USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 488 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 68 THR OG1 : rot 180:sc= -0.309 USER MOD Set 1.2: A 69 SER OG : rot 180:sc= 0.116 USER MOD Set 2.1: A 6 THR OG1 : rot 14:sc= 0.148! USER MOD Set 2.2: A 50 LYS NZ :NH3+ 168:sc= -0.525 (180deg=-0.761) USER MOD Set 3.1: A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 66 ASN :FLIP amide:sc= -1.89! C(o=-3.1!,f=-1.9!) USER MOD Single : A 5 MET CE :methyl -154:sc= -0.138 (180deg=-0.866) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -3.09! C(o=-3.1!,f=-3.3!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -140:sc= -0.787 USER MOD Single : A 27 SER OG : rot -69:sc= 0.622 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -1.05 K(o=-1,f=-4.9!) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0157 USER MOD Single : A 38 GLN :FLIP amide:sc= -6.35! C(o=-13!,f=-6.3!) USER MOD Single : A 39 ASN : amide:sc= -0.185 K(o=-0.18,f=-1.3!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 144:sc= 1.11 (180deg=0.591) USER MOD Single : A 44 SER OG : rot 5:sc= 1.18 USER MOD Single : A 49 GLN : amide:sc= -1.24 K(o=-1.2,f=-3.3!) USER MOD Single : A 52 SER OG : rot 53:sc= 0.776 USER MOD Single : A 54 THR OG1 : rot -73:sc= 0.623 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 160:sc= -0.014 (180deg=-0.539) USER MOD ----------------------------------------------------------------- ATOM 12 N GLY A 3 -11.812 -2.749 10.356 1.00 0.00 N ATOM 13 CA GLY A 3 -11.589 -2.454 8.952 1.00 0.00 C ATOM 14 C GLY A 3 -10.128 -2.049 8.747 1.00 0.00 C ATOM 15 O GLY A 3 -9.486 -1.639 9.725 1.00 0.00 O ATOM 0 HA2 GLY A 3 -11.825 -3.327 8.343 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -12.250 -1.650 8.628 1.00 0.00 H new ATOM 19 N LYS A 4 -9.639 -2.170 7.499 1.00 0.00 N ATOM 20 CA LYS A 4 -8.266 -1.818 7.173 1.00 0.00 C ATOM 21 C LYS A 4 -8.194 -0.329 6.829 1.00 0.00 C ATOM 22 O LYS A 4 -9.188 0.377 7.052 1.00 0.00 O ATOM 23 CB LYS A 4 -7.728 -2.731 6.069 1.00 0.00 C ATOM 24 CG LYS A 4 -8.766 -3.781 5.671 1.00 0.00 C ATOM 25 CD LYS A 4 -9.073 -4.719 6.839 1.00 0.00 C ATOM 26 CE LYS A 4 -9.005 -6.183 6.400 1.00 0.00 C ATOM 27 NZ LYS A 4 -8.750 -7.057 7.558 1.00 0.00 N ATOM 0 H LYS A 4 -10.184 -2.510 6.707 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.616 -1.978 8.033 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.457 -2.134 5.198 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.819 -3.225 6.412 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.682 -3.287 5.346 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.397 -4.359 4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.362 -4.545 7.647 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.065 -4.500 7.235 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.941 -6.469 5.920 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.215 -6.311 5.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.707 -8.047 7.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.845 -6.794 7.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.518 -6.948 8.251 1.00 0.00 H new ATOM 41 N MET A 5 -7.037 0.111 6.303 1.00 0.00 N ATOM 42 CA MET A 5 -6.840 1.503 5.933 1.00 0.00 C ATOM 43 C MET A 5 -6.480 1.586 4.449 1.00 0.00 C ATOM 44 O MET A 5 -5.775 0.692 3.962 1.00 0.00 O ATOM 45 CB MET A 5 -5.715 2.120 6.766 1.00 0.00 C ATOM 46 CG MET A 5 -4.910 1.038 7.488 1.00 0.00 C ATOM 47 SD MET A 5 -5.810 0.472 8.963 1.00 0.00 S ATOM 48 CE MET A 5 -5.680 1.957 10.001 1.00 0.00 C ATOM 0 H MET A 5 -6.229 -0.487 6.129 1.00 0.00 H new ATOM 0 HA MET A 5 -7.761 2.054 6.122 1.00 0.00 H new ATOM 0 HB2 MET A 5 -5.055 2.699 6.120 1.00 0.00 H new ATOM 0 HB3 MET A 5 -6.135 2.813 7.495 1.00 0.00 H new ATOM 0 HG2 MET A 5 -4.731 0.198 6.817 1.00 0.00 H new ATOM 0 HG3 MET A 5 -3.934 1.430 7.775 1.00 0.00 H new ATOM 0 HE1 MET A 5 -5.745 1.673 11.051 1.00 0.00 H new ATOM 0 HE2 MET A 5 -4.724 2.448 9.816 1.00 0.00 H new ATOM 0 HE3 MET A 5 -6.492 2.642 9.759 1.00 0.00 H new ATOM 58 N THR A 6 -6.966 2.642 3.770 1.00 0.00 N ATOM 59 CA THR A 6 -6.698 2.836 2.355 1.00 0.00 C ATOM 60 C THR A 6 -5.338 3.518 2.188 1.00 0.00 C ATOM 61 O THR A 6 -5.032 4.424 2.976 1.00 0.00 O ATOM 62 CB THR A 6 -7.854 3.630 1.744 1.00 0.00 C ATOM 63 OG1 THR A 6 -7.719 4.932 2.310 1.00 0.00 O ATOM 64 CG2 THR A 6 -9.221 3.150 2.237 1.00 0.00 C ATOM 0 H THR A 6 -7.546 3.368 4.190 1.00 0.00 H new ATOM 0 HA THR A 6 -6.639 1.886 1.823 1.00 0.00 H new ATOM 0 HB THR A 6 -7.812 3.552 0.658 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.835 5.019 2.724 1.00 0.00 H new ATOM 0 HG21 THR A 6 -10.006 3.747 1.772 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.357 2.102 1.970 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.276 3.259 3.320 1.00 0.00 H new ATOM 72 N GLY A 7 -4.563 3.073 1.182 1.00 0.00 N ATOM 73 CA GLY A 7 -3.249 3.636 0.916 1.00 0.00 C ATOM 74 C GLY A 7 -2.705 3.053 -0.388 1.00 0.00 C ATOM 75 O GLY A 7 -2.436 1.844 -0.427 1.00 0.00 O ATOM 0 H GLY A 7 -4.835 2.324 0.545 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.314 4.722 0.843 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.571 3.411 1.739 1.00 0.00 H new ATOM 79 N ILE A 8 -2.553 3.911 -1.413 1.00 0.00 N ATOM 80 CA ILE A 8 -2.044 3.484 -2.705 1.00 0.00 C ATOM 81 C ILE A 8 -0.540 3.225 -2.597 1.00 0.00 C ATOM 82 O ILE A 8 0.148 4.017 -1.936 1.00 0.00 O ATOM 83 CB ILE A 8 -2.418 4.496 -3.791 1.00 0.00 C ATOM 84 CG1 ILE A 8 -1.245 5.432 -4.092 1.00 0.00 C ATOM 85 CG2 ILE A 8 -3.683 5.266 -3.409 1.00 0.00 C ATOM 86 CD1 ILE A 8 -1.742 6.772 -4.641 1.00 0.00 C ATOM 0 H ILE A 8 -2.779 4.904 -1.359 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.508 2.544 -3.005 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.639 3.950 -4.708 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.666 5.599 -3.184 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.577 4.964 -4.815 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.927 5.978 -4.197 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.510 4.567 -3.282 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.515 5.802 -2.475 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.890 7.419 -4.847 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.300 6.603 -5.562 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.390 7.249 -3.906 1.00 0.00 H new ATOM 98 N VAL A 9 -0.068 2.140 -3.238 1.00 0.00 N ATOM 99 CA VAL A 9 1.341 1.785 -3.213 1.00 0.00 C ATOM 100 C VAL A 9 2.031 2.370 -4.446 1.00 0.00 C ATOM 101 O VAL A 9 1.395 2.426 -5.508 1.00 0.00 O ATOM 102 CB VAL A 9 1.496 0.267 -3.105 1.00 0.00 C ATOM 103 CG1 VAL A 9 0.304 -0.354 -2.374 1.00 0.00 C ATOM 104 CG2 VAL A 9 1.680 -0.365 -4.486 1.00 0.00 C ATOM 0 H VAL A 9 -0.652 1.501 -3.777 1.00 0.00 H new ATOM 0 HA VAL A 9 1.827 2.211 -2.335 1.00 0.00 H new ATOM 0 HB VAL A 9 2.393 0.062 -2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.438 -1.434 -2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.236 0.063 -1.369 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.613 -0.134 -2.921 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.788 -1.445 -4.381 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.810 -0.146 -5.105 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.573 0.045 -4.957 1.00 0.00 H new ATOM 114 N LYS A 10 3.302 2.785 -4.284 1.00 0.00 N ATOM 115 CA LYS A 10 4.068 3.360 -5.377 1.00 0.00 C ATOM 116 C LYS A 10 4.852 2.252 -6.082 1.00 0.00 C ATOM 117 O LYS A 10 4.798 2.187 -7.319 1.00 0.00 O ATOM 118 CB LYS A 10 4.946 4.507 -4.870 1.00 0.00 C ATOM 119 CG LYS A 10 4.091 5.684 -4.398 1.00 0.00 C ATOM 120 CD LYS A 10 3.896 6.706 -5.519 1.00 0.00 C ATOM 121 CE LYS A 10 5.130 7.597 -5.670 1.00 0.00 C ATOM 122 NZ LYS A 10 4.970 8.509 -6.815 1.00 0.00 N ATOM 0 H LYS A 10 3.810 2.727 -3.401 1.00 0.00 H new ATOM 0 HA LYS A 10 3.402 3.802 -6.118 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.572 4.155 -4.050 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.616 4.835 -5.664 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.121 5.320 -4.060 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.567 6.164 -3.543 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.700 6.188 -6.458 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.022 7.322 -5.306 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.284 8.173 -4.757 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.017 6.979 -5.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.816 9.107 -6.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.845 7.954 -7.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.135 9.111 -6.665 1.00 0.00 H new ATOM 136 N TRP A 11 5.551 1.414 -5.296 1.00 0.00 N ATOM 137 CA TRP A 11 6.337 0.320 -5.842 1.00 0.00 C ATOM 138 C TRP A 11 5.857 -0.999 -5.234 1.00 0.00 C ATOM 139 O TRP A 11 5.146 -0.957 -4.219 1.00 0.00 O ATOM 140 CB TRP A 11 7.828 0.576 -5.618 1.00 0.00 C ATOM 141 CG TRP A 11 8.133 1.888 -4.892 1.00 0.00 C ATOM 142 CD1 TRP A 11 7.655 3.110 -5.165 1.00 0.00 C ATOM 143 CD2 TRP A 11 9.012 2.061 -3.760 1.00 0.00 C ATOM 144 NE1 TRP A 11 8.158 4.055 -4.292 1.00 0.00 N ATOM 145 CE2 TRP A 11 9.008 3.396 -3.411 1.00 0.00 C ATOM 146 CE3 TRP A 11 9.780 1.120 -3.054 1.00 0.00 C ATOM 147 CZ2 TRP A 11 9.757 3.912 -2.346 1.00 0.00 C ATOM 148 CZ3 TRP A 11 10.523 1.652 -1.991 1.00 0.00 C ATOM 149 CH2 TRP A 11 10.532 2.994 -1.628 1.00 0.00 C ATOM 0 H TRP A 11 5.580 1.483 -4.279 1.00 0.00 H new ATOM 0 HA TRP A 11 6.196 0.252 -6.921 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.246 -0.251 -5.043 1.00 0.00 H new ATOM 0 HB3 TRP A 11 8.334 0.581 -6.583 1.00 0.00 H new ATOM 0 HD1 TRP A 11 6.964 3.328 -5.966 1.00 0.00 H new ATOM 0 HE1 TRP A 11 7.945 5.053 -4.293 1.00 0.00 H new ATOM 0 HE3 TRP A 11 9.797 0.071 -3.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 9.738 4.962 -2.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 11.131 0.972 -1.413 1.00 0.00 H new ATOM 0 HH2 TRP A 11 11.134 3.327 -0.796 1.00 0.00 H new ATOM 160 N PHE A 12 6.249 -2.126 -5.855 1.00 0.00 N ATOM 161 CA PHE A 12 5.862 -3.443 -5.378 1.00 0.00 C ATOM 162 C PHE A 12 6.576 -4.511 -6.207 1.00 0.00 C ATOM 163 O PHE A 12 6.331 -4.578 -7.421 1.00 0.00 O ATOM 164 CB PHE A 12 4.333 -3.594 -5.492 1.00 0.00 C ATOM 165 CG PHE A 12 3.872 -4.737 -6.386 1.00 0.00 C ATOM 166 CD1 PHE A 12 3.841 -6.063 -5.893 1.00 0.00 C ATOM 167 CD2 PHE A 12 3.478 -4.479 -7.719 1.00 0.00 C ATOM 168 CE1 PHE A 12 3.417 -7.119 -6.727 1.00 0.00 C ATOM 169 CE2 PHE A 12 3.056 -5.537 -8.552 1.00 0.00 C ATOM 170 CZ PHE A 12 3.024 -6.857 -8.056 1.00 0.00 C ATOM 0 H PHE A 12 6.835 -2.139 -6.690 1.00 0.00 H new ATOM 0 HA PHE A 12 6.149 -3.564 -4.333 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.921 -3.742 -4.494 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.917 -2.662 -5.874 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.143 -6.267 -4.876 1.00 0.00 H new ATOM 0 HD2 PHE A 12 3.500 -3.469 -8.101 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.393 -8.130 -6.347 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.757 -5.336 -9.570 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.699 -7.666 -8.693 1.00 0.00 H new ATOM 180 N ASN A 13 7.431 -5.313 -5.548 1.00 0.00 N ATOM 181 CA ASN A 13 8.172 -6.367 -6.220 1.00 0.00 C ATOM 182 C ASN A 13 8.346 -7.551 -5.265 1.00 0.00 C ATOM 183 O ASN A 13 8.614 -7.316 -4.079 1.00 0.00 O ATOM 184 CB ASN A 13 9.564 -5.885 -6.634 1.00 0.00 C ATOM 185 CG ASN A 13 9.529 -5.232 -8.016 1.00 0.00 C ATOM 186 OD1 ASN A 13 9.504 -5.891 -9.042 1.00 0.00 O ATOM 187 ND2 ASN A 13 9.530 -3.902 -7.987 1.00 0.00 N ATOM 0 H ASN A 13 7.618 -5.242 -4.548 1.00 0.00 H new ATOM 0 HA ASN A 13 7.612 -6.658 -7.109 1.00 0.00 H new ATOM 0 HB2 ASN A 13 9.939 -5.172 -5.900 1.00 0.00 H new ATOM 0 HB3 ASN A 13 10.256 -6.727 -6.643 1.00 0.00 H new ATOM 0 HD21 ASN A 13 9.509 -3.373 -8.859 1.00 0.00 H new ATOM 0 HD22 ASN A 13 9.552 -3.411 -7.093 1.00 0.00 H new ATOM 194 N ALA A 14 8.191 -8.778 -5.794 1.00 0.00 N ATOM 195 CA ALA A 14 8.332 -9.983 -4.996 1.00 0.00 C ATOM 196 C ALA A 14 9.634 -10.692 -5.371 1.00 0.00 C ATOM 197 O ALA A 14 9.667 -11.930 -5.328 1.00 0.00 O ATOM 198 CB ALA A 14 7.201 -10.958 -5.333 1.00 0.00 C ATOM 0 H ALA A 14 7.968 -8.949 -6.774 1.00 0.00 H new ATOM 0 HA ALA A 14 8.316 -9.702 -3.943 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.309 -11.862 -4.733 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.241 -10.490 -5.116 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.247 -11.217 -6.391 1.00 0.00 H new ATOM 204 N ASP A 15 10.666 -9.906 -5.727 1.00 0.00 N ATOM 205 CA ASP A 15 11.957 -10.454 -6.106 1.00 0.00 C ATOM 206 C ASP A 15 13.062 -9.726 -5.337 1.00 0.00 C ATOM 207 O ASP A 15 13.839 -10.398 -4.645 1.00 0.00 O ATOM 208 CB ASP A 15 12.219 -10.264 -7.601 1.00 0.00 C ATOM 209 CG ASP A 15 10.974 -10.325 -8.488 1.00 0.00 C ATOM 210 OD1 ASP A 15 10.089 -9.459 -8.408 1.00 0.00 O ATOM 211 OD2 ASP A 15 10.930 -11.326 -9.300 1.00 0.00 O ATOM 0 H ASP A 15 10.619 -8.888 -5.756 1.00 0.00 H new ATOM 0 HA ASP A 15 11.952 -11.519 -5.873 1.00 0.00 H new ATOM 0 HB2 ASP A 15 12.706 -9.300 -7.750 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.920 -11.030 -7.932 1.00 0.00 H new ATOM 216 N LYS A 16 13.107 -8.388 -5.470 1.00 0.00 N ATOM 217 CA LYS A 16 14.107 -7.581 -4.791 1.00 0.00 C ATOM 218 C LYS A 16 13.980 -7.782 -3.281 1.00 0.00 C ATOM 219 O LYS A 16 14.950 -8.249 -2.665 1.00 0.00 O ATOM 220 CB LYS A 16 13.999 -6.118 -5.227 1.00 0.00 C ATOM 221 CG LYS A 16 12.687 -5.863 -5.973 1.00 0.00 C ATOM 222 CD LYS A 16 12.752 -6.405 -7.401 1.00 0.00 C ATOM 223 CE LYS A 16 12.515 -5.290 -8.422 1.00 0.00 C ATOM 224 NZ LYS A 16 13.793 -4.682 -8.827 1.00 0.00 N ATOM 0 H LYS A 16 12.456 -7.853 -6.045 1.00 0.00 H new ATOM 0 HA LYS A 16 15.110 -7.902 -5.072 1.00 0.00 H new ATOM 0 HB2 LYS A 16 14.056 -5.469 -4.353 1.00 0.00 H new ATOM 0 HB3 LYS A 16 14.842 -5.863 -5.869 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.863 -6.336 -5.438 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.480 -4.793 -5.996 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.726 -6.862 -7.576 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.004 -7.187 -7.531 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.004 -5.692 -9.296 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.863 -4.529 -7.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.614 -3.927 -9.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.266 -4.281 -7.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.403 -5.408 -9.255 1.00 0.00 H new ATOM 238 N GLY A 17 12.808 -7.433 -2.722 1.00 0.00 N ATOM 239 CA GLY A 17 12.560 -7.574 -1.297 1.00 0.00 C ATOM 240 C GLY A 17 11.303 -6.786 -0.921 1.00 0.00 C ATOM 241 O GLY A 17 11.418 -5.839 -0.129 1.00 0.00 O ATOM 0 H GLY A 17 12.022 -7.051 -3.247 1.00 0.00 H new ATOM 0 HA2 GLY A 17 12.434 -8.626 -1.041 1.00 0.00 H new ATOM 0 HA3 GLY A 17 13.416 -7.208 -0.729 1.00 0.00 H new ATOM 245 N PHE A 18 10.151 -7.185 -1.486 1.00 0.00 N ATOM 246 CA PHE A 18 8.889 -6.521 -1.211 1.00 0.00 C ATOM 247 C PHE A 18 8.877 -5.153 -1.897 1.00 0.00 C ATOM 248 O PHE A 18 9.662 -4.958 -2.837 1.00 0.00 O ATOM 249 CB PHE A 18 8.715 -6.370 0.312 1.00 0.00 C ATOM 250 CG PHE A 18 9.362 -7.474 1.138 1.00 0.00 C ATOM 251 CD1 PHE A 18 9.367 -8.804 0.659 1.00 0.00 C ATOM 252 CD2 PHE A 18 9.966 -7.177 2.381 1.00 0.00 C ATOM 253 CE1 PHE A 18 9.969 -9.830 1.420 1.00 0.00 C ATOM 254 CE2 PHE A 18 10.569 -8.203 3.141 1.00 0.00 C ATOM 255 CZ PHE A 18 10.569 -9.529 2.660 1.00 0.00 C ATOM 0 H PHE A 18 10.080 -7.968 -2.136 1.00 0.00 H new ATOM 0 HA PHE A 18 8.061 -7.113 -1.600 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.134 -5.412 0.619 1.00 0.00 H new ATOM 0 HB3 PHE A 18 7.650 -6.340 0.541 1.00 0.00 H new ATOM 0 HD1 PHE A 18 8.909 -9.036 -0.291 1.00 0.00 H new ATOM 0 HD2 PHE A 18 9.966 -6.162 2.751 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.970 -10.845 1.052 1.00 0.00 H new ATOM 0 HE2 PHE A 18 11.030 -7.973 4.090 1.00 0.00 H new ATOM 0 HZ PHE A 18 11.029 -10.314 3.242 1.00 0.00 H new ATOM 265 N GLY A 19 8.003 -4.249 -1.422 1.00 0.00 N ATOM 266 CA GLY A 19 7.893 -2.913 -1.985 1.00 0.00 C ATOM 267 C GLY A 19 7.455 -1.937 -0.892 1.00 0.00 C ATOM 268 O GLY A 19 7.306 -2.370 0.260 1.00 0.00 O ATOM 0 H GLY A 19 7.365 -4.430 -0.647 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.850 -2.602 -2.403 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.172 -2.909 -2.802 1.00 0.00 H new ATOM 272 N PHE A 20 7.264 -0.659 -1.266 1.00 0.00 N ATOM 273 CA PHE A 20 6.850 0.365 -0.323 1.00 0.00 C ATOM 274 C PHE A 20 5.462 0.880 -0.713 1.00 0.00 C ATOM 275 O PHE A 20 5.207 1.031 -1.918 1.00 0.00 O ATOM 276 CB PHE A 20 7.880 1.511 -0.333 1.00 0.00 C ATOM 277 CG PHE A 20 9.120 1.258 0.516 1.00 0.00 C ATOM 278 CD1 PHE A 20 9.829 0.040 0.399 1.00 0.00 C ATOM 279 CD2 PHE A 20 9.563 2.240 1.432 1.00 0.00 C ATOM 280 CE1 PHE A 20 10.974 -0.193 1.189 1.00 0.00 C ATOM 281 CE2 PHE A 20 10.708 2.006 2.222 1.00 0.00 C ATOM 282 CZ PHE A 20 11.414 0.789 2.101 1.00 0.00 C ATOM 0 H PHE A 20 7.393 -0.322 -2.220 1.00 0.00 H new ATOM 0 HA PHE A 20 6.798 -0.050 0.684 1.00 0.00 H new ATOM 0 HB2 PHE A 20 8.191 1.693 -1.362 1.00 0.00 H new ATOM 0 HB3 PHE A 20 7.394 2.421 0.019 1.00 0.00 H new ATOM 0 HD1 PHE A 20 9.493 -0.714 -0.297 1.00 0.00 H new ATOM 0 HD2 PHE A 20 9.024 3.171 1.527 1.00 0.00 H new ATOM 0 HE1 PHE A 20 11.514 -1.124 1.096 1.00 0.00 H new ATOM 0 HE2 PHE A 20 11.045 2.758 2.920 1.00 0.00 H new ATOM 0 HZ PHE A 20 12.290 0.610 2.706 1.00 0.00 H new ATOM 292 N ILE A 21 4.609 1.133 0.294 1.00 0.00 N ATOM 293 CA ILE A 21 3.262 1.626 0.057 1.00 0.00 C ATOM 294 C ILE A 21 3.236 3.143 0.253 1.00 0.00 C ATOM 295 O ILE A 21 4.187 3.677 0.843 1.00 0.00 O ATOM 296 CB ILE A 21 2.255 0.876 0.932 1.00 0.00 C ATOM 297 CG1 ILE A 21 2.007 -0.536 0.393 1.00 0.00 C ATOM 298 CG2 ILE A 21 0.957 1.670 1.078 1.00 0.00 C ATOM 299 CD1 ILE A 21 0.659 -1.077 0.877 1.00 0.00 C ATOM 0 H ILE A 21 4.839 1.000 1.279 1.00 0.00 H new ATOM 0 HA ILE A 21 2.962 1.432 -0.973 1.00 0.00 H new ATOM 0 HB ILE A 21 2.680 0.770 1.930 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.028 -0.522 -0.697 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.808 -1.200 0.719 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.259 1.114 1.704 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.170 2.634 1.539 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.515 1.828 0.094 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.506 -2.081 0.481 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.651 -1.112 1.966 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.141 -0.424 0.529 1.00 0.00 H new ATOM 311 N THR A 22 2.166 3.795 -0.235 1.00 0.00 N ATOM 312 CA THR A 22 2.021 5.236 -0.113 1.00 0.00 C ATOM 313 C THR A 22 0.676 5.555 0.545 1.00 0.00 C ATOM 314 O THR A 22 -0.315 5.706 -0.183 1.00 0.00 O ATOM 315 CB THR A 22 2.182 5.862 -1.500 1.00 0.00 C ATOM 316 OG1 THR A 22 3.535 6.311 -1.523 1.00 0.00 O ATOM 317 CG2 THR A 22 1.361 7.142 -1.663 1.00 0.00 C ATOM 0 H THR A 22 1.393 3.336 -0.717 1.00 0.00 H new ATOM 0 HA THR A 22 2.792 5.664 0.528 1.00 0.00 H new ATOM 0 HB THR A 22 1.884 5.141 -2.261 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.583 7.181 -1.971 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.511 7.545 -2.664 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.304 6.918 -1.517 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.682 7.876 -0.924 1.00 0.00 H new ATOM 325 N PRO A 23 0.670 5.648 1.886 1.00 0.00 N ATOM 326 CA PRO A 23 -0.520 5.945 2.665 1.00 0.00 C ATOM 327 C PRO A 23 -0.894 7.424 2.554 1.00 0.00 C ATOM 328 O PRO A 23 0.020 8.262 2.533 1.00 0.00 O ATOM 329 CB PRO A 23 -0.179 5.523 4.084 1.00 0.00 C ATOM 330 CG PRO A 23 1.338 5.441 4.140 1.00 0.00 C ATOM 331 CD PRO A 23 1.860 5.463 2.713 1.00 0.00 C ATOM 0 HA PRO A 23 -1.400 5.411 2.307 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -0.558 6.244 4.808 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -0.632 4.561 4.325 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.745 6.278 4.708 1.00 0.00 H new ATOM 0 HG3 PRO A 23 1.652 4.529 4.647 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.575 6.273 2.565 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.374 4.534 2.465 1.00 0.00 H new ATOM 339 N ASP A 24 -2.206 7.711 2.485 1.00 0.00 N ATOM 340 CA ASP A 24 -2.692 9.076 2.379 1.00 0.00 C ATOM 341 C ASP A 24 -2.206 9.882 3.586 1.00 0.00 C ATOM 342 O ASP A 24 -1.096 10.430 3.522 1.00 0.00 O ATOM 343 CB ASP A 24 -4.220 9.117 2.365 1.00 0.00 C ATOM 344 CG ASP A 24 -4.903 8.119 3.302 1.00 0.00 C ATOM 345 OD1 ASP A 24 -4.582 6.922 3.303 1.00 0.00 O ATOM 346 OD2 ASP A 24 -5.813 8.622 4.066 1.00 0.00 O ATOM 0 H ASP A 24 -2.942 7.005 2.502 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.313 9.498 1.448 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.544 10.123 2.632 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.564 8.931 1.348 1.00 0.00 H new ATOM 351 N ASP A 25 -3.035 9.936 4.644 1.00 0.00 N ATOM 352 CA ASP A 25 -2.693 10.668 5.852 1.00 0.00 C ATOM 353 C ASP A 25 -1.988 11.972 5.472 1.00 0.00 C ATOM 354 O ASP A 25 -2.680 12.921 5.074 1.00 0.00 O ATOM 355 CB ASP A 25 -1.742 9.858 6.737 1.00 0.00 C ATOM 356 CG ASP A 25 -2.291 8.512 7.213 1.00 0.00 C ATOM 357 OD1 ASP A 25 -3.338 8.586 7.962 1.00 0.00 O ATOM 358 OD2 ASP A 25 -1.745 7.447 6.885 1.00 0.00 O ATOM 0 H ASP A 25 -3.945 9.477 4.676 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.615 10.865 6.398 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.818 9.682 6.186 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.483 10.457 7.610 1.00 0.00 H new ATOM 363 N GLY A 26 -0.649 11.993 5.598 1.00 0.00 N ATOM 364 CA GLY A 26 0.137 13.170 5.270 1.00 0.00 C ATOM 365 C GLY A 26 1.416 12.738 4.548 1.00 0.00 C ATOM 366 O GLY A 26 2.468 13.342 4.802 1.00 0.00 O ATOM 0 H GLY A 26 -0.098 11.200 5.927 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.442 13.843 4.638 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.386 13.720 6.178 1.00 0.00 H new ATOM 370 N SER A 27 1.302 11.718 3.679 1.00 0.00 N ATOM 371 CA SER A 27 2.441 11.214 2.931 1.00 0.00 C ATOM 372 C SER A 27 3.103 10.082 3.719 1.00 0.00 C ATOM 373 O SER A 27 2.440 9.507 4.595 1.00 0.00 O ATOM 374 CB SER A 27 3.455 12.322 2.640 1.00 0.00 C ATOM 375 OG SER A 27 4.476 12.385 3.632 1.00 0.00 O ATOM 0 H SER A 27 0.426 11.233 3.485 1.00 0.00 H new ATOM 0 HA SER A 27 2.085 10.836 1.973 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.908 12.151 1.664 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.939 13.281 2.589 1.00 0.00 H new ATOM 0 HG SER A 27 4.092 12.697 4.478 1.00 0.00 H new ATOM 381 N LYS A 28 4.375 9.788 3.397 1.00 0.00 N ATOM 382 CA LYS A 28 5.116 8.735 4.071 1.00 0.00 C ATOM 383 C LYS A 28 5.017 7.446 3.254 1.00 0.00 C ATOM 384 O LYS A 28 4.427 7.482 2.163 1.00 0.00 O ATOM 385 CB LYS A 28 4.638 8.585 5.517 1.00 0.00 C ATOM 386 CG LYS A 28 5.771 8.091 6.419 1.00 0.00 C ATOM 387 CD LYS A 28 5.242 7.135 7.490 1.00 0.00 C ATOM 388 CE LYS A 28 6.110 7.189 8.750 1.00 0.00 C ATOM 389 NZ LYS A 28 6.331 5.834 9.282 1.00 0.00 N ATOM 0 H LYS A 28 4.903 10.273 2.671 1.00 0.00 H new ATOM 0 HA LYS A 28 6.173 8.993 4.134 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.268 9.543 5.883 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.804 7.884 5.558 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.526 7.586 5.817 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.259 8.942 6.895 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.214 7.397 7.741 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.226 6.118 7.099 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.067 7.656 8.519 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.627 7.808 9.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.921 5.889 10.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.416 5.401 9.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.812 5.254 8.565 1.00 0.00 H new ATOM 403 N ASP A 29 5.585 6.349 3.787 1.00 0.00 N ATOM 404 CA ASP A 29 5.561 5.063 3.113 1.00 0.00 C ATOM 405 C ASP A 29 5.820 3.952 4.132 1.00 0.00 C ATOM 406 O ASP A 29 6.420 4.239 5.177 1.00 0.00 O ATOM 407 CB ASP A 29 6.649 4.983 2.039 1.00 0.00 C ATOM 408 CG ASP A 29 8.037 5.440 2.490 1.00 0.00 C ATOM 409 OD1 ASP A 29 8.663 4.609 3.253 1.00 0.00 O ATOM 410 OD2 ASP A 29 8.497 6.534 2.131 1.00 0.00 O ATOM 0 H ASP A 29 6.065 6.340 4.687 1.00 0.00 H new ATOM 0 HA ASP A 29 4.583 4.946 2.645 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.718 3.953 1.689 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.342 5.589 1.187 1.00 0.00 H new ATOM 415 N VAL A 30 5.369 2.725 3.813 1.00 0.00 N ATOM 416 CA VAL A 30 5.551 1.585 4.694 1.00 0.00 C ATOM 417 C VAL A 30 6.098 0.405 3.889 1.00 0.00 C ATOM 418 O VAL A 30 5.825 0.338 2.682 1.00 0.00 O ATOM 419 CB VAL A 30 4.237 1.261 5.410 1.00 0.00 C ATOM 420 CG1 VAL A 30 4.328 1.597 6.900 1.00 0.00 C ATOM 421 CG2 VAL A 30 3.063 1.989 4.754 1.00 0.00 C ATOM 0 H VAL A 30 4.876 2.510 2.946 1.00 0.00 H new ATOM 0 HA VAL A 30 6.281 1.816 5.470 1.00 0.00 H new ATOM 0 HB VAL A 30 4.060 0.189 5.319 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.382 1.358 7.385 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.128 1.014 7.356 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.539 2.659 7.021 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.141 1.742 5.281 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.230 3.065 4.800 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.979 1.679 3.712 1.00 0.00 H new ATOM 431 N PHE A 31 6.848 -0.487 4.561 1.00 0.00 N ATOM 432 CA PHE A 31 7.428 -1.651 3.912 1.00 0.00 C ATOM 433 C PHE A 31 6.443 -2.820 4.000 1.00 0.00 C ATOM 434 O PHE A 31 5.983 -3.121 5.111 1.00 0.00 O ATOM 435 CB PHE A 31 8.760 -2.005 4.600 1.00 0.00 C ATOM 436 CG PHE A 31 8.629 -2.940 5.795 1.00 0.00 C ATOM 437 CD1 PHE A 31 8.308 -4.302 5.597 1.00 0.00 C ATOM 438 CD2 PHE A 31 8.834 -2.454 7.107 1.00 0.00 C ATOM 439 CE1 PHE A 31 8.191 -5.171 6.703 1.00 0.00 C ATOM 440 CE2 PHE A 31 8.717 -3.325 8.212 1.00 0.00 C ATOM 441 CZ PHE A 31 8.394 -4.683 8.010 1.00 0.00 C ATOM 0 H PHE A 31 7.060 -0.413 5.556 1.00 0.00 H new ATOM 0 HA PHE A 31 7.624 -1.438 2.861 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.421 -2.466 3.866 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.240 -1.083 4.928 1.00 0.00 H new ATOM 0 HD1 PHE A 31 8.152 -4.679 4.597 1.00 0.00 H new ATOM 0 HD2 PHE A 31 9.081 -1.414 7.264 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.946 -6.211 6.548 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.875 -2.951 9.213 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.302 -5.348 8.856 1.00 0.00 H new ATOM 451 N VAL A 32 6.147 -3.445 2.846 1.00 0.00 N ATOM 452 CA VAL A 32 5.227 -4.569 2.794 1.00 0.00 C ATOM 453 C VAL A 32 5.457 -5.350 1.499 1.00 0.00 C ATOM 454 O VAL A 32 6.016 -4.775 0.554 1.00 0.00 O ATOM 455 CB VAL A 32 3.787 -4.074 2.945 1.00 0.00 C ATOM 456 CG1 VAL A 32 3.591 -2.733 2.236 1.00 0.00 C ATOM 457 CG2 VAL A 32 2.792 -5.117 2.432 1.00 0.00 C ATOM 0 H VAL A 32 6.538 -3.181 1.942 1.00 0.00 H new ATOM 0 HA VAL A 32 5.411 -5.252 3.623 1.00 0.00 H new ATOM 0 HB VAL A 32 3.595 -3.922 4.007 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.559 -2.404 2.359 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.262 -1.991 2.668 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.812 -2.847 1.175 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.776 -4.740 2.551 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.984 -5.316 1.378 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.906 -6.039 3.002 1.00 0.00 H new ATOM 467 N HIS A 33 5.030 -6.625 1.481 1.00 0.00 N ATOM 468 CA HIS A 33 5.189 -7.475 0.313 1.00 0.00 C ATOM 469 C HIS A 33 3.820 -7.717 -0.326 1.00 0.00 C ATOM 470 O HIS A 33 2.917 -6.893 -0.117 1.00 0.00 O ATOM 471 CB HIS A 33 5.912 -8.774 0.675 1.00 0.00 C ATOM 472 CG HIS A 33 5.383 -9.445 1.920 1.00 0.00 C ATOM 473 ND1 HIS A 33 4.036 -9.484 2.236 1.00 0.00 N ATOM 474 CD2 HIS A 33 6.034 -10.102 2.923 1.00 0.00 C ATOM 475 CE1 HIS A 33 3.894 -10.137 3.381 1.00 0.00 C ATOM 476 NE2 HIS A 33 5.133 -10.519 3.804 1.00 0.00 N ATOM 0 H HIS A 33 4.572 -7.080 2.271 1.00 0.00 H new ATOM 0 HA HIS A 33 5.818 -6.975 -0.424 1.00 0.00 H new ATOM 0 HB2 HIS A 33 5.831 -9.468 -0.162 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.972 -8.562 0.812 1.00 0.00 H new ATOM 0 HD2 HIS A 33 7.101 -10.256 2.989 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.961 -10.332 3.889 1.00 0.00 H new ATOM 0 HE2 HIS A 33 5.334 -11.040 4.658 1.00 0.00 H new ATOM 484 N PHE A 34 3.695 -8.823 -1.081 1.00 0.00 N ATOM 485 CA PHE A 34 2.447 -9.167 -1.742 1.00 0.00 C ATOM 486 C PHE A 34 1.936 -10.500 -1.195 1.00 0.00 C ATOM 487 O PHE A 34 1.166 -11.170 -1.899 1.00 0.00 O ATOM 488 CB PHE A 34 2.687 -9.256 -3.262 1.00 0.00 C ATOM 489 CG PHE A 34 3.322 -10.559 -3.730 1.00 0.00 C ATOM 490 CD1 PHE A 34 4.567 -10.976 -3.206 1.00 0.00 C ATOM 491 CD2 PHE A 34 2.669 -11.357 -4.698 1.00 0.00 C ATOM 492 CE1 PHE A 34 5.155 -12.181 -3.647 1.00 0.00 C ATOM 493 CE2 PHE A 34 3.256 -12.563 -5.136 1.00 0.00 C ATOM 494 CZ PHE A 34 4.498 -12.975 -4.610 1.00 0.00 C ATOM 0 H PHE A 34 4.451 -9.488 -1.242 1.00 0.00 H new ATOM 0 HA PHE A 34 1.695 -8.401 -1.550 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.734 -9.127 -3.775 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.326 -8.427 -3.564 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.070 -10.371 -2.466 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.719 -11.042 -5.103 1.00 0.00 H new ATOM 0 HE1 PHE A 34 6.108 -12.495 -3.247 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.754 -13.171 -5.874 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.946 -13.899 -4.945 1.00 0.00 H new ATOM 504 N SER A 35 2.364 -10.853 0.030 1.00 0.00 N ATOM 505 CA SER A 35 1.951 -12.094 0.663 1.00 0.00 C ATOM 506 C SER A 35 0.816 -11.806 1.646 1.00 0.00 C ATOM 507 O SER A 35 0.119 -12.756 2.035 1.00 0.00 O ATOM 508 CB SER A 35 3.120 -12.769 1.385 1.00 0.00 C ATOM 509 OG SER A 35 2.679 -13.573 2.477 1.00 0.00 O ATOM 0 H SER A 35 2.998 -10.286 0.594 1.00 0.00 H new ATOM 0 HA SER A 35 1.603 -12.779 -0.110 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.674 -13.388 0.679 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.809 -12.008 1.750 1.00 0.00 H new ATOM 0 HG SER A 35 3.453 -13.988 2.911 1.00 0.00 H new ATOM 515 N ALA A 36 0.653 -10.525 2.023 1.00 0.00 N ATOM 516 CA ALA A 36 -0.390 -10.122 2.951 1.00 0.00 C ATOM 517 C ALA A 36 -1.611 -9.645 2.161 1.00 0.00 C ATOM 518 O ALA A 36 -2.492 -9.013 2.764 1.00 0.00 O ATOM 519 CB ALA A 36 0.088 -8.920 3.770 1.00 0.00 C ATOM 0 H ALA A 36 1.238 -9.758 1.692 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.630 -10.970 3.592 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.695 -8.619 4.466 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.984 -9.193 4.328 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.317 -8.091 3.100 1.00 0.00 H new ATOM 525 N ILE A 37 -1.640 -9.952 0.853 1.00 0.00 N ATOM 526 CA ILE A 37 -2.744 -9.557 -0.006 1.00 0.00 C ATOM 527 C ILE A 37 -3.973 -10.406 0.328 1.00 0.00 C ATOM 528 O ILE A 37 -3.877 -11.255 1.226 1.00 0.00 O ATOM 529 CB ILE A 37 -2.329 -9.628 -1.477 1.00 0.00 C ATOM 530 CG1 ILE A 37 -1.911 -11.048 -1.861 1.00 0.00 C ATOM 531 CG2 ILE A 37 -1.236 -8.604 -1.789 1.00 0.00 C ATOM 532 CD1 ILE A 37 -3.108 -11.858 -2.358 1.00 0.00 C ATOM 0 H ILE A 37 -0.905 -10.474 0.377 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.015 -8.517 0.175 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.194 -9.371 -2.088 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.147 -11.008 -2.638 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.464 -11.545 -1.000 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.960 -8.676 -2.841 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.607 -7.601 -1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.362 -8.805 -1.170 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.782 -12.863 -2.624 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.860 -11.917 -1.571 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.538 -11.372 -3.234 1.00 0.00 H new ATOM 544 N GLN A 38 -5.084 -10.164 -0.389 1.00 0.00 N ATOM 545 CA GLN A 38 -6.318 -10.900 -0.171 1.00 0.00 C ATOM 546 C GLN A 38 -6.834 -11.431 -1.510 1.00 0.00 C ATOM 547 O GLN A 38 -7.723 -10.794 -2.093 1.00 0.00 O ATOM 548 CB GLN A 38 -7.373 -10.036 0.521 1.00 0.00 C ATOM 549 CG GLN A 38 -7.155 -10.011 2.035 1.00 0.00 C ATOM 550 CD GLN A 38 -5.737 -9.552 2.378 1.00 0.00 C ATOM 551 OE1 GLN A 38 -5.361 -8.443 1.747 1.00 0.00 O flip ATOM 552 NE2 GLN A 38 -5.032 -10.163 3.164 1.00 0.00 N flip ATOM 0 H GLN A 38 -5.141 -9.460 -1.124 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.112 -11.740 0.493 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.332 -9.020 0.127 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.368 -10.423 0.300 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.880 -9.342 2.499 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.329 -11.005 2.447 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.384 -11.008 3.614 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.091 -9.829 3.371 1.00 0.00 H new ATOM 561 N ASN A 39 -6.276 -12.568 -1.963 1.00 0.00 N ATOM 562 CA ASN A 39 -6.678 -13.175 -3.220 1.00 0.00 C ATOM 563 C ASN A 39 -6.061 -14.572 -3.328 1.00 0.00 C ATOM 564 O ASN A 39 -5.014 -14.802 -2.706 1.00 0.00 O ATOM 565 CB ASN A 39 -6.190 -12.348 -4.411 1.00 0.00 C ATOM 566 CG ASN A 39 -7.169 -12.448 -5.584 1.00 0.00 C ATOM 567 OD1 ASN A 39 -8.371 -12.552 -5.416 1.00 0.00 O ATOM 568 ND2 ASN A 39 -6.586 -12.409 -6.779 1.00 0.00 N ATOM 0 H ASN A 39 -5.544 -13.077 -1.467 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.767 -13.225 -3.238 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.078 -11.305 -4.113 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.206 -12.698 -4.723 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.153 -12.468 -7.625 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.572 -12.321 -6.849 1.00 0.00 H new ATOM 575 N ASP A 40 -6.709 -15.458 -4.102 1.00 0.00 N ATOM 576 CA ASP A 40 -6.227 -16.816 -4.289 1.00 0.00 C ATOM 577 C ASP A 40 -6.115 -17.113 -5.785 1.00 0.00 C ATOM 578 O ASP A 40 -7.109 -17.562 -6.373 1.00 0.00 O ATOM 579 CB ASP A 40 -7.193 -17.832 -3.676 1.00 0.00 C ATOM 580 CG ASP A 40 -6.687 -19.276 -3.659 1.00 0.00 C ATOM 581 OD1 ASP A 40 -5.610 -19.468 -2.974 1.00 0.00 O ATOM 582 OD2 ASP A 40 -7.290 -20.172 -4.267 1.00 0.00 O ATOM 0 H ASP A 40 -7.570 -15.247 -4.606 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.257 -16.899 -3.799 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -7.415 -17.528 -2.653 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.132 -17.798 -4.229 1.00 0.00 H new ATOM 587 N GLY A 41 -4.927 -16.859 -6.362 1.00 0.00 N ATOM 588 CA GLY A 41 -4.690 -17.097 -7.775 1.00 0.00 C ATOM 589 C GLY A 41 -3.643 -16.104 -8.288 1.00 0.00 C ATOM 590 O GLY A 41 -2.454 -16.299 -7.995 1.00 0.00 O ATOM 0 H GLY A 41 -4.121 -16.488 -5.859 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.345 -18.119 -7.930 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.619 -16.985 -8.335 1.00 0.00 H new ATOM 594 N TYR A 42 -4.099 -15.079 -9.029 1.00 0.00 N ATOM 595 CA TYR A 42 -3.155 -14.105 -9.549 1.00 0.00 C ATOM 596 C TYR A 42 -2.561 -13.307 -8.387 1.00 0.00 C ATOM 597 O TYR A 42 -3.088 -12.223 -8.095 1.00 0.00 O ATOM 598 CB TYR A 42 -3.849 -13.190 -10.576 1.00 0.00 C ATOM 599 CG TYR A 42 -2.937 -12.157 -11.220 1.00 0.00 C ATOM 600 CD1 TYR A 42 -1.571 -12.448 -11.443 1.00 0.00 C ATOM 601 CD2 TYR A 42 -3.452 -10.895 -11.594 1.00 0.00 C ATOM 602 CE1 TYR A 42 -0.729 -11.484 -12.037 1.00 0.00 C ATOM 603 CE2 TYR A 42 -2.609 -9.931 -12.189 1.00 0.00 C ATOM 604 CZ TYR A 42 -1.247 -10.224 -12.411 1.00 0.00 C ATOM 605 OH TYR A 42 -0.435 -9.289 -12.987 1.00 0.00 O ATOM 0 H TYR A 42 -5.077 -14.916 -9.268 1.00 0.00 H new ATOM 0 HA TYR A 42 -2.341 -14.614 -10.065 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -4.285 -13.810 -11.360 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -4.673 -12.672 -10.084 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.172 -13.410 -11.158 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -4.494 -10.667 -11.424 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.314 -11.710 -12.206 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -3.007 -8.969 -12.474 1.00 0.00 H new ATOM 0 HH TYR A 42 -0.954 -8.481 -13.182 1.00 0.00 H new ATOM 615 N LYS A 43 -1.504 -13.845 -7.754 1.00 0.00 N ATOM 616 CA LYS A 43 -0.861 -13.185 -6.630 1.00 0.00 C ATOM 617 C LYS A 43 0.038 -12.062 -7.150 1.00 0.00 C ATOM 618 O LYS A 43 1.243 -12.300 -7.320 1.00 0.00 O ATOM 619 CB LYS A 43 -0.127 -14.207 -5.759 1.00 0.00 C ATOM 620 CG LYS A 43 -0.861 -14.424 -4.433 1.00 0.00 C ATOM 621 CD LYS A 43 -2.223 -15.083 -4.664 1.00 0.00 C ATOM 622 CE LYS A 43 -2.260 -16.489 -4.062 1.00 0.00 C ATOM 623 NZ LYS A 43 -2.903 -16.465 -2.737 1.00 0.00 N ATOM 0 H LYS A 43 -1.084 -14.738 -8.011 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.606 -12.723 -5.982 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.045 -15.154 -6.293 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.889 -13.862 -5.565 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.257 -15.050 -3.776 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.996 -13.468 -3.927 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.007 -14.472 -4.218 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.429 -15.136 -5.733 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.805 -17.161 -4.725 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.246 -16.880 -3.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.458 -17.334 -2.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.174 -16.404 -1.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.532 -15.639 -2.671 1.00 0.00 H new ATOM 637 N SER A 44 -0.554 -10.878 -7.389 1.00 0.00 N ATOM 638 CA SER A 44 0.188 -9.731 -7.885 1.00 0.00 C ATOM 639 C SER A 44 -0.700 -8.487 -7.819 1.00 0.00 C ATOM 640 O SER A 44 -1.923 -8.627 -7.965 1.00 0.00 O ATOM 641 CB SER A 44 0.678 -9.958 -9.318 1.00 0.00 C ATOM 642 OG SER A 44 1.772 -10.869 -9.370 1.00 0.00 O ATOM 0 H SER A 44 -1.548 -10.702 -7.242 1.00 0.00 H new ATOM 0 HA SER A 44 1.067 -9.589 -7.256 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.142 -10.341 -9.925 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.979 -9.005 -9.754 1.00 0.00 H new ATOM 0 HG SER A 44 1.939 -11.231 -8.475 1.00 0.00 H new ATOM 648 N LEU A 45 -0.078 -7.314 -7.602 1.00 0.00 N ATOM 649 CA LEU A 45 -0.806 -6.060 -7.518 1.00 0.00 C ATOM 650 C LEU A 45 -0.409 -5.163 -8.693 1.00 0.00 C ATOM 651 O LEU A 45 0.148 -5.685 -9.670 1.00 0.00 O ATOM 652 CB LEU A 45 -0.595 -5.409 -6.149 1.00 0.00 C ATOM 653 CG LEU A 45 -1.045 -6.230 -4.940 1.00 0.00 C ATOM 654 CD1 LEU A 45 -0.913 -5.421 -3.647 1.00 0.00 C ATOM 655 CD2 LEU A 45 -2.464 -6.766 -5.137 1.00 0.00 C ATOM 0 H LEU A 45 0.931 -7.221 -7.483 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.878 -6.237 -7.600 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.465 -5.183 -6.036 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.127 -4.458 -6.135 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.385 -7.093 -4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.240 -6.028 -2.803 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.128 -5.131 -3.504 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.533 -4.527 -3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.759 -7.346 -4.262 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.153 -5.932 -5.268 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.493 -7.403 -6.021 1.00 0.00 H new ATOM 667 N ASP A 46 -0.699 -3.856 -8.577 1.00 0.00 N ATOM 668 CA ASP A 46 -0.375 -2.900 -9.622 1.00 0.00 C ATOM 669 C ASP A 46 0.307 -1.679 -8.997 1.00 0.00 C ATOM 670 O ASP A 46 -0.226 -1.146 -8.014 1.00 0.00 O ATOM 671 CB ASP A 46 -1.636 -2.420 -10.341 1.00 0.00 C ATOM 672 CG ASP A 46 -2.667 -3.512 -10.637 1.00 0.00 C ATOM 673 OD1 ASP A 46 -2.273 -4.426 -11.457 1.00 0.00 O ATOM 674 OD2 ASP A 46 -3.789 -3.490 -10.109 1.00 0.00 O ATOM 0 H ASP A 46 -1.159 -3.447 -7.763 1.00 0.00 H new ATOM 0 HA ASP A 46 0.282 -3.394 -10.338 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.110 -1.648 -9.735 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.344 -1.952 -11.281 1.00 0.00 H new ATOM 679 N GLU A 47 1.452 -1.271 -9.571 1.00 0.00 N ATOM 680 CA GLU A 47 2.196 -0.125 -9.074 1.00 0.00 C ATOM 681 C GLU A 47 1.335 1.132 -9.206 1.00 0.00 C ATOM 682 O GLU A 47 0.962 1.477 -10.336 1.00 0.00 O ATOM 683 CB GLU A 47 3.527 0.042 -9.809 1.00 0.00 C ATOM 684 CG GLU A 47 4.706 -0.282 -8.891 1.00 0.00 C ATOM 685 CD GLU A 47 5.967 0.465 -9.332 1.00 0.00 C ATOM 686 OE1 GLU A 47 5.885 1.635 -9.733 1.00 0.00 O ATOM 687 OE2 GLU A 47 7.061 -0.214 -9.246 1.00 0.00 O ATOM 0 H GLU A 47 1.874 -1.726 -10.380 1.00 0.00 H new ATOM 0 HA GLU A 47 2.433 -0.290 -8.023 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.550 -0.613 -10.680 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.618 1.064 -10.176 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.458 -0.010 -7.865 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.894 -1.356 -8.899 1.00 0.00 H new ATOM 694 N GLY A 48 1.039 1.782 -8.064 1.00 0.00 N ATOM 695 CA GLY A 48 0.230 2.989 -8.053 1.00 0.00 C ATOM 696 C GLY A 48 -1.250 2.604 -8.011 1.00 0.00 C ATOM 697 O GLY A 48 -1.950 2.848 -9.005 1.00 0.00 O ATOM 0 H GLY A 48 1.355 1.481 -7.142 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.483 3.602 -7.188 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.437 3.588 -8.940 1.00 0.00 H new ATOM 701 N GLN A 49 -1.690 2.021 -6.881 1.00 0.00 N ATOM 702 CA GLN A 49 -3.073 1.609 -6.716 1.00 0.00 C ATOM 703 C GLN A 49 -3.436 1.648 -5.230 1.00 0.00 C ATOM 704 O GLN A 49 -2.610 1.224 -4.409 1.00 0.00 O ATOM 705 CB GLN A 49 -3.318 0.217 -7.303 1.00 0.00 C ATOM 706 CG GLN A 49 -3.325 -0.848 -6.206 1.00 0.00 C ATOM 707 CD GLN A 49 -3.931 -2.158 -6.717 1.00 0.00 C ATOM 708 OE1 GLN A 49 -3.511 -2.716 -7.717 1.00 0.00 O ATOM 709 NE2 GLN A 49 -4.937 -2.612 -5.976 1.00 0.00 N ATOM 0 H GLN A 49 -1.097 1.829 -6.074 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.713 2.302 -7.263 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.271 0.205 -7.833 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.544 -0.014 -8.034 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.307 -1.025 -5.859 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.895 -0.489 -5.349 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.237 -2.093 -5.151 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.409 -3.479 -6.233 1.00 0.00 H new ATOM 718 N LYS A 50 -4.646 2.148 -4.919 1.00 0.00 N ATOM 719 CA LYS A 50 -5.112 2.240 -3.546 1.00 0.00 C ATOM 720 C LYS A 50 -5.362 0.833 -3.000 1.00 0.00 C ATOM 721 O LYS A 50 -6.111 0.078 -3.639 1.00 0.00 O ATOM 722 CB LYS A 50 -6.329 3.161 -3.453 1.00 0.00 C ATOM 723 CG LYS A 50 -6.393 3.852 -2.089 1.00 0.00 C ATOM 724 CD LYS A 50 -6.912 5.285 -2.224 1.00 0.00 C ATOM 725 CE LYS A 50 -6.907 5.999 -0.871 1.00 0.00 C ATOM 726 NZ LYS A 50 -5.555 5.989 -0.289 1.00 0.00 N ATOM 0 H LYS A 50 -5.312 2.492 -5.611 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.348 2.695 -2.915 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.283 3.911 -4.242 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.239 2.584 -3.615 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.044 3.287 -1.421 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.402 3.862 -1.635 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.292 5.835 -2.932 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.924 5.273 -2.629 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.249 7.027 -0.994 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.605 5.510 -0.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.520 6.643 0.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.323 5.028 0.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.866 6.289 -1.008 1.00 0.00 H new ATOM 740 N VAL A 51 -4.743 0.513 -1.850 1.00 0.00 N ATOM 741 CA VAL A 51 -4.899 -0.792 -1.228 1.00 0.00 C ATOM 742 C VAL A 51 -5.386 -0.611 0.211 1.00 0.00 C ATOM 743 O VAL A 51 -4.918 0.322 0.879 1.00 0.00 O ATOM 744 CB VAL A 51 -3.588 -1.575 -1.322 1.00 0.00 C ATOM 745 CG1 VAL A 51 -3.444 -2.241 -2.694 1.00 0.00 C ATOM 746 CG2 VAL A 51 -2.389 -0.676 -1.019 1.00 0.00 C ATOM 0 H VAL A 51 -4.131 1.150 -1.340 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.652 -1.379 -1.754 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.613 -2.363 -0.569 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.504 -2.791 -2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.274 -2.929 -2.853 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.451 -1.477 -3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.470 -1.258 -1.093 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.358 0.144 -1.737 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.483 -0.272 -0.011 1.00 0.00 H new ATOM 756 N SER A 52 -6.301 -1.492 0.651 1.00 0.00 N ATOM 757 CA SER A 52 -6.844 -1.430 1.998 1.00 0.00 C ATOM 758 C SER A 52 -5.911 -2.175 2.955 1.00 0.00 C ATOM 759 O SER A 52 -6.314 -3.228 3.471 1.00 0.00 O ATOM 760 CB SER A 52 -8.253 -2.023 2.061 1.00 0.00 C ATOM 761 OG SER A 52 -8.255 -3.425 1.809 1.00 0.00 O ATOM 0 H SER A 52 -6.674 -2.253 0.084 1.00 0.00 H new ATOM 0 HA SER A 52 -6.915 -0.384 2.295 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.683 -1.831 3.044 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.890 -1.523 1.331 1.00 0.00 H new ATOM 0 HG SER A 52 -7.619 -3.866 2.410 1.00 0.00 H new ATOM 767 N PHE A 53 -4.702 -1.625 3.166 1.00 0.00 N ATOM 768 CA PHE A 53 -3.724 -2.234 4.053 1.00 0.00 C ATOM 769 C PHE A 53 -4.159 -2.026 5.505 1.00 0.00 C ATOM 770 O PHE A 53 -5.332 -1.689 5.727 1.00 0.00 O ATOM 771 CB PHE A 53 -2.344 -1.597 3.800 1.00 0.00 C ATOM 772 CG PHE A 53 -2.217 -0.151 4.258 1.00 0.00 C ATOM 773 CD1 PHE A 53 -2.929 0.870 3.585 1.00 0.00 C ATOM 774 CD2 PHE A 53 -1.395 0.179 5.360 1.00 0.00 C ATOM 775 CE1 PHE A 53 -2.817 2.211 4.010 1.00 0.00 C ATOM 776 CE2 PHE A 53 -1.285 1.521 5.784 1.00 0.00 C ATOM 777 CZ PHE A 53 -1.995 2.537 5.110 1.00 0.00 C ATOM 0 H PHE A 53 -4.389 -0.758 2.729 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.656 -3.305 3.860 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.585 -2.193 4.308 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.126 -1.646 2.733 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.560 0.622 2.744 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.851 -0.597 5.878 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.361 2.988 3.493 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.656 1.770 6.626 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.910 3.563 5.436 1.00 0.00 H new ATOM 787 N THR A 54 -3.223 -2.226 6.449 1.00 0.00 N ATOM 788 CA THR A 54 -3.508 -2.062 7.864 1.00 0.00 C ATOM 789 C THR A 54 -2.199 -1.823 8.619 1.00 0.00 C ATOM 790 O THR A 54 -1.755 -2.732 9.336 1.00 0.00 O ATOM 791 CB THR A 54 -4.275 -3.292 8.354 1.00 0.00 C ATOM 792 OG1 THR A 54 -4.306 -3.140 9.771 1.00 0.00 O ATOM 793 CG2 THR A 54 -3.499 -4.592 8.137 1.00 0.00 C ATOM 0 H THR A 54 -2.263 -2.502 6.245 1.00 0.00 H new ATOM 0 HA THR A 54 -4.138 -1.192 8.047 1.00 0.00 H new ATOM 0 HB THR A 54 -5.233 -3.351 7.838 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.417 -3.325 10.139 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.089 -5.433 8.502 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.299 -4.723 7.074 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.555 -4.547 8.680 1.00 0.00 H new ATOM 801 N ILE A 55 -1.616 -0.623 8.447 1.00 0.00 N ATOM 802 CA ILE A 55 -0.369 -0.270 9.107 1.00 0.00 C ATOM 803 C ILE A 55 -0.211 -1.117 10.372 1.00 0.00 C ATOM 804 O ILE A 55 -1.130 -1.112 11.203 1.00 0.00 O ATOM 805 CB ILE A 55 -0.308 1.237 9.364 1.00 0.00 C ATOM 806 CG1 ILE A 55 0.738 1.903 8.466 1.00 0.00 C ATOM 807 CG2 ILE A 55 -0.062 1.531 10.845 1.00 0.00 C ATOM 808 CD1 ILE A 55 1.989 2.274 9.264 1.00 0.00 C ATOM 0 H ILE A 55 -1.998 0.113 7.853 1.00 0.00 H new ATOM 0 HA ILE A 55 0.481 -0.495 8.463 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.276 1.668 9.107 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.007 1.228 7.653 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.314 2.798 8.010 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.023 2.609 11.000 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.872 1.108 11.439 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.884 1.086 11.152 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.716 2.745 8.603 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.720 2.968 10.061 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.424 1.374 9.698 1.00 0.00 H new ATOM 820 N GLU A 56 0.934 -1.814 10.490 1.00 0.00 N ATOM 821 CA GLU A 56 1.207 -2.656 11.642 1.00 0.00 C ATOM 822 C GLU A 56 2.683 -2.526 12.025 1.00 0.00 C ATOM 823 O GLU A 56 3.361 -1.649 11.470 1.00 0.00 O ATOM 824 CB GLU A 56 0.836 -4.115 11.372 1.00 0.00 C ATOM 825 CG GLU A 56 -0.438 -4.505 12.125 1.00 0.00 C ATOM 826 CD GLU A 56 -0.842 -5.947 11.809 1.00 0.00 C ATOM 827 OE1 GLU A 56 0.029 -6.821 11.685 1.00 0.00 O ATOM 828 OE2 GLU A 56 -2.111 -6.145 11.696 1.00 0.00 O ATOM 0 H GLU A 56 1.679 -1.803 9.794 1.00 0.00 H new ATOM 0 HA GLU A 56 0.589 -2.321 12.475 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.691 -4.265 10.302 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.656 -4.765 11.677 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.279 -4.395 13.198 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.248 -3.828 11.852 1.00 0.00 H new ATOM 835 N SER A 57 3.144 -3.387 12.948 1.00 0.00 N ATOM 836 CA SER A 57 4.525 -3.370 13.398 1.00 0.00 C ATOM 837 C SER A 57 4.912 -4.761 13.900 1.00 0.00 C ATOM 838 O SER A 57 4.081 -5.404 14.558 1.00 0.00 O ATOM 839 CB SER A 57 4.742 -2.329 14.499 1.00 0.00 C ATOM 840 OG SER A 57 5.930 -1.570 14.289 1.00 0.00 O ATOM 0 H SER A 57 2.568 -4.102 13.392 1.00 0.00 H new ATOM 0 HA SER A 57 5.159 -3.094 12.556 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.884 -1.657 14.537 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.798 -2.830 15.466 1.00 0.00 H new ATOM 0 HG SER A 57 6.032 -0.916 15.011 1.00 0.00 H new ATOM 846 N GLY A 58 6.146 -5.193 13.584 1.00 0.00 N ATOM 847 CA GLY A 58 6.636 -6.497 14.000 1.00 0.00 C ATOM 848 C GLY A 58 7.905 -6.318 14.835 1.00 0.00 C ATOM 849 O GLY A 58 8.841 -7.112 14.664 1.00 0.00 O ATOM 0 H GLY A 58 6.815 -4.648 13.040 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.874 -7.016 14.582 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.846 -7.115 13.127 1.00 0.00 H new ATOM 853 N ALA A 59 7.912 -5.295 15.709 1.00 0.00 N ATOM 854 CA ALA A 59 9.055 -5.017 16.562 1.00 0.00 C ATOM 855 C ALA A 59 10.340 -5.136 15.738 1.00 0.00 C ATOM 856 O ALA A 59 11.303 -5.739 16.234 1.00 0.00 O ATOM 857 CB ALA A 59 9.149 -6.077 17.660 1.00 0.00 C ATOM 0 H ALA A 59 7.130 -4.652 15.834 1.00 0.00 H new ATOM 0 HA ALA A 59 8.937 -4.019 16.984 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.007 -5.865 18.298 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.239 -6.061 18.260 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.268 -7.061 17.207 1.00 0.00 H new ATOM 863 N LYS A 60 10.329 -4.569 14.519 1.00 0.00 N ATOM 864 CA LYS A 60 11.484 -4.612 13.640 1.00 0.00 C ATOM 865 C LYS A 60 11.207 -3.763 12.398 1.00 0.00 C ATOM 866 O LYS A 60 11.200 -4.319 11.290 1.00 0.00 O ATOM 867 CB LYS A 60 11.860 -6.061 13.321 1.00 0.00 C ATOM 868 CG LYS A 60 10.777 -6.738 12.480 1.00 0.00 C ATOM 869 CD LYS A 60 10.707 -8.237 12.779 1.00 0.00 C ATOM 870 CE LYS A 60 11.589 -9.031 11.815 1.00 0.00 C ATOM 871 NZ LYS A 60 13.014 -8.815 12.123 1.00 0.00 N ATOM 0 H LYS A 60 9.525 -4.077 14.130 1.00 0.00 H new ATOM 0 HA LYS A 60 12.355 -4.181 14.134 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.809 -6.084 12.785 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.004 -6.615 14.248 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.811 -6.277 12.686 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.985 -6.584 11.421 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.026 -8.422 13.805 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.675 -8.579 12.699 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.352 -10.093 11.886 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.382 -8.727 10.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.578 -9.587 11.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.323 -7.908 11.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.148 -8.798 13.154 1.00 0.00 H new ATOM 885 N GLY A 61 10.989 -2.452 12.602 1.00 0.00 N ATOM 886 CA GLY A 61 10.714 -1.536 11.508 1.00 0.00 C ATOM 887 C GLY A 61 9.200 -1.413 11.319 1.00 0.00 C ATOM 888 O GLY A 61 8.481 -2.349 11.699 1.00 0.00 O ATOM 0 H GLY A 61 11.000 -2.013 13.522 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.146 -0.558 11.720 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.178 -1.897 10.590 1.00 0.00 H new ATOM 892 N PRO A 62 8.755 -0.282 10.744 1.00 0.00 N ATOM 893 CA PRO A 62 7.350 -0.009 10.493 1.00 0.00 C ATOM 894 C PRO A 62 6.837 -0.822 9.302 1.00 0.00 C ATOM 895 O PRO A 62 7.231 -0.516 8.167 1.00 0.00 O ATOM 896 CB PRO A 62 7.275 1.493 10.264 1.00 0.00 C ATOM 897 CG PRO A 62 8.692 1.935 9.935 1.00 0.00 C ATOM 898 CD PRO A 62 9.633 0.800 10.309 1.00 0.00 C ATOM 0 HA PRO A 62 6.710 -0.304 11.324 1.00 0.00 H new ATOM 0 HB2 PRO A 62 6.592 1.730 9.448 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.902 2.005 11.151 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.782 2.172 8.875 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.947 2.840 10.486 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.244 0.496 9.459 1.00 0.00 H new ATOM 0 HD3 PRO A 62 10.317 1.098 11.103 1.00 0.00 H new ATOM 906 N ALA A 63 5.984 -1.823 9.579 1.00 0.00 N ATOM 907 CA ALA A 63 5.426 -2.669 8.538 1.00 0.00 C ATOM 908 C ALA A 63 3.986 -2.238 8.255 1.00 0.00 C ATOM 909 O ALA A 63 3.490 -1.341 8.953 1.00 0.00 O ATOM 910 CB ALA A 63 5.352 -4.115 9.034 1.00 0.00 C ATOM 0 H ALA A 63 5.672 -2.058 10.521 1.00 0.00 H new ATOM 0 HA ALA A 63 6.054 -2.585 7.651 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.933 -4.747 8.251 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.353 -4.465 9.286 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.717 -4.164 9.919 1.00 0.00 H new ATOM 916 N ALA A 64 3.353 -2.874 7.252 1.00 0.00 N ATOM 917 CA ALA A 64 1.983 -2.557 6.884 1.00 0.00 C ATOM 918 C ALA A 64 1.315 -3.807 6.305 1.00 0.00 C ATOM 919 O ALA A 64 1.600 -4.146 5.147 1.00 0.00 O ATOM 920 CB ALA A 64 1.980 -1.513 5.765 1.00 0.00 C ATOM 0 H ALA A 64 3.779 -3.610 6.688 1.00 0.00 H new ATOM 0 HA ALA A 64 1.462 -2.193 7.769 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.952 -1.277 5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.481 -0.608 6.110 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.505 -1.909 4.896 1.00 0.00 H new ATOM 926 N GLY A 65 0.454 -4.455 7.110 1.00 0.00 N ATOM 927 CA GLY A 65 -0.247 -5.654 6.681 1.00 0.00 C ATOM 928 C GLY A 65 -1.354 -5.268 5.698 1.00 0.00 C ATOM 929 O GLY A 65 -1.641 -4.069 5.574 1.00 0.00 O ATOM 0 H GLY A 65 0.234 -4.159 8.061 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.449 -6.347 6.209 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.673 -6.168 7.543 1.00 0.00 H new ATOM 933 N ASN A 66 -1.945 -6.276 5.030 1.00 0.00 N ATOM 934 CA ASN A 66 -3.009 -6.043 4.069 1.00 0.00 C ATOM 935 C ASN A 66 -2.478 -5.177 2.925 1.00 0.00 C ATOM 936 O ASN A 66 -2.142 -4.010 3.174 1.00 0.00 O ATOM 937 CB ASN A 66 -4.183 -5.303 4.715 1.00 0.00 C ATOM 938 CG ASN A 66 -5.063 -6.264 5.515 1.00 0.00 C ATOM 939 OD1 ASN A 66 -5.912 -5.659 6.342 1.00 0.00 O flip ATOM 940 ND2 ASN A 66 -4.980 -7.474 5.390 1.00 0.00 N flip ATOM 0 H ASN A 66 -1.694 -7.258 5.147 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.350 -7.012 3.703 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.806 -4.518 5.371 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.779 -4.815 3.944 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.306 -7.874 4.737 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.584 -8.086 5.938 1.00 0.00 H new ATOM 947 N VAL A 67 -2.412 -5.757 1.713 1.00 0.00 N ATOM 948 CA VAL A 67 -1.925 -5.044 0.544 1.00 0.00 C ATOM 949 C VAL A 67 -2.972 -5.123 -0.569 1.00 0.00 C ATOM 950 O VAL A 67 -2.675 -4.689 -1.691 1.00 0.00 O ATOM 951 CB VAL A 67 -0.562 -5.598 0.124 1.00 0.00 C ATOM 952 CG1 VAL A 67 0.498 -4.495 0.114 1.00 0.00 C ATOM 953 CG2 VAL A 67 -0.139 -6.758 1.027 1.00 0.00 C ATOM 0 H VAL A 67 -2.693 -6.720 1.529 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.775 -3.989 0.774 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.655 -5.982 -0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.457 -4.915 -0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.206 -3.716 -0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.587 -4.067 1.113 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.833 -7.133 0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.072 -6.411 2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.876 -7.558 0.961 1.00 0.00 H new ATOM 963 N THR A 68 -4.159 -5.666 -0.242 1.00 0.00 N ATOM 964 CA THR A 68 -5.236 -5.799 -1.207 1.00 0.00 C ATOM 965 C THR A 68 -5.743 -4.409 -1.593 1.00 0.00 C ATOM 966 O THR A 68 -5.375 -3.437 -0.917 1.00 0.00 O ATOM 967 CB THR A 68 -6.322 -6.696 -0.607 1.00 0.00 C ATOM 968 OG1 THR A 68 -7.345 -6.713 -1.598 1.00 0.00 O ATOM 969 CG2 THR A 68 -6.995 -6.064 0.613 1.00 0.00 C ATOM 0 H THR A 68 -4.385 -6.017 0.689 1.00 0.00 H new ATOM 0 HA THR A 68 -4.894 -6.273 -2.127 1.00 0.00 H new ATOM 0 HB THR A 68 -5.886 -7.655 -0.325 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.088 -7.274 -1.291 1.00 0.00 H new ATOM 0 HG21 THR A 68 -7.757 -6.741 1.000 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.248 -5.879 1.385 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.460 -5.121 0.324 1.00 0.00 H new ATOM 977 N SER A 69 -6.563 -4.341 -2.659 1.00 0.00 N ATOM 978 CA SER A 69 -7.112 -3.082 -3.128 1.00 0.00 C ATOM 979 C SER A 69 -7.998 -2.477 -2.037 1.00 0.00 C ATOM 980 O SER A 69 -8.439 -3.227 -1.153 1.00 0.00 O ATOM 981 CB SER A 69 -7.912 -3.265 -4.420 1.00 0.00 C ATOM 982 OG SER A 69 -8.329 -4.615 -4.601 1.00 0.00 O ATOM 0 H SER A 69 -6.853 -5.153 -3.204 1.00 0.00 H new ATOM 0 HA SER A 69 -6.286 -2.406 -3.347 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.787 -2.615 -4.400 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.304 -2.956 -5.270 1.00 0.00 H new ATOM 0 HG SER A 69 -8.838 -4.691 -5.435 1.00 0.00 H new ATOM 988 N LEU A 70 -8.239 -1.156 -2.118 1.00 0.00 N ATOM 989 CA LEU A 70 -9.064 -0.462 -1.144 1.00 0.00 C ATOM 990 C LEU A 70 -10.324 -1.286 -0.870 1.00 0.00 C ATOM 991 O LEU A 70 -10.832 -1.293 0.250 1.00 0.00 O ATOM 992 CB LEU A 70 -9.354 0.966 -1.608 1.00 0.00 C ATOM 993 CG LEU A 70 -9.404 1.184 -3.121 1.00 0.00 C ATOM 994 CD1 LEU A 70 -10.381 0.208 -3.783 1.00 0.00 C ATOM 995 CD2 LEU A 70 -9.734 2.639 -3.456 1.00 0.00 C ATOM 0 H LEU A 70 -7.867 -0.556 -2.855 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.533 -0.364 -0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.309 1.277 -1.185 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.591 1.624 -1.191 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.414 0.977 -3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.398 0.384 -4.859 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.061 -0.816 -3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.380 0.360 -3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.763 2.766 -4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.705 2.898 -3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.969 3.292 -3.035 1.00 0.00 H new