46 10.724 -5.692 3.475 1.00 0.64 H new ATOM 666 N VAL A 47 8.042 -5.173 2.512 1.00 0.35 N ATOM 667 CA VAL A 47 7.025 -4.133 2.467 1.00 0.38 C ATOM 668 C VAL A 47 5.653 -4.740 2.186 1.00 0.42 C ATOM 669 O VAL A 47 4.648 -4.298 2.736 1.00 0.50 O ATOM 670 CB VAL A 47 7.362 -3.038 1.418 1.00 0.45 C ATOM 671 CG1 VAL A 47 7.058 -3.483 0.001 1.00 0.50 C ATOM 672 CG2 VAL A 47 6.616 -1.765 1.721 1.00 0.70 C ATOM 0 H VAL A 47 8.763 -5.088 1.796 1.00 0.35 H new ATOM 0 HA VAL A 47 7.005 -3.652 3.445 1.00 0.38 H new ATOM 0 HB VAL A 47 8.435 -2.858 1.486 1.00 0.45 H new ATOM 0 HG11 VAL A 47 7.311 -2.682 -0.694 1.00 0.50 H new ATOM 0 HG12 VAL A 47 7.647 -4.369 -0.236 1.00 0.50 H new ATOM 0 HG13 VAL A 47 5.997 -3.718 -0.087 1.00 0.50 H new ATOM 0 HG21 VAL A 47 6.866 -1.011 0.975 1.00 0.70 H new ATOM 0 HG22 VAL A 47 5.543 -1.957 1.698 1.00 0.70 H new ATOM 0 HG23 VAL A 47 6.898 -1.404 2.710 1.00 0.70 H new ATOM 682 N CYS A 48 5.627 -5.781 1.362 1.00 0.44 N ATOM 683 CA CYS A 48 4.389 -6.471 1.034 1.00 0.56 C ATOM 684 C CYS A 48 3.864 -7.217 2.262 1.00 0.59 C ATOM 685 O CYS A 48 2.658 -7.319 2.480 1.00 0.68 O ATOM 686 CB CYS A 48 4.630 -7.440 -0.134 1.00 0.68 C ATOM 687 SG CYS A 48 3.122 -8.156 -0.878 1.00 1.78 S ATOM 0 H CYS A 48 6.455 -6.166 0.908 1.00 0.44 H new ATOM 0 HA CYS A 48 3.637 -5.742 0.731 1.00 0.56 H new ATOM 0 HB2 CYS A 48 5.185 -6.915 -0.912 1.00 0.68 H new ATOM 0 HB3 CYS A 48 5.265 -8.254 0.216 1.00 0.68 H new ATOM 692 N SER A 49 4.785 -7.708 3.085 1.00 0.59 N ATOM 693 CA SER A 49 4.423 -8.442 4.288 1.00 0.73 C ATOM 694 C SER A 49 3.832 -7.504 5.345 1.00 0.73 C ATOM 695 O SER A 49 2.883 -7.860 6.044 1.00 0.96 O ATOM 696 CB SER A 49 5.646 -9.172 4.841 1.00 0.84 C ATOM 697 OG SER A 49 6.160 -10.094 3.887 1.00 1.41 O ATOM 0 H SER A 49 5.790 -7.609 2.938 1.00 0.59 H new ATOM 0 HA SER A 49 3.660 -9.177 4.029 1.00 0.73 H new ATOM 0 HB2 SER A 49 6.417 -8.449 5.106 1.00 0.84 H new ATOM 0 HB3 SER A 49 5.377 -9.701 5.755 1.00 0.84 H new ATOM 0 HG SER A 49 6.665 -9.608 3.202 1.00 1.41 H new ATOM 703 N CYS A 50 4.391 -6.305 5.455 1.00 0.57 N ATOM 704 CA CYS A 50 3.844 -5.296 6.356 1.00 0.60 C ATOM 705 C CYS A 50 2.545 -4.743 5.793 1.00 0.55 C ATOM 706 O CYS A 50 1.627 -4.406 6.536 1.00 0.59 O ATOM 707 CB CYS A 50 4.840 -4.159 6.573 1.00 0.63 C ATOM 708 SG CYS A 50 4.154 -2.712 7.451 1.00 1.11 S ATOM 0 H CYS A 50 5.217 -6.008 4.936 1.00 0.57 H new ATOM 0 HA CYS A 50 3.648 -5.770 7.318 1.00 0.60 H new ATOM 0 HB2 CYS A 50 5.691 -4.541 7.137 1.00 0.63 H new ATOM 0 HB3 CYS A 50 5.219 -3.834 5.604 1.00 0.63 H new ATOM 713 N LEU A 51 2.481 -4.679 4.464 1.00 0.51 N ATOM 714 CA LEU A 51 1.300 -4.197 3.756 1.00 0.55 C ATOM 715 C LEU A 51 0.054 -4.948 4.223 1.00 0.63 C ATOM 716 O LEU A 51 -1.029 -4.373 4.320 1.00 0.63 O ATOM 717 CB LEU A 51 1.493 -4.384 2.247 1.00 0.66 C ATOM 718 CG LEU A 51 0.488 -3.653 1.361 1.00 0.77 C ATOM 719 CD1 LEU A 51 0.788 -2.164 1.324 1.00 1.33 C ATOM 720 CD2 LEU A 51 0.489 -4.240 -0.041 1.00 1.33 C ATOM 0 H LEU A 51 3.246 -4.960 3.850 1.00 0.51 H new ATOM 0 HA LEU A 51 1.165 -3.137 3.973 1.00 0.55 H new ATOM 0 HB2 LEU A 51 2.496 -4.049 1.982 1.00 0.66 H new ATOM 0 HB3 LEU A 51 1.443 -5.449 2.021 1.00 0.66 H new ATOM 0 HG LEU A 51 -0.507 -3.786 1.786 1.00 0.77 H new ATOM 0 HD11 LEU A 51 0.060 -1.662 0.687 1.00 1.33 H new ATOM 0 HD12 LEU A 51 0.730 -1.756 2.333 1.00 1.33 H new ATOM 0 HD13 LEU A 51 1.790 -2.004 0.925 1.00 1.33 H new ATOM 0 HD21 LEU A 51 -0.233 -3.707 -0.659 1.00 1.33 H new ATOM 0 HD22 LEU A 51 1.483 -4.140 -0.477 1.00 1.33 H new ATOM 0 HD23 LEU A 51 0.218 -5.295 0.006 1.00 1.33 H new ATOM 732 N LYS A 52 0.230 -6.231 4.534 1.00 0.80 N ATOM 733 CA LYS A 52 -0.850 -7.064 5.056 1.00 0.99 C ATOM 734 C LYS A 52 -1.437 -6.459 6.326 1.00 0.92 C ATOM 735 O LYS A 52 -2.645 -6.246 6.427 1.00 1.02 O ATOM 736 CB LYS A 52 -0.333 -8.472 5.369 1.00 1.32 C ATOM 737 CG LYS A 52 0.268 -9.200 4.179 1.00 1.40 C ATOM 738 CD LYS A 52 -0.776 -9.506 3.117 1.00 1.78 C ATOM 739 CE LYS A 52 -0.208 -10.391 2.021 1.00 1.79 C ATOM 740 NZ LYS A 52 0.155 -11.740 2.528 1.00 2.30 N ATOM 0 H LYS A 52 1.120 -6.719 4.432 1.00 0.80 H new ATOM 0 HA LYS A 52 -1.626 -7.118 4.293 1.00 0.99 H new ATOM 0 HB2 LYS A 52 0.419 -8.403 6.155 1.00 1.32 H new ATOM 0 HB3 LYS A 52 -1.155 -9.068 5.766 1.00 1.32 H new ATOM 0 HG2 LYS A 52 1.061 -8.592 3.744 1.00 1.40 H new ATOM 0 HG3 LYS A 52 0.727 -10.130 4.516 1.00 1.40 H new ATOM 0 HD2 LYS A 52 -1.632 -9.999 3.578 1.00 1.78 H new ATOM 0 HD3 LYS A 52 -1.140 -8.575 2.683 1.00 1.78 H new ATOM 0 HE2 LYS A 52 -0.940 -10.490 1.219 1.00 1.79 H new ATOM 0 HE3 LYS A 52 0.674 -9.916 1.591 1.00 1.79 H new ATOM 0 HZ1 LYS A 52 0.129 -12.424 1.745 1.00 2.30 H new ATOM 0 HZ2 LYS A 52 1.113 -11.713 2.932 1.00 2.30 H new ATOM 0 HZ3 LYS A 52 -0.523 -12.029 3.262 1.00 2.30 H new ATOM 754 N ALA A 53 -0.570 -6.168 7.287 1.00 0.88 N ATOM 755 CA ALA A 53 -1.003 -5.657 8.577 1.00 0.95 C ATOM 756 C ALA A 53 -1.385 -4.188 8.488 1.00 0.91 C ATOM 757 O ALA A 53 -2.149 -3.695 9.310 1.00 1.10 O ATOM 758 CB ALA A 53 0.084 -5.850 9.618 1.00 1.06 C ATOM 0 H ALA A 53 0.440 -6.278 7.195 1.00 0.88 H new ATOM 0 HA ALA A 53 -1.886 -6.221 8.878 1.00 0.95 H new ATOM 0 HB1 ALA A 53 -0.258 -5.462 10.577 1.00 1.06 H new ATOM 0 HB2 ALA A 53 0.310 -6.912 9.716 1.00 1.06 H new ATOM 0 HB3 ALA A 53 0.982 -5.315 9.309 1.00 1.06 H new ATOM 764 N ALA A 54 -0.842 -3.497 7.495 1.00 0.79 N ATOM 765 CA ALA A 54 -1.147 -2.091 7.283 1.00 0.87 C ATOM 766 C ALA A 54 -2.532 -1.928 6.666 1.00 0.94 C ATOM 767 O ALA A 54 -3.353 -1.157 7.156 1.00 1.16 O ATOM 768 CB ALA A 54 -0.089 -1.449 6.402 1.00 0.89 C ATOM 0 H ALA A 54 -0.185 -3.891 6.821 1.00 0.79 H new ATOM 0 HA ALA A 54 -1.145 -1.587 8.250 1.00 0.87 H new ATOM 0 HB1 ALA A 54 -0.330 -0.397 6.252 1.00 0.89 H new ATOM 0 HB2 ALA A 54 0.885 -1.533 6.884 1.00 0.89 H new ATOM 0 HB3 ALA A 54 -0.062 -1.956 5.438 1.00 0.89 H new ATOM 774 N ALA A 55 -2.791 -2.678 5.600 1.00 0.88 N ATOM 775 CA ALA A 55 -4.100 -2.665 4.957 1.00 0.97 C ATOM 776 C ALA A 55 -5.129 -3.337 5.856 1.00 0.96 C ATOM 777 O ALA A 55 -6.325 -3.092 5.742 1.00 1.07 O ATOM 778 CB ALA A 55 -4.039 -3.362 3.605 1.00 1.11 C ATOM 0 H ALA A 55 -2.112 -3.302 5.163 1.00 0.88 H new ATOM 0 HA ALA A 55 -4.399 -1.629 4.794 1.00 0.97 H new ATOM 0 HB1 ALA A 55 -5.025 -3.342 3.141 1.00 1.11 H new ATOM 0 HB2 ALA A 55 -3.325 -2.847 2.962 1.00 1.11 H new ATOM 0 HB3 ALA A 55 -3.724 -4.396 3.743 1.00 1.11 H new ATOM 784 N GLY A 56 -4.648 -4.188 6.754 1.00 0.96 N ATOM 785 CA GLY A 56 -5.519 -4.844 7.702 1.00 1.05 C ATOM 786 C GLY A 56 -5.553 -4.136 9.040 1.00 0.99 C ATOM 787 O GLY A 56 -6.109 -4.653 10.005 1.00 1.08 O ATOM 0 H GLY A 56 -3.662 -4.435 6.840 1.00 0.96 H new ATOM 0 HA2 GLY A 56 -6.528 -4.890 7.293 1.00 1.05 H new ATOM 0 HA3 GLY A 56 -5.186 -5.872 7.846 1.00 1.05 H new ATOM 791 N ALA A 57 -4.951 -2.952 9.104 1.00 0.98 N ATOM 792 CA ALA A 57 -4.953 -2.157 10.331 1.00 1.11 C ATOM 793 C ALA A 57 -6.147 -1.217 10.341 1.00 1.10 C ATOM 794 O ALA A 57 -6.408 -0.523 11.324 1.00 1.53 O ATOM 795 CB ALA A 57 -3.665 -1.357 10.460 1.00 1.34 C ATOM 0 H ALA A 57 -4.456 -2.521 8.323 1.00 0.98 H new ATOM 0 HA ALA A 57 -5.023 -2.838 11.179 1.00 1.11 H new ATOM 0 HB1 ALA A 57 -3.690 -0.774 11.380 1.00 1.34 H new ATOM 0 HB2 ALA A 57 -2.814 -2.038 10.485 1.00 1.34 H new ATOM 0 HB3 ALA A 57 -3.567 -0.685 9.607 1.00 1.34 H new ATOM 801 N VAL A 58 -6.861 -1.216 9.229 1.00 0.89 N ATOM 802 CA VAL A 58 -7.987 -0.323 9.017 1.00 1.10 C ATOM 803 C VAL A 58 -9.176 -0.684 9.922 1.00 1.08 C ATOM 804 O VAL A 58 -9.930 -1.620 9.655 1.00 1.78 O ATOM 805 CB VAL A 58 -8.389 -0.325 7.523 1.00 1.50 C ATOM 806 CG1 VAL A 58 -7.237 0.205 6.674 1.00 1.74 C ATOM 807 CG2 VAL A 58 -8.783 -1.717 7.048 1.00 2.36 C ATOM 0 H VAL A 58 -6.675 -1.839 8.443 1.00 0.89 H new ATOM 0 HA VAL A 58 -7.681 0.687 9.291 1.00 1.10 H new ATOM 0 HB VAL A 58 -9.257 0.325 7.411 1.00 1.50 H new ATOM 0 HG11 VAL A 58 -7.527 0.201 5.623 1.00 1.74 H new ATOM 0 HG12 VAL A 58 -6.998 1.223 6.980 1.00 1.74 H new ATOM 0 HG13 VAL A 58 -6.362 -0.430 6.811 1.00 1.74 H new ATOM 0 HG21 VAL A 58 -9.059 -1.677 5.994 1.00 2.36 H new ATOM 0 HG22 VAL A 58 -7.941 -2.397 7.178 1.00 2.36 H new ATOM 0 HG23 VAL A 58 -9.631 -2.074 7.632 1.00 2.36 H new ATOM 817 N ARG A 59 -9.309 0.040 11.028 1.00 0.92 N ATOM 818 CA ARG A 59 -10.423 -0.148 11.941 1.00 1.16 C ATOM 819 C ARG A 59 -11.368 1.043 11.844 1.00 1.18 C ATOM 820 O ARG A 59 -11.098 2.111 12.395 1.00 1.83 O ATOM 821 CB ARG A 59 -9.903 -0.304 13.364 1.00 1.63 C ATOM 822 CG ARG A 59 -10.988 -0.500 14.403 1.00 2.16 C ATOM 823 CD ARG A 59 -10.400 -0.452 15.796 1.00 2.64 C ATOM 824 NE ARG A 59 -9.461 -1.545 16.034 1.00 3.01 N ATOM 825 CZ ARG A 59 -8.675 -1.633 17.103 1.00 3.85 C ATOM 826 NH1 ARG A 59 -8.709 -0.691 18.042 1.00 4.30 N ATOM 827 NH2 ARG A 59 -7.850 -2.662 17.220 1.00 4.65 N ATOM 0 H ARG A 59 -8.652 0.767 11.312 1.00 0.92 H new ATOM 0 HA ARG A 59 -10.969 -1.052 11.670 1.00 1.16 H new ATOM 0 HB2 ARG A 59 -9.223 -1.156 13.399 1.00 1.63 H new ATOM 0 HB3 ARG A 59 -9.321 0.580 13.625 1.00 1.63 H new ATOM 0 HG2 ARG A 59 -11.748 0.274 14.295 1.00 2.16 H new ATOM 0 HG3 ARG A 59 -11.484 -1.457 14.244 1.00 2.16 H new ATOM 0 HD2 ARG A 59 -9.891 0.501 15.941 1.00 2.64 H new ATOM 0 HD3 ARG A 59 -11.204 -0.499 16.530 1.00 2.64 H new ATOM 0 HE ARG A 59 -9.405 -2.287 15.337 1.00 3.01 H new ATOM 0 HH11 ARG A 59 -9.340 0.104 17.944 1.00 4.30 H new ATOM 0 HH12 ARG A 59 -8.104 -0.764 18.860 1.00 4.30 H new ATOM 0 HH21 ARG A 59 -7.821 -3.378 16.494 1.00 4.65 H new ATOM 0 HH22 ARG A 59 -7.243 -2.739 18.036 1.00 4.65 H new ATOM 841 N GLY A 60 -12.457 0.859 11.118 1.00 1.26 N ATOM 842 CA GLY A 60 -13.328 1.969 10.780 1.00 1.50 C ATOM 843 C GLY A 60 -13.001 2.471 9.398 1.00 1.68 C ATOM 844 O GLY A 60 -13.839 3.039 8.702 1.00 2.01 O ATOM 0 H GLY A 60 -12.758 -0.045 10.753 1.00 1.26 H new ATOM 0 HA2 GLY A 60 -14.370 1.652 10.825 1.00 1.50 H new ATOM 0 HA3 GLY A 60 -13.207 2.772 11.507 1.00 1.50 H new ATOM 848 N ILE A 61 -11.758 2.246 9.015 1.00 1.67 N ATOM 849 CA ILE A 61 -11.277 2.588 7.696 1.00 1.93 C ATOM 850 C ILE A 61 -11.714 1.512 6.709 1.00 1.67 C ATOM 851 O ILE A 61 -11.823 0.337 7.067 1.00 2.21 O ATOM 852 CB ILE A 61 -9.732 2.742 7.678 1.00 2.53 C ATOM 853 CG1 ILE A 61 -9.282 4.024 8.389 1.00 3.45 C ATOM 854 CG2 ILE A 61 -9.200 2.735 6.258 1.00 2.78 C ATOM 855 CD1 ILE A 61 -9.520 4.027 9.881 1.00 3.54 C ATOM 0 H ILE A 61 -11.053 1.819 9.615 1.00 1.67 H new ATOM 0 HA ILE A 61 -11.704 3.548 7.407 1.00 1.93 H new ATOM 0 HB ILE A 61 -9.323 1.887 8.216 1.00 2.53 H new ATOM 0 HG12 ILE A 61 -8.219 4.174 8.203 1.00 3.45 H new ATOM 0 HG13 ILE A 61 -9.806 4.872 7.948 1.00 3.45 H new ATOM 0 HG21 ILE A 61 -8.116 2.844 6.275 1.00 2.78 H new ATOM 0 HG22 ILE A 61 -9.462 1.793 5.776 1.00 2.78 H new ATOM 0 HG23 ILE A 61 -9.639 3.562 5.701 1.00 2.78 H new ATOM 0 HD11 ILE A 61 -9.173 4.970 10.303 1.00 3.54 H new ATOM 0 HD12 ILE A 61 -10.585 3.911 10.080 1.00 3.54 H new ATOM 0 HD13 ILE A 61 -8.974 3.202 10.338 1.00 3.54 H new ATOM 867 N ASN A 62 -11.968 1.918 5.480 1.00 1.52 N ATOM 868 CA ASN A 62 -12.453 1.007 4.454 1.00 1.54 C ATOM 869 C ASN A 62 -11.299 0.479 3.622 1.00 1.47 C ATOM 870 O ASN A 62 -10.618 1.237 2.930 1.00 1.53 O ATOM 871 CB ASN A 62 -13.467 1.689 3.530 1.00 1.94 C ATOM 872 CG ASN A 62 -14.695 2.188 4.265 1.00 2.79 C ATOM 873 OD1 ASN A 62 -15.644 1.436 4.488 1.00 3.22 O ATOM 874 ND2 ASN A 62 -14.695 3.462 4.624 1.00 3.41 N ATOM 0 H ASN A 62 -11.846 2.880 5.163 1.00 1.52 H new ATOM 0 HA ASN A 62 -12.947 0.180 4.964 1.00 1.54 H new ATOM 0 HB2 ASN A 62 -12.985 2.528 3.027 1.00 1.94 H new ATOM 0 HB3 ASN A 62 -13.774 0.987 2.755 1.00 1.94 H new ATOM 0 HD21 ASN A 62 -15.503 3.856 5.105 1.00 3.41 H new ATOM 0 HD22 ASN A 62 -13.887 4.050 4.419 1.00 3.41 H new ATOM 881 N PRO A 63 -11.067 -0.837 3.661 1.00 1.67 N ATOM 882 CA PRO A 63 -10.027 -1.467 2.875 1.00 1.87 C ATOM 883 C PRO A 63 -10.478 -1.682 1.436 1.00 1.64 C ATOM 884 O PRO A 63 -9.681 -2.032 0.564 1.00 1.59 O ATOM 885 CB PRO A 63 -9.769 -2.797 3.587 1.00 2.43 C ATOM 886 CG PRO A 63 -10.887 -2.991 4.567 1.00 2.38 C ATOM 887 CD PRO A 63 -11.813 -1.808 4.466 1.00 2.01 C ATOM 0 HA PRO A 63 -9.127 -0.855 2.808 1.00 1.87 H new ATOM 0 HB2 PRO A 63 -9.736 -3.618 2.871 1.00 2.43 H new ATOM 0 HB3 PRO A 63 -8.806 -2.781 4.098 1.00 2.43 H new ATOM 0 HG2 PRO A 63 -11.425 -3.914 4.352 1.00 2.38 H new ATOM 0 HG3 PRO A 63 -10.494 -3.080 5.580 1.00 2.38 H new ATOM 0 HD2 PRO A 63 -12.756 -2.079 3.991 1.00 2.01 H new ATOM 0 HD3 PRO A 63 -12.056 -1.407 5.450 1.00 2.01 H new ATOM 895 N ASN A 64 -11.764 -1.445 1.194 1.00 1.59 N ATOM 896 CA ASN A 64 -12.315 -1.477 -0.156 1.00 1.51 C ATOM 897 C ASN A 64 -11.809 -0.267 -0.940 1.00 1.16 C ATOM 898 O ASN A 64 -11.781 -0.264 -2.169 1.00 1.11 O ATOM 899 CB ASN A 64 -13.845 -1.459 -0.101 1.00 1.72 C ATOM 900 CG ASN A 64 -14.493 -1.693 -1.456 1.00 2.37 C ATOM 901 OD1 ASN A 64 -15.480 -1.043 -1.799 1.00 3.10 O ATOM 902 ND2 ASN A 64 -13.969 -2.645 -2.215 1.00 2.83 N ATOM 0 H ASN A 64 -12.447 -1.228 1.920 1.00 1.59 H new ATOM 0 HA ASN A 64 -11.993 -2.392 -0.653 1.00 1.51 H new ATOM 0 HB2 ASN A 64 -14.187 -2.225 0.596 1.00 1.72 H new ATOM 0 HB3 ASN A 64 -14.177 -0.499 0.293 1.00 1.72 H new ATOM 0 HD21 ASN A 64 -14.385 -2.862 -3.121 1.00 2.83 H new ATOM 0 HD22 ASN A 64 -13.150 -3.161 -1.893 1.00 2.83 H new ATOM 909 N ASN A 65 -11.404 0.762 -0.206 1.00 0.99 N ATOM 910 CA ASN A 65 -10.822 1.952 -0.801 1.00 0.74 C ATOM 911 C ASN A 65 -9.332 1.732 -1.031 1.00 0.69 C ATOM 912 O ASN A 65 -8.725 2.356 -1.897 1.00 0.60 O ATOM 913 CB ASN A 65 -11.044 3.161 0.106 1.00 0.74 C ATOM 914 CG ASN A 65 -12.514 3.491 0.322 1.00 0.95 C ATOM 915 OD1 ASN A 65 -13.380 2.618 0.261 1.00 1.34 O ATOM 916 ND2 ASN A 65 -12.807 4.753 0.586 1.00 1.13 N ATOM 0 H ASN A 65 -11.470 0.793 0.811 1.00 0.99 H new ATOM 0 HA ASN A 65 -11.307 2.146 -1.758 1.00 0.74 H new ATOM 0 HB2 ASN A 65 -10.576 2.972 1.072 1.00 0.74 H new ATOM 0 HB3 ASN A 65 -10.544 4.028 -0.327 1.00 0.74 H new ATOM 0 HD21 ASN A 65 -13.776 5.029 0.747 1.00 1.13 H new ATOM 0 HD22 ASN A 65 -12.064 5.451 0.629 1.00 1.13 H new ATOM 923 N ALA A 66 -8.751 0.823 -0.254 1.00 0.93 N ATOM 924 CA ALA A 66 -7.332 0.504 -0.370 1.00 1.07 C ATOM 925 C ALA A 66 -7.046 -0.220 -1.678 1.00 1.02 C ATOM 926 O ALA A 66 -6.023 0.002 -2.315 1.00 1.05 O ATOM 927 CB ALA A 66 -6.875 -0.331 0.816 1.00 1.43 C ATOM 0 H ALA A 66 -9.243 0.293 0.465 1.00 0.93 H new ATOM 0 HA ALA A 66 -6.771 1.438 -0.370 1.00 1.07 H new ATOM 0 HB1 ALA A 66 -5.814 -0.560 0.713 1.00 1.43 H new ATOM 0 HB2 ALA A 66 -7.038 0.227 1.738 1.00 1.43 H new ATOM 0 HB3 ALA A 66 -7.445 -1.260 0.848 1.00 1.43 H new ATOM 933 N GLU A 67 -7.971 -1.075 -2.086 1.00 1.07 N ATOM 934 CA GLU A 67 -7.839 -1.801 -3.342 1.00 1.12 C ATOM 935 C GLU A 67 -8.158 -0.891 -4.527 1.00 0.94 C ATOM 936 O GLU A 67 -7.947 -1.256 -5.685 1.00 1.00 O ATOM 937 CB GLU A 67 -8.758 -3.020 -3.339 1.00 1.50 C ATOM 938 CG GLU A 67 -10.206 -2.679 -3.049 1.00 1.80 C ATOM 939 CD GLU A 67 -11.104 -3.892 -3.020 1.00 2.05 C ATOM 940 OE1 GLU A 67 -11.478 -4.390 -4.103 1.00 2.41 O ATOM 941 OE2 GLU A 67 -11.429 -4.362 -1.909 1.00 2.41 O ATOM 0 H GLU A 67 -8.823 -1.284 -1.566 1.00 1.07 H new ATOM 0 HA GLU A 67 -6.808 -2.139 -3.443 1.00 1.12 H new ATOM 0 HB2 GLU A 67 -8.696 -3.516 -4.308 1.00 1.50 H new ATOM 0 HB3 GLU A 67 -8.403 -3.732 -2.594 1.00 1.50 H new ATOM 0 HG2 GLU A 67 -10.267 -2.166 -2.089 1.00 1.80 H new ATOM 0 HG3 GLU A 67 -10.568 -1.984 -3.806 1.00 1.80 H new ATOM 948 N ALA A 68 -8.670 0.296 -4.223 1.00 0.86 N ATOM 949 CA ALA A 68 -8.964 1.303 -5.236 1.00 0.92 C ATOM 950 C ALA A 68 -7.768 2.233 -5.407 1.00 0.89 C ATOM 951 O ALA A 68 -7.601 2.876 -6.444 1.00 1.14 O ATOM 952 CB ALA A 68 -10.204 2.094 -4.831 1.00 1.00 C ATOM 0 H ALA A 68 -8.892 0.587 -3.271 1.00 0.86 H new ATOM 0 HA ALA A 68 -9.159 0.811 -6.189 1.00 0.92 H new ATOM 0 HB1 ALA A 68 -10.420 2.845 -5.590 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -11.053 1.417 -4.738 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -10.026 2.586 -3.875 1.00 1.00 H new ATOM 958 N LEU A 69 -6.932 2.267 -4.377 1.00 0.79 N ATOM 959 CA LEU A 69 -5.753 3.128 -4.334 1.00 1.01 C ATOM 960 C LEU A 69 -4.817 2.919 -5.539 1.00 1.08 C ATOM 961 O LEU A 69 -4.514 3.882 -6.250 1.00 1.37 O ATOM 962 CB LEU A 69 -5.008 2.893 -3.013 1.00 1.16 C ATOM 963 CG LEU A 69 -3.673 3.612 -2.862 1.00 1.47 C ATOM 964 CD1 LEU A 69 -3.856 5.112 -3.004 1.00 2.29 C ATOM 965 CD2 LEU A 69 -3.046 3.269 -1.519 1.00 1.96 C ATOM 0 H LEU A 69 -7.052 1.695 -3.541 1.00 0.79 H new ATOM 0 HA LEU A 69 -6.090 4.163 -4.392 1.00 1.01 H new ATOM 0 HB2 LEU A 69 -5.658 3.199 -2.193 1.00 1.16 H new ATOM 0 HB3 LEU A 69 -4.836 1.822 -2.901 1.00 1.16 H new ATOM 0 HG LEU A 69 -3.002 3.278 -3.654 1.00 1.47 H new ATOM 0 HD11 LEU A 69 -2.892 5.608 -2.893 1.00 2.29 H new ATOM 0 HD12 LEU A 69 -4.269 5.337 -3.987 1.00 2.29 H new ATOM 0 HD13 LEU A 69 -4.539 5.470 -2.233 1.00 2.29 H new ATOM 0 HD21 LEU A 69 -2.092 3.787 -1.420 1.00 1.96 H new ATOM 0 HD22 LEU A 69 -3.714 3.580 -0.716 1.00 1.96 H new ATOM 0 HD23 LEU A 69 -2.882 2.193 -1.458 1.00 1.96 H new ATOM 977 N PRO A 70 -4.350 1.673 -5.808 1.00 0.88 N ATOM 978 CA PRO A 70 -3.435 1.403 -6.929 1.00 0.91 C ATOM 979 C PRO A 70 -4.003 1.881 -8.259 1.00 1.02 C ATOM 980 O PRO A 70 -3.278 2.381 -9.123 1.00 1.20 O ATOM 981 CB PRO A 70 -3.293 -0.126 -6.929 1.00 0.77 C ATOM 982 CG PRO A 70 -4.411 -0.630 -6.085 1.00 0.78 C ATOM 983 CD PRO A 70 -4.664 0.439 -5.068 1.00 0.78 C ATOM 0 HA PRO A 70 -2.487 1.927 -6.812 1.00 0.91 H new ATOM 0 HB2 PRO A 70 -3.355 -0.526 -7.941 1.00 0.77 H new ATOM 0 HB3 PRO A 70 -2.328 -0.430 -6.524 1.00 0.77 H new ATOM 0 HG2 PRO A 70 -5.301 -0.818 -6.685 1.00 0.78 H new ATOM 0 HG3 PRO A 70 -4.146 -1.572 -5.605 1.00 0.78 H new ATOM 0 HD2 PRO A 70 -5.696 0.429 -4.718 1.00 0.78 H new ATOM 0 HD3 PRO A 70 -4.029 0.321 -4.190 1.00 0.78 H new ATOM 991 N GLY A 71 -5.312 1.741 -8.400 1.00 1.06 N ATOM 992 CA GLY A 71 -5.984 2.141 -9.617 1.00 1.36 C ATOM 993 C GLY A 71 -5.910 3.637 -9.864 1.00 1.09 C ATOM 994 O GLY A 71 -5.741 4.074 -11.002 1.00 1.18 O ATOM 0 H GLY A 71 -5.926 1.353 -7.684 1.00 1.06 H new ATOM 0 HA2 GLY A 71 -5.539 1.615 -10.462 1.00 1.36 H new ATOM 0 HA3 GLY A 71 -7.029 1.837 -9.566 1.00 1.36 H new ATOM 998 N LYS A 72 -6.030 4.423 -8.802 1.00 0.90 N ATOM 999 CA LYS A 72 -6.034 5.875 -8.928 1.00 0.78 C ATOM 1000 C LYS A 72 -4.631 6.419 -9.177 1.00 0.73 C ATOM 1001 O LYS A 72 -4.434 7.268 -10.046 1.00 0.99 O ATOM 1002 CB LYS A 72 -6.632 6.518 -7.672 1.00 0.76 C ATOM 1003 CG LYS A 72 -7.993 5.958 -7.286 1.00 1.18 C ATOM 1004 CD LYS A 72 -8.949 5.956 -8.466 1.00 1.40 C ATOM 1005 CE LYS A 72 -9.204 7.358 -8.990 1.00 2.07 C ATOM 1006 NZ LYS A 72 -10.070 8.148 -8.080 1.00 2.61 N ATOM 0 H LYS A 72 -6.126 4.081 -7.846 1.00 0.90 H new ATOM 0 HA LYS A 72 -6.651 6.130 -9.789 1.00 0.78 H new ATOM 0 HB2 LYS A 72 -5.942 6.378 -6.840 1.00 0.76 H new ATOM 0 HB3 LYS A 72 -6.724 7.592 -7.833 1.00 0.76 H new ATOM 0 HG2 LYS A 72 -7.876 4.942 -6.909 1.00 1.18 H new ATOM 0 HG3 LYS A 72 -8.415 6.552 -6.475 1.00 1.18 H new ATOM 0 HD2 LYS A 72 -8.538 5.339 -9.265 1.00 1.40 H new ATOM 0 HD3 LYS A 72 -9.894 5.503 -8.167 1.00 1.40 H new ATOM 0 HE2 LYS A 72 -8.253 7.873 -9.122 1.00 2.07 H new ATOM 0 HE3 LYS A 72 -9.672 7.297 -9.972 1.00 2.07 H new ATOM 0 HZ1 LYS A 72 -10.217 9.098 -8.478 1.00 2.61 H new ATOM 0 HZ2 LYS A 72 -10.988 7.671 -7.974 1.00 2.61 H new ATOM 0 HZ3 LYS A 72 -9.613 8.230 -7.150 1.00 2.61 H new ATOM 1020 N CYS A 73 -3.654 5.916 -8.432 1.00 0.63 N ATOM 1021 CA CYS A 73 -2.274 6.389 -8.562 1.00 0.63 C ATOM 1022 C CYS A 73 -1.643 5.879 -9.858 1.00 0.62 C ATOM 1023 O CYS A 73 -0.543 6.294 -10.228 1.00 0.77 O ATOM 1024 CB CYS A 73 -1.458 5.959 -7.335 1.00 0.72 C ATOM 1025 SG CYS A 73 -2.266 6.406 -5.768 1.00 1.65 S ATOM 0 H CYS A 73 -3.787 5.184 -7.734 1.00 0.63 H new ATOM 0 HA CYS A 73 -2.276 7.478 -8.609 1.00 0.63 H new ATOM 0 HB2 CYS A 73 -1.304 4.880 -7.365 1.00 0.72 H new ATOM 0 HB3 CYS A 73 -0.473 6.423 -7.377 1.00 0.72 H new ATOM 1030 N GLY A 74 -2.349 4.979 -10.542 1.00 0.61 N ATOM 1031 CA GLY A 74 -1.910 4.516 -11.841 1.00 0.67 C ATOM 1032 C GLY A 74 -0.826 3.477 -11.726 1.00 0.66 C ATOM 1033 O GLY A 74 0.044 3.371 -12.589 1.00 0.96 O ATOM 0 H GLY A 74 -3.221 4.563 -10.214 1.00 0.61 H new ATOM 0 HA2 GLY A 74 -2.758 4.098 -12.384 1.00 0.67 H new ATOM 0 HA3 GLY A 74 -1.543 5.361 -12.424 1.00 0.67 H new ATOM 1037 N VAL A 75 -0.886 2.697 -10.663 1.00 0.55 N ATOM 1038 CA VAL A 75 0.145 1.718 -10.384 1.00 0.61 C ATOM 1039 C VAL A 75 -0.438 0.319 -10.224 1.00 0.80 C ATOM 1040 O VAL A 75 -0.721 -0.137 -9.117 1.00 1.70 O ATOM 1041 CB VAL A 75 0.971 2.105 -9.137 1.00 0.63 C ATOM 1042 CG1 VAL A 75 1.972 3.197 -9.485 1.00 1.09 C ATOM 1043 CG2 VAL A 75 0.060 2.571 -8.006 1.00 0.51 C ATOM 0 H VAL A 75 -1.641 2.723 -9.977 1.00 0.55 H new ATOM 0 HA VAL A 75 0.814 1.708 -11.244 1.00 0.61 H new ATOM 0 HB VAL A 75 1.513 1.221 -8.800 1.00 0.63 H new ATOM 0 HG11 VAL A 75 2.547 3.460 -8.597 1.00 1.09 H new ATOM 0 HG12 VAL A 75 2.647 2.838 -10.261 1.00 1.09 H new ATOM 0 HG13 VAL A 75 1.440 4.077 -9.846 1.00 1.09 H new ATOM 0 HG21 VAL A 75 0.664 2.838 -7.139 1.00 0.51 H new ATOM 0 HG22 VAL A 75 -0.510 3.441 -8.333 1.00 0.51 H new ATOM 0 HG23 VAL A 75 -0.626 1.768 -7.737 1.00 0.51 H new ATOM 1053 N ASN A 76 -0.659 -0.338 -11.354 1.00 0.78 N ATOM 1054 CA ASN A 76 -1.102 -1.727 -11.361 1.00 0.90 C ATOM 1055 C ASN A 76 0.058 -2.643 -11.007 1.00 0.81 C ATOM 1056 O ASN A 76 0.773 -3.134 -11.884 1.00 0.99 O ATOM 1057 CB ASN A 76 -1.677 -2.123 -12.725 1.00 1.23 C ATOM 1058 CG ASN A 76 -2.977 -1.415 -13.050 1.00 1.70 C ATOM 1059 OD1 ASN A 76 -4.063 -1.896 -12.722 1.00 2.27 O ATOM 1060 ND2 ASN A 76 -2.877 -0.267 -13.702 1.00 2.31 N ATOM 0 H ASN A 76 -0.539 0.069 -12.281 1.00 0.78 H new ATOM 0 HA ASN A 76 -1.891 -1.831 -10.617 1.00 0.90 H new ATOM 0 HB2 ASN A 76 -0.944 -1.899 -13.500 1.00 1.23 H new ATOM 0 HB3 ASN A 76 -1.842 -3.200 -12.744 1.00 1.23 H new ATOM 0 HD21 ASN A 76 -3.718 0.253 -13.951 1.00 2.31 H new ATOM 0 HD22 ASN A 76 -1.959 0.097 -13.955 1.00 2.31 H new ATOM 1067 N ILE A 77 0.263 -2.833 -9.718 1.00 0.78 N ATOM 1068 CA ILE A 77 1.365 -3.645 -9.222 1.00 0.91 C ATOM 1069 C ILE A 77 1.057 -5.136 -9.344 1.00 0.85 C ATOM 1070 O ILE A 77 -0.110 -5.536 -9.360 1.00 0.82 O ATOM 1071 CB ILE A 77 1.717 -3.282 -7.761 1.00 1.19 C ATOM 1072 CG1 ILE A 77 0.467 -3.316 -6.867 1.00 1.12 C ATOM 1073 CG2 ILE A 77 2.384 -1.918 -7.716 1.00 1.83 C ATOM 1074 CD1 ILE A 77 0.667 -2.675 -5.509 1.00 1.17 C ATOM 0 H ILE A 77 -0.324 -2.433 -8.986 1.00 0.78 H new ATOM 0 HA ILE A 77 2.233 -3.427 -9.845 1.00 0.91 H new ATOM 0 HB ILE A 77 2.414 -4.025 -7.374 1.00 1.19 H new ATOM 0 HG12 ILE A 77 -0.349 -2.808 -7.381 1.00 1.12 H new ATOM 0 HG13 ILE A 77 0.160 -4.353 -6.727 1.00 1.12 H new ATOM 0 HG21 ILE A 77 2.630 -1.667 -6.684 1.00 1.83 H new ATOM 0 HG22 ILE A 77 3.297 -1.939 -8.312 1.00 1.83 H new ATOM 0 HG23 ILE A 77 1.705 -1.167 -8.120 1.00 1.83 H new ATOM 0 HD11 ILE A 77 -0.259 -2.738 -4.937 1.00 1.17 H new ATOM 0 HD12 ILE A 77 1.461 -3.196 -4.974 1.00 1.17 H new ATOM 0 HD13 ILE A 77 0.943 -1.628 -5.638 1.00 1.17 H new ATOM 1086 N PRO A 78 2.111 -5.967 -9.462 1.00 0.96 N ATOM 1087 CA PRO A 78 1.971 -7.417 -9.647 1.00 1.03 C ATOM 1088 C PRO A 78 1.238 -8.088 -8.493 1.00 0.91 C ATOM 1089 O PRO A 78 0.276 -8.828 -8.702 1.00 1.28 O ATOM 1090 CB PRO A 78 3.418 -7.918 -9.718 1.00 1.24 C ATOM 1091 CG PRO A 78 4.233 -6.717 -10.059 1.00 1.35 C ATOM 1092 CD PRO A 78 3.524 -5.552 -9.439 1.00 1.15 C ATOM 0 HA PRO A 78 1.381 -7.650 -10.533 1.00 1.03 H new ATOM 0 HB2 PRO A 78 3.732 -8.350 -8.768 1.00 1.24 H new ATOM 0 HB3 PRO A 78 3.528 -8.696 -10.473 1.00 1.24 H new ATOM 0 HG2 PRO A 78 5.247 -6.809 -9.670 1.00 1.35 H new ATOM 0 HG3 PRO A 78 4.316 -6.595 -11.139 1.00 1.35 H new ATOM 0 HD2 PRO A 78 3.872 -5.363 -8.423 1.00 1.15 H new ATOM 0 HD3 PRO A 78 3.684 -4.635 -10.006 1.00 1.15 H new ATOM 1100 N TYR A 79 1.693 -7.835 -7.277 1.00 0.89 N ATOM 1101 CA TYR A 79 1.064 -8.415 -6.102 1.00 0.80 C ATOM 1102 C TYR A 79 -0.185 -7.626 -5.732 1.00 0.85 C ATOM 1103 O TYR A 79 -0.391 -6.514 -6.216 1.00 1.07 O ATOM 1104 CB TYR A 79 2.047 -8.472 -4.927 1.00 0.91 C ATOM 1105 CG TYR A 79 2.761 -7.169 -4.639 1.00 0.81 C ATOM 1106 CD1 TYR A 79 2.068 -6.054 -4.182 1.00 0.99 C ATOM 1107 CD2 TYR A 79 4.133 -7.064 -4.813 1.00 0.84 C ATOM 1108 CE1 TYR A 79 2.729 -4.871 -3.910 1.00 1.13 C ATOM 1109 CE2 TYR A 79 4.798 -5.886 -4.544 1.00 0.99 C ATOM 1110 CZ TYR A 79 4.093 -4.792 -4.093 1.00 1.10 C ATOM 1111 OH TYR A 79 4.758 -3.619 -3.823 1.00 1.38 O ATOM 0 H TYR A 79 2.493 -7.234 -7.078 1.00 0.89 H new ATOM 0 HA TYR A 79 0.769 -9.438 -6.336 1.00 0.80 H new ATOM 0 HB2 TYR A 79 1.506 -8.780 -4.032 1.00 0.91 H new ATOM 0 HB3 TYR A 79 2.791 -9.242 -5.130 1.00 0.91 H new ATOM 0 HD1 TYR A 79 0.999 -6.113 -4.038 1.00 0.99 H new ATOM 0 HD2 TYR A 79 4.690 -7.919 -5.165 1.00 0.84 H new ATOM 0 HE1 TYR A 79 2.179 -4.012 -3.555 1.00 1.13 H new ATOM 0 HE2 TYR A 79 5.867 -5.822 -4.686 1.00 0.99 H new ATOM 0 HH TYR A 79 5.714 -3.736 -4.004 1.00 1.38 H new ATOM 1121 N LYS A 80 -1.018 -8.200 -4.881 1.00 0.87 N ATOM 1122 CA LYS A 80 -2.290 -7.582 -4.543 1.00 1.11 C ATOM 1123 C LYS A 80 -2.260 -6.949 -3.165 1.00 1.06 C ATOM 1124 O LYS A 80 -1.910 -7.588 -2.175 1.00 1.49 O ATOM 1125 CB LYS A 80 -3.421 -8.604 -4.621 1.00 1.41 C ATOM 1126 CG LYS A 80 -3.469 -9.325 -5.951 1.00 2.02 C ATOM 1127 CD LYS A 80 -3.398 -8.349 -7.115 1.00 2.55 C ATOM 1128 CE LYS A 80 -3.375 -9.079 -8.450 1.00 3.04 C ATOM 1129 NZ LYS A 80 -2.159 -9.918 -8.601 1.00 3.48 N ATOM 0 H LYS A 80 -0.839 -9.088 -4.413 1.00 0.87 H new ATOM 0 HA LYS A 80 -2.469 -6.792 -5.272 1.00 1.11 H new ATOM 0 HB2 LYS A 80 -3.300 -9.334 -3.821 1.00 1.41 H new ATOM 0 HB3 LYS A 80 -4.372 -8.100 -4.452 1.00 1.41 H new ATOM 0 HG2 LYS A 80 -2.640 -10.030 -6.014 1.00 2.02 H new ATOM 0 HG3 LYS A 80 -4.388 -9.907 -6.018 1.00 2.02 H new ATOM 0 HD2 LYS A 80 -4.255 -7.676 -7.081 1.00 2.55 H new ATOM 0 HD3 LYS A 80 -2.505 -7.732 -7.020 1.00 2.55 H new ATOM 0 HE2 LYS A 80 -4.262 -9.707 -8.536 1.00 3.04 H new ATOM 0 HE3 LYS A 80 -3.418 -8.353 -9.262 1.00 3.04 H new ATOM 0 HZ1 LYS A 80 -2.058 -10.207 -9.595 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -1.322 -9.372 -8.312 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -2.244 -10.764 -8.002 1.00 3.48 H new ATOM 1143 N ILE A 81 -2.662 -5.693 -3.122 1.00 1.13 N ATOM 1144 CA ILE A 81 -2.697 -4.925 -1.881 1.00 1.19 C ATOM 1145 C ILE A 81 -3.799 -5.442 -0.952 1.00 1.22 C ATOM 1146 O ILE A 81 -3.702 -5.332 0.268 1.00 1.37 O ATOM 1147 CB ILE A 81 -2.917 -3.423 -2.172 1.00 1.52 C ATOM 1148 CG1 ILE A 81 -2.978 -2.626 -0.870 1.00 2.09 C ATOM 1149 CG2 ILE A 81 -4.180 -3.215 -3.001 1.00 1.88 C ATOM 1150 CD1 ILE A 81 -3.281 -1.162 -1.077 1.00 2.55 C ATOM 0 H ILE A 81 -2.974 -5.172 -3.942 1.00 1.13 H new ATOM 0 HA ILE A 81 -1.734 -5.049 -1.385 1.00 1.19 H new ATOM 0 HB ILE A 81 -2.070 -3.057 -2.752 1.00 1.52 H new ATOM 0 HG12 ILE A 81 -3.741 -3.059 -0.223 1.00 2.09 H new ATOM 0 HG13 ILE A 81 -2.026 -2.722 -0.349 1.00 2.09 H new ATOM 0 HG21 ILE A 81 -4.317 -2.151 -3.195 1.00 1.88 H new ATOM 0 HG22 ILE A 81 -4.086 -3.747 -3.948 1.00 1.88 H new ATOM 0 HG23 ILE A 81 -5.042 -3.598 -2.454 1.00 1.88 H new ATOM 0 HD11 ILE A 81 -3.310 -0.656 -0.112 1.00 2.55 H new ATOM 0 HD12 ILE A 81 -2.505 -0.714 -1.698 1.00 2.55 H new ATOM 0 HD13 ILE A 81 -4.247 -1.057 -1.570 1.00 2.55 H new ATOM 1162 N SER A 82 -4.825 -6.034 -1.550 1.00 1.31 N ATOM 1163 CA SER A 82 -5.967 -6.586 -0.816 1.00 1.50 C ATOM 1164 C SER A 82 -5.597 -7.837 0.005 1.00 1.47 C ATOM 1165 O SER A 82 -6.464 -8.643 0.336 1.00 1.81 O ATOM 1166 CB SER A 82 -7.067 -6.936 -1.816 1.00 1.79 C ATOM 1167 OG SER A 82 -7.236 -5.893 -2.764 1.00 2.45 O ATOM 0 H SER A 82 -4.893 -6.147 -2.561 1.00 1.31 H new ATOM 0 HA SER A 82 -6.307 -5.831 -0.107 1.00 1.50 H new ATOM 0 HB2 SER A 82 -6.816 -7.864 -2.330 1.00 1.79 H new ATOM 0 HB3 SER A 82 -8.004 -7.108 -1.287 1.00 1.79 H new ATOM 0 HG SER A 82 -7.944 -6.137 -3.396 1.00 2.45 H new ATOM 1173 N THR A 83 -4.310 -7.976 0.330 1.00 1.47 N ATOM 1174 CA THR A 83 -3.776 -9.078 1.148 1.00 1.50 C ATOM 1175 C THR A 83 -4.084 -10.460 0.561 1.00 1.59 C ATOM 1176 O THR A 83 -3.961 -11.474 1.246 1.00 1.72 O ATOM 1177 CB THR A 83 -4.270 -9.014 2.620 1.00 1.65 C ATOM 1178 OG1 THR A 83 -5.681 -9.260 2.708 1.00 2.04 O ATOM 1179 CG2 THR A 83 -3.959 -7.657 3.237 1.00 1.68 C ATOM 0 H THR A 83 -3.593 -7.316 0.029 1.00 1.47 H new ATOM 0 HA THR A 83 -2.695 -8.940 1.137 1.00 1.50 H new ATOM 0 HB THR A 83 -3.741 -9.792 3.171 1.00 1.65 H new ATOM 0 HG1 THR A 83 -6.036 -9.449 1.815 1.00 2.04 H new ATOM 0 HG21 THR A 83 -4.314 -7.636 4.267 1.00 1.68 H new ATOM 0 HG22 THR A 83 -2.882 -7.488 3.221 1.00 1.68 H new ATOM 0 HG23 THR A 83 -4.458 -6.874 2.665 1.00 1.68 H new ATOM 1187 N SER A 84 -4.435 -10.503 -0.719 1.00 1.68 N ATOM 1188 CA SER A 84 -4.817 -11.750 -1.369 1.00 1.82 C ATOM 1189 C SER A 84 -3.640 -12.352 -2.137 1.00 1.55 C ATOM 1190 O SER A 84 -3.824 -13.154 -3.049 1.00 1.77 O ATOM 1191 CB SER A 84 -5.981 -11.488 -2.322 1.00 2.22 C ATOM 1192 OG SER A 84 -7.005 -10.746 -1.680 1.00 2.76 O ATOM 0 H SER A 84 -4.463 -9.686 -1.329 1.00 1.68 H new ATOM 0 HA SER A 84 -5.121 -12.463 -0.603 1.00 1.82 H new ATOM 0 HB2 SER A 84 -5.625 -10.943 -3.196 1.00 2.22 H new ATOM 0 HB3 SER A 84 -6.383 -12.436 -2.680 1.00 2.22 H new ATOM 0 HG SER A 84 -7.739 -10.589 -2.310 1.00 2.76 H new ATOM 1198 N THR A 85 -2.432 -11.981 -1.743 1.00 1.28 N ATOM 1199 CA THR A 85 -1.236 -12.398 -2.456 1.00 1.11 C ATOM 1200 C THR A 85 -0.168 -12.872 -1.485 1.00 0.96 C ATOM 1201 O THR A 85 -0.270 -12.657 -0.272 1.00 1.52 O ATOM 1202 CB THR A 85 -0.670 -11.227 -3.293 1.00 1.30 C ATOM 1203 OG1 THR A 85 0.367 -11.680 -4.175 1.00 2.05 O ATOM 1204 CG2 THR A 85 -0.120 -10.138 -2.379 1.00 0.91 C ATOM 0 H THR A 85 -2.254 -11.390 -0.931 1.00 1.28 H new ATOM 0 HA THR A 85 -1.512 -13.220 -3.117 1.00 1.11 H new ATOM 0 HB THR A 85 -1.485 -10.820 -3.891 1.00 1.30 H new ATOM 0 HG1 THR A 85 0.708 -10.923 -4.695 1.00 2.05 H new ATOM 0 HG21 THR A 85 0.275 -9.321 -2.983 1.00 0.91 H new ATOM 0 HG22 THR A 85 -0.918 -9.763 -1.739 1.00 0.91 H new ATOM 0 HG23 THR A 85 0.678 -10.550 -1.761 1.00 0.91 H new ATOM 1212 N ASN A 86 0.841 -13.535 -2.022 1.00 1.23 N ATOM 1213 CA ASN A 86 2.004 -13.902 -1.246 1.00 1.36 C ATOM 1214 C ASN A 86 2.984 -12.734 -1.234 1.00 1.10 C ATOM 1215 O ASN A 86 2.985 -11.913 -2.156 1.00 1.53 O ATOM 1216 CB ASN A 86 2.644 -15.184 -1.805 1.00 1.81 C ATOM 1217 CG ASN A 86 3.089 -15.091 -3.264 1.00 2.40 C ATOM 1218 OD1 ASN A 86 3.453 -14.031 -3.766 1.00 3.05 O ATOM 1219 ND2 ASN A 86 3.061 -16.217 -3.958 1.00 2.73 N ATOM 0 H ASN A 86 0.875 -13.830 -2.998 1.00 1.23 H new ATOM 0 HA ASN A 86 1.711 -14.117 -0.218 1.00 1.36 H new ATOM 0 HB2 ASN A 86 3.508 -15.440 -1.191 1.00 1.81 H new ATOM 0 HB3 ASN A 86 1.930 -16.002 -1.708 1.00 1.81 H new ATOM 0 HD21 ASN A 86 3.347 -16.220 -4.937 1.00 2.73 H new ATOM 0 HD22 ASN A 86 2.754 -17.082 -3.514 1.00 2.73 H new ATOM 1226 N CYS A 87 3.778 -12.627 -0.182 1.00 0.87 N ATOM 1227 CA CYS A 87 4.694 -11.503 -0.048 1.00 0.72 C ATOM 1228 C CYS A 87 6.065 -11.934 0.453 1.00 0.83 C ATOM 1229 O CYS A 87 7.008 -11.149 0.436 1.00 1.10 O ATOM 1230 CB CYS A 87 4.124 -10.445 0.903 1.00 0.90 C ATOM 1231 SG CYS A 87 2.563 -9.676 0.354 1.00 1.71 S ATOM 0 H CYS A 87 3.809 -13.297 0.586 1.00 0.87 H new ATOM 0 HA CYS A 87 4.810 -11.079 -1.045 1.00 0.72 H new ATOM 0 HB2 CYS A 87 3.962 -10.904 1.878 1.00 0.90 H new ATOM 0 HB3 CYS A 87 4.869 -9.661 1.039 1.00 0.90 H new ATOM 1236 N ASN A 88 6.191 -13.179 0.891 1.00 0.91 N ATOM 1237 CA ASN A 88 7.453 -13.644 1.459 1.00 1.09 C ATOM 1238 C ASN A 88 8.499 -13.843 0.364 1.00 1.10 C ATOM 1239 O ASN A 88 9.680 -14.049 0.647 1.00 1.24 O ATOM 1240 CB ASN A 88 7.242 -14.946 2.241 1.00 1.38 C ATOM 1241 CG ASN A 88 8.436 -15.307 3.105 1.00 2.04 C ATOM 1242 OD1 ASN A 88 9.159 -14.433 3.583 1.00 2.76 O ATOM 1243 ND2 ASN A 88 8.650 -16.597 3.320 1.00 2.55 N ATOM 0 H ASN A 88 5.448 -13.878 0.866 1.00 0.91 H new ATOM 0 HA ASN A 88 7.819 -12.882 2.147 1.00 1.09 H new ATOM 0 HB2 ASN A 88 6.358 -14.848 2.871 1.00 1.38 H new ATOM 0 HB3 ASN A 88 7.046 -15.758 1.541 1.00 1.38 H new ATOM 0 HD21 ASN A 88 9.436 -16.894 3.899 1.00 2.55 H new ATOM 0 HD22 ASN A 88 8.029 -17.293 2.907 1.00 2.55 H new ATOM 1250 N SER A 89 8.066 -13.750 -0.885 1.00 1.12 N ATOM 1251 CA SER A 89 8.954 -13.927 -2.017 1.00 1.29 C ATOM 1252 C SER A 89 8.678 -12.862 -3.070 1.00 1.42 C ATOM 1253 O SER A 89 9.555 -12.067 -3.389 1.00 2.21 O ATOM 1254 CB SER A 89 8.773 -15.328 -2.598 1.00 1.53 C ATOM 1255 OG SER A 89 7.395 -15.641 -2.742 1.00 2.11 O ATOM 0 H SER A 89 7.098 -13.552 -1.137 1.00 1.12 H new ATOM 0 HA SER A 89 9.987 -13.819 -1.688 1.00 1.29 H new ATOM 0 HB2 SER A 89 9.268 -15.391 -3.567 1.00 1.53 H new ATOM 0 HB3 SER A 89 9.251 -16.061 -1.948 1.00 1.53 H new ATOM 0 HG SER A 89 7.302 -16.542 -3.117 1.00 2.11 H new ATOM 1261 N ILE A 90 7.430 -12.867 -3.557 1.00 1.14 N ATOM 1262 CA ILE A 90 6.909 -11.949 -4.589 1.00 1.35 C ATOM 1263 C ILE A 90 7.744 -11.929 -5.869 1.00 1.76 C ATOM 1264 O ILE A 90 8.966 -11.798 -5.860 1.00 2.17 O ATOM 1265 CB ILE A 90 6.704 -10.489 -4.109 1.00 1.10 C ATOM 1266 CG1 ILE A 90 8.030 -9.736 -4.007 1.00 1.08 C ATOM 1267 CG2 ILE A 90 5.971 -10.456 -2.784 1.00 1.14 C ATOM 1268 CD1 ILE A 90 7.867 -8.261 -3.732 1.00 0.97 C ATOM 0 H ILE A 90 6.727 -13.532 -3.234 1.00 1.14 H new ATOM 0 HA ILE A 90 5.929 -12.374 -4.808 1.00 1.35 H new ATOM 0 HB ILE A 90 6.093 -9.983 -4.857 1.00 1.10 H new ATOM 0 HG12 ILE A 90 8.631 -10.181 -3.214 1.00 1.08 H new ATOM 0 HG13 ILE A 90 8.584 -9.865 -4.937 1.00 1.08 H new ATOM 0 HG21 ILE A 90 5.839 -9.422 -2.467 1.00 1.14 H new ATOM 0 HG22 ILE A 90 4.995 -10.929 -2.896 1.00 1.14 H new ATOM 0 HG23 ILE A 90 6.551 -10.994 -2.034 1.00 1.14 H new ATOM 0 HD11 ILE A 90 8.849 -7.791 -3.673 1.00 0.97 H new ATOM 0 HD12 ILE A 90 7.293 -7.802 -4.537 1.00 0.97 H new ATOM 0 HD13 ILE A 90 7.341 -8.123 -2.787 1.00 0.97 H new