USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=22 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 86 ASN : amide:sc= -1.02 K(o=-0.86,f=-5.1!) USER MOD Set 1.2: A 88 ASN : amide:sc= 0.154 K(o=-0.86,f=-11!) USER MOD Set 2.1: A 62 ASN : amide:sc= 0 K(o=-1.1,f=-1.8) USER MOD Set 2.2: A 64 ASN : amide:sc= -0.723 K(o=-1.1,f=-2.7!) USER MOD Set 2.3: A 65 ASN : amide:sc= -0.336 K(o=-1.1,f=-2.4) USER MOD Set 3.1: A 18 GLN : amide:sc= 0.546 K(o=0.82,f=-2.2!) USER MOD Set 3.2: A 19 LYS NZ :NH3+ -116:sc= 0.278 (180deg=-0.0472) USER MOD Set 4.1: A 1 MET N :NH3+ -176:sc= 0.913 (180deg=0.829) USER MOD Set 4.2: A 5 GLN : amide:sc= -0.876 K(o=0.037,f=-0.63) USER MOD Single : A 1 MET CE :methyl -123:sc= -2.76 (180deg=-4.44!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 7 GLN : amide:sc= -0.406 X(o=-0.41,f=-0.74) USER MOD Single : A 9 ASN : amide:sc= -9.06! C(o=-9.1!,f=-12!) USER MOD Single : A 12 GLN : amide:sc= -0.0754 K(o=-0.075,f=-0.72) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 107:sc= 1.29 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.108 F(o=-1.5,f=-0.11) USER MOD Single : A 36 ASN :FLIP amide:sc= -0.0198 F(o=-0.55,f=-0.02) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0.0559 USER MOD Single : A 40 THR OG1 : rot -117:sc= 1.07 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 74:sc= 0.556 USER MOD Single : A 52 LYS NZ :NH3+ 177:sc= 1.17 (180deg=1.14) USER MOD Single : A 72 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00726) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0.0088) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 145:sc= 1.05 (180deg=-0.99!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0295 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -37:sc= 0.762 USER MOD Single : A 89 SER OG : rot -31:sc= 0.603 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.054 0.064 4.356 1.00 1.70 N ATOM 2 CA MET A 1 11.675 -0.289 4.759 1.00 1.61 C ATOM 3 C MET A 1 11.548 -0.445 6.258 1.00 0.88 C ATOM 4 O MET A 1 12.328 -1.147 6.902 1.00 1.16 O ATOM 5 CB MET A 1 11.227 -1.583 4.063 1.00 2.50 C ATOM 6 CG MET A 1 9.861 -2.089 4.510 1.00 2.77 C ATOM 7 SD MET A 1 9.927 -3.056 6.037 1.00 2.91 S ATOM 8 CE MET A 1 8.185 -3.223 6.417 1.00 2.61 C ATOM 0 H1 MET A 1 13.084 0.228 3.330 1.00 1.70 H new ATOM 0 H2 MET A 1 13.351 0.928 4.854 1.00 1.70 H new ATOM 0 H3 MET A 1 13.698 -0.715 4.601 1.00 1.70 H new ATOM 0 HA MET A 1 11.028 0.532 4.450 1.00 1.61 H new ATOM 0 HB2 MET A 1 11.206 -1.415 2.986 1.00 2.50 H new ATOM 0 HB3 MET A 1 11.969 -2.359 4.250 1.00 2.50 H new ATOM 0 HG2 MET A 1 9.195 -1.239 4.654 1.00 2.77 H new ATOM 0 HG3 MET A 1 9.430 -2.701 3.718 1.00 2.77 H new ATOM 0 HE1 MET A 1 7.990 -2.823 7.412 1.00 2.61 H new ATOM 0 HE2 MET A 1 7.598 -2.671 5.683 1.00 2.61 H new ATOM 0 HE3 MET A 1 7.906 -4.276 6.388 1.00 2.61 H new ATOM 20 N THR A 2 10.563 0.244 6.796 1.00 0.65 N ATOM 21 CA THR A 2 10.076 -0.009 8.132 1.00 1.13 C ATOM 22 C THR A 2 8.571 -0.161 8.057 1.00 1.10 C ATOM 23 O THR A 2 7.977 0.082 7.000 1.00 1.86 O ATOM 24 CB THR A 2 10.427 1.134 9.110 1.00 1.75 C ATOM 25 OG1 THR A 2 9.859 2.361 8.638 1.00 2.36 O ATOM 26 CG2 THR A 2 11.934 1.291 9.262 1.00 2.63 C ATOM 0 H THR A 2 10.076 1.000 6.314 1.00 0.65 H new ATOM 0 HA THR A 2 10.552 -0.913 8.511 1.00 1.13 H new ATOM 0 HB THR A 2 10.013 0.885 10.087 1.00 1.75 H new ATOM 0 HG1 THR A 2 10.081 3.085 9.260 1.00 2.36 H new ATOM 0 HG21 THR A 2 12.147 2.103 9.957 1.00 2.63 H new ATOM 0 HG22 THR A 2 12.359 0.364 9.646 1.00 2.63 H new ATOM 0 HG23 THR A 2 12.376 1.518 8.292 1.00 2.63 H new ATOM 34 N CYS A 3 7.941 -0.544 9.148 1.00 0.81 N ATOM 35 CA CYS A 3 6.494 -0.612 9.167 1.00 0.69 C ATOM 36 C CYS A 3 5.928 0.792 9.371 1.00 0.65 C ATOM 37 O CYS A 3 4.747 0.976 9.654 1.00 0.79 O ATOM 38 CB CYS A 3 6.001 -1.572 10.250 1.00 0.76 C ATOM 39 SG CYS A 3 4.430 -2.395 9.831 1.00 0.70 S ATOM 0 H CYS A 3 8.398 -0.809 10.020 1.00 0.81 H new ATOM 0 HA CYS A 3 6.142 -1.002 8.212 1.00 0.69 H new ATOM 0 HB2 CYS A 3 6.764 -2.331 10.427 1.00 0.76 H new ATOM 0 HB3 CYS A 3 5.876 -1.022 11.183 1.00 0.76 H new ATOM 44 N GLY A 4 6.801 1.786 9.206 1.00 0.57 N ATOM 45 CA GLY A 4 6.389 3.173 9.241 1.00 0.56 C ATOM 46 C GLY A 4 6.463 3.763 7.854 1.00 0.51 C ATOM 47 O GLY A 4 5.782 4.736 7.529 1.00 0.53 O ATOM 0 H GLY A 4 7.799 1.647 9.047 1.00 0.57 H new ATOM 0 HA2 GLY A 4 5.372 3.250 9.625 1.00 0.56 H new ATOM 0 HA3 GLY A 4 7.030 3.735 9.920 1.00 0.56 H new ATOM 51 N GLN A 5 7.304 3.144 7.035 1.00 0.52 N ATOM 52 CA GLN A 5 7.405 3.477 5.626 1.00 0.51 C ATOM 53 C GLN A 5 6.077 3.160 4.952 1.00 0.46 C ATOM 54 O GLN A 5 5.536 3.963 4.194 1.00 0.52 O ATOM 55 CB GLN A 5 8.544 2.673 4.989 1.00 0.60 C ATOM 56 CG GLN A 5 8.925 3.129 3.592 1.00 0.62 C ATOM 57 CD GLN A 5 10.094 2.347 3.025 1.00 0.81 C ATOM 58 OE1 GLN A 5 11.251 2.713 3.220 1.00 1.25 O ATOM 59 NE2 GLN A 5 9.809 1.262 2.316 1.00 0.96 N ATOM 0 H GLN A 5 7.933 2.398 7.332 1.00 0.52 H new ATOM 0 HA GLN A 5 7.624 4.538 5.502 1.00 0.51 H new ATOM 0 HB2 GLN A 5 9.422 2.737 5.632 1.00 0.60 H new ATOM 0 HB3 GLN A 5 8.254 1.623 4.949 1.00 0.60 H new ATOM 0 HG2 GLN A 5 8.065 3.021 2.931 1.00 0.62 H new ATOM 0 HG3 GLN A 5 9.178 4.189 3.616 1.00 0.62 H new ATOM 0 HE21 GLN A 5 8.837 0.987 2.173 1.00 0.96 H new ATOM 0 HE22 GLN A 5 10.562 0.703 1.914 1.00 0.96 H new ATOM 68 N VAL A 6 5.547 1.980 5.265 1.00 0.43 N ATOM 69 CA VAL A 6 4.234 1.566 4.770 1.00 0.44 C ATOM 70 C VAL A 6 3.139 2.475 5.319 1.00 0.44 C ATOM 71 O VAL A 6 2.119 2.698 4.672 1.00 0.49 O ATOM 72 CB VAL A 6 3.917 0.104 5.161 1.00 0.49 C ATOM 73 CG1 VAL A 6 2.492 -0.284 4.792 1.00 1.02 C ATOM 74 CG2 VAL A 6 4.889 -0.838 4.498 1.00 1.12 C ATOM 0 H VAL A 6 6.007 1.291 5.860 1.00 0.43 H new ATOM 0 HA VAL A 6 4.263 1.642 3.683 1.00 0.44 H new ATOM 0 HB VAL A 6 4.017 0.028 6.244 1.00 0.49 H new ATOM 0 HG11 VAL A 6 2.310 -1.318 5.083 1.00 1.02 H new ATOM 0 HG12 VAL A 6 1.791 0.369 5.312 1.00 1.02 H new ATOM 0 HG13 VAL A 6 2.354 -0.180 3.716 1.00 1.02 H new ATOM 0 HG21 VAL A 6 4.653 -1.863 4.783 1.00 1.12 H new ATOM 0 HG22 VAL A 6 4.814 -0.735 3.415 1.00 1.12 H new ATOM 0 HG23 VAL A 6 5.903 -0.597 4.816 1.00 1.12 H new ATOM 84 N GLN A 7 3.351 3.003 6.515 1.00 0.47 N ATOM 85 CA GLN A 7 2.400 3.933 7.092 1.00 0.54 C ATOM 86 C GLN A 7 2.286 5.172 6.222 1.00 0.58 C ATOM 87 O GLN A 7 1.193 5.631 5.944 1.00 0.70 O ATOM 88 CB GLN A 7 2.785 4.311 8.520 1.00 0.66 C ATOM 89 CG GLN A 7 2.504 3.213 9.527 1.00 0.98 C ATOM 90 CD GLN A 7 1.030 2.878 9.625 1.00 1.27 C ATOM 91 OE1 GLN A 7 0.519 2.033 8.890 1.00 1.97 O ATOM 92 NE2 GLN A 7 0.342 3.521 10.553 1.00 1.69 N ATOM 0 H GLN A 7 4.165 2.805 7.097 1.00 0.47 H new ATOM 0 HA GLN A 7 1.428 3.441 7.133 1.00 0.54 H new ATOM 0 HB2 GLN A 7 3.846 4.559 8.549 1.00 0.66 H new ATOM 0 HB3 GLN A 7 2.240 5.209 8.810 1.00 0.66 H new ATOM 0 HG2 GLN A 7 3.059 2.317 9.247 1.00 0.98 H new ATOM 0 HG3 GLN A 7 2.869 3.521 10.507 1.00 0.98 H new ATOM 0 HE21 GLN A 7 0.804 4.214 11.142 1.00 1.69 H new ATOM 0 HE22 GLN A 7 -0.651 3.324 10.680 1.00 1.69 H new ATOM 101 N GLY A 8 3.407 5.684 5.743 1.00 0.60 N ATOM 102 CA GLY A 8 3.355 6.839 4.864 1.00 0.70 C ATOM 103 C GLY A 8 2.670 6.526 3.542 1.00 0.66 C ATOM 104 O GLY A 8 2.388 7.422 2.749 1.00 0.82 O ATOM 0 H GLY A 8 4.342 5.329 5.941 1.00 0.60 H new ATOM 0 HA2 GLY A 8 2.824 7.649 5.363 1.00 0.70 H new ATOM 0 HA3 GLY A 8 4.368 7.193 4.671 1.00 0.70 H new ATOM 108 N ASN A 9 2.427 5.246 3.310 1.00 0.58 N ATOM 109 CA ASN A 9 1.609 4.793 2.198 1.00 0.63 C ATOM 110 C ASN A 9 0.138 4.810 2.620 1.00 0.62 C ATOM 111 O ASN A 9 -0.647 5.649 2.175 1.00 0.78 O ATOM 112 CB ASN A 9 2.044 3.371 1.788 1.00 0.75 C ATOM 113 CG ASN A 9 1.210 2.751 0.673 1.00 1.30 C ATOM 114 OD1 ASN A 9 0.022 3.008 0.531 1.00 1.86 O ATOM 115 ND2 ASN A 9 1.839 1.902 -0.125 1.00 1.86 N ATOM 0 H ASN A 9 2.793 4.490 3.889 1.00 0.58 H new ATOM 0 HA ASN A 9 1.737 5.455 1.341 1.00 0.63 H new ATOM 0 HB2 ASN A 9 3.086 3.401 1.471 1.00 0.75 H new ATOM 0 HB3 ASN A 9 1.996 2.723 2.663 1.00 0.75 H new ATOM 0 HD21 ASN A 9 1.333 1.443 -0.882 1.00 1.86 H new ATOM 0 HD22 ASN A 9 2.830 1.707 0.017 1.00 1.86 H new ATOM 122 N LEU A 10 -0.208 3.914 3.535 1.00 0.56 N ATOM 123 CA LEU A 10 -1.602 3.661 3.870 1.00 0.66 C ATOM 124 C LEU A 10 -2.199 4.722 4.793 1.00 0.65 C ATOM 125 O LEU A 10 -3.394 4.996 4.719 1.00 0.72 O ATOM 126 CB LEU A 10 -1.753 2.271 4.485 1.00 0.89 C ATOM 127 CG LEU A 10 -1.509 1.110 3.518 1.00 1.00 C ATOM 128 CD1 LEU A 10 -1.926 -0.203 4.151 1.00 1.45 C ATOM 129 CD2 LEU A 10 -2.260 1.326 2.217 1.00 1.73 C ATOM 0 H LEU A 10 0.460 3.349 4.059 1.00 0.56 H new ATOM 0 HA LEU A 10 -2.164 3.711 2.937 1.00 0.66 H new ATOM 0 HB2 LEU A 10 -1.058 2.181 5.320 1.00 0.89 H new ATOM 0 HB3 LEU A 10 -2.759 2.178 4.895 1.00 0.89 H new ATOM 0 HG LEU A 10 -0.442 1.070 3.298 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -1.746 -1.018 3.450 1.00 1.45 H new ATOM 0 HD12 LEU A 10 -1.346 -0.370 5.059 1.00 1.45 H new ATOM 0 HD13 LEU A 10 -2.987 -0.166 4.400 1.00 1.45 H new ATOM 0 HD21 LEU A 10 -2.072 0.489 1.545 1.00 1.73 H new ATOM 0 HD22 LEU A 10 -3.329 1.395 2.421 1.00 1.73 H new ATOM 0 HD23 LEU A 10 -1.920 2.250 1.749 1.00 1.73 H new ATOM 141 N ALA A 11 -1.383 5.343 5.640 1.00 0.62 N ATOM 142 CA ALA A 11 -1.892 6.339 6.581 1.00 0.69 C ATOM 143 C ALA A 11 -2.400 7.561 5.833 1.00 0.63 C ATOM 144 O ALA A 11 -3.344 8.222 6.261 1.00 0.72 O ATOM 145 CB ALA A 11 -0.819 6.738 7.590 1.00 0.77 C ATOM 0 H ALA A 11 -0.378 5.178 5.695 1.00 0.62 H new ATOM 0 HA ALA A 11 -2.722 5.895 7.130 1.00 0.69 H new ATOM 0 HB1 ALA A 11 -1.224 7.480 8.278 1.00 0.77 H new ATOM 0 HB2 ALA A 11 -0.502 5.859 8.150 1.00 0.77 H new ATOM 0 HB3 ALA A 11 0.037 7.161 7.063 1.00 0.77 H new ATOM 151 N GLN A 12 -1.779 7.840 4.697 1.00 0.56 N ATOM 152 CA GLN A 12 -2.186 8.956 3.860 1.00 0.53 C ATOM 153 C GLN A 12 -3.466 8.619 3.119 1.00 0.52 C ATOM 154 O GLN A 12 -4.366 9.447 2.989 1.00 0.60 O ATOM 155 CB GLN A 12 -1.089 9.286 2.854 1.00 0.56 C ATOM 156 CG GLN A 12 0.230 9.617 3.512 1.00 0.52 C ATOM 157 CD GLN A 12 0.147 10.859 4.383 1.00 1.30 C ATOM 158 OE1 GLN A 12 -0.628 11.777 4.106 1.00 2.18 O ATOM 159 NE2 GLN A 12 0.924 10.887 5.453 1.00 1.88 N ATOM 0 H GLN A 12 -0.989 7.307 4.334 1.00 0.56 H new ATOM 0 HA GLN A 12 -2.360 9.821 4.500 1.00 0.53 H new ATOM 0 HB2 GLN A 12 -0.952 8.439 2.182 1.00 0.56 H new ATOM 0 HB3 GLN A 12 -1.406 10.130 2.242 1.00 0.56 H new ATOM 0 HG2 GLN A 12 0.552 8.771 4.120 1.00 0.52 H new ATOM 0 HG3 GLN A 12 0.989 9.765 2.744 1.00 0.52 H new ATOM 0 HE21 GLN A 12 1.552 10.107 5.648 1.00 1.88 H new ATOM 0 HE22 GLN A 12 0.895 11.688 6.083 1.00 1.88 H new ATOM 168 N CYS A 13 -3.540 7.391 2.644 1.00 0.52 N ATOM 169 CA CYS A 13 -4.674 6.942 1.859 1.00 0.56 C ATOM 170 C CYS A 13 -5.880 6.645 2.733 1.00 0.53 C ATOM 171 O CYS A 13 -7.004 6.697 2.253 1.00 0.56 O ATOM 172 CB CYS A 13 -4.287 5.711 1.049 1.00 0.69 C ATOM 173 SG CYS A 13 -2.888 5.990 -0.076 1.00 1.23 S ATOM 0 H CYS A 13 -2.822 6.681 2.789 1.00 0.52 H new ATOM 0 HA CYS A 13 -4.955 7.747 1.180 1.00 0.56 H new ATOM 0 HB2 CYS A 13 -4.036 4.900 1.733 1.00 0.69 H new ATOM 0 HB3 CYS A 13 -5.149 5.383 0.469 1.00 0.69 H new ATOM 178 N ILE A 14 -5.645 6.351 4.013 1.00 0.58 N ATOM 179 CA ILE A 14 -6.724 6.081 4.967 1.00 0.67 C ATOM 180 C ILE A 14 -7.806 7.163 4.916 1.00 0.67 C ATOM 181 O ILE A 14 -8.995 6.865 5.044 1.00 0.77 O ATOM 182 CB ILE A 14 -6.173 5.956 6.409 1.00 0.80 C ATOM 183 CG1 ILE A 14 -5.771 4.502 6.695 1.00 0.98 C ATOM 184 CG2 ILE A 14 -7.182 6.463 7.433 1.00 1.04 C ATOM 185 CD1 ILE A 14 -5.164 4.296 8.068 1.00 1.11 C ATOM 0 H ILE A 14 -4.710 6.293 4.416 1.00 0.58 H new ATOM 0 HA ILE A 14 -7.175 5.132 4.678 1.00 0.67 H new ATOM 0 HB ILE A 14 -5.285 6.583 6.495 1.00 0.80 H new ATOM 0 HG12 ILE A 14 -6.650 3.865 6.597 1.00 0.98 H new ATOM 0 HG13 ILE A 14 -5.056 4.177 5.939 1.00 0.98 H new ATOM 0 HG21 ILE A 14 -6.765 6.362 8.435 1.00 1.04 H new ATOM 0 HG22 ILE A 14 -7.404 7.512 7.237 1.00 1.04 H new ATOM 0 HG23 ILE A 14 -8.099 5.878 7.361 1.00 1.04 H new ATOM 0 HD11 ILE A 14 -4.905 3.245 8.198 1.00 1.11 H new ATOM 0 HD12 ILE A 14 -4.265 4.905 8.164 1.00 1.11 H new ATOM 0 HD13 ILE A 14 -5.884 4.589 8.832 1.00 1.11 H new ATOM 197 N GLY A 15 -7.396 8.409 4.676 1.00 0.66 N ATOM 198 CA GLY A 15 -8.350 9.509 4.627 1.00 0.76 C ATOM 199 C GLY A 15 -9.157 9.542 3.344 1.00 0.86 C ATOM 200 O GLY A 15 -9.713 10.570 2.957 1.00 1.45 O ATOM 0 H GLY A 15 -6.425 8.676 4.515 1.00 0.66 H new ATOM 0 HA2 GLY A 15 -9.030 9.429 5.475 1.00 0.76 H new ATOM 0 HA3 GLY A 15 -7.814 10.452 4.736 1.00 0.76 H new ATOM 204 N PHE A 16 -9.190 8.404 2.694 1.00 0.61 N ATOM 205 CA PHE A 16 -10.041 8.141 1.554 1.00 0.60 C ATOM 206 C PHE A 16 -10.437 6.673 1.599 1.00 0.60 C ATOM 207 O PHE A 16 -11.585 6.301 1.394 1.00 0.69 O ATOM 208 CB PHE A 16 -9.275 8.462 0.274 1.00 0.59 C ATOM 209 CG PHE A 16 -9.734 7.690 -0.938 1.00 0.62 C ATOM 210 CD1 PHE A 16 -10.758 8.173 -1.737 1.00 0.73 C ATOM 211 CD2 PHE A 16 -9.141 6.477 -1.275 1.00 0.71 C ATOM 212 CE1 PHE A 16 -11.183 7.464 -2.847 1.00 0.86 C ATOM 213 CE2 PHE A 16 -9.562 5.768 -2.382 1.00 0.85 C ATOM 214 CZ PHE A 16 -10.583 6.262 -3.170 1.00 0.91 C ATOM 0 H PHE A 16 -8.607 7.608 2.951 1.00 0.61 H new ATOM 0 HA PHE A 16 -10.938 8.760 1.577 1.00 0.60 H new ATOM 0 HB2 PHE A 16 -9.368 9.528 0.067 1.00 0.59 H new ATOM 0 HB3 PHE A 16 -8.216 8.261 0.438 1.00 0.59 H new ATOM 0 HD1 PHE A 16 -11.230 9.113 -1.491 1.00 0.73 H new ATOM 0 HD2 PHE A 16 -8.342 6.086 -0.663 1.00 0.71 H new ATOM 0 HE1 PHE A 16 -11.983 7.850 -3.461 1.00 0.86 H new ATOM 0 HE2 PHE A 16 -9.093 4.828 -2.632 1.00 0.85 H new ATOM 0 HZ PHE A 16 -10.912 5.709 -4.038 1.00 0.91 H new ATOM 224 N LEU A 17 -9.431 5.867 1.886 1.00 0.56 N ATOM 225 CA LEU A 17 -9.553 4.436 2.082 1.00 0.67 C ATOM 226 C LEU A 17 -10.662 4.105 3.085 1.00 0.79 C ATOM 227 O LEU A 17 -11.485 3.222 2.845 1.00 0.87 O ATOM 228 CB LEU A 17 -8.195 3.946 2.591 1.00 0.74 C ATOM 229 CG LEU A 17 -7.978 2.446 2.654 1.00 0.79 C ATOM 230 CD1 LEU A 17 -8.075 1.840 1.267 1.00 0.96 C ATOM 231 CD2 LEU A 17 -6.625 2.133 3.279 1.00 1.43 C ATOM 0 H LEU A 17 -8.474 6.204 1.992 1.00 0.56 H new ATOM 0 HA LEU A 17 -9.824 3.942 1.149 1.00 0.67 H new ATOM 0 HB2 LEU A 17 -7.421 4.373 1.953 1.00 0.74 H new ATOM 0 HB3 LEU A 17 -8.043 4.352 3.591 1.00 0.74 H new ATOM 0 HG LEU A 17 -8.757 2.007 3.278 1.00 0.79 H new ATOM 0 HD11 LEU A 17 -7.917 0.763 1.329 1.00 0.96 H new ATOM 0 HD12 LEU A 17 -9.063 2.039 0.851 1.00 0.96 H new ATOM 0 HD13 LEU A 17 -7.315 2.282 0.623 1.00 0.96 H new ATOM 0 HD21 LEU A 17 -6.483 1.053 3.318 1.00 1.43 H new ATOM 0 HD22 LEU A 17 -5.834 2.582 2.678 1.00 1.43 H new ATOM 0 HD23 LEU A 17 -6.588 2.540 4.289 1.00 1.43 H new ATOM 243 N GLN A 18 -10.674 4.824 4.202 1.00 0.87 N ATOM 244 CA GLN A 18 -11.665 4.642 5.236 1.00 1.07 C ATOM 245 C GLN A 18 -12.851 5.564 4.984 1.00 1.09 C ATOM 246 O GLN A 18 -14.001 5.130 4.935 1.00 1.20 O ATOM 247 CB GLN A 18 -11.027 4.963 6.584 1.00 1.25 C ATOM 248 CG GLN A 18 -11.990 4.892 7.735 1.00 1.08 C ATOM 249 CD GLN A 18 -11.470 5.599 8.966 1.00 1.33 C ATOM 250 OE1 GLN A 18 -10.748 6.591 8.866 1.00 1.73 O ATOM 251 NE2 GLN A 18 -11.821 5.089 10.132 1.00 2.00 N ATOM 0 H GLN A 18 -9.989 5.551 4.409 1.00 0.87 H new ATOM 0 HA GLN A 18 -12.022 3.612 5.234 1.00 1.07 H new ATOM 0 HB2 GLN A 18 -10.207 4.268 6.763 1.00 1.25 H new ATOM 0 HB3 GLN A 18 -10.595 5.963 6.544 1.00 1.25 H new ATOM 0 HG2 GLN A 18 -12.940 5.336 7.438 1.00 1.08 H new ATOM 0 HG3 GLN A 18 -12.188 3.847 7.976 1.00 1.08 H new ATOM 0 HE21 GLN A 18 -12.421 4.265 10.168 1.00 2.00 H new ATOM 0 HE22 GLN A 18 -11.492 5.519 10.996 1.00 2.00 H new ATOM 260 N LYS A 19 -12.550 6.844 4.832 1.00 1.06 N ATOM 261 CA LYS A 19 -13.551 7.848 4.526 1.00 1.21 C ATOM 262 C LYS A 19 -13.198 8.543 3.217 1.00 1.34 C ATOM 263 O LYS A 19 -12.323 9.403 3.179 1.00 2.08 O ATOM 264 CB LYS A 19 -13.669 8.846 5.676 1.00 1.41 C ATOM 265 CG LYS A 19 -12.338 9.300 6.245 1.00 1.98 C ATOM 266 CD LYS A 19 -12.552 10.224 7.425 1.00 2.69 C ATOM 267 CE LYS A 19 -11.237 10.666 8.055 1.00 3.29 C ATOM 268 NZ LYS A 19 -10.525 9.541 8.722 1.00 4.09 N ATOM 0 H LYS A 19 -11.603 7.214 4.918 1.00 1.06 H new ATOM 0 HA LYS A 19 -14.522 7.368 4.406 1.00 1.21 H new ATOM 0 HB2 LYS A 19 -14.220 9.720 5.329 1.00 1.41 H new ATOM 0 HB3 LYS A 19 -14.258 8.395 6.475 1.00 1.41 H new ATOM 0 HG2 LYS A 19 -11.754 8.433 6.556 1.00 1.98 H new ATOM 0 HG3 LYS A 19 -11.762 9.812 5.474 1.00 1.98 H new ATOM 0 HD2 LYS A 19 -13.111 11.102 7.100 1.00 2.69 H new ATOM 0 HD3 LYS A 19 -13.160 9.718 8.175 1.00 2.69 H new ATOM 0 HE2 LYS A 19 -10.594 11.095 7.286 1.00 3.29 H new ATOM 0 HE3 LYS A 19 -11.432 11.453 8.784 1.00 3.29 H new ATOM 0 HZ1 LYS A 19 -10.464 9.726 9.744 1.00 4.09 H new ATOM 0 HZ2 LYS A 19 -11.047 8.656 8.561 1.00 4.09 H new ATOM 0 HZ3 LYS A 19 -9.567 9.454 8.328 1.00 4.09 H new ATOM 282 N GLY A 20 -13.860 8.126 2.145 1.00 1.18 N ATOM 283 CA GLY A 20 -13.511 8.581 0.808 1.00 1.47 C ATOM 284 C GLY A 20 -13.811 10.045 0.544 1.00 1.29 C ATOM 285 O GLY A 20 -14.802 10.373 -0.109 1.00 1.99 O ATOM 0 H GLY A 20 -14.642 7.472 2.177 1.00 1.18 H new ATOM 0 HA2 GLY A 20 -12.448 8.406 0.644 1.00 1.47 H new ATOM 0 HA3 GLY A 20 -14.050 7.975 0.079 1.00 1.47 H new ATOM 289 N GLY A 21 -12.947 10.921 1.036 1.00 1.10 N ATOM 290 CA GLY A 21 -13.075 12.331 0.749 1.00 1.37 C ATOM 291 C GLY A 21 -12.444 12.690 -0.581 1.00 1.26 C ATOM 292 O GLY A 21 -13.105 13.230 -1.469 1.00 1.79 O ATOM 0 H GLY A 21 -12.156 10.676 1.632 1.00 1.10 H new ATOM 0 HA2 GLY A 21 -14.130 12.606 0.738 1.00 1.37 H new ATOM 0 HA3 GLY A 21 -12.603 12.909 1.544 1.00 1.37 H new ATOM 296 N VAL A 22 -11.161 12.373 -0.718 1.00 1.14 N ATOM 297 CA VAL A 22 -10.414 12.653 -1.936 1.00 1.00 C ATOM 298 C VAL A 22 -9.027 12.018 -1.847 1.00 0.82 C ATOM 299 O VAL A 22 -8.508 11.823 -0.748 1.00 0.87 O ATOM 300 CB VAL A 22 -10.280 14.181 -2.177 1.00 1.11 C ATOM 301 CG1 VAL A 22 -9.459 14.842 -1.078 1.00 1.92 C ATOM 302 CG2 VAL A 22 -9.681 14.470 -3.547 1.00 1.28 C ATOM 0 H VAL A 22 -10.612 11.916 0.010 1.00 1.14 H new ATOM 0 HA VAL A 22 -10.961 12.225 -2.777 1.00 1.00 H new ATOM 0 HB VAL A 22 -11.283 14.608 -2.150 1.00 1.11 H new ATOM 0 HG11 VAL A 22 -9.383 15.911 -1.274 1.00 1.92 H new ATOM 0 HG12 VAL A 22 -9.945 14.683 -0.115 1.00 1.92 H new ATOM 0 HG13 VAL A 22 -8.461 14.405 -1.057 1.00 1.92 H new ATOM 0 HG21 VAL A 22 -9.599 15.548 -3.688 1.00 1.28 H new ATOM 0 HG22 VAL A 22 -8.691 14.019 -3.614 1.00 1.28 H new ATOM 0 HG23 VAL A 22 -10.324 14.051 -4.321 1.00 1.28 H new ATOM 312 N VAL A 23 -8.444 11.671 -2.989 1.00 0.71 N ATOM 313 CA VAL A 23 -7.091 11.132 -3.014 1.00 0.58 C ATOM 314 C VAL A 23 -6.074 12.249 -3.206 1.00 0.54 C ATOM 315 O VAL A 23 -5.984 12.850 -4.280 1.00 0.58 O ATOM 316 CB VAL A 23 -6.896 10.082 -4.124 1.00 0.58 C ATOM 317 CG1 VAL A 23 -5.452 9.600 -4.168 1.00 0.51 C ATOM 318 CG2 VAL A 23 -7.835 8.914 -3.911 1.00 0.69 C ATOM 0 H VAL A 23 -8.885 11.753 -3.905 1.00 0.71 H new ATOM 0 HA VAL A 23 -6.935 10.643 -2.052 1.00 0.58 H new ATOM 0 HB VAL A 23 -7.127 10.549 -5.081 1.00 0.58 H new ATOM 0 HG11 VAL A 23 -5.340 8.859 -4.960 1.00 0.51 H new ATOM 0 HG12 VAL A 23 -4.792 10.445 -4.365 1.00 0.51 H new ATOM 0 HG13 VAL A 23 -5.189 9.150 -3.210 1.00 0.51 H new ATOM 0 HG21 VAL A 23 -7.687 8.179 -4.702 1.00 0.69 H new ATOM 0 HG22 VAL A 23 -7.629 8.453 -2.945 1.00 0.69 H new ATOM 0 HG23 VAL A 23 -8.866 9.267 -3.932 1.00 0.69 H new ATOM 328 N PRO A 24 -5.315 12.553 -2.155 1.00 0.54 N ATOM 329 CA PRO A 24 -4.253 13.554 -2.200 1.00 0.58 C ATOM 330 C PRO A 24 -2.995 13.032 -2.896 1.00 0.55 C ATOM 331 O PRO A 24 -2.780 11.817 -2.977 1.00 0.47 O ATOM 332 CB PRO A 24 -3.968 13.807 -0.718 1.00 0.67 C ATOM 333 CG PRO A 24 -4.285 12.508 -0.060 1.00 0.81 C ATOM 334 CD PRO A 24 -5.446 11.939 -0.822 1.00 0.59 C ATOM 0 HA PRO A 24 -4.543 14.442 -2.761 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -2.929 14.093 -0.555 1.00 0.67 H new ATOM 0 HB3 PRO A 24 -4.586 14.614 -0.325 1.00 0.67 H new ATOM 0 HG2 PRO A 24 -3.429 11.834 -0.091 1.00 0.81 H new ATOM 0 HG3 PRO A 24 -4.539 12.653 0.990 1.00 0.81 H new ATOM 0 HD2 PRO A 24 -5.398 10.851 -0.874 1.00 0.59 H new ATOM 0 HD3 PRO A 24 -6.397 12.194 -0.354 1.00 0.59 H new ATOM 342 N PRO A 25 -2.127 13.940 -3.377 1.00 0.65 N ATOM 343 CA PRO A 25 -0.838 13.568 -3.979 1.00 0.67 C ATOM 344 C PRO A 25 0.132 13.019 -2.935 1.00 0.66 C ATOM 345 O PRO A 25 1.287 12.718 -3.228 1.00 0.71 O ATOM 346 CB PRO A 25 -0.314 14.887 -4.556 1.00 0.81 C ATOM 347 CG PRO A 25 -0.979 15.947 -3.750 1.00 1.03 C ATOM 348 CD PRO A 25 -2.334 15.403 -3.382 1.00 0.81 C ATOM 0 HA PRO A 25 -0.943 12.781 -4.726 1.00 0.67 H new ATOM 0 HB2 PRO A 25 0.771 14.951 -4.475 1.00 0.81 H new ATOM 0 HB3 PRO A 25 -0.560 14.981 -5.614 1.00 0.81 H new ATOM 0 HG2 PRO A 25 -0.398 16.181 -2.858 1.00 1.03 H new ATOM 0 HG3 PRO A 25 -1.072 16.871 -4.321 1.00 1.03 H new ATOM 0 HD2 PRO A 25 -2.661 15.766 -2.408 1.00 0.81 H new ATOM 0 HD3 PRO A 25 -3.095 15.698 -4.104 1.00 0.81 H new ATOM 356 N SER A 26 -0.369 12.876 -1.722 1.00 0.68 N ATOM 357 CA SER A 26 0.399 12.382 -0.598 1.00 0.73 C ATOM 358 C SER A 26 0.244 10.878 -0.541 1.00 0.65 C ATOM 359 O SER A 26 1.218 10.129 -0.581 1.00 0.68 O ATOM 360 CB SER A 26 -0.143 12.999 0.685 1.00 0.83 C ATOM 361 OG SER A 26 -0.523 14.348 0.470 1.00 0.91 O ATOM 0 H SER A 26 -1.335 13.104 -1.488 1.00 0.68 H new ATOM 0 HA SER A 26 1.451 12.646 -0.708 1.00 0.73 H new ATOM 0 HB2 SER A 26 -1.001 12.426 1.036 1.00 0.83 H new ATOM 0 HB3 SER A 26 0.615 12.950 1.467 1.00 0.83 H new ATOM 0 HG SER A 26 -0.870 14.727 1.304 1.00 0.91 H new ATOM 367 N CYS A 27 -1.016 10.466 -0.458 1.00 0.58 N ATOM 368 CA CYS A 27 -1.395 9.070 -0.539 1.00 0.55 C ATOM 369 C CYS A 27 -0.747 8.425 -1.755 1.00 0.47 C ATOM 370 O CYS A 27 -0.036 7.436 -1.626 1.00 0.48 O ATOM 371 CB CYS A 27 -2.921 8.971 -0.612 1.00 0.57 C ATOM 372 SG CYS A 27 -3.558 7.429 -1.339 1.00 0.74 S ATOM 0 H CYS A 27 -1.805 11.100 -0.332 1.00 0.58 H new ATOM 0 HA CYS A 27 -1.049 8.538 0.347 1.00 0.55 H new ATOM 0 HB2 CYS A 27 -3.325 9.074 0.395 1.00 0.57 H new ATOM 0 HB3 CYS A 27 -3.297 9.812 -1.194 1.00 0.57 H new ATOM 377 N CYS A 28 -0.951 9.030 -2.926 1.00 0.42 N ATOM 378 CA CYS A 28 -0.348 8.534 -4.156 1.00 0.40 C ATOM 379 C CYS A 28 1.154 8.361 -3.988 1.00 0.45 C ATOM 380 O CYS A 28 1.695 7.274 -4.210 1.00 0.50 O ATOM 381 CB CYS A 28 -0.654 9.479 -5.325 1.00 0.45 C ATOM 382 SG CYS A 28 0.432 9.316 -6.799 1.00 1.40 S ATOM 0 H CYS A 28 -1.529 9.862 -3.045 1.00 0.42 H new ATOM 0 HA CYS A 28 -0.781 7.559 -4.379 1.00 0.40 H new ATOM 0 HB2 CYS A 28 -1.685 9.315 -5.638 1.00 0.45 H new ATOM 0 HB3 CYS A 28 -0.590 10.505 -4.963 1.00 0.45 H new ATOM 387 N THR A 29 1.820 9.423 -3.562 1.00 0.51 N ATOM 388 CA THR A 29 3.261 9.407 -3.421 1.00 0.58 C ATOM 389 C THR A 29 3.732 8.285 -2.492 1.00 0.54 C ATOM 390 O THR A 29 4.671 7.563 -2.822 1.00 0.56 O ATOM 391 CB THR A 29 3.777 10.766 -2.906 1.00 0.72 C ATOM 392 OG1 THR A 29 3.644 11.761 -3.931 1.00 0.79 O ATOM 393 CG2 THR A 29 5.225 10.680 -2.447 1.00 0.77 C ATOM 0 H THR A 29 1.381 10.308 -3.308 1.00 0.51 H new ATOM 0 HA THR A 29 3.676 9.220 -4.412 1.00 0.58 H new ATOM 0 HB THR A 29 3.172 11.048 -2.044 1.00 0.72 H new ATOM 0 HG1 THR A 29 2.906 12.365 -3.707 1.00 0.79 H new ATOM 0 HG21 THR A 29 5.553 11.657 -2.091 1.00 0.77 H new ATOM 0 HG22 THR A 29 5.308 9.953 -1.639 1.00 0.77 H new ATOM 0 HG23 THR A 29 5.853 10.368 -3.281 1.00 0.77 H new ATOM 401 N GLY A 30 3.072 8.133 -1.348 1.00 0.54 N ATOM 402 CA GLY A 30 3.451 7.094 -0.408 1.00 0.57 C ATOM 403 C GLY A 30 3.231 5.704 -0.968 1.00 0.47 C ATOM 404 O GLY A 30 4.062 4.810 -0.777 1.00 0.51 O ATOM 0 H GLY A 30 2.283 8.710 -1.056 1.00 0.54 H new ATOM 0 HA2 GLY A 30 4.501 7.214 -0.141 1.00 0.57 H new ATOM 0 HA3 GLY A 30 2.874 7.209 0.510 1.00 0.57 H new ATOM 408 N VAL A 31 2.114 5.523 -1.664 1.00 0.41 N ATOM 409 CA VAL A 31 1.823 4.255 -2.318 1.00 0.44 C ATOM 410 C VAL A 31 2.885 3.939 -3.356 1.00 0.39 C ATOM 411 O VAL A 31 3.514 2.880 -3.315 1.00 0.40 O ATOM 412 CB VAL A 31 0.446 4.260 -3.015 1.00 0.56 C ATOM 413 CG1 VAL A 31 0.182 2.922 -3.678 1.00 0.68 C ATOM 414 CG2 VAL A 31 -0.658 4.584 -2.031 1.00 0.65 C ATOM 0 H VAL A 31 1.397 6.238 -1.789 1.00 0.41 H new ATOM 0 HA VAL A 31 1.815 3.496 -1.536 1.00 0.44 H new ATOM 0 HB VAL A 31 0.459 5.035 -3.782 1.00 0.56 H new ATOM 0 HG11 VAL A 31 -0.793 2.943 -4.165 1.00 0.68 H new ATOM 0 HG12 VAL A 31 0.954 2.726 -4.422 1.00 0.68 H new ATOM 0 HG13 VAL A 31 0.195 2.134 -2.925 1.00 0.68 H new ATOM 0 HG21 VAL A 31 -1.618 4.581 -2.547 1.00 0.65 H new ATOM 0 HG22 VAL A 31 -0.670 3.836 -1.238 1.00 0.65 H new ATOM 0 HG23 VAL A 31 -0.482 5.569 -1.598 1.00 0.65 H new ATOM 424 N LYS A 32 3.101 4.878 -4.268 1.00 0.40 N ATOM 425 CA LYS A 32 4.076 4.697 -5.330 1.00 0.46 C ATOM 426 C LYS A 32 5.473 4.534 -4.737 1.00 0.44 C ATOM 427 O LYS A 32 6.339 3.885 -5.320 1.00 0.49 O ATOM 428 CB LYS A 32 4.038 5.877 -6.308 1.00 0.58 C ATOM 429 CG LYS A 32 5.053 5.773 -7.438 1.00 1.05 C ATOM 430 CD LYS A 32 4.827 6.832 -8.508 1.00 1.14 C ATOM 431 CE LYS A 32 3.561 6.558 -9.309 1.00 1.31 C ATOM 432 NZ LYS A 32 3.371 7.545 -10.404 1.00 1.54 N ATOM 0 H LYS A 32 2.612 5.773 -4.292 1.00 0.40 H new ATOM 0 HA LYS A 32 3.824 3.792 -5.883 1.00 0.46 H new ATOM 0 HB2 LYS A 32 3.038 5.950 -6.736 1.00 0.58 H new ATOM 0 HB3 LYS A 32 4.216 6.800 -5.756 1.00 0.58 H new ATOM 0 HG2 LYS A 32 6.059 5.877 -7.032 1.00 1.05 H new ATOM 0 HG3 LYS A 32 4.992 4.783 -7.890 1.00 1.05 H new ATOM 0 HD2 LYS A 32 4.757 7.814 -8.040 1.00 1.14 H new ATOM 0 HD3 LYS A 32 5.685 6.860 -9.180 1.00 1.14 H new ATOM 0 HE2 LYS A 32 3.609 5.554 -9.730 1.00 1.31 H new ATOM 0 HE3 LYS A 32 2.698 6.584 -8.644 1.00 1.31 H new ATOM 0 HZ1 LYS A 32 2.498 7.323 -10.924 1.00 1.54 H new ATOM 0 HZ2 LYS A 32 3.300 8.501 -10.001 1.00 1.54 H new ATOM 0 HZ3 LYS A 32 4.182 7.503 -11.054 1.00 1.54 H new ATOM 446 N ASN A 33 5.678 5.111 -3.560 1.00 0.41 N ATOM 447 CA ASN A 33 6.952 4.998 -2.862 1.00 0.44 C ATOM 448 C ASN A 33 7.191 3.561 -2.419 1.00 0.39 C ATOM 449 O ASN A 33 8.203 2.965 -2.759 1.00 0.46 O ATOM 450 CB ASN A 33 6.992 5.928 -1.641 1.00 0.52 C ATOM 451 CG ASN A 33 8.364 5.978 -0.991 1.00 1.19 C ATOM 452 OD1 ASN A 33 8.591 5.122 -0.006 1.00 2.11 O flip ATOM 453 ND2 ASN A 33 9.210 6.788 -1.364 1.00 1.58 N flip ATOM 0 H ASN A 33 4.976 5.664 -3.068 1.00 0.41 H new ATOM 0 HA ASN A 33 7.740 5.295 -3.554 1.00 0.44 H new ATOM 0 HB2 ASN A 33 6.701 6.934 -1.945 1.00 0.52 H new ATOM 0 HB3 ASN A 33 6.259 5.592 -0.908 1.00 0.52 H new ATOM 0 HD21 ASN A 33 8.998 7.432 -2.126 1.00 1.58 H new ATOM 0 HD22 ASN A 33 10.124 6.816 -0.911 1.00 1.58 H new ATOM 460 N ILE A 34 6.249 3.004 -1.670 1.00 0.36 N ATOM 461 CA ILE A 34 6.352 1.628 -1.197 1.00 0.40 C ATOM 462 C ILE A 34 6.398 0.630 -2.357 1.00 0.48 C ATOM 463 O ILE A 34 6.943 -0.464 -2.229 1.00 0.57 O ATOM 464 CB ILE A 34 5.181 1.321 -0.222 1.00 0.48 C ATOM 465 CG1 ILE A 34 5.627 1.584 1.215 1.00 0.61 C ATOM 466 CG2 ILE A 34 4.651 -0.100 -0.366 1.00 0.65 C ATOM 467 CD1 ILE A 34 6.402 2.872 1.378 1.00 0.58 C ATOM 0 H ILE A 34 5.400 3.486 -1.375 1.00 0.36 H new ATOM 0 HA ILE A 34 7.293 1.517 -0.658 1.00 0.40 H new ATOM 0 HB ILE A 34 4.357 1.986 -0.481 1.00 0.48 H new ATOM 0 HG12 ILE A 34 4.749 1.613 1.860 1.00 0.61 H new ATOM 0 HG13 ILE A 34 6.244 0.752 1.554 1.00 0.61 H new ATOM 0 HG21 ILE A 34 3.835 -0.257 0.339 1.00 0.65 H new ATOM 0 HG22 ILE A 34 4.287 -0.251 -1.382 1.00 0.65 H new ATOM 0 HG23 ILE A 34 5.452 -0.810 -0.158 1.00 0.65 H new ATOM 0 HD11 ILE A 34 6.687 2.995 2.423 1.00 0.58 H new ATOM 0 HD12 ILE A 34 7.298 2.838 0.759 1.00 0.58 H new ATOM 0 HD13 ILE A 34 5.780 3.712 1.070 1.00 0.58 H new ATOM 479 N LEU A 35 5.865 1.029 -3.498 1.00 0.56 N ATOM 480 CA LEU A 35 5.780 0.135 -4.638 1.00 0.79 C ATOM 481 C LEU A 35 6.972 0.272 -5.580 1.00 0.93 C ATOM 482 O LEU A 35 7.576 -0.725 -5.972 1.00 1.31 O ATOM 483 CB LEU A 35 4.468 0.381 -5.382 1.00 1.04 C ATOM 484 CG LEU A 35 3.213 0.086 -4.560 1.00 1.16 C ATOM 485 CD1 LEU A 35 1.966 0.292 -5.397 1.00 1.36 C ATOM 486 CD2 LEU A 35 3.258 -1.327 -3.998 1.00 1.93 C ATOM 0 H LEU A 35 5.486 1.962 -3.659 1.00 0.56 H new ATOM 0 HA LEU A 35 5.802 -0.888 -4.262 1.00 0.79 H new ATOM 0 HB2 LEU A 35 4.438 1.421 -5.708 1.00 1.04 H new ATOM 0 HB3 LEU A 35 4.453 -0.236 -6.281 1.00 1.04 H new ATOM 0 HG LEU A 35 3.181 0.783 -3.723 1.00 1.16 H new ATOM 0 HD11 LEU A 35 1.084 0.077 -4.794 1.00 1.36 H new ATOM 0 HD12 LEU A 35 1.926 1.325 -5.743 1.00 1.36 H new ATOM 0 HD13 LEU A 35 1.990 -0.378 -6.257 1.00 1.36 H new ATOM 0 HD21 LEU A 35 2.356 -1.516 -3.416 1.00 1.93 H new ATOM 0 HD22 LEU A 35 3.318 -2.043 -4.818 1.00 1.93 H new ATOM 0 HD23 LEU A 35 4.132 -1.436 -3.356 1.00 1.93 H new ATOM 498 N ASN A 36 7.314 1.494 -5.940 1.00 0.89 N ATOM 499 CA ASN A 36 8.396 1.734 -6.887 1.00 1.06 C ATOM 500 C ASN A 36 9.665 2.180 -6.185 1.00 1.01 C ATOM 501 O ASN A 36 10.751 1.679 -6.473 1.00 1.13 O ATOM 502 CB ASN A 36 7.991 2.782 -7.923 1.00 1.21 C ATOM 503 CG ASN A 36 7.128 2.202 -9.027 1.00 1.58 C ATOM 504 OD1 ASN A 36 5.819 2.244 -8.849 1.00 2.45 O flip ATOM 505 ND2 ASN A 36 7.638 1.718 -10.039 1.00 1.81 N flip ATOM 0 H ASN A 36 6.861 2.339 -5.593 1.00 0.89 H new ATOM 0 HA ASN A 36 8.594 0.788 -7.391 1.00 1.06 H new ATOM 0 HB2 ASN A 36 7.449 3.588 -7.428 1.00 1.21 H new ATOM 0 HB3 ASN A 36 8.887 3.222 -8.360 1.00 1.21 H new ATOM 0 HD21 ASN A 36 8.653 1.703 -10.141 1.00 1.81 H new ATOM 0 HD22 ASN A 36 7.045 1.332 -10.774 1.00 1.81 H new ATOM 512 N SER A 37 9.528 3.116 -5.260 1.00 0.90 N ATOM 513 CA SER A 37 10.681 3.689 -4.579 1.00 0.98 C ATOM 514 C SER A 37 11.172 2.794 -3.439 1.00 0.84 C ATOM 515 O SER A 37 12.083 3.168 -2.697 1.00 0.94 O ATOM 516 CB SER A 37 10.335 5.083 -4.059 1.00 1.05 C ATOM 517 OG SER A 37 9.931 5.927 -5.125 1.00 1.55 O ATOM 0 H SER A 37 8.630 3.496 -4.962 1.00 0.90 H new ATOM 0 HA SER A 37 11.495 3.766 -5.300 1.00 0.98 H new ATOM 0 HB2 SER A 37 9.537 5.014 -3.320 1.00 1.05 H new ATOM 0 HB3 SER A 37 11.200 5.514 -3.554 1.00 1.05 H new ATOM 0 HG SER A 37 9.711 6.815 -4.774 1.00 1.55 H new ATOM 523 N SER A 38 10.561 1.624 -3.293 1.00 0.67 N ATOM 524 CA SER A 38 11.039 0.625 -2.354 1.00 0.58 C ATOM 525 C SER A 38 12.460 0.208 -2.743 1.00 0.67 C ATOM 526 O SER A 38 13.390 0.267 -1.932 1.00 1.22 O ATOM 527 CB SER A 38 10.097 -0.576 -2.376 1.00 0.54 C ATOM 528 OG SER A 38 9.746 -0.923 -3.709 1.00 1.43 O ATOM 0 H SER A 38 9.731 1.346 -3.817 1.00 0.67 H new ATOM 0 HA SER A 38 11.059 1.034 -1.344 1.00 0.58 H new ATOM 0 HB2 SER A 38 10.574 -1.426 -1.889 1.00 0.54 H new ATOM 0 HB3 SER A 38 9.196 -0.347 -1.807 1.00 0.54 H new ATOM 0 HG SER A 38 9.143 -1.696 -3.698 1.00 1.43 H new ATOM 534 N ARG A 39 12.591 -0.206 -4.003 1.00 0.87 N ATOM 535 CA ARG A 39 13.877 -0.482 -4.646 1.00 1.08 C ATOM 536 C ARG A 39 14.442 -1.846 -4.259 1.00 0.84 C ATOM 537 O ARG A 39 14.673 -2.692 -5.124 1.00 1.22 O ATOM 538 CB ARG A 39 14.908 0.614 -4.337 1.00 1.40 C ATOM 539 CG ARG A 39 16.215 0.441 -5.088 1.00 1.90 C ATOM 540 CD ARG A 39 17.244 1.487 -4.686 1.00 2.25 C ATOM 541 NE ARG A 39 18.466 1.369 -5.477 1.00 2.89 N ATOM 542 CZ ARG A 39 19.643 1.886 -5.130 1.00 3.60 C ATOM 543 NH1 ARG A 39 19.777 2.549 -3.988 1.00 3.87 N ATOM 544 NH2 ARG A 39 20.690 1.733 -5.931 1.00 4.47 N ATOM 0 H ARG A 39 11.792 -0.362 -4.617 1.00 0.87 H new ATOM 0 HA ARG A 39 13.682 -0.492 -5.718 1.00 1.08 H new ATOM 0 HB2 ARG A 39 14.480 1.585 -4.586 1.00 1.40 H new ATOM 0 HB3 ARG A 39 15.111 0.620 -3.266 1.00 1.40 H new ATOM 0 HG2 ARG A 39 16.615 -0.554 -4.895 1.00 1.90 H new ATOM 0 HG3 ARG A 39 16.029 0.508 -6.160 1.00 1.90 H new ATOM 0 HD2 ARG A 39 16.821 2.483 -4.815 1.00 2.25 H new ATOM 0 HD3 ARG A 39 17.482 1.376 -3.628 1.00 2.25 H new ATOM 0 HE ARG A 39 18.414 0.855 -6.356 1.00 2.89 H new ATOM 0 HH11 ARG A 39 18.975 2.666 -3.369 1.00 3.87 H new ATOM 0 HH12 ARG A 39 20.682 2.942 -3.730 1.00 3.87 H new ATOM 0 HH21 ARG A 39 20.591 1.221 -6.808 1.00 4.47 H new ATOM 0 HH22 ARG A 39 21.594 2.127 -5.670 1.00 4.47 H new ATOM 558 N THR A 40 14.652 -2.071 -2.972 1.00 0.62 N ATOM 559 CA THR A 40 15.385 -3.249 -2.534 1.00 0.70 C ATOM 560 C THR A 40 14.463 -4.447 -2.345 1.00 0.75 C ATOM 561 O THR A 40 13.243 -4.306 -2.284 1.00 0.61 O ATOM 562 CB THR A 40 16.166 -2.994 -1.226 1.00 0.88 C ATOM 563 OG1 THR A 40 15.290 -3.069 -0.097 1.00 1.59 O ATOM 564 CG2 THR A 40 16.836 -1.629 -1.261 1.00 1.25 C ATOM 0 H THR A 40 14.330 -1.462 -2.220 1.00 0.62 H new ATOM 0 HA THR A 40 16.099 -3.472 -3.327 1.00 0.70 H new ATOM 0 HB THR A 40 16.933 -3.764 -1.135 1.00 0.88 H new ATOM 0 HG1 THR A 40 15.255 -2.197 0.349 1.00 1.59 H new ATOM 0 HG21 THR A 40 17.381 -1.467 -0.331 1.00 1.25 H new ATOM 0 HG22 THR A 40 17.530 -1.586 -2.101 1.00 1.25 H new ATOM 0 HG23 THR A 40 16.078 -0.854 -1.376 1.00 1.25 H new ATOM 572 N THR A 41 15.064 -5.624 -2.261 1.00 1.03 N ATOM 573 CA THR A 41 14.332 -6.856 -2.023 1.00 1.16 C ATOM 574 C THR A 41 13.656 -6.820 -0.656 1.00 1.04 C ATOM 575 O THR A 41 12.490 -7.201 -0.509 1.00 0.97 O ATOM 576 CB THR A 41 15.289 -8.053 -2.085 1.00 1.58 C ATOM 577 OG1 THR A 41 16.003 -8.030 -3.327 1.00 1.79 O ATOM 578 CG2 THR A 41 14.540 -9.370 -1.953 1.00 1.73 C ATOM 0 H THR A 41 16.072 -5.751 -2.356 1.00 1.03 H new ATOM 0 HA THR A 41 13.569 -6.958 -2.794 1.00 1.16 H new ATOM 0 HB THR A 41 15.986 -7.975 -1.251 1.00 1.58 H new ATOM 0 HG1 THR A 41 16.616 -8.794 -3.366 1.00 1.79 H new ATOM 0 HG21 THR A 41 15.248 -10.198 -2.001 1.00 1.73 H new ATOM 0 HG22 THR A 41 14.015 -9.396 -0.998 1.00 1.73 H new ATOM 0 HG23 THR A 41 13.819 -9.462 -2.765 1.00 1.73 H new ATOM 586 N ALA A 42 14.392 -6.339 0.338 1.00 1.12 N ATOM 587 CA ALA A 42 13.860 -6.201 1.684 1.00 1.18 C ATOM 588 C ALA A 42 12.757 -5.152 1.696 1.00 0.98 C ATOM 589 O ALA A 42 11.822 -5.222 2.485 1.00 1.13 O ATOM 590 CB ALA A 42 14.965 -5.826 2.659 1.00 1.41 C ATOM 0 H ALA A 42 15.361 -6.038 0.235 1.00 1.12 H new ATOM 0 HA ALA A 42 13.442 -7.157 1.999 1.00 1.18 H new ATOM 0 HB1 ALA A 42 14.548 -5.727 3.661 1.00 1.41 H new ATOM 0 HB2 ALA A 42 15.729 -6.603 2.659 1.00 1.41 H new ATOM 0 HB3 ALA A 42 15.411 -4.879 2.357 1.00 1.41 H new ATOM 596 N ASP A 43 12.859 -4.199 0.784 1.00 0.74 N ATOM 597 CA ASP A 43 11.867 -3.139 0.674 1.00 0.67 C ATOM 598 C ASP A 43 10.669 -3.590 -0.146 1.00 0.64 C ATOM 599 O ASP A 43 9.742 -2.821 -0.372 1.00 0.93 O ATOM 600 CB ASP A 43 12.482 -1.882 0.058 1.00 0.63 C ATOM 601 CG ASP A 43 13.095 -0.955 1.091 1.00 1.00 C ATOM 602 OD1 ASP A 43 12.367 -0.102 1.641 1.00 1.72 O ATOM 603 OD2 ASP A 43 14.314 -1.072 1.361 1.00 1.18 O ATOM 0 H ASP A 43 13.620 -4.137 0.107 1.00 0.74 H new ATOM 0 HA ASP A 43 11.524 -2.904 1.681 1.00 0.67 H new ATOM 0 HB2 ASP A 43 13.248 -2.174 -0.661 1.00 0.63 H new ATOM 0 HB3 ASP A 43 11.714 -1.342 -0.496 1.00 0.63 H new ATOM 608 N ARG A 44 10.693 -4.838 -0.592 1.00 0.54 N ATOM 609 CA ARG A 44 9.575 -5.410 -1.331 1.00 0.61 C ATOM 610 C ARG A 44 8.881 -6.491 -0.514 1.00 0.67 C ATOM 611 O ARG A 44 7.681 -6.422 -0.256 1.00 0.93 O ATOM 612 CB ARG A 44 10.042 -6.002 -2.662 1.00 0.76 C ATOM 613 CG ARG A 44 10.409 -4.968 -3.710 1.00 1.39 C ATOM 614 CD ARG A 44 10.883 -5.637 -4.991 1.00 1.53 C ATOM 615 NE ARG A 44 11.178 -4.670 -6.047 1.00 1.70 N ATOM 616 CZ ARG A 44 12.248 -4.740 -6.837 1.00 2.01 C ATOM 617 NH1 ARG A 44 13.125 -5.723 -6.682 1.00 2.34 N ATOM 618 NH2 ARG A 44 12.440 -3.833 -7.785 1.00 2.70 N ATOM 0 H ARG A 44 11.477 -5.476 -0.455 1.00 0.54 H new ATOM 0 HA ARG A 44 8.869 -4.604 -1.530 1.00 0.61 H new ATOM 0 HB2 ARG A 44 10.907 -6.640 -2.479 1.00 0.76 H new ATOM 0 HB3 ARG A 44 9.253 -6.641 -3.059 1.00 0.76 H new ATOM 0 HG2 ARG A 44 9.546 -4.338 -3.922 1.00 1.39 H new ATOM 0 HG3 ARG A 44 11.193 -4.316 -3.324 1.00 1.39 H new ATOM 0 HD2 ARG A 44 11.776 -6.226 -4.781 1.00 1.53 H new ATOM 0 HD3 ARG A 44 10.118 -6.331 -5.340 1.00 1.53 H new ATOM 0 HE ARG A 44 10.527 -3.897 -6.187 1.00 1.70 H new ATOM 0 HH11 ARG A 44 12.980 -6.426 -5.957 1.00 2.34 H new ATOM 0 HH12 ARG A 44 13.944 -5.776 -7.287 1.00 2.34 H new ATOM 0 HH21 ARG A 44 11.767 -3.077 -7.912 1.00 2.70 H new ATOM 0 HH22 ARG A 44 13.261 -3.891 -8.387 1.00 2.70 H new ATOM 632 N ARG A 45 9.642 -7.487 -0.099 1.00 0.66 N ATOM 633 CA ARG A 45 9.071 -8.629 0.601 1.00 0.72 C ATOM 634 C ARG A 45 8.673 -8.254 2.023 1.00 0.76 C ATOM 635 O ARG A 45 7.591 -8.612 2.487 1.00 1.28 O ATOM 636 CB ARG A 45 10.056 -9.803 0.596 1.00 0.88 C ATOM 637 CG ARG A 45 10.454 -10.232 -0.810 1.00 1.16 C ATOM 638 CD ARG A 45 11.463 -11.365 -0.803 1.00 1.34 C ATOM 639 NE ARG A 45 12.048 -11.565 -2.130 1.00 1.99 N ATOM 640 CZ ARG A 45 12.701 -12.664 -2.509 1.00 2.61 C ATOM 641 NH1 ARG A 45 12.758 -13.723 -1.714 1.00 2.84 N ATOM 642 NH2 ARG A 45 13.270 -12.709 -3.705 1.00 3.54 N ATOM 0 H ARG A 45 10.652 -7.531 -0.232 1.00 0.66 H new ATOM 0 HA ARG A 45 8.167 -8.938 0.076 1.00 0.72 H new ATOM 0 HB2 ARG A 45 10.950 -9.524 1.153 1.00 0.88 H new ATOM 0 HB3 ARG A 45 9.608 -10.650 1.116 1.00 0.88 H new ATOM 0 HG2 ARG A 45 9.565 -10.544 -1.358 1.00 1.16 H new ATOM 0 HG3 ARG A 45 10.873 -9.378 -1.343 1.00 1.16 H new ATOM 0 HD2 ARG A 45 12.253 -11.147 -0.084 1.00 1.34 H new ATOM 0 HD3 ARG A 45 10.978 -12.284 -0.475 1.00 1.34 H new ATOM 0 HE ARG A 45 11.949 -10.812 -2.811 1.00 1.99 H new ATOM 0 HH11 ARG A 45 12.300 -13.702 -0.803 1.00 2.84 H new ATOM 0 HH12 ARG A 45 13.260 -14.559 -2.013 1.00 2.84 H new ATOM 0 HH21 ARG A 45 13.207 -11.906 -4.330 1.00 3.54 H new ATOM 0 HH22 ARG A 45 13.771 -13.547 -4.000 1.00 3.54 H new ATOM 656 N ALA A 46 9.528 -7.500 2.699 1.00 0.51 N ATOM 657 CA ALA A 46 9.249 -7.080 4.065 1.00 0.53 C ATOM 658 C ALA A 46 8.190 -5.986 4.089 1.00 0.44 C ATOM 659 O ALA A 46 7.395 -5.904 5.025 1.00 0.53 O ATOM 660 CB ALA A 46 10.517 -6.607 4.756 1.00 0.64 C ATOM 0 H ALA A 46 10.417 -7.168 2.326 1.00 0.51 H new ATOM 0 HA ALA A 46 8.864 -7.943 4.609 1.00 0.53 H new ATOM 0 HB1 ALA A 46 10.283 -6.299 5.775 1.00 0.64 H new ATOM 0 HB2 ALA A 46 11.243 -7.420 4.781 1.00 0.64 H new ATOM 0 HB3 ALA A 46 10.936 -5.763 4.209 1.00 0.64 H new ATOM 666 N VAL A 47 8.165 -5.152 3.048 1.00 0.35 N ATOM 667 CA VAL A 47 7.211 -4.053 2.991 1.00 0.38 C ATOM 668 C VAL A 47 5.790 -4.597 2.910 1.00 0.42 C ATOM 669 O VAL A 47 4.867 -4.051 3.516 1.00 0.50 O ATOM 670 CB VAL A 47 7.486 -3.084 1.809 1.00 0.45 C ATOM 671 CG1 VAL A 47 6.985 -3.636 0.486 1.00 0.50 C ATOM 672 CG2 VAL A 47 6.866 -1.730 2.070 1.00 0.70 C ATOM 0 H VAL A 47 8.788 -5.218 2.243 1.00 0.35 H new ATOM 0 HA VAL A 47 7.330 -3.476 3.908 1.00 0.38 H new ATOM 0 HB VAL A 47 8.568 -2.976 1.735 1.00 0.45 H new ATOM 0 HG11 VAL A 47 7.200 -2.923 -0.310 1.00 0.50 H new ATOM 0 HG12 VAL A 47 7.486 -4.580 0.273 1.00 0.50 H new ATOM 0 HG13 VAL A 47 5.909 -3.801 0.545 1.00 0.50 H new ATOM 0 HG21 VAL A 47 7.071 -1.068 1.229 1.00 0.70 H new ATOM 0 HG22 VAL A 47 5.788 -1.840 2.190 1.00 0.70 H new ATOM 0 HG23 VAL A 47 7.291 -1.304 2.979 1.00 0.70 H new ATOM 682 N CYS A 48 5.625 -5.703 2.194 1.00 0.44 N ATOM 683 CA CYS A 48 4.331 -6.348 2.084 1.00 0.56 C ATOM 684 C CYS A 48 3.958 -6.973 3.426 1.00 0.59 C ATOM 685 O CYS A 48 2.799 -6.948 3.839 1.00 0.68 O ATOM 686 CB CYS A 48 4.359 -7.409 0.976 1.00 0.68 C ATOM 687 SG CYS A 48 2.828 -8.383 0.824 1.00 1.78 S ATOM 0 H CYS A 48 6.374 -6.169 1.682 1.00 0.44 H new ATOM 0 HA CYS A 48 3.577 -5.606 1.821 1.00 0.56 H new ATOM 0 HB2 CYS A 48 4.557 -6.917 0.024 1.00 0.68 H new ATOM 0 HB3 CYS A 48 5.190 -8.089 1.163 1.00 0.68 H new ATOM 692 N SER A 49 4.962 -7.491 4.126 1.00 0.59 N ATOM 693 CA SER A 49 4.759 -8.076 5.447 1.00 0.73 C ATOM 694 C SER A 49 4.369 -7.020 6.492 1.00 0.73 C ATOM 695 O SER A 49 4.061 -7.357 7.631 1.00 0.96 O ATOM 696 CB SER A 49 6.018 -8.821 5.889 1.00 0.84 C ATOM 697 OG SER A 49 6.390 -9.795 4.927 1.00 1.41 O ATOM 0 H SER A 49 5.928 -7.518 3.799 1.00 0.59 H new ATOM 0 HA SER A 49 3.929 -8.779 5.372 1.00 0.73 H new ATOM 0 HB2 SER A 49 6.834 -8.113 6.031 1.00 0.84 H new ATOM 0 HB3 SER A 49 5.843 -9.302 6.851 1.00 0.84 H new ATOM 0 HG SER A 49 6.778 -9.350 4.144 1.00 1.41 H new ATOM 703 N CYS A 50 4.400 -5.745 6.110 1.00 0.57 N ATOM 704 CA CYS A 50 3.881 -4.678 6.966 1.00 0.60 C ATOM 705 C CYS A 50 2.518 -4.226 6.458 1.00 0.55 C ATOM 706 O CYS A 50 1.635 -3.862 7.237 1.00 0.59 O ATOM 707 CB CYS A 50 4.840 -3.488 7.000 1.00 0.63 C ATOM 708 SG CYS A 50 4.184 -2.010 7.851 1.00 1.11 S ATOM 0 H CYS A 50 4.777 -5.425 5.218 1.00 0.57 H new ATOM 0 HA CYS A 50 3.782 -5.069 7.979 1.00 0.60 H new ATOM 0 HB2 CYS A 50 5.763 -3.795 7.492 1.00 0.63 H new ATOM 0 HB3 CYS A 50 5.099 -3.217 5.977 1.00 0.63 H new ATOM 713 N LEU A 51 2.358 -4.275 5.140 1.00 0.51 N ATOM 714 CA LEU A 51 1.109 -3.907 4.487 1.00 0.55 C ATOM 715 C LEU A 51 -0.050 -4.723 5.055 1.00 0.63 C ATOM 716 O LEU A 51 -1.182 -4.248 5.137 1.00 0.63 O ATOM 717 CB LEU A 51 1.235 -4.146 2.979 1.00 0.66 C ATOM 718 CG LEU A 51 0.103 -3.580 2.122 1.00 0.77 C ATOM 719 CD1 LEU A 51 0.169 -2.061 2.090 1.00 1.33 C ATOM 720 CD2 LEU A 51 0.161 -4.148 0.712 1.00 1.33 C ATOM 0 H LEU A 51 3.091 -4.571 4.495 1.00 0.51 H new ATOM 0 HA LEU A 51 0.907 -2.852 4.671 1.00 0.55 H new ATOM 0 HB2 LEU A 51 2.175 -3.713 2.638 1.00 0.66 H new ATOM 0 HB3 LEU A 51 1.297 -5.220 2.804 1.00 0.66 H new ATOM 0 HG LEU A 51 -0.846 -3.875 2.569 1.00 0.77 H new ATOM 0 HD11 LEU A 51 -0.644 -1.674 1.476 1.00 1.33 H new ATOM 0 HD12 LEU A 51 0.075 -1.671 3.104 1.00 1.33 H new ATOM 0 HD13 LEU A 51 1.124 -1.747 1.668 1.00 1.33 H new ATOM 0 HD21 LEU A 51 -0.653 -3.732 0.119 1.00 1.33 H new ATOM 0 HD22 LEU A 51 1.115 -3.886 0.253 1.00 1.33 H new ATOM 0 HD23 LEU A 51 0.063 -5.233 0.752 1.00 1.33 H new ATOM 732 N LYS A 52 0.261 -5.947 5.467 1.00 0.80 N ATOM 733 CA LYS A 52 -0.719 -6.864 6.028 1.00 0.99 C ATOM 734 C LYS A 52 -1.426 -6.281 7.255 1.00 0.92 C ATOM 735 O LYS A 52 -2.651 -6.325 7.342 1.00 1.02 O ATOM 736 CB LYS A 52 -0.031 -8.178 6.395 1.00 1.32 C ATOM 737 CG LYS A 52 0.585 -8.896 5.202 1.00 1.40 C ATOM 738 CD LYS A 52 1.437 -10.076 5.638 1.00 1.78 C ATOM 739 CE LYS A 52 0.639 -11.059 6.478 1.00 1.79 C ATOM 740 NZ LYS A 52 -0.426 -11.734 5.690 1.00 2.30 N ATOM 0 H LYS A 52 1.205 -6.331 5.420 1.00 0.80 H new ATOM 0 HA LYS A 52 -1.484 -7.038 5.271 1.00 0.99 H new ATOM 0 HB2 LYS A 52 0.748 -7.978 7.130 1.00 1.32 H new ATOM 0 HB3 LYS A 52 -0.756 -8.838 6.871 1.00 1.32 H new ATOM 0 HG2 LYS A 52 -0.206 -9.244 4.538 1.00 1.40 H new ATOM 0 HG3 LYS A 52 1.196 -8.197 4.631 1.00 1.40 H new ATOM 0 HD2 LYS A 52 1.833 -10.585 4.759 1.00 1.78 H new ATOM 0 HD3 LYS A 52 2.292 -9.717 6.211 1.00 1.78 H new ATOM 0 HE2 LYS A 52 1.312 -11.809 6.894 1.00 1.79 H new ATOM 0 HE3 LYS A 52 0.188 -10.533 7.320 1.00 1.79 H new ATOM 0 HZ1 LYS A 52 -0.912 -12.432 6.289 1.00 2.30 H new ATOM 0 HZ2 LYS A 52 -1.112 -11.027 5.356 1.00 2.30 H new ATOM 0 HZ3 LYS A 52 -0.000 -12.216 4.873 1.00 2.30 H new ATOM 754 N ALA A 53 -0.664 -5.744 8.206 1.00 0.88 N ATOM 755 CA ALA A 53 -1.259 -5.191 9.419 1.00 0.95 C ATOM 756 C ALA A 53 -1.670 -3.743 9.229 1.00 0.91 C ATOM 757 O ALA A 53 -2.532 -3.240 9.944 1.00 1.10 O ATOM 758 CB ALA A 53 -0.326 -5.299 10.608 1.00 1.06 C ATOM 0 H ALA A 53 0.353 -5.681 8.161 1.00 0.88 H new ATOM 0 HA ALA A 53 -2.149 -5.787 9.622 1.00 0.95 H new ATOM 0 HB1 ALA A 53 -0.809 -4.876 11.489 1.00 1.06 H new ATOM 0 HB2 ALA A 53 -0.091 -6.347 10.792 1.00 1.06 H new ATOM 0 HB3 ALA A 53 0.593 -4.752 10.400 1.00 1.06 H new ATOM 764 N ALA A 54 -1.050 -3.069 8.277 1.00 0.79 N ATOM 765 CA ALA A 54 -1.437 -1.706 7.961 1.00 0.87 C ATOM 766 C ALA A 54 -2.803 -1.701 7.285 1.00 0.94 C ATOM 767 O ALA A 54 -3.664 -0.879 7.600 1.00 1.16 O ATOM 768 CB ALA A 54 -0.378 -1.039 7.099 1.00 0.89 C ATOM 0 H ALA A 54 -0.284 -3.439 7.714 1.00 0.79 H new ATOM 0 HA ALA A 54 -1.515 -1.129 8.882 1.00 0.87 H new ATOM 0 HB1 ALA A 54 -0.684 -0.018 6.871 1.00 0.89 H new ATOM 0 HB2 ALA A 54 0.571 -1.022 7.636 1.00 0.89 H new ATOM 0 HB3 ALA A 54 -0.260 -1.598 6.171 1.00 0.89 H new ATOM 774 N ALA A 55 -3.010 -2.653 6.383 1.00 0.88 N ATOM 775 CA ALA A 55 -4.317 -2.867 5.780 1.00 0.97 C ATOM 776 C ALA A 55 -5.157 -3.759 6.688 1.00 0.96 C ATOM 777 O ALA A 55 -6.290 -4.113 6.372 1.00 1.07 O ATOM 778 CB ALA A 55 -4.176 -3.483 4.395 1.00 1.11 C ATOM 0 H ALA A 55 -2.285 -3.291 6.053 1.00 0.88 H new ATOM 0 HA ALA A 55 -4.819 -1.906 5.666 1.00 0.97 H new ATOM 0 HB1 ALA A 55 -5.165 -3.635 3.962 1.00 1.11 H new ATOM 0 HB2 ALA A 55 -3.599 -2.814 3.756 1.00 1.11 H new ATOM 0 HB3 ALA A 55 -3.663 -4.442 4.474 1.00 1.11 H new ATOM 784 N GLY A 56 -4.575 -4.130 7.818 1.00 0.96 N ATOM 785 CA GLY A 56 -5.292 -4.877 8.825 1.00 1.05 C ATOM 786 C GLY A 56 -5.739 -3.975 9.952 1.00 0.99 C ATOM 787 O GLY A 56 -6.523 -4.376 10.813 1.00 1.08 O ATOM 0 H GLY A 56 -3.605 -3.922 8.056 1.00 0.96 H new ATOM 0 HA2 GLY A 56 -6.159 -5.361 8.376 1.00 1.05 H new ATOM 0 HA3 GLY A 56 -4.654 -5.668 9.219 1.00 1.05 H new ATOM 791 N ALA A 57 -5.246 -2.739 9.928 1.00 0.98 N ATOM 792 CA ALA A 57 -5.607 -1.739 10.921 1.00 1.11 C ATOM 793 C ALA A 57 -6.915 -1.065 10.522 1.00 1.10 C ATOM 794 O ALA A 57 -7.407 -0.165 11.201 1.00 1.53 O ATOM 795 CB ALA A 57 -4.505 -0.699 11.048 1.00 1.34 C ATOM 0 H ALA A 57 -4.589 -2.407 9.222 1.00 0.98 H new ATOM 0 HA ALA A 57 -5.736 -2.230 11.885 1.00 1.11 H new ATOM 0 HB1 ALA A 57 -4.789 0.043 11.794 1.00 1.34 H new ATOM 0 HB2 ALA A 57 -3.579 -1.186 11.354 1.00 1.34 H new ATOM 0 HB3 ALA A 57 -4.356 -0.208 10.087 1.00 1.34 H new ATOM 801 N VAL A 58 -7.440 -1.508 9.389 1.00 0.89 N ATOM 802 CA VAL A 58 -8.670 -0.984 8.808 1.00 1.10 C ATOM 803 C VAL A 58 -9.862 -1.064 9.769 1.00 1.08 C ATOM 804 O VAL A 58 -10.491 -2.109 9.932 1.00 1.78 O ATOM 805 CB VAL A 58 -8.995 -1.723 7.499 1.00 1.50 C ATOM 806 CG1 VAL A 58 -7.996 -1.322 6.427 1.00 1.74 C ATOM 807 CG2 VAL A 58 -8.982 -3.235 7.700 1.00 2.36 C ATOM 0 H VAL A 58 -7.017 -2.254 8.837 1.00 0.89 H new ATOM 0 HA VAL A 58 -8.498 0.072 8.602 1.00 1.10 H new ATOM 0 HB VAL A 58 -9.999 -1.441 7.182 1.00 1.50 H new ATOM 0 HG11 VAL A 58 -8.227 -1.846 5.500 1.00 1.74 H new ATOM 0 HG12 VAL A 58 -8.054 -0.246 6.260 1.00 1.74 H new ATOM 0 HG13 VAL A 58 -6.989 -1.585 6.751 1.00 1.74 H new ATOM 0 HG21 VAL A 58 -9.215 -3.729 6.757 1.00 2.36 H new ATOM 0 HG22 VAL A 58 -7.995 -3.548 8.040 1.00 2.36 H new ATOM 0 HG23 VAL A 58 -9.727 -3.509 8.447 1.00 2.36 H new ATOM 817 N ARG A 59 -10.150 0.052 10.416 1.00 0.92 N ATOM 818 CA ARG A 59 -11.295 0.152 11.313 1.00 1.16 C ATOM 819 C ARG A 59 -12.361 1.039 10.685 1.00 1.18 C ATOM 820 O ARG A 59 -12.233 2.262 10.675 1.00 1.83 O ATOM 821 CB ARG A 59 -10.856 0.716 12.667 1.00 1.63 C ATOM 822 CG ARG A 59 -9.863 -0.173 13.394 1.00 2.16 C ATOM 823 CD ARG A 59 -9.164 0.570 14.520 1.00 2.64 C ATOM 824 NE ARG A 59 -8.421 1.728 14.020 1.00 3.01 N ATOM 825 CZ ARG A 59 -7.090 1.812 14.002 1.00 3.85 C ATOM 826 NH1 ARG A 59 -6.345 0.819 14.477 1.00 4.30 N ATOM 827 NH2 ARG A 59 -6.503 2.898 13.511 1.00 4.65 N ATOM 0 H ARG A 59 -9.604 0.910 10.338 1.00 0.92 H new ATOM 0 HA ARG A 59 -11.714 -0.841 11.474 1.00 1.16 H new ATOM 0 HB2 ARG A 59 -10.410 1.699 12.516 1.00 1.63 H new ATOM 0 HB3 ARG A 59 -11.735 0.858 13.296 1.00 1.63 H new ATOM 0 HG2 ARG A 59 -10.381 -1.043 13.798 1.00 2.16 H new ATOM 0 HG3 ARG A 59 -9.121 -0.544 12.687 1.00 2.16 H new ATOM 0 HD2 ARG A 59 -9.901 0.898 15.253 1.00 2.64 H new ATOM 0 HD3 ARG A 59 -8.482 -0.106 15.035 1.00 2.64 H new ATOM 0 HE ARG A 59 -8.955 2.520 13.663 1.00 3.01 H new ATOM 0 HH11 ARG A 59 -6.791 -0.015 14.859 1.00 4.30 H new ATOM 0 HH12 ARG A 59 -5.328 0.891 14.459 1.00 4.30 H new ATOM 0 HH21 ARG A 59 -7.070 3.665 13.149 1.00 4.65 H new ATOM 0 HH22 ARG A 59 -5.485 2.965 13.496 1.00 4.65 H new ATOM 841 N GLY A 60 -13.396 0.417 10.136 1.00 1.26 N ATOM 842 CA GLY A 60 -14.418 1.163 9.429 1.00 1.50 C ATOM 843 C GLY A 60 -13.958 1.534 8.035 1.00 1.68 C ATOM 844 O GLY A 60 -14.333 2.578 7.498 1.00 2.01 O ATOM 0 H GLY A 60 -13.546 -0.591 10.168 1.00 1.26 H new ATOM 0 HA2 GLY A 60 -15.330 0.568 9.368 1.00 1.50 H new ATOM 0 HA3 GLY A 60 -14.664 2.067 9.987 1.00 1.50 H new ATOM 848 N ILE A 61 -13.140 0.667 7.455 1.00 1.67 N ATOM 849 CA ILE A 61 -12.520 0.928 6.166 1.00 1.93 C ATOM 850 C ILE A 61 -13.474 0.604 5.015 1.00 1.67 C ATOM 851 O ILE A 61 -14.587 0.123 5.230 1.00 2.21 O ATOM 852 CB ILE A 61 -11.239 0.080 6.007 1.00 2.53 C ATOM 853 CG1 ILE A 61 -10.246 0.761 5.062 1.00 3.45 C ATOM 854 CG2 ILE A 61 -11.572 -1.326 5.514 1.00 2.78 C ATOM 855 CD1 ILE A 61 -9.534 1.934 5.696 1.00 3.54 C ATOM 0 H ILE A 61 -12.889 -0.233 7.864 1.00 1.67 H new ATOM 0 HA ILE A 61 -12.271 1.989 6.131 1.00 1.93 H new ATOM 0 HB ILE A 61 -10.772 -0.006 6.988 1.00 2.53 H new ATOM 0 HG12 ILE A 61 -9.507 0.030 4.732 1.00 3.45 H new ATOM 0 HG13 ILE A 61 -10.776 1.102 4.173 1.00 3.45 H new ATOM 0 HG21 ILE A 61 -10.653 -1.902 5.410 1.00 2.78 H new ATOM 0 HG22 ILE A 61 -12.229 -1.817 6.232 1.00 2.78 H new ATOM 0 HG23 ILE A 61 -12.072 -1.264 4.547 1.00 2.78 H new ATOM 0 HD11 ILE A 61 -8.844 2.374 4.976 1.00 3.54 H new ATOM 0 HD12 ILE A 61 -10.266 2.682 6.001 1.00 3.54 H new ATOM 0 HD13 ILE A 61 -8.978 1.593 6.569 1.00 3.54 H new ATOM 867 N ASN A 62 -13.018 0.863 3.800 1.00 1.52 N ATOM 868 CA ASN A 62 -13.745 0.474 2.596 1.00 1.54 C ATOM 869 C ASN A 62 -12.833 -0.321 1.668 1.00 1.47 C ATOM 870 O ASN A 62 -11.852 0.208 1.142 1.00 1.53 O ATOM 871 CB ASN A 62 -14.309 1.696 1.865 1.00 1.94 C ATOM 872 CG ASN A 62 -15.695 2.091 2.343 1.00 2.79 C ATOM 873 OD1 ASN A 62 -16.046 1.921 3.509 1.00 3.22 O ATOM 874 ND2 ASN A 62 -16.502 2.604 1.431 1.00 3.41 N ATOM 0 H ASN A 62 -12.138 1.346 3.618 1.00 1.52 H new ATOM 0 HA ASN A 62 -14.585 -0.152 2.897 1.00 1.54 H new ATOM 0 HB2 ASN A 62 -13.631 2.538 2.002 1.00 1.94 H new ATOM 0 HB3 ASN A 62 -14.346 1.487 0.796 1.00 1.94 H new ATOM 0 HD21 ASN A 62 -17.452 2.874 1.685 1.00 3.41 H new ATOM 0 HD22 ASN A 62 -16.175 2.730 0.473 1.00 3.41 H new ATOM 881 N PRO A 63 -13.151 -1.607 1.452 1.00 1.67 N ATOM 882 CA PRO A 63 -12.319 -2.511 0.651 1.00 1.87 C ATOM 883 C PRO A 63 -12.251 -2.088 -0.810 1.00 1.64 C ATOM 884 O PRO A 63 -11.252 -2.316 -1.493 1.00 1.59 O ATOM 885 CB PRO A 63 -13.014 -3.873 0.768 1.00 2.43 C ATOM 886 CG PRO A 63 -14.015 -3.731 1.865 1.00 2.38 C ATOM 887 CD PRO A 63 -14.354 -2.273 1.964 1.00 2.01 C ATOM 0 HA PRO A 63 -11.289 -2.517 1.007 1.00 1.87 H new ATOM 0 HB2 PRO A 63 -13.499 -4.146 -0.170 1.00 2.43 H new ATOM 0 HB3 PRO A 63 -12.295 -4.660 0.996 1.00 2.43 H new ATOM 0 HG2 PRO A 63 -14.907 -4.321 1.652 1.00 2.38 H new ATOM 0 HG3 PRO A 63 -13.608 -4.097 2.808 1.00 2.38 H new ATOM 0 HD2 PRO A 63 -15.234 -2.024 1.371 1.00 2.01 H new ATOM 0 HD3 PRO A 63 -14.569 -1.980 2.992 1.00 2.01 H new ATOM 895 N ASN A 64 -13.320 -1.461 -1.281 1.00 1.59 N ATOM 896 CA ASN A 64 -13.383 -0.973 -2.655 1.00 1.51 C ATOM 897 C ASN A 64 -12.311 0.088 -2.912 1.00 1.16 C ATOM 898 O ASN A 64 -11.842 0.248 -4.039 1.00 1.11 O ATOM 899 CB ASN A 64 -14.776 -0.407 -2.962 1.00 1.72 C ATOM 900 CG ASN A 64 -15.086 0.862 -2.192 1.00 2.37 C ATOM 901 OD1 ASN A 64 -15.538 0.814 -1.046 1.00 3.10 O ATOM 902 ND2 ASN A 64 -14.875 2.005 -2.824 1.00 2.83 N ATOM 0 H ASN A 64 -14.159 -1.277 -0.731 1.00 1.59 H new ATOM 0 HA ASN A 64 -13.193 -1.816 -3.319 1.00 1.51 H new ATOM 0 HB2 ASN A 64 -14.852 -0.204 -4.030 1.00 1.72 H new ATOM 0 HB3 ASN A 64 -15.528 -1.160 -2.727 1.00 1.72 H new ATOM 0 HD21 ASN A 64 -15.088 2.890 -2.363 1.00 2.83 H new ATOM 0 HD22 ASN A 64 -14.499 2.002 -3.772 1.00 2.83 H new ATOM 909 N ASN A 65 -11.916 0.795 -1.861 1.00 0.99 N ATOM 910 CA ASN A 65 -10.896 1.830 -1.974 1.00 0.74 C ATOM 911 C ASN A 65 -9.500 1.222 -1.928 1.00 0.69 C ATOM 912 O ASN A 65 -8.530 1.852 -2.335 1.00 0.60 O ATOM 913 CB ASN A 65 -11.041 2.860 -0.855 1.00 0.74 C ATOM 914 CG ASN A 65 -12.318 3.671 -0.960 1.00 0.95 C ATOM 915 OD1 ASN A 65 -12.827 3.911 -2.053 1.00 1.34 O ATOM 916 ND2 ASN A 65 -12.840 4.102 0.176 1.00 1.13 N ATOM 0 H ASN A 65 -12.287 0.670 -0.919 1.00 0.99 H new ATOM 0 HA ASN A 65 -11.035 2.327 -2.934 1.00 0.74 H new ATOM 0 HB2 ASN A 65 -11.020 2.349 0.107 1.00 0.74 H new ATOM 0 HB3 ASN A 65 -10.185 3.535 -0.876 1.00 0.74 H new ATOM 0 HD21 ASN A 65 -13.697 4.656 0.166 1.00 1.13 H new ATOM 0 HD22 ASN A 65 -12.386 3.881 1.062 1.00 1.13 H new ATOM 923 N ALA A 66 -9.407 -0.010 -1.442 1.00 0.93 N ATOM 924 CA ALA A 66 -8.121 -0.690 -1.317 1.00 1.07 C ATOM 925 C ALA A 66 -7.539 -1.014 -2.686 1.00 1.02 C ATOM 926 O ALA A 66 -6.332 -0.940 -2.891 1.00 1.05 O ATOM 927 CB ALA A 66 -8.267 -1.954 -0.485 1.00 1.43 C ATOM 0 H ALA A 66 -10.207 -0.560 -1.128 1.00 0.93 H new ATOM 0 HA ALA A 66 -7.430 -0.018 -0.808 1.00 1.07 H new ATOM 0 HB1 ALA A 66 -7.299 -2.449 -0.402 1.00 1.43 H new ATOM 0 HB2 ALA A 66 -8.629 -1.695 0.510 1.00 1.43 H new ATOM 0 HB3 ALA A 66 -8.978 -2.626 -0.966 1.00 1.43 H new ATOM 933 N GLU A 67 -8.409 -1.361 -3.625 1.00 1.07 N ATOM 934 CA GLU A 67 -7.981 -1.649 -4.988 1.00 1.12 C ATOM 935 C GLU A 67 -7.889 -0.351 -5.789 1.00 0.94 C ATOM 936 O GLU A 67 -7.172 -0.260 -6.784 1.00 1.00 O ATOM 937 CB GLU A 67 -8.961 -2.625 -5.653 1.00 1.50 C ATOM 938 CG GLU A 67 -8.566 -3.047 -7.063 1.00 1.80 C ATOM 939 CD GLU A 67 -7.244 -3.790 -7.110 1.00 2.05 C ATOM 940 OE1 GLU A 67 -7.178 -4.931 -6.607 1.00 2.41 O ATOM 941 OE2 GLU A 67 -6.253 -3.225 -7.625 1.00 2.41 O ATOM 0 H GLU A 67 -9.413 -1.450 -3.469 1.00 1.07 H new ATOM 0 HA GLU A 67 -6.995 -2.114 -4.963 1.00 1.12 H new ATOM 0 HB2 GLU A 67 -9.047 -3.516 -5.031 1.00 1.50 H new ATOM 0 HB3 GLU A 67 -9.948 -2.164 -5.687 1.00 1.50 H new ATOM 0 HG2 GLU A 67 -9.348 -3.682 -7.479 1.00 1.80 H new ATOM 0 HG3 GLU A 67 -8.502 -2.163 -7.697 1.00 1.80 H new ATOM 948 N ALA A 68 -8.614 0.661 -5.341 1.00 0.86 N ATOM 949 CA ALA A 68 -8.560 1.973 -5.969 1.00 0.92 C ATOM 950 C ALA A 68 -7.264 2.679 -5.592 1.00 0.89 C ATOM 951 O ALA A 68 -6.731 3.480 -6.356 1.00 1.14 O ATOM 952 CB ALA A 68 -9.760 2.809 -5.550 1.00 1.00 C ATOM 0 H ALA A 68 -9.248 0.600 -4.544 1.00 0.86 H new ATOM 0 HA ALA A 68 -8.588 1.846 -7.051 1.00 0.92 H new ATOM 0 HB1 ALA A 68 -9.706 3.787 -6.027 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -10.678 2.306 -5.855 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -9.757 2.933 -4.467 1.00 1.00 H new ATOM 958 N LEU A 69 -6.765 2.336 -4.413 1.00 0.79 N ATOM 959 CA LEU A 69 -5.561 2.931 -3.842 1.00 1.01 C ATOM 960 C LEU A 69 -4.390 2.969 -4.844 1.00 1.08 C ATOM 961 O LEU A 69 -3.878 4.050 -5.147 1.00 1.37 O ATOM 962 CB LEU A 69 -5.203 2.164 -2.559 1.00 1.16 C ATOM 963 CG LEU A 69 -3.982 2.652 -1.786 1.00 1.47 C ATOM 964 CD1 LEU A 69 -4.256 2.575 -0.293 1.00 2.29 C ATOM 965 CD2 LEU A 69 -2.767 1.805 -2.127 1.00 1.96 C ATOM 0 H LEU A 69 -7.190 1.626 -3.816 1.00 0.79 H new ATOM 0 HA LEU A 69 -5.759 3.975 -3.598 1.00 1.01 H new ATOM 0 HB2 LEU A 69 -6.064 2.198 -1.891 1.00 1.16 H new ATOM 0 HB3 LEU A 69 -5.044 1.118 -2.821 1.00 1.16 H new ATOM 0 HG LEU A 69 -3.780 3.686 -2.066 1.00 1.47 H new ATOM 0 HD11 LEU A 69 -3.382 2.924 0.256 1.00 2.29 H new ATOM 0 HD12 LEU A 69 -5.113 3.202 -0.048 1.00 2.29 H new ATOM 0 HD13 LEU A 69 -4.470 1.543 -0.015 1.00 2.29 H new ATOM 0 HD21 LEU A 69 -1.904 2.165 -1.568 1.00 1.96 H new ATOM 0 HD22 LEU A 69 -2.962 0.766 -1.863 1.00 1.96 H new ATOM 0 HD23 LEU A 69 -2.562 1.876 -3.195 1.00 1.96 H new ATOM 977 N PRO A 70 -3.954 1.817 -5.396 1.00 0.88 N ATOM 978 CA PRO A 70 -2.851 1.794 -6.363 1.00 0.91 C ATOM 979 C PRO A 70 -3.238 2.441 -7.693 1.00 1.02 C ATOM 980 O PRO A 70 -2.412 3.071 -8.363 1.00 1.20 O ATOM 981 CB PRO A 70 -2.567 0.300 -6.551 1.00 0.77 C ATOM 982 CG PRO A 70 -3.844 -0.378 -6.200 1.00 0.78 C ATOM 983 CD PRO A 70 -4.477 0.461 -5.129 1.00 0.78 C ATOM 0 HA PRO A 70 -1.987 2.359 -6.012 1.00 0.91 H new ATOM 0 HB2 PRO A 70 -2.271 0.080 -7.577 1.00 0.77 H new ATOM 0 HB3 PRO A 70 -1.753 -0.032 -5.906 1.00 0.77 H new ATOM 0 HG2 PRO A 70 -4.496 -0.457 -7.070 1.00 0.78 H new ATOM 0 HG3 PRO A 70 -3.662 -1.392 -5.845 1.00 0.78 H new ATOM 0 HD2 PRO A 70 -5.565 0.432 -5.188 1.00 0.78 H new ATOM 0 HD3 PRO A 70 -4.202 0.114 -4.133 1.00 0.78 H new ATOM 991 N GLY A 71 -4.508 2.309 -8.054 1.00 1.06 N ATOM 992 CA GLY A 71 -4.984 2.814 -9.328 1.00 1.36 C ATOM 993 C GLY A 71 -4.953 4.327 -9.416 1.00 1.09 C ATOM 994 O GLY A 71 -4.640 4.882 -10.468 1.00 1.18 O ATOM 0 H GLY A 71 -5.222 1.858 -7.482 1.00 1.06 H new ATOM 0 HA2 GLY A 71 -4.373 2.397 -10.129 1.00 1.36 H new ATOM 0 HA3 GLY A 71 -6.004 2.467 -9.491 1.00 1.36 H new ATOM 998 N LYS A 72 -5.267 4.999 -8.314 1.00 0.90 N ATOM 999 CA LYS A 72 -5.349 6.455 -8.315 1.00 0.78 C ATOM 1000 C LYS A 72 -3.969 7.104 -8.432 1.00 0.73 C ATOM 1001 O LYS A 72 -3.850 8.225 -8.927 1.00 0.99 O ATOM 1002 CB LYS A 72 -6.068 6.976 -7.065 1.00 0.76 C ATOM 1003 CG LYS A 72 -7.433 6.346 -6.821 1.00 1.18 C ATOM 1004 CD LYS A 72 -8.296 6.364 -8.074 1.00 1.40 C ATOM 1005 CE LYS A 72 -8.572 7.777 -8.555 1.00 2.07 C ATOM 1006 NZ LYS A 72 -9.481 8.519 -7.641 1.00 2.61 N ATOM 0 H LYS A 72 -5.468 4.563 -7.414 1.00 0.90 H new ATOM 0 HA LYS A 72 -5.931 6.733 -9.194 1.00 0.78 H new ATOM 0 HB2 LYS A 72 -5.437 6.796 -6.195 1.00 0.76 H new ATOM 0 HB3 LYS A 72 -6.189 8.056 -7.153 1.00 0.76 H new ATOM 0 HG2 LYS A 72 -7.304 5.318 -6.484 1.00 1.18 H new ATOM 0 HG3 LYS A 72 -7.943 6.882 -6.021 1.00 1.18 H new ATOM 0 HD2 LYS A 72 -7.798 5.803 -8.865 1.00 1.40 H new ATOM 0 HD3 LYS A 72 -9.241 5.859 -7.871 1.00 1.40 H new ATOM 0 HE2 LYS A 72 -7.630 8.318 -8.644 1.00 2.07 H new ATOM 0 HE3 LYS A 72 -9.014 7.739 -9.551 1.00 2.07 H new ATOM 0 HZ1 LYS A 72 -9.680 9.460 -8.038 1.00 2.61 H new ATOM 0 HZ2 LYS A 72 -10.372 7.993 -7.535 1.00 2.61 H new ATOM 0 HZ3 LYS A 72 -9.028 8.624 -6.711 1.00 2.61 H new ATOM 1020 N CYS A 73 -2.924 6.413 -7.982 1.00 0.63 N ATOM 1021 CA CYS A 73 -1.576 6.964 -8.100 1.00 0.63 C ATOM 1022 C CYS A 73 -0.965 6.613 -9.455 1.00 0.62 C ATOM 1023 O CYS A 73 -0.107 7.337 -9.965 1.00 0.77 O ATOM 1024 CB CYS A 73 -0.644 6.473 -6.984 1.00 0.72 C ATOM 1025 SG CYS A 73 0.945 7.349 -6.949 1.00 1.65 S ATOM 0 H CYS A 73 -2.980 5.494 -7.543 1.00 0.63 H new ATOM 0 HA CYS A 73 -1.675 8.046 -8.008 1.00 0.63 H new ATOM 0 HB2 CYS A 73 -1.142 6.597 -6.022 1.00 0.72 H new ATOM 0 HB3 CYS A 73 -0.462 5.406 -7.114 1.00 0.72 H new ATOM 1030 N GLY A 74 -1.407 5.502 -10.033 1.00 0.61 N ATOM 1031 CA GLY A 74 -0.875 5.078 -11.309 1.00 0.67 C ATOM 1032 C GLY A 74 0.191 4.025 -11.145 1.00 0.66 C ATOM 1033 O GLY A 74 1.239 4.083 -11.785 1.00 0.96 O ATOM 0 H GLY A 74 -2.122 4.890 -9.640 1.00 0.61 H new ATOM 0 HA2 GLY A 74 -1.682 4.686 -11.928 1.00 0.67 H new ATOM 0 HA3 GLY A 74 -0.460 5.938 -11.834 1.00 0.67 H new ATOM 1037 N VAL A 75 -0.073 3.067 -10.272 1.00 0.55 N ATOM 1038 CA VAL A 75 0.862 1.990 -10.013 1.00 0.61 C ATOM 1039 C VAL A 75 0.166 0.634 -10.081 1.00 0.80 C ATOM 1040 O VAL A 75 -0.301 0.102 -9.073 1.00 1.70 O ATOM 1041 CB VAL A 75 1.569 2.157 -8.648 1.00 0.63 C ATOM 1042 CG1 VAL A 75 2.716 3.145 -8.762 1.00 1.09 C ATOM 1043 CG2 VAL A 75 0.590 2.619 -7.576 1.00 0.51 C ATOM 0 H VAL A 75 -0.934 3.015 -9.728 1.00 0.55 H new ATOM 0 HA VAL A 75 1.623 2.035 -10.792 1.00 0.61 H new ATOM 0 HB VAL A 75 1.965 1.184 -8.356 1.00 0.63 H new ATOM 0 HG11 VAL A 75 3.203 3.251 -7.792 1.00 1.09 H new ATOM 0 HG12 VAL A 75 3.438 2.781 -9.493 1.00 1.09 H new ATOM 0 HG13 VAL A 75 2.332 4.113 -9.083 1.00 1.09 H new ATOM 0 HG21 VAL A 75 1.115 2.728 -6.627 1.00 0.51 H new ATOM 0 HG22 VAL A 75 0.160 3.578 -7.865 1.00 0.51 H new ATOM 0 HG23 VAL A 75 -0.206 1.882 -7.468 1.00 0.51 H new ATOM 1053 N ASN A 76 0.063 0.101 -11.290 1.00 0.78 N ATOM 1054 CA ASN A 76 -0.514 -1.220 -11.497 1.00 0.90 C ATOM 1055 C ASN A 76 0.516 -2.297 -11.175 1.00 0.81 C ATOM 1056 O ASN A 76 1.271 -2.742 -12.042 1.00 0.99 O ATOM 1057 CB ASN A 76 -1.012 -1.384 -12.938 1.00 1.23 C ATOM 1058 CG ASN A 76 -1.790 -2.675 -13.134 1.00 1.70 C ATOM 1059 OD1 ASN A 76 -1.218 -3.726 -13.430 1.00 2.27 O ATOM 1060 ND2 ASN A 76 -3.104 -2.600 -12.989 1.00 2.31 N ATOM 0 H ASN A 76 0.372 0.564 -12.145 1.00 0.78 H new ATOM 0 HA ASN A 76 -1.367 -1.327 -10.827 1.00 0.90 H new ATOM 0 HB2 ASN A 76 -1.646 -0.537 -13.200 1.00 1.23 H new ATOM 0 HB3 ASN A 76 -0.161 -1.368 -13.619 1.00 1.23 H new ATOM 0 HD21 ASN A 76 -3.680 -3.431 -13.123 1.00 2.31 H new ATOM 0 HD22 ASN A 76 -3.540 -1.711 -12.743 1.00 2.31 H new ATOM 1067 N ILE A 77 0.559 -2.682 -9.914 1.00 0.78 N ATOM 1068 CA ILE A 77 1.514 -3.672 -9.435 1.00 0.91 C ATOM 1069 C ILE A 77 1.005 -5.098 -9.658 1.00 0.85 C ATOM 1070 O ILE A 77 -0.204 -5.325 -9.732 1.00 0.82 O ATOM 1071 CB ILE A 77 1.821 -3.453 -7.937 1.00 1.19 C ATOM 1072 CG1 ILE A 77 0.515 -3.291 -7.142 1.00 1.12 C ATOM 1073 CG2 ILE A 77 2.725 -2.241 -7.763 1.00 1.83 C ATOM 1074 CD1 ILE A 77 0.704 -3.071 -5.659 1.00 1.17 C ATOM 0 H ILE A 77 -0.064 -2.321 -9.192 1.00 0.78 H new ATOM 0 HA ILE A 77 2.431 -3.544 -10.010 1.00 0.91 H new ATOM 0 HB ILE A 77 2.343 -4.327 -7.548 1.00 1.19 H new ATOM 0 HG12 ILE A 77 -0.043 -2.449 -7.553 1.00 1.12 H new ATOM 0 HG13 ILE A 77 -0.097 -4.181 -7.289 1.00 1.12 H new ATOM 0 HG21 ILE A 77 2.936 -2.094 -6.704 1.00 1.83 H new ATOM 0 HG22 ILE A 77 3.659 -2.404 -8.300 1.00 1.83 H new ATOM 0 HG23 ILE A 77 2.228 -1.356 -8.160 1.00 1.83 H new ATOM 0 HD11 ILE A 77 -0.269 -2.967 -5.180 1.00 1.17 H new ATOM 0 HD12 ILE A 77 1.231 -3.923 -5.229 1.00 1.17 H new ATOM 0 HD13 ILE A 77 1.286 -2.164 -5.497 1.00 1.17 H new ATOM 1086 N PRO A 78 1.928 -6.069 -9.804 1.00 0.96 N ATOM 1087 CA PRO A 78 1.577 -7.487 -9.977 1.00 1.03 C ATOM 1088 C PRO A 78 0.862 -8.051 -8.750 1.00 0.91 C ATOM 1089 O PRO A 78 -0.251 -8.572 -8.849 1.00 1.28 O ATOM 1090 CB PRO A 78 2.933 -8.180 -10.170 1.00 1.24 C ATOM 1091 CG PRO A 78 3.878 -7.090 -10.543 1.00 1.35 C ATOM 1092 CD PRO A 78 3.384 -5.862 -9.837 1.00 1.15 C ATOM 0 HA PRO A 78 0.891 -7.637 -10.811 1.00 1.03 H new ATOM 0 HB2 PRO A 78 3.252 -8.683 -9.257 1.00 1.24 H new ATOM 0 HB3 PRO A 78 2.880 -8.939 -10.950 1.00 1.24 H new ATOM 0 HG2 PRO A 78 4.896 -7.334 -10.238 1.00 1.35 H new ATOM 0 HG3 PRO A 78 3.896 -6.940 -11.622 1.00 1.35 H new ATOM 0 HD2 PRO A 78 3.803 -5.776 -8.835 1.00 1.15 H new ATOM 0 HD3 PRO A 78 3.651 -4.952 -10.374 1.00 1.15 H new ATOM 1100 N TYR A 79 1.517 -7.948 -7.597 1.00 0.89 N ATOM 1101 CA TYR A 79 0.892 -8.276 -6.319 1.00 0.80 C ATOM 1102 C TYR A 79 -0.174 -7.235 -6.002 1.00 0.85 C ATOM 1103 O TYR A 79 -0.222 -6.188 -6.638 1.00 1.07 O ATOM 1104 CB TYR A 79 1.949 -8.326 -5.207 1.00 0.91 C ATOM 1105 CG TYR A 79 2.961 -7.201 -5.276 1.00 0.81 C ATOM 1106 CD1 TYR A 79 2.579 -5.884 -5.086 1.00 0.99 C ATOM 1107 CD2 TYR A 79 4.300 -7.464 -5.535 1.00 0.84 C ATOM 1108 CE1 TYR A 79 3.499 -4.857 -5.152 1.00 1.13 C ATOM 1109 CE2 TYR A 79 5.227 -6.444 -5.601 1.00 0.99 C ATOM 1110 CZ TYR A 79 4.824 -5.141 -5.408 1.00 1.10 C ATOM 1111 OH TYR A 79 5.748 -4.123 -5.476 1.00 1.38 O ATOM 0 H TYR A 79 2.486 -7.638 -7.522 1.00 0.89 H new ATOM 0 HA TYR A 79 0.424 -9.258 -6.383 1.00 0.80 H new ATOM 0 HB2 TYR A 79 1.448 -8.293 -4.240 1.00 0.91 H new ATOM 0 HB3 TYR A 79 2.475 -9.279 -5.261 1.00 0.91 H new ATOM 0 HD1 TYR A 79 1.543 -5.656 -4.883 1.00 0.99 H new ATOM 0 HD2 TYR A 79 4.621 -8.484 -5.687 1.00 0.84 H new ATOM 0 HE1 TYR A 79 3.182 -3.835 -5.004 1.00 1.13 H new ATOM 0 HE2 TYR A 79 6.264 -6.666 -5.803 1.00 0.99 H new ATOM 0 HH TYR A 79 6.634 -4.497 -5.663 1.00 1.38 H new ATOM 1121 N LYS A 80 -1.026 -7.503 -5.032 1.00 0.87 N ATOM 1122 CA LYS A 80 -2.116 -6.585 -4.742 1.00 1.11 C ATOM 1123 C LYS A 80 -2.073 -6.063 -3.317 1.00 1.06 C ATOM 1124 O LYS A 80 -1.174 -6.387 -2.544 1.00 1.49 O ATOM 1125 CB LYS A 80 -3.465 -7.247 -5.020 1.00 1.41 C ATOM 1126 CG LYS A 80 -3.812 -7.303 -6.497 1.00 2.02 C ATOM 1127 CD LYS A 80 -3.723 -5.922 -7.123 1.00 2.55 C ATOM 1128 CE LYS A 80 -4.283 -5.900 -8.539 1.00 3.04 C ATOM 1129 NZ LYS A 80 -5.733 -6.232 -8.560 1.00 3.48 N ATOM 0 H LYS A 80 -0.989 -8.332 -4.439 1.00 0.87 H new ATOM 0 HA LYS A 80 -1.991 -5.728 -5.404 1.00 1.11 H new ATOM 0 HB2 LYS A 80 -3.455 -8.260 -4.617 1.00 1.41 H new ATOM 0 HB3 LYS A 80 -4.246 -6.701 -4.491 1.00 1.41 H new ATOM 0 HG2 LYS A 80 -3.133 -7.984 -7.009 1.00 2.02 H new ATOM 0 HG3 LYS A 80 -4.819 -7.701 -6.624 1.00 2.02 H new ATOM 0 HD2 LYS A 80 -4.269 -5.208 -6.506 1.00 2.55 H new ATOM 0 HD3 LYS A 80 -2.682 -5.598 -7.140 1.00 2.55 H new ATOM 0 HE2 LYS A 80 -4.129 -4.914 -8.977 1.00 3.04 H new ATOM 0 HE3 LYS A 80 -3.737 -6.612 -9.158 1.00 3.04 H new ATOM 0 HZ1 LYS A 80 -6.205 -5.681 -9.305 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -5.854 -7.247 -8.751 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -6.156 -6.000 -7.638 1.00 3.48 H new ATOM 1143 N ILE A 81 -3.071 -5.252 -2.992 1.00 1.13 N ATOM 1144 CA ILE A 81 -3.198 -4.640 -1.677 1.00 1.19 C ATOM 1145 C ILE A 81 -3.893 -5.619 -0.724 1.00 1.22 C ATOM 1146 O ILE A 81 -4.333 -5.263 0.369 1.00 1.37 O ATOM 1147 CB ILE A 81 -4.005 -3.316 -1.790 1.00 1.52 C ATOM 1148 CG1 ILE A 81 -3.443 -2.452 -2.926 1.00 2.09 C ATOM 1149 CG2 ILE A 81 -3.991 -2.526 -0.488 1.00 1.88 C ATOM 1150 CD1 ILE A 81 -1.994 -2.050 -2.738 1.00 2.55 C ATOM 0 H ILE A 81 -3.819 -4.999 -3.637 1.00 1.13 H new ATOM 0 HA ILE A 81 -2.209 -4.408 -1.281 1.00 1.19 H new ATOM 0 HB ILE A 81 -5.040 -3.582 -2.006 1.00 1.52 H new ATOM 0 HG12 ILE A 81 -3.539 -2.998 -3.865 1.00 2.09 H new ATOM 0 HG13 ILE A 81 -4.050 -1.551 -3.018 1.00 2.09 H new ATOM 0 HG21 ILE A 81 -4.567 -1.609 -0.613 1.00 1.88 H new ATOM 0 HG22 ILE A 81 -4.433 -3.127 0.307 1.00 1.88 H new ATOM 0 HG23 ILE A 81 -2.963 -2.276 -0.225 1.00 1.88 H new ATOM 0 HD11 ILE A 81 -1.673 -1.441 -3.583 1.00 2.55 H new ATOM 0 HD12 ILE A 81 -1.892 -1.475 -1.817 1.00 2.55 H new ATOM 0 HD13 ILE A 81 -1.373 -2.944 -2.678 1.00 2.55 H new ATOM 1162 N SER A 82 -3.986 -6.868 -1.166 1.00 1.31 N ATOM 1163 CA SER A 82 -4.585 -7.923 -0.373 1.00 1.50 C ATOM 1164 C SER A 82 -3.728 -8.217 0.851 1.00 1.47 C ATOM 1165 O SER A 82 -2.500 -8.251 0.767 1.00 1.81 O ATOM 1166 CB SER A 82 -4.746 -9.189 -1.218 1.00 1.79 C ATOM 1167 OG SER A 82 -5.323 -10.245 -0.465 1.00 2.45 O ATOM 0 H SER A 82 -3.649 -7.172 -2.080 1.00 1.31 H new ATOM 0 HA SER A 82 -5.569 -7.593 -0.039 1.00 1.50 H new ATOM 0 HB2 SER A 82 -5.372 -8.973 -2.084 1.00 1.79 H new ATOM 0 HB3 SER A 82 -3.773 -9.501 -1.598 1.00 1.79 H new ATOM 0 HG SER A 82 -5.415 -11.039 -1.032 1.00 2.45 H new ATOM 1173 N THR A 83 -4.386 -8.443 1.978 1.00 1.47 N ATOM 1174 CA THR A 83 -3.703 -8.714 3.233 1.00 1.50 C ATOM 1175 C THR A 83 -2.955 -10.048 3.191 1.00 1.59 C ATOM 1176 O THR A 83 -2.088 -10.316 4.025 1.00 1.72 O ATOM 1177 CB THR A 83 -4.712 -8.715 4.395 1.00 1.65 C ATOM 1178 OG1 THR A 83 -5.922 -9.377 3.990 1.00 2.04 O ATOM 1179 CG2 THR A 83 -5.029 -7.295 4.836 1.00 1.68 C ATOM 0 H THR A 83 -5.404 -8.444 2.048 1.00 1.47 H new ATOM 0 HA THR A 83 -2.969 -7.923 3.389 1.00 1.50 H new ATOM 0 HB THR A 83 -4.268 -9.249 5.235 1.00 1.65 H new ATOM 0 HG1 THR A 83 -6.560 -9.376 4.734 1.00 2.04 H new ATOM 0 HG21 THR A 83 -5.744 -7.320 5.658 1.00 1.68 H new ATOM 0 HG22 THR A 83 -4.114 -6.804 5.166 1.00 1.68 H new ATOM 0 HG23 THR A 83 -5.457 -6.741 4.000 1.00 1.68 H new ATOM 1187 N SER A 84 -3.287 -10.875 2.211 1.00 1.68 N ATOM 1188 CA SER A 84 -2.643 -12.167 2.055 1.00 1.82 C ATOM 1189 C SER A 84 -2.271 -12.405 0.591 1.00 1.55 C ATOM 1190 O SER A 84 -2.544 -13.467 0.034 1.00 1.77 O ATOM 1191 CB SER A 84 -3.575 -13.274 2.557 1.00 2.22 C ATOM 1192 OG SER A 84 -3.932 -13.064 3.915 1.00 2.76 O ATOM 0 H SER A 84 -4.001 -10.672 1.511 1.00 1.68 H new ATOM 0 HA SER A 84 -1.727 -12.180 2.646 1.00 1.82 H new ATOM 0 HB2 SER A 84 -4.474 -13.304 1.942 1.00 2.22 H new ATOM 0 HB3 SER A 84 -3.085 -14.242 2.452 1.00 2.22 H new ATOM 0 HG SER A 84 -4.528 -13.783 4.211 1.00 2.76 H new ATOM 1198 N THR A 85 -1.626 -11.415 -0.023 1.00 1.28 N ATOM 1199 CA THR A 85 -1.223 -11.524 -1.421 1.00 1.11 C ATOM 1200 C THR A 85 0.091 -12.305 -1.555 1.00 0.96 C ATOM 1201 O THR A 85 0.631 -12.433 -2.657 1.00 1.52 O ATOM 1202 CB THR A 85 -1.072 -10.125 -2.073 1.00 1.30 C ATOM 1203 OG1 THR A 85 -0.884 -10.247 -3.490 1.00 2.05 O ATOM 1204 CG2 THR A 85 0.102 -9.358 -1.479 1.00 0.91 C ATOM 0 H THR A 85 -1.373 -10.534 0.424 1.00 1.28 H new ATOM 0 HA THR A 85 -2.010 -12.067 -1.944 1.00 1.11 H new ATOM 0 HB THR A 85 -1.990 -9.573 -1.871 1.00 1.30 H new ATOM 0 HG1 THR A 85 -0.325 -11.029 -3.680 1.00 2.05 H new ATOM 0 HG21 THR A 85 0.179 -8.382 -1.958 1.00 0.91 H new ATOM 0 HG22 THR A 85 -0.055 -9.225 -0.409 1.00 0.91 H new ATOM 0 HG23 THR A 85 1.023 -9.917 -1.644 1.00 0.91 H new ATOM 1212 N ASN A 86 0.571 -12.845 -0.426 1.00 1.23 N ATOM 1213 CA ASN A 86 1.828 -13.604 -0.368 1.00 1.36 C ATOM 1214 C ASN A 86 3.025 -12.707 -0.680 1.00 1.10 C ATOM 1215 O ASN A 86 3.244 -12.305 -1.820 1.00 1.53 O ATOM 1216 CB ASN A 86 1.787 -14.809 -1.312 1.00 1.81 C ATOM 1217 CG ASN A 86 3.072 -15.606 -1.276 1.00 2.40 C ATOM 1218 OD1 ASN A 86 3.994 -15.353 -2.050 1.00 3.05 O ATOM 1219 ND2 ASN A 86 3.144 -16.577 -0.380 1.00 2.73 N ATOM 0 H ASN A 86 0.098 -12.768 0.474 1.00 1.23 H new ATOM 0 HA ASN A 86 1.945 -13.978 0.649 1.00 1.36 H new ATOM 0 HB2 ASN A 86 0.953 -15.455 -1.038 1.00 1.81 H new ATOM 0 HB3 ASN A 86 1.603 -14.465 -2.330 1.00 1.81 H new ATOM 0 HD21 ASN A 86 3.987 -17.148 -0.313 1.00 2.73 H new ATOM 0 HD22 ASN A 86 2.357 -16.755 0.244 1.00 2.73 H new ATOM 1226 N CYS A 87 3.814 -12.423 0.341 1.00 0.87 N ATOM 1227 CA CYS A 87 4.822 -11.377 0.259 1.00 0.72 C ATOM 1228 C CYS A 87 6.227 -11.920 0.003 1.00 0.83 C ATOM 1229 O CYS A 87 7.166 -11.146 -0.162 1.00 1.10 O ATOM 1230 CB CYS A 87 4.808 -10.571 1.555 1.00 0.90 C ATOM 1231 SG CYS A 87 3.152 -9.979 2.037 1.00 1.71 S ATOM 0 H CYS A 87 3.777 -12.903 1.240 1.00 0.87 H new ATOM 0 HA CYS A 87 4.571 -10.746 -0.593 1.00 0.72 H new ATOM 0 HB2 CYS A 87 5.212 -11.187 2.359 1.00 0.90 H new ATOM 0 HB3 CYS A 87 5.472 -9.714 1.446 1.00 0.90 H new ATOM 1236 N ASN A 88 6.389 -13.235 -0.034 1.00 0.91 N ATOM 1237 CA ASN A 88 7.723 -13.806 -0.217 1.00 1.09 C ATOM 1238 C ASN A 88 7.964 -14.237 -1.662 1.00 1.10 C ATOM 1239 O ASN A 88 9.094 -14.183 -2.147 1.00 1.24 O ATOM 1240 CB ASN A 88 7.969 -14.990 0.735 1.00 1.38 C ATOM 1241 CG ASN A 88 7.052 -16.170 0.479 1.00 2.04 C ATOM 1242 OD1 ASN A 88 5.889 -16.002 0.118 1.00 2.76 O ATOM 1243 ND2 ASN A 88 7.572 -17.374 0.651 1.00 2.55 N ATOM 0 H ASN A 88 5.635 -13.916 0.057 1.00 0.91 H new ATOM 0 HA ASN A 88 8.434 -13.016 0.025 1.00 1.09 H new ATOM 0 HB2 ASN A 88 9.004 -15.316 0.637 1.00 1.38 H new ATOM 0 HB3 ASN A 88 7.837 -14.653 1.763 1.00 1.38 H new ATOM 0 HD21 ASN A 88 7.003 -18.204 0.483 1.00 2.55 H new ATOM 0 HD22 ASN A 88 8.542 -17.473 0.952 1.00 2.55 H new ATOM 1250 N SER A 89 6.912 -14.641 -2.359 1.00 1.12 N ATOM 1251 CA SER A 89 7.053 -15.128 -3.726 1.00 1.29 C ATOM 1252 C SER A 89 6.895 -13.988 -4.735 1.00 1.42 C ATOM 1253 O SER A 89 6.753 -14.219 -5.937 1.00 2.21 O ATOM 1254 CB SER A 89 6.030 -16.239 -3.989 1.00 1.53 C ATOM 1255 OG SER A 89 6.213 -16.837 -5.260 1.00 2.11 O ATOM 0 H SER A 89 5.956 -14.642 -2.004 1.00 1.12 H new ATOM 0 HA SER A 89 8.056 -15.537 -3.849 1.00 1.29 H new ATOM 0 HB2 SER A 89 6.115 -17.001 -3.214 1.00 1.53 H new ATOM 0 HB3 SER A 89 5.023 -15.828 -3.923 1.00 1.53 H new ATOM 0 HG SER A 89 6.563 -16.171 -5.888 1.00 2.11 H new ATOM 1261 N ILE A 90 6.927 -12.757 -4.237 1.00 1.14 N ATOM 1262 CA ILE A 90 6.873 -11.582 -5.100 1.00 1.35 C ATOM 1263 C ILE A 90 8.251 -11.293 -5.682 1.00 1.76 C ATOM 1264 O ILE A 90 8.374 -10.697 -6.753 1.00 2.17 O ATOM 1265 CB ILE A 90 6.401 -10.333 -4.334 1.00 1.10 C ATOM 1266 CG1 ILE A 90 7.374 -10.011 -3.197 1.00 1.08 C ATOM 1267 CG2 ILE A 90 4.990 -10.533 -3.798 1.00 1.14 C ATOM 1268 CD1 ILE A 90 7.138 -8.656 -2.572 1.00 0.97 C ATOM 0 H ILE A 90 6.990 -12.546 -3.241 1.00 1.14 H new ATOM 0 HA ILE A 90 6.160 -11.802 -5.894 1.00 1.35 H new ATOM 0 HB ILE A 90 6.383 -9.488 -5.023 1.00 1.10 H new ATOM 0 HG12 ILE A 90 7.288 -10.778 -2.427 1.00 1.08 H new ATOM 0 HG13 ILE A 90 8.394 -10.054 -3.578 1.00 1.08 H new ATOM 0 HG21 ILE A 90 4.675 -9.639 -3.260 1.00 1.14 H new ATOM 0 HG22 ILE A 90 4.308 -10.716 -4.628 1.00 1.14 H new ATOM 0 HG23 ILE A 90 4.975 -11.388 -3.122 1.00 1.14 H new ATOM 0 HD11 ILE A 90 7.862 -8.492 -1.774 1.00 0.97 H new ATOM 0 HD12 ILE A 90 7.252 -7.881 -3.330 1.00 0.97 H new ATOM 0 HD13 ILE A 90 6.129 -8.616 -2.161 1.00 0.97 H new