USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 698 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 44 GLN : amide:sc= -0.0443 X(o=-0.49,f=-0.89) USER MOD Set 1.2: B 64 HIS : no HE2:sc= -0.444 K(o=-0.49,f=-1.5) USER MOD Set 2.1: A 64 HIS : no HE2:sc= -0.329 K(o=-0.38,f=-1.2) USER MOD Set 2.2: B 44 GLN : amide:sc= -0.0515 X(o=-0.38,f=-0.78) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0984 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.413 USER MOD Single : A 43 MET CE :methyl -121:sc= -0.552 (180deg=-1.38) USER MOD Single : A 46 MET CE :methyl -149:sc= -1.22 (180deg=-2.44!) USER MOD Single : A 47 ASN : amide:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -158:sc= -0.108 (180deg=-0.528) USER MOD Single : A 50 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0319) USER MOD Single : A 52 MET CE :methyl -112:sc= -3.74! (180deg=-5.3!) USER MOD Single : A 53 SER OG : rot -33:sc= 0.157 USER MOD Single : A 54 SER OG : rot 79:sc= 1.24 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot -103:sc= 0.0636 USER MOD Single : A 63 THR OG1 : rot 80:sc= 0.918 USER MOD Single : A 74 SER OG : rot 109:sc= 1.4 USER MOD Single : A 78 LYS NZ :NH3+ -148:sc= 0.539 (180deg=0.13) USER MOD Single : B 38 THR OG1 : rot 180:sc= -0.109 USER MOD Single : B 41 TYR OH : rot 120:sc= -0.444 USER MOD Single : B 43 MET CE :methyl -121:sc= -0.591 (180deg=-1.45) USER MOD Single : B 46 MET CE :methyl -152:sc= -1.26 (180deg=-2.48!) USER MOD Single : B 47 ASN : amide:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : B 49 LYS NZ :NH3+ -159:sc= -0.137 (180deg=-0.53) USER MOD Single : B 50 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0445) USER MOD Single : B 52 MET CE :methyl -116:sc= -3.67! (180deg=-5.2!) USER MOD Single : B 53 SER OG : rot -26:sc= 0.157 USER MOD Single : B 54 SER OG : rot 79:sc= 1.23 USER MOD Single : B 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 59 SER OG : rot -102:sc= 0.0594 USER MOD Single : B 63 THR OG1 : rot 80:sc= 1.06 USER MOD Single : B 74 SER OG : rot 114:sc= 1.51 USER MOD Single : B 78 LYS NZ :NH3+ -150:sc= 0.551 (180deg=0.134) USER MOD ----------------------------------------------------------------- ATOM 130 N THR A 38 11.737 -6.434 -5.121 1.00 0.97 N ATOM 131 CA THR A 38 13.111 -6.087 -5.429 1.00 0.83 C ATOM 132 C THR A 38 13.612 -5.008 -4.476 1.00 0.72 C ATOM 133 O THR A 38 12.806 -4.351 -3.811 1.00 0.65 O ATOM 134 CB THR A 38 13.249 -5.592 -6.885 1.00 0.79 C ATOM 135 OG1 THR A 38 12.332 -4.516 -7.127 1.00 0.85 O ATOM 136 CG2 THR A 38 12.984 -6.719 -7.870 1.00 0.95 C ATOM 0 HA THR A 38 13.715 -6.987 -5.309 1.00 0.83 H new ATOM 0 HB THR A 38 14.270 -5.239 -7.028 1.00 0.79 H new ATOM 0 HG1 THR A 38 12.427 -4.207 -8.052 1.00 0.85 H new ATOM 0 HG21 THR A 38 13.088 -6.344 -8.888 1.00 0.95 H new ATOM 0 HG22 THR A 38 13.701 -7.523 -7.705 1.00 0.95 H new ATOM 0 HG23 THR A 38 11.973 -7.099 -7.724 1.00 0.95 H new ATOM 144 N PRO A 39 14.935 -4.818 -4.361 1.00 0.74 N ATOM 145 CA PRO A 39 15.495 -3.745 -3.542 1.00 0.70 C ATOM 146 C PRO A 39 14.989 -2.379 -3.986 1.00 0.62 C ATOM 147 O PRO A 39 14.588 -1.566 -3.162 1.00 0.56 O ATOM 148 CB PRO A 39 17.000 -3.853 -3.768 1.00 0.78 C ATOM 149 CG PRO A 39 17.221 -5.254 -4.227 1.00 0.87 C ATOM 150 CD PRO A 39 15.985 -5.639 -4.989 1.00 0.83 C ATOM 0 HA PRO A 39 15.211 -3.841 -2.494 1.00 0.70 H new ATOM 0 HB2 PRO A 39 17.340 -3.135 -4.514 1.00 0.78 H new ATOM 0 HB3 PRO A 39 17.553 -3.646 -2.852 1.00 0.78 H new ATOM 0 HG2 PRO A 39 18.106 -5.323 -4.859 1.00 0.87 H new ATOM 0 HG3 PRO A 39 17.381 -5.921 -3.380 1.00 0.87 H new ATOM 0 HD2 PRO A 39 16.084 -5.422 -6.053 1.00 0.83 H new ATOM 0 HD3 PRO A 39 15.772 -6.704 -4.899 1.00 0.83 H new ATOM 158 N ASP A 40 14.989 -2.145 -5.297 1.00 0.66 N ATOM 159 CA ASP A 40 14.512 -0.880 -5.862 1.00 0.64 C ATOM 160 C ASP A 40 13.081 -0.592 -5.424 1.00 0.58 C ATOM 161 O ASP A 40 12.736 0.543 -5.083 1.00 0.58 O ATOM 162 CB ASP A 40 14.587 -0.925 -7.388 1.00 0.72 C ATOM 163 CG ASP A 40 13.994 0.307 -8.038 1.00 1.44 C ATOM 164 OD1 ASP A 40 12.797 0.274 -8.398 1.00 2.22 O ATOM 165 OD2 ASP A 40 14.722 1.308 -8.199 1.00 2.15 O ATOM 0 H ASP A 40 15.315 -2.817 -5.992 1.00 0.66 H new ATOM 0 HA ASP A 40 15.153 -0.080 -5.492 1.00 0.64 H new ATOM 0 HB2 ASP A 40 15.628 -1.027 -7.694 1.00 0.72 H new ATOM 0 HB3 ASP A 40 14.061 -1.809 -7.748 1.00 0.72 H new ATOM 170 N TYR A 41 12.262 -1.636 -5.417 1.00 0.57 N ATOM 171 CA TYR A 41 10.880 -1.544 -4.965 1.00 0.54 C ATOM 172 C TYR A 41 10.842 -1.086 -3.510 1.00 0.46 C ATOM 173 O TYR A 41 10.006 -0.270 -3.120 1.00 0.43 O ATOM 174 CB TYR A 41 10.219 -2.922 -5.108 1.00 0.61 C ATOM 175 CG TYR A 41 8.717 -2.948 -4.905 1.00 0.63 C ATOM 176 CD1 TYR A 41 8.160 -3.059 -3.634 1.00 0.64 C ATOM 177 CD2 TYR A 41 7.858 -2.893 -5.992 1.00 0.83 C ATOM 178 CE1 TYR A 41 6.789 -3.115 -3.459 1.00 0.69 C ATOM 179 CE2 TYR A 41 6.488 -2.942 -5.824 1.00 0.88 C ATOM 180 CZ TYR A 41 5.960 -3.057 -4.557 1.00 0.73 C ATOM 181 OH TYR A 41 4.596 -3.113 -4.390 1.00 0.81 O ATOM 0 H TYR A 41 12.537 -2.569 -5.724 1.00 0.57 H new ATOM 0 HA TYR A 41 10.338 -0.817 -5.570 1.00 0.54 H new ATOM 0 HB2 TYR A 41 10.441 -3.311 -6.102 1.00 0.61 H new ATOM 0 HB3 TYR A 41 10.677 -3.602 -4.390 1.00 0.61 H new ATOM 0 HD1 TYR A 41 8.808 -3.102 -2.771 1.00 0.64 H new ATOM 0 HD2 TYR A 41 8.268 -2.810 -6.988 1.00 0.83 H new ATOM 0 HE1 TYR A 41 6.371 -3.204 -2.467 1.00 0.69 H new ATOM 0 HE2 TYR A 41 5.834 -2.890 -6.682 1.00 0.88 H new ATOM 0 HH TYR A 41 4.157 -3.059 -5.264 1.00 0.81 H new ATOM 191 N LEU A 42 11.788 -1.593 -2.728 1.00 0.44 N ATOM 192 CA LEU A 42 11.835 -1.325 -1.299 1.00 0.39 C ATOM 193 C LEU A 42 12.488 0.022 -0.990 1.00 0.37 C ATOM 194 O LEU A 42 12.095 0.697 -0.043 1.00 0.34 O ATOM 195 CB LEU A 42 12.589 -2.449 -0.584 1.00 0.43 C ATOM 196 CG LEU A 42 12.782 -2.251 0.920 1.00 0.41 C ATOM 197 CD1 LEU A 42 11.441 -2.185 1.630 1.00 0.37 C ATOM 198 CD2 LEU A 42 13.642 -3.363 1.496 1.00 0.48 C ATOM 0 H LEU A 42 12.538 -2.197 -3.065 1.00 0.44 H new ATOM 0 HA LEU A 42 10.808 -1.282 -0.937 1.00 0.39 H new ATOM 0 HB2 LEU A 42 12.053 -3.384 -0.745 1.00 0.43 H new ATOM 0 HB3 LEU A 42 13.569 -2.560 -1.048 1.00 0.43 H new ATOM 0 HG LEU A 42 13.296 -1.303 1.079 1.00 0.41 H new ATOM 0 HD11 LEU A 42 11.602 -2.044 2.699 1.00 0.37 H new ATOM 0 HD12 LEU A 42 10.862 -1.350 1.237 1.00 0.37 H new ATOM 0 HD13 LEU A 42 10.896 -3.114 1.465 1.00 0.37 H new ATOM 0 HD21 LEU A 42 13.769 -3.207 2.567 1.00 0.48 H new ATOM 0 HD22 LEU A 42 13.157 -4.324 1.325 1.00 0.48 H new ATOM 0 HD23 LEU A 42 14.618 -3.357 1.010 1.00 0.48 H new ATOM 210 N MET A 43 13.454 0.435 -1.806 1.00 0.40 N ATOM 211 CA MET A 43 14.223 1.643 -1.514 1.00 0.40 C ATOM 212 C MET A 43 13.339 2.861 -1.705 1.00 0.37 C ATOM 213 O MET A 43 13.410 3.837 -0.957 1.00 0.36 O ATOM 214 CB MET A 43 15.454 1.765 -2.422 1.00 0.47 C ATOM 215 CG MET A 43 16.468 0.635 -2.295 1.00 0.63 C ATOM 216 SD MET A 43 17.066 0.384 -0.610 1.00 0.85 S ATOM 217 CE MET A 43 15.972 -0.920 -0.047 1.00 0.55 C ATOM 0 H MET A 43 13.722 -0.043 -2.666 1.00 0.40 H new ATOM 0 HA MET A 43 14.568 1.580 -0.482 1.00 0.40 H new ATOM 0 HB2 MET A 43 15.118 1.816 -3.458 1.00 0.47 H new ATOM 0 HB3 MET A 43 15.955 2.708 -2.203 1.00 0.47 H new ATOM 0 HG2 MET A 43 16.015 -0.290 -2.652 1.00 0.63 H new ATOM 0 HG3 MET A 43 17.317 0.846 -2.945 1.00 0.63 H new ATOM 0 HE1 MET A 43 15.422 -0.580 0.830 1.00 0.55 H new ATOM 0 HE2 MET A 43 15.269 -1.173 -0.841 1.00 0.55 H new ATOM 0 HE3 MET A 43 16.559 -1.801 0.212 1.00 0.55 H new ATOM 227 N GLN A 44 12.472 2.759 -2.695 1.00 0.36 N ATOM 228 CA GLN A 44 11.556 3.838 -3.006 1.00 0.35 C ATOM 229 C GLN A 44 10.456 3.892 -1.961 1.00 0.30 C ATOM 230 O GLN A 44 9.993 4.968 -1.585 1.00 0.30 O ATOM 231 CB GLN A 44 10.967 3.669 -4.402 1.00 0.42 C ATOM 232 CG GLN A 44 11.987 3.847 -5.509 1.00 0.52 C ATOM 233 CD GLN A 44 11.359 3.795 -6.883 1.00 0.64 C ATOM 234 OE1 GLN A 44 10.925 4.815 -7.415 1.00 0.91 O ATOM 235 NE2 GLN A 44 11.323 2.614 -7.473 1.00 0.75 N ATOM 0 H GLN A 44 12.384 1.940 -3.297 1.00 0.36 H new ATOM 0 HA GLN A 44 12.106 4.779 -2.991 1.00 0.35 H new ATOM 0 HB2 GLN A 44 10.522 2.677 -4.483 1.00 0.42 H new ATOM 0 HB3 GLN A 44 10.162 4.391 -4.539 1.00 0.42 H new ATOM 0 HG2 GLN A 44 12.496 4.802 -5.381 1.00 0.52 H new ATOM 0 HG3 GLN A 44 12.746 3.068 -5.429 1.00 0.52 H new ATOM 0 HE21 GLN A 44 11.695 1.793 -6.995 1.00 0.75 H new ATOM 0 HE22 GLN A 44 10.924 2.523 -8.407 1.00 0.75 H new ATOM 244 N LEU A 45 10.057 2.720 -1.475 1.00 0.27 N ATOM 245 CA LEU A 45 9.081 2.626 -0.401 1.00 0.25 C ATOM 246 C LEU A 45 9.584 3.307 0.862 1.00 0.23 C ATOM 247 O LEU A 45 8.814 3.945 1.582 1.00 0.23 O ATOM 248 CB LEU A 45 8.770 1.162 -0.092 1.00 0.29 C ATOM 249 CG LEU A 45 7.681 0.529 -0.952 1.00 0.32 C ATOM 250 CD1 LEU A 45 7.520 -0.949 -0.611 1.00 0.38 C ATOM 251 CD2 LEU A 45 6.375 1.269 -0.739 1.00 0.31 C ATOM 0 H LEU A 45 10.398 1.820 -1.812 1.00 0.27 H new ATOM 0 HA LEU A 45 8.175 3.132 -0.735 1.00 0.25 H new ATOM 0 HB2 LEU A 45 9.685 0.581 -0.209 1.00 0.29 H new ATOM 0 HB3 LEU A 45 8.474 1.084 0.954 1.00 0.29 H new ATOM 0 HG LEU A 45 7.967 0.603 -2.001 1.00 0.32 H new ATOM 0 HD11 LEU A 45 6.739 -1.383 -1.235 1.00 0.38 H new ATOM 0 HD12 LEU A 45 8.461 -1.469 -0.793 1.00 0.38 H new ATOM 0 HD13 LEU A 45 7.246 -1.052 0.439 1.00 0.38 H new ATOM 0 HD21 LEU A 45 5.596 0.817 -1.353 1.00 0.31 H new ATOM 0 HD22 LEU A 45 6.090 1.208 0.311 1.00 0.31 H new ATOM 0 HD23 LEU A 45 6.499 2.314 -1.021 1.00 0.31 H new ATOM 263 N MET A 46 10.881 3.183 1.118 1.00 0.26 N ATOM 264 CA MET A 46 11.468 3.740 2.326 1.00 0.28 C ATOM 265 C MET A 46 11.322 5.247 2.344 1.00 0.27 C ATOM 266 O MET A 46 11.131 5.844 3.402 1.00 0.41 O ATOM 267 CB MET A 46 12.948 3.390 2.452 1.00 0.33 C ATOM 268 CG MET A 46 13.237 1.905 2.528 1.00 0.39 C ATOM 269 SD MET A 46 14.944 1.563 2.998 1.00 0.49 S ATOM 270 CE MET A 46 15.829 2.656 1.885 1.00 0.49 C ATOM 0 H MET A 46 11.542 2.703 0.507 1.00 0.26 H new ATOM 0 HA MET A 46 10.931 3.302 3.168 1.00 0.28 H new ATOM 0 HB2 MET A 46 13.481 3.808 1.598 1.00 0.33 H new ATOM 0 HB3 MET A 46 13.348 3.871 3.344 1.00 0.33 H new ATOM 0 HG2 MET A 46 12.564 1.443 3.250 1.00 0.39 H new ATOM 0 HG3 MET A 46 13.030 1.447 1.561 1.00 0.39 H new ATOM 0 HE1 MET A 46 16.796 2.218 1.637 1.00 0.49 H new ATOM 0 HE2 MET A 46 15.249 2.794 0.973 1.00 0.49 H new ATOM 0 HE3 MET A 46 15.981 3.621 2.368 1.00 0.49 H new ATOM 280 N ASN A 47 11.374 5.870 1.173 1.00 0.24 N ATOM 281 CA ASN A 47 11.320 7.319 1.096 1.00 0.30 C ATOM 282 C ASN A 47 9.872 7.785 1.129 1.00 0.26 C ATOM 283 O ASN A 47 9.572 8.867 1.631 1.00 0.27 O ATOM 284 CB ASN A 47 12.019 7.807 -0.179 1.00 0.42 C ATOM 285 CG ASN A 47 11.720 9.260 -0.501 1.00 0.80 C ATOM 286 OD1 ASN A 47 12.327 10.173 0.061 1.00 1.61 O ATOM 287 ND2 ASN A 47 10.804 9.486 -1.430 1.00 1.42 N ATOM 0 H ASN A 47 11.453 5.397 0.273 1.00 0.24 H new ATOM 0 HA ASN A 47 11.841 7.743 1.955 1.00 0.30 H new ATOM 0 HB2 ASN A 47 13.096 7.680 -0.068 1.00 0.42 H new ATOM 0 HB3 ASN A 47 11.709 7.184 -1.018 1.00 0.42 H new ATOM 0 HD21 ASN A 47 10.580 10.443 -1.703 1.00 1.42 H new ATOM 0 HD22 ASN A 47 10.323 8.703 -1.873 1.00 1.42 H new ATOM 294 N ASP A 48 8.970 6.941 0.643 1.00 0.24 N ATOM 295 CA ASP A 48 7.551 7.278 0.617 1.00 0.24 C ATOM 296 C ASP A 48 7.008 7.276 2.038 1.00 0.25 C ATOM 297 O ASP A 48 6.260 8.171 2.440 1.00 0.30 O ATOM 298 CB ASP A 48 6.757 6.278 -0.232 1.00 0.25 C ATOM 299 CG ASP A 48 7.011 6.390 -1.725 1.00 0.29 C ATOM 300 OD1 ASP A 48 7.387 7.486 -2.199 1.00 0.93 O ATOM 301 OD2 ASP A 48 6.793 5.391 -2.444 1.00 0.74 O ATOM 0 H ASP A 48 9.194 6.021 0.263 1.00 0.24 H new ATOM 0 HA ASP A 48 7.441 8.267 0.172 1.00 0.24 H new ATOM 0 HB2 ASP A 48 7.003 5.267 0.092 1.00 0.25 H new ATOM 0 HB3 ASP A 48 5.693 6.423 -0.044 1.00 0.25 H new ATOM 306 N LYS A 49 7.408 6.256 2.790 1.00 0.22 N ATOM 307 CA LYS A 49 7.044 6.118 4.194 1.00 0.27 C ATOM 308 C LYS A 49 7.556 7.308 5.010 1.00 0.32 C ATOM 309 O LYS A 49 6.986 7.655 6.044 1.00 0.44 O ATOM 310 CB LYS A 49 7.617 4.803 4.738 1.00 0.31 C ATOM 311 CG LYS A 49 6.740 4.122 5.783 1.00 0.59 C ATOM 312 CD LYS A 49 6.769 4.844 7.121 1.00 0.92 C ATOM 313 CE LYS A 49 8.076 4.607 7.863 1.00 1.45 C ATOM 314 NZ LYS A 49 8.301 3.164 8.150 1.00 2.10 N ATOM 0 H LYS A 49 7.996 5.499 2.441 1.00 0.22 H new ATOM 0 HA LYS A 49 5.958 6.101 4.280 1.00 0.27 H new ATOM 0 HB2 LYS A 49 7.771 4.116 3.906 1.00 0.31 H new ATOM 0 HB3 LYS A 49 8.596 5.000 5.175 1.00 0.31 H new ATOM 0 HG2 LYS A 49 5.714 4.077 5.419 1.00 0.59 H new ATOM 0 HG3 LYS A 49 7.075 3.094 5.920 1.00 0.59 H new ATOM 0 HD2 LYS A 49 6.631 5.913 6.960 1.00 0.92 H new ATOM 0 HD3 LYS A 49 5.935 4.504 7.736 1.00 0.92 H new ATOM 0 HE2 LYS A 49 8.905 4.992 7.269 1.00 1.45 H new ATOM 0 HE3 LYS A 49 8.068 5.166 8.799 1.00 1.45 H new ATOM 0 HZ1 LYS A 49 8.965 3.068 8.945 1.00 2.10 H new ATOM 0 HZ2 LYS A 49 7.397 2.714 8.398 1.00 2.10 H new ATOM 0 HZ3 LYS A 49 8.699 2.701 7.308 1.00 2.10 H new ATOM 328 N LYS A 50 8.605 7.960 4.531 1.00 0.30 N ATOM 329 CA LYS A 50 9.157 9.108 5.233 1.00 0.37 C ATOM 330 C LYS A 50 8.452 10.376 4.769 1.00 0.39 C ATOM 331 O LYS A 50 8.170 11.267 5.571 1.00 0.43 O ATOM 332 CB LYS A 50 10.664 9.219 4.997 1.00 0.42 C ATOM 333 CG LYS A 50 11.444 8.015 5.498 1.00 1.14 C ATOM 334 CD LYS A 50 12.923 8.127 5.168 1.00 1.67 C ATOM 335 CE LYS A 50 13.671 6.843 5.501 1.00 2.35 C ATOM 336 NZ LYS A 50 13.601 6.510 6.949 1.00 3.05 N ATOM 0 H LYS A 50 9.088 7.716 3.666 1.00 0.30 H new ATOM 0 HA LYS A 50 8.995 8.977 6.303 1.00 0.37 H new ATOM 0 HB2 LYS A 50 10.849 9.344 3.930 1.00 0.42 H new ATOM 0 HB3 LYS A 50 11.037 10.116 5.492 1.00 0.42 H new ATOM 0 HG2 LYS A 50 11.318 7.923 6.577 1.00 1.14 H new ATOM 0 HG3 LYS A 50 11.039 7.107 5.051 1.00 1.14 H new ATOM 0 HD2 LYS A 50 13.044 8.355 4.109 1.00 1.67 H new ATOM 0 HD3 LYS A 50 13.359 8.957 5.724 1.00 1.67 H new ATOM 0 HE2 LYS A 50 13.253 6.020 4.920 1.00 2.35 H new ATOM 0 HE3 LYS A 50 14.715 6.945 5.204 1.00 2.35 H new ATOM 0 HZ1 LYS A 50 14.180 5.667 7.140 1.00 3.05 H new ATOM 0 HZ2 LYS A 50 13.961 7.310 7.507 1.00 3.05 H new ATOM 0 HZ3 LYS A 50 12.614 6.319 7.214 1.00 3.05 H new ATOM 350 N LEU A 51 8.171 10.446 3.465 1.00 0.38 N ATOM 351 CA LEU A 51 7.390 11.540 2.893 1.00 0.44 C ATOM 352 C LEU A 51 6.088 11.737 3.650 1.00 0.42 C ATOM 353 O LEU A 51 5.767 12.847 4.069 1.00 0.47 O ATOM 354 CB LEU A 51 7.065 11.268 1.420 1.00 0.48 C ATOM 355 CG LEU A 51 8.244 11.346 0.451 1.00 0.70 C ATOM 356 CD1 LEU A 51 7.789 11.016 -0.962 1.00 1.10 C ATOM 357 CD2 LEU A 51 8.875 12.725 0.497 1.00 1.22 C ATOM 0 H LEU A 51 8.476 9.751 2.783 1.00 0.38 H new ATOM 0 HA LEU A 51 7.996 12.443 2.974 1.00 0.44 H new ATOM 0 HB2 LEU A 51 6.622 10.275 1.343 1.00 0.48 H new ATOM 0 HB3 LEU A 51 6.307 11.982 1.097 1.00 0.48 H new ATOM 0 HG LEU A 51 8.992 10.614 0.754 1.00 0.70 H new ATOM 0 HD11 LEU A 51 8.639 11.076 -1.641 1.00 1.10 H new ATOM 0 HD12 LEU A 51 7.376 10.008 -0.985 1.00 1.10 H new ATOM 0 HD13 LEU A 51 7.025 11.728 -1.274 1.00 1.10 H new ATOM 0 HD21 LEU A 51 9.713 12.765 -0.199 1.00 1.22 H new ATOM 0 HD22 LEU A 51 8.134 13.474 0.216 1.00 1.22 H new ATOM 0 HD23 LEU A 51 9.231 12.929 1.507 1.00 1.22 H new ATOM 369 N MET A 52 5.348 10.652 3.846 1.00 0.39 N ATOM 370 CA MET A 52 4.047 10.725 4.495 1.00 0.37 C ATOM 371 C MET A 52 4.188 11.171 5.950 1.00 0.41 C ATOM 372 O MET A 52 3.305 11.830 6.495 1.00 0.47 O ATOM 373 CB MET A 52 3.337 9.367 4.410 1.00 0.33 C ATOM 374 CG MET A 52 4.064 8.241 5.120 1.00 1.29 C ATOM 375 SD MET A 52 3.271 6.640 4.887 1.00 1.25 S ATOM 376 CE MET A 52 3.413 6.440 3.111 1.00 0.31 C ATOM 0 H MET A 52 5.628 9.712 3.565 1.00 0.39 H new ATOM 0 HA MET A 52 3.443 11.468 3.974 1.00 0.37 H new ATOM 0 HB2 MET A 52 2.338 9.465 4.835 1.00 0.33 H new ATOM 0 HB3 MET A 52 3.212 9.100 3.361 1.00 0.33 H new ATOM 0 HG2 MET A 52 5.090 8.190 4.755 1.00 1.29 H new ATOM 0 HG3 MET A 52 4.116 8.464 6.186 1.00 1.29 H new ATOM 0 HE1 MET A 52 2.423 6.493 2.659 1.00 0.31 H new ATOM 0 HE2 MET A 52 4.040 7.233 2.705 1.00 0.31 H new ATOM 0 HE3 MET A 52 3.863 5.472 2.889 1.00 0.31 H new ATOM 386 N SER A 53 5.312 10.825 6.563 1.00 0.40 N ATOM 387 CA SER A 53 5.585 11.214 7.938 1.00 0.47 C ATOM 388 C SER A 53 6.051 12.673 8.014 1.00 0.50 C ATOM 389 O SER A 53 6.201 13.229 9.100 1.00 0.62 O ATOM 390 CB SER A 53 6.640 10.281 8.542 1.00 0.52 C ATOM 391 OG SER A 53 6.748 10.458 9.945 1.00 1.15 O ATOM 0 H SER A 53 6.051 10.274 6.127 1.00 0.40 H new ATOM 0 HA SER A 53 4.663 11.128 8.513 1.00 0.47 H new ATOM 0 HB2 SER A 53 6.379 9.245 8.324 1.00 0.52 H new ATOM 0 HB3 SER A 53 7.606 10.472 8.075 1.00 0.52 H new ATOM 0 HG SER A 53 6.581 11.397 10.170 1.00 1.15 H new ATOM 397 N SER A 54 6.266 13.293 6.858 1.00 0.49 N ATOM 398 CA SER A 54 6.725 14.676 6.807 1.00 0.53 C ATOM 399 C SER A 54 5.604 15.596 6.319 1.00 0.53 C ATOM 400 O SER A 54 5.727 16.821 6.340 1.00 0.53 O ATOM 401 CB SER A 54 7.939 14.784 5.883 1.00 0.60 C ATOM 402 OG SER A 54 8.931 13.827 6.231 1.00 1.30 O ATOM 0 H SER A 54 6.130 12.860 5.945 1.00 0.49 H new ATOM 0 HA SER A 54 7.012 14.989 7.811 1.00 0.53 H new ATOM 0 HB2 SER A 54 7.628 14.632 4.849 1.00 0.60 H new ATOM 0 HB3 SER A 54 8.359 15.788 5.945 1.00 0.60 H new ATOM 0 HG SER A 54 8.674 12.948 5.883 1.00 1.30 H new ATOM 408 N LEU A 55 4.514 14.985 5.876 1.00 0.54 N ATOM 409 CA LEU A 55 3.364 15.730 5.378 1.00 0.57 C ATOM 410 C LEU A 55 2.308 15.884 6.469 1.00 0.65 C ATOM 411 O LEU A 55 1.701 14.903 6.897 1.00 0.65 O ATOM 412 CB LEU A 55 2.765 15.026 4.157 1.00 0.51 C ATOM 413 CG LEU A 55 3.697 14.911 2.946 1.00 0.53 C ATOM 414 CD1 LEU A 55 2.980 14.242 1.787 1.00 0.56 C ATOM 415 CD2 LEU A 55 4.218 16.280 2.530 1.00 0.64 C ATOM 0 H LEU A 55 4.401 13.972 5.851 1.00 0.54 H new ATOM 0 HA LEU A 55 3.700 16.724 5.082 1.00 0.57 H new ATOM 0 HB2 LEU A 55 2.454 14.024 4.452 1.00 0.51 H new ATOM 0 HB3 LEU A 55 1.866 15.562 3.853 1.00 0.51 H new ATOM 0 HG LEU A 55 4.550 14.295 3.231 1.00 0.53 H new ATOM 0 HD11 LEU A 55 3.656 14.168 0.935 1.00 0.56 H new ATOM 0 HD12 LEU A 55 2.661 13.243 2.085 1.00 0.56 H new ATOM 0 HD13 LEU A 55 2.108 14.834 1.508 1.00 0.56 H new ATOM 0 HD21 LEU A 55 4.877 16.172 1.669 1.00 0.64 H new ATOM 0 HD22 LEU A 55 3.379 16.924 2.266 1.00 0.64 H new ATOM 0 HD23 LEU A 55 4.771 16.725 3.357 1.00 0.64 H new ATOM 427 N PRO A 56 2.080 17.122 6.943 1.00 0.81 N ATOM 428 CA PRO A 56 1.095 17.405 7.997 1.00 0.94 C ATOM 429 C PRO A 56 -0.334 17.106 7.551 1.00 0.88 C ATOM 430 O PRO A 56 -1.193 16.765 8.368 1.00 1.19 O ATOM 431 CB PRO A 56 1.265 18.907 8.264 1.00 1.14 C ATOM 432 CG PRO A 56 2.587 19.261 7.678 1.00 1.26 C ATOM 433 CD PRO A 56 2.773 18.343 6.509 1.00 0.98 C ATOM 0 HA PRO A 56 1.259 16.783 8.877 1.00 0.94 H new ATOM 0 HB2 PRO A 56 0.463 19.482 7.802 1.00 1.14 H new ATOM 0 HB3 PRO A 56 1.237 19.123 9.332 1.00 1.14 H new ATOM 0 HG2 PRO A 56 2.609 20.304 7.363 1.00 1.26 H new ATOM 0 HG3 PRO A 56 3.386 19.132 8.408 1.00 1.26 H new ATOM 0 HD2 PRO A 56 2.337 18.754 5.598 1.00 0.98 H new ATOM 0 HD3 PRO A 56 3.827 18.159 6.303 1.00 0.98 H new ATOM 441 N ASN A 57 -0.576 17.215 6.250 1.00 0.63 N ATOM 442 CA ASN A 57 -1.901 16.949 5.699 1.00 0.62 C ATOM 443 C ASN A 57 -2.164 15.455 5.656 1.00 0.57 C ATOM 444 O ASN A 57 -3.317 15.017 5.601 1.00 0.59 O ATOM 445 CB ASN A 57 -2.052 17.542 4.295 1.00 0.68 C ATOM 446 CG ASN A 57 -2.192 19.053 4.307 1.00 1.32 C ATOM 447 OD1 ASN A 57 -3.299 19.579 4.409 1.00 2.22 O ATOM 448 ND2 ASN A 57 -1.081 19.759 4.187 1.00 1.73 N ATOM 0 H ASN A 57 0.124 17.484 5.559 1.00 0.63 H new ATOM 0 HA ASN A 57 -2.632 17.426 6.351 1.00 0.62 H new ATOM 0 HB2 ASN A 57 -1.185 17.267 3.694 1.00 0.68 H new ATOM 0 HB3 ASN A 57 -2.926 17.104 3.813 1.00 0.68 H new ATOM 0 HD21 ASN A 57 -1.123 20.778 4.177 1.00 1.73 H new ATOM 0 HD22 ASN A 57 -0.182 19.285 4.105 1.00 1.73 H new ATOM 455 N PHE A 58 -1.082 14.678 5.681 1.00 0.62 N ATOM 456 CA PHE A 58 -1.176 13.223 5.679 1.00 0.70 C ATOM 457 C PHE A 58 -1.740 12.732 7.001 1.00 0.90 C ATOM 458 O PHE A 58 -1.022 12.291 7.901 1.00 1.77 O ATOM 459 CB PHE A 58 0.177 12.587 5.434 1.00 0.69 C ATOM 460 CG PHE A 58 0.105 11.109 5.186 1.00 0.65 C ATOM 461 CD1 PHE A 58 -0.307 10.619 3.960 1.00 0.89 C ATOM 462 CD2 PHE A 58 0.452 10.210 6.179 1.00 1.13 C ATOM 463 CE1 PHE A 58 -0.371 9.261 3.726 1.00 0.90 C ATOM 464 CE2 PHE A 58 0.389 8.852 5.952 1.00 1.15 C ATOM 465 CZ PHE A 58 -0.021 8.377 4.723 1.00 0.69 C ATOM 0 H PHE A 58 -0.127 15.036 5.703 1.00 0.62 H new ATOM 0 HA PHE A 58 -1.845 12.932 4.869 1.00 0.70 H new ATOM 0 HB2 PHE A 58 0.647 13.069 4.577 1.00 0.69 H new ATOM 0 HB3 PHE A 58 0.819 12.772 6.295 1.00 0.69 H new ATOM 0 HD1 PHE A 58 -0.582 11.309 3.176 1.00 0.89 H new ATOM 0 HD2 PHE A 58 0.776 10.576 7.142 1.00 1.13 H new ATOM 0 HE1 PHE A 58 -0.695 8.892 2.764 1.00 0.90 H new ATOM 0 HE2 PHE A 58 0.660 8.160 6.736 1.00 1.15 H new ATOM 0 HZ PHE A 58 -0.067 7.313 4.543 1.00 0.69 H new ATOM 475 N SER A 59 -3.032 12.845 7.089 1.00 0.91 N ATOM 476 CA SER A 59 -3.794 12.452 8.251 1.00 1.02 C ATOM 477 C SER A 59 -5.271 12.481 7.897 1.00 1.10 C ATOM 478 O SER A 59 -6.029 11.577 8.255 1.00 1.84 O ATOM 479 CB SER A 59 -3.495 13.389 9.424 1.00 1.21 C ATOM 480 OG SER A 59 -3.516 14.747 9.010 1.00 1.84 O ATOM 0 H SER A 59 -3.607 13.223 6.336 1.00 0.91 H new ATOM 0 HA SER A 59 -3.515 11.443 8.554 1.00 1.02 H new ATOM 0 HB2 SER A 59 -4.230 13.235 10.214 1.00 1.21 H new ATOM 0 HB3 SER A 59 -2.519 13.149 9.846 1.00 1.21 H new ATOM 0 HG SER A 59 -2.597 15.075 8.918 1.00 1.84 H new ATOM 486 N GLY A 60 -5.678 13.532 7.185 1.00 0.91 N ATOM 487 CA GLY A 60 -7.035 13.615 6.691 1.00 0.87 C ATOM 488 C GLY A 60 -7.232 12.838 5.404 1.00 0.66 C ATOM 489 O GLY A 60 -8.328 12.344 5.135 1.00 0.73 O ATOM 0 H GLY A 60 -5.086 14.327 6.944 1.00 0.91 H new ATOM 0 HA2 GLY A 60 -7.719 13.234 7.450 1.00 0.87 H new ATOM 0 HA3 GLY A 60 -7.294 14.660 6.524 1.00 0.87 H new ATOM 493 N ILE A 61 -6.178 12.717 4.603 1.00 0.50 N ATOM 494 CA ILE A 61 -6.273 11.952 3.367 1.00 0.54 C ATOM 495 C ILE A 61 -5.470 10.668 3.481 1.00 0.73 C ATOM 496 O ILE A 61 -4.531 10.588 4.275 1.00 1.81 O ATOM 497 CB ILE A 61 -5.818 12.733 2.095 1.00 0.58 C ATOM 498 CG1 ILE A 61 -4.283 12.809 1.945 1.00 0.64 C ATOM 499 CG2 ILE A 61 -6.420 14.132 2.089 1.00 0.79 C ATOM 500 CD1 ILE A 61 -3.607 13.742 2.909 1.00 0.78 C ATOM 0 H ILE A 61 -5.264 13.131 4.784 1.00 0.50 H new ATOM 0 HA ILE A 61 -7.334 11.736 3.237 1.00 0.54 H new ATOM 0 HB ILE A 61 -6.187 12.171 1.237 1.00 0.58 H new ATOM 0 HG12 ILE A 61 -3.868 11.809 2.075 1.00 0.64 H new ATOM 0 HG13 ILE A 61 -4.045 13.123 0.929 1.00 0.64 H new ATOM 0 HG21 ILE A 61 -6.094 14.665 1.196 1.00 0.79 H new ATOM 0 HG22 ILE A 61 -7.508 14.060 2.092 1.00 0.79 H new ATOM 0 HG23 ILE A 61 -6.090 14.674 2.975 1.00 0.79 H new ATOM 0 HD11 ILE A 61 -2.532 13.732 2.732 1.00 0.78 H new ATOM 0 HD12 ILE A 61 -3.989 14.753 2.766 1.00 0.78 H new ATOM 0 HD13 ILE A 61 -3.809 13.419 3.930 1.00 0.78 H new ATOM 512 N PHE A 62 -5.869 9.674 2.697 1.00 0.58 N ATOM 513 CA PHE A 62 -5.166 8.396 2.615 1.00 0.50 C ATOM 514 C PHE A 62 -5.219 7.654 3.947 1.00 0.51 C ATOM 515 O PHE A 62 -4.270 7.685 4.733 1.00 0.76 O ATOM 516 CB PHE A 62 -3.713 8.601 2.184 1.00 0.50 C ATOM 517 CG PHE A 62 -3.543 9.352 0.892 1.00 0.48 C ATOM 518 CD1 PHE A 62 -4.574 9.453 -0.029 1.00 0.48 C ATOM 519 CD2 PHE A 62 -2.336 9.955 0.600 1.00 0.63 C ATOM 520 CE1 PHE A 62 -4.400 10.139 -1.212 1.00 0.53 C ATOM 521 CE2 PHE A 62 -2.159 10.644 -0.580 1.00 0.68 C ATOM 522 CZ PHE A 62 -3.185 10.734 -1.484 1.00 0.59 C ATOM 0 H PHE A 62 -6.692 9.730 2.097 1.00 0.58 H new ATOM 0 HA PHE A 62 -5.670 7.789 1.863 1.00 0.50 H new ATOM 0 HB2 PHE A 62 -3.186 9.138 2.973 1.00 0.50 H new ATOM 0 HB3 PHE A 62 -3.235 7.626 2.088 1.00 0.50 H new ATOM 0 HD1 PHE A 62 -5.526 8.988 0.183 1.00 0.48 H new ATOM 0 HD2 PHE A 62 -1.521 9.886 1.305 1.00 0.63 H new ATOM 0 HE1 PHE A 62 -5.210 10.210 -1.922 1.00 0.53 H new ATOM 0 HE2 PHE A 62 -1.210 11.114 -0.793 1.00 0.68 H new ATOM 0 HZ PHE A 62 -3.043 11.271 -2.410 1.00 0.59 H new ATOM 532 N THR A 63 -6.325 6.972 4.178 1.00 0.34 N ATOM 533 CA THR A 63 -6.565 6.281 5.433 1.00 0.38 C ATOM 534 C THR A 63 -5.622 5.087 5.610 1.00 0.30 C ATOM 535 O THR A 63 -4.899 4.988 6.601 1.00 0.38 O ATOM 536 CB THR A 63 -8.020 5.778 5.490 1.00 0.48 C ATOM 537 OG1 THR A 63 -8.906 6.773 4.952 1.00 0.78 O ATOM 538 CG2 THR A 63 -8.425 5.453 6.920 1.00 0.66 C ATOM 0 H THR A 63 -7.083 6.881 3.502 1.00 0.34 H new ATOM 0 HA THR A 63 -6.380 6.993 6.237 1.00 0.38 H new ATOM 0 HB THR A 63 -8.090 4.869 4.893 1.00 0.48 H new ATOM 0 HG1 THR A 63 -8.882 6.737 3.973 1.00 0.78 H new ATOM 0 HG21 THR A 63 -9.456 5.100 6.935 1.00 0.66 H new ATOM 0 HG22 THR A 63 -7.770 4.677 7.316 1.00 0.66 H new ATOM 0 HG23 THR A 63 -8.339 6.349 7.535 1.00 0.66 H new ATOM 546 N HIS A 64 -5.626 4.190 4.633 1.00 0.26 N ATOM 547 CA HIS A 64 -4.912 2.918 4.752 1.00 0.25 C ATOM 548 C HIS A 64 -3.501 2.978 4.181 1.00 0.25 C ATOM 549 O HIS A 64 -2.704 2.071 4.411 1.00 0.54 O ATOM 550 CB HIS A 64 -5.700 1.792 4.089 1.00 0.33 C ATOM 551 CG HIS A 64 -6.864 1.334 4.912 1.00 0.43 C ATOM 552 ND1 HIS A 64 -6.876 0.140 5.592 1.00 0.86 N ATOM 553 CD2 HIS A 64 -8.045 1.927 5.179 1.00 0.71 C ATOM 554 CE1 HIS A 64 -8.016 0.019 6.244 1.00 0.83 C ATOM 555 NE2 HIS A 64 -8.749 1.093 6.015 1.00 0.68 N ATOM 0 H HIS A 64 -6.115 4.316 3.747 1.00 0.26 H new ATOM 0 HA HIS A 64 -4.819 2.714 5.819 1.00 0.25 H new ATOM 0 HB2 HIS A 64 -6.059 2.130 3.117 1.00 0.33 H new ATOM 0 HB3 HIS A 64 -5.035 0.948 3.907 1.00 0.33 H new ATOM 0 HD1 HIS A 64 -6.121 -0.546 5.592 1.00 0.86 H new ATOM 0 HD2 HIS A 64 -8.378 2.884 4.804 1.00 0.71 H new ATOM 0 HE1 HIS A 64 -8.302 -0.819 6.862 1.00 0.83 H new ATOM 564 N LEU A 65 -3.191 4.048 3.459 1.00 0.32 N ATOM 565 CA LEU A 65 -1.930 4.145 2.719 1.00 0.22 C ATOM 566 C LEU A 65 -0.721 4.037 3.644 1.00 0.20 C ATOM 567 O LEU A 65 0.229 3.312 3.348 1.00 0.24 O ATOM 568 CB LEU A 65 -1.865 5.462 1.935 1.00 0.29 C ATOM 569 CG LEU A 65 -2.650 5.504 0.610 1.00 0.36 C ATOM 570 CD1 LEU A 65 -2.110 4.482 -0.371 1.00 0.84 C ATOM 571 CD2 LEU A 65 -4.133 5.270 0.837 1.00 0.99 C ATOM 0 H LEU A 65 -3.795 4.865 3.367 1.00 0.32 H new ATOM 0 HA LEU A 65 -1.900 3.307 2.022 1.00 0.22 H new ATOM 0 HB2 LEU A 65 -2.234 6.262 2.577 1.00 0.29 H new ATOM 0 HB3 LEU A 65 -0.819 5.682 1.721 1.00 0.29 H new ATOM 0 HG LEU A 65 -2.521 6.501 0.188 1.00 0.36 H new ATOM 0 HD11 LEU A 65 -2.681 4.531 -1.298 1.00 0.84 H new ATOM 0 HD12 LEU A 65 -1.061 4.695 -0.578 1.00 0.84 H new ATOM 0 HD13 LEU A 65 -2.199 3.484 0.057 1.00 0.84 H new ATOM 0 HD21 LEU A 65 -4.657 5.306 -0.118 1.00 0.99 H new ATOM 0 HD22 LEU A 65 -4.281 4.292 1.296 1.00 0.99 H new ATOM 0 HD23 LEU A 65 -4.527 6.043 1.497 1.00 0.99 H new ATOM 583 N GLU A 66 -0.767 4.754 4.762 1.00 0.30 N ATOM 584 CA GLU A 66 0.326 4.753 5.732 1.00 0.40 C ATOM 585 C GLU A 66 0.645 3.332 6.186 1.00 0.38 C ATOM 586 O GLU A 66 1.784 2.869 6.097 1.00 0.38 O ATOM 587 CB GLU A 66 -0.057 5.603 6.943 1.00 0.53 C ATOM 588 CG GLU A 66 1.092 5.851 7.907 1.00 0.88 C ATOM 589 CD GLU A 66 0.661 6.629 9.130 1.00 1.12 C ATOM 590 OE1 GLU A 66 0.412 6.001 10.179 1.00 1.75 O ATOM 591 OE2 GLU A 66 0.568 7.872 9.054 1.00 1.75 O ATOM 0 H GLU A 66 -1.555 5.348 5.021 1.00 0.30 H new ATOM 0 HA GLU A 66 1.211 5.173 5.254 1.00 0.40 H new ATOM 0 HB2 GLU A 66 -0.441 6.562 6.595 1.00 0.53 H new ATOM 0 HB3 GLU A 66 -0.869 5.111 7.479 1.00 0.53 H new ATOM 0 HG2 GLU A 66 1.514 4.895 8.218 1.00 0.88 H new ATOM 0 HG3 GLU A 66 1.883 6.397 7.393 1.00 0.88 H new ATOM 598 N ARG A 67 -0.382 2.641 6.660 1.00 0.42 N ATOM 599 CA ARG A 67 -0.231 1.286 7.158 1.00 0.44 C ATOM 600 C ARG A 67 0.141 0.316 6.037 1.00 0.39 C ATOM 601 O ARG A 67 0.788 -0.701 6.278 1.00 0.40 O ATOM 602 CB ARG A 67 -1.519 0.833 7.840 1.00 0.54 C ATOM 603 CG ARG A 67 -1.461 -0.590 8.346 1.00 0.74 C ATOM 604 CD ARG A 67 -2.798 -1.034 8.891 1.00 0.86 C ATOM 605 NE ARG A 67 -2.915 -2.482 8.858 1.00 1.08 N ATOM 606 CZ ARG A 67 -4.050 -3.143 9.060 1.00 1.45 C ATOM 607 NH1 ARG A 67 -5.163 -2.488 9.369 1.00 1.71 N ATOM 608 NH2 ARG A 67 -4.071 -4.460 8.960 1.00 2.07 N ATOM 0 H ARG A 67 -1.335 3.002 6.709 1.00 0.42 H new ATOM 0 HA ARG A 67 0.582 1.284 7.884 1.00 0.44 H new ATOM 0 HB2 ARG A 67 -1.733 1.500 8.675 1.00 0.54 H new ATOM 0 HB3 ARG A 67 -2.346 0.927 7.137 1.00 0.54 H new ATOM 0 HG2 ARG A 67 -1.157 -1.254 7.537 1.00 0.74 H new ATOM 0 HG3 ARG A 67 -0.703 -0.670 9.125 1.00 0.74 H new ATOM 0 HD2 ARG A 67 -2.914 -0.679 9.915 1.00 0.86 H new ATOM 0 HD3 ARG A 67 -3.601 -0.587 8.305 1.00 0.86 H new ATOM 0 HE ARG A 67 -2.073 -3.025 8.668 1.00 1.08 H new ATOM 0 HH11 ARG A 67 -5.150 -1.472 9.453 1.00 1.71 H new ATOM 0 HH12 ARG A 67 -6.031 -3.001 9.523 1.00 1.71 H new ATOM 0 HH21 ARG A 67 -3.217 -4.968 8.728 1.00 2.07 H new ATOM 0 HH22 ARG A 67 -4.941 -4.969 9.115 1.00 2.07 H new ATOM 622 N LEU A 68 -0.248 0.635 4.808 1.00 0.35 N ATOM 623 CA LEU A 68 0.046 -0.238 3.676 1.00 0.34 C ATOM 624 C LEU A 68 1.526 -0.233 3.330 1.00 0.31 C ATOM 625 O LEU A 68 2.003 -1.122 2.635 1.00 0.40 O ATOM 626 CB LEU A 68 -0.799 0.118 2.454 1.00 0.33 C ATOM 627 CG LEU A 68 -2.250 -0.357 2.521 1.00 0.41 C ATOM 628 CD1 LEU A 68 -2.892 -0.286 1.152 1.00 0.37 C ATOM 629 CD2 LEU A 68 -2.332 -1.768 3.076 1.00 0.61 C ATOM 0 H LEU A 68 -0.763 1.483 4.570 1.00 0.35 H new ATOM 0 HA LEU A 68 -0.220 -1.250 3.981 1.00 0.34 H new ATOM 0 HB2 LEU A 68 -0.791 1.200 2.326 1.00 0.33 H new ATOM 0 HB3 LEU A 68 -0.331 -0.311 1.568 1.00 0.33 H new ATOM 0 HG LEU A 68 -2.795 0.304 3.195 1.00 0.41 H new ATOM 0 HD11 LEU A 68 -3.925 -0.628 1.216 1.00 0.37 H new ATOM 0 HD12 LEU A 68 -2.872 0.743 0.794 1.00 0.37 H new ATOM 0 HD13 LEU A 68 -2.342 -0.922 0.459 1.00 0.37 H new ATOM 0 HD21 LEU A 68 -3.374 -2.084 3.114 1.00 0.61 H new ATOM 0 HD22 LEU A 68 -1.771 -2.445 2.432 1.00 0.61 H new ATOM 0 HD23 LEU A 68 -1.910 -1.789 4.081 1.00 0.61 H new ATOM 641 N LEU A 69 2.258 0.739 3.846 1.00 0.27 N ATOM 642 CA LEU A 69 3.703 0.711 3.701 1.00 0.24 C ATOM 643 C LEU A 69 4.267 -0.165 4.805 1.00 0.25 C ATOM 644 O LEU A 69 5.243 -0.901 4.624 1.00 0.26 O ATOM 645 CB LEU A 69 4.335 2.110 3.756 1.00 0.25 C ATOM 646 CG LEU A 69 4.258 2.933 2.463 1.00 0.23 C ATOM 647 CD1 LEU A 69 5.588 3.596 2.166 1.00 0.25 C ATOM 648 CD2 LEU A 69 3.835 2.075 1.292 1.00 0.30 C ATOM 0 H LEU A 69 1.887 1.540 4.358 1.00 0.27 H new ATOM 0 HA LEU A 69 3.945 0.309 2.717 1.00 0.24 H new ATOM 0 HB2 LEU A 69 3.851 2.675 4.552 1.00 0.25 H new ATOM 0 HB3 LEU A 69 5.384 2.003 4.033 1.00 0.25 H new ATOM 0 HG LEU A 69 3.505 3.707 2.612 1.00 0.23 H new ATOM 0 HD11 LEU A 69 5.509 4.174 1.245 1.00 0.25 H new ATOM 0 HD12 LEU A 69 5.856 4.259 2.989 1.00 0.25 H new ATOM 0 HD13 LEU A 69 6.357 2.833 2.051 1.00 0.25 H new ATOM 0 HD21 LEU A 69 3.790 2.686 0.391 1.00 0.30 H new ATOM 0 HD22 LEU A 69 4.558 1.272 1.150 1.00 0.30 H new ATOM 0 HD23 LEU A 69 2.852 1.648 1.490 1.00 0.30 H new ATOM 660 N ASP A 70 3.587 -0.157 5.936 1.00 0.29 N ATOM 661 CA ASP A 70 4.040 -0.929 7.065 1.00 0.35 C ATOM 662 C ASP A 70 3.907 -2.400 6.730 1.00 0.38 C ATOM 663 O ASP A 70 4.821 -3.176 6.978 1.00 0.43 O ATOM 664 CB ASP A 70 3.257 -0.586 8.330 1.00 0.43 C ATOM 665 CG ASP A 70 3.722 -1.387 9.534 1.00 0.91 C ATOM 666 OD1 ASP A 70 3.154 -2.467 9.792 1.00 1.62 O ATOM 667 OD2 ASP A 70 4.662 -0.935 10.231 1.00 1.56 O ATOM 0 H ASP A 70 2.728 0.371 6.092 1.00 0.29 H new ATOM 0 HA ASP A 70 5.084 -0.689 7.266 1.00 0.35 H new ATOM 0 HB2 ASP A 70 3.363 0.478 8.542 1.00 0.43 H new ATOM 0 HB3 ASP A 70 2.197 -0.773 8.160 1.00 0.43 H new ATOM 672 N GLU A 71 2.772 -2.787 6.144 1.00 0.42 N ATOM 673 CA GLU A 71 2.601 -4.138 5.630 1.00 0.50 C ATOM 674 C GLU A 71 3.549 -4.419 4.465 1.00 0.45 C ATOM 675 O GLU A 71 4.375 -5.325 4.542 1.00 0.48 O ATOM 676 CB GLU A 71 1.158 -4.342 5.151 1.00 0.61 C ATOM 677 CG GLU A 71 0.085 -3.818 6.101 1.00 0.94 C ATOM 678 CD GLU A 71 0.079 -4.503 7.453 1.00 1.47 C ATOM 679 OE1 GLU A 71 0.694 -5.582 7.584 1.00 2.14 O ATOM 680 OE2 GLU A 71 -0.550 -3.964 8.391 1.00 2.18 O ATOM 0 H GLU A 71 1.961 -2.181 6.016 1.00 0.42 H new ATOM 0 HA GLU A 71 2.830 -4.827 6.443 1.00 0.50 H new ATOM 0 HB2 GLU A 71 1.039 -3.851 4.185 1.00 0.61 H new ATOM 0 HB3 GLU A 71 0.991 -5.407 4.990 1.00 0.61 H new ATOM 0 HG2 GLU A 71 0.233 -2.748 6.247 1.00 0.94 H new ATOM 0 HG3 GLU A 71 -0.893 -3.944 5.636 1.00 0.94 H new ATOM 687 N GLU A 72 3.444 -3.622 3.395 1.00 0.43 N ATOM 688 CA GLU A 72 4.151 -3.917 2.147 1.00 0.45 C ATOM 689 C GLU A 72 5.665 -3.851 2.337 1.00 0.42 C ATOM 690 O GLU A 72 6.385 -4.750 1.927 1.00 0.47 O ATOM 691 CB GLU A 72 3.725 -2.962 1.034 1.00 0.46 C ATOM 692 CG GLU A 72 4.168 -3.410 -0.353 1.00 0.57 C ATOM 693 CD GLU A 72 3.439 -4.654 -0.843 1.00 0.91 C ATOM 694 OE1 GLU A 72 2.325 -4.942 -0.346 1.00 1.69 O ATOM 695 OE2 GLU A 72 3.974 -5.339 -1.733 1.00 1.33 O ATOM 0 H GLU A 72 2.879 -2.773 3.370 1.00 0.43 H new ATOM 0 HA GLU A 72 3.883 -4.933 1.858 1.00 0.45 H new ATOM 0 HB2 GLU A 72 2.640 -2.864 1.046 1.00 0.46 H new ATOM 0 HB3 GLU A 72 4.137 -1.973 1.237 1.00 0.46 H new ATOM 0 HG2 GLU A 72 4.002 -2.597 -1.060 1.00 0.57 H new ATOM 0 HG3 GLU A 72 5.240 -3.607 -0.339 1.00 0.57 H new ATOM 702 N ILE A 73 6.135 -2.810 3.012 1.00 0.35 N ATOM 703 CA ILE A 73 7.567 -2.633 3.237 1.00 0.34 C ATOM 704 C ILE A 73 8.099 -3.788 4.061 1.00 0.40 C ATOM 705 O ILE A 73 9.182 -4.315 3.804 1.00 0.45 O ATOM 706 CB ILE A 73 7.879 -1.297 3.949 1.00 0.29 C ATOM 707 CG1 ILE A 73 7.788 -0.148 2.953 1.00 0.27 C ATOM 708 CG2 ILE A 73 9.242 -1.318 4.626 1.00 0.33 C ATOM 709 CD1 ILE A 73 8.034 1.210 3.567 1.00 0.27 C ATOM 0 H ILE A 73 5.550 -2.077 3.413 1.00 0.35 H new ATOM 0 HA ILE A 73 8.057 -2.611 2.263 1.00 0.34 H new ATOM 0 HB ILE A 73 7.136 -1.152 4.734 1.00 0.29 H new ATOM 0 HG12 ILE A 73 8.512 -0.313 2.155 1.00 0.27 H new ATOM 0 HG13 ILE A 73 6.800 -0.155 2.493 1.00 0.27 H new ATOM 0 HG21 ILE A 73 9.421 -0.360 5.114 1.00 0.33 H new ATOM 0 HG22 ILE A 73 9.266 -2.114 5.370 1.00 0.33 H new ATOM 0 HG23 ILE A 73 10.016 -1.495 3.880 1.00 0.33 H new ATOM 0 HD11 ILE A 73 7.953 1.977 2.797 1.00 0.27 H new ATOM 0 HD12 ILE A 73 7.294 1.397 4.345 1.00 0.27 H new ATOM 0 HD13 ILE A 73 9.033 1.237 4.002 1.00 0.27 H new ATOM 721 N SER A 74 7.320 -4.197 5.043 1.00 0.41 N ATOM 722 CA SER A 74 7.715 -5.325 5.880 1.00 0.49 C ATOM 723 C SER A 74 7.696 -6.649 5.105 1.00 0.54 C ATOM 724 O SER A 74 8.647 -7.428 5.190 1.00 0.60 O ATOM 725 CB SER A 74 6.834 -5.412 7.121 1.00 0.52 C ATOM 726 OG SER A 74 6.983 -4.250 7.917 1.00 1.34 O ATOM 0 H SER A 74 6.422 -3.776 5.283 1.00 0.41 H new ATOM 0 HA SER A 74 8.743 -5.150 6.196 1.00 0.49 H new ATOM 0 HB2 SER A 74 5.791 -5.527 6.826 1.00 0.52 H new ATOM 0 HB3 SER A 74 7.100 -6.295 7.702 1.00 0.52 H new ATOM 0 HG SER A 74 6.168 -3.709 7.861 1.00 1.34 H new ATOM 732 N ARG A 75 6.641 -6.885 4.329 1.00 0.55 N ATOM 733 CA ARG A 75 6.499 -8.154 3.611 1.00 0.63 C ATOM 734 C ARG A 75 7.529 -8.259 2.489 1.00 0.65 C ATOM 735 O ARG A 75 8.130 -9.312 2.301 1.00 0.72 O ATOM 736 CB ARG A 75 5.076 -8.345 3.059 1.00 0.74 C ATOM 737 CG ARG A 75 4.634 -7.256 2.101 1.00 0.76 C ATOM 738 CD ARG A 75 3.245 -7.509 1.531 1.00 1.25 C ATOM 739 NE ARG A 75 2.214 -7.578 2.568 1.00 1.84 N ATOM 740 CZ ARG A 75 1.052 -6.917 2.521 1.00 2.73 C ATOM 741 NH1 ARG A 75 0.812 -6.030 1.561 1.00 3.05 N ATOM 742 NH2 ARG A 75 0.139 -7.117 3.462 1.00 3.67 N ATOM 0 H ARG A 75 5.878 -6.224 4.180 1.00 0.55 H new ATOM 0 HA ARG A 75 6.681 -8.954 4.328 1.00 0.63 H new ATOM 0 HB2 ARG A 75 5.021 -9.307 2.549 1.00 0.74 H new ATOM 0 HB3 ARG A 75 4.376 -8.386 3.894 1.00 0.74 H new ATOM 0 HG2 ARG A 75 4.642 -6.297 2.618 1.00 0.76 H new ATOM 0 HG3 ARG A 75 5.351 -7.183 1.283 1.00 0.76 H new ATOM 0 HD2 ARG A 75 2.995 -6.715 0.828 1.00 1.25 H new ATOM 0 HD3 ARG A 75 3.252 -8.442 0.968 1.00 1.25 H new ATOM 0 HE ARG A 75 2.393 -8.169 3.380 1.00 1.84 H new ATOM 0 HH11 ARG A 75 1.518 -5.846 0.848 1.00 3.05 H new ATOM 0 HH12 ARG A 75 -0.078 -5.533 1.537 1.00 3.05 H new ATOM 0 HH21 ARG A 75 0.323 -7.774 4.220 1.00 3.67 H new ATOM 0 HH22 ARG A 75 -0.748 -6.614 3.428 1.00 3.67 H new ATOM 756 N VAL A 76 7.747 -7.158 1.768 1.00 0.62 N ATOM 757 CA VAL A 76 8.734 -7.112 0.687 1.00 0.67 C ATOM 758 C VAL A 76 10.125 -7.507 1.186 1.00 0.71 C ATOM 759 O VAL A 76 10.905 -8.116 0.456 1.00 0.84 O ATOM 760 CB VAL A 76 8.795 -5.702 0.037 1.00 0.61 C ATOM 761 CG1 VAL A 76 9.973 -5.577 -0.917 1.00 0.64 C ATOM 762 CG2 VAL A 76 7.504 -5.390 -0.705 1.00 0.58 C ATOM 0 H VAL A 76 7.249 -6.280 1.915 1.00 0.62 H new ATOM 0 HA VAL A 76 8.414 -7.832 -0.066 1.00 0.67 H new ATOM 0 HB VAL A 76 8.926 -4.982 0.845 1.00 0.61 H new ATOM 0 HG11 VAL A 76 9.984 -4.578 -1.353 1.00 0.64 H new ATOM 0 HG12 VAL A 76 10.902 -5.745 -0.372 1.00 0.64 H new ATOM 0 HG13 VAL A 76 9.879 -6.318 -1.711 1.00 0.64 H new ATOM 0 HG21 VAL A 76 7.571 -4.398 -1.151 1.00 0.58 H new ATOM 0 HG22 VAL A 76 7.347 -6.131 -1.489 1.00 0.58 H new ATOM 0 HG23 VAL A 76 6.667 -5.418 -0.007 1.00 0.58 H new ATOM 772 N ARG A 77 10.413 -7.200 2.445 1.00 0.65 N ATOM 773 CA ARG A 77 11.736 -7.448 3.000 1.00 0.73 C ATOM 774 C ARG A 77 12.008 -8.944 3.168 1.00 0.86 C ATOM 775 O ARG A 77 13.149 -9.385 3.041 1.00 0.98 O ATOM 776 CB ARG A 77 11.919 -6.700 4.323 1.00 0.75 C ATOM 777 CG ARG A 77 12.188 -5.217 4.125 1.00 0.81 C ATOM 778 CD ARG A 77 12.392 -4.483 5.441 1.00 0.84 C ATOM 779 NE ARG A 77 11.132 -4.237 6.139 1.00 1.39 N ATOM 780 CZ ARG A 77 11.049 -3.631 7.323 1.00 1.71 C ATOM 781 NH1 ARG A 77 12.148 -3.220 7.944 1.00 1.45 N ATOM 782 NH2 ARG A 77 9.865 -3.434 7.893 1.00 2.73 N ATOM 0 H ARG A 77 9.751 -6.781 3.098 1.00 0.65 H new ATOM 0 HA ARG A 77 12.469 -7.066 2.289 1.00 0.73 H new ATOM 0 HB2 ARG A 77 11.024 -6.825 4.933 1.00 0.75 H new ATOM 0 HB3 ARG A 77 12.746 -7.145 4.876 1.00 0.75 H new ATOM 0 HG2 ARG A 77 13.073 -5.091 3.501 1.00 0.81 H new ATOM 0 HG3 ARG A 77 11.353 -4.768 3.587 1.00 0.81 H new ATOM 0 HD2 ARG A 77 13.052 -5.067 6.082 1.00 0.84 H new ATOM 0 HD3 ARG A 77 12.891 -3.533 5.251 1.00 0.84 H new ATOM 0 HE ARG A 77 10.267 -4.547 5.695 1.00 1.39 H new ATOM 0 HH11 ARG A 77 13.062 -3.367 7.515 1.00 1.45 H new ATOM 0 HH12 ARG A 77 12.079 -2.757 8.850 1.00 1.45 H new ATOM 0 HH21 ARG A 77 9.015 -3.747 7.424 1.00 2.73 H new ATOM 0 HH22 ARG A 77 9.806 -2.970 8.799 1.00 2.73 H new ATOM 796 N LYS A 78 10.969 -9.724 3.444 1.00 0.90 N ATOM 797 CA LYS A 78 11.111 -11.177 3.495 1.00 1.08 C ATOM 798 C LYS A 78 10.896 -11.776 2.119 1.00 1.11 C ATOM 799 O LYS A 78 11.672 -12.610 1.658 1.00 1.32 O ATOM 800 CB LYS A 78 10.098 -11.801 4.450 1.00 1.13 C ATOM 801 CG LYS A 78 10.279 -11.408 5.896 1.00 1.35 C ATOM 802 CD LYS A 78 9.446 -10.194 6.226 1.00 2.01 C ATOM 803 CE LYS A 78 9.734 -9.699 7.634 1.00 2.67 C ATOM 804 NZ LYS A 78 8.933 -8.499 7.979 1.00 3.44 N ATOM 0 H LYS A 78 10.028 -9.381 3.634 1.00 0.90 H new ATOM 0 HA LYS A 78 12.120 -11.390 3.849 1.00 1.08 H new ATOM 0 HB2 LYS A 78 9.095 -11.517 4.132 1.00 1.13 H new ATOM 0 HB3 LYS A 78 10.163 -12.886 4.370 1.00 1.13 H new ATOM 0 HG2 LYS A 78 9.993 -12.238 6.542 1.00 1.35 H new ATOM 0 HG3 LYS A 78 11.330 -11.198 6.092 1.00 1.35 H new ATOM 0 HD2 LYS A 78 9.654 -9.400 5.508 1.00 2.01 H new ATOM 0 HD3 LYS A 78 8.388 -10.439 6.133 1.00 2.01 H new ATOM 0 HE2 LYS A 78 9.520 -10.494 8.348 1.00 2.67 H new ATOM 0 HE3 LYS A 78 10.795 -9.465 7.726 1.00 2.67 H new ATOM 0 HZ1 LYS A 78 9.476 -7.894 8.628 1.00 3.44 H new ATOM 0 HZ2 LYS A 78 8.713 -7.968 7.113 1.00 3.44 H new ATOM 0 HZ3 LYS A 78 8.048 -8.793 8.439 1.00 3.44 H new ATOM 999 N THR B 38 -11.132 -7.504 5.541 1.00 0.97 N ATOM 1000 CA THR B 38 -12.538 -7.299 5.839 1.00 0.84 C ATOM 1001 C THR B 38 -13.147 -6.306 4.856 1.00 0.72 C ATOM 1002 O THR B 38 -12.412 -5.581 4.179 1.00 0.66 O ATOM 1003 CB THR B 38 -12.732 -6.777 7.279 1.00 0.79 C ATOM 1004 OG1 THR B 38 -11.937 -5.601 7.481 1.00 0.85 O ATOM 1005 CG2 THR B 38 -12.349 -7.837 8.300 1.00 0.95 C ATOM 0 HA THR B 38 -13.041 -8.262 5.745 1.00 0.84 H new ATOM 0 HB THR B 38 -13.786 -6.534 7.415 1.00 0.79 H new ATOM 0 HG1 THR B 38 -12.065 -5.273 8.396 1.00 0.85 H new ATOM 0 HG21 THR B 38 -12.495 -7.443 9.306 1.00 0.95 H new ATOM 0 HG22 THR B 38 -12.975 -8.719 8.161 1.00 0.95 H new ATOM 0 HG23 THR B 38 -11.302 -8.110 8.166 1.00 0.95 H new ATOM 1013 N PRO B 39 -14.480 -6.264 4.733 1.00 0.74 N ATOM 1014 CA PRO B 39 -15.147 -5.279 3.884 1.00 0.70 C ATOM 1015 C PRO B 39 -14.795 -3.854 4.293 1.00 0.62 C ATOM 1016 O PRO B 39 -14.476 -3.025 3.448 1.00 0.56 O ATOM 1017 CB PRO B 39 -16.633 -5.542 4.109 1.00 0.78 C ATOM 1018 CG PRO B 39 -16.705 -6.947 4.602 1.00 0.87 C ATOM 1019 CD PRO B 39 -15.439 -7.176 5.380 1.00 0.83 C ATOM 0 HA PRO B 39 -14.847 -5.372 2.840 1.00 0.70 H new ATOM 0 HB2 PRO B 39 -17.051 -4.846 4.836 1.00 0.78 H new ATOM 0 HB3 PRO B 39 -17.200 -5.418 3.186 1.00 0.78 H new ATOM 0 HG2 PRO B 39 -17.582 -7.096 5.231 1.00 0.87 H new ATOM 0 HG3 PRO B 39 -16.786 -7.649 3.772 1.00 0.87 H new ATOM 0 HD2 PRO B 39 -15.567 -6.942 6.437 1.00 0.83 H new ATOM 0 HD3 PRO B 39 -15.111 -8.214 5.321 1.00 0.83 H new ATOM 1027 N ASP B 40 -14.827 -3.586 5.598 1.00 0.65 N ATOM 1028 CA ASP B 40 -14.489 -2.262 6.127 1.00 0.64 C ATOM 1029 C ASP B 40 -13.096 -1.833 5.678 1.00 0.57 C ATOM 1030 O ASP B 40 -12.876 -0.680 5.298 1.00 0.57 O ATOM 1031 CB ASP B 40 -14.565 -2.268 7.656 1.00 0.72 C ATOM 1032 CG ASP B 40 -14.106 -0.957 8.264 1.00 1.44 C ATOM 1033 OD1 ASP B 40 -12.911 -0.844 8.602 1.00 2.22 O ATOM 1034 OD2 ASP B 40 -14.938 -0.036 8.408 1.00 2.16 O ATOM 0 H ASP B 40 -15.084 -4.269 6.311 1.00 0.65 H new ATOM 0 HA ASP B 40 -15.212 -1.547 5.735 1.00 0.64 H new ATOM 0 HB2 ASP B 40 -15.591 -2.469 7.965 1.00 0.72 H new ATOM 0 HB3 ASP B 40 -13.950 -3.080 8.044 1.00 0.72 H new ATOM 1039 N TYR B 41 -12.167 -2.783 5.702 1.00 0.57 N ATOM 1040 CA TYR B 41 -10.802 -2.555 5.249 1.00 0.54 C ATOM 1041 C TYR B 41 -10.810 -2.136 3.782 1.00 0.46 C ATOM 1042 O TYR B 41 -10.065 -1.245 3.368 1.00 0.43 O ATOM 1043 CB TYR B 41 -9.995 -3.848 5.428 1.00 0.61 C ATOM 1044 CG TYR B 41 -8.499 -3.718 5.225 1.00 0.63 C ATOM 1045 CD1 TYR B 41 -7.929 -3.808 3.961 1.00 0.64 C ATOM 1046 CD2 TYR B 41 -7.653 -3.541 6.311 1.00 0.84 C ATOM 1047 CE1 TYR B 41 -6.558 -3.725 3.788 1.00 0.69 C ATOM 1048 CE2 TYR B 41 -6.286 -3.451 6.145 1.00 0.88 C ATOM 1049 CZ TYR B 41 -5.744 -3.549 4.883 1.00 0.73 C ATOM 1050 OH TYR B 41 -4.381 -3.473 4.714 1.00 0.82 O ATOM 0 H TYR B 41 -12.340 -3.731 6.036 1.00 0.57 H new ATOM 0 HA TYR B 41 -10.344 -1.759 5.836 1.00 0.54 H new ATOM 0 HB2 TYR B 41 -10.176 -4.232 6.432 1.00 0.61 H new ATOM 0 HB3 TYR B 41 -10.375 -4.593 4.729 1.00 0.61 H new ATOM 0 HD1 TYR B 41 -8.566 -3.945 3.100 1.00 0.64 H new ATOM 0 HD2 TYR B 41 -8.072 -3.472 7.304 1.00 0.84 H new ATOM 0 HE1 TYR B 41 -6.130 -3.798 2.799 1.00 0.69 H new ATOM 0 HE2 TYR B 41 -5.644 -3.304 7.001 1.00 0.88 H new ATOM 0 HH TYR B 41 -4.058 -2.608 5.042 1.00 0.82 H new ATOM 1060 N LEU B 42 -11.693 -2.762 3.014 1.00 0.44 N ATOM 1061 CA LEU B 42 -11.762 -2.543 1.579 1.00 0.39 C ATOM 1062 C LEU B 42 -12.556 -1.284 1.231 1.00 0.36 C ATOM 1063 O LEU B 42 -12.236 -0.597 0.265 1.00 0.34 O ATOM 1064 CB LEU B 42 -12.388 -3.761 0.893 1.00 0.43 C ATOM 1065 CG LEU B 42 -12.596 -3.625 -0.617 1.00 0.41 C ATOM 1066 CD1 LEU B 42 -11.267 -3.435 -1.327 1.00 0.37 C ATOM 1067 CD2 LEU B 42 -13.330 -4.839 -1.164 1.00 0.48 C ATOM 0 H LEU B 42 -12.377 -3.431 3.368 1.00 0.44 H new ATOM 0 HA LEU B 42 -10.743 -2.402 1.218 1.00 0.39 H new ATOM 0 HB2 LEU B 42 -11.754 -4.628 1.079 1.00 0.43 H new ATOM 0 HB3 LEU B 42 -13.352 -3.965 1.359 1.00 0.43 H new ATOM 0 HG LEU B 42 -13.208 -2.742 -0.802 1.00 0.41 H new ATOM 0 HD11 LEU B 42 -11.438 -3.340 -2.399 1.00 0.37 H new ATOM 0 HD12 LEU B 42 -10.782 -2.532 -0.956 1.00 0.37 H new ATOM 0 HD13 LEU B 42 -10.626 -4.296 -1.136 1.00 0.37 H new ATOM 0 HD21 LEU B 42 -13.470 -4.726 -2.239 1.00 0.48 H new ATOM 0 HD22 LEU B 42 -12.745 -5.737 -0.967 1.00 0.48 H new ATOM 0 HD23 LEU B 42 -14.302 -4.925 -0.679 1.00 0.48 H new ATOM 1079 N MET B 43 -13.563 -0.954 2.036 1.00 0.39 N ATOM 1080 CA MET B 43 -14.458 0.157 1.711 1.00 0.40 C ATOM 1081 C MET B 43 -13.713 1.467 1.870 1.00 0.36 C ATOM 1082 O MET B 43 -13.891 2.413 1.097 1.00 0.36 O ATOM 1083 CB MET B 43 -15.698 0.171 2.614 1.00 0.47 C ATOM 1084 CG MET B 43 -16.586 -1.065 2.517 1.00 0.63 C ATOM 1085 SD MET B 43 -17.140 -1.430 0.838 1.00 0.85 S ATOM 1086 CE MET B 43 -15.908 -2.625 0.319 1.00 0.54 C ATOM 0 H MET B 43 -13.780 -1.434 2.910 1.00 0.39 H new ATOM 0 HA MET B 43 -14.790 0.028 0.681 1.00 0.40 H new ATOM 0 HB2 MET B 43 -15.373 0.285 3.648 1.00 0.47 H new ATOM 0 HB3 MET B 43 -16.296 1.049 2.369 1.00 0.47 H new ATOM 0 HG2 MET B 43 -16.040 -1.925 2.905 1.00 0.63 H new ATOM 0 HG3 MET B 43 -17.458 -0.926 3.156 1.00 0.63 H new ATOM 0 HE1 MET B 43 -15.391 -2.254 -0.566 1.00 0.54 H new ATOM 0 HE2 MET B 43 -15.188 -2.777 1.123 1.00 0.54 H new ATOM 0 HE3 MET B 43 -16.395 -3.571 0.084 1.00 0.54 H new ATOM 1096 N GLN B 44 -12.841 1.487 2.860 1.00 0.36 N ATOM 1097 CA GLN B 44 -12.047 2.666 3.141 1.00 0.35 C ATOM 1098 C GLN B 44 -10.958 2.808 2.095 1.00 0.30 C ATOM 1099 O GLN B 44 -10.620 3.916 1.685 1.00 0.30 O ATOM 1100 CB GLN B 44 -11.447 2.598 4.540 1.00 0.42 C ATOM 1101 CG GLN B 44 -12.486 2.694 5.642 1.00 0.52 C ATOM 1102 CD GLN B 44 -11.856 2.749 7.013 1.00 0.64 C ATOM 1103 OE1 GLN B 44 -11.523 3.824 7.507 1.00 0.92 O ATOM 1104 NE2 GLN B 44 -11.704 1.596 7.641 1.00 0.75 N ATOM 0 H GLN B 44 -12.665 0.699 3.483 1.00 0.36 H new ATOM 0 HA GLN B 44 -12.693 3.543 3.101 1.00 0.35 H new ATOM 0 HB2 GLN B 44 -10.898 1.662 4.648 1.00 0.42 H new ATOM 0 HB3 GLN B 44 -10.725 3.406 4.658 1.00 0.42 H new ATOM 0 HG2 GLN B 44 -13.096 3.584 5.488 1.00 0.52 H new ATOM 0 HG3 GLN B 44 -13.155 1.835 5.585 1.00 0.52 H new ATOM 0 HE21 GLN B 44 -11.995 0.728 7.191 1.00 0.75 H new ATOM 0 HE22 GLN B 44 -11.295 1.574 8.575 1.00 0.75 H new ATOM 1113 N LEU B 45 -10.431 1.673 1.647 1.00 0.27 N ATOM 1114 CA LEU B 45 -9.447 1.654 0.575 1.00 0.25 C ATOM 1115 C LEU B 45 -10.015 2.240 -0.707 1.00 0.23 C ATOM 1116 O LEU B 45 -9.316 2.938 -1.444 1.00 0.23 O ATOM 1117 CB LEU B 45 -8.978 0.225 0.308 1.00 0.29 C ATOM 1118 CG LEU B 45 -7.829 -0.264 1.185 1.00 0.32 C ATOM 1119 CD1 LEU B 45 -7.509 -1.723 0.885 1.00 0.38 C ATOM 1120 CD2 LEU B 45 -6.610 0.606 0.951 1.00 0.31 C ATOM 0 H LEU B 45 -10.671 0.752 2.013 1.00 0.27 H new ATOM 0 HA LEU B 45 -8.603 2.264 0.895 1.00 0.25 H new ATOM 0 HB2 LEU B 45 -9.825 -0.448 0.441 1.00 0.29 H new ATOM 0 HB3 LEU B 45 -8.673 0.150 -0.736 1.00 0.29 H new ATOM 0 HG LEU B 45 -8.124 -0.193 2.232 1.00 0.32 H new ATOM 0 HD11 LEU B 45 -6.687 -2.053 1.520 1.00 0.38 H new ATOM 0 HD12 LEU B 45 -8.389 -2.336 1.081 1.00 0.38 H new ATOM 0 HD13 LEU B 45 -7.222 -1.825 -0.162 1.00 0.38 H new ATOM 0 HD21 LEU B 45 -5.789 0.257 1.577 1.00 0.31 H new ATOM 0 HD22 LEU B 45 -6.317 0.548 -0.097 1.00 0.31 H new ATOM 0 HD23 LEU B 45 -6.846 1.639 1.205 1.00 0.31 H new ATOM 1132 N MET B 46 -11.291 1.972 -0.960 1.00 0.26 N ATOM 1133 CA MET B 46 -11.930 2.431 -2.183 1.00 0.27 C ATOM 1134 C MET B 46 -11.943 3.944 -2.242 1.00 0.26 C ATOM 1135 O MET B 46 -11.808 4.528 -3.314 1.00 0.40 O ATOM 1136 CB MET B 46 -13.364 1.922 -2.299 1.00 0.33 C ATOM 1137 CG MET B 46 -13.489 0.413 -2.333 1.00 0.38 C ATOM 1138 SD MET B 46 -15.149 -0.126 -2.785 1.00 0.49 S ATOM 1139 CE MET B 46 -16.147 0.904 -1.710 1.00 0.49 C ATOM 0 H MET B 46 -11.899 1.442 -0.336 1.00 0.26 H new ATOM 0 HA MET B 46 -11.348 2.031 -3.013 1.00 0.27 H new ATOM 0 HB2 MET B 46 -13.942 2.304 -1.457 1.00 0.33 H new ATOM 0 HB3 MET B 46 -13.811 2.332 -3.205 1.00 0.33 H new ATOM 0 HG2 MET B 46 -12.771 0.007 -3.046 1.00 0.38 H new ATOM 0 HG3 MET B 46 -13.231 0.007 -1.355 1.00 0.38 H new ATOM 0 HE1 MET B 46 -17.085 0.396 -1.487 1.00 0.49 H new ATOM 0 HE2 MET B 46 -15.607 1.092 -0.782 1.00 0.49 H new ATOM 0 HE3 MET B 46 -16.357 1.852 -2.206 1.00 0.49 H new ATOM 1149 N ASN B 47 -12.064 4.591 -1.089 1.00 0.24 N ATOM 1150 CA ASN B 47 -12.165 6.038 -1.053 1.00 0.30 C ATOM 1151 C ASN B 47 -10.778 6.659 -1.098 1.00 0.26 C ATOM 1152 O ASN B 47 -10.595 7.751 -1.631 1.00 0.28 O ATOM 1153 CB ASN B 47 -12.916 6.485 0.208 1.00 0.42 C ATOM 1154 CG ASN B 47 -12.777 7.971 0.495 1.00 0.80 C ATOM 1155 OD1 ASN B 47 -13.484 8.800 -0.081 1.00 1.60 O ATOM 1156 ND2 ASN B 47 -11.886 8.315 1.413 1.00 1.43 N ATOM 0 H ASN B 47 -12.094 4.138 -0.176 1.00 0.24 H new ATOM 0 HA ASN B 47 -12.725 6.376 -1.925 1.00 0.30 H new ATOM 0 HB2 ASN B 47 -13.973 6.240 0.099 1.00 0.42 H new ATOM 0 HB3 ASN B 47 -12.544 5.920 1.063 1.00 0.42 H new ATOM 0 HD21 ASN B 47 -11.767 9.296 1.665 1.00 1.43 H new ATOM 0 HD22 ASN B 47 -11.319 7.599 1.867 1.00 1.43 H new ATOM 1163 N ASP B 48 -9.791 5.931 -0.583 1.00 0.24 N ATOM 1164 CA ASP B 48 -8.417 6.417 -0.567 1.00 0.25 C ATOM 1165 C ASP B 48 -7.874 6.432 -1.988 1.00 0.25 C ATOM 1166 O ASP B 48 -7.225 7.392 -2.416 1.00 0.30 O ATOM 1167 CB ASP B 48 -7.523 5.529 0.308 1.00 0.25 C ATOM 1168 CG ASP B 48 -7.787 5.659 1.799 1.00 0.29 C ATOM 1169 OD1 ASP B 48 -8.263 6.727 2.243 1.00 0.93 O ATOM 1170 OD2 ASP B 48 -7.469 4.705 2.546 1.00 0.74 O ATOM 0 H ASP B 48 -9.917 5.006 -0.173 1.00 0.24 H new ATOM 0 HA ASP B 48 -8.414 7.424 -0.149 1.00 0.25 H new ATOM 0 HB2 ASP B 48 -7.664 4.489 0.014 1.00 0.25 H new ATOM 0 HB3 ASP B 48 -6.480 5.777 0.112 1.00 0.25 H new ATOM 1175 N LYS B 49 -8.159 5.353 -2.712 1.00 0.22 N ATOM 1176 CA LYS B 49 -7.779 5.215 -4.112 1.00 0.27 C ATOM 1177 C LYS B 49 -8.410 6.321 -4.962 1.00 0.33 C ATOM 1178 O LYS B 49 -7.873 6.701 -6.000 1.00 0.44 O ATOM 1179 CB LYS B 49 -8.205 3.830 -4.622 1.00 0.31 C ATOM 1180 CG LYS B 49 -7.254 3.219 -5.647 1.00 0.58 C ATOM 1181 CD LYS B 49 -7.355 3.898 -7.004 1.00 0.92 C ATOM 1182 CE LYS B 49 -8.624 3.498 -7.742 1.00 1.45 C ATOM 1183 NZ LYS B 49 -8.690 2.032 -7.995 1.00 2.10 N ATOM 0 H LYS B 49 -8.662 4.547 -2.341 1.00 0.22 H new ATOM 0 HA LYS B 49 -6.696 5.311 -4.196 1.00 0.27 H new ATOM 0 HB2 LYS B 49 -8.289 3.153 -3.772 1.00 0.31 H new ATOM 0 HB3 LYS B 49 -9.197 3.909 -5.066 1.00 0.31 H new ATOM 0 HG2 LYS B 49 -6.230 3.295 -5.280 1.00 0.58 H new ATOM 0 HG3 LYS B 49 -7.475 2.157 -5.757 1.00 0.58 H new ATOM 0 HD2 LYS B 49 -7.337 4.980 -6.872 1.00 0.92 H new ATOM 0 HD3 LYS B 49 -6.486 3.636 -7.607 1.00 0.92 H new ATOM 0 HE2 LYS B 49 -9.493 3.804 -7.159 1.00 1.45 H new ATOM 0 HE3 LYS B 49 -8.673 4.031 -8.691 1.00 1.45 H new ATOM 0 HZ1 LYS B 49 -9.349 1.844 -8.777 1.00 2.10 H new ATOM 0 HZ2 LYS B 49 -7.744 1.680 -8.247 1.00 2.10 H new ATOM 0 HZ3 LYS B 49 -9.023 1.546 -7.138 1.00 2.10 H new ATOM 1197 N LYS B 50 -9.525 6.872 -4.501 1.00 0.30 N ATOM 1198 CA LYS B 50 -10.194 7.935 -5.237 1.00 0.37 C ATOM 1199 C LYS B 50 -9.630 9.284 -4.807 1.00 0.39 C ATOM 1200 O LYS B 50 -9.444 10.183 -5.632 1.00 0.44 O ATOM 1201 CB LYS B 50 -11.704 7.889 -5.004 1.00 0.42 C ATOM 1202 CG LYS B 50 -12.347 6.594 -5.470 1.00 1.14 C ATOM 1203 CD LYS B 50 -13.829 6.557 -5.141 1.00 1.67 C ATOM 1204 CE LYS B 50 -14.435 5.194 -5.444 1.00 2.35 C ATOM 1205 NZ LYS B 50 -14.319 4.835 -6.884 1.00 3.05 N ATOM 0 H LYS B 50 -9.981 6.603 -3.629 1.00 0.30 H new ATOM 0 HA LYS B 50 -10.015 7.793 -6.303 1.00 0.37 H new ATOM 0 HB2 LYS B 50 -11.904 8.024 -3.941 1.00 0.42 H new ATOM 0 HB3 LYS B 50 -12.170 8.725 -5.525 1.00 0.42 H new ATOM 0 HG2 LYS B 50 -12.210 6.485 -6.546 1.00 1.14 H new ATOM 0 HG3 LYS B 50 -11.847 5.748 -4.998 1.00 1.14 H new ATOM 0 HD2 LYS B 50 -13.975 6.795 -4.087 1.00 1.67 H new ATOM 0 HD3 LYS B 50 -14.349 7.323 -5.716 1.00 1.67 H new ATOM 0 HE2 LYS B 50 -13.937 4.435 -4.841 1.00 2.35 H new ATOM 0 HE3 LYS B 50 -15.486 5.193 -5.154 1.00 2.35 H new ATOM 0 HZ1 LYS B 50 -14.833 3.949 -7.063 1.00 3.05 H new ATOM 0 HZ2 LYS B 50 -14.727 5.595 -7.465 1.00 3.05 H new ATOM 0 HZ3 LYS B 50 -13.317 4.710 -7.131 1.00 3.05 H new ATOM 1219 N LEU B 51 -9.364 9.420 -3.506 1.00 0.38 N ATOM 1220 CA LEU B 51 -8.703 10.604 -2.963 1.00 0.44 C ATOM 1221 C LEU B 51 -7.428 10.919 -3.726 1.00 0.43 C ATOM 1222 O LEU B 51 -7.231 12.044 -4.179 1.00 0.47 O ATOM 1223 CB LEU B 51 -8.358 10.409 -1.482 1.00 0.48 C ATOM 1224 CG LEU B 51 -9.541 10.388 -0.518 1.00 0.70 C ATOM 1225 CD1 LEU B 51 -9.057 10.148 0.904 1.00 1.10 C ATOM 1226 CD2 LEU B 51 -10.313 11.692 -0.601 1.00 1.22 C ATOM 0 H LEU B 51 -9.600 8.717 -2.806 1.00 0.38 H new ATOM 0 HA LEU B 51 -9.400 11.436 -3.068 1.00 0.44 H new ATOM 0 HB2 LEU B 51 -7.812 9.471 -1.377 1.00 0.48 H new ATOM 0 HB3 LEU B 51 -7.681 11.208 -1.179 1.00 0.48 H new ATOM 0 HG LEU B 51 -10.207 9.573 -0.801 1.00 0.70 H new ATOM 0 HD11 LEU B 51 -9.911 10.135 1.582 1.00 1.10 H new ATOM 0 HD12 LEU B 51 -8.539 9.190 0.955 1.00 1.10 H new ATOM 0 HD13 LEU B 51 -8.374 10.946 1.196 1.00 1.10 H new ATOM 0 HD21 LEU B 51 -11.154 11.662 0.092 1.00 1.22 H new ATOM 0 HD22 LEU B 51 -9.656 12.521 -0.339 1.00 1.22 H new ATOM 0 HD23 LEU B 51 -10.685 11.831 -1.616 1.00 1.22 H new ATOM 1238 N MET B 52 -6.577 9.915 -3.890 1.00 0.39 N ATOM 1239 CA MET B 52 -5.290 10.108 -4.541 1.00 0.37 C ATOM 1240 C MET B 52 -5.476 10.499 -6.006 1.00 0.41 C ATOM 1241 O MET B 52 -4.677 11.246 -6.564 1.00 0.47 O ATOM 1242 CB MET B 52 -4.440 8.837 -4.419 1.00 0.33 C ATOM 1243 CG MET B 52 -5.041 7.620 -5.099 1.00 1.29 C ATOM 1244 SD MET B 52 -4.084 6.118 -4.820 1.00 1.25 S ATOM 1245 CE MET B 52 -4.207 5.955 -3.039 1.00 0.32 C ATOM 0 H MET B 52 -6.755 8.959 -3.581 1.00 0.39 H new ATOM 0 HA MET B 52 -4.767 10.924 -4.041 1.00 0.37 H new ATOM 0 HB2 MET B 52 -3.456 9.029 -4.846 1.00 0.33 H new ATOM 0 HB3 MET B 52 -4.291 8.613 -3.363 1.00 0.33 H new ATOM 0 HG2 MET B 52 -6.057 7.471 -4.734 1.00 1.29 H new ATOM 0 HG3 MET B 52 -5.111 7.806 -6.171 1.00 1.29 H new ATOM 0 HE1 MET B 52 -3.216 6.054 -2.595 1.00 0.32 H new ATOM 0 HE2 MET B 52 -4.860 6.735 -2.647 1.00 0.32 H new ATOM 0 HE3 MET B 52 -4.620 4.977 -2.791 1.00 0.32 H new ATOM 1255 N SER B 53 -6.552 10.016 -6.613 1.00 0.41 N ATOM 1256 CA SER B 53 -6.858 10.336 -7.999 1.00 0.47 C ATOM 1257 C SER B 53 -7.477 11.734 -8.116 1.00 0.51 C ATOM 1258 O SER B 53 -7.677 12.244 -9.218 1.00 0.62 O ATOM 1259 CB SER B 53 -7.804 9.278 -8.577 1.00 0.52 C ATOM 1260 OG SER B 53 -7.940 9.415 -9.982 1.00 1.15 O ATOM 0 H SER B 53 -7.229 9.399 -6.164 1.00 0.41 H new ATOM 0 HA SER B 53 -5.930 10.334 -8.570 1.00 0.47 H new ATOM 0 HB2 SER B 53 -7.426 8.283 -8.342 1.00 0.52 H new ATOM 0 HB3 SER B 53 -8.783 9.367 -8.105 1.00 0.52 H new ATOM 0 HG SER B 53 -7.762 10.344 -10.239 1.00 1.15 H new ATOM 1266 N SER B 54 -7.765 12.357 -6.978 1.00 0.49 N ATOM 1267 CA SER B 54 -8.366 13.685 -6.968 1.00 0.54 C ATOM 1268 C SER B 54 -7.351 14.730 -6.506 1.00 0.53 C ATOM 1269 O SER B 54 -7.603 15.932 -6.562 1.00 0.53 O ATOM 1270 CB SER B 54 -9.588 13.692 -6.048 1.00 0.60 C ATOM 1271 OG SER B 54 -10.472 12.627 -6.367 1.00 1.30 O ATOM 0 H SER B 54 -7.592 11.964 -6.053 1.00 0.49 H new ATOM 0 HA SER B 54 -8.680 13.937 -7.981 1.00 0.54 H new ATOM 0 HB2 SER B 54 -9.267 13.604 -5.010 1.00 0.60 H new ATOM 0 HB3 SER B 54 -10.111 14.644 -6.140 1.00 0.60 H new ATOM 0 HG SER B 54 -10.132 11.793 -5.980 1.00 1.30 H new ATOM 1277 N LEU B 55 -6.205 14.253 -6.041 1.00 0.55 N ATOM 1278 CA LEU B 55 -5.145 15.131 -5.564 1.00 0.57 C ATOM 1279 C LEU B 55 -4.107 15.371 -6.655 1.00 0.65 C ATOM 1280 O LEU B 55 -3.387 14.454 -7.045 1.00 0.65 O ATOM 1281 CB LEU B 55 -4.478 14.533 -4.323 1.00 0.51 C ATOM 1282 CG LEU B 55 -5.395 14.350 -3.111 1.00 0.53 C ATOM 1283 CD1 LEU B 55 -4.615 13.795 -1.934 1.00 0.56 C ATOM 1284 CD2 LEU B 55 -6.060 15.666 -2.733 1.00 0.65 C ATOM 0 H LEU B 55 -5.985 13.259 -5.984 1.00 0.55 H new ATOM 0 HA LEU B 55 -5.591 16.089 -5.298 1.00 0.57 H new ATOM 0 HB2 LEU B 55 -4.057 13.563 -4.589 1.00 0.51 H new ATOM 0 HB3 LEU B 55 -3.645 15.174 -4.034 1.00 0.51 H new ATOM 0 HG LEU B 55 -6.175 13.637 -3.379 1.00 0.53 H new ATOM 0 HD11 LEU B 55 -5.282 13.671 -1.081 1.00 0.56 H new ATOM 0 HD12 LEU B 55 -4.188 12.829 -2.204 1.00 0.56 H new ATOM 0 HD13 LEU B 55 -3.814 14.485 -1.670 1.00 0.56 H new ATOM 0 HD21 LEU B 55 -6.707 15.512 -1.869 1.00 0.65 H new ATOM 0 HD22 LEU B 55 -5.295 16.403 -2.487 1.00 0.65 H new ATOM 0 HD23 LEU B 55 -6.655 16.027 -3.572 1.00 0.65 H new ATOM 1296 N PRO B 56 -4.013 16.611 -7.164 1.00 0.81 N ATOM 1297 CA PRO B 56 -3.059 16.968 -8.225 1.00 0.95 C ATOM 1298 C PRO B 56 -1.608 16.838 -7.769 1.00 0.88 C ATOM 1299 O PRO B 56 -0.712 16.573 -8.570 1.00 1.19 O ATOM 1300 CB PRO B 56 -3.386 18.436 -8.534 1.00 1.14 C ATOM 1301 CG PRO B 56 -4.740 18.664 -7.956 1.00 1.26 C ATOM 1302 CD PRO B 56 -4.831 17.764 -6.762 1.00 0.98 C ATOM 0 HA PRO B 56 -3.153 16.307 -9.087 1.00 0.95 H new ATOM 0 HB2 PRO B 56 -2.650 19.106 -8.089 1.00 1.14 H new ATOM 0 HB3 PRO B 56 -3.379 18.623 -9.608 1.00 1.14 H new ATOM 0 HG2 PRO B 56 -4.872 19.707 -7.670 1.00 1.26 H new ATOM 0 HG3 PRO B 56 -5.519 18.431 -8.682 1.00 1.26 H new ATOM 0 HD2 PRO B 56 -4.442 18.243 -5.863 1.00 0.98 H new ATOM 0 HD3 PRO B 56 -5.861 17.476 -6.550 1.00 0.98 H new ATOM 1310 N ASN B 57 -1.385 17.006 -6.469 1.00 0.63 N ATOM 1311 CA ASN B 57 -0.041 16.898 -5.913 1.00 0.62 C ATOM 1312 C ASN B 57 0.382 15.442 -5.834 1.00 0.57 C ATOM 1313 O ASN B 57 1.577 15.134 -5.773 1.00 0.59 O ATOM 1314 CB ASN B 57 0.039 17.540 -4.524 1.00 0.68 C ATOM 1315 CG ASN B 57 0.016 19.055 -4.578 1.00 1.32 C ATOM 1316 OD1 ASN B 57 1.058 19.695 -4.698 1.00 2.22 O ATOM 1317 ND2 ASN B 57 -1.166 19.640 -4.473 1.00 1.73 N ATOM 0 H ASN B 57 -2.112 17.216 -5.785 1.00 0.63 H new ATOM 0 HA ASN B 57 0.638 17.434 -6.577 1.00 0.62 H new ATOM 0 HB2 ASN B 57 -0.796 17.189 -3.917 1.00 0.68 H new ATOM 0 HB3 ASN B 57 0.953 17.212 -4.029 1.00 0.68 H new ATOM 0 HD21 ASN B 57 -1.235 20.658 -4.490 1.00 1.73 H new ATOM 0 HD22 ASN B 57 -2.009 19.073 -4.375 1.00 1.73 H new ATOM 1324 N PHE B 58 -0.609 14.553 -5.837 1.00 0.62 N ATOM 1325 CA PHE B 58 -0.362 13.118 -5.797 1.00 0.70 C ATOM 1326 C PHE B 58 0.255 12.656 -7.104 1.00 0.90 C ATOM 1327 O PHE B 58 -0.409 12.116 -7.992 1.00 1.77 O ATOM 1328 CB PHE B 58 -1.639 12.350 -5.532 1.00 0.69 C ATOM 1329 CG PHE B 58 -1.412 10.895 -5.243 1.00 0.65 C ATOM 1330 CD1 PHE B 58 -0.954 10.487 -4.004 1.00 0.90 C ATOM 1331 CD2 PHE B 58 -1.658 9.937 -6.211 1.00 1.13 C ATOM 1332 CE1 PHE B 58 -0.746 9.150 -3.732 1.00 0.90 C ATOM 1333 CE2 PHE B 58 -1.449 8.601 -5.946 1.00 1.15 C ATOM 1334 CZ PHE B 58 -0.995 8.206 -4.704 1.00 0.69 C ATOM 0 H PHE B 58 -1.597 14.806 -5.867 1.00 0.62 H new ATOM 0 HA PHE B 58 0.332 12.920 -4.980 1.00 0.70 H new ATOM 0 HB2 PHE B 58 -2.158 12.804 -4.688 1.00 0.69 H new ATOM 0 HB3 PHE B 58 -2.296 12.443 -6.397 1.00 0.69 H new ATOM 0 HD1 PHE B 58 -0.757 11.224 -3.239 1.00 0.90 H new ATOM 0 HD2 PHE B 58 -2.017 10.239 -7.184 1.00 1.13 H new ATOM 0 HE1 PHE B 58 -0.389 8.845 -2.760 1.00 0.90 H new ATOM 0 HE2 PHE B 58 -1.641 7.863 -6.711 1.00 1.15 H new ATOM 0 HZ PHE B 58 -0.835 7.159 -4.494 1.00 0.69 H new ATOM 1344 N SER B 59 1.530 12.906 -7.195 1.00 0.91 N ATOM 1345 CA SER B 59 2.333 12.564 -8.344 1.00 1.02 C ATOM 1346 C SER B 59 3.798 12.757 -7.987 1.00 1.10 C ATOM 1347 O SER B 59 4.645 11.925 -8.312 1.00 1.84 O ATOM 1348 CB SER B 59 1.942 13.435 -9.543 1.00 1.21 C ATOM 1349 OG SER B 59 1.825 14.801 -9.166 1.00 1.84 O ATOM 0 H SER B 59 2.058 13.366 -6.454 1.00 0.91 H new ATOM 0 HA SER B 59 2.163 11.524 -8.622 1.00 1.02 H new ATOM 0 HB2 SER B 59 2.690 13.334 -10.329 1.00 1.21 H new ATOM 0 HB3 SER B 59 0.996 13.086 -9.957 1.00 1.21 H new ATOM 0 HG SER B 59 0.878 15.032 -9.062 1.00 1.84 H new ATOM 1355 N GLY B 60 4.089 13.864 -7.302 1.00 0.91 N ATOM 1356 CA GLY B 60 5.429 14.104 -6.811 1.00 0.88 C ATOM 1357 C GLY B 60 5.703 13.396 -5.501 1.00 0.67 C ATOM 1358 O GLY B 60 6.845 13.039 -5.212 1.00 0.74 O ATOM 0 H GLY B 60 3.415 14.597 -7.081 1.00 0.91 H new ATOM 0 HA2 GLY B 60 6.151 13.772 -7.557 1.00 0.88 H new ATOM 0 HA3 GLY B 60 5.577 15.176 -6.679 1.00 0.88 H new ATOM 1362 N ILE B 61 4.663 13.180 -4.699 1.00 0.51 N ATOM 1363 CA ILE B 61 4.835 12.463 -3.442 1.00 0.54 C ATOM 1364 C ILE B 61 4.174 11.099 -3.520 1.00 0.73 C ATOM 1365 O ILE B 61 3.248 10.897 -4.310 1.00 1.81 O ATOM 1366 CB ILE B 61 4.295 13.226 -2.193 1.00 0.58 C ATOM 1367 CG1 ILE B 61 2.760 13.143 -2.047 1.00 0.64 C ATOM 1368 CG2 ILE B 61 4.743 14.681 -2.225 1.00 0.79 C ATOM 1369 CD1 ILE B 61 1.991 13.972 -3.039 1.00 0.79 C ATOM 0 H ILE B 61 3.709 13.486 -4.893 1.00 0.51 H new ATOM 0 HA ILE B 61 5.912 12.364 -3.306 1.00 0.54 H new ATOM 0 HB ILE B 61 4.720 12.730 -1.320 1.00 0.58 H new ATOM 0 HG12 ILE B 61 2.454 12.102 -2.149 1.00 0.64 H new ATOM 0 HG13 ILE B 61 2.486 13.458 -1.040 1.00 0.64 H new ATOM 0 HG21 ILE B 61 4.358 15.200 -1.347 1.00 0.79 H new ATOM 0 HG22 ILE B 61 5.832 14.726 -2.225 1.00 0.79 H new ATOM 0 HG23 ILE B 61 4.360 15.160 -3.126 1.00 0.79 H new ATOM 0 HD11 ILE B 61 0.922 13.853 -2.862 1.00 0.79 H new ATOM 0 HD12 ILE B 61 2.263 15.021 -2.924 1.00 0.79 H new ATOM 0 HD13 ILE B 61 2.230 13.644 -4.050 1.00 0.79 H new ATOM 1381 N PHE B 62 4.678 10.174 -2.710 1.00 0.58 N ATOM 1382 CA PHE B 62 4.114 8.832 -2.593 1.00 0.50 C ATOM 1383 C PHE B 62 4.252 8.061 -3.903 1.00 0.51 C ATOM 1384 O PHE B 62 3.309 7.965 -4.690 1.00 0.76 O ATOM 1385 CB PHE B 62 2.645 8.894 -2.171 1.00 0.50 C ATOM 1386 CG PHE B 62 2.393 9.657 -0.900 1.00 0.48 C ATOM 1387 CD1 PHE B 62 3.406 9.892 0.018 1.00 0.48 C ATOM 1388 CD2 PHE B 62 1.129 10.135 -0.625 1.00 0.64 C ATOM 1389 CE1 PHE B 62 3.154 10.586 1.181 1.00 0.53 C ATOM 1390 CE2 PHE B 62 0.875 10.831 0.535 1.00 0.68 C ATOM 1391 CZ PHE B 62 1.882 11.056 1.437 1.00 0.59 C ATOM 0 H PHE B 62 5.491 10.333 -2.115 1.00 0.58 H new ATOM 0 HA PHE B 62 4.676 8.304 -1.823 1.00 0.50 H new ATOM 0 HB2 PHE B 62 2.068 9.351 -2.975 1.00 0.50 H new ATOM 0 HB3 PHE B 62 2.272 7.877 -2.050 1.00 0.50 H new ATOM 0 HD1 PHE B 62 4.403 9.527 -0.181 1.00 0.48 H new ATOM 0 HD2 PHE B 62 0.328 9.961 -1.329 1.00 0.64 H new ATOM 0 HE1 PHE B 62 3.949 10.762 1.890 1.00 0.53 H new ATOM 0 HE2 PHE B 62 -0.120 11.201 0.735 1.00 0.68 H new ATOM 0 HZ PHE B 62 1.680 11.601 2.347 1.00 0.59 H new ATOM 1401 N THR B 63 5.426 7.498 -4.112 1.00 0.35 N ATOM 1402 CA THR B 63 5.745 6.805 -5.347 1.00 0.38 C ATOM 1403 C THR B 63 4.935 5.517 -5.499 1.00 0.30 C ATOM 1404 O THR B 63 4.236 5.328 -6.492 1.00 0.38 O ATOM 1405 CB THR B 63 7.245 6.456 -5.391 1.00 0.49 C ATOM 1406 OG1 THR B 63 8.015 7.551 -4.870 1.00 0.79 O ATOM 1407 CG2 THR B 63 7.690 6.143 -6.813 1.00 0.66 C ATOM 0 H THR B 63 6.186 7.507 -3.432 1.00 0.35 H new ATOM 0 HA THR B 63 5.491 7.476 -6.167 1.00 0.38 H new ATOM 0 HB THR B 63 7.409 5.570 -4.777 1.00 0.49 H new ATOM 0 HG1 THR B 63 7.993 7.529 -3.890 1.00 0.79 H new ATOM 0 HG21 THR B 63 8.753 5.900 -6.817 1.00 0.66 H new ATOM 0 HG22 THR B 63 7.122 5.294 -7.193 1.00 0.66 H new ATOM 0 HG23 THR B 63 7.514 7.011 -7.449 1.00 0.66 H new ATOM 1415 N HIS B 64 5.028 4.647 -4.501 1.00 0.26 N ATOM 1416 CA HIS B 64 4.453 3.303 -4.588 1.00 0.25 C ATOM 1417 C HIS B 64 3.041 3.227 -4.017 1.00 0.25 C ATOM 1418 O HIS B 64 2.348 2.231 -4.213 1.00 0.54 O ATOM 1419 CB HIS B 64 5.355 2.286 -3.891 1.00 0.34 C ATOM 1420 CG HIS B 64 6.566 1.933 -4.696 1.00 0.43 C ATOM 1421 ND1 HIS B 64 6.709 0.728 -5.342 1.00 0.86 N ATOM 1422 CD2 HIS B 64 7.677 2.642 -4.980 1.00 0.71 C ATOM 1423 CE1 HIS B 64 7.855 0.711 -5.990 1.00 0.83 C ATOM 1424 NE2 HIS B 64 8.468 1.864 -5.794 1.00 0.68 N ATOM 0 H HIS B 64 5.497 4.846 -3.617 1.00 0.26 H new ATOM 0 HA HIS B 64 4.385 3.062 -5.649 1.00 0.25 H new ATOM 0 HB2 HIS B 64 5.670 2.687 -2.928 1.00 0.34 H new ATOM 0 HB3 HIS B 64 4.784 1.380 -3.688 1.00 0.34 H new ATOM 0 HD1 HIS B 64 6.032 -0.035 -5.322 1.00 0.86 H new ATOM 0 HD2 HIS B 64 7.905 3.639 -4.632 1.00 0.71 H new ATOM 0 HE1 HIS B 64 8.231 -0.109 -6.583 1.00 0.83 H new ATOM 1433 N LEU B 65 2.618 4.276 -3.323 1.00 0.32 N ATOM 1434 CA LEU B 65 1.353 4.256 -2.584 1.00 0.22 C ATOM 1435 C LEU B 65 0.164 3.993 -3.506 1.00 0.21 C ATOM 1436 O LEU B 65 -0.702 3.178 -3.187 1.00 0.24 O ATOM 1437 CB LEU B 65 1.146 5.580 -1.837 1.00 0.29 C ATOM 1438 CG LEU B 65 1.916 5.741 -0.512 1.00 0.36 C ATOM 1439 CD1 LEU B 65 1.485 4.695 0.497 1.00 0.84 C ATOM 1440 CD2 LEU B 65 3.415 5.662 -0.732 1.00 0.99 C ATOM 0 H LEU B 65 3.131 5.155 -3.254 1.00 0.32 H new ATOM 0 HA LEU B 65 1.411 3.440 -1.864 1.00 0.22 H new ATOM 0 HB2 LEU B 65 1.432 6.396 -2.501 1.00 0.29 H new ATOM 0 HB3 LEU B 65 0.082 5.694 -1.631 1.00 0.29 H new ATOM 0 HG LEU B 65 1.678 6.728 -0.116 1.00 0.36 H new ATOM 0 HD11 LEU B 65 2.044 4.831 1.423 1.00 0.84 H new ATOM 0 HD12 LEU B 65 0.419 4.800 0.697 1.00 0.84 H new ATOM 0 HD13 LEU B 65 1.682 3.700 0.097 1.00 0.84 H new ATOM 0 HD21 LEU B 65 3.929 5.779 0.222 1.00 0.99 H new ATOM 0 HD22 LEU B 65 3.669 4.694 -1.165 1.00 0.99 H new ATOM 0 HD23 LEU B 65 3.725 6.456 -1.412 1.00 0.99 H new ATOM 1452 N GLU B 66 0.135 4.679 -4.642 1.00 0.31 N ATOM 1453 CA GLU B 66 -0.949 4.534 -5.609 1.00 0.40 C ATOM 1454 C GLU B 66 -1.114 3.078 -6.030 1.00 0.38 C ATOM 1455 O GLU B 66 -2.204 2.505 -5.945 1.00 0.38 O ATOM 1456 CB GLU B 66 -0.656 5.392 -6.839 1.00 0.53 C ATOM 1457 CG GLU B 66 -1.818 5.493 -7.812 1.00 0.88 C ATOM 1458 CD GLU B 66 -1.457 6.279 -9.050 1.00 1.12 C ATOM 1459 OE1 GLU B 66 -1.121 5.651 -10.075 1.00 1.75 O ATOM 1460 OE2 GLU B 66 -1.494 7.527 -9.003 1.00 1.75 O ATOM 0 H GLU B 66 0.855 5.346 -4.919 1.00 0.31 H new ATOM 0 HA GLU B 66 -1.876 4.864 -5.139 1.00 0.40 H new ATOM 0 HB2 GLU B 66 -0.380 6.395 -6.513 1.00 0.53 H new ATOM 0 HB3 GLU B 66 0.207 4.978 -7.361 1.00 0.53 H new ATOM 0 HG2 GLU B 66 -2.137 4.491 -8.100 1.00 0.88 H new ATOM 0 HG3 GLU B 66 -2.665 5.967 -7.316 1.00 0.88 H new ATOM 1467 N ARG B 67 -0.019 2.487 -6.477 1.00 0.42 N ATOM 1468 CA ARG B 67 -0.021 1.110 -6.942 1.00 0.44 C ATOM 1469 C ARG B 67 -0.290 0.136 -5.794 1.00 0.39 C ATOM 1470 O ARG B 67 -0.825 -0.950 -6.007 1.00 0.40 O ATOM 1471 CB ARG B 67 1.311 0.780 -7.611 1.00 0.54 C ATOM 1472 CG ARG B 67 1.407 -0.654 -8.080 1.00 0.74 C ATOM 1473 CD ARG B 67 2.788 -0.968 -8.608 1.00 0.86 C ATOM 1474 NE ARG B 67 3.058 -2.392 -8.533 1.00 1.08 N ATOM 1475 CZ ARG B 67 4.255 -2.934 -8.720 1.00 1.45 C ATOM 1476 NH1 ARG B 67 5.294 -2.174 -9.048 1.00 1.71 N ATOM 1477 NH2 ARG B 67 4.415 -4.238 -8.581 1.00 2.07 N ATOM 0 H ARG B 67 0.891 2.944 -6.528 1.00 0.42 H new ATOM 0 HA ARG B 67 -0.825 1.001 -7.670 1.00 0.44 H new ATOM 0 HB2 ARG B 67 1.456 1.444 -8.463 1.00 0.54 H new ATOM 0 HB3 ARG B 67 2.121 0.980 -6.910 1.00 0.54 H new ATOM 0 HG2 ARG B 67 1.170 -1.325 -7.255 1.00 0.74 H new ATOM 0 HG3 ARG B 67 0.667 -0.834 -8.860 1.00 0.74 H new ATOM 0 HD2 ARG B 67 2.872 -0.631 -9.641 1.00 0.86 H new ATOM 0 HD3 ARG B 67 3.535 -0.421 -8.033 1.00 0.86 H new ATOM 0 HE ARG B 67 2.279 -3.016 -8.323 1.00 1.08 H new ATOM 0 HH11 ARG B 67 5.175 -1.167 -9.158 1.00 1.71 H new ATOM 0 HH12 ARG B 67 6.211 -2.598 -9.190 1.00 1.71 H new ATOM 0 HH21 ARG B 67 3.620 -4.826 -8.331 1.00 2.07 H new ATOM 0 HH22 ARG B 67 5.334 -4.657 -8.724 1.00 2.07 H new ATOM 1491 N LEU B 68 0.061 0.529 -4.575 1.00 0.36 N ATOM 1492 CA LEU B 68 -0.140 -0.336 -3.418 1.00 0.34 C ATOM 1493 C LEU B 68 -1.612 -0.480 -3.069 1.00 0.31 C ATOM 1494 O LEU B 68 -1.994 -1.393 -2.346 1.00 0.41 O ATOM 1495 CB LEU B 68 0.658 0.144 -2.208 1.00 0.33 C ATOM 1496 CG LEU B 68 2.151 -0.176 -2.261 1.00 0.41 C ATOM 1497 CD1 LEU B 68 2.777 -0.003 -0.894 1.00 0.37 C ATOM 1498 CD2 LEU B 68 2.382 -1.586 -2.778 1.00 0.62 C ATOM 0 H LEU B 68 0.483 1.433 -4.363 1.00 0.36 H new ATOM 0 HA LEU B 68 0.234 -1.322 -3.696 1.00 0.34 H new ATOM 0 HB2 LEU B 68 0.535 1.223 -2.113 1.00 0.33 H new ATOM 0 HB3 LEU B 68 0.235 -0.306 -1.309 1.00 0.33 H new ATOM 0 HG LEU B 68 2.626 0.521 -2.951 1.00 0.41 H new ATOM 0 HD11 LEU B 68 3.841 -0.235 -0.949 1.00 0.37 H new ATOM 0 HD12 LEU B 68 2.647 1.027 -0.562 1.00 0.37 H new ATOM 0 HD13 LEU B 68 2.295 -0.676 -0.185 1.00 0.37 H new ATOM 0 HD21 LEU B 68 3.452 -1.792 -2.807 1.00 0.62 H new ATOM 0 HD22 LEU B 68 1.893 -2.301 -2.116 1.00 0.62 H new ATOM 0 HD23 LEU B 68 1.967 -1.678 -3.782 1.00 0.62 H new ATOM 1510 N LEU B 69 -2.443 0.392 -3.612 1.00 0.27 N ATOM 1511 CA LEU B 69 -3.878 0.215 -3.466 1.00 0.24 C ATOM 1512 C LEU B 69 -4.340 -0.748 -4.543 1.00 0.25 C ATOM 1513 O LEU B 69 -5.223 -1.586 -4.338 1.00 0.26 O ATOM 1514 CB LEU B 69 -4.654 1.537 -3.562 1.00 0.25 C ATOM 1515 CG LEU B 69 -4.671 2.397 -2.291 1.00 0.24 C ATOM 1516 CD1 LEU B 69 -6.064 2.922 -2.015 1.00 0.26 C ATOM 1517 CD2 LEU B 69 -4.163 1.619 -1.096 1.00 0.30 C ATOM 0 H LEU B 69 -2.159 1.213 -4.147 1.00 0.27 H new ATOM 0 HA LEU B 69 -4.080 -0.181 -2.471 1.00 0.24 H new ATOM 0 HB2 LEU B 69 -4.227 2.128 -4.372 1.00 0.25 H new ATOM 0 HB3 LEU B 69 -5.684 1.312 -3.839 1.00 0.25 H new ATOM 0 HG LEU B 69 -4.004 3.243 -2.458 1.00 0.24 H new ATOM 0 HD11 LEU B 69 -6.051 3.529 -1.110 1.00 0.26 H new ATOM 0 HD12 LEU B 69 -6.396 3.531 -2.855 1.00 0.26 H new ATOM 0 HD13 LEU B 69 -6.749 2.084 -1.881 1.00 0.26 H new ATOM 0 HD21 LEU B 69 -4.187 2.255 -0.211 1.00 0.30 H new ATOM 0 HD22 LEU B 69 -4.796 0.747 -0.934 1.00 0.30 H new ATOM 0 HD23 LEU B 69 -3.139 1.294 -1.282 1.00 0.30 H new ATOM 1529 N ASP B 70 -3.661 -0.696 -5.672 1.00 0.30 N ATOM 1530 CA ASP B 70 -4.023 -1.543 -6.781 1.00 0.35 C ATOM 1531 C ASP B 70 -3.735 -2.983 -6.409 1.00 0.38 C ATOM 1532 O ASP B 70 -4.561 -3.858 -6.636 1.00 0.43 O ATOM 1533 CB ASP B 70 -3.276 -1.150 -8.051 1.00 0.43 C ATOM 1534 CG ASP B 70 -3.664 -2.009 -9.234 1.00 0.91 C ATOM 1535 OD1 ASP B 70 -2.996 -3.033 -9.478 1.00 1.62 O ATOM 1536 OD2 ASP B 70 -4.649 -1.660 -9.923 1.00 1.56 O ATOM 0 H ASP B 70 -2.864 -0.082 -5.841 1.00 0.30 H new ATOM 0 HA ASP B 70 -5.086 -1.423 -6.989 1.00 0.35 H new ATOM 0 HB2 ASP B 70 -3.480 -0.104 -8.281 1.00 0.43 H new ATOM 0 HB3 ASP B 70 -2.203 -1.235 -7.880 1.00 0.43 H new ATOM 1541 N GLU B 71 -2.567 -3.231 -5.813 1.00 0.42 N ATOM 1542 CA GLU B 71 -2.257 -4.540 -5.260 1.00 0.50 C ATOM 1543 C GLU B 71 -3.176 -4.888 -4.090 1.00 0.46 C ATOM 1544 O GLU B 71 -3.904 -5.875 -4.142 1.00 0.49 O ATOM 1545 CB GLU B 71 -0.803 -4.578 -4.775 1.00 0.61 C ATOM 1546 CG GLU B 71 0.209 -3.975 -5.743 1.00 0.94 C ATOM 1547 CD GLU B 71 0.288 -4.701 -7.071 1.00 1.47 C ATOM 1548 OE1 GLU B 71 -0.244 -5.826 -7.181 1.00 2.14 O ATOM 1549 OE2 GLU B 71 0.898 -4.146 -8.011 1.00 2.18 O ATOM 0 H GLU B 71 -1.825 -2.540 -5.704 1.00 0.42 H new ATOM 0 HA GLU B 71 -2.408 -5.272 -6.053 1.00 0.50 H new ATOM 0 HB2 GLU B 71 -0.737 -4.047 -3.825 1.00 0.61 H new ATOM 0 HB3 GLU B 71 -0.526 -5.614 -4.581 1.00 0.61 H new ATOM 0 HG2 GLU B 71 -0.051 -2.932 -5.924 1.00 0.94 H new ATOM 0 HG3 GLU B 71 1.194 -3.982 -5.276 1.00 0.94 H new ATOM 1556 N GLU B 72 -3.160 -4.056 -3.043 1.00 0.43 N ATOM 1557 CA GLU B 72 -3.836 -4.389 -1.788 1.00 0.45 C ATOM 1558 C GLU B 72 -5.348 -4.490 -1.980 1.00 0.42 C ATOM 1559 O GLU B 72 -5.970 -5.447 -1.540 1.00 0.47 O ATOM 1560 CB GLU B 72 -3.519 -3.362 -0.705 1.00 0.46 C ATOM 1561 CG GLU B 72 -3.916 -3.813 0.693 1.00 0.57 C ATOM 1562 CD GLU B 72 -3.063 -4.958 1.221 1.00 0.91 C ATOM 1563 OE1 GLU B 72 -1.924 -5.144 0.738 1.00 1.69 O ATOM 1564 OE2 GLU B 72 -3.524 -5.666 2.140 1.00 1.33 O ATOM 0 H GLU B 72 -2.688 -3.152 -3.041 1.00 0.43 H new ATOM 0 HA GLU B 72 -3.462 -5.362 -1.469 1.00 0.45 H new ATOM 0 HB2 GLU B 72 -2.450 -3.148 -0.720 1.00 0.46 H new ATOM 0 HB3 GLU B 72 -4.034 -2.430 -0.937 1.00 0.46 H new ATOM 0 HG2 GLU B 72 -3.839 -2.967 1.376 1.00 0.57 H new ATOM 0 HG3 GLU B 72 -4.961 -4.122 0.685 1.00 0.57 H new ATOM 1571 N ILE B 73 -5.921 -3.526 -2.685 1.00 0.35 N ATOM 1572 CA ILE B 73 -7.365 -3.509 -2.916 1.00 0.35 C ATOM 1573 C ILE B 73 -7.768 -4.737 -3.707 1.00 0.40 C ATOM 1574 O ILE B 73 -8.788 -5.371 -3.432 1.00 0.45 O ATOM 1575 CB ILE B 73 -7.814 -2.233 -3.666 1.00 0.29 C ATOM 1576 CG1 ILE B 73 -7.850 -1.053 -2.703 1.00 0.27 C ATOM 1577 CG2 ILE B 73 -9.164 -2.418 -4.345 1.00 0.33 C ATOM 1578 CD1 ILE B 73 -8.240 0.252 -3.356 1.00 0.27 C ATOM 0 H ILE B 73 -5.415 -2.747 -3.107 1.00 0.35 H new ATOM 0 HA ILE B 73 -7.859 -3.512 -1.944 1.00 0.35 H new ATOM 0 HB ILE B 73 -7.087 -2.031 -4.453 1.00 0.29 H new ATOM 0 HG12 ILE B 73 -8.554 -1.272 -1.900 1.00 0.27 H new ATOM 0 HG13 ILE B 73 -6.868 -0.940 -2.244 1.00 0.27 H new ATOM 0 HG21 ILE B 73 -9.441 -1.498 -4.860 1.00 0.33 H new ATOM 0 HG22 ILE B 73 -9.100 -3.233 -5.066 1.00 0.33 H new ATOM 0 HG23 ILE B 73 -9.919 -2.656 -3.595 1.00 0.33 H new ATOM 0 HD11 ILE B 73 -8.244 1.046 -2.609 1.00 0.27 H new ATOM 0 HD12 ILE B 73 -7.523 0.495 -4.140 1.00 0.27 H new ATOM 0 HD13 ILE B 73 -9.235 0.158 -3.791 1.00 0.27 H new ATOM 1590 N SER B 74 -6.945 -5.087 -4.676 1.00 0.41 N ATOM 1591 CA SER B 74 -7.212 -6.273 -5.482 1.00 0.49 C ATOM 1592 C SER B 74 -7.053 -7.566 -4.674 1.00 0.54 C ATOM 1593 O SER B 74 -7.910 -8.448 -4.741 1.00 0.60 O ATOM 1594 CB SER B 74 -6.322 -6.296 -6.719 1.00 0.52 C ATOM 1595 OG SER B 74 -6.590 -5.175 -7.543 1.00 1.34 O ATOM 0 H SER B 74 -6.097 -4.579 -4.926 1.00 0.41 H new ATOM 0 HA SER B 74 -8.252 -6.219 -5.802 1.00 0.49 H new ATOM 0 HB2 SER B 74 -5.274 -6.293 -6.420 1.00 0.52 H new ATOM 0 HB3 SER B 74 -6.491 -7.216 -7.279 1.00 0.52 H new ATOM 0 HG SER B 74 -5.805 -4.589 -7.564 1.00 1.34 H new ATOM 1601 N ARG B 75 -5.985 -7.666 -3.888 1.00 0.56 N ATOM 1602 CA ARG B 75 -5.711 -8.891 -3.137 1.00 0.63 C ATOM 1603 C ARG B 75 -6.728 -9.077 -2.013 1.00 0.65 C ATOM 1604 O ARG B 75 -7.212 -10.183 -1.798 1.00 0.72 O ATOM 1605 CB ARG B 75 -4.277 -8.915 -2.581 1.00 0.74 C ATOM 1606 CG ARG B 75 -3.957 -7.759 -1.652 1.00 0.76 C ATOM 1607 CD ARG B 75 -2.549 -7.846 -1.077 1.00 1.26 C ATOM 1608 NE ARG B 75 -1.516 -7.829 -2.115 1.00 1.84 N ATOM 1609 CZ ARG B 75 -0.426 -7.051 -2.081 1.00 2.74 C ATOM 1610 NH1 ARG B 75 -0.281 -6.123 -1.140 1.00 3.06 N ATOM 1611 NH2 ARG B 75 0.505 -7.175 -3.021 1.00 3.67 N ATOM 0 H ARG B 75 -5.300 -6.922 -3.754 1.00 0.56 H new ATOM 0 HA ARG B 75 -5.805 -9.725 -3.833 1.00 0.63 H new ATOM 0 HB2 ARG B 75 -4.121 -9.852 -2.046 1.00 0.74 H new ATOM 0 HB3 ARG B 75 -3.575 -8.903 -3.414 1.00 0.74 H new ATOM 0 HG2 ARG B 75 -4.067 -6.820 -2.194 1.00 0.76 H new ATOM 0 HG3 ARG B 75 -4.679 -7.742 -0.836 1.00 0.76 H new ATOM 0 HD2 ARG B 75 -2.387 -7.012 -0.394 1.00 1.26 H new ATOM 0 HD3 ARG B 75 -2.455 -8.760 -0.491 1.00 1.26 H new ATOM 0 HE ARG B 75 -1.634 -8.450 -2.916 1.00 1.84 H new ATOM 0 HH11 ARG B 75 -1.005 -5.997 -0.432 1.00 3.06 H new ATOM 0 HH12 ARG B 75 0.554 -5.537 -1.126 1.00 3.06 H new ATOM 0 HH21 ARG B 75 0.389 -7.861 -3.766 1.00 3.67 H new ATOM 0 HH22 ARG B 75 1.336 -6.584 -2.997 1.00 3.67 H new ATOM 1625 N VAL B 76 -7.065 -7.988 -1.323 1.00 0.62 N ATOM 1626 CA VAL B 76 -8.053 -8.018 -0.241 1.00 0.67 C ATOM 1627 C VAL B 76 -9.394 -8.572 -0.728 1.00 0.71 C ATOM 1628 O VAL B 76 -10.108 -9.237 0.019 1.00 0.84 O ATOM 1629 CB VAL B 76 -8.267 -6.605 0.367 1.00 0.61 C ATOM 1630 CG1 VAL B 76 -9.455 -6.579 1.316 1.00 0.64 C ATOM 1631 CG2 VAL B 76 -7.021 -6.137 1.100 1.00 0.59 C ATOM 0 H VAL B 76 -6.665 -7.066 -1.495 1.00 0.62 H new ATOM 0 HA VAL B 76 -7.658 -8.678 0.531 1.00 0.67 H new ATOM 0 HB VAL B 76 -8.472 -5.927 -0.462 1.00 0.61 H new ATOM 0 HG11 VAL B 76 -9.574 -5.575 1.722 1.00 0.64 H new ATOM 0 HG12 VAL B 76 -10.359 -6.862 0.776 1.00 0.64 H new ATOM 0 HG13 VAL B 76 -9.285 -7.282 2.131 1.00 0.64 H new ATOM 0 HG21 VAL B 76 -7.195 -5.145 1.517 1.00 0.59 H new ATOM 0 HG22 VAL B 76 -6.789 -6.834 1.906 1.00 0.59 H new ATOM 0 HG23 VAL B 76 -6.183 -6.096 0.404 1.00 0.59 H new ATOM 1641 N ARG B 77 -9.709 -8.336 -1.996 1.00 0.66 N ATOM 1642 CA ARG B 77 -10.998 -8.738 -2.548 1.00 0.73 C ATOM 1643 C ARG B 77 -11.107 -10.258 -2.676 1.00 0.87 C ATOM 1644 O ARG B 77 -12.197 -10.816 -2.542 1.00 0.98 O ATOM 1645 CB ARG B 77 -11.253 -8.049 -3.890 1.00 0.75 C ATOM 1646 CG ARG B 77 -11.679 -6.597 -3.735 1.00 0.80 C ATOM 1647 CD ARG B 77 -11.956 -5.927 -5.072 1.00 0.84 C ATOM 1648 NE ARG B 77 -10.725 -5.565 -5.775 1.00 1.38 N ATOM 1649 CZ ARG B 77 -10.700 -4.989 -6.977 1.00 1.70 C ATOM 1650 NH1 ARG B 77 -11.835 -4.717 -7.610 1.00 1.45 N ATOM 1651 NH2 ARG B 77 -9.541 -4.678 -7.547 1.00 2.73 N ATOM 0 H ARG B 77 -9.091 -7.869 -2.660 1.00 0.66 H new ATOM 0 HA ARG B 77 -11.771 -8.417 -1.850 1.00 0.73 H new ATOM 0 HB2 ARG B 77 -10.347 -8.095 -4.495 1.00 0.75 H new ATOM 0 HB3 ARG B 77 -12.026 -8.594 -4.432 1.00 0.75 H new ATOM 0 HG2 ARG B 77 -12.574 -6.548 -3.115 1.00 0.80 H new ATOM 0 HG3 ARG B 77 -10.898 -6.046 -3.211 1.00 0.80 H new ATOM 0 HD2 ARG B 77 -12.545 -6.598 -5.697 1.00 0.84 H new ATOM 0 HD3 ARG B 77 -12.557 -5.032 -4.910 1.00 0.84 H new ATOM 0 HE ARG B 77 -9.835 -5.765 -5.319 1.00 1.38 H new ATOM 0 HH11 ARG B 77 -12.729 -4.949 -7.177 1.00 1.45 H new ATOM 0 HH12 ARG B 77 -11.813 -4.276 -8.530 1.00 1.45 H new ATOM 0 HH21 ARG B 77 -8.665 -4.880 -7.065 1.00 2.73 H new ATOM 0 HH22 ARG B 77 -9.527 -4.237 -8.467 1.00 2.73 H new ATOM 1665 N LYS B 78 -9.988 -10.930 -2.928 1.00 0.90 N ATOM 1666 CA LYS B 78 -9.971 -12.390 -2.938 1.00 1.08 C ATOM 1667 C LYS B 78 -9.696 -12.923 -1.545 1.00 1.12 C ATOM 1668 O LYS B 78 -10.371 -13.831 -1.063 1.00 1.32 O ATOM 1669 CB LYS B 78 -8.894 -12.928 -3.878 1.00 1.13 C ATOM 1670 CG LYS B 78 -9.109 -12.595 -5.336 1.00 1.35 C ATOM 1671 CD LYS B 78 -8.408 -11.307 -5.696 1.00 2.01 C ATOM 1672 CE LYS B 78 -8.739 -10.884 -7.117 1.00 2.67 C ATOM 1673 NZ LYS B 78 -8.075 -9.610 -7.492 1.00 3.44 N ATOM 0 H LYS B 78 -9.088 -10.492 -3.126 1.00 0.90 H new ATOM 0 HA LYS B 78 -10.950 -12.721 -3.285 1.00 1.08 H new ATOM 0 HB2 LYS B 78 -7.928 -12.531 -3.567 1.00 1.13 H new ATOM 0 HB3 LYS B 78 -8.844 -14.011 -3.770 1.00 1.13 H new ATOM 0 HG2 LYS B 78 -8.733 -13.406 -5.959 1.00 1.35 H new ATOM 0 HG3 LYS B 78 -10.176 -12.504 -5.540 1.00 1.35 H new ATOM 0 HD2 LYS B 78 -8.704 -10.521 -5.001 1.00 2.01 H new ATOM 0 HD3 LYS B 78 -7.330 -11.434 -5.593 1.00 2.01 H new ATOM 0 HE2 LYS B 78 -8.432 -11.669 -7.809 1.00 2.67 H new ATOM 0 HE3 LYS B 78 -9.819 -10.773 -7.219 1.00 2.67 H new ATOM 0 HZ1 LYS B 78 -8.662 -9.103 -8.185 1.00 3.44 H new ATOM 0 HZ2 LYS B 78 -7.953 -9.020 -6.645 1.00 3.44 H new ATOM 0 HZ3 LYS B 78 -7.144 -9.813 -7.910 1.00 3.44 H new