USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 576 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 14 ASN : amide:sc= -2.23 K(o=-2.2,f=-13!) USER MOD Set 1.2: A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -2.17 K(o=-2.2,f=-4.5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 30:sc= 0.16 USER MOD Single : A 22 TYR OH : rot 30:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.0107 K(o=-0.011,f=-1.6!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -1.52! X(o=-1.5!,f=-1.9) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.111 K(o=-0.11,f=-2.8!) USER MOD Single : A 41 GLN : amide:sc= -2.65! C(o=-2.6!,f=-10!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 156:sc= -0.032 (180deg=-0.326) USER MOD Single : A 47 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.18) USER MOD Single : A 48 GLN : amide:sc= -6.19! C(o=-6.2!,f=-12!) USER MOD Single : A 49 GLN : amide:sc= -1.17 K(o=-1.2,f=-2.3!) USER MOD Single : A 53 GLN : amide:sc= -0.0754 K(o=-0.075,f=-1.6!) USER MOD Single : A 55 GLN : amide:sc= -0.64 K(o=-0.64,f=-2) USER MOD Single : A 58 GLN : amide:sc= -2.35 K(o=-2.3,f=-5!) USER MOD Single : A 66 TYR OH : rot 30:sc= -0.585 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 93:sc= 0.453 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 6:sc= 0.0722 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 157:sc= 0.112 (180deg=0.0191) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -8.386 -3.564 -4.908 1.00 0.00 N ATOM 60 CA GLY A 7 -7.534 -3.106 -3.826 1.00 0.00 C ATOM 61 C GLY A 7 -8.259 -2.178 -2.871 1.00 0.00 C ATOM 62 O GLY A 7 -9.458 -1.940 -3.017 1.00 0.00 O ATOM 0 HA2 GLY A 7 -7.157 -3.967 -3.275 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.669 -2.590 -4.242 1.00 0.00 H new ATOM 66 N ILE A 8 -7.530 -1.655 -1.891 1.00 0.00 N ATOM 67 CA ILE A 8 -8.112 -0.749 -0.908 1.00 0.00 C ATOM 68 C ILE A 8 -7.609 0.677 -1.110 1.00 0.00 C ATOM 69 O ILE A 8 -6.473 0.890 -1.530 1.00 0.00 O ATOM 70 CB ILE A 8 -7.790 -1.196 0.530 1.00 0.00 C ATOM 71 CG1 ILE A 8 -6.282 -1.127 0.783 1.00 0.00 C ATOM 72 CG2 ILE A 8 -8.309 -2.605 0.775 1.00 0.00 C ATOM 73 CD1 ILE A 8 -5.915 -1.139 2.251 1.00 0.00 C ATOM 0 H ILE A 8 -6.536 -1.843 -1.756 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.192 -0.776 -1.054 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.288 -0.520 1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.800 -1.971 0.289 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.886 -0.221 0.325 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.074 -2.907 1.796 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.389 -2.625 0.630 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.836 -3.294 0.075 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.831 -1.088 2.356 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.368 -0.280 2.746 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.281 -2.057 2.710 1.00 0.00 H new ATOM 85 N GLN A 9 -8.464 1.648 -0.805 1.00 0.00 N ATOM 86 CA GLN A 9 -8.105 3.054 -0.952 1.00 0.00 C ATOM 87 C GLN A 9 -7.581 3.622 0.363 1.00 0.00 C ATOM 88 O GLN A 9 -8.117 3.334 1.433 1.00 0.00 O ATOM 89 CB GLN A 9 -9.314 3.863 -1.425 1.00 0.00 C ATOM 90 CG GLN A 9 -8.941 5.164 -2.117 1.00 0.00 C ATOM 91 CD GLN A 9 -8.714 4.989 -3.606 1.00 0.00 C ATOM 92 OE1 GLN A 9 -7.629 5.269 -4.117 1.00 0.00 O ATOM 93 NE2 GLN A 9 -9.738 4.523 -4.311 1.00 0.00 N ATOM 0 H GLN A 9 -9.409 1.487 -0.455 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.314 3.126 -1.698 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.904 3.253 -2.109 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.950 4.086 -0.568 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.733 5.896 -1.958 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.037 5.568 -1.661 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.619 4.304 -3.847 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -9.643 4.384 -5.317 1.00 0.00 H new ATOM 102 N VAL A 10 -6.530 4.430 0.275 1.00 0.00 N ATOM 103 CA VAL A 10 -5.933 5.040 1.458 1.00 0.00 C ATOM 104 C VAL A 10 -5.731 6.538 1.261 1.00 0.00 C ATOM 105 O VAL A 10 -5.371 6.990 0.174 1.00 0.00 O ATOM 106 CB VAL A 10 -4.579 4.391 1.801 1.00 0.00 C ATOM 107 CG1 VAL A 10 -4.762 2.920 2.143 1.00 0.00 C ATOM 108 CG2 VAL A 10 -3.600 4.561 0.649 1.00 0.00 C ATOM 0 H VAL A 10 -6.074 4.678 -0.603 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.626 4.875 2.283 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.167 4.894 2.676 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.794 2.479 2.382 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.426 2.826 3.002 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.197 2.399 1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.649 4.097 0.908 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.004 4.086 -0.245 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.445 5.623 0.457 1.00 0.00 H new ATOM 118 N PHE A 11 -5.965 7.305 2.321 1.00 0.00 N ATOM 119 CA PHE A 11 -5.809 8.754 2.265 1.00 0.00 C ATOM 120 C PHE A 11 -4.481 9.182 2.882 1.00 0.00 C ATOM 121 O PHE A 11 -4.252 9.003 4.078 1.00 0.00 O ATOM 122 CB PHE A 11 -6.967 9.441 2.993 1.00 0.00 C ATOM 123 CG PHE A 11 -8.278 9.333 2.269 1.00 0.00 C ATOM 124 CD1 PHE A 11 -8.519 10.083 1.129 1.00 0.00 C ATOM 125 CD2 PHE A 11 -9.270 8.481 2.728 1.00 0.00 C ATOM 126 CE1 PHE A 11 -9.725 9.985 0.460 1.00 0.00 C ATOM 127 CE2 PHE A 11 -10.477 8.379 2.063 1.00 0.00 C ATOM 128 CZ PHE A 11 -10.706 9.133 0.929 1.00 0.00 C ATOM 0 H PHE A 11 -6.263 6.948 3.229 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.817 9.055 1.217 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -7.072 9.004 3.986 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.724 10.494 3.133 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.756 10.752 0.759 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -9.098 7.890 3.615 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -9.900 10.574 -0.428 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -11.241 7.710 2.430 1.00 0.00 H new ATOM 0 HZ PHE A 11 -11.650 9.057 0.410 1.00 0.00 H new ATOM 138 N VAL A 12 -3.607 9.749 2.055 1.00 0.00 N ATOM 139 CA VAL A 12 -2.301 10.204 2.518 1.00 0.00 C ATOM 140 C VAL A 12 -2.304 11.705 2.780 1.00 0.00 C ATOM 141 O VAL A 12 -2.302 12.510 1.849 1.00 0.00 O ATOM 142 CB VAL A 12 -1.198 9.874 1.495 1.00 0.00 C ATOM 143 CG1 VAL A 12 0.142 10.424 1.960 1.00 0.00 C ATOM 144 CG2 VAL A 12 -1.116 8.373 1.265 1.00 0.00 C ATOM 0 H VAL A 12 -3.780 9.904 1.062 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.093 9.677 3.449 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.451 10.350 0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.910 10.182 1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.073 11.506 2.069 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.405 9.979 2.920 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.331 8.158 0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.887 7.873 2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.071 8.010 0.885 1.00 0.00 H new ATOM 154 N LYS A 13 -2.307 12.077 4.056 1.00 0.00 N ATOM 155 CA LYS A 13 -2.307 13.483 4.444 1.00 0.00 C ATOM 156 C LYS A 13 -0.887 14.036 4.487 1.00 0.00 C ATOM 157 O LYS A 13 -0.046 13.556 5.246 1.00 0.00 O ATOM 158 CB LYS A 13 -2.975 13.656 5.810 1.00 0.00 C ATOM 159 CG LYS A 13 -2.958 15.087 6.318 1.00 0.00 C ATOM 160 CD LYS A 13 -3.462 15.177 7.749 1.00 0.00 C ATOM 161 CE LYS A 13 -3.777 16.613 8.140 1.00 0.00 C ATOM 162 NZ LYS A 13 -2.590 17.306 8.712 1.00 0.00 N ATOM 0 H LYS A 13 -2.309 11.424 4.839 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.872 14.040 3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.008 13.314 5.746 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.472 13.016 6.535 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.943 15.481 6.263 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.578 15.710 5.673 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.356 14.564 7.860 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.711 14.771 8.427 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.129 17.159 7.265 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.588 16.621 8.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.846 18.282 8.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.269 16.800 9.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.824 17.321 8.008 1.00 0.00 H new ATOM 176 N ASN A 14 -0.626 15.050 3.667 1.00 0.00 N ATOM 177 CA ASN A 14 0.693 15.669 3.613 1.00 0.00 C ATOM 178 C ASN A 14 0.848 16.718 4.710 1.00 0.00 C ATOM 179 O ASN A 14 -0.117 17.353 5.137 1.00 0.00 O ATOM 180 CB ASN A 14 0.922 16.311 2.243 1.00 0.00 C ATOM 181 CG ASN A 14 -0.006 17.483 1.991 1.00 0.00 C ATOM 182 OD1 ASN A 14 -0.756 17.896 2.876 1.00 0.00 O ATOM 183 ND2 ASN A 14 0.040 18.024 0.779 1.00 0.00 N ATOM 0 H ASN A 14 -1.311 15.460 3.031 1.00 0.00 H new ATOM 0 HA ASN A 14 1.439 14.890 3.772 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.956 16.648 2.171 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.776 15.562 1.465 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.562 18.815 0.550 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.677 17.649 0.077 1.00 0.00 H new ATOM 190 N PRO A 15 2.090 16.905 5.179 1.00 0.00 N ATOM 191 CA PRO A 15 2.401 17.876 6.232 1.00 0.00 C ATOM 192 C PRO A 15 2.260 19.317 5.752 1.00 0.00 C ATOM 193 O PRO A 15 2.423 20.259 6.528 1.00 0.00 O ATOM 194 CB PRO A 15 3.860 17.569 6.579 1.00 0.00 C ATOM 195 CG PRO A 15 4.420 16.947 5.346 1.00 0.00 C ATOM 196 CD PRO A 15 3.288 16.183 4.717 1.00 0.00 C ATOM 0 HA PRO A 15 1.720 17.790 7.079 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.403 18.476 6.846 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.930 16.892 7.431 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.804 17.707 4.665 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.252 16.285 5.586 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.361 16.180 3.629 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.278 15.142 5.039 1.00 0.00 H new ATOM 204 N ASP A 16 1.956 19.480 4.469 1.00 0.00 N ATOM 205 CA ASP A 16 1.792 20.807 3.885 1.00 0.00 C ATOM 206 C ASP A 16 0.371 21.321 4.097 1.00 0.00 C ATOM 207 O ASP A 16 0.165 22.488 4.428 1.00 0.00 O ATOM 208 CB ASP A 16 2.118 20.774 2.392 1.00 0.00 C ATOM 209 CG ASP A 16 3.609 20.702 2.126 1.00 0.00 C ATOM 210 OD1 ASP A 16 4.202 19.629 2.360 1.00 0.00 O ATOM 211 OD2 ASP A 16 4.182 21.719 1.683 1.00 0.00 O ATOM 0 H ASP A 16 1.818 18.711 3.814 1.00 0.00 H new ATOM 0 HA ASP A 16 2.483 21.485 4.385 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.629 19.914 1.935 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.709 21.664 1.914 1.00 0.00 H new ATOM 216 N GLY A 17 -0.607 20.441 3.903 1.00 0.00 N ATOM 217 CA GLY A 17 -1.996 20.825 4.076 1.00 0.00 C ATOM 218 C GLY A 17 -2.895 20.248 3.001 1.00 0.00 C ATOM 219 O GLY A 17 -3.367 20.970 2.124 1.00 0.00 O ATOM 0 H GLY A 17 -0.462 19.469 3.629 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.343 20.491 5.054 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.073 21.912 4.065 1.00 0.00 H new ATOM 223 N GLY A 18 -3.132 18.941 3.068 1.00 0.00 N ATOM 224 CA GLY A 18 -3.978 18.290 2.085 1.00 0.00 C ATOM 225 C GLY A 18 -4.023 16.785 2.266 1.00 0.00 C ATOM 226 O GLY A 18 -3.438 16.248 3.206 1.00 0.00 O ATOM 0 H GLY A 18 -2.753 18.322 3.785 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.989 18.692 2.156 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.613 18.522 1.085 1.00 0.00 H new ATOM 230 N SER A 19 -4.721 16.104 1.363 1.00 0.00 N ATOM 231 CA SER A 19 -4.845 14.652 1.429 1.00 0.00 C ATOM 232 C SER A 19 -5.408 14.095 0.126 1.00 0.00 C ATOM 233 O SER A 19 -6.452 14.538 -0.352 1.00 0.00 O ATOM 234 CB SER A 19 -5.744 14.249 2.600 1.00 0.00 C ATOM 235 OG SER A 19 -6.996 14.908 2.531 1.00 0.00 O ATOM 0 H SER A 19 -5.209 16.534 0.577 1.00 0.00 H new ATOM 0 HA SER A 19 -3.850 14.234 1.583 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.896 13.170 2.591 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.252 14.494 3.541 1.00 0.00 H new ATOM 0 HG SER A 19 -7.225 15.077 1.593 1.00 0.00 H new ATOM 241 N TYR A 20 -4.707 13.120 -0.444 1.00 0.00 N ATOM 242 CA TYR A 20 -5.135 12.503 -1.694 1.00 0.00 C ATOM 243 C TYR A 20 -5.505 11.038 -1.480 1.00 0.00 C ATOM 244 O TYR A 20 -5.091 10.419 -0.501 1.00 0.00 O ATOM 245 CB TYR A 20 -4.029 12.612 -2.746 1.00 0.00 C ATOM 246 CG TYR A 20 -3.206 13.875 -2.630 1.00 0.00 C ATOM 247 CD1 TYR A 20 -3.808 15.127 -2.681 1.00 0.00 C ATOM 248 CD2 TYR A 20 -1.827 13.818 -2.469 1.00 0.00 C ATOM 249 CE1 TYR A 20 -3.060 16.284 -2.576 1.00 0.00 C ATOM 250 CE2 TYR A 20 -1.072 14.969 -2.363 1.00 0.00 C ATOM 251 CZ TYR A 20 -1.693 16.200 -2.417 1.00 0.00 C ATOM 252 OH TYR A 20 -0.944 17.350 -2.311 1.00 0.00 O ATOM 0 H TYR A 20 -3.841 12.741 -0.061 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.018 13.035 -2.048 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.369 11.749 -2.658 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.478 12.570 -3.739 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.879 15.197 -2.805 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.337 12.856 -2.426 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.543 17.249 -2.618 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.001 14.906 -2.238 1.00 0.00 H new ATOM 0 HH TYR A 20 0.001 17.116 -2.203 1.00 0.00 H new ATOM 262 N ALA A 21 -6.288 10.491 -2.404 1.00 0.00 N ATOM 263 CA ALA A 21 -6.713 9.100 -2.319 1.00 0.00 C ATOM 264 C ALA A 21 -5.855 8.208 -3.210 1.00 0.00 C ATOM 265 O ALA A 21 -5.797 8.400 -4.425 1.00 0.00 O ATOM 266 CB ALA A 21 -8.181 8.972 -2.698 1.00 0.00 C ATOM 0 H ALA A 21 -6.641 10.991 -3.220 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.585 8.770 -1.288 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.485 7.927 -2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.786 9.571 -2.017 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.325 9.326 -3.719 1.00 0.00 H new ATOM 272 N TYR A 22 -5.189 7.234 -2.600 1.00 0.00 N ATOM 273 CA TYR A 22 -4.331 6.315 -3.338 1.00 0.00 C ATOM 274 C TYR A 22 -4.973 4.935 -3.442 1.00 0.00 C ATOM 275 O TYR A 22 -5.810 4.565 -2.620 1.00 0.00 O ATOM 276 CB TYR A 22 -2.964 6.205 -2.661 1.00 0.00 C ATOM 277 CG TYR A 22 -2.081 7.413 -2.880 1.00 0.00 C ATOM 278 CD1 TYR A 22 -2.364 8.626 -2.264 1.00 0.00 C ATOM 279 CD2 TYR A 22 -0.963 7.341 -3.701 1.00 0.00 C ATOM 280 CE1 TYR A 22 -1.560 9.732 -2.461 1.00 0.00 C ATOM 281 CE2 TYR A 22 -0.153 8.442 -3.903 1.00 0.00 C ATOM 282 CZ TYR A 22 -0.456 9.635 -3.282 1.00 0.00 C ATOM 283 OH TYR A 22 0.348 10.734 -3.480 1.00 0.00 O ATOM 0 H TYR A 22 -5.227 7.060 -1.596 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.199 6.711 -4.345 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.109 6.060 -1.590 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.452 5.319 -3.036 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.227 8.705 -1.620 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.723 6.408 -4.190 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.795 10.667 -1.975 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.713 8.368 -4.544 1.00 0.00 H new ATOM 0 HH TYR A 22 0.327 11.303 -2.682 1.00 0.00 H new ATOM 293 N ALA A 23 -4.572 4.178 -4.458 1.00 0.00 N ATOM 294 CA ALA A 23 -5.105 2.838 -4.669 1.00 0.00 C ATOM 295 C ALA A 23 -3.997 1.792 -4.612 1.00 0.00 C ATOM 296 O ALA A 23 -3.129 1.746 -5.485 1.00 0.00 O ATOM 297 CB ALA A 23 -5.836 2.764 -6.001 1.00 0.00 C ATOM 0 H ALA A 23 -3.880 4.470 -5.148 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.812 2.624 -3.867 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.229 1.757 -6.145 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.659 3.479 -6.005 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.145 3.003 -6.809 1.00 0.00 H new ATOM 303 N ILE A 24 -4.032 0.954 -3.582 1.00 0.00 N ATOM 304 CA ILE A 24 -3.031 -0.092 -3.413 1.00 0.00 C ATOM 305 C ILE A 24 -3.640 -1.340 -2.784 1.00 0.00 C ATOM 306 O ILE A 24 -4.256 -1.275 -1.722 1.00 0.00 O ATOM 307 CB ILE A 24 -1.857 0.389 -2.539 1.00 0.00 C ATOM 308 CG1 ILE A 24 -0.810 -0.718 -2.400 1.00 0.00 C ATOM 309 CG2 ILE A 24 -2.359 0.826 -1.171 1.00 0.00 C ATOM 310 CD1 ILE A 24 0.519 -0.230 -1.868 1.00 0.00 C ATOM 0 H ILE A 24 -4.743 0.979 -2.851 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.658 -0.335 -4.408 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.390 1.247 -3.023 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.196 -1.491 -1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.654 -1.183 -3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.518 1.163 -0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.072 1.642 -1.289 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.848 -0.014 -0.677 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.212 -1.068 -1.796 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.928 0.521 -2.544 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.377 0.209 -0.881 1.00 0.00 H new ATOM 322 N ASN A 25 -3.462 -2.478 -3.449 1.00 0.00 N ATOM 323 CA ASN A 25 -3.993 -3.743 -2.954 1.00 0.00 C ATOM 324 C ASN A 25 -3.594 -3.969 -1.499 1.00 0.00 C ATOM 325 O ASN A 25 -2.562 -3.488 -1.030 1.00 0.00 O ATOM 326 CB ASN A 25 -3.493 -4.902 -3.818 1.00 0.00 C ATOM 327 CG ASN A 25 -4.186 -4.960 -5.166 1.00 0.00 C ATOM 328 OD1 ASN A 25 -5.328 -5.407 -5.271 1.00 0.00 O ATOM 329 ND2 ASN A 25 -3.495 -4.506 -6.206 1.00 0.00 N ATOM 0 H ASN A 25 -2.955 -2.550 -4.331 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.081 -3.699 -3.011 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.418 -4.801 -3.969 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.654 -5.841 -3.289 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.909 -4.519 -7.138 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.551 -4.144 -6.072 1.00 0.00 H new ATOM 336 N PRO A 26 -4.429 -4.720 -0.766 1.00 0.00 N ATOM 337 CA PRO A 26 -4.184 -5.029 0.646 1.00 0.00 C ATOM 338 C PRO A 26 -3.007 -5.979 0.835 1.00 0.00 C ATOM 339 O PRO A 26 -2.392 -6.014 1.900 1.00 0.00 O ATOM 340 CB PRO A 26 -5.487 -5.695 1.094 1.00 0.00 C ATOM 341 CG PRO A 26 -6.070 -6.265 -0.153 1.00 0.00 C ATOM 342 CD PRO A 26 -5.677 -5.326 -1.260 1.00 0.00 C ATOM 0 HA PRO A 26 -3.925 -4.139 1.220 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -5.300 -6.472 1.835 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -6.163 -4.973 1.553 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -5.688 -7.269 -0.339 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -7.154 -6.345 -0.076 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.522 -5.855 -2.200 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.445 -4.574 -1.441 1.00 0.00 H new ATOM 350 N ASN A 27 -2.699 -6.747 -0.204 1.00 0.00 N ATOM 351 CA ASN A 27 -1.595 -7.698 -0.151 1.00 0.00 C ATOM 352 C ASN A 27 -0.260 -6.995 -0.375 1.00 0.00 C ATOM 353 O ASN A 27 0.741 -7.324 0.262 1.00 0.00 O ATOM 354 CB ASN A 27 -1.788 -8.795 -1.200 1.00 0.00 C ATOM 355 CG ASN A 27 -2.871 -9.783 -0.812 1.00 0.00 C ATOM 356 OD1 ASN A 27 -3.290 -9.839 0.345 1.00 0.00 O ATOM 357 ND2 ASN A 27 -3.331 -10.568 -1.779 1.00 0.00 N ATOM 0 H ASN A 27 -3.198 -6.730 -1.093 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.586 -8.150 0.841 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.043 -8.338 -2.156 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.848 -9.328 -1.341 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.061 -11.252 -1.577 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.955 -10.487 -2.724 1.00 0.00 H new ATOM 364 N SER A 28 -0.253 -6.024 -1.283 1.00 0.00 N ATOM 365 CA SER A 28 0.959 -5.276 -1.593 1.00 0.00 C ATOM 366 C SER A 28 1.672 -4.842 -0.315 1.00 0.00 C ATOM 367 O SER A 28 1.042 -4.642 0.723 1.00 0.00 O ATOM 368 CB SER A 28 0.623 -4.050 -2.444 1.00 0.00 C ATOM 369 OG SER A 28 0.597 -4.378 -3.823 1.00 0.00 O ATOM 0 H SER A 28 -1.074 -5.737 -1.817 1.00 0.00 H new ATOM 0 HA SER A 28 1.625 -5.929 -2.156 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.345 -3.649 -2.144 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.361 -3.267 -2.267 1.00 0.00 H new ATOM 0 HG SER A 28 0.378 -3.578 -4.345 1.00 0.00 H new ATOM 375 N PHE A 29 2.990 -4.699 -0.400 1.00 0.00 N ATOM 376 CA PHE A 29 3.790 -4.290 0.748 1.00 0.00 C ATOM 377 C PHE A 29 3.751 -2.775 0.927 1.00 0.00 C ATOM 378 O PHE A 29 3.753 -2.024 -0.049 1.00 0.00 O ATOM 379 CB PHE A 29 5.237 -4.757 0.581 1.00 0.00 C ATOM 380 CG PHE A 29 5.358 -6.170 0.084 1.00 0.00 C ATOM 381 CD1 PHE A 29 4.924 -7.231 0.862 1.00 0.00 C ATOM 382 CD2 PHE A 29 5.904 -6.436 -1.161 1.00 0.00 C ATOM 383 CE1 PHE A 29 5.034 -8.531 0.408 1.00 0.00 C ATOM 384 CE2 PHE A 29 6.016 -7.735 -1.621 1.00 0.00 C ATOM 385 CZ PHE A 29 5.580 -8.784 -0.836 1.00 0.00 C ATOM 0 H PHE A 29 3.527 -4.860 -1.252 1.00 0.00 H new ATOM 0 HA PHE A 29 3.366 -4.755 1.638 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.747 -4.091 -0.115 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.751 -4.672 1.539 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.495 -7.040 1.834 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.246 -5.619 -1.779 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.693 -9.349 1.025 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.444 -7.929 -2.593 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.665 -9.800 -1.193 1.00 0.00 H new ATOM 395 N ILE A 30 3.713 -2.334 2.180 1.00 0.00 N ATOM 396 CA ILE A 30 3.674 -0.909 2.487 1.00 0.00 C ATOM 397 C ILE A 30 4.592 -0.121 1.559 1.00 0.00 C ATOM 398 O ILE A 30 4.170 0.845 0.924 1.00 0.00 O ATOM 399 CB ILE A 30 4.080 -0.637 3.947 1.00 0.00 C ATOM 400 CG1 ILE A 30 3.067 -1.263 4.907 1.00 0.00 C ATOM 401 CG2 ILE A 30 4.196 0.860 4.194 1.00 0.00 C ATOM 402 CD1 ILE A 30 1.667 -0.711 4.753 1.00 0.00 C ATOM 0 H ILE A 30 3.708 -2.942 2.999 1.00 0.00 H new ATOM 0 HA ILE A 30 2.645 -0.582 2.338 1.00 0.00 H new ATOM 0 HB ILE A 30 5.053 -1.093 4.128 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.044 -2.341 4.746 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.402 -1.101 5.932 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.484 1.037 5.230 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.952 1.281 3.531 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.236 1.337 3.998 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.003 -1.200 5.465 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.676 0.362 4.944 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.312 -0.896 3.739 1.00 0.00 H new ATOM 414 N LEU A 31 5.850 -0.542 1.485 1.00 0.00 N ATOM 415 CA LEU A 31 6.830 0.124 0.634 1.00 0.00 C ATOM 416 C LEU A 31 6.210 0.523 -0.701 1.00 0.00 C ATOM 417 O LEU A 31 6.363 1.656 -1.155 1.00 0.00 O ATOM 418 CB LEU A 31 8.034 -0.791 0.397 1.00 0.00 C ATOM 419 CG LEU A 31 9.333 -0.097 -0.013 1.00 0.00 C ATOM 420 CD1 LEU A 31 9.789 0.866 1.072 1.00 0.00 C ATOM 421 CD2 LEU A 31 10.417 -1.125 -0.306 1.00 0.00 C ATOM 0 H LEU A 31 6.215 -1.341 2.004 1.00 0.00 H new ATOM 0 HA LEU A 31 7.163 1.028 1.144 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.220 -1.357 1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.771 -1.512 -0.377 1.00 0.00 H new ATOM 0 HG LEU A 31 9.146 0.474 -0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.715 1.351 0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.020 1.622 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.959 0.317 1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.335 -0.613 -0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.602 -1.723 0.586 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.092 -1.775 -1.118 1.00 0.00 H new ATOM 433 N GLY A 32 5.506 -0.417 -1.326 1.00 0.00 N ATOM 434 CA GLY A 32 4.871 -0.144 -2.601 1.00 0.00 C ATOM 435 C GLY A 32 4.071 1.144 -2.587 1.00 0.00 C ATOM 436 O GLY A 32 4.063 1.890 -3.567 1.00 0.00 O ATOM 0 H GLY A 32 5.365 -1.363 -0.971 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.633 -0.086 -3.378 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.213 -0.974 -2.861 1.00 0.00 H new ATOM 440 N LEU A 33 3.395 1.405 -1.474 1.00 0.00 N ATOM 441 CA LEU A 33 2.586 2.611 -1.335 1.00 0.00 C ATOM 442 C LEU A 33 3.456 3.862 -1.411 1.00 0.00 C ATOM 443 O LEU A 33 3.250 4.724 -2.266 1.00 0.00 O ATOM 444 CB LEU A 33 1.822 2.588 -0.011 1.00 0.00 C ATOM 445 CG LEU A 33 1.190 3.911 0.424 1.00 0.00 C ATOM 446 CD1 LEU A 33 0.038 4.280 -0.497 1.00 0.00 C ATOM 447 CD2 LEU A 33 0.716 3.827 1.867 1.00 0.00 C ATOM 0 H LEU A 33 3.391 0.798 -0.654 1.00 0.00 H new ATOM 0 HA LEU A 33 1.872 2.636 -2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.034 1.838 -0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.504 2.259 0.773 1.00 0.00 H new ATOM 0 HG LEU A 33 1.947 4.693 0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.399 5.224 -0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.407 4.383 -1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.720 3.498 -0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.269 4.777 2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.025 3.033 1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.564 3.610 2.516 1.00 0.00 H new ATOM 459 N LYS A 34 4.430 3.954 -0.513 1.00 0.00 N ATOM 460 CA LYS A 34 5.335 5.097 -0.479 1.00 0.00 C ATOM 461 C LYS A 34 5.744 5.510 -1.889 1.00 0.00 C ATOM 462 O LYS A 34 5.557 6.659 -2.287 1.00 0.00 O ATOM 463 CB LYS A 34 6.579 4.765 0.348 1.00 0.00 C ATOM 464 CG LYS A 34 6.444 5.117 1.819 1.00 0.00 C ATOM 465 CD LYS A 34 5.887 3.954 2.622 1.00 0.00 C ATOM 466 CE LYS A 34 6.947 2.895 2.879 1.00 0.00 C ATOM 467 NZ LYS A 34 7.826 3.256 4.026 1.00 0.00 N ATOM 0 H LYS A 34 4.613 3.250 0.202 1.00 0.00 H new ATOM 0 HA LYS A 34 4.809 5.931 -0.014 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.792 3.700 0.256 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.434 5.298 -0.067 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.418 5.401 2.217 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.790 5.982 1.928 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.499 4.320 3.573 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.049 3.509 2.086 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.464 1.939 3.079 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.554 2.764 1.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.535 2.509 4.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.307 4.156 3.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.250 3.356 4.886 1.00 0.00 H new ATOM 481 N GLN A 35 6.299 4.564 -2.640 1.00 0.00 N ATOM 482 CA GLN A 35 6.733 4.830 -4.006 1.00 0.00 C ATOM 483 C GLN A 35 5.735 5.728 -4.729 1.00 0.00 C ATOM 484 O GLN A 35 6.100 6.778 -5.257 1.00 0.00 O ATOM 485 CB GLN A 35 6.906 3.519 -4.774 1.00 0.00 C ATOM 486 CG GLN A 35 7.175 3.713 -6.257 1.00 0.00 C ATOM 487 CD GLN A 35 8.598 4.151 -6.540 1.00 0.00 C ATOM 488 OE1 GLN A 35 9.552 3.436 -6.235 1.00 0.00 O ATOM 489 NE2 GLN A 35 8.748 5.333 -7.126 1.00 0.00 N ATOM 0 H GLN A 35 6.459 3.607 -2.325 1.00 0.00 H new ATOM 0 HA GLN A 35 7.692 5.345 -3.961 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.730 2.956 -4.335 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.007 2.915 -4.652 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.975 2.780 -6.784 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.484 4.457 -6.653 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.929 5.893 -7.362 1.00 0.00 H new ATOM 0 HE22 GLN A 35 9.683 5.681 -7.341 1.00 0.00 H new ATOM 498 N GLN A 36 4.474 5.308 -4.748 1.00 0.00 N ATOM 499 CA GLN A 36 3.423 6.075 -5.407 1.00 0.00 C ATOM 500 C GLN A 36 3.472 7.540 -4.985 1.00 0.00 C ATOM 501 O GLN A 36 3.293 8.439 -5.807 1.00 0.00 O ATOM 502 CB GLN A 36 2.051 5.483 -5.083 1.00 0.00 C ATOM 503 CG GLN A 36 1.701 4.264 -5.920 1.00 0.00 C ATOM 504 CD GLN A 36 0.238 3.881 -5.810 1.00 0.00 C ATOM 505 OE1 GLN A 36 -0.607 4.395 -6.544 1.00 0.00 O ATOM 506 NE2 GLN A 36 -0.070 2.974 -4.891 1.00 0.00 N ATOM 0 H GLN A 36 4.155 4.441 -4.315 1.00 0.00 H new ATOM 0 HA GLN A 36 3.588 6.021 -6.483 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.023 5.209 -4.028 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.290 6.248 -5.234 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.943 4.463 -6.964 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.318 3.422 -5.605 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.662 2.574 -4.304 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.039 2.677 -4.772 1.00 0.00 H new ATOM 515 N ILE A 37 3.714 7.772 -3.699 1.00 0.00 N ATOM 516 CA ILE A 37 3.786 9.127 -3.168 1.00 0.00 C ATOM 517 C ILE A 37 5.038 9.845 -3.661 1.00 0.00 C ATOM 518 O ILE A 37 5.055 11.068 -3.788 1.00 0.00 O ATOM 519 CB ILE A 37 3.779 9.130 -1.628 1.00 0.00 C ATOM 520 CG1 ILE A 37 2.494 8.488 -1.101 1.00 0.00 C ATOM 521 CG2 ILE A 37 3.923 10.550 -1.101 1.00 0.00 C ATOM 522 CD1 ILE A 37 2.642 7.886 0.279 1.00 0.00 C ATOM 0 H ILE A 37 3.863 7.039 -3.006 1.00 0.00 H new ATOM 0 HA ILE A 37 2.902 9.654 -3.528 1.00 0.00 H new ATOM 0 HB ILE A 37 4.627 8.544 -1.274 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.705 9.239 -1.078 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.174 7.711 -1.795 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.916 10.536 -0.011 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.863 10.975 -1.453 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.093 11.158 -1.461 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.693 7.449 0.589 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.408 7.111 0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.932 8.663 0.986 1.00 0.00 H new ATOM 534 N GLU A 38 6.085 9.073 -3.939 1.00 0.00 N ATOM 535 CA GLU A 38 7.341 9.636 -4.420 1.00 0.00 C ATOM 536 C GLU A 38 7.198 10.143 -5.852 1.00 0.00 C ATOM 537 O GLU A 38 7.546 11.284 -6.155 1.00 0.00 O ATOM 538 CB GLU A 38 8.455 8.590 -4.346 1.00 0.00 C ATOM 539 CG GLU A 38 9.718 8.992 -5.089 1.00 0.00 C ATOM 540 CD GLU A 38 9.621 8.746 -6.582 1.00 0.00 C ATOM 541 OE1 GLU A 38 9.805 7.585 -7.004 1.00 0.00 O ATOM 542 OE2 GLU A 38 9.363 9.713 -7.328 1.00 0.00 O ATOM 0 H GLU A 38 6.088 8.058 -3.839 1.00 0.00 H new ATOM 0 HA GLU A 38 7.600 10.479 -3.780 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.701 8.407 -3.300 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.086 7.649 -4.756 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.919 10.048 -4.911 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.564 8.435 -4.687 1.00 0.00 H new ATOM 549 N ASP A 39 6.685 9.286 -6.728 1.00 0.00 N ATOM 550 CA ASP A 39 6.495 9.646 -8.128 1.00 0.00 C ATOM 551 C ASP A 39 5.331 10.620 -8.286 1.00 0.00 C ATOM 552 O ASP A 39 5.262 11.365 -9.263 1.00 0.00 O ATOM 553 CB ASP A 39 6.245 8.394 -8.970 1.00 0.00 C ATOM 554 CG ASP A 39 7.529 7.792 -9.507 1.00 0.00 C ATOM 555 OD1 ASP A 39 8.145 8.409 -10.400 1.00 0.00 O ATOM 556 OD2 ASP A 39 7.916 6.702 -9.034 1.00 0.00 O ATOM 0 H ASP A 39 6.393 8.337 -6.493 1.00 0.00 H new ATOM 0 HA ASP A 39 7.405 10.134 -8.478 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.724 7.651 -8.366 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.588 8.645 -9.803 1.00 0.00 H new ATOM 561 N GLN A 40 4.421 10.608 -7.318 1.00 0.00 N ATOM 562 CA GLN A 40 3.260 11.490 -7.351 1.00 0.00 C ATOM 563 C GLN A 40 3.629 12.894 -6.885 1.00 0.00 C ATOM 564 O GLN A 40 3.547 13.853 -7.652 1.00 0.00 O ATOM 565 CB GLN A 40 2.140 10.926 -6.473 1.00 0.00 C ATOM 566 CG GLN A 40 1.326 9.836 -7.150 1.00 0.00 C ATOM 567 CD GLN A 40 0.258 10.391 -8.071 1.00 0.00 C ATOM 568 OE1 GLN A 40 0.520 11.285 -8.876 1.00 0.00 O ATOM 569 NE2 GLN A 40 -0.955 9.864 -7.957 1.00 0.00 N ATOM 0 H GLN A 40 4.465 9.998 -6.502 1.00 0.00 H new ATOM 0 HA GLN A 40 2.910 11.550 -8.381 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.574 10.527 -5.556 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.474 11.738 -6.183 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.994 9.191 -7.722 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.856 9.213 -6.389 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.128 9.124 -7.276 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.714 10.199 -8.550 1.00 0.00 H new ATOM 578 N GLN A 41 4.035 13.007 -5.625 1.00 0.00 N ATOM 579 CA GLN A 41 4.415 14.295 -5.058 1.00 0.00 C ATOM 580 C GLN A 41 5.842 14.664 -5.452 1.00 0.00 C ATOM 581 O GLN A 41 6.117 15.799 -5.837 1.00 0.00 O ATOM 582 CB GLN A 41 4.287 14.263 -3.534 1.00 0.00 C ATOM 583 CG GLN A 41 2.891 13.910 -3.048 1.00 0.00 C ATOM 584 CD GLN A 41 2.741 14.055 -1.546 1.00 0.00 C ATOM 585 OE1 GLN A 41 3.021 13.125 -0.790 1.00 0.00 O ATOM 586 NE2 GLN A 41 2.298 15.227 -1.106 1.00 0.00 N ATOM 0 H GLN A 41 4.109 12.222 -4.977 1.00 0.00 H new ATOM 0 HA GLN A 41 3.740 15.052 -5.457 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.996 13.539 -3.133 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.566 15.238 -3.134 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.164 14.552 -3.545 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.659 12.884 -3.335 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.078 15.970 -1.769 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.178 15.384 -0.105 1.00 0.00 H new ATOM 595 N GLY A 42 6.747 13.695 -5.353 1.00 0.00 N ATOM 596 CA GLY A 42 8.135 13.937 -5.702 1.00 0.00 C ATOM 597 C GLY A 42 9.074 13.717 -4.533 1.00 0.00 C ATOM 598 O GLY A 42 10.288 13.612 -4.714 1.00 0.00 O ATOM 0 H GLY A 42 6.544 12.747 -5.037 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.420 13.278 -6.522 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.243 14.960 -6.063 1.00 0.00 H new ATOM 602 N LEU A 43 8.514 13.647 -3.331 1.00 0.00 N ATOM 603 CA LEU A 43 9.310 13.440 -2.126 1.00 0.00 C ATOM 604 C LEU A 43 9.861 12.018 -2.077 1.00 0.00 C ATOM 605 O LEU A 43 9.163 11.045 -2.359 1.00 0.00 O ATOM 606 CB LEU A 43 8.467 13.715 -0.880 1.00 0.00 C ATOM 607 CG LEU A 43 9.226 14.227 0.344 1.00 0.00 C ATOM 608 CD1 LEU A 43 8.342 15.142 1.177 1.00 0.00 C ATOM 609 CD2 LEU A 43 9.731 13.062 1.183 1.00 0.00 C ATOM 0 H LEU A 43 7.511 13.731 -3.164 1.00 0.00 H new ATOM 0 HA LEU A 43 10.149 14.136 -2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.700 14.445 -1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.951 12.795 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 43 10.086 14.802 0.000 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.900 15.496 2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.029 15.994 0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.462 14.592 1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.269 13.445 2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.885 12.461 1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.401 12.445 0.584 1.00 0.00 H new ATOM 621 N PRO A 44 11.145 11.894 -1.708 1.00 0.00 N ATOM 622 CA PRO A 44 11.818 10.596 -1.610 1.00 0.00 C ATOM 623 C PRO A 44 11.301 9.761 -0.444 1.00 0.00 C ATOM 624 O PRO A 44 10.957 10.295 0.612 1.00 0.00 O ATOM 625 CB PRO A 44 13.285 10.973 -1.388 1.00 0.00 C ATOM 626 CG PRO A 44 13.239 12.326 -0.767 1.00 0.00 C ATOM 627 CD PRO A 44 12.038 13.012 -1.358 1.00 0.00 C ATOM 0 HA PRO A 44 11.650 9.982 -2.495 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.784 10.255 -0.737 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.837 10.987 -2.328 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.154 12.255 0.317 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.151 12.884 -0.979 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.571 13.691 -0.644 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.304 13.604 -2.234 1.00 0.00 H new ATOM 635 N LYS A 45 11.247 8.448 -0.640 1.00 0.00 N ATOM 636 CA LYS A 45 10.773 7.538 0.396 1.00 0.00 C ATOM 637 C LYS A 45 11.620 7.661 1.658 1.00 0.00 C ATOM 638 O LYS A 45 11.097 7.887 2.750 1.00 0.00 O ATOM 639 CB LYS A 45 10.802 6.095 -0.112 1.00 0.00 C ATOM 640 CG LYS A 45 10.144 5.914 -1.469 1.00 0.00 C ATOM 641 CD LYS A 45 10.143 4.456 -1.898 1.00 0.00 C ATOM 642 CE LYS A 45 11.522 4.008 -2.356 1.00 0.00 C ATOM 643 NZ LYS A 45 11.457 2.773 -3.185 1.00 0.00 N ATOM 0 H LYS A 45 11.526 7.990 -1.508 1.00 0.00 H new ATOM 0 HA LYS A 45 9.746 7.810 0.641 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.838 5.761 -0.172 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.302 5.453 0.613 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.119 6.283 -1.430 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.670 6.513 -2.212 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.814 3.832 -1.067 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.426 4.314 -2.707 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.991 4.807 -2.931 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.153 3.828 -1.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.417 2.500 -3.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.033 2.003 -2.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.876 2.951 -4.029 1.00 0.00 H new ATOM 657 N LYS A 46 12.931 7.514 1.502 1.00 0.00 N ATOM 658 CA LYS A 46 13.852 7.611 2.628 1.00 0.00 C ATOM 659 C LYS A 46 13.490 8.789 3.527 1.00 0.00 C ATOM 660 O LYS A 46 13.850 8.816 4.703 1.00 0.00 O ATOM 661 CB LYS A 46 15.290 7.762 2.126 1.00 0.00 C ATOM 662 CG LYS A 46 15.456 8.843 1.072 1.00 0.00 C ATOM 663 CD LYS A 46 15.326 8.278 -0.332 1.00 0.00 C ATOM 664 CE LYS A 46 16.178 9.052 -1.326 1.00 0.00 C ATOM 665 NZ LYS A 46 17.633 8.846 -1.088 1.00 0.00 N ATOM 0 H LYS A 46 13.380 7.327 0.605 1.00 0.00 H new ATOM 0 HA LYS A 46 13.772 6.693 3.211 1.00 0.00 H new ATOM 0 HB2 LYS A 46 15.939 7.988 2.972 1.00 0.00 H new ATOM 0 HB3 LYS A 46 15.624 6.810 1.714 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.705 9.619 1.224 1.00 0.00 H new ATOM 0 HG3 LYS A 46 16.431 9.316 1.186 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.626 7.230 -0.333 1.00 0.00 H new ATOM 0 HD3 LYS A 46 14.282 8.311 -0.643 1.00 0.00 H new ATOM 0 HE2 LYS A 46 15.928 8.739 -2.340 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.945 10.114 -1.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 18.158 9.026 -1.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 17.960 9.501 -0.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 17.799 7.867 -0.780 1.00 0.00 H new ATOM 679 N GLN A 47 12.776 9.759 2.965 1.00 0.00 N ATOM 680 CA GLN A 47 12.365 10.939 3.717 1.00 0.00 C ATOM 681 C GLN A 47 10.930 10.795 4.213 1.00 0.00 C ATOM 682 O GLN A 47 10.656 10.960 5.401 1.00 0.00 O ATOM 683 CB GLN A 47 12.494 12.192 2.850 1.00 0.00 C ATOM 684 CG GLN A 47 13.933 12.571 2.539 1.00 0.00 C ATOM 685 CD GLN A 47 14.728 12.916 3.782 1.00 0.00 C ATOM 686 OE1 GLN A 47 14.418 13.879 4.484 1.00 0.00 O ATOM 687 NE2 GLN A 47 15.760 12.129 4.063 1.00 0.00 N ATOM 0 H GLN A 47 12.470 9.751 1.992 1.00 0.00 H new ATOM 0 HA GLN A 47 13.021 11.035 4.582 1.00 0.00 H new ATOM 0 HB2 GLN A 47 11.959 12.033 1.914 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.009 13.026 3.357 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.418 11.744 2.020 1.00 0.00 H new ATOM 0 HG3 GLN A 47 13.941 13.423 1.859 1.00 0.00 H new ATOM 0 HE21 GLN A 47 15.982 11.341 3.454 1.00 0.00 H new ATOM 0 HE22 GLN A 47 16.331 12.312 4.888 1.00 0.00 H new ATOM 696 N GLN A 48 10.019 10.487 3.295 1.00 0.00 N ATOM 697 CA GLN A 48 8.612 10.322 3.641 1.00 0.00 C ATOM 698 C GLN A 48 8.430 9.209 4.667 1.00 0.00 C ATOM 699 O GLN A 48 8.817 8.065 4.430 1.00 0.00 O ATOM 700 CB GLN A 48 7.790 10.016 2.387 1.00 0.00 C ATOM 701 CG GLN A 48 7.646 8.530 2.103 1.00 0.00 C ATOM 702 CD GLN A 48 7.167 8.250 0.692 1.00 0.00 C ATOM 703 OE1 GLN A 48 6.142 7.598 0.490 1.00 0.00 O ATOM 704 NE2 GLN A 48 7.908 8.743 -0.294 1.00 0.00 N ATOM 0 H GLN A 48 10.230 10.347 2.307 1.00 0.00 H new ATOM 0 HA GLN A 48 8.260 11.256 4.080 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.798 10.454 2.497 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.258 10.498 1.529 1.00 0.00 H new ATOM 0 HG2 GLN A 48 8.606 8.039 2.261 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.944 8.094 2.814 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.750 9.278 -0.081 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.635 8.587 -1.264 1.00 0.00 H new ATOM 713 N GLN A 49 7.840 9.553 5.807 1.00 0.00 N ATOM 714 CA GLN A 49 7.608 8.582 6.870 1.00 0.00 C ATOM 715 C GLN A 49 6.140 8.568 7.283 1.00 0.00 C ATOM 716 O GLN A 49 5.603 9.578 7.740 1.00 0.00 O ATOM 717 CB GLN A 49 8.488 8.900 8.080 1.00 0.00 C ATOM 718 CG GLN A 49 8.293 7.940 9.243 1.00 0.00 C ATOM 719 CD GLN A 49 9.411 8.024 10.263 1.00 0.00 C ATOM 720 OE1 GLN A 49 10.374 7.259 10.209 1.00 0.00 O ATOM 721 NE2 GLN A 49 9.289 8.956 11.201 1.00 0.00 N ATOM 0 H GLN A 49 7.514 10.496 6.018 1.00 0.00 H new ATOM 0 HA GLN A 49 7.869 7.594 6.490 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.534 8.879 7.774 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.275 9.914 8.417 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.343 8.156 9.732 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.230 6.921 8.861 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.474 9.569 11.208 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.011 9.059 11.915 1.00 0.00 H new ATOM 730 N LEU A 50 5.496 7.417 7.120 1.00 0.00 N ATOM 731 CA LEU A 50 4.089 7.271 7.477 1.00 0.00 C ATOM 732 C LEU A 50 3.940 6.670 8.871 1.00 0.00 C ATOM 733 O LEU A 50 4.617 5.702 9.215 1.00 0.00 O ATOM 734 CB LEU A 50 3.372 6.392 6.450 1.00 0.00 C ATOM 735 CG LEU A 50 3.443 6.862 4.997 1.00 0.00 C ATOM 736 CD1 LEU A 50 2.915 5.786 4.061 1.00 0.00 C ATOM 737 CD2 LEU A 50 2.664 8.157 4.817 1.00 0.00 C ATOM 0 H LEU A 50 5.925 6.572 6.743 1.00 0.00 H new ATOM 0 HA LEU A 50 3.635 8.262 7.479 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.791 5.387 6.507 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.323 6.317 6.736 1.00 0.00 H new ATOM 0 HG LEU A 50 4.487 7.051 4.747 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.973 6.139 3.031 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.515 4.883 4.170 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.877 5.564 4.310 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.725 8.477 3.777 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.620 7.994 5.086 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.088 8.929 5.460 1.00 0.00 H new ATOM 749 N GLU A 51 3.048 7.250 9.667 1.00 0.00 N ATOM 750 CA GLU A 51 2.809 6.770 11.023 1.00 0.00 C ATOM 751 C GLU A 51 1.347 6.375 11.211 1.00 0.00 C ATOM 752 O GLU A 51 0.445 7.014 10.668 1.00 0.00 O ATOM 753 CB GLU A 51 3.194 7.843 12.043 1.00 0.00 C ATOM 754 CG GLU A 51 4.651 7.783 12.469 1.00 0.00 C ATOM 755 CD GLU A 51 5.066 8.982 13.300 1.00 0.00 C ATOM 756 OE1 GLU A 51 4.812 10.124 12.864 1.00 0.00 O ATOM 757 OE2 GLU A 51 5.646 8.777 14.388 1.00 0.00 O ATOM 0 H GLU A 51 2.479 8.052 9.397 1.00 0.00 H new ATOM 0 HA GLU A 51 3.429 5.888 11.183 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.988 8.826 11.619 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.562 7.738 12.925 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.821 6.872 13.043 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.283 7.724 11.583 1.00 0.00 H new ATOM 764 N PHE A 52 1.120 5.318 11.984 1.00 0.00 N ATOM 765 CA PHE A 52 -0.231 4.836 12.243 1.00 0.00 C ATOM 766 C PHE A 52 -0.350 4.286 13.662 1.00 0.00 C ATOM 767 O PHE A 52 0.518 3.547 14.126 1.00 0.00 O ATOM 768 CB PHE A 52 -0.613 3.755 11.231 1.00 0.00 C ATOM 769 CG PHE A 52 -2.090 3.488 11.166 1.00 0.00 C ATOM 770 CD1 PHE A 52 -2.951 4.419 10.608 1.00 0.00 C ATOM 771 CD2 PHE A 52 -2.616 2.307 11.663 1.00 0.00 C ATOM 772 CE1 PHE A 52 -4.310 4.176 10.548 1.00 0.00 C ATOM 773 CE2 PHE A 52 -3.975 2.058 11.605 1.00 0.00 C ATOM 774 CZ PHE A 52 -4.823 2.994 11.046 1.00 0.00 C ATOM 0 H PHE A 52 1.855 4.779 12.442 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.916 5.678 12.140 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.262 4.054 10.243 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.096 2.830 11.487 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.556 5.344 10.216 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.957 1.572 12.101 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.971 4.910 10.112 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.373 1.133 11.996 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.885 2.802 10.998 1.00 0.00 H new ATOM 784 N GLN A 53 -1.430 4.653 14.344 1.00 0.00 N ATOM 785 CA GLN A 53 -1.662 4.197 15.709 1.00 0.00 C ATOM 786 C GLN A 53 -0.408 4.370 16.561 1.00 0.00 C ATOM 787 O GLN A 53 -0.199 3.642 17.530 1.00 0.00 O ATOM 788 CB GLN A 53 -2.097 2.731 15.713 1.00 0.00 C ATOM 789 CG GLN A 53 -3.541 2.523 15.286 1.00 0.00 C ATOM 790 CD GLN A 53 -4.083 1.170 15.701 1.00 0.00 C ATOM 791 OE1 GLN A 53 -3.594 0.556 16.650 1.00 0.00 O ATOM 792 NE2 GLN A 53 -5.100 0.696 14.990 1.00 0.00 N ATOM 0 H GLN A 53 -2.158 5.264 13.974 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.458 4.806 16.138 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.445 2.166 15.047 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.961 2.323 16.715 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.161 3.307 15.720 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.614 2.623 14.203 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.474 1.238 14.211 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.506 -0.210 15.223 1.00 0.00 H new ATOM 801 N GLY A 54 0.423 5.340 16.192 1.00 0.00 N ATOM 802 CA GLY A 54 1.646 5.591 16.932 1.00 0.00 C ATOM 803 C GLY A 54 2.675 4.496 16.739 1.00 0.00 C ATOM 804 O GLY A 54 3.453 4.201 17.646 1.00 0.00 O ATOM 0 H GLY A 54 0.271 5.957 15.394 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.070 6.544 16.615 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.413 5.683 17.993 1.00 0.00 H new ATOM 808 N GLN A 55 2.679 3.891 15.556 1.00 0.00 N ATOM 809 CA GLN A 55 3.619 2.820 15.249 1.00 0.00 C ATOM 810 C GLN A 55 4.228 3.010 13.863 1.00 0.00 C ATOM 811 O GLN A 55 3.514 3.055 12.861 1.00 0.00 O ATOM 812 CB GLN A 55 2.922 1.461 15.330 1.00 0.00 C ATOM 813 CG GLN A 55 2.310 1.011 14.013 1.00 0.00 C ATOM 814 CD GLN A 55 1.318 -0.122 14.187 1.00 0.00 C ATOM 815 OE1 GLN A 55 1.679 -1.218 14.616 1.00 0.00 O ATOM 816 NE2 GLN A 55 0.059 0.137 13.855 1.00 0.00 N ATOM 0 H GLN A 55 2.042 4.124 14.794 1.00 0.00 H new ATOM 0 HA GLN A 55 4.421 2.854 15.986 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.642 0.712 15.661 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.139 1.508 16.087 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.810 1.857 13.541 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.104 0.693 13.338 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.196 1.060 13.503 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.653 -0.587 13.952 1.00 0.00 H new ATOM 825 N VAL A 56 5.552 3.122 13.814 1.00 0.00 N ATOM 826 CA VAL A 56 6.257 3.307 12.551 1.00 0.00 C ATOM 827 C VAL A 56 6.100 2.086 11.651 1.00 0.00 C ATOM 828 O VAL A 56 6.635 1.015 11.940 1.00 0.00 O ATOM 829 CB VAL A 56 7.756 3.574 12.779 1.00 0.00 C ATOM 830 CG1 VAL A 56 8.464 3.813 11.455 1.00 0.00 C ATOM 831 CG2 VAL A 56 7.950 4.756 13.718 1.00 0.00 C ATOM 0 H VAL A 56 6.158 3.088 14.634 1.00 0.00 H new ATOM 0 HA VAL A 56 5.812 4.174 12.063 1.00 0.00 H new ATOM 0 HB VAL A 56 8.197 2.693 13.245 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.522 4.000 11.637 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.355 2.934 10.820 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.023 4.677 10.957 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.015 4.930 13.868 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.494 5.645 13.282 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.479 4.540 14.677 1.00 0.00 H new ATOM 841 N LEU A 57 5.364 2.255 10.558 1.00 0.00 N ATOM 842 CA LEU A 57 5.137 1.167 9.613 1.00 0.00 C ATOM 843 C LEU A 57 6.445 0.731 8.960 1.00 0.00 C ATOM 844 O LEU A 57 7.389 1.514 8.858 1.00 0.00 O ATOM 845 CB LEU A 57 4.137 1.599 8.539 1.00 0.00 C ATOM 846 CG LEU A 57 2.900 2.348 9.035 1.00 0.00 C ATOM 847 CD1 LEU A 57 2.087 2.873 7.862 1.00 0.00 C ATOM 848 CD2 LEU A 57 2.048 1.446 9.916 1.00 0.00 C ATOM 0 H LEU A 57 4.914 3.135 10.304 1.00 0.00 H new ATOM 0 HA LEU A 57 4.727 0.320 10.163 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.657 2.233 7.821 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.807 0.711 8.000 1.00 0.00 H new ATOM 0 HG LEU A 57 3.229 3.199 9.631 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.211 3.403 8.235 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.699 3.554 7.271 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.768 2.038 7.238 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.172 1.996 10.260 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.728 0.575 9.344 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.633 1.120 10.776 1.00 0.00 H new ATOM 860 N GLN A 58 6.492 -0.522 8.519 1.00 0.00 N ATOM 861 CA GLN A 58 7.684 -1.061 7.875 1.00 0.00 C ATOM 862 C GLN A 58 7.444 -1.283 6.385 1.00 0.00 C ATOM 863 O GLN A 58 6.389 -0.930 5.857 1.00 0.00 O ATOM 864 CB GLN A 58 8.097 -2.375 8.538 1.00 0.00 C ATOM 865 CG GLN A 58 8.770 -2.190 9.889 1.00 0.00 C ATOM 866 CD GLN A 58 10.036 -1.360 9.801 1.00 0.00 C ATOM 867 OE1 GLN A 58 10.519 -1.056 8.709 1.00 0.00 O ATOM 868 NE2 GLN A 58 10.582 -0.989 10.953 1.00 0.00 N ATOM 0 H GLN A 58 5.719 -1.183 8.596 1.00 0.00 H new ATOM 0 HA GLN A 58 8.489 -0.335 7.991 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.214 -3.002 8.664 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.776 -2.910 7.874 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.072 -1.710 10.576 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.009 -3.167 10.309 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.148 -1.263 11.835 1.00 0.00 H new ATOM 0 HE22 GLN A 58 11.435 -0.430 10.956 1.00 0.00 H new ATOM 877 N ASP A 59 8.429 -1.869 5.713 1.00 0.00 N ATOM 878 CA ASP A 59 8.324 -2.139 4.284 1.00 0.00 C ATOM 879 C ASP A 59 7.975 -3.602 4.032 1.00 0.00 C ATOM 880 O ASP A 59 7.301 -3.930 3.055 1.00 0.00 O ATOM 881 CB ASP A 59 9.636 -1.787 3.580 1.00 0.00 C ATOM 882 CG ASP A 59 10.837 -2.448 4.227 1.00 0.00 C ATOM 883 OD1 ASP A 59 11.324 -1.923 5.250 1.00 0.00 O ATOM 884 OD2 ASP A 59 11.288 -3.491 3.711 1.00 0.00 O ATOM 0 H ASP A 59 9.309 -2.166 6.135 1.00 0.00 H new ATOM 0 HA ASP A 59 7.525 -1.518 3.879 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.577 -2.091 2.535 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.771 -0.705 3.590 1.00 0.00 H new ATOM 889 N TRP A 60 8.437 -4.477 4.917 1.00 0.00 N ATOM 890 CA TRP A 60 8.174 -5.906 4.789 1.00 0.00 C ATOM 891 C TRP A 60 6.915 -6.298 5.555 1.00 0.00 C ATOM 892 O TRP A 60 6.575 -7.478 5.646 1.00 0.00 O ATOM 893 CB TRP A 60 9.369 -6.713 5.300 1.00 0.00 C ATOM 894 CG TRP A 60 9.423 -6.815 6.794 1.00 0.00 C ATOM 895 CD1 TRP A 60 8.903 -7.813 7.567 1.00 0.00 C ATOM 896 CD2 TRP A 60 10.028 -5.881 7.695 1.00 0.00 C ATOM 897 NE1 TRP A 60 9.149 -7.557 8.894 1.00 0.00 N ATOM 898 CE2 TRP A 60 9.839 -6.378 8.999 1.00 0.00 C ATOM 899 CE3 TRP A 60 10.714 -4.675 7.527 1.00 0.00 C ATOM 900 CZ2 TRP A 60 10.309 -5.709 10.126 1.00 0.00 C ATOM 901 CZ3 TRP A 60 11.181 -4.013 8.646 1.00 0.00 C ATOM 902 CH2 TRP A 60 10.977 -4.531 9.932 1.00 0.00 C ATOM 0 H TRP A 60 8.996 -4.222 5.731 1.00 0.00 H new ATOM 0 HA TRP A 60 8.019 -6.129 3.733 1.00 0.00 H new ATOM 0 HB2 TRP A 60 9.328 -7.716 4.876 1.00 0.00 H new ATOM 0 HB3 TRP A 60 10.289 -6.252 4.941 1.00 0.00 H new ATOM 0 HD1 TRP A 60 8.376 -8.677 7.190 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.864 -8.149 9.675 1.00 0.00 H new ATOM 0 HE3 TRP A 60 10.876 -4.268 6.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 10.152 -6.106 11.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 11.712 -3.080 8.528 1.00 0.00 H new ATOM 0 HH2 TRP A 60 11.355 -3.990 10.787 1.00 0.00 H new ATOM 913 N LEU A 61 6.228 -5.303 6.104 1.00 0.00 N ATOM 914 CA LEU A 61 5.005 -5.544 6.863 1.00 0.00 C ATOM 915 C LEU A 61 3.772 -5.244 6.017 1.00 0.00 C ATOM 916 O LEU A 61 3.273 -4.119 6.008 1.00 0.00 O ATOM 917 CB LEU A 61 4.990 -4.688 8.130 1.00 0.00 C ATOM 918 CG LEU A 61 5.663 -5.298 9.360 1.00 0.00 C ATOM 919 CD1 LEU A 61 7.040 -5.836 9.004 1.00 0.00 C ATOM 920 CD2 LEU A 61 5.762 -4.271 10.478 1.00 0.00 C ATOM 0 H LEU A 61 6.497 -4.321 6.038 1.00 0.00 H new ATOM 0 HA LEU A 61 4.982 -6.597 7.144 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.476 -3.738 7.908 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.953 -4.465 8.381 1.00 0.00 H new ATOM 0 HG LEU A 61 5.051 -6.129 9.710 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.503 -6.266 9.892 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.943 -6.604 8.237 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.662 -5.024 8.628 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.244 -4.723 11.345 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.351 -3.419 10.138 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.762 -3.934 10.752 1.00 0.00 H new ATOM 932 N GLY A 62 3.283 -6.258 5.310 1.00 0.00 N ATOM 933 CA GLY A 62 2.111 -6.083 4.473 1.00 0.00 C ATOM 934 C GLY A 62 1.059 -5.208 5.125 1.00 0.00 C ATOM 935 O GLY A 62 0.986 -5.121 6.352 1.00 0.00 O ATOM 0 H GLY A 62 3.678 -7.198 5.302 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.410 -5.640 3.523 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.680 -7.059 4.248 1.00 0.00 H new ATOM 939 N LEU A 63 0.243 -4.555 4.305 1.00 0.00 N ATOM 940 CA LEU A 63 -0.810 -3.680 4.809 1.00 0.00 C ATOM 941 C LEU A 63 -1.635 -4.384 5.881 1.00 0.00 C ATOM 942 O LEU A 63 -1.826 -3.858 6.977 1.00 0.00 O ATOM 943 CB LEU A 63 -1.718 -3.230 3.663 1.00 0.00 C ATOM 944 CG LEU A 63 -1.305 -1.945 2.944 1.00 0.00 C ATOM 945 CD1 LEU A 63 -0.289 -2.248 1.853 1.00 0.00 C ATOM 946 CD2 LEU A 63 -2.523 -1.244 2.362 1.00 0.00 C ATOM 0 H LEU A 63 0.290 -4.615 3.288 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.339 -2.804 5.256 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.768 -4.034 2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.726 -3.095 4.056 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.840 -1.278 3.670 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.006 -1.322 1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.596 -2.705 2.296 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.727 -2.934 1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.210 -0.332 1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.017 -1.905 1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.216 -0.993 3.165 1.00 0.00 H new ATOM 958 N GLY A 64 -2.122 -5.578 5.558 1.00 0.00 N ATOM 959 CA GLY A 64 -2.919 -6.336 6.505 1.00 0.00 C ATOM 960 C GLY A 64 -2.175 -6.617 7.795 1.00 0.00 C ATOM 961 O GLY A 64 -2.749 -6.534 8.881 1.00 0.00 O ATOM 0 H GLY A 64 -1.979 -6.034 4.657 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.833 -5.785 6.729 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.219 -7.280 6.049 1.00 0.00 H new ATOM 965 N ILE A 65 -0.895 -6.953 7.677 1.00 0.00 N ATOM 966 CA ILE A 65 -0.072 -7.249 8.843 1.00 0.00 C ATOM 967 C ILE A 65 -0.429 -6.338 10.012 1.00 0.00 C ATOM 968 O ILE A 65 -0.544 -6.789 11.152 1.00 0.00 O ATOM 969 CB ILE A 65 1.428 -7.097 8.527 1.00 0.00 C ATOM 970 CG1 ILE A 65 1.822 -8.015 7.368 1.00 0.00 C ATOM 971 CG2 ILE A 65 2.263 -7.405 9.761 1.00 0.00 C ATOM 972 CD1 ILE A 65 1.527 -9.475 7.626 1.00 0.00 C ATOM 0 H ILE A 65 -0.405 -7.027 6.785 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.273 -8.285 9.117 1.00 0.00 H new ATOM 0 HB ILE A 65 1.620 -6.066 8.231 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.293 -7.699 6.469 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.887 -7.898 7.168 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.321 -7.293 9.522 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.997 -6.715 10.562 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.070 -8.428 10.085 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.832 -10.066 6.762 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.078 -9.807 8.506 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.458 -9.606 7.796 1.00 0.00 H new ATOM 984 N TYR A 66 -0.603 -5.053 9.722 1.00 0.00 N ATOM 985 CA TYR A 66 -0.946 -4.078 10.750 1.00 0.00 C ATOM 986 C TYR A 66 -2.448 -4.074 11.018 1.00 0.00 C ATOM 987 O TYR A 66 -2.885 -4.046 12.168 1.00 0.00 O ATOM 988 CB TYR A 66 -0.489 -2.680 10.329 1.00 0.00 C ATOM 989 CG TYR A 66 0.964 -2.399 10.641 1.00 0.00 C ATOM 990 CD1 TYR A 66 1.488 -2.660 11.900 1.00 0.00 C ATOM 991 CD2 TYR A 66 1.812 -1.873 9.674 1.00 0.00 C ATOM 992 CE1 TYR A 66 2.814 -2.404 12.189 1.00 0.00 C ATOM 993 CE2 TYR A 66 3.141 -1.615 9.954 1.00 0.00 C ATOM 994 CZ TYR A 66 3.637 -1.882 11.213 1.00 0.00 C ATOM 995 OH TYR A 66 4.959 -1.627 11.496 1.00 0.00 O ATOM 0 H TYR A 66 -0.512 -4.663 8.784 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.432 -4.361 11.669 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.652 -2.561 9.258 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.110 -1.937 10.830 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.848 -3.070 12.667 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.426 -1.662 8.687 1.00 0.00 H new ATOM 0 HE1 TYR A 66 3.205 -2.612 13.174 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.787 -1.207 9.191 1.00 0.00 H new ATOM 0 HH TYR A 66 5.275 -2.257 12.176 1.00 0.00 H new ATOM 1005 N GLY A 67 -3.234 -4.104 9.946 1.00 0.00 N ATOM 1006 CA GLY A 67 -4.679 -4.104 10.085 1.00 0.00 C ATOM 1007 C GLY A 67 -5.312 -2.829 9.563 1.00 0.00 C ATOM 1008 O GLY A 67 -6.321 -2.367 10.095 1.00 0.00 O ATOM 0 H GLY A 67 -2.896 -4.128 8.984 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.093 -4.958 9.548 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.940 -4.232 11.136 1.00 0.00 H new ATOM 1012 N ILE A 68 -4.718 -2.260 8.520 1.00 0.00 N ATOM 1013 CA ILE A 68 -5.230 -1.031 7.927 1.00 0.00 C ATOM 1014 C ILE A 68 -6.544 -1.280 7.195 1.00 0.00 C ATOM 1015 O ILE A 68 -6.683 -2.263 6.467 1.00 0.00 O ATOM 1016 CB ILE A 68 -4.216 -0.416 6.944 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -2.949 0.013 7.686 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -4.836 0.768 6.216 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -1.803 0.374 6.767 1.00 0.00 C ATOM 0 H ILE A 68 -3.882 -2.630 8.068 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.400 -0.332 8.746 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.944 -1.171 6.206 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.181 0.870 8.318 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.634 -0.795 8.347 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.108 1.192 5.525 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.712 0.435 5.660 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.133 1.526 6.941 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.938 0.668 7.362 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.544 -0.488 6.152 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.100 1.202 6.124 1.00 0.00 H new ATOM 1031 N GLN A 69 -7.504 -0.383 7.391 1.00 0.00 N ATOM 1032 CA GLN A 69 -8.807 -0.505 6.748 1.00 0.00 C ATOM 1033 C GLN A 69 -8.954 0.509 5.619 1.00 0.00 C ATOM 1034 O GLN A 69 -8.284 1.542 5.608 1.00 0.00 O ATOM 1035 CB GLN A 69 -9.925 -0.311 7.774 1.00 0.00 C ATOM 1036 CG GLN A 69 -10.007 1.104 8.324 1.00 0.00 C ATOM 1037 CD GLN A 69 -10.798 1.183 9.615 1.00 0.00 C ATOM 1038 OE1 GLN A 69 -12.002 0.926 9.636 1.00 0.00 O ATOM 1039 NE2 GLN A 69 -10.124 1.541 10.702 1.00 0.00 N ATOM 0 H GLN A 69 -7.404 0.437 7.990 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.883 -1.506 6.324 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -10.879 -0.569 7.313 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -9.773 -1.005 8.601 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.999 1.482 8.496 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -10.468 1.753 7.579 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -9.127 1.745 10.639 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.604 1.612 11.599 1.00 0.00 H new ATOM 1048 N ASP A 70 -9.835 0.208 4.671 1.00 0.00 N ATOM 1049 CA ASP A 70 -10.071 1.094 3.537 1.00 0.00 C ATOM 1050 C ASP A 70 -10.553 2.463 4.008 1.00 0.00 C ATOM 1051 O ASP A 70 -11.152 2.587 5.077 1.00 0.00 O ATOM 1052 CB ASP A 70 -11.098 0.478 2.586 1.00 0.00 C ATOM 1053 CG ASP A 70 -11.843 1.525 1.782 1.00 0.00 C ATOM 1054 OD1 ASP A 70 -11.226 2.132 0.881 1.00 0.00 O ATOM 1055 OD2 ASP A 70 -13.044 1.736 2.052 1.00 0.00 O ATOM 0 H ASP A 70 -10.397 -0.643 4.665 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.128 1.223 3.006 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.593 -0.207 1.905 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.813 -0.112 3.160 1.00 0.00 H new ATOM 1060 N SER A 71 -10.286 3.487 3.205 1.00 0.00 N ATOM 1061 CA SER A 71 -10.689 4.848 3.541 1.00 0.00 C ATOM 1062 C SER A 71 -10.049 5.295 4.853 1.00 0.00 C ATOM 1063 O SER A 71 -10.679 5.976 5.663 1.00 0.00 O ATOM 1064 CB SER A 71 -12.212 4.941 3.646 1.00 0.00 C ATOM 1065 OG SER A 71 -12.825 4.695 2.392 1.00 0.00 O ATOM 0 H SER A 71 -9.792 3.401 2.317 1.00 0.00 H new ATOM 0 HA SER A 71 -10.346 5.509 2.745 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.574 4.220 4.379 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.495 5.930 4.005 1.00 0.00 H new ATOM 0 HG SER A 71 -13.054 3.745 2.320 1.00 0.00 H new ATOM 1071 N ASP A 72 -8.796 4.905 5.055 1.00 0.00 N ATOM 1072 CA ASP A 72 -8.069 5.265 6.267 1.00 0.00 C ATOM 1073 C ASP A 72 -7.263 6.543 6.058 1.00 0.00 C ATOM 1074 O ASP A 72 -7.029 6.965 4.925 1.00 0.00 O ATOM 1075 CB ASP A 72 -7.141 4.125 6.689 1.00 0.00 C ATOM 1076 CG ASP A 72 -6.130 3.775 5.615 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -5.209 4.585 5.380 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -6.259 2.690 5.010 1.00 0.00 O ATOM 0 H ASP A 72 -8.262 4.339 4.395 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.797 5.442 7.059 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -6.615 4.407 7.601 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.737 3.243 6.924 1.00 0.00 H new ATOM 1083 N THR A 73 -6.841 7.158 7.159 1.00 0.00 N ATOM 1084 CA THR A 73 -6.064 8.389 7.097 1.00 0.00 C ATOM 1085 C THR A 73 -4.628 8.156 7.553 1.00 0.00 C ATOM 1086 O THR A 73 -4.388 7.631 8.641 1.00 0.00 O ATOM 1087 CB THR A 73 -6.693 9.495 7.965 1.00 0.00 C ATOM 1088 OG1 THR A 73 -8.025 9.771 7.519 1.00 0.00 O ATOM 1089 CG2 THR A 73 -5.860 10.767 7.908 1.00 0.00 C ATOM 0 H THR A 73 -7.025 6.823 8.105 1.00 0.00 H new ATOM 0 HA THR A 73 -6.064 8.711 6.056 1.00 0.00 H new ATOM 0 HB THR A 73 -6.722 9.144 8.996 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.418 10.474 8.077 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.324 11.534 8.529 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.855 10.561 8.277 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.803 11.119 6.878 1.00 0.00 H new ATOM 1097 N LEU A 74 -3.675 8.549 6.715 1.00 0.00 N ATOM 1098 CA LEU A 74 -2.261 8.384 7.033 1.00 0.00 C ATOM 1099 C LEU A 74 -1.563 9.737 7.134 1.00 0.00 C ATOM 1100 O LEU A 74 -1.700 10.584 6.251 1.00 0.00 O ATOM 1101 CB LEU A 74 -1.576 7.523 5.969 1.00 0.00 C ATOM 1102 CG LEU A 74 -2.109 6.098 5.815 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -1.584 5.468 4.534 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -1.729 5.253 7.022 1.00 0.00 C ATOM 0 H LEU A 74 -3.856 8.984 5.810 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.188 7.885 7.999 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.665 8.029 5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.513 7.469 6.203 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.197 6.141 5.755 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.973 4.454 4.441 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.907 6.061 3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.495 5.437 4.564 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.117 4.242 6.895 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.643 5.217 7.113 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.154 5.694 7.923 1.00 0.00 H new ATOM 1116 N ILE A 75 -0.815 9.931 8.215 1.00 0.00 N ATOM 1117 CA ILE A 75 -0.094 11.179 8.429 1.00 0.00 C ATOM 1118 C ILE A 75 1.302 11.120 7.818 1.00 0.00 C ATOM 1119 O ILE A 75 2.023 10.135 7.984 1.00 0.00 O ATOM 1120 CB ILE A 75 0.028 11.509 9.929 1.00 0.00 C ATOM 1121 CG1 ILE A 75 -1.350 11.483 10.592 1.00 0.00 C ATOM 1122 CG2 ILE A 75 0.690 12.865 10.121 1.00 0.00 C ATOM 1123 CD1 ILE A 75 -2.359 12.393 9.926 1.00 0.00 C ATOM 0 H ILE A 75 -0.693 9.240 8.956 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.670 11.964 7.938 1.00 0.00 H new ATOM 0 HB ILE A 75 0.653 10.752 10.403 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.731 10.462 10.580 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.247 11.772 11.638 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.769 13.084 11.186 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.686 12.849 9.679 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.090 13.635 9.636 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.313 12.323 10.449 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.000 13.422 9.961 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.492 12.091 8.887 1.00 0.00 H new ATOM 1135 N LEU A 76 1.678 12.180 7.112 1.00 0.00 N ATOM 1136 CA LEU A 76 2.990 12.250 6.477 1.00 0.00 C ATOM 1137 C LEU A 76 3.858 13.318 7.135 1.00 0.00 C ATOM 1138 O LEU A 76 3.414 14.445 7.353 1.00 0.00 O ATOM 1139 CB LEU A 76 2.840 12.548 4.984 1.00 0.00 C ATOM 1140 CG LEU A 76 4.141 12.762 4.208 1.00 0.00 C ATOM 1141 CD1 LEU A 76 4.898 11.450 4.064 1.00 0.00 C ATOM 1142 CD2 LEU A 76 3.854 13.367 2.842 1.00 0.00 C ATOM 0 H LEU A 76 1.094 13.003 6.964 1.00 0.00 H new ATOM 0 HA LEU A 76 3.478 11.284 6.602 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.296 11.724 4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.223 13.439 4.872 1.00 0.00 H new ATOM 0 HG LEU A 76 4.765 13.459 4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.821 11.621 3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.136 11.057 5.052 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.280 10.730 3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.791 13.512 2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.210 12.695 2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.355 14.328 2.967 1.00 0.00 H new ATOM 1154 N SER A 77 5.098 12.955 7.448 1.00 0.00 N ATOM 1155 CA SER A 77 6.028 13.882 8.083 1.00 0.00 C ATOM 1156 C SER A 77 7.447 13.667 7.566 1.00 0.00 C ATOM 1157 O SER A 77 7.956 12.546 7.561 1.00 0.00 O ATOM 1158 CB SER A 77 5.995 13.708 9.603 1.00 0.00 C ATOM 1159 OG SER A 77 4.821 14.279 10.156 1.00 0.00 O ATOM 0 H SER A 77 5.482 12.026 7.272 1.00 0.00 H new ATOM 0 HA SER A 77 5.719 14.897 7.833 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.040 12.648 9.852 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.874 14.177 10.045 1.00 0.00 H new ATOM 0 HG SER A 77 4.230 14.576 9.433 1.00 0.00 H new ATOM 1165 N LYS A 78 8.081 14.750 7.131 1.00 0.00 N ATOM 1166 CA LYS A 78 9.442 14.683 6.612 1.00 0.00 C ATOM 1167 C LYS A 78 10.439 14.408 7.733 1.00 0.00 C ATOM 1168 O LYS A 78 10.191 14.737 8.893 1.00 0.00 O ATOM 1169 CB LYS A 78 9.804 15.990 5.903 1.00 0.00 C ATOM 1170 CG LYS A 78 8.733 16.479 4.944 1.00 0.00 C ATOM 1171 CD LYS A 78 9.017 17.892 4.463 1.00 0.00 C ATOM 1172 CE LYS A 78 10.271 17.948 3.605 1.00 0.00 C ATOM 1173 NZ LYS A 78 10.767 19.342 3.436 1.00 0.00 N ATOM 0 H LYS A 78 7.674 15.685 7.127 1.00 0.00 H new ATOM 0 HA LYS A 78 9.491 13.862 5.896 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.989 16.760 6.652 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.735 15.850 5.354 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.676 15.807 4.088 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.761 16.450 5.437 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.166 18.260 3.890 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.133 18.553 5.322 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.051 17.338 4.062 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.061 17.516 2.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.623 19.337 2.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.033 19.918 2.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.992 19.746 4.368 1.00 0.00 H new ATOM 1187 N LYS A 79 11.568 13.804 7.379 1.00 0.00 N ATOM 1188 CA LYS A 79 12.605 13.486 8.354 1.00 0.00 C ATOM 1189 C LYS A 79 13.381 14.738 8.751 1.00 0.00 C ATOM 1190 O LYS A 79 14.066 15.344 7.926 1.00 0.00 O ATOM 1191 CB LYS A 79 13.564 12.438 7.787 1.00 0.00 C ATOM 1192 CG LYS A 79 12.894 11.114 7.461 1.00 0.00 C ATOM 1193 CD LYS A 79 12.934 10.163 8.646 1.00 0.00 C ATOM 1194 CE LYS A 79 12.462 8.770 8.258 1.00 0.00 C ATOM 1195 NZ LYS A 79 13.590 7.909 7.805 1.00 0.00 N ATOM 0 H LYS A 79 11.789 13.525 6.423 1.00 0.00 H new ATOM 0 HA LYS A 79 12.120 13.082 9.243 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.028 12.833 6.883 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.364 12.263 8.506 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.859 11.291 7.170 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.391 10.654 6.607 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.950 10.109 9.036 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.305 10.551 9.447 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.968 8.303 9.110 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.721 8.846 7.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.332 6.908 7.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.792 8.100 6.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.435 8.117 8.374 1.00 0.00 H new