USER MOD reduce.3.24.130724 H: found=0, std=0, add=298, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 297 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 NoAdj-H: A 13 LYS H : A 13 LYS N : A 11 LEU O :(H bumps) USER MOD Set 1.1: A 4 SER OG : rot 180:sc= 0.963 USER MOD Set 1.2: A 9 SER OG : rot 99:sc= 1.13 USER MOD Single : A 5 GLN : amide:sc= -3.52 K(o=-3.5,f=-7.5!) USER MOD Single : A 7 THR OG1 : rot 48:sc= 0.868 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -130:sc= -2.32! (180deg=-3.77!) USER MOD Single : A 23 ASN : amide:sc= -19.7! C(o=-20!,f=-23!) USER MOD Single : A 24 GLN : amide:sc= -0.118 K(o=-0.12,f=-0.73) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.232 K(o=-0.23,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -12.286 7.235 -6.959 1.00 0.00 N ATOM 2 CA PRO A 1 -11.900 8.521 -6.419 1.00 0.00 C ATOM 3 C PRO A 1 -11.201 8.324 -5.082 1.00 0.00 C ATOM 4 O PRO A 1 -11.189 7.220 -4.541 1.00 0.00 O ATOM 5 CB PRO A 1 -13.213 9.282 -6.243 1.00 0.00 C ATOM 6 CG PRO A 1 -14.218 8.163 -5.974 1.00 0.00 C ATOM 7 CD PRO A 1 -13.717 7.038 -6.876 1.00 0.00 C ATOM 0 H2 PRO A 1 -11.808 6.492 -6.449 1.00 0.00 H new ATOM 0 H3 PRO A 1 -11.987 7.169 -7.932 1.00 0.00 H new ATOM 0 HA PRO A 1 -11.207 9.061 -7.064 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -13.163 9.989 -5.415 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -13.472 9.853 -7.134 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -14.224 7.868 -4.925 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -15.235 8.463 -6.227 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -13.957 6.060 -6.458 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -14.180 7.086 -7.862 1.00 0.00 H new ATOM 15 N PRO A 2 -10.615 9.399 -4.549 1.00 0.00 N ATOM 16 CA PRO A 2 -9.905 9.400 -3.288 1.00 0.00 C ATOM 17 C PRO A 2 -10.900 9.287 -2.142 1.00 0.00 C ATOM 18 O PRO A 2 -11.748 10.160 -1.964 1.00 0.00 O ATOM 19 CB PRO A 2 -9.177 10.742 -3.250 1.00 0.00 C ATOM 20 CG PRO A 2 -10.096 11.649 -4.066 1.00 0.00 C ATOM 21 CD PRO A 2 -10.609 10.712 -5.157 1.00 0.00 C ATOM 0 HA PRO A 2 -9.211 8.565 -3.191 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -9.052 11.105 -2.230 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -8.182 10.675 -3.689 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -10.909 12.051 -3.462 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -9.558 12.500 -4.483 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -11.608 10.999 -5.487 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -9.964 10.738 -6.035 1.00 0.00 H new ATOM 29 N LEU A 3 -10.797 8.207 -1.364 1.00 0.00 N ATOM 30 CA LEU A 3 -11.688 7.985 -0.242 1.00 0.00 C ATOM 31 C LEU A 3 -11.505 6.570 0.290 1.00 0.00 C ATOM 32 O LEU A 3 -11.338 5.631 -0.484 1.00 0.00 O ATOM 33 CB LEU A 3 -13.130 8.214 -0.684 1.00 0.00 C ATOM 34 CG LEU A 3 -13.703 9.419 0.055 1.00 0.00 C ATOM 35 CD1 LEU A 3 -14.494 10.286 -0.921 1.00 0.00 C ATOM 36 CD2 LEU A 3 -14.626 8.939 1.172 1.00 0.00 C ATOM 0 H LEU A 3 -10.100 7.475 -1.498 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.452 8.686 0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.169 8.382 -1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -13.730 7.328 -0.477 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.889 10.004 0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -14.904 11.147 -0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -13.835 10.629 -1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -15.309 9.702 -1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -15.036 9.800 1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -15.440 8.354 0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -14.062 8.320 1.869 1.00 0.00 H new ATOM 48 N SER A 4 -11.538 6.421 1.616 1.00 0.00 N ATOM 49 CA SER A 4 -11.378 5.124 2.242 1.00 0.00 C ATOM 50 C SER A 4 -11.987 5.145 3.637 1.00 0.00 C ATOM 51 O SER A 4 -11.530 5.885 4.506 1.00 0.00 O ATOM 52 CB SER A 4 -9.895 4.770 2.305 1.00 0.00 C ATOM 53 OG SER A 4 -9.596 4.224 3.570 1.00 0.00 O ATOM 0 H SER A 4 -11.675 7.190 2.271 1.00 0.00 H new ATOM 0 HA SER A 4 -11.895 4.366 1.653 1.00 0.00 H new ATOM 0 HB2 SER A 4 -9.647 4.055 1.521 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.290 5.659 2.129 1.00 0.00 H new ATOM 0 HG SER A 4 -8.644 3.995 3.611 1.00 0.00 H new ATOM 59 N GLN A 5 -13.022 4.329 3.851 1.00 0.00 N ATOM 60 CA GLN A 5 -13.686 4.258 5.136 1.00 0.00 C ATOM 61 C GLN A 5 -14.237 2.856 5.357 1.00 0.00 C ATOM 62 O GLN A 5 -13.551 1.996 5.903 1.00 0.00 O ATOM 63 CB GLN A 5 -14.806 5.293 5.185 1.00 0.00 C ATOM 64 CG GLN A 5 -15.111 5.646 6.638 1.00 0.00 C ATOM 65 CD GLN A 5 -15.858 4.512 7.327 1.00 0.00 C ATOM 66 OE1 GLN A 5 -17.063 4.358 7.143 1.00 0.00 O ATOM 67 NE2 GLN A 5 -15.138 3.718 8.123 1.00 0.00 N ATOM 0 H GLN A 5 -13.413 3.709 3.141 1.00 0.00 H new ATOM 0 HA GLN A 5 -12.972 4.475 5.931 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -14.513 6.188 4.636 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -15.700 4.900 4.700 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -14.182 5.851 7.170 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -15.708 6.557 6.678 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -14.139 3.887 8.244 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -15.587 2.942 8.611 1.00 0.00 H new ATOM 76 N GLU A 6 -15.482 2.628 4.930 1.00 0.00 N ATOM 77 CA GLU A 6 -16.114 1.333 5.082 1.00 0.00 C ATOM 78 C GLU A 6 -16.596 0.827 3.730 1.00 0.00 C ATOM 79 O GLU A 6 -17.695 0.288 3.621 1.00 0.00 O ATOM 80 CB GLU A 6 -17.278 1.449 6.062 1.00 0.00 C ATOM 81 CG GLU A 6 -18.350 2.361 5.473 1.00 0.00 C ATOM 82 CD GLU A 6 -19.285 2.872 6.559 1.00 0.00 C ATOM 83 OE1 GLU A 6 -19.661 2.047 7.419 1.00 0.00 O ATOM 84 OE2 GLU A 6 -19.606 4.080 6.510 1.00 0.00 O ATOM 0 H GLU A 6 -16.066 3.331 4.477 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.392 0.618 5.476 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.696 0.463 6.265 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.928 1.849 7.014 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -17.878 3.204 4.967 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -18.922 1.818 4.721 1.00 0.00 H new ATOM 91 N THR A 7 -15.769 1.002 2.696 1.00 0.00 N ATOM 92 CA THR A 7 -16.117 0.561 1.360 1.00 0.00 C ATOM 93 C THR A 7 -14.898 0.645 0.453 1.00 0.00 C ATOM 94 O THR A 7 -14.141 -0.315 0.334 1.00 0.00 O ATOM 95 CB THR A 7 -17.253 1.424 0.821 1.00 0.00 C ATOM 96 OG1 THR A 7 -18.482 0.760 1.017 1.00 0.00 O ATOM 97 CG2 THR A 7 -17.041 1.671 -0.670 1.00 0.00 C ATOM 0 H THR A 7 -14.854 1.448 2.768 1.00 0.00 H new ATOM 0 HA THR A 7 -16.449 -0.477 1.391 1.00 0.00 H new ATOM 0 HB THR A 7 -17.267 2.377 1.349 1.00 0.00 H new ATOM 0 HG1 THR A 7 -18.532 0.430 1.939 1.00 0.00 H new ATOM 0 HG21 THR A 7 -17.853 2.288 -1.056 1.00 0.00 H new ATOM 0 HG22 THR A 7 -16.091 2.184 -0.822 1.00 0.00 H new ATOM 0 HG23 THR A 7 -17.027 0.718 -1.198 1.00 0.00 H new ATOM 105 N PHE A 8 -14.709 1.800 -0.190 1.00 0.00 N ATOM 106 CA PHE A 8 -13.585 2.003 -1.081 1.00 0.00 C ATOM 107 C PHE A 8 -12.293 1.602 -0.383 1.00 0.00 C ATOM 108 O PHE A 8 -11.281 1.361 -1.036 1.00 0.00 O ATOM 109 CB PHE A 8 -13.537 3.466 -1.512 1.00 0.00 C ATOM 110 CG PHE A 8 -14.317 4.388 -0.606 1.00 0.00 C ATOM 111 CD1 PHE A 8 -14.292 4.193 0.780 1.00 0.00 C ATOM 112 CD2 PHE A 8 -15.069 5.435 -1.152 1.00 0.00 C ATOM 113 CE1 PHE A 8 -15.018 5.045 1.621 1.00 0.00 C ATOM 114 CE2 PHE A 8 -15.794 6.288 -0.311 1.00 0.00 C ATOM 115 CZ PHE A 8 -15.769 6.093 1.075 1.00 0.00 C ATOM 0 H PHE A 8 -15.328 2.606 -0.104 1.00 0.00 H new ATOM 0 HA PHE A 8 -13.702 1.380 -1.968 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -12.498 3.793 -1.542 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -13.928 3.551 -2.526 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -13.712 3.385 1.201 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -15.090 5.585 -2.221 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -14.999 4.894 2.690 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -16.373 7.097 -0.732 1.00 0.00 H new ATOM 0 HZ PHE A 8 -16.329 6.751 1.723 1.00 0.00 H new ATOM 125 N SER A 9 -12.330 1.533 0.950 1.00 0.00 N ATOM 126 CA SER A 9 -11.165 1.161 1.727 1.00 0.00 C ATOM 127 C SER A 9 -10.967 -0.347 1.673 1.00 0.00 C ATOM 128 O SER A 9 -9.854 -0.836 1.851 1.00 0.00 O ATOM 129 CB SER A 9 -11.345 1.632 3.168 1.00 0.00 C ATOM 130 OG SER A 9 -10.111 1.554 3.845 1.00 0.00 O ATOM 0 H SER A 9 -13.161 1.732 1.507 1.00 0.00 H new ATOM 0 HA SER A 9 -10.278 1.638 1.310 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.716 2.657 3.183 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.089 1.016 3.673 1.00 0.00 H new ATOM 0 HG SER A 9 -9.693 2.440 3.866 1.00 0.00 H new ATOM 136 N ASP A 10 -12.052 -1.084 1.425 1.00 0.00 N ATOM 137 CA ASP A 10 -11.992 -2.530 1.349 1.00 0.00 C ATOM 138 C ASP A 10 -11.130 -2.948 0.167 1.00 0.00 C ATOM 139 O ASP A 10 -10.573 -4.044 0.159 1.00 0.00 O ATOM 140 CB ASP A 10 -13.406 -3.090 1.213 1.00 0.00 C ATOM 141 CG ASP A 10 -13.580 -4.340 2.064 1.00 0.00 C ATOM 142 OD1 ASP A 10 -12.784 -5.282 1.859 1.00 0.00 O ATOM 143 OD2 ASP A 10 -14.505 -4.330 2.905 1.00 0.00 O ATOM 0 H ASP A 10 -12.982 -0.693 1.274 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.544 -2.929 2.259 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -14.131 -2.335 1.517 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -13.609 -3.325 0.168 1.00 0.00 H new ATOM 148 N LEU A 11 -11.021 -2.072 -0.835 1.00 0.00 N ATOM 149 CA LEU A 11 -10.229 -2.354 -2.015 1.00 0.00 C ATOM 150 C LEU A 11 -8.780 -1.956 -1.772 1.00 0.00 C ATOM 151 O LEU A 11 -8.034 -2.685 -1.122 1.00 0.00 O ATOM 152 CB LEU A 11 -10.805 -1.595 -3.207 1.00 0.00 C ATOM 153 CG LEU A 11 -11.787 -0.538 -2.710 1.00 0.00 C ATOM 154 CD1 LEU A 11 -12.502 -1.053 -1.464 1.00 0.00 C ATOM 155 CD2 LEU A 11 -11.028 0.741 -2.370 1.00 0.00 C ATOM 0 H LEU A 11 -11.477 -1.160 -0.844 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.260 -3.422 -2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.002 -1.123 -3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.309 -2.286 -3.883 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.521 -0.329 -3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.203 -0.298 -1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.044 -1.967 -1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.769 -1.263 -0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.729 1.497 -2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.294 0.533 -1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.518 1.109 -3.260 1.00 0.00 H new ATOM 167 N TRP A 12 -8.382 -0.794 -2.296 1.00 0.00 N ATOM 168 CA TRP A 12 -7.027 -0.309 -2.129 1.00 0.00 C ATOM 169 C TRP A 12 -6.163 -1.390 -1.494 1.00 0.00 C ATOM 170 O TRP A 12 -4.982 -1.510 -1.811 1.00 0.00 O ATOM 171 CB TRP A 12 -7.040 0.949 -1.265 1.00 0.00 C ATOM 172 CG TRP A 12 -8.266 1.794 -1.402 1.00 0.00 C ATOM 173 CD1 TRP A 12 -8.971 2.319 -0.377 1.00 0.00 C ATOM 174 CD2 TRP A 12 -8.952 2.223 -2.618 1.00 0.00 C ATOM 175 NE1 TRP A 12 -10.038 3.039 -0.870 1.00 0.00 N ATOM 176 CE2 TRP A 12 -10.074 3.013 -2.250 1.00 0.00 C ATOM 177 CE3 TRP A 12 -8.740 2.026 -3.994 1.00 0.00 C ATOM 178 CZ2 TRP A 12 -10.939 3.577 -3.192 1.00 0.00 C ATOM 179 CZ3 TRP A 12 -9.601 2.587 -4.948 1.00 0.00 C ATOM 180 CH2 TRP A 12 -10.699 3.361 -4.552 1.00 0.00 C ATOM 0 H TRP A 12 -8.986 -0.177 -2.839 1.00 0.00 H new ATOM 0 HA TRP A 12 -6.605 -0.062 -3.103 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.933 0.656 -0.221 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -6.169 1.554 -1.517 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -8.735 2.194 0.669 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -10.717 3.530 -0.288 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -7.899 1.432 -4.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -11.782 4.172 -2.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -9.416 2.421 -5.999 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -11.357 3.789 -5.294 1.00 0.00 H new ATOM 191 N LYS A 13 -6.757 -2.178 -0.595 1.00 0.00 N ATOM 192 CA LYS A 13 -6.041 -3.243 0.078 1.00 0.00 C ATOM 193 C LYS A 13 -5.372 -4.146 -0.948 1.00 0.00 C ATOM 194 O LYS A 13 -4.583 -5.018 -0.591 1.00 0.00 O ATOM 195 CB LYS A 13 -7.011 -4.038 0.947 1.00 0.00 C ATOM 196 CG LYS A 13 -6.445 -5.433 1.195 1.00 0.00 C ATOM 197 CD LYS A 13 -7.120 -6.047 2.418 1.00 0.00 C ATOM 198 CE LYS A 13 -6.281 -7.214 2.931 1.00 0.00 C ATOM 199 NZ LYS A 13 -6.872 -7.795 4.146 1.00 0.00 N ATOM 0 HA LYS A 13 -5.267 -2.817 0.716 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.171 -3.525 1.895 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.981 -4.110 0.456 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.609 -6.064 0.321 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.368 -5.377 1.351 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.233 -5.296 3.199 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.121 -6.391 2.159 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.205 -7.979 2.158 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.268 -6.872 3.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.283 -8.586 4.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.922 -7.069 4.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.830 -8.141 3.935 1.00 0.00 H new ATOM 213 N LEU A 14 -5.689 -3.935 -2.228 1.00 0.00 N ATOM 214 CA LEU A 14 -5.120 -4.729 -3.298 1.00 0.00 C ATOM 215 C LEU A 14 -3.762 -4.165 -3.694 1.00 0.00 C ATOM 216 O LEU A 14 -2.817 -4.917 -3.920 1.00 0.00 O ATOM 217 CB LEU A 14 -6.072 -4.732 -4.491 1.00 0.00 C ATOM 218 CG LEU A 14 -6.726 -3.360 -4.622 1.00 0.00 C ATOM 219 CD1 LEU A 14 -7.894 -3.257 -3.645 1.00 0.00 C ATOM 220 CD2 LEU A 14 -5.701 -2.275 -4.306 1.00 0.00 C ATOM 0 H LEU A 14 -6.341 -3.215 -2.540 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.980 -5.755 -2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.528 -4.976 -5.403 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.835 -5.499 -4.359 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.092 -3.228 -5.640 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.361 -2.277 -3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.627 -4.031 -3.871 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.529 -3.389 -2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.168 -1.295 -4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.334 -2.406 -3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.867 -2.348 -5.004 1.00 0.00 H new ATOM 232 N LEU A 15 -3.668 -2.835 -3.776 1.00 0.00 N ATOM 233 CA LEU A 15 -2.430 -2.178 -4.143 1.00 0.00 C ATOM 234 C LEU A 15 -1.370 -2.444 -3.083 1.00 0.00 C ATOM 235 O LEU A 15 -0.179 -2.283 -3.338 1.00 0.00 O ATOM 236 CB LEU A 15 -2.676 -0.680 -4.296 1.00 0.00 C ATOM 237 CG LEU A 15 -2.957 -0.358 -5.761 1.00 0.00 C ATOM 238 CD1 LEU A 15 -1.661 0.065 -6.447 1.00 0.00 C ATOM 239 CD2 LEU A 15 -3.519 -1.596 -6.455 1.00 0.00 C ATOM 0 H LEU A 15 -4.443 -2.198 -3.591 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.072 -2.574 -5.094 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.519 -0.374 -3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.807 -0.121 -3.950 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.682 0.454 -5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.862 0.295 -7.493 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.259 0.949 -5.952 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.936 -0.746 -6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.720 -1.367 -7.501 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.794 -2.408 -6.394 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.445 -1.899 -5.966 1.00 0.00 H new ATOM 251 N LYS A 16 -1.807 -2.853 -1.889 1.00 0.00 N ATOM 252 CA LYS A 16 -0.895 -3.138 -0.800 1.00 0.00 C ATOM 253 C LYS A 16 0.233 -4.035 -1.290 1.00 0.00 C ATOM 254 O LYS A 16 1.393 -3.630 -1.296 1.00 0.00 O ATOM 255 CB LYS A 16 -1.659 -3.805 0.340 1.00 0.00 C ATOM 256 CG LYS A 16 -0.744 -4.796 1.054 1.00 0.00 C ATOM 257 CD LYS A 16 -0.859 -6.165 0.390 1.00 0.00 C ATOM 258 CE LYS A 16 -2.318 -6.435 0.030 1.00 0.00 C ATOM 259 NZ LYS A 16 -2.601 -7.878 0.021 1.00 0.00 N ATOM 0 H LYS A 16 -2.791 -2.992 -1.661 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.459 -2.208 -0.434 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.016 -3.052 1.043 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.538 -4.320 -0.049 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.288 -4.447 1.016 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.018 -4.867 2.107 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.240 -6.199 -0.506 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.490 -6.939 1.062 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.971 -5.937 0.747 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.539 -6.012 -0.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.599 -8.035 -0.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.993 -8.347 -0.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.412 -8.275 0.964 1.00 0.00 H new ATOM 273 N LYS A 17 -0.110 -5.258 -1.701 1.00 0.00 N ATOM 274 CA LYS A 17 0.874 -6.203 -2.190 1.00 0.00 C ATOM 275 C LYS A 17 1.791 -5.522 -3.196 1.00 0.00 C ATOM 276 O LYS A 17 2.935 -5.933 -3.373 1.00 0.00 O ATOM 277 CB LYS A 17 0.162 -7.393 -2.827 1.00 0.00 C ATOM 278 CG LYS A 17 1.138 -8.148 -3.724 1.00 0.00 C ATOM 279 CD LYS A 17 1.665 -9.375 -2.986 1.00 0.00 C ATOM 280 CE LYS A 17 2.165 -8.962 -1.605 1.00 0.00 C ATOM 281 NZ LYS A 17 2.602 -10.133 -0.830 1.00 0.00 N ATOM 0 H LYS A 17 -1.067 -5.610 -1.701 1.00 0.00 H new ATOM 0 HA LYS A 17 1.483 -6.561 -1.360 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.225 -8.056 -2.053 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.693 -7.050 -3.409 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.641 -8.451 -4.646 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.966 -7.498 -4.007 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.877 -10.122 -2.891 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.473 -9.835 -3.554 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.993 -8.261 -1.709 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.372 -8.441 -1.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.937 -9.825 0.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.804 -10.789 -0.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.374 -10.614 -1.334 1.00 0.00 H new ATOM 295 N TRP A 18 1.286 -4.477 -3.856 1.00 0.00 N ATOM 296 CA TRP A 18 2.064 -3.748 -4.837 1.00 0.00 C ATOM 297 C TRP A 18 2.346 -2.340 -4.333 1.00 0.00 C ATOM 298 O TRP A 18 3.170 -1.628 -4.901 1.00 0.00 O ATOM 299 CB TRP A 18 1.304 -3.707 -6.159 1.00 0.00 C ATOM 300 CG TRP A 18 -0.162 -3.983 -6.052 1.00 0.00 C ATOM 301 CD1 TRP A 18 -1.143 -3.079 -6.260 1.00 0.00 C ATOM 302 CD2 TRP A 18 -0.837 -5.233 -5.713 1.00 0.00 C ATOM 303 NE1 TRP A 18 -2.371 -3.679 -6.074 1.00 0.00 N ATOM 304 CE2 TRP A 18 -2.240 -5.010 -5.734 1.00 0.00 C ATOM 305 CE3 TRP A 18 -0.406 -6.532 -5.389 1.00 0.00 C ATOM 306 CZ2 TRP A 18 -3.166 -6.018 -5.451 1.00 0.00 C ATOM 307 CZ3 TRP A 18 -1.327 -7.551 -5.103 1.00 0.00 C ATOM 308 CH2 TRP A 18 -2.703 -7.298 -5.133 1.00 0.00 C ATOM 0 H TRP A 18 0.339 -4.123 -3.722 1.00 0.00 H new ATOM 0 HA TRP A 18 3.018 -4.252 -4.996 1.00 0.00 H new ATOM 0 HB2 TRP A 18 1.442 -2.724 -6.610 1.00 0.00 H new ATOM 0 HB3 TRP A 18 1.747 -4.435 -6.839 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -0.990 -2.045 -6.531 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.265 -3.198 -6.175 1.00 0.00 H new ATOM 0 HE3 TRP A 18 0.652 -6.749 -5.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -4.226 -5.811 -5.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -0.971 -8.540 -4.857 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -3.405 -8.089 -4.911 1.00 0.00 H new ATOM 319 N LYS A 19 1.657 -1.940 -3.261 1.00 0.00 N ATOM 320 CA LYS A 19 1.837 -0.621 -2.687 1.00 0.00 C ATOM 321 C LYS A 19 2.637 -0.723 -1.397 1.00 0.00 C ATOM 322 O LYS A 19 2.866 0.281 -0.725 1.00 0.00 O ATOM 323 CB LYS A 19 0.472 0.010 -2.429 1.00 0.00 C ATOM 324 CG LYS A 19 0.647 1.498 -2.137 1.00 0.00 C ATOM 325 CD LYS A 19 -0.234 1.892 -0.955 1.00 0.00 C ATOM 326 CE LYS A 19 0.478 2.954 -0.122 1.00 0.00 C ATOM 327 NZ LYS A 19 -0.283 3.264 1.099 1.00 0.00 N ATOM 0 H LYS A 19 0.970 -2.519 -2.778 1.00 0.00 H new ATOM 0 HA LYS A 19 2.389 0.010 -3.383 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.174 -0.128 -3.296 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.015 -0.482 -1.587 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.692 1.715 -1.914 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.380 2.086 -3.015 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.190 2.275 -1.312 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.450 1.018 -0.341 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.475 2.604 0.146 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.607 3.860 -0.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.222 3.989 1.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.225 3.620 0.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.384 2.403 1.673 1.00 0.00 H new ATOM 341 N MET A 20 3.064 -1.940 -1.051 1.00 0.00 N ATOM 342 CA MET A 20 3.833 -2.163 0.157 1.00 0.00 C ATOM 343 C MET A 20 5.035 -1.230 0.185 1.00 0.00 C ATOM 344 O MET A 20 5.022 -0.176 -0.447 1.00 0.00 O ATOM 345 CB MET A 20 4.280 -3.621 0.211 1.00 0.00 C ATOM 346 CG MET A 20 3.717 -4.279 1.468 1.00 0.00 C ATOM 347 SD MET A 20 4.009 -3.337 2.985 1.00 0.00 S ATOM 348 CE MET A 20 2.393 -2.538 3.145 1.00 0.00 C ATOM 0 H MET A 20 2.885 -2.782 -1.598 1.00 0.00 H new ATOM 0 HA MET A 20 3.215 -1.952 1.030 1.00 0.00 H new ATOM 0 HB2 MET A 20 3.934 -4.152 -0.676 1.00 0.00 H new ATOM 0 HB3 MET A 20 5.368 -3.679 0.213 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.644 -4.421 1.342 1.00 0.00 H new ATOM 0 HG3 MET A 20 4.159 -5.269 1.577 1.00 0.00 H new ATOM 0 HE1 MET A 20 2.530 -1.468 3.301 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.815 -2.701 2.235 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.859 -2.963 3.995 1.00 0.00 H new ATOM 358 N ARG A 21 6.078 -1.621 0.922 1.00 0.00 N ATOM 359 CA ARG A 21 7.281 -0.820 1.030 1.00 0.00 C ATOM 360 C ARG A 21 7.872 -0.588 -0.353 1.00 0.00 C ATOM 361 O ARG A 21 8.945 -0.003 -0.482 1.00 0.00 O ATOM 362 CB ARG A 21 8.284 -1.531 1.934 1.00 0.00 C ATOM 363 CG ARG A 21 8.708 -0.593 3.060 1.00 0.00 C ATOM 364 CD ARG A 21 9.075 -1.413 4.294 1.00 0.00 C ATOM 365 NE ARG A 21 7.918 -2.156 4.794 1.00 0.00 N ATOM 366 CZ ARG A 21 6.982 -1.601 5.576 1.00 0.00 C ATOM 367 NH1 ARG A 21 7.083 -0.313 5.932 1.00 0.00 N ATOM 368 NH2 ARG A 21 5.945 -2.335 6.003 1.00 0.00 N ATOM 0 H ARG A 21 6.105 -2.492 1.451 1.00 0.00 H new ATOM 0 HA ARG A 21 7.040 0.149 1.467 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.839 -2.436 2.348 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.155 -1.840 1.356 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.559 0.010 2.744 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.899 0.098 3.297 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.879 -2.107 4.048 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.452 -0.753 5.075 1.00 0.00 H new ATOM 0 HE ARG A 21 7.820 -3.138 4.536 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.873 0.245 5.608 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.370 0.109 6.527 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.869 -3.316 5.733 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.232 -1.913 6.598 1.00 0.00 H new ATOM 382 N ARG A 22 7.168 -1.048 -1.390 1.00 0.00 N ATOM 383 CA ARG A 22 7.625 -0.890 -2.756 1.00 0.00 C ATOM 384 C ARG A 22 7.284 0.507 -3.255 1.00 0.00 C ATOM 385 O ARG A 22 6.491 0.661 -4.181 1.00 0.00 O ATOM 386 CB ARG A 22 6.972 -1.952 -3.636 1.00 0.00 C ATOM 387 CG ARG A 22 7.573 -3.317 -3.315 1.00 0.00 C ATOM 388 CD ARG A 22 6.864 -3.914 -2.103 1.00 0.00 C ATOM 389 NE ARG A 22 7.762 -3.984 -0.951 1.00 0.00 N ATOM 390 CZ ARG A 22 7.556 -4.814 0.081 1.00 0.00 C ATOM 391 NH1 ARG A 22 6.491 -5.627 0.084 1.00 0.00 N ATOM 392 NH2 ARG A 22 8.415 -4.832 1.109 1.00 0.00 N ATOM 0 H ARG A 22 6.276 -1.534 -1.300 1.00 0.00 H new ATOM 0 HA ARG A 22 8.707 -1.016 -2.799 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.895 -1.968 -3.467 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.126 -1.713 -4.688 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.471 -3.982 -4.173 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.640 -3.218 -3.113 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.993 -3.309 -1.853 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.500 -4.912 -2.346 1.00 0.00 H new ATOM 0 HE ARG A 22 8.580 -3.375 -0.932 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.837 -5.614 -0.699 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.334 -6.259 0.869 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.226 -4.214 1.107 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.258 -5.464 1.894 1.00 0.00 H new ATOM 406 N ASN A 23 7.886 1.527 -2.638 1.00 0.00 N ATOM 407 CA ASN A 23 7.643 2.902 -3.024 1.00 0.00 C ATOM 408 C ASN A 23 8.773 3.398 -3.916 1.00 0.00 C ATOM 409 O ASN A 23 8.757 3.173 -5.124 1.00 0.00 O ATOM 410 CB ASN A 23 7.525 3.767 -1.772 1.00 0.00 C ATOM 411 CG ASN A 23 7.607 5.246 -2.123 1.00 0.00 C ATOM 412 OD1 ASN A 23 8.572 5.917 -1.765 1.00 0.00 O ATOM 413 ND2 ASN A 23 6.593 5.752 -2.828 1.00 0.00 N ATOM 0 H ASN A 23 8.546 1.417 -1.868 1.00 0.00 H new ATOM 0 HA ASN A 23 6.711 2.965 -3.585 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.580 3.560 -1.270 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.320 3.511 -1.072 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.597 6.737 -3.093 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.814 5.154 -3.102 1.00 0.00 H new ATOM 420 N GLN A 24 9.755 4.075 -3.317 1.00 0.00 N ATOM 421 CA GLN A 24 10.885 4.599 -4.058 1.00 0.00 C ATOM 422 C GLN A 24 12.075 4.778 -3.127 1.00 0.00 C ATOM 423 O GLN A 24 13.127 4.177 -3.337 1.00 0.00 O ATOM 424 CB GLN A 24 10.497 5.927 -4.702 1.00 0.00 C ATOM 425 CG GLN A 24 11.035 5.978 -6.128 1.00 0.00 C ATOM 426 CD GLN A 24 11.332 7.412 -6.545 1.00 0.00 C ATOM 427 OE1 GLN A 24 11.894 8.182 -5.770 1.00 0.00 O ATOM 428 NE2 GLN A 24 10.953 7.768 -7.775 1.00 0.00 N ATOM 0 H GLN A 24 9.783 4.269 -2.316 1.00 0.00 H new ATOM 0 HA GLN A 24 11.167 3.898 -4.843 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.413 6.038 -4.707 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.899 6.756 -4.120 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.942 5.379 -6.200 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.308 5.539 -6.811 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.489 7.092 -8.382 1.00 0.00 H new ATOM 0 HE22 GLN A 24 11.127 8.716 -8.108 1.00 0.00 H new ATOM 437 N PHE A 25 11.909 5.608 -2.094 1.00 0.00 N ATOM 438 CA PHE A 25 12.969 5.859 -1.139 1.00 0.00 C ATOM 439 C PHE A 25 12.962 4.781 -0.064 1.00 0.00 C ATOM 440 O PHE A 25 14.012 4.414 0.457 1.00 0.00 O ATOM 441 CB PHE A 25 12.778 7.241 -0.521 1.00 0.00 C ATOM 442 CG PHE A 25 13.556 7.443 0.757 1.00 0.00 C ATOM 443 CD1 PHE A 25 13.285 6.644 1.875 1.00 0.00 C ATOM 444 CD2 PHE A 25 14.546 8.431 0.826 1.00 0.00 C ATOM 445 CE1 PHE A 25 14.005 6.832 3.061 1.00 0.00 C ATOM 446 CE2 PHE A 25 15.265 8.619 2.012 1.00 0.00 C ATOM 447 CZ PHE A 25 14.995 7.820 3.129 1.00 0.00 C ATOM 0 H PHE A 25 11.044 6.115 -1.905 1.00 0.00 H new ATOM 0 HA PHE A 25 13.934 5.832 -1.645 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.080 7.998 -1.244 1.00 0.00 H new ATOM 0 HB3 PHE A 25 11.718 7.397 -0.320 1.00 0.00 H new ATOM 0 HD1 PHE A 25 12.521 5.883 1.822 1.00 0.00 H new ATOM 0 HD2 PHE A 25 14.755 9.048 -0.036 1.00 0.00 H new ATOM 0 HE1 PHE A 25 13.797 6.215 3.923 1.00 0.00 H new ATOM 0 HE2 PHE A 25 16.029 9.381 2.065 1.00 0.00 H new ATOM 0 HZ PHE A 25 15.550 7.966 4.044 1.00 0.00 H new ATOM 457 N TRP A 26 11.772 4.274 0.269 1.00 0.00 N ATOM 458 CA TRP A 26 11.640 3.242 1.278 1.00 0.00 C ATOM 459 C TRP A 26 11.359 1.902 0.614 1.00 0.00 C ATOM 460 O TRP A 26 10.430 1.197 1.002 1.00 0.00 O ATOM 461 CB TRP A 26 10.516 3.615 2.241 1.00 0.00 C ATOM 462 CG TRP A 26 9.245 4.051 1.586 1.00 0.00 C ATOM 463 CD1 TRP A 26 8.167 3.265 1.372 1.00 0.00 C ATOM 464 CD2 TRP A 26 8.892 5.364 1.052 1.00 0.00 C ATOM 465 NE1 TRP A 26 7.179 3.995 0.747 1.00 0.00 N ATOM 466 CE2 TRP A 26 7.574 5.299 0.525 1.00 0.00 C ATOM 467 CE3 TRP A 26 9.552 6.602 0.958 1.00 0.00 C ATOM 468 CZ2 TRP A 26 6.945 6.400 -0.062 1.00 0.00 C ATOM 469 CZ3 TRP A 26 8.929 7.713 0.371 1.00 0.00 C ATOM 470 CH2 TRP A 26 7.629 7.616 -0.139 1.00 0.00 C ATOM 0 H TRP A 26 10.890 4.568 -0.151 1.00 0.00 H new ATOM 0 HA TRP A 26 12.570 3.157 1.840 1.00 0.00 H new ATOM 0 HB2 TRP A 26 10.303 2.757 2.878 1.00 0.00 H new ATOM 0 HB3 TRP A 26 10.866 4.416 2.892 1.00 0.00 H new ATOM 0 HD1 TRP A 26 8.091 2.224 1.648 1.00 0.00 H new ATOM 0 HE1 TRP A 26 6.269 3.618 0.481 1.00 0.00 H new ATOM 0 HE3 TRP A 26 10.556 6.699 1.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 5.942 6.312 -0.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 9.458 8.653 0.312 1.00 0.00 H new ATOM 0 HH2 TRP A 26 7.157 8.477 -0.590 1.00 0.00 H new ATOM 481 N VAL A 27 12.167 1.551 -0.390 1.00 0.00 N ATOM 482 CA VAL A 27 12.003 0.300 -1.102 1.00 0.00 C ATOM 483 C VAL A 27 13.146 -0.643 -0.755 1.00 0.00 C ATOM 484 O VAL A 27 14.176 -0.645 -1.425 1.00 0.00 O ATOM 485 CB VAL A 27 11.961 0.571 -2.603 1.00 0.00 C ATOM 486 CG1 VAL A 27 10.721 1.395 -2.937 1.00 0.00 C ATOM 487 CG2 VAL A 27 13.211 1.345 -3.014 1.00 0.00 C ATOM 0 H VAL A 27 12.942 2.125 -0.722 1.00 0.00 H new ATOM 0 HA VAL A 27 11.066 -0.172 -0.806 1.00 0.00 H new ATOM 0 HB VAL A 27 11.924 -0.375 -3.142 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.691 1.589 -4.009 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.828 0.844 -2.643 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.757 2.342 -2.398 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.182 1.539 -4.086 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.247 2.291 -2.474 1.00 0.00 H new ATOM 0 HG23 VAL A 27 14.098 0.758 -2.775 1.00 0.00 H new ATOM 497 N LYS A 28 12.962 -1.446 0.295 1.00 0.00 N ATOM 498 CA LYS A 28 13.978 -2.388 0.722 1.00 0.00 C ATOM 499 C LYS A 28 14.981 -1.690 1.630 1.00 0.00 C ATOM 500 O LYS A 28 16.184 -1.914 1.517 1.00 0.00 O ATOM 501 CB LYS A 28 14.674 -2.975 -0.502 1.00 0.00 C ATOM 502 CG LYS A 28 14.747 -4.493 -0.366 1.00 0.00 C ATOM 503 CD LYS A 28 16.055 -4.996 -0.970 1.00 0.00 C ATOM 504 CE LYS A 28 16.138 -4.568 -2.432 1.00 0.00 C ATOM 505 NZ LYS A 28 15.298 -5.427 -3.281 1.00 0.00 N ATOM 0 H LYS A 28 12.114 -1.457 0.861 1.00 0.00 H new ATOM 0 HA LYS A 28 13.514 -3.199 1.283 1.00 0.00 H new ATOM 0 HB2 LYS A 28 14.130 -2.706 -1.407 1.00 0.00 H new ATOM 0 HB3 LYS A 28 15.677 -2.559 -0.598 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.686 -4.778 0.684 1.00 0.00 H new ATOM 0 HG3 LYS A 28 13.899 -4.955 -0.872 1.00 0.00 H new ATOM 0 HD2 LYS A 28 16.903 -4.595 -0.414 1.00 0.00 H new ATOM 0 HD3 LYS A 28 16.109 -6.082 -0.894 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.819 -3.530 -2.530 1.00 0.00 H new ATOM 0 HE3 LYS A 28 17.173 -4.616 -2.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.372 -5.116 -4.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.620 -6.413 -3.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.308 -5.361 -2.970 1.00 0.00 H new ATOM 519 N VAL A 29 14.483 -0.842 2.533 1.00 0.00 N ATOM 520 CA VAL A 29 15.335 -0.117 3.453 1.00 0.00 C ATOM 521 C VAL A 29 15.104 -0.619 4.872 1.00 0.00 C ATOM 522 O VAL A 29 15.281 0.126 5.832 1.00 0.00 O ATOM 523 CB VAL A 29 15.037 1.376 3.353 1.00 0.00 C ATOM 524 CG1 VAL A 29 16.070 2.157 4.159 1.00 0.00 C ATOM 525 CG2 VAL A 29 15.100 1.809 1.891 1.00 0.00 C ATOM 0 H VAL A 29 13.488 -0.646 2.640 1.00 0.00 H new ATOM 0 HA VAL A 29 16.381 -0.283 3.195 1.00 0.00 H new ATOM 0 HB VAL A 29 14.041 1.575 3.750 1.00 0.00 H new ATOM 0 HG11 VAL A 29 15.857 3.224 4.087 1.00 0.00 H new ATOM 0 HG12 VAL A 29 16.026 1.848 5.203 1.00 0.00 H new ATOM 0 HG13 VAL A 29 17.066 1.959 3.763 1.00 0.00 H new ATOM 0 HG21 VAL A 29 14.887 2.876 1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 29 16.096 1.610 1.495 1.00 0.00 H new ATOM 0 HG23 VAL A 29 14.362 1.251 1.314 1.00 0.00 H new ATOM 535 N GLN A 30 14.708 -1.887 5.001 1.00 0.00 N ATOM 536 CA GLN A 30 14.455 -2.480 6.299 1.00 0.00 C ATOM 537 C GLN A 30 14.363 -3.994 6.167 1.00 0.00 C ATOM 538 O GLN A 30 14.049 -4.507 5.096 1.00 0.00 O ATOM 539 CB GLN A 30 13.162 -1.908 6.874 1.00 0.00 C ATOM 540 CG GLN A 30 13.285 -1.796 8.391 1.00 0.00 C ATOM 541 CD GLN A 30 11.932 -1.987 9.061 1.00 0.00 C ATOM 542 OE1 GLN A 30 10.956 -2.343 8.403 1.00 0.00 O ATOM 543 NE2 GLN A 30 11.874 -1.748 10.373 1.00 0.00 N ATOM 0 H GLN A 30 14.557 -2.518 4.214 1.00 0.00 H new ATOM 0 HA GLN A 30 15.275 -2.244 6.977 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.962 -0.928 6.441 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.320 -2.550 6.613 1.00 0.00 H new ATOM 0 HG2 GLN A 30 13.987 -2.545 8.759 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.692 -0.820 8.656 1.00 0.00 H new ATOM 0 HE21 GLN A 30 12.712 -1.454 10.875 1.00 0.00 H new ATOM 0 HE22 GLN A 30 10.992 -1.859 10.873 1.00 0.00 H new ATOM 552 N ARG A 31 14.637 -4.707 7.262 1.00 0.00 N ATOM 553 CA ARG A 31 14.585 -6.155 7.263 1.00 0.00 C ATOM 554 C ARG A 31 13.148 -6.620 7.076 1.00 0.00 C ATOM 555 O ARG A 31 12.214 -5.838 7.243 1.00 0.00 O ATOM 556 CB ARG A 31 15.157 -6.682 8.577 1.00 0.00 C ATOM 557 CG ARG A 31 16.639 -6.997 8.397 1.00 0.00 C ATOM 558 CD ARG A 31 16.865 -8.497 8.565 1.00 0.00 C ATOM 559 NE ARG A 31 17.936 -8.969 7.687 1.00 0.00 N ATOM 560 CZ ARG A 31 17.792 -9.075 6.359 1.00 0.00 C ATOM 561 NH1 ARG A 31 16.629 -8.742 5.782 1.00 0.00 N ATOM 562 NH2 ARG A 31 18.810 -9.515 5.608 1.00 0.00 N ATOM 0 H ARG A 31 14.897 -4.295 8.158 1.00 0.00 H new ATOM 0 HA ARG A 31 15.182 -6.545 6.439 1.00 0.00 H new ATOM 0 HB2 ARG A 31 15.025 -5.942 9.366 1.00 0.00 H new ATOM 0 HB3 ARG A 31 14.619 -7.578 8.887 1.00 0.00 H new ATOM 0 HG2 ARG A 31 16.972 -6.677 7.410 1.00 0.00 H new ATOM 0 HG3 ARG A 31 17.230 -6.445 9.128 1.00 0.00 H new ATOM 0 HD2 ARG A 31 17.118 -8.716 9.602 1.00 0.00 H new ATOM 0 HD3 ARG A 31 15.943 -9.034 8.341 1.00 0.00 H new ATOM 0 HE ARG A 31 18.830 -9.228 8.103 1.00 0.00 H new ATOM 0 HH11 ARG A 31 15.853 -8.408 6.354 1.00 0.00 H new ATOM 0 HH12 ARG A 31 16.520 -8.823 4.771 1.00 0.00 H new ATOM 0 HH21 ARG A 31 19.695 -9.769 6.047 1.00 0.00 H new ATOM 0 HH22 ARG A 31 18.700 -9.596 4.597 1.00 0.00 H new ATOM 576 N GLY A 32 12.971 -7.897 6.729 1.00 0.00 N ATOM 577 CA GLY A 32 11.648 -8.452 6.523 1.00 0.00 C ATOM 578 C GLY A 32 11.416 -8.727 5.043 1.00 0.00 C ATOM 579 O GLY A 32 11.404 -7.804 4.232 1.00 0.00 O ATOM 0 H GLY A 32 13.733 -8.560 6.587 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.540 -9.375 7.093 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.893 -7.759 6.894 1.00 0.00 H new TER 583 GLY A 32