USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 677 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 5 MET CE :methyl -126:sc= -7.77! (180deg=-13.2!) USER MOD Set 1.2: A 70 THR OG1 : rot -81:sc= 0.992 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 128:sc= 0.0224 (180deg=-0.433) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -3.3 K(o=-3.3,f=-6.8!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 36:sc= 0.176 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 18 THR OG1 : rot -37:sc= -1.49! USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -130:sc= -0.912 USER MOD Single : A 29 LYS NZ :NH3+ 157:sc= -0.0426 (180deg=-0.284) USER MOD Single : A 30 GLN : amide:sc=-0.00245 K(o=-0.0024,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -89:sc= 0.577 USER MOD Single : A 36 THR OG1 : rot -67:sc= 0.475 USER MOD Single : A 43 GLN : amide:sc= -4.45 K(o=-4.5,f=-7.5!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -160:sc= -0.0892 (180deg=-0.452) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -122:sc= -0.277 (180deg=-1.67!) USER MOD Single : A 57 ASN : amide:sc= -0.412 K(o=-0.41,f=-1.2) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 168:sc=-0.00619 (180deg=-0.148) USER MOD Single : A 69 ASN : amide:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -148:sc= -0.268 (180deg=-1.69!) USER MOD Single : A 73 MET CE :methyl -166:sc= -0.0014 (180deg=-0.146) USER MOD Single : A 74 MET CE :methyl -133:sc= -0.0275 (180deg=-0.569) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 140:sc= -0.703 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.192 1.023 -0.794 1.00 0.00 N ATOM 2 CA MET A 1 1.578 -0.094 -1.648 1.00 0.00 C ATOM 3 C MET A 1 3.055 -0.431 -1.467 1.00 0.00 C ATOM 4 O MET A 1 3.740 0.167 -0.638 1.00 0.00 O ATOM 5 CB MET A 1 1.293 0.234 -3.114 1.00 0.00 C ATOM 6 CG MET A 1 2.118 1.394 -3.648 1.00 0.00 C ATOM 7 SD MET A 1 1.469 2.053 -5.196 1.00 0.00 S ATOM 8 CE MET A 1 2.242 3.669 -5.227 1.00 0.00 C ATOM 0 H1 MET A 1 0.718 1.750 -1.367 1.00 0.00 H new ATOM 0 H2 MET A 1 0.543 0.686 -0.055 1.00 0.00 H new ATOM 0 H3 MET A 1 2.040 1.430 -0.351 1.00 0.00 H new ATOM 0 HA MET A 1 0.987 -0.962 -1.357 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.489 -0.650 -3.721 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.235 0.469 -3.226 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.146 2.189 -2.902 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.146 1.064 -3.800 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.937 4.201 -6.128 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.934 4.237 -4.349 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.326 3.554 -5.223 1.00 0.00 H new ATOM 18 N ALA A 2 3.538 -1.392 -2.248 1.00 0.00 N ATOM 19 CA ALA A 2 4.933 -1.806 -2.175 1.00 0.00 C ATOM 20 C ALA A 2 5.828 -0.865 -2.974 1.00 0.00 C ATOM 21 O ALA A 2 5.532 -0.538 -4.124 1.00 0.00 O ATOM 22 CB ALA A 2 5.086 -3.235 -2.676 1.00 0.00 C ATOM 0 H ALA A 2 2.983 -1.898 -2.938 1.00 0.00 H new ATOM 0 HA ALA A 2 5.245 -1.763 -1.131 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.133 -3.531 -2.616 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.484 -3.903 -2.060 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.751 -3.295 -3.711 1.00 0.00 H new ATOM 28 N LEU A 3 6.922 -0.432 -2.358 1.00 0.00 N ATOM 29 CA LEU A 3 7.861 0.474 -3.012 1.00 0.00 C ATOM 30 C LEU A 3 9.270 -0.111 -3.014 1.00 0.00 C ATOM 31 O LEU A 3 9.740 -0.664 -2.020 1.00 0.00 O ATOM 32 CB LEU A 3 7.861 1.833 -2.310 1.00 0.00 C ATOM 33 CG LEU A 3 6.548 2.246 -1.645 1.00 0.00 C ATOM 34 CD1 LEU A 3 6.661 3.646 -1.063 1.00 0.00 C ATOM 35 CD2 LEU A 3 5.399 2.171 -2.640 1.00 0.00 C ATOM 0 H LEU A 3 7.181 -0.693 -1.407 1.00 0.00 H new ATOM 0 HA LEU A 3 7.541 0.606 -4.046 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.643 1.827 -1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.131 2.596 -3.040 1.00 0.00 H new ATOM 0 HG LEU A 3 6.342 1.552 -0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.717 3.922 -0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.456 3.667 -0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.891 4.354 -1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.472 2.468 -2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.598 2.841 -3.476 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.303 1.150 -3.008 1.00 0.00 H new ATOM 47 N PRO A 4 9.961 0.015 -4.157 1.00 0.00 N ATOM 48 CA PRO A 4 11.327 -0.492 -4.316 1.00 0.00 C ATOM 49 C PRO A 4 12.340 0.305 -3.500 1.00 0.00 C ATOM 50 O PRO A 4 12.746 1.398 -3.895 1.00 0.00 O ATOM 51 CB PRO A 4 11.596 -0.324 -5.813 1.00 0.00 C ATOM 52 CG PRO A 4 10.692 0.781 -6.239 1.00 0.00 C ATOM 53 CD PRO A 4 9.462 0.664 -5.382 1.00 0.00 C ATOM 0 HA PRO A 4 11.424 -1.519 -3.964 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.640 -0.076 -6.002 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.383 -1.243 -6.359 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.171 1.751 -6.104 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.441 0.694 -7.296 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.025 1.640 -5.170 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.689 0.067 -5.867 1.00 0.00 H new ATOM 61 N MET A 5 12.744 -0.249 -2.362 1.00 0.00 N ATOM 62 CA MET A 5 13.711 0.410 -1.492 1.00 0.00 C ATOM 63 C MET A 5 14.587 -0.614 -0.778 1.00 0.00 C ATOM 64 O MET A 5 14.259 -1.800 -0.732 1.00 0.00 O ATOM 65 CB MET A 5 12.991 1.287 -0.465 1.00 0.00 C ATOM 66 CG MET A 5 11.478 1.271 -0.608 1.00 0.00 C ATOM 67 SD MET A 5 10.667 2.477 0.461 1.00 0.00 S ATOM 68 CE MET A 5 10.200 3.727 -0.733 1.00 0.00 C ATOM 0 H MET A 5 12.417 -1.153 -2.021 1.00 0.00 H new ATOM 0 HA MET A 5 14.350 1.039 -2.112 1.00 0.00 H new ATOM 0 HB2 MET A 5 13.257 0.951 0.537 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.346 2.313 -0.562 1.00 0.00 H new ATOM 0 HG2 MET A 5 11.213 1.474 -1.645 1.00 0.00 H new ATOM 0 HG3 MET A 5 11.105 0.274 -0.373 1.00 0.00 H new ATOM 0 HE1 MET A 5 10.586 4.696 -0.416 1.00 0.00 H new ATOM 0 HE2 MET A 5 10.615 3.472 -1.708 1.00 0.00 H new ATOM 0 HE3 MET A 5 9.113 3.775 -0.803 1.00 0.00 H new ATOM 78 N ILE A 6 15.701 -0.149 -0.224 1.00 0.00 N ATOM 79 CA ILE A 6 16.623 -1.026 0.488 1.00 0.00 C ATOM 80 C ILE A 6 16.568 -0.777 1.991 1.00 0.00 C ATOM 81 O ILE A 6 16.593 0.367 2.444 1.00 0.00 O ATOM 82 CB ILE A 6 18.072 -0.834 0.000 1.00 0.00 C ATOM 83 CG1 ILE A 6 18.171 -1.124 -1.499 1.00 0.00 C ATOM 84 CG2 ILE A 6 19.017 -1.733 0.783 1.00 0.00 C ATOM 85 CD1 ILE A 6 19.508 -0.750 -2.099 1.00 0.00 C ATOM 0 H ILE A 6 15.987 0.830 -0.254 1.00 0.00 H new ATOM 0 HA ILE A 6 16.310 -2.049 0.280 1.00 0.00 H new ATOM 0 HB ILE A 6 18.363 0.203 0.170 1.00 0.00 H new ATOM 0 HG12 ILE A 6 17.990 -2.185 -1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 6 17.383 -0.579 -2.019 1.00 0.00 H new ATOM 0 HG21 ILE A 6 20.037 -1.586 0.427 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.963 -1.483 1.843 1.00 0.00 H new ATOM 0 HG23 ILE A 6 18.729 -2.775 0.641 1.00 0.00 H new ATOM 0 HD11 ILE A 6 19.507 -0.983 -3.164 1.00 0.00 H new ATOM 0 HD12 ILE A 6 19.683 0.317 -1.961 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.299 -1.314 -1.605 1.00 0.00 H new ATOM 97 N VAL A 7 16.494 -1.858 2.762 1.00 0.00 N ATOM 98 CA VAL A 7 16.438 -1.759 4.215 1.00 0.00 C ATOM 99 C VAL A 7 17.790 -2.080 4.841 1.00 0.00 C ATOM 100 O VAL A 7 18.431 -3.069 4.487 1.00 0.00 O ATOM 101 CB VAL A 7 15.375 -2.707 4.802 1.00 0.00 C ATOM 102 CG1 VAL A 7 15.569 -4.120 4.274 1.00 0.00 C ATOM 103 CG2 VAL A 7 15.424 -2.686 6.322 1.00 0.00 C ATOM 0 H VAL A 7 16.471 -2.813 2.404 1.00 0.00 H new ATOM 0 HA VAL A 7 16.167 -0.730 4.451 1.00 0.00 H new ATOM 0 HB VAL A 7 14.391 -2.360 4.488 1.00 0.00 H new ATOM 0 HG11 VAL A 7 14.809 -4.775 4.700 1.00 0.00 H new ATOM 0 HG12 VAL A 7 15.479 -4.118 3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 7 16.558 -4.481 4.556 1.00 0.00 H new ATOM 0 HG21 VAL A 7 14.666 -3.361 6.720 1.00 0.00 H new ATOM 0 HG22 VAL A 7 16.410 -3.008 6.659 1.00 0.00 H new ATOM 0 HG23 VAL A 7 15.231 -1.674 6.678 1.00 0.00 H new ATOM 113 N LYS A 8 18.220 -1.236 5.773 1.00 0.00 N ATOM 114 CA LYS A 8 19.496 -1.430 6.451 1.00 0.00 C ATOM 115 C LYS A 8 19.395 -1.042 7.923 1.00 0.00 C ATOM 116 O LYS A 8 19.827 0.040 8.320 1.00 0.00 O ATOM 117 CB LYS A 8 20.589 -0.604 5.769 1.00 0.00 C ATOM 118 CG LYS A 8 20.539 -0.664 4.252 1.00 0.00 C ATOM 119 CD LYS A 8 21.842 -0.187 3.632 1.00 0.00 C ATOM 120 CE LYS A 8 21.638 0.287 2.201 1.00 0.00 C ATOM 121 NZ LYS A 8 22.746 1.171 1.746 1.00 0.00 N ATOM 0 H LYS A 8 17.703 -0.411 6.076 1.00 0.00 H new ATOM 0 HA LYS A 8 19.755 -2.487 6.389 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.499 0.435 6.086 1.00 0.00 H new ATOM 0 HB3 LYS A 8 21.563 -0.957 6.106 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.337 -1.687 3.934 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.716 -0.048 3.890 1.00 0.00 H new ATOM 0 HD2 LYS A 8 22.255 0.625 4.230 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.571 -0.997 3.648 1.00 0.00 H new ATOM 0 HE2 LYS A 8 21.567 -0.576 1.539 1.00 0.00 H new ATOM 0 HE3 LYS A 8 20.692 0.823 2.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 22.570 1.473 0.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 22.798 2.008 2.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 23.646 0.651 1.792 1.00 0.00 H new ATOM 135 N TRP A 9 18.824 -1.932 8.726 1.00 0.00 N ATOM 136 CA TRP A 9 18.668 -1.682 10.155 1.00 0.00 C ATOM 137 C TRP A 9 19.905 -2.132 10.924 1.00 0.00 C ATOM 138 O TRP A 9 19.802 -2.843 11.923 1.00 0.00 O ATOM 139 CB TRP A 9 17.430 -2.405 10.688 1.00 0.00 C ATOM 140 CG TRP A 9 17.069 -2.012 12.088 1.00 0.00 C ATOM 141 CD1 TRP A 9 16.844 -2.851 13.142 1.00 0.00 C ATOM 142 CD2 TRP A 9 16.891 -0.682 12.586 1.00 0.00 C ATOM 143 NE1 TRP A 9 16.536 -2.122 14.266 1.00 0.00 N ATOM 144 CE2 TRP A 9 16.559 -0.789 13.951 1.00 0.00 C ATOM 145 CE3 TRP A 9 16.982 0.589 12.013 1.00 0.00 C ATOM 146 CZ2 TRP A 9 16.317 0.327 14.748 1.00 0.00 C ATOM 147 CZ3 TRP A 9 16.741 1.696 12.805 1.00 0.00 C ATOM 148 CH2 TRP A 9 16.413 1.559 14.160 1.00 0.00 C ATOM 0 H TRP A 9 18.461 -2.833 8.413 1.00 0.00 H new ATOM 0 HA TRP A 9 18.544 -0.609 10.300 1.00 0.00 H new ATOM 0 HB2 TRP A 9 16.586 -2.197 10.031 1.00 0.00 H new ATOM 0 HB3 TRP A 9 17.603 -3.481 10.654 1.00 0.00 H new ATOM 0 HD1 TRP A 9 16.900 -3.929 13.099 1.00 0.00 H new ATOM 0 HE1 TRP A 9 16.325 -2.510 15.185 1.00 0.00 H new ATOM 0 HE3 TRP A 9 17.236 0.705 10.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 16.063 0.224 15.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 16.807 2.683 12.372 1.00 0.00 H new ATOM 0 HH2 TRP A 9 16.232 2.444 14.753 1.00 0.00 H new ATOM 159 N GLY A 10 21.075 -1.712 10.453 1.00 0.00 N ATOM 160 CA GLY A 10 22.315 -2.082 11.110 1.00 0.00 C ATOM 161 C GLY A 10 22.575 -3.575 11.061 1.00 0.00 C ATOM 162 O GLY A 10 23.182 -4.076 10.115 1.00 0.00 O ATOM 0 H GLY A 10 21.186 -1.122 9.628 1.00 0.00 H new ATOM 0 HA2 GLY A 10 23.144 -1.556 10.636 1.00 0.00 H new ATOM 0 HA3 GLY A 10 22.283 -1.756 12.150 1.00 0.00 H new ATOM 166 N GLY A 11 22.114 -4.288 12.084 1.00 0.00 N ATOM 167 CA GLY A 11 22.311 -5.725 12.135 1.00 0.00 C ATOM 168 C GLY A 11 21.862 -6.417 10.864 1.00 0.00 C ATOM 169 O GLY A 11 22.646 -7.112 10.218 1.00 0.00 O ATOM 0 H GLY A 11 21.608 -3.896 12.878 1.00 0.00 H new ATOM 0 HA2 GLY A 11 23.366 -5.938 12.308 1.00 0.00 H new ATOM 0 HA3 GLY A 11 21.760 -6.134 12.982 1.00 0.00 H new ATOM 173 N GLN A 12 20.596 -6.229 10.505 1.00 0.00 N ATOM 174 CA GLN A 12 20.044 -6.843 9.303 1.00 0.00 C ATOM 175 C GLN A 12 19.992 -5.841 8.154 1.00 0.00 C ATOM 176 O GLN A 12 19.624 -4.683 8.345 1.00 0.00 O ATOM 177 CB GLN A 12 18.643 -7.390 9.582 1.00 0.00 C ATOM 178 CG GLN A 12 17.573 -6.312 9.660 1.00 0.00 C ATOM 179 CD GLN A 12 16.959 -6.001 8.310 1.00 0.00 C ATOM 180 OE1 GLN A 12 17.416 -6.493 7.278 1.00 0.00 O ATOM 181 NE2 GLN A 12 15.915 -5.179 8.310 1.00 0.00 N ATOM 0 H GLN A 12 19.934 -5.657 11.029 1.00 0.00 H new ATOM 0 HA GLN A 12 20.697 -7.666 9.013 1.00 0.00 H new ATOM 0 HB2 GLN A 12 18.376 -8.099 8.798 1.00 0.00 H new ATOM 0 HB3 GLN A 12 18.658 -7.944 10.521 1.00 0.00 H new ATOM 0 HG2 GLN A 12 16.789 -6.632 10.346 1.00 0.00 H new ATOM 0 HG3 GLN A 12 18.008 -5.403 10.075 1.00 0.00 H new ATOM 0 HE21 GLN A 12 15.569 -4.794 9.189 1.00 0.00 H new ATOM 0 HE22 GLN A 12 15.460 -4.933 7.431 1.00 0.00 H new ATOM 190 N GLU A 13 20.364 -6.296 6.962 1.00 0.00 N ATOM 191 CA GLU A 13 20.360 -5.438 5.783 1.00 0.00 C ATOM 192 C GLU A 13 19.828 -6.188 4.565 1.00 0.00 C ATOM 193 O GLU A 13 20.593 -6.791 3.811 1.00 0.00 O ATOM 194 CB GLU A 13 21.771 -4.918 5.499 1.00 0.00 C ATOM 195 CG GLU A 13 21.812 -3.795 4.476 1.00 0.00 C ATOM 196 CD GLU A 13 23.090 -3.794 3.660 1.00 0.00 C ATOM 197 OE1 GLU A 13 23.214 -4.641 2.751 1.00 0.00 O ATOM 198 OE2 GLU A 13 23.966 -2.947 3.932 1.00 0.00 O ATOM 0 H GLU A 13 20.672 -7.253 6.787 1.00 0.00 H new ATOM 0 HA GLU A 13 19.702 -4.593 5.983 1.00 0.00 H new ATOM 0 HB2 GLU A 13 22.213 -4.566 6.431 1.00 0.00 H new ATOM 0 HB3 GLU A 13 22.389 -5.743 5.145 1.00 0.00 H new ATOM 0 HG2 GLU A 13 20.958 -3.888 3.806 1.00 0.00 H new ATOM 0 HG3 GLU A 13 21.712 -2.838 4.988 1.00 0.00 H new ATOM 205 N TYR A 14 18.514 -6.147 4.380 1.00 0.00 N ATOM 206 CA TYR A 14 17.878 -6.826 3.257 1.00 0.00 C ATOM 207 C TYR A 14 17.532 -5.836 2.148 1.00 0.00 C ATOM 208 O TYR A 14 17.802 -4.641 2.261 1.00 0.00 O ATOM 209 CB TYR A 14 16.615 -7.552 3.721 1.00 0.00 C ATOM 210 CG TYR A 14 16.868 -8.577 4.803 1.00 0.00 C ATOM 211 CD1 TYR A 14 17.928 -9.469 4.707 1.00 0.00 C ATOM 212 CD2 TYR A 14 16.047 -8.652 5.922 1.00 0.00 C ATOM 213 CE1 TYR A 14 18.163 -10.408 5.693 1.00 0.00 C ATOM 214 CE2 TYR A 14 16.276 -9.587 6.913 1.00 0.00 C ATOM 215 CZ TYR A 14 17.334 -10.463 6.794 1.00 0.00 C ATOM 216 OH TYR A 14 17.566 -11.395 7.779 1.00 0.00 O ATOM 0 H TYR A 14 17.868 -5.651 4.993 1.00 0.00 H new ATOM 0 HA TYR A 14 18.583 -7.557 2.860 1.00 0.00 H new ATOM 0 HB2 TYR A 14 15.898 -6.818 4.089 1.00 0.00 H new ATOM 0 HB3 TYR A 14 16.155 -8.046 2.865 1.00 0.00 H new ATOM 0 HD1 TYR A 14 18.580 -9.428 3.847 1.00 0.00 H new ATOM 0 HD2 TYR A 14 15.217 -7.968 6.018 1.00 0.00 H new ATOM 0 HE1 TYR A 14 18.991 -11.095 5.602 1.00 0.00 H new ATOM 0 HE2 TYR A 14 15.629 -9.631 7.777 1.00 0.00 H new ATOM 0 HH TYR A 14 16.893 -11.300 8.485 1.00 0.00 H new ATOM 226 N SER A 15 16.930 -6.344 1.077 1.00 0.00 N ATOM 227 CA SER A 15 16.549 -5.507 -0.054 1.00 0.00 C ATOM 228 C SER A 15 15.045 -5.582 -0.302 1.00 0.00 C ATOM 229 O SER A 15 14.509 -6.643 -0.622 1.00 0.00 O ATOM 230 CB SER A 15 17.307 -5.936 -1.312 1.00 0.00 C ATOM 231 OG SER A 15 17.197 -7.333 -1.522 1.00 0.00 O ATOM 0 H SER A 15 16.696 -7.331 0.969 1.00 0.00 H new ATOM 0 HA SER A 15 16.810 -4.476 0.184 1.00 0.00 H new ATOM 0 HB2 SER A 15 16.913 -5.403 -2.177 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.358 -5.661 -1.219 1.00 0.00 H new ATOM 0 HG SER A 15 16.307 -7.636 -1.246 1.00 0.00 H new ATOM 237 N VAL A 16 14.370 -4.447 -0.153 1.00 0.00 N ATOM 238 CA VAL A 16 12.928 -4.382 -0.361 1.00 0.00 C ATOM 239 C VAL A 16 12.597 -3.822 -1.740 1.00 0.00 C ATOM 240 O VAL A 16 11.578 -3.156 -1.924 1.00 0.00 O ATOM 241 CB VAL A 16 12.245 -3.513 0.711 1.00 0.00 C ATOM 242 CG1 VAL A 16 10.744 -3.763 0.725 1.00 0.00 C ATOM 243 CG2 VAL A 16 12.851 -3.782 2.080 1.00 0.00 C ATOM 0 H VAL A 16 14.798 -3.560 0.111 1.00 0.00 H new ATOM 0 HA VAL A 16 12.551 -5.402 -0.286 1.00 0.00 H new ATOM 0 HB VAL A 16 12.412 -2.465 0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 16 10.279 -3.140 1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.325 -3.515 -0.250 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.552 -4.813 0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 16 12.356 -3.159 2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.716 -4.833 2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 16 13.915 -3.547 2.059 1.00 0.00 H new ATOM 253 N THR A 17 13.465 -4.097 -2.709 1.00 0.00 N ATOM 254 CA THR A 17 13.266 -3.621 -4.072 1.00 0.00 C ATOM 255 C THR A 17 11.984 -4.188 -4.670 1.00 0.00 C ATOM 256 O THR A 17 11.324 -5.033 -4.065 1.00 0.00 O ATOM 257 CB THR A 17 14.453 -3.999 -4.978 1.00 0.00 C ATOM 258 OG1 THR A 17 14.304 -3.385 -6.262 1.00 0.00 O ATOM 259 CG2 THR A 17 14.550 -5.509 -5.141 1.00 0.00 C ATOM 0 H THR A 17 14.313 -4.647 -2.574 1.00 0.00 H new ATOM 0 HA THR A 17 13.190 -2.535 -4.020 1.00 0.00 H new ATOM 0 HB THR A 17 15.369 -3.640 -4.508 1.00 0.00 H new ATOM 0 HG1 THR A 17 15.063 -3.629 -6.831 1.00 0.00 H new ATOM 0 HG21 THR A 17 15.395 -5.752 -5.785 1.00 0.00 H new ATOM 0 HG22 THR A 17 14.693 -5.972 -4.165 1.00 0.00 H new ATOM 0 HG23 THR A 17 13.631 -5.886 -5.591 1.00 0.00 H new ATOM 267 N THR A 18 11.635 -3.718 -5.864 1.00 0.00 N ATOM 268 CA THR A 18 10.431 -4.177 -6.544 1.00 0.00 C ATOM 269 C THR A 18 10.756 -5.265 -7.562 1.00 0.00 C ATOM 270 O THR A 18 9.857 -5.857 -8.161 1.00 0.00 O ATOM 271 CB THR A 18 9.713 -3.018 -7.260 1.00 0.00 C ATOM 272 OG1 THR A 18 8.419 -3.441 -7.702 1.00 0.00 O ATOM 273 CG2 THR A 18 10.526 -2.530 -8.450 1.00 0.00 C ATOM 0 H THR A 18 12.170 -3.019 -6.380 1.00 0.00 H new ATOM 0 HA THR A 18 9.771 -4.585 -5.778 1.00 0.00 H new ATOM 0 HB THR A 18 9.604 -2.196 -6.553 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.464 -4.373 -8.000 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.999 -1.711 -8.940 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.500 -2.181 -8.107 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.663 -3.348 -9.157 1.00 0.00 H new ATOM 281 N LEU A 19 12.044 -5.524 -7.753 1.00 0.00 N ATOM 282 CA LEU A 19 12.488 -6.542 -8.699 1.00 0.00 C ATOM 283 C LEU A 19 12.218 -6.106 -10.135 1.00 0.00 C ATOM 284 O LEU A 19 11.666 -5.032 -10.375 1.00 0.00 O ATOM 285 CB LEU A 19 11.784 -7.870 -8.416 1.00 0.00 C ATOM 286 CG LEU A 19 11.624 -8.245 -6.942 1.00 0.00 C ATOM 287 CD1 LEU A 19 10.648 -9.401 -6.788 1.00 0.00 C ATOM 288 CD2 LEU A 19 12.972 -8.598 -6.332 1.00 0.00 C ATOM 0 H LEU A 19 12.800 -5.043 -7.265 1.00 0.00 H new ATOM 0 HA LEU A 19 13.563 -6.674 -8.575 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.794 -7.838 -8.871 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.338 -8.665 -8.914 1.00 0.00 H new ATOM 0 HG LEU A 19 11.221 -7.383 -6.410 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.547 -9.654 -5.733 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.676 -9.112 -7.187 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.021 -10.267 -7.334 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.839 -8.862 -5.283 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.403 -9.444 -6.867 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.641 -7.741 -6.408 1.00 0.00 H new ATOM 300 N SER A 20 12.610 -6.947 -11.087 1.00 0.00 N ATOM 301 CA SER A 20 12.411 -6.647 -12.501 1.00 0.00 C ATOM 302 C SER A 20 10.937 -6.755 -12.877 1.00 0.00 C ATOM 303 O SER A 20 10.126 -7.274 -12.110 1.00 0.00 O ATOM 304 CB SER A 20 13.241 -7.597 -13.366 1.00 0.00 C ATOM 305 OG SER A 20 14.628 -7.412 -13.141 1.00 0.00 O ATOM 0 H SER A 20 13.067 -7.841 -10.905 1.00 0.00 H new ATOM 0 HA SER A 20 12.739 -5.623 -12.680 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.968 -8.629 -13.144 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.014 -7.427 -14.419 1.00 0.00 H new ATOM 0 HG SER A 20 15.136 -8.032 -13.704 1.00 0.00 H new ATOM 311 N GLU A 21 10.598 -6.261 -14.063 1.00 0.00 N ATOM 312 CA GLU A 21 9.221 -6.301 -14.542 1.00 0.00 C ATOM 313 C GLU A 21 8.738 -7.741 -14.692 1.00 0.00 C ATOM 314 O GLU A 21 7.551 -8.029 -14.538 1.00 0.00 O ATOM 315 CB GLU A 21 9.101 -5.569 -15.880 1.00 0.00 C ATOM 316 CG GLU A 21 10.002 -6.134 -16.965 1.00 0.00 C ATOM 317 CD GLU A 21 10.003 -5.287 -18.223 1.00 0.00 C ATOM 318 OE1 GLU A 21 8.908 -4.877 -18.663 1.00 0.00 O ATOM 319 OE2 GLU A 21 11.098 -5.033 -18.766 1.00 0.00 O ATOM 0 H GLU A 21 11.257 -5.828 -14.710 1.00 0.00 H new ATOM 0 HA GLU A 21 8.593 -5.801 -13.805 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.066 -5.615 -16.218 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.341 -4.516 -15.732 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.020 -6.211 -16.583 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.677 -7.145 -17.212 1.00 0.00 H new ATOM 326 N ASP A 22 9.667 -8.641 -14.993 1.00 0.00 N ATOM 327 CA ASP A 22 9.339 -10.052 -15.164 1.00 0.00 C ATOM 328 C ASP A 22 8.806 -10.647 -13.864 1.00 0.00 C ATOM 329 O ASP A 22 7.956 -11.537 -13.880 1.00 0.00 O ATOM 330 CB ASP A 22 10.569 -10.831 -15.630 1.00 0.00 C ATOM 331 CG ASP A 22 11.383 -10.069 -16.657 1.00 0.00 C ATOM 332 OD1 ASP A 22 12.204 -9.219 -16.252 1.00 0.00 O ATOM 333 OD2 ASP A 22 11.200 -10.323 -17.866 1.00 0.00 O ATOM 0 H ASP A 22 10.654 -8.419 -15.124 1.00 0.00 H new ATOM 0 HA ASP A 22 8.561 -10.129 -15.924 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.198 -11.060 -14.770 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.252 -11.783 -16.056 1.00 0.00 H new ATOM 338 N ASP A 23 9.312 -10.150 -12.741 1.00 0.00 N ATOM 339 CA ASP A 23 8.887 -10.632 -11.432 1.00 0.00 C ATOM 340 C ASP A 23 7.838 -9.705 -10.826 1.00 0.00 C ATOM 341 O ASP A 23 7.423 -8.726 -11.448 1.00 0.00 O ATOM 342 CB ASP A 23 10.089 -10.747 -10.493 1.00 0.00 C ATOM 343 CG ASP A 23 11.050 -11.840 -10.914 1.00 0.00 C ATOM 344 OD1 ASP A 23 10.844 -13.001 -10.504 1.00 0.00 O ATOM 345 OD2 ASP A 23 12.010 -11.535 -11.653 1.00 0.00 O ATOM 0 H ASP A 23 10.017 -9.414 -12.711 1.00 0.00 H new ATOM 0 HA ASP A 23 8.442 -11.618 -11.562 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.617 -9.794 -10.465 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.738 -10.946 -9.481 1.00 0.00 H new ATOM 350 N THR A 24 7.411 -10.020 -9.606 1.00 0.00 N ATOM 351 CA THR A 24 6.410 -9.217 -8.916 1.00 0.00 C ATOM 352 C THR A 24 6.731 -9.094 -7.432 1.00 0.00 C ATOM 353 O THR A 24 7.680 -9.704 -6.939 1.00 0.00 O ATOM 354 CB THR A 24 5.000 -9.818 -9.077 1.00 0.00 C ATOM 355 OG1 THR A 24 5.087 -11.242 -9.202 1.00 0.00 O ATOM 356 CG2 THR A 24 4.300 -9.238 -10.296 1.00 0.00 C ATOM 0 H THR A 24 7.744 -10.826 -9.076 1.00 0.00 H new ATOM 0 HA THR A 24 6.430 -8.227 -9.372 1.00 0.00 H new ATOM 0 HB THR A 24 4.418 -9.566 -8.191 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.567 -11.535 -9.979 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.307 -9.677 -10.389 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.210 -8.158 -10.184 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.881 -9.463 -11.190 1.00 0.00 H new ATOM 364 N VAL A 25 5.935 -8.300 -6.722 1.00 0.00 N ATOM 365 CA VAL A 25 6.134 -8.098 -5.292 1.00 0.00 C ATOM 366 C VAL A 25 5.827 -9.370 -4.509 1.00 0.00 C ATOM 367 O VAL A 25 6.343 -9.576 -3.410 1.00 0.00 O ATOM 368 CB VAL A 25 5.251 -6.954 -4.758 1.00 0.00 C ATOM 369 CG1 VAL A 25 5.339 -6.875 -3.242 1.00 0.00 C ATOM 370 CG2 VAL A 25 5.651 -5.632 -5.394 1.00 0.00 C ATOM 0 H VAL A 25 5.146 -7.786 -7.114 1.00 0.00 H new ATOM 0 HA VAL A 25 7.182 -7.833 -5.153 1.00 0.00 H new ATOM 0 HB VAL A 25 4.215 -7.161 -5.027 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.709 -6.061 -2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.999 -7.816 -2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.372 -6.691 -2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.017 -4.835 -5.006 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.693 -5.415 -5.158 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.530 -5.697 -6.475 1.00 0.00 H new ATOM 380 N LEU A 26 4.984 -10.222 -5.083 1.00 0.00 N ATOM 381 CA LEU A 26 4.608 -11.476 -4.439 1.00 0.00 C ATOM 382 C LEU A 26 5.830 -12.359 -4.211 1.00 0.00 C ATOM 383 O LEU A 26 5.961 -12.997 -3.166 1.00 0.00 O ATOM 384 CB LEU A 26 3.578 -12.220 -5.292 1.00 0.00 C ATOM 385 CG LEU A 26 4.024 -12.599 -6.704 1.00 0.00 C ATOM 386 CD1 LEU A 26 4.601 -14.006 -6.723 1.00 0.00 C ATOM 387 CD2 LEU A 26 2.862 -12.484 -7.679 1.00 0.00 C ATOM 0 H LEU A 26 4.548 -10.067 -5.992 1.00 0.00 H new ATOM 0 HA LEU A 26 4.167 -11.241 -3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.291 -13.131 -4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.684 -11.601 -5.369 1.00 0.00 H new ATOM 0 HG LEU A 26 4.804 -11.905 -7.016 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.913 -14.258 -7.737 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.462 -14.055 -6.056 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.843 -14.715 -6.390 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.198 -12.758 -8.679 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.060 -13.154 -7.370 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.495 -11.458 -7.688 1.00 0.00 H new ATOM 399 N ASP A 27 6.723 -12.390 -5.195 1.00 0.00 N ATOM 400 CA ASP A 27 7.937 -13.192 -5.100 1.00 0.00 C ATOM 401 C ASP A 27 8.763 -12.787 -3.883 1.00 0.00 C ATOM 402 O ASP A 27 8.927 -13.566 -2.943 1.00 0.00 O ATOM 403 CB ASP A 27 8.773 -13.042 -6.372 1.00 0.00 C ATOM 404 CG ASP A 27 9.643 -14.255 -6.640 1.00 0.00 C ATOM 405 OD1 ASP A 27 9.788 -15.094 -5.726 1.00 0.00 O ATOM 406 OD2 ASP A 27 10.177 -14.365 -7.763 1.00 0.00 O ATOM 0 H ASP A 27 6.629 -11.869 -6.067 1.00 0.00 H new ATOM 0 HA ASP A 27 7.645 -14.236 -4.987 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.110 -12.879 -7.222 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.404 -12.158 -6.286 1.00 0.00 H new ATOM 411 N LEU A 28 9.281 -11.564 -3.907 1.00 0.00 N ATOM 412 CA LEU A 28 10.091 -11.055 -2.805 1.00 0.00 C ATOM 413 C LEU A 28 9.311 -11.089 -1.495 1.00 0.00 C ATOM 414 O LEU A 28 9.876 -11.337 -0.429 1.00 0.00 O ATOM 415 CB LEU A 28 10.551 -9.627 -3.102 1.00 0.00 C ATOM 416 CG LEU A 28 9.507 -8.529 -2.894 1.00 0.00 C ATOM 417 CD1 LEU A 28 9.578 -7.987 -1.475 1.00 0.00 C ATOM 418 CD2 LEU A 28 9.702 -7.409 -3.905 1.00 0.00 C ATOM 0 H LEU A 28 9.155 -10.907 -4.677 1.00 0.00 H new ATOM 0 HA LEU A 28 10.965 -11.697 -2.702 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.412 -9.406 -2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.893 -9.584 -4.136 1.00 0.00 H new ATOM 0 HG LEU A 28 8.518 -8.961 -3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.828 -7.207 -1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.388 -8.794 -0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.569 -7.571 -1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.950 -6.637 -3.742 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.696 -6.979 -3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.599 -7.808 -4.914 1.00 0.00 H new ATOM 430 N LYS A 29 8.009 -10.840 -1.581 1.00 0.00 N ATOM 431 CA LYS A 29 7.149 -10.845 -0.403 1.00 0.00 C ATOM 432 C LYS A 29 7.325 -12.134 0.393 1.00 0.00 C ATOM 433 O LYS A 29 7.428 -12.107 1.619 1.00 0.00 O ATOM 434 CB LYS A 29 5.684 -10.682 -0.815 1.00 0.00 C ATOM 435 CG LYS A 29 4.706 -10.857 0.334 1.00 0.00 C ATOM 436 CD LYS A 29 3.276 -10.599 -0.108 1.00 0.00 C ATOM 437 CE LYS A 29 2.590 -11.882 -0.553 1.00 0.00 C ATOM 438 NZ LYS A 29 2.342 -12.804 0.589 1.00 0.00 N ATOM 0 H LYS A 29 7.526 -10.632 -2.455 1.00 0.00 H new ATOM 0 HA LYS A 29 7.437 -10.006 0.230 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.546 -9.693 -1.251 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.451 -11.409 -1.593 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.788 -11.868 0.732 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.967 -10.174 1.142 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.716 -10.151 0.713 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.271 -9.880 -0.927 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.643 -11.639 -1.035 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.207 -12.384 -1.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.564 -13.452 0.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.203 -13.354 0.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.086 -12.251 1.432 1.00 0.00 H new ATOM 452 N GLN A 30 7.359 -13.260 -0.312 1.00 0.00 N ATOM 453 CA GLN A 30 7.522 -14.558 0.330 1.00 0.00 C ATOM 454 C GLN A 30 8.965 -14.765 0.779 1.00 0.00 C ATOM 455 O GLN A 30 9.225 -15.442 1.775 1.00 0.00 O ATOM 456 CB GLN A 30 7.107 -15.679 -0.625 1.00 0.00 C ATOM 457 CG GLN A 30 5.616 -15.710 -0.915 1.00 0.00 C ATOM 458 CD GLN A 30 5.263 -16.637 -2.061 1.00 0.00 C ATOM 459 OE1 GLN A 30 6.140 -17.248 -2.672 1.00 0.00 O ATOM 460 NE2 GLN A 30 3.974 -16.747 -2.359 1.00 0.00 N ATOM 0 H GLN A 30 7.276 -13.299 -1.328 1.00 0.00 H new ATOM 0 HA GLN A 30 6.879 -14.584 1.210 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.649 -15.564 -1.564 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.406 -16.637 -0.199 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.082 -16.027 -0.019 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.275 -14.702 -1.150 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.281 -16.222 -1.826 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.677 -17.357 -3.121 1.00 0.00 H new ATOM 469 N PHE A 31 9.900 -14.179 0.039 1.00 0.00 N ATOM 470 CA PHE A 31 11.317 -14.300 0.361 1.00 0.00 C ATOM 471 C PHE A 31 11.659 -13.510 1.621 1.00 0.00 C ATOM 472 O PHE A 31 12.564 -13.876 2.371 1.00 0.00 O ATOM 473 CB PHE A 31 12.172 -13.809 -0.810 1.00 0.00 C ATOM 474 CG PHE A 31 12.521 -14.891 -1.792 1.00 0.00 C ATOM 475 CD1 PHE A 31 11.535 -15.707 -2.323 1.00 0.00 C ATOM 476 CD2 PHE A 31 13.835 -15.091 -2.184 1.00 0.00 C ATOM 477 CE1 PHE A 31 11.854 -16.704 -3.226 1.00 0.00 C ATOM 478 CE2 PHE A 31 14.160 -16.086 -3.087 1.00 0.00 C ATOM 479 CZ PHE A 31 13.168 -16.892 -3.609 1.00 0.00 C ATOM 0 H PHE A 31 9.702 -13.616 -0.788 1.00 0.00 H new ATOM 0 HA PHE A 31 11.533 -15.353 0.544 1.00 0.00 H new ATOM 0 HB2 PHE A 31 11.638 -13.015 -1.331 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.092 -13.373 -0.420 1.00 0.00 H new ATOM 0 HD1 PHE A 31 10.506 -15.563 -2.028 1.00 0.00 H new ATOM 0 HD2 PHE A 31 14.614 -14.462 -1.779 1.00 0.00 H new ATOM 0 HE1 PHE A 31 11.077 -17.335 -3.632 1.00 0.00 H new ATOM 0 HE2 PHE A 31 15.188 -16.233 -3.384 1.00 0.00 H new ATOM 0 HZ PHE A 31 13.419 -17.669 -4.316 1.00 0.00 H new ATOM 489 N LEU A 32 10.928 -12.423 1.846 1.00 0.00 N ATOM 490 CA LEU A 32 11.153 -11.579 3.014 1.00 0.00 C ATOM 491 C LEU A 32 10.539 -12.203 4.263 1.00 0.00 C ATOM 492 O LEU A 32 11.147 -12.204 5.334 1.00 0.00 O ATOM 493 CB LEU A 32 10.562 -10.187 2.783 1.00 0.00 C ATOM 494 CG LEU A 32 11.240 -9.341 1.705 1.00 0.00 C ATOM 495 CD1 LEU A 32 10.638 -7.945 1.665 1.00 0.00 C ATOM 496 CD2 LEU A 32 12.741 -9.269 1.948 1.00 0.00 C ATOM 0 H LEU A 32 10.175 -12.106 1.235 1.00 0.00 H new ATOM 0 HA LEU A 32 12.229 -11.490 3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.510 -10.300 2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.598 -9.638 3.724 1.00 0.00 H new ATOM 0 HG LEU A 32 11.071 -9.816 0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.133 -7.357 0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.573 -8.014 1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.776 -7.462 2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 32 13.207 -8.663 1.171 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.931 -8.818 2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.162 -10.274 1.925 1.00 0.00 H new ATOM 508 N LYS A 33 9.331 -12.737 4.119 1.00 0.00 N ATOM 509 CA LYS A 33 8.634 -13.369 5.233 1.00 0.00 C ATOM 510 C LYS A 33 9.313 -14.677 5.628 1.00 0.00 C ATOM 511 O LYS A 33 9.165 -15.149 6.756 1.00 0.00 O ATOM 512 CB LYS A 33 7.172 -13.631 4.865 1.00 0.00 C ATOM 513 CG LYS A 33 6.948 -14.969 4.181 1.00 0.00 C ATOM 514 CD LYS A 33 5.622 -15.001 3.439 1.00 0.00 C ATOM 515 CE LYS A 33 4.463 -15.288 4.382 1.00 0.00 C ATOM 516 NZ LYS A 33 4.301 -16.747 4.633 1.00 0.00 N ATOM 0 H LYS A 33 8.813 -12.745 3.240 1.00 0.00 H new ATOM 0 HA LYS A 33 8.671 -12.689 6.084 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.565 -13.588 5.769 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.823 -12.834 4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.762 -15.162 3.482 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.970 -15.767 4.924 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.459 -14.045 2.941 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.657 -15.764 2.661 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.628 -14.773 5.328 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.542 -14.888 3.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.501 -16.901 5.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.118 -17.236 3.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.170 -17.124 5.061 1.00 0.00 H new ATOM 530 N THR A 34 10.059 -15.257 4.693 1.00 0.00 N ATOM 531 CA THR A 34 10.760 -16.509 4.944 1.00 0.00 C ATOM 532 C THR A 34 12.152 -16.256 5.512 1.00 0.00 C ATOM 533 O THR A 34 12.637 -17.012 6.355 1.00 0.00 O ATOM 534 CB THR A 34 10.888 -17.349 3.658 1.00 0.00 C ATOM 535 OG1 THR A 34 11.420 -16.545 2.599 1.00 0.00 O ATOM 536 CG2 THR A 34 9.537 -17.913 3.244 1.00 0.00 C ATOM 0 H THR A 34 10.193 -14.879 3.755 1.00 0.00 H new ATOM 0 HA THR A 34 10.168 -17.062 5.673 1.00 0.00 H new ATOM 0 HB THR A 34 11.565 -18.180 3.858 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.685 -16.110 2.118 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.652 -18.502 2.334 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.148 -18.548 4.040 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.842 -17.094 3.060 1.00 0.00 H new ATOM 544 N LEU A 35 12.790 -15.188 5.046 1.00 0.00 N ATOM 545 CA LEU A 35 14.128 -14.834 5.509 1.00 0.00 C ATOM 546 C LEU A 35 14.062 -14.039 6.809 1.00 0.00 C ATOM 547 O LEU A 35 14.779 -14.332 7.767 1.00 0.00 O ATOM 548 CB LEU A 35 14.861 -14.023 4.439 1.00 0.00 C ATOM 549 CG LEU A 35 16.118 -13.285 4.900 1.00 0.00 C ATOM 550 CD1 LEU A 35 17.131 -14.263 5.476 1.00 0.00 C ATOM 551 CD2 LEU A 35 16.728 -12.499 3.749 1.00 0.00 C ATOM 0 H LEU A 35 12.403 -14.552 4.348 1.00 0.00 H new ATOM 0 HA LEU A 35 14.677 -15.757 5.697 1.00 0.00 H new ATOM 0 HB2 LEU A 35 15.136 -14.696 3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 35 14.166 -13.292 4.026 1.00 0.00 H new ATOM 0 HG LEU A 35 15.836 -12.582 5.684 1.00 0.00 H new ATOM 0 HD11 LEU A 35 18.019 -13.719 5.799 1.00 0.00 H new ATOM 0 HD12 LEU A 35 16.693 -14.781 6.329 1.00 0.00 H new ATOM 0 HD13 LEU A 35 17.408 -14.991 4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 35 17.622 -11.980 4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 35 16.995 -13.182 2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 35 16.005 -11.770 3.382 1.00 0.00 H new ATOM 563 N THR A 36 13.194 -13.032 6.838 1.00 0.00 N ATOM 564 CA THR A 36 13.033 -12.195 8.020 1.00 0.00 C ATOM 565 C THR A 36 12.048 -12.817 9.003 1.00 0.00 C ATOM 566 O THR A 36 12.258 -12.780 10.215 1.00 0.00 O ATOM 567 CB THR A 36 12.545 -10.783 7.646 1.00 0.00 C ATOM 568 OG1 THR A 36 11.123 -10.785 7.476 1.00 0.00 O ATOM 569 CG2 THR A 36 13.213 -10.300 6.368 1.00 0.00 C ATOM 0 H THR A 36 12.592 -12.777 6.056 1.00 0.00 H new ATOM 0 HA THR A 36 14.013 -12.120 8.490 1.00 0.00 H new ATOM 0 HB THR A 36 12.813 -10.104 8.456 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.888 -11.323 6.691 1.00 0.00 H new ATOM 0 HG21 THR A 36 12.852 -9.301 6.124 1.00 0.00 H new ATOM 0 HG22 THR A 36 14.293 -10.271 6.511 1.00 0.00 H new ATOM 0 HG23 THR A 36 12.973 -10.981 5.552 1.00 0.00 H new ATOM 577 N GLY A 37 10.971 -13.391 8.473 1.00 0.00 N ATOM 578 CA GLY A 37 9.970 -14.013 9.319 1.00 0.00 C ATOM 579 C GLY A 37 9.527 -13.111 10.454 1.00 0.00 C ATOM 580 O GLY A 37 9.114 -13.587 11.511 1.00 0.00 O ATOM 0 H GLY A 37 10.775 -13.436 7.473 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.104 -14.282 8.714 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.371 -14.939 9.731 1.00 0.00 H new ATOM 584 N VAL A 38 9.613 -11.802 10.235 1.00 0.00 N ATOM 585 CA VAL A 38 9.218 -10.830 11.247 1.00 0.00 C ATOM 586 C VAL A 38 8.098 -9.930 10.738 1.00 0.00 C ATOM 587 O VAL A 38 7.349 -9.347 11.523 1.00 0.00 O ATOM 588 CB VAL A 38 10.409 -9.955 11.680 1.00 0.00 C ATOM 589 CG1 VAL A 38 10.859 -9.062 10.534 1.00 0.00 C ATOM 590 CG2 VAL A 38 10.044 -9.125 12.901 1.00 0.00 C ATOM 0 H VAL A 38 9.953 -11.391 9.366 1.00 0.00 H new ATOM 0 HA VAL A 38 8.861 -11.396 12.107 1.00 0.00 H new ATOM 0 HB VAL A 38 11.239 -10.608 11.948 1.00 0.00 H new ATOM 0 HG11 VAL A 38 11.701 -8.451 10.858 1.00 0.00 H new ATOM 0 HG12 VAL A 38 11.163 -9.680 9.689 1.00 0.00 H new ATOM 0 HG13 VAL A 38 10.036 -8.414 10.232 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.897 -8.513 13.193 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.199 -8.479 12.663 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.774 -9.787 13.724 1.00 0.00 H new ATOM 600 N LEU A 39 7.989 -9.821 9.418 1.00 0.00 N ATOM 601 CA LEU A 39 6.959 -8.992 8.802 1.00 0.00 C ATOM 602 C LEU A 39 5.566 -9.530 9.116 1.00 0.00 C ATOM 603 O LEU A 39 4.683 -8.806 9.575 1.00 0.00 O ATOM 604 CB LEU A 39 7.165 -8.930 7.288 1.00 0.00 C ATOM 605 CG LEU A 39 8.616 -8.936 6.807 1.00 0.00 C ATOM 606 CD1 LEU A 39 8.681 -8.742 5.300 1.00 0.00 C ATOM 607 CD2 LEU A 39 9.419 -7.858 7.520 1.00 0.00 C ATOM 0 H LEU A 39 8.601 -10.296 8.754 1.00 0.00 H new ATOM 0 HA LEU A 39 7.041 -7.987 9.215 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.650 -9.778 6.836 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.683 -8.028 6.913 1.00 0.00 H new ATOM 0 HG LEU A 39 9.053 -9.905 7.047 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.722 -8.749 4.977 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.142 -9.550 4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.226 -7.787 5.036 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.449 -7.877 7.165 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.982 -6.881 7.312 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.402 -8.042 8.594 1.00 0.00 H new ATOM 619 N PRO A 40 5.364 -10.832 8.864 1.00 0.00 N ATOM 620 CA PRO A 40 4.082 -11.497 9.115 1.00 0.00 C ATOM 621 C PRO A 40 3.783 -11.637 10.603 1.00 0.00 C ATOM 622 O PRO A 40 2.679 -12.018 10.990 1.00 0.00 O ATOM 623 CB PRO A 40 4.266 -12.874 8.474 1.00 0.00 C ATOM 624 CG PRO A 40 5.737 -13.107 8.490 1.00 0.00 C ATOM 625 CD PRO A 40 6.372 -11.755 8.316 1.00 0.00 C ATOM 0 HA PRO A 40 3.243 -10.932 8.709 1.00 0.00 H new ATOM 0 HB2 PRO A 40 3.737 -13.645 9.034 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.873 -12.893 7.457 1.00 0.00 H new ATOM 0 HG2 PRO A 40 6.049 -13.567 9.428 1.00 0.00 H new ATOM 0 HG3 PRO A 40 6.034 -13.784 7.689 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.317 -11.683 8.854 1.00 0.00 H new ATOM 0 HD3 PRO A 40 6.584 -11.542 7.268 1.00 0.00 H new ATOM 633 N GLU A 41 4.774 -11.328 11.433 1.00 0.00 N ATOM 634 CA GLU A 41 4.616 -11.421 12.880 1.00 0.00 C ATOM 635 C GLU A 41 4.364 -10.045 13.489 1.00 0.00 C ATOM 636 O GLU A 41 3.281 -9.773 14.010 1.00 0.00 O ATOM 637 CB GLU A 41 5.859 -12.050 13.512 1.00 0.00 C ATOM 638 CG GLU A 41 6.173 -13.440 12.984 1.00 0.00 C ATOM 639 CD GLU A 41 5.444 -14.531 13.743 1.00 0.00 C ATOM 640 OE1 GLU A 41 5.327 -14.415 14.981 1.00 0.00 O ATOM 641 OE2 GLU A 41 4.992 -15.502 13.101 1.00 0.00 O ATOM 0 H GLU A 41 5.695 -11.011 11.129 1.00 0.00 H new ATOM 0 HA GLU A 41 3.753 -12.054 13.085 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.716 -11.400 13.333 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.720 -12.103 14.592 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.903 -13.494 11.929 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.247 -13.614 13.047 1.00 0.00 H new ATOM 648 N ARG A 42 5.371 -9.180 13.420 1.00 0.00 N ATOM 649 CA ARG A 42 5.260 -7.833 13.967 1.00 0.00 C ATOM 650 C ARG A 42 6.371 -6.935 13.431 1.00 0.00 C ATOM 651 O ARG A 42 7.529 -7.062 13.828 1.00 0.00 O ATOM 652 CB ARG A 42 5.314 -7.873 15.495 1.00 0.00 C ATOM 653 CG ARG A 42 6.405 -8.780 16.042 1.00 0.00 C ATOM 654 CD ARG A 42 6.474 -8.716 17.559 1.00 0.00 C ATOM 655 NE ARG A 42 5.161 -8.894 18.175 1.00 0.00 N ATOM 656 CZ ARG A 42 4.908 -8.636 19.453 1.00 0.00 C ATOM 657 NH1 ARG A 42 5.872 -8.190 20.247 1.00 0.00 N ATOM 658 NH2 ARG A 42 3.688 -8.823 19.940 1.00 0.00 N ATOM 0 H ARG A 42 6.273 -9.388 12.991 1.00 0.00 H new ATOM 0 HA ARG A 42 4.301 -7.420 13.656 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.471 -6.862 15.871 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.349 -8.209 15.876 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.217 -9.807 15.728 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.367 -8.489 15.620 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.153 -9.487 17.924 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.890 -7.755 17.863 1.00 0.00 H new ATOM 0 HE ARG A 42 4.397 -9.235 17.592 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.811 -8.044 19.877 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.674 -7.993 21.228 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.943 -9.165 19.333 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.495 -8.625 20.922 1.00 0.00 H new ATOM 672 N GLN A 43 6.010 -6.030 12.527 1.00 0.00 N ATOM 673 CA GLN A 43 6.977 -5.113 11.936 1.00 0.00 C ATOM 674 C GLN A 43 6.546 -3.664 12.137 1.00 0.00 C ATOM 675 O GLN A 43 5.356 -3.349 12.112 1.00 0.00 O ATOM 676 CB GLN A 43 7.144 -5.406 10.444 1.00 0.00 C ATOM 677 CG GLN A 43 5.851 -5.292 9.653 1.00 0.00 C ATOM 678 CD GLN A 43 5.956 -5.905 8.271 1.00 0.00 C ATOM 679 OE1 GLN A 43 6.965 -5.746 7.584 1.00 0.00 O ATOM 680 NE2 GLN A 43 4.912 -6.613 7.856 1.00 0.00 N ATOM 0 H GLN A 43 5.055 -5.912 12.188 1.00 0.00 H new ATOM 0 HA GLN A 43 7.934 -5.261 12.437 1.00 0.00 H new ATOM 0 HB2 GLN A 43 7.877 -4.716 10.027 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.547 -6.411 10.323 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.048 -5.782 10.204 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.578 -4.241 9.560 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.096 -6.719 8.458 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.926 -7.051 6.935 1.00 0.00 H new ATOM 689 N LYS A 44 7.522 -2.784 12.336 1.00 0.00 N ATOM 690 CA LYS A 44 7.245 -1.367 12.540 1.00 0.00 C ATOM 691 C LYS A 44 8.125 -0.505 11.640 1.00 0.00 C ATOM 692 O LYS A 44 8.926 0.297 12.121 1.00 0.00 O ATOM 693 CB LYS A 44 7.471 -0.988 14.005 1.00 0.00 C ATOM 694 CG LYS A 44 6.762 -1.905 14.987 1.00 0.00 C ATOM 695 CD LYS A 44 6.961 -1.446 16.422 1.00 0.00 C ATOM 696 CE LYS A 44 8.251 -1.998 17.009 1.00 0.00 C ATOM 697 NZ LYS A 44 8.502 -1.477 18.382 1.00 0.00 N ATOM 0 H LYS A 44 8.512 -3.028 12.360 1.00 0.00 H new ATOM 0 HA LYS A 44 6.202 -1.186 12.280 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.541 -1.003 14.214 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.129 0.035 14.164 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.697 -1.932 14.757 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.138 -2.922 14.874 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.981 -0.357 16.457 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.116 -1.770 17.029 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.201 -3.086 17.037 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.087 -1.734 16.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.390 -1.876 18.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.575 -0.440 18.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.716 -1.751 19.006 1.00 0.00 H new ATOM 711 N LEU A 45 7.970 -0.675 10.331 1.00 0.00 N ATOM 712 CA LEU A 45 8.749 0.088 9.363 1.00 0.00 C ATOM 713 C LEU A 45 8.524 1.586 9.543 1.00 0.00 C ATOM 714 O LEU A 45 7.719 2.009 10.373 1.00 0.00 O ATOM 715 CB LEU A 45 8.379 -0.328 7.939 1.00 0.00 C ATOM 716 CG LEU A 45 8.675 -1.781 7.565 1.00 0.00 C ATOM 717 CD1 LEU A 45 7.443 -2.647 7.775 1.00 0.00 C ATOM 718 CD2 LEU A 45 9.156 -1.874 6.124 1.00 0.00 C ATOM 0 H LEU A 45 7.312 -1.335 9.916 1.00 0.00 H new ATOM 0 HA LEU A 45 9.804 -0.125 9.534 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.314 -0.146 7.794 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.911 0.321 7.243 1.00 0.00 H new ATOM 0 HG LEU A 45 9.468 -2.149 8.216 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.672 -3.678 7.504 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.143 -2.605 8.822 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.629 -2.280 7.150 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.362 -2.915 5.876 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.385 -1.487 5.457 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.066 -1.286 6.006 1.00 0.00 H new ATOM 730 N LEU A 46 9.239 2.385 8.758 1.00 0.00 N ATOM 731 CA LEU A 46 9.115 3.837 8.828 1.00 0.00 C ATOM 732 C LEU A 46 8.081 4.344 7.829 1.00 0.00 C ATOM 733 O LEU A 46 7.738 5.526 7.820 1.00 0.00 O ATOM 734 CB LEU A 46 10.469 4.497 8.558 1.00 0.00 C ATOM 735 CG LEU A 46 10.687 5.024 7.139 1.00 0.00 C ATOM 736 CD1 LEU A 46 12.025 5.740 7.036 1.00 0.00 C ATOM 737 CD2 LEU A 46 10.609 3.887 6.130 1.00 0.00 C ATOM 0 H LEU A 46 9.910 2.052 8.066 1.00 0.00 H new ATOM 0 HA LEU A 46 8.782 4.101 9.832 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.592 5.326 9.255 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.254 3.774 8.780 1.00 0.00 H new ATOM 0 HG LEU A 46 9.897 5.739 6.912 1.00 0.00 H new ATOM 0 HD11 LEU A 46 12.163 6.108 6.019 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.043 6.579 7.732 1.00 0.00 H new ATOM 0 HD13 LEU A 46 12.829 5.046 7.283 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.766 4.280 5.126 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.378 3.148 6.355 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.627 3.418 6.186 1.00 0.00 H new ATOM 749 N GLY A 47 7.585 3.441 6.988 1.00 0.00 N ATOM 750 CA GLY A 47 6.593 3.816 5.997 1.00 0.00 C ATOM 751 C GLY A 47 6.141 2.640 5.155 1.00 0.00 C ATOM 752 O GLY A 47 4.952 2.322 5.105 1.00 0.00 O ATOM 0 H GLY A 47 7.852 2.457 6.975 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.730 4.253 6.499 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.007 4.587 5.347 1.00 0.00 H new ATOM 756 N LEU A 48 7.090 1.992 4.489 1.00 0.00 N ATOM 757 CA LEU A 48 6.784 0.844 3.643 1.00 0.00 C ATOM 758 C LEU A 48 6.250 -0.318 4.474 1.00 0.00 C ATOM 759 O LEU A 48 6.577 -0.455 5.653 1.00 0.00 O ATOM 760 CB LEU A 48 8.031 0.406 2.873 1.00 0.00 C ATOM 761 CG LEU A 48 7.869 -0.821 1.974 1.00 0.00 C ATOM 762 CD1 LEU A 48 8.533 -0.586 0.626 1.00 0.00 C ATOM 763 CD2 LEU A 48 8.447 -2.056 2.648 1.00 0.00 C ATOM 0 H LEU A 48 8.078 2.242 4.518 1.00 0.00 H new ATOM 0 HA LEU A 48 6.013 1.142 2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.365 1.241 2.257 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.825 0.202 3.592 1.00 0.00 H new ATOM 0 HG LEU A 48 6.805 -0.988 1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.408 -1.469 -0.000 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.072 0.273 0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.596 -0.393 0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.323 -2.919 1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.508 -1.900 2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.925 -2.235 3.588 1.00 0.00 H new ATOM 775 N LYS A 49 5.429 -1.156 3.850 1.00 0.00 N ATOM 776 CA LYS A 49 4.852 -2.310 4.530 1.00 0.00 C ATOM 777 C LYS A 49 4.011 -1.873 5.725 1.00 0.00 C ATOM 778 O LYS A 49 4.381 -2.106 6.876 1.00 0.00 O ATOM 779 CB LYS A 49 5.958 -3.262 4.991 1.00 0.00 C ATOM 780 CG LYS A 49 6.314 -4.323 3.966 1.00 0.00 C ATOM 781 CD LYS A 49 5.445 -5.560 4.118 1.00 0.00 C ATOM 782 CE LYS A 49 5.586 -6.491 2.923 1.00 0.00 C ATOM 783 NZ LYS A 49 5.087 -5.863 1.669 1.00 0.00 N ATOM 0 H LYS A 49 5.148 -1.058 2.874 1.00 0.00 H new ATOM 0 HA LYS A 49 4.205 -2.830 3.824 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.850 -2.682 5.226 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.644 -3.751 5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.195 -3.915 2.962 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.363 -4.599 4.076 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.722 -6.091 5.029 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.402 -5.262 4.227 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.633 -6.767 2.799 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.034 -7.412 3.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.880 -6.603 0.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.220 -5.326 1.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.812 -5.220 1.290 1.00 0.00 H new ATOM 797 N VAL A 50 2.876 -1.240 5.444 1.00 0.00 N ATOM 798 CA VAL A 50 1.981 -0.773 6.496 1.00 0.00 C ATOM 799 C VAL A 50 1.035 -1.881 6.945 1.00 0.00 C ATOM 800 O VAL A 50 0.570 -2.682 6.134 1.00 0.00 O ATOM 801 CB VAL A 50 1.151 0.438 6.031 1.00 0.00 C ATOM 802 CG1 VAL A 50 0.398 0.110 4.751 1.00 0.00 C ATOM 803 CG2 VAL A 50 0.191 0.879 7.126 1.00 0.00 C ATOM 0 H VAL A 50 2.555 -1.039 4.497 1.00 0.00 H new ATOM 0 HA VAL A 50 2.609 -0.473 7.335 1.00 0.00 H new ATOM 0 HB VAL A 50 1.832 1.264 5.822 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.183 0.978 4.438 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.109 -0.153 3.968 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.273 -0.731 4.929 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.387 1.736 6.780 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.485 0.059 7.369 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.757 1.158 8.015 1.00 0.00 H new ATOM 813 N LYS A 51 0.752 -1.921 8.243 1.00 0.00 N ATOM 814 CA LYS A 51 -0.140 -2.929 8.801 1.00 0.00 C ATOM 815 C LYS A 51 -1.599 -2.581 8.519 1.00 0.00 C ATOM 816 O LYS A 51 -1.940 -1.418 8.308 1.00 0.00 O ATOM 817 CB LYS A 51 0.082 -3.058 10.310 1.00 0.00 C ATOM 818 CG LYS A 51 -0.168 -1.769 11.073 1.00 0.00 C ATOM 819 CD LYS A 51 0.139 -1.928 12.553 1.00 0.00 C ATOM 820 CE LYS A 51 -0.620 -0.912 13.393 1.00 0.00 C ATOM 821 NZ LYS A 51 -0.164 0.480 13.124 1.00 0.00 N ATOM 0 H LYS A 51 1.128 -1.266 8.928 1.00 0.00 H new ATOM 0 HA LYS A 51 0.087 -3.882 8.324 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.575 -3.835 10.700 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.106 -3.385 10.492 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.449 -0.973 10.656 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.207 -1.466 10.947 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.124 -2.936 12.874 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.210 -1.810 12.718 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.687 -0.992 13.184 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.485 -1.141 14.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.705 1.143 13.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.848 0.563 13.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.317 0.708 12.121 1.00 0.00 H new ATOM 835 N GLY A 52 -2.456 -3.598 8.519 1.00 0.00 N ATOM 836 CA GLY A 52 -3.867 -3.378 8.264 1.00 0.00 C ATOM 837 C GLY A 52 -4.159 -3.129 6.798 1.00 0.00 C ATOM 838 O GLY A 52 -5.299 -2.855 6.421 1.00 0.00 O ATOM 0 H GLY A 52 -2.198 -4.570 8.691 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.434 -4.246 8.602 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.210 -2.525 8.850 1.00 0.00 H new ATOM 842 N LYS A 53 -3.127 -3.222 5.966 1.00 0.00 N ATOM 843 CA LYS A 53 -3.277 -3.004 4.532 1.00 0.00 C ATOM 844 C LYS A 53 -1.943 -3.177 3.814 1.00 0.00 C ATOM 845 O LYS A 53 -1.317 -2.211 3.375 1.00 0.00 O ATOM 846 CB LYS A 53 -3.836 -1.605 4.264 1.00 0.00 C ATOM 847 CG LYS A 53 -3.179 -0.517 5.095 1.00 0.00 C ATOM 848 CD LYS A 53 -3.850 0.829 4.883 1.00 0.00 C ATOM 849 CE LYS A 53 -3.582 1.372 3.488 1.00 0.00 C ATOM 850 NZ LYS A 53 -4.611 0.920 2.510 1.00 0.00 N ATOM 0 H LYS A 53 -2.177 -3.447 6.261 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.976 -3.747 4.147 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.710 -1.369 3.207 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.907 -1.607 4.465 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.226 -0.786 6.150 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.124 -0.444 4.831 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.925 0.729 5.035 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.487 1.539 5.627 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.564 2.461 3.519 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.596 1.047 3.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.149 0.407 1.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.289 0.291 2.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.114 1.746 2.128 1.00 0.00 H new ATOM 864 N PRO A 54 -1.495 -4.435 3.688 1.00 0.00 N ATOM 865 CA PRO A 54 -0.232 -4.763 3.020 1.00 0.00 C ATOM 866 C PRO A 54 -0.294 -4.530 1.515 1.00 0.00 C ATOM 867 O PRO A 54 -1.365 -4.596 0.911 1.00 0.00 O ATOM 868 CB PRO A 54 -0.046 -6.252 3.325 1.00 0.00 C ATOM 869 CG PRO A 54 -1.425 -6.766 3.556 1.00 0.00 C ATOM 870 CD PRO A 54 -2.189 -5.634 4.187 1.00 0.00 C ATOM 0 HA PRO A 54 0.589 -4.137 3.370 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.435 -6.769 2.495 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.584 -6.401 4.202 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.888 -7.075 2.619 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.412 -7.639 4.208 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.238 -5.643 3.892 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.164 -5.689 5.275 1.00 0.00 H new ATOM 878 N ALA A 55 0.860 -4.259 0.914 1.00 0.00 N ATOM 879 CA ALA A 55 0.936 -4.019 -0.521 1.00 0.00 C ATOM 880 C ALA A 55 0.250 -5.135 -1.302 1.00 0.00 C ATOM 881 O ALA A 55 -0.099 -6.173 -0.740 1.00 0.00 O ATOM 882 CB ALA A 55 2.388 -3.883 -0.957 1.00 0.00 C ATOM 0 H ALA A 55 1.755 -4.200 1.399 1.00 0.00 H new ATOM 0 HA ALA A 55 0.414 -3.087 -0.736 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.430 -3.704 -2.031 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.849 -3.047 -0.431 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.926 -4.801 -0.721 1.00 0.00 H new ATOM 888 N GLU A 56 0.059 -4.914 -2.598 1.00 0.00 N ATOM 889 CA GLU A 56 -0.587 -5.902 -3.454 1.00 0.00 C ATOM 890 C GLU A 56 0.446 -6.673 -4.271 1.00 0.00 C ATOM 891 O GLU A 56 1.538 -6.175 -4.539 1.00 0.00 O ATOM 892 CB GLU A 56 -1.589 -5.222 -4.390 1.00 0.00 C ATOM 893 CG GLU A 56 -2.587 -6.182 -5.015 1.00 0.00 C ATOM 894 CD GLU A 56 -3.867 -5.493 -5.447 1.00 0.00 C ATOM 895 OE1 GLU A 56 -3.838 -4.773 -6.467 1.00 0.00 O ATOM 896 OE2 GLU A 56 -4.897 -5.673 -4.765 1.00 0.00 O ATOM 0 H GLU A 56 0.342 -4.060 -3.078 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.119 -6.607 -2.814 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.132 -4.458 -3.834 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.043 -4.711 -5.183 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.129 -6.665 -5.878 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.826 -6.969 -4.299 1.00 0.00 H new ATOM 903 N ASN A 57 0.091 -7.892 -4.663 1.00 0.00 N ATOM 904 CA ASN A 57 0.986 -8.734 -5.448 1.00 0.00 C ATOM 905 C ASN A 57 1.136 -8.193 -6.867 1.00 0.00 C ATOM 906 O ASN A 57 2.212 -8.267 -7.460 1.00 0.00 O ATOM 907 CB ASN A 57 0.464 -10.171 -5.491 1.00 0.00 C ATOM 908 CG ASN A 57 -0.975 -10.249 -5.963 1.00 0.00 C ATOM 909 OD1 ASN A 57 -1.254 -10.152 -7.159 1.00 0.00 O ATOM 910 ND2 ASN A 57 -1.898 -10.426 -5.025 1.00 0.00 N ATOM 0 H ASN A 57 -0.810 -8.319 -4.450 1.00 0.00 H new ATOM 0 HA ASN A 57 1.965 -8.725 -4.969 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.094 -10.764 -6.154 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.542 -10.613 -4.498 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.883 -10.487 -5.284 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.622 -10.501 -4.046 1.00 0.00 H new ATOM 917 N ASP A 58 0.049 -7.650 -7.405 1.00 0.00 N ATOM 918 CA ASP A 58 0.059 -7.095 -8.753 1.00 0.00 C ATOM 919 C ASP A 58 1.168 -6.059 -8.906 1.00 0.00 C ATOM 920 O ASP A 58 1.673 -5.831 -10.006 1.00 0.00 O ATOM 921 CB ASP A 58 -1.295 -6.463 -9.078 1.00 0.00 C ATOM 922 CG ASP A 58 -2.265 -7.454 -9.689 1.00 0.00 C ATOM 923 OD1 ASP A 58 -2.105 -8.669 -9.445 1.00 0.00 O ATOM 924 OD2 ASP A 58 -3.185 -7.016 -10.410 1.00 0.00 O ATOM 0 H ASP A 58 -0.850 -7.583 -6.928 1.00 0.00 H new ATOM 0 HA ASP A 58 0.248 -7.909 -9.453 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.728 -6.050 -8.167 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.148 -5.631 -9.767 1.00 0.00 H new ATOM 929 N VAL A 59 1.543 -5.431 -7.795 1.00 0.00 N ATOM 930 CA VAL A 59 2.592 -4.419 -7.806 1.00 0.00 C ATOM 931 C VAL A 59 3.855 -4.944 -8.478 1.00 0.00 C ATOM 932 O VAL A 59 4.215 -6.111 -8.325 1.00 0.00 O ATOM 933 CB VAL A 59 2.938 -3.955 -6.378 1.00 0.00 C ATOM 934 CG1 VAL A 59 4.122 -3.000 -6.399 1.00 0.00 C ATOM 935 CG2 VAL A 59 1.729 -3.305 -5.722 1.00 0.00 C ATOM 0 H VAL A 59 1.135 -5.606 -6.876 1.00 0.00 H new ATOM 0 HA VAL A 59 2.208 -3.571 -8.373 1.00 0.00 H new ATOM 0 HB VAL A 59 3.217 -4.828 -5.788 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.352 -2.683 -5.382 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.989 -3.504 -6.826 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.875 -2.128 -7.004 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.991 -2.983 -4.714 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.417 -2.441 -6.309 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.911 -4.024 -5.672 1.00 0.00 H new ATOM 945 N LYS A 60 4.527 -4.073 -9.224 1.00 0.00 N ATOM 946 CA LYS A 60 5.752 -4.446 -9.920 1.00 0.00 C ATOM 947 C LYS A 60 6.511 -3.208 -10.388 1.00 0.00 C ATOM 948 O LYS A 60 6.045 -2.081 -10.218 1.00 0.00 O ATOM 949 CB LYS A 60 5.430 -5.343 -11.117 1.00 0.00 C ATOM 950 CG LYS A 60 4.225 -4.880 -11.918 1.00 0.00 C ATOM 951 CD LYS A 60 4.431 -5.091 -13.408 1.00 0.00 C ATOM 952 CE LYS A 60 4.187 -6.538 -13.806 1.00 0.00 C ATOM 953 NZ LYS A 60 4.136 -6.706 -15.284 1.00 0.00 N ATOM 0 H LYS A 60 4.243 -3.103 -9.362 1.00 0.00 H new ATOM 0 HA LYS A 60 6.384 -4.995 -9.222 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.299 -5.383 -11.774 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.251 -6.358 -10.762 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.339 -5.425 -11.592 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.040 -3.824 -11.721 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.756 -4.441 -13.965 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.447 -4.804 -13.680 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.978 -7.166 -13.396 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.249 -6.882 -13.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.968 -7.706 -15.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.364 -6.127 -15.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.040 -6.402 -15.699 1.00 0.00 H new ATOM 967 N LEU A 61 7.680 -3.425 -10.980 1.00 0.00 N ATOM 968 CA LEU A 61 8.503 -2.326 -11.475 1.00 0.00 C ATOM 969 C LEU A 61 7.759 -1.526 -12.539 1.00 0.00 C ATOM 970 O LEU A 61 7.939 -0.315 -12.658 1.00 0.00 O ATOM 971 CB LEU A 61 9.814 -2.864 -12.049 1.00 0.00 C ATOM 972 CG LEU A 61 10.612 -1.894 -12.922 1.00 0.00 C ATOM 973 CD1 LEU A 61 10.965 -0.639 -12.140 1.00 0.00 C ATOM 974 CD2 LEU A 61 11.871 -2.566 -13.452 1.00 0.00 C ATOM 0 H LEU A 61 8.080 -4.351 -11.129 1.00 0.00 H new ATOM 0 HA LEU A 61 8.725 -1.664 -10.638 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.447 -3.181 -11.220 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.592 -3.753 -12.639 1.00 0.00 H new ATOM 0 HG LEU A 61 9.993 -1.606 -13.771 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.533 0.039 -12.777 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.050 -0.147 -11.810 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.566 -0.909 -11.271 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.426 -1.861 -14.071 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.494 -2.883 -12.616 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.596 -3.435 -14.049 1.00 0.00 H new ATOM 986 N GLY A 62 6.920 -2.212 -13.310 1.00 0.00 N ATOM 987 CA GLY A 62 6.160 -1.548 -14.353 1.00 0.00 C ATOM 988 C GLY A 62 4.942 -0.825 -13.812 1.00 0.00 C ATOM 989 O GLY A 62 4.190 -0.210 -14.568 1.00 0.00 O ATOM 0 H GLY A 62 6.753 -3.215 -13.231 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.803 -0.835 -14.869 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.843 -2.284 -15.092 1.00 0.00 H new ATOM 993 N ALA A 63 4.745 -0.901 -12.500 1.00 0.00 N ATOM 994 CA ALA A 63 3.610 -0.249 -11.859 1.00 0.00 C ATOM 995 C ALA A 63 4.075 0.811 -10.866 1.00 0.00 C ATOM 996 O ALA A 63 3.292 1.658 -10.434 1.00 0.00 O ATOM 997 CB ALA A 63 2.734 -1.279 -11.162 1.00 0.00 C ATOM 0 H ALA A 63 5.357 -1.408 -11.860 1.00 0.00 H new ATOM 0 HA ALA A 63 3.023 0.247 -12.632 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.890 -0.778 -10.688 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.365 -1.997 -11.894 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.319 -1.801 -10.404 1.00 0.00 H new ATOM 1003 N LEU A 64 5.353 0.759 -10.507 1.00 0.00 N ATOM 1004 CA LEU A 64 5.923 1.715 -9.564 1.00 0.00 C ATOM 1005 C LEU A 64 6.910 2.645 -10.261 1.00 0.00 C ATOM 1006 O LEU A 64 6.854 3.864 -10.095 1.00 0.00 O ATOM 1007 CB LEU A 64 6.621 0.978 -8.419 1.00 0.00 C ATOM 1008 CG LEU A 64 5.828 -0.157 -7.769 1.00 0.00 C ATOM 1009 CD1 LEU A 64 6.766 -1.141 -7.087 1.00 0.00 C ATOM 1010 CD2 LEU A 64 4.820 0.399 -6.774 1.00 0.00 C ATOM 0 H LEU A 64 6.014 0.065 -10.855 1.00 0.00 H new ATOM 0 HA LEU A 64 5.109 2.317 -9.159 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.559 0.570 -8.795 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.876 1.705 -7.648 1.00 0.00 H new ATOM 0 HG LEU A 64 5.283 -0.688 -8.550 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.184 -1.941 -6.630 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.449 -1.564 -7.824 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.339 -0.624 -6.317 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.265 -0.422 -6.321 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.345 0.955 -5.997 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.128 1.064 -7.291 1.00 0.00 H new ATOM 1022 N LYS A 65 7.812 2.064 -11.043 1.00 0.00 N ATOM 1023 CA LYS A 65 8.810 2.840 -11.769 1.00 0.00 C ATOM 1024 C LYS A 65 9.653 3.675 -10.811 1.00 0.00 C ATOM 1025 O LYS A 65 10.219 4.699 -11.196 1.00 0.00 O ATOM 1026 CB LYS A 65 8.131 3.751 -12.794 1.00 0.00 C ATOM 1027 CG LYS A 65 7.735 3.037 -14.075 1.00 0.00 C ATOM 1028 CD LYS A 65 8.940 2.771 -14.961 1.00 0.00 C ATOM 1029 CE LYS A 65 8.530 2.557 -16.410 1.00 0.00 C ATOM 1030 NZ LYS A 65 9.609 1.901 -17.200 1.00 0.00 N ATOM 0 H LYS A 65 7.873 1.057 -11.191 1.00 0.00 H new ATOM 0 HA LYS A 65 9.467 2.143 -12.290 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.241 4.191 -12.343 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.804 4.573 -13.039 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.247 2.094 -13.831 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.008 3.640 -14.619 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.632 3.611 -14.898 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.472 1.892 -14.599 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.629 1.944 -16.446 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.281 3.517 -16.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.291 1.773 -18.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.461 2.498 -17.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.830 0.974 -16.783 1.00 0.00 H new ATOM 1044 N LEU A 66 9.734 3.231 -9.561 1.00 0.00 N ATOM 1045 CA LEU A 66 10.510 3.937 -8.547 1.00 0.00 C ATOM 1046 C LEU A 66 11.962 3.470 -8.551 1.00 0.00 C ATOM 1047 O LEU A 66 12.353 2.627 -9.357 1.00 0.00 O ATOM 1048 CB LEU A 66 9.896 3.719 -7.164 1.00 0.00 C ATOM 1049 CG LEU A 66 8.941 4.808 -6.674 1.00 0.00 C ATOM 1050 CD1 LEU A 66 7.805 4.199 -5.866 1.00 0.00 C ATOM 1051 CD2 LEU A 66 9.691 5.842 -5.848 1.00 0.00 C ATOM 0 H LEU A 66 9.272 2.386 -9.226 1.00 0.00 H new ATOM 0 HA LEU A 66 10.489 5.001 -8.783 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.360 2.770 -7.172 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.705 3.621 -6.441 1.00 0.00 H new ATOM 0 HG LEU A 66 8.513 5.307 -7.543 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.136 4.989 -5.526 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.251 3.497 -6.489 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.213 3.673 -5.003 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.996 6.609 -5.508 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.147 5.357 -4.985 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.468 6.302 -6.459 1.00 0.00 H new ATOM 1063 N LYS A 67 12.758 4.024 -7.642 1.00 0.00 N ATOM 1064 CA LYS A 67 14.167 3.663 -7.536 1.00 0.00 C ATOM 1065 C LYS A 67 14.528 3.296 -6.100 1.00 0.00 C ATOM 1066 O LYS A 67 13.823 3.637 -5.151 1.00 0.00 O ATOM 1067 CB LYS A 67 15.048 4.819 -8.015 1.00 0.00 C ATOM 1068 CG LYS A 67 14.448 6.190 -7.754 1.00 0.00 C ATOM 1069 CD LYS A 67 15.383 7.302 -8.198 1.00 0.00 C ATOM 1070 CE LYS A 67 15.485 7.371 -9.714 1.00 0.00 C ATOM 1071 NZ LYS A 67 14.220 7.851 -10.335 1.00 0.00 N ATOM 0 H LYS A 67 12.451 4.725 -6.968 1.00 0.00 H new ATOM 0 HA LYS A 67 14.342 2.794 -8.170 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.017 4.756 -7.520 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.229 4.708 -9.084 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.499 6.279 -8.282 1.00 0.00 H new ATOM 0 HG3 LYS A 67 14.233 6.297 -6.691 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.024 8.256 -7.812 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.373 7.138 -7.773 1.00 0.00 H new ATOM 0 HE2 LYS A 67 16.302 8.037 -9.993 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.730 6.384 -10.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.389 8.078 -11.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.495 7.108 -10.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.891 8.703 -9.838 1.00 0.00 H new ATOM 1085 N PRO A 68 15.654 2.586 -5.936 1.00 0.00 N ATOM 1086 CA PRO A 68 16.135 2.159 -4.619 1.00 0.00 C ATOM 1087 C PRO A 68 16.634 3.329 -3.777 1.00 0.00 C ATOM 1088 O PRO A 68 16.814 3.202 -2.566 1.00 0.00 O ATOM 1089 CB PRO A 68 17.289 1.210 -4.953 1.00 0.00 C ATOM 1090 CG PRO A 68 17.763 1.648 -6.296 1.00 0.00 C ATOM 1091 CD PRO A 68 16.544 2.145 -7.023 1.00 0.00 C ATOM 0 HA PRO A 68 15.345 1.699 -4.026 1.00 0.00 H new ATOM 0 HB2 PRO A 68 18.085 1.278 -4.211 1.00 0.00 H new ATOM 0 HB3 PRO A 68 16.956 0.172 -4.970 1.00 0.00 H new ATOM 0 HG2 PRO A 68 18.513 2.434 -6.208 1.00 0.00 H new ATOM 0 HG3 PRO A 68 18.229 0.822 -6.834 1.00 0.00 H new ATOM 0 HD2 PRO A 68 16.786 2.963 -7.701 1.00 0.00 H new ATOM 0 HD3 PRO A 68 16.086 1.359 -7.623 1.00 0.00 H new ATOM 1099 N ASN A 69 16.856 4.467 -4.426 1.00 0.00 N ATOM 1100 CA ASN A 69 17.334 5.660 -3.737 1.00 0.00 C ATOM 1101 C ASN A 69 16.416 6.020 -2.573 1.00 0.00 C ATOM 1102 O ASN A 69 16.829 6.690 -1.625 1.00 0.00 O ATOM 1103 CB ASN A 69 17.426 6.836 -4.711 1.00 0.00 C ATOM 1104 CG ASN A 69 18.193 8.009 -4.132 1.00 0.00 C ATOM 1105 OD1 ASN A 69 17.698 9.135 -4.104 1.00 0.00 O ATOM 1106 ND2 ASN A 69 19.409 7.748 -3.666 1.00 0.00 N ATOM 0 H ASN A 69 16.712 4.588 -5.429 1.00 0.00 H new ATOM 0 HA ASN A 69 18.327 5.447 -3.342 1.00 0.00 H new ATOM 0 HB2 ASN A 69 17.911 6.506 -5.629 1.00 0.00 H new ATOM 0 HB3 ASN A 69 16.421 7.160 -4.980 1.00 0.00 H new ATOM 0 HD21 ASN A 69 19.973 8.497 -3.264 1.00 0.00 H new ATOM 0 HD22 ASN A 69 19.779 6.799 -3.710 1.00 0.00 H new ATOM 1113 N THR A 70 15.168 5.570 -2.650 1.00 0.00 N ATOM 1114 CA THR A 70 14.191 5.845 -1.604 1.00 0.00 C ATOM 1115 C THR A 70 14.761 5.539 -0.224 1.00 0.00 C ATOM 1116 O THR A 70 14.616 6.330 0.709 1.00 0.00 O ATOM 1117 CB THR A 70 12.903 5.024 -1.808 1.00 0.00 C ATOM 1118 OG1 THR A 70 13.197 3.824 -2.531 1.00 0.00 O ATOM 1119 CG2 THR A 70 11.859 5.834 -2.562 1.00 0.00 C ATOM 0 H THR A 70 14.810 5.013 -3.426 1.00 0.00 H new ATOM 0 HA THR A 70 13.951 6.906 -1.668 1.00 0.00 H new ATOM 0 HB THR A 70 12.502 4.768 -0.827 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.247 4.023 -3.489 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.959 5.234 -2.694 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.616 6.733 -1.995 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.253 6.117 -3.538 1.00 0.00 H new ATOM 1127 N LYS A 71 15.412 4.387 -0.100 1.00 0.00 N ATOM 1128 CA LYS A 71 16.007 3.976 1.166 1.00 0.00 C ATOM 1129 C LYS A 71 14.936 3.797 2.238 1.00 0.00 C ATOM 1130 O LYS A 71 14.338 4.770 2.699 1.00 0.00 O ATOM 1131 CB LYS A 71 17.038 5.009 1.628 1.00 0.00 C ATOM 1132 CG LYS A 71 18.466 4.653 1.250 1.00 0.00 C ATOM 1133 CD LYS A 71 19.359 5.882 1.227 1.00 0.00 C ATOM 1134 CE LYS A 71 19.928 6.183 2.605 1.00 0.00 C ATOM 1135 NZ LYS A 71 18.881 6.673 3.543 1.00 0.00 N ATOM 0 H LYS A 71 15.541 3.721 -0.862 1.00 0.00 H new ATOM 0 HA LYS A 71 16.505 3.019 1.011 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.788 5.978 1.197 1.00 0.00 H new ATOM 0 HB3 LYS A 71 16.973 5.116 2.711 1.00 0.00 H new ATOM 0 HG2 LYS A 71 18.862 3.928 1.961 1.00 0.00 H new ATOM 0 HG3 LYS A 71 18.476 4.176 0.270 1.00 0.00 H new ATOM 0 HD2 LYS A 71 20.175 5.727 0.521 1.00 0.00 H new ATOM 0 HD3 LYS A 71 18.789 6.741 0.872 1.00 0.00 H new ATOM 0 HE2 LYS A 71 20.388 5.283 3.012 1.00 0.00 H new ATOM 0 HE3 LYS A 71 20.716 6.931 2.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 19.304 7.343 4.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 18.129 7.150 3.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 18.477 5.868 4.064 1.00 0.00 H new ATOM 1149 N ILE A 72 14.701 2.550 2.631 1.00 0.00 N ATOM 1150 CA ILE A 72 13.705 2.245 3.650 1.00 0.00 C ATOM 1151 C ILE A 72 14.366 1.904 4.981 1.00 0.00 C ATOM 1152 O ILE A 72 15.458 1.337 5.015 1.00 0.00 O ATOM 1153 CB ILE A 72 12.802 1.073 3.222 1.00 0.00 C ATOM 1154 CG1 ILE A 72 11.676 0.871 4.238 1.00 0.00 C ATOM 1155 CG2 ILE A 72 13.622 -0.200 3.073 1.00 0.00 C ATOM 1156 CD1 ILE A 72 12.000 -0.151 5.304 1.00 0.00 C ATOM 0 H ILE A 72 15.187 1.734 2.259 1.00 0.00 H new ATOM 0 HA ILE A 72 13.093 3.139 3.770 1.00 0.00 H new ATOM 0 HB ILE A 72 12.356 1.311 2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.454 1.825 4.716 1.00 0.00 H new ATOM 0 HG13 ILE A 72 10.774 0.561 3.711 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.970 -1.019 2.770 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.392 -0.050 2.316 1.00 0.00 H new ATOM 0 HG23 ILE A 72 14.092 -0.444 4.026 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.157 -0.242 5.989 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.193 -1.116 4.836 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.884 0.167 5.857 1.00 0.00 H new ATOM 1168 N MET A 73 13.696 2.251 6.075 1.00 0.00 N ATOM 1169 CA MET A 73 14.218 1.978 7.409 1.00 0.00 C ATOM 1170 C MET A 73 13.252 1.103 8.202 1.00 0.00 C ATOM 1171 O MET A 73 12.114 1.494 8.457 1.00 0.00 O ATOM 1172 CB MET A 73 14.471 3.288 8.158 1.00 0.00 C ATOM 1173 CG MET A 73 14.663 3.104 9.655 1.00 0.00 C ATOM 1174 SD MET A 73 15.784 4.323 10.367 1.00 0.00 S ATOM 1175 CE MET A 73 17.364 3.711 9.784 1.00 0.00 C ATOM 0 H MET A 73 12.791 2.721 6.064 1.00 0.00 H new ATOM 0 HA MET A 73 15.161 1.442 7.301 1.00 0.00 H new ATOM 0 HB2 MET A 73 15.356 3.769 7.743 1.00 0.00 H new ATOM 0 HB3 MET A 73 13.632 3.963 7.988 1.00 0.00 H new ATOM 0 HG2 MET A 73 13.695 3.172 10.152 1.00 0.00 H new ATOM 0 HG3 MET A 73 15.051 2.104 9.847 1.00 0.00 H new ATOM 0 HE1 MET A 73 18.169 4.199 10.334 1.00 0.00 H new ATOM 0 HE2 MET A 73 17.418 2.634 9.942 1.00 0.00 H new ATOM 0 HE3 MET A 73 17.468 3.927 8.721 1.00 0.00 H new ATOM 1185 N MET A 74 13.715 -0.081 8.587 1.00 0.00 N ATOM 1186 CA MET A 74 12.891 -1.011 9.352 1.00 0.00 C ATOM 1187 C MET A 74 13.192 -0.903 10.843 1.00 0.00 C ATOM 1188 O MET A 74 14.339 -0.699 11.241 1.00 0.00 O ATOM 1189 CB MET A 74 13.125 -2.445 8.874 1.00 0.00 C ATOM 1190 CG MET A 74 12.296 -2.824 7.658 1.00 0.00 C ATOM 1191 SD MET A 74 11.918 -4.586 7.595 1.00 0.00 S ATOM 1192 CE MET A 74 11.845 -4.854 5.826 1.00 0.00 C ATOM 0 H MET A 74 14.655 -0.420 8.383 1.00 0.00 H new ATOM 0 HA MET A 74 11.845 -0.749 9.191 1.00 0.00 H new ATOM 0 HB2 MET A 74 14.181 -2.572 8.637 1.00 0.00 H new ATOM 0 HB3 MET A 74 12.896 -3.132 9.688 1.00 0.00 H new ATOM 0 HG2 MET A 74 11.365 -2.257 7.667 1.00 0.00 H new ATOM 0 HG3 MET A 74 12.834 -2.539 6.754 1.00 0.00 H new ATOM 0 HE1 MET A 74 10.951 -5.428 5.582 1.00 0.00 H new ATOM 0 HE2 MET A 74 11.810 -3.893 5.313 1.00 0.00 H new ATOM 0 HE3 MET A 74 12.729 -5.405 5.505 1.00 0.00 H new ATOM 1202 N MET A 75 12.156 -1.043 11.664 1.00 0.00 N ATOM 1203 CA MET A 75 12.311 -0.962 13.111 1.00 0.00 C ATOM 1204 C MET A 75 11.488 -2.041 13.807 1.00 0.00 C ATOM 1205 O MET A 75 10.379 -2.361 13.381 1.00 0.00 O ATOM 1206 CB MET A 75 11.890 0.420 13.615 1.00 0.00 C ATOM 1207 CG MET A 75 11.861 0.532 15.130 1.00 0.00 C ATOM 1208 SD MET A 75 11.625 2.227 15.697 1.00 0.00 S ATOM 1209 CE MET A 75 13.291 2.869 15.547 1.00 0.00 C ATOM 0 H MET A 75 11.200 -1.213 11.351 1.00 0.00 H new ATOM 0 HA MET A 75 13.363 -1.122 13.347 1.00 0.00 H new ATOM 0 HB2 MET A 75 12.576 1.167 13.217 1.00 0.00 H new ATOM 0 HB3 MET A 75 10.901 0.655 13.223 1.00 0.00 H new ATOM 0 HG2 MET A 75 11.058 -0.093 15.521 1.00 0.00 H new ATOM 0 HG3 MET A 75 12.795 0.144 15.537 1.00 0.00 H new ATOM 0 HE1 MET A 75 13.309 3.912 15.862 1.00 0.00 H new ATOM 0 HE2 MET A 75 13.963 2.288 16.178 1.00 0.00 H new ATOM 0 HE3 MET A 75 13.616 2.798 14.509 1.00 0.00 H new ATOM 1219 N GLY A 76 12.039 -2.600 14.881 1.00 0.00 N ATOM 1220 CA GLY A 76 11.342 -3.637 15.618 1.00 0.00 C ATOM 1221 C GLY A 76 11.105 -4.881 14.785 1.00 0.00 C ATOM 1222 O GLY A 76 10.264 -5.715 15.123 1.00 0.00 O ATOM 0 H GLY A 76 12.956 -2.353 15.253 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.921 -3.901 16.503 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.385 -3.249 15.967 1.00 0.00 H new ATOM 1226 N THR A 77 11.848 -5.008 13.689 1.00 0.00 N ATOM 1227 CA THR A 77 11.713 -6.157 12.803 1.00 0.00 C ATOM 1228 C THR A 77 12.818 -7.178 13.054 1.00 0.00 C ATOM 1229 O THR A 77 13.528 -7.577 12.131 1.00 0.00 O ATOM 1230 CB THR A 77 11.749 -5.733 11.323 1.00 0.00 C ATOM 1231 OG1 THR A 77 12.926 -4.960 11.063 1.00 0.00 O ATOM 1232 CG2 THR A 77 10.514 -4.921 10.963 1.00 0.00 C ATOM 0 H THR A 77 12.549 -4.329 13.394 1.00 0.00 H new ATOM 0 HA THR A 77 10.746 -6.611 13.020 1.00 0.00 H new ATOM 0 HB THR A 77 11.764 -6.634 10.710 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.298 -5.213 10.192 1.00 0.00 H new ATOM 0 HG21 THR A 77 10.562 -4.633 9.913 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.621 -5.522 11.134 1.00 0.00 H new ATOM 0 HG23 THR A 77 10.474 -4.026 11.584 1.00 0.00 H new ATOM 1240 N ARG A 78 12.956 -7.596 14.308 1.00 0.00 N ATOM 1241 CA ARG A 78 13.976 -8.570 14.680 1.00 0.00 C ATOM 1242 C ARG A 78 13.350 -9.766 15.391 1.00 0.00 C ATOM 1243 O ARG A 78 12.190 -9.721 15.798 1.00 0.00 O ATOM 1244 CB ARG A 78 15.028 -7.920 15.580 1.00 0.00 C ATOM 1245 CG ARG A 78 14.455 -7.334 16.861 1.00 0.00 C ATOM 1246 CD ARG A 78 15.555 -6.963 17.844 1.00 0.00 C ATOM 1247 NE ARG A 78 15.015 -6.459 19.104 1.00 0.00 N ATOM 1248 CZ ARG A 78 15.720 -5.739 19.969 1.00 0.00 C ATOM 1249 NH1 ARG A 78 16.985 -5.439 19.712 1.00 0.00 N ATOM 1250 NH2 ARG A 78 15.158 -5.317 21.095 1.00 0.00 N ATOM 0 H ARG A 78 12.375 -7.276 15.083 1.00 0.00 H new ATOM 0 HA ARG A 78 14.457 -8.922 13.768 1.00 0.00 H new ATOM 0 HB2 ARG A 78 15.784 -8.663 15.836 1.00 0.00 H new ATOM 0 HB3 ARG A 78 15.533 -7.131 15.023 1.00 0.00 H new ATOM 0 HG2 ARG A 78 13.863 -6.450 16.625 1.00 0.00 H new ATOM 0 HG3 ARG A 78 13.781 -8.055 17.323 1.00 0.00 H new ATOM 0 HD2 ARG A 78 16.176 -7.837 18.040 1.00 0.00 H new ATOM 0 HD3 ARG A 78 16.200 -6.206 17.398 1.00 0.00 H new ATOM 0 HE ARG A 78 14.044 -6.672 19.332 1.00 0.00 H new ATOM 0 HH11 ARG A 78 17.420 -5.761 18.848 1.00 0.00 H new ATOM 0 HH12 ARG A 78 17.524 -4.886 20.379 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.185 -5.546 21.296 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.700 -4.764 21.759 1.00 0.00 H new ATOM 1264 N GLU A 79 14.128 -10.835 15.536 1.00 0.00 N ATOM 1265 CA GLU A 79 13.649 -12.043 16.197 1.00 0.00 C ATOM 1266 C GLU A 79 14.132 -12.100 17.643 1.00 0.00 C ATOM 1267 O GLU A 79 15.332 -12.044 17.910 1.00 0.00 O ATOM 1268 CB GLU A 79 14.122 -13.287 15.440 1.00 0.00 C ATOM 1269 CG GLU A 79 13.629 -14.591 16.045 1.00 0.00 C ATOM 1270 CD GLU A 79 14.482 -15.052 17.210 1.00 0.00 C ATOM 1271 OE1 GLU A 79 15.708 -14.816 17.179 1.00 0.00 O ATOM 1272 OE2 GLU A 79 13.923 -15.649 18.154 1.00 0.00 O ATOM 0 H GLU A 79 15.091 -10.888 15.205 1.00 0.00 H new ATOM 0 HA GLU A 79 12.559 -12.019 16.197 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.782 -13.224 14.406 1.00 0.00 H new ATOM 0 HB3 GLU A 79 15.212 -13.296 15.417 1.00 0.00 H new ATOM 0 HG2 GLU A 79 12.600 -14.465 16.381 1.00 0.00 H new ATOM 0 HG3 GLU A 79 13.622 -15.364 15.277 1.00 0.00 H new ATOM 1279 N GLU A 80 13.188 -12.212 18.572 1.00 0.00 N ATOM 1280 CA GLU A 80 13.517 -12.275 19.991 1.00 0.00 C ATOM 1281 C GLU A 80 12.872 -13.494 20.646 1.00 0.00 C ATOM 1282 O GLU A 80 11.958 -14.100 20.088 1.00 0.00 O ATOM 1283 CB GLU A 80 13.059 -10.999 20.701 1.00 0.00 C ATOM 1284 CG GLU A 80 11.569 -10.733 20.574 1.00 0.00 C ATOM 1285 CD GLU A 80 10.747 -11.531 21.568 1.00 0.00 C ATOM 1286 OE1 GLU A 80 10.858 -11.261 22.782 1.00 0.00 O ATOM 1287 OE2 GLU A 80 9.993 -12.426 21.131 1.00 0.00 O ATOM 0 H GLU A 80 12.190 -12.261 18.368 1.00 0.00 H new ATOM 0 HA GLU A 80 14.599 -12.365 20.083 1.00 0.00 H new ATOM 0 HB2 GLU A 80 13.318 -11.068 21.757 1.00 0.00 H new ATOM 0 HB3 GLU A 80 13.607 -10.150 20.293 1.00 0.00 H new ATOM 0 HG2 GLU A 80 11.380 -9.670 20.722 1.00 0.00 H new ATOM 0 HG3 GLU A 80 11.245 -10.976 19.562 1.00 0.00 H new ATOM 1294 N SER A 81 13.356 -13.846 21.833 1.00 0.00 N ATOM 1295 CA SER A 81 12.831 -14.994 22.562 1.00 0.00 C ATOM 1296 C SER A 81 11.481 -14.666 23.193 1.00 0.00 C ATOM 1297 O SER A 81 10.720 -15.561 23.556 1.00 0.00 O ATOM 1298 CB SER A 81 13.819 -15.433 23.645 1.00 0.00 C ATOM 1299 OG SER A 81 13.787 -14.550 24.753 1.00 0.00 O ATOM 0 H SER A 81 14.111 -13.353 22.310 1.00 0.00 H new ATOM 0 HA SER A 81 12.693 -15.811 21.853 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.577 -16.444 23.974 1.00 0.00 H new ATOM 0 HB3 SER A 81 14.827 -15.465 23.231 1.00 0.00 H new ATOM 0 HG SER A 81 14.426 -14.853 25.432 1.00 0.00 H new TER 1305 SER A 81