USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 594 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.253 K(o=-0.25,f=-3!) USER MOD Single : A 9 GLN : amide:sc= -0.0686 K(o=-0.069,f=-1.8!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.635 K(o=-0.64,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 163:sc= -2.51! (180deg=-2.75!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.0162 K(o=-0.016,f=-1.6!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0119) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1.31 K(o=-1.3,f=-7.5!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.65 K(o=-0.65,f=-3.4!) USER MOD Single : A 56 GLN : amide:sc= -0.0181 K(o=-0.018,f=-1.4!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 163:sc=-0.00839 (180deg=-0.168) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0362 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 66:sc= -0.594 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.745 -0.126 -7.964 1.00 0.00 N ATOM 2 CA GLY A 1 17.615 -0.920 -8.411 1.00 0.00 C ATOM 3 C GLY A 1 16.332 -0.564 -7.686 1.00 0.00 C ATOM 4 O GLY A 1 15.292 -0.364 -8.313 1.00 0.00 O ATOM 0 H1 GLY A 1 19.597 -0.408 -8.490 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.550 0.881 -8.134 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.898 -0.282 -6.947 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.475 -0.776 -9.482 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.834 -1.977 -8.257 1.00 0.00 H new ATOM 8 N SER A 2 16.405 -0.485 -6.362 1.00 0.00 N ATOM 9 CA SER A 2 15.240 -0.156 -5.550 1.00 0.00 C ATOM 10 C SER A 2 15.409 1.206 -4.883 1.00 0.00 C ATOM 11 O SER A 2 16.483 1.532 -4.377 1.00 0.00 O ATOM 12 CB SER A 2 15.011 -1.233 -4.487 1.00 0.00 C ATOM 13 OG SER A 2 14.618 -2.458 -5.080 1.00 0.00 O ATOM 0 H SER A 2 17.259 -0.644 -5.828 1.00 0.00 H new ATOM 0 HA SER A 2 14.371 -0.114 -6.207 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.925 -1.381 -3.911 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.244 -0.901 -3.788 1.00 0.00 H new ATOM 0 HG SER A 2 14.479 -3.130 -4.381 1.00 0.00 H new ATOM 19 N SER A 3 14.341 1.996 -4.885 1.00 0.00 N ATOM 20 CA SER A 3 14.371 3.324 -4.284 1.00 0.00 C ATOM 21 C SER A 3 13.164 3.537 -3.375 1.00 0.00 C ATOM 22 O SER A 3 12.225 2.742 -3.375 1.00 0.00 O ATOM 23 CB SER A 3 14.400 4.399 -5.372 1.00 0.00 C ATOM 24 OG SER A 3 15.665 4.448 -6.008 1.00 0.00 O ATOM 0 H SER A 3 13.444 1.740 -5.296 1.00 0.00 H new ATOM 0 HA SER A 3 15.276 3.402 -3.681 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.626 4.193 -6.111 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.172 5.371 -4.934 1.00 0.00 H new ATOM 0 HG SER A 3 15.657 5.142 -6.700 1.00 0.00 H new ATOM 30 N GLY A 4 13.197 4.617 -2.600 1.00 0.00 N ATOM 31 CA GLY A 4 12.102 4.916 -1.697 1.00 0.00 C ATOM 32 C GLY A 4 12.156 4.090 -0.427 1.00 0.00 C ATOM 33 O GLY A 4 11.349 3.180 -0.235 1.00 0.00 O ATOM 0 H GLY A 4 13.963 5.290 -2.582 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.126 5.975 -1.439 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.155 4.733 -2.206 1.00 0.00 H new ATOM 37 N SER A 5 13.111 4.406 0.442 1.00 0.00 N ATOM 38 CA SER A 5 13.270 3.683 1.699 1.00 0.00 C ATOM 39 C SER A 5 13.220 4.639 2.886 1.00 0.00 C ATOM 40 O SER A 5 12.563 4.366 3.890 1.00 0.00 O ATOM 41 CB SER A 5 14.593 2.914 1.704 1.00 0.00 C ATOM 42 OG SER A 5 14.617 1.948 2.740 1.00 0.00 O ATOM 0 H SER A 5 13.786 5.157 0.299 1.00 0.00 H new ATOM 0 HA SER A 5 12.446 2.976 1.790 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.736 2.423 0.741 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.422 3.610 1.832 1.00 0.00 H new ATOM 0 HG SER A 5 15.472 1.469 2.721 1.00 0.00 H new ATOM 48 N SER A 6 13.919 5.763 2.763 1.00 0.00 N ATOM 49 CA SER A 6 13.958 6.759 3.827 1.00 0.00 C ATOM 50 C SER A 6 12.577 6.945 4.448 1.00 0.00 C ATOM 51 O SER A 6 11.564 6.929 3.752 1.00 0.00 O ATOM 52 CB SER A 6 14.470 8.095 3.285 1.00 0.00 C ATOM 53 OG SER A 6 14.727 9.008 4.338 1.00 0.00 O ATOM 0 H SER A 6 14.466 6.006 1.937 1.00 0.00 H new ATOM 0 HA SER A 6 14.640 6.403 4.600 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.382 7.932 2.710 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.734 8.520 2.602 1.00 0.00 H new ATOM 0 HG SER A 6 15.055 9.853 3.966 1.00 0.00 H new ATOM 59 N GLY A 7 12.547 7.121 5.766 1.00 0.00 N ATOM 60 CA GLY A 7 11.286 7.308 6.460 1.00 0.00 C ATOM 61 C GLY A 7 11.127 6.364 7.636 1.00 0.00 C ATOM 62 O GLY A 7 10.754 5.205 7.464 1.00 0.00 O ATOM 0 H GLY A 7 13.373 7.137 6.365 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.218 8.337 6.812 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.464 7.155 5.761 1.00 0.00 H new ATOM 66 N ASN A 8 11.413 6.861 8.835 1.00 0.00 N ATOM 67 CA ASN A 8 11.301 6.053 10.044 1.00 0.00 C ATOM 68 C ASN A 8 9.858 6.007 10.536 1.00 0.00 C ATOM 69 O ASN A 8 9.594 6.154 11.729 1.00 0.00 O ATOM 70 CB ASN A 8 12.208 6.613 11.142 1.00 0.00 C ATOM 71 CG ASN A 8 12.255 8.129 11.136 1.00 0.00 C ATOM 72 OD1 ASN A 8 11.301 8.789 10.724 1.00 0.00 O ATOM 73 ND2 ASN A 8 13.368 8.688 11.596 1.00 0.00 N ATOM 0 H ASN A 8 11.724 7.819 8.995 1.00 0.00 H new ATOM 0 HA ASN A 8 11.617 5.038 9.803 1.00 0.00 H new ATOM 0 HB2 ASN A 8 11.854 6.267 12.113 1.00 0.00 H new ATOM 0 HB3 ASN A 8 13.216 6.220 11.012 1.00 0.00 H new ATOM 0 HD21 ASN A 8 13.457 9.704 11.618 1.00 0.00 H new ATOM 0 HD22 ASN A 8 14.134 8.102 11.928 1.00 0.00 H new ATOM 80 N GLN A 9 8.929 5.800 9.608 1.00 0.00 N ATOM 81 CA GLN A 9 7.512 5.734 9.948 1.00 0.00 C ATOM 82 C GLN A 9 6.871 4.478 9.368 1.00 0.00 C ATOM 83 O GLN A 9 6.479 4.452 8.200 1.00 0.00 O ATOM 84 CB GLN A 9 6.784 6.977 9.434 1.00 0.00 C ATOM 85 CG GLN A 9 6.882 7.160 7.928 1.00 0.00 C ATOM 86 CD GLN A 9 6.610 8.587 7.494 1.00 0.00 C ATOM 87 OE1 GLN A 9 6.503 9.490 8.324 1.00 0.00 O ATOM 88 NE2 GLN A 9 6.497 8.797 6.188 1.00 0.00 N ATOM 0 H GLN A 9 9.132 5.675 8.616 1.00 0.00 H new ATOM 0 HA GLN A 9 7.426 5.695 11.034 1.00 0.00 H new ATOM 0 HB2 GLN A 9 5.733 6.915 9.717 1.00 0.00 H new ATOM 0 HB3 GLN A 9 7.195 7.858 9.926 1.00 0.00 H new ATOM 0 HG2 GLN A 9 7.877 6.866 7.594 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.172 6.494 7.438 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.593 8.018 5.536 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.314 9.737 5.837 1.00 0.00 H new ATOM 97 N LEU A 10 6.768 3.439 10.189 1.00 0.00 N ATOM 98 CA LEU A 10 6.174 2.179 9.757 1.00 0.00 C ATOM 99 C LEU A 10 4.653 2.231 9.857 1.00 0.00 C ATOM 100 O LEU A 10 4.091 3.162 10.432 1.00 0.00 O ATOM 101 CB LEU A 10 6.713 1.023 10.602 1.00 0.00 C ATOM 102 CG LEU A 10 6.649 1.212 12.118 1.00 0.00 C ATOM 103 CD1 LEU A 10 7.928 1.857 12.629 1.00 0.00 C ATOM 104 CD2 LEU A 10 5.438 2.051 12.499 1.00 0.00 C ATOM 0 H LEU A 10 7.088 3.444 11.157 1.00 0.00 H new ATOM 0 HA LEU A 10 6.445 2.016 8.714 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.157 0.121 10.345 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.752 0.848 10.321 1.00 0.00 H new ATOM 0 HG LEU A 10 6.549 0.232 12.584 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.865 1.984 13.710 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.779 1.220 12.388 1.00 0.00 H new ATOM 0 HD13 LEU A 10 8.059 2.831 12.156 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.408 2.176 13.581 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.509 3.029 12.023 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.529 1.550 12.166 1.00 0.00 H new ATOM 116 N TRP A 11 3.994 1.224 9.295 1.00 0.00 N ATOM 117 CA TRP A 11 2.537 1.154 9.322 1.00 0.00 C ATOM 118 C TRP A 11 2.052 0.398 10.554 1.00 0.00 C ATOM 119 O TRP A 11 2.637 -0.613 10.946 1.00 0.00 O ATOM 120 CB TRP A 11 2.015 0.477 8.054 1.00 0.00 C ATOM 121 CG TRP A 11 1.917 1.406 6.882 1.00 0.00 C ATOM 122 CD1 TRP A 11 2.933 2.126 6.320 1.00 0.00 C ATOM 123 CD2 TRP A 11 0.739 1.717 6.130 1.00 0.00 C ATOM 124 NE1 TRP A 11 2.456 2.866 5.265 1.00 0.00 N ATOM 125 CE2 TRP A 11 1.114 2.631 5.127 1.00 0.00 C ATOM 126 CE3 TRP A 11 -0.596 1.309 6.206 1.00 0.00 C ATOM 127 CZ2 TRP A 11 0.201 3.144 4.209 1.00 0.00 C ATOM 128 CZ3 TRP A 11 -1.500 1.820 5.294 1.00 0.00 C ATOM 129 CH2 TRP A 11 -1.099 2.728 4.306 1.00 0.00 C ATOM 0 H TRP A 11 4.445 0.445 8.815 1.00 0.00 H new ATOM 0 HA TRP A 11 2.149 2.172 9.367 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.673 -0.353 7.797 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.031 0.053 8.256 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.960 2.115 6.655 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.012 3.489 4.679 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.915 0.608 6.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 0.508 3.845 3.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.534 1.514 5.344 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.830 3.107 3.607 1.00 0.00 H new ATOM 140 N THR A 12 0.979 0.893 11.163 1.00 0.00 N ATOM 141 CA THR A 12 0.415 0.264 12.351 1.00 0.00 C ATOM 142 C THR A 12 -0.515 -0.884 11.976 1.00 0.00 C ATOM 143 O THR A 12 -1.271 -0.794 11.009 1.00 0.00 O ATOM 144 CB THR A 12 -0.361 1.280 13.209 1.00 0.00 C ATOM 145 OG1 THR A 12 -0.842 0.648 14.401 1.00 0.00 O ATOM 146 CG2 THR A 12 -1.531 1.863 12.431 1.00 0.00 C ATOM 0 H THR A 12 0.483 1.728 10.853 1.00 0.00 H new ATOM 0 HA THR A 12 1.252 -0.125 12.931 1.00 0.00 H new ATOM 0 HB THR A 12 0.317 2.090 13.476 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.333 1.301 14.942 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.064 2.578 13.057 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.160 2.368 11.539 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.209 1.061 12.138 1.00 0.00 H new ATOM 154 N VAL A 13 -0.455 -1.965 12.749 1.00 0.00 N ATOM 155 CA VAL A 13 -1.294 -3.131 12.499 1.00 0.00 C ATOM 156 C VAL A 13 -2.654 -2.721 11.946 1.00 0.00 C ATOM 157 O VAL A 13 -3.119 -3.267 10.947 1.00 0.00 O ATOM 158 CB VAL A 13 -1.501 -3.958 13.782 1.00 0.00 C ATOM 159 CG1 VAL A 13 -2.459 -5.111 13.524 1.00 0.00 C ATOM 160 CG2 VAL A 13 -0.168 -4.469 14.307 1.00 0.00 C ATOM 0 H VAL A 13 0.166 -2.057 13.553 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.775 -3.743 11.761 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.942 -3.313 14.543 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.594 -5.684 14.441 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.422 -4.718 13.197 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.049 -5.758 12.748 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.333 -5.051 15.214 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.303 -5.099 13.552 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.483 -3.624 14.532 1.00 0.00 H new ATOM 170 N GLU A 14 -3.287 -1.755 12.604 1.00 0.00 N ATOM 171 CA GLU A 14 -4.595 -1.272 12.178 1.00 0.00 C ATOM 172 C GLU A 14 -4.563 -0.830 10.718 1.00 0.00 C ATOM 173 O GLU A 14 -5.382 -1.267 9.909 1.00 0.00 O ATOM 174 CB GLU A 14 -5.048 -0.109 13.064 1.00 0.00 C ATOM 175 CG GLU A 14 -5.372 -0.520 14.490 1.00 0.00 C ATOM 176 CD GLU A 14 -6.752 -1.135 14.620 1.00 0.00 C ATOM 177 OE1 GLU A 14 -7.659 -0.721 13.869 1.00 0.00 O ATOM 178 OE2 GLU A 14 -6.925 -2.031 15.473 1.00 0.00 O ATOM 0 H GLU A 14 -2.916 -1.292 13.433 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.306 -2.093 12.276 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.265 0.649 13.082 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.929 0.354 12.619 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.626 -1.235 14.837 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.304 0.352 15.140 1.00 0.00 H new ATOM 185 N GLU A 15 -3.612 0.038 10.389 1.00 0.00 N ATOM 186 CA GLU A 15 -3.474 0.540 9.027 1.00 0.00 C ATOM 187 C GLU A 15 -3.101 -0.587 8.067 1.00 0.00 C ATOM 188 O GLU A 15 -3.732 -0.764 7.026 1.00 0.00 O ATOM 189 CB GLU A 15 -2.417 1.644 8.970 1.00 0.00 C ATOM 190 CG GLU A 15 -2.807 2.899 9.733 1.00 0.00 C ATOM 191 CD GLU A 15 -1.632 3.830 9.963 1.00 0.00 C ATOM 192 OE1 GLU A 15 -0.522 3.329 10.239 1.00 0.00 O ATOM 193 OE2 GLU A 15 -1.823 5.061 9.868 1.00 0.00 O ATOM 0 H GLU A 15 -2.926 0.408 11.047 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.435 0.952 8.721 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.480 1.260 9.374 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.232 1.905 7.928 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.583 3.429 9.181 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.236 2.617 10.694 1.00 0.00 H new ATOM 200 N GLN A 16 -2.070 -1.344 8.427 1.00 0.00 N ATOM 201 CA GLN A 16 -1.611 -2.453 7.598 1.00 0.00 C ATOM 202 C GLN A 16 -2.791 -3.256 7.061 1.00 0.00 C ATOM 203 O GLN A 16 -3.077 -3.235 5.864 1.00 0.00 O ATOM 204 CB GLN A 16 -0.680 -3.365 8.398 1.00 0.00 C ATOM 205 CG GLN A 16 0.667 -2.734 8.714 1.00 0.00 C ATOM 206 CD GLN A 16 1.727 -3.761 9.058 1.00 0.00 C ATOM 207 OE1 GLN A 16 2.668 -3.979 8.294 1.00 0.00 O ATOM 208 NE2 GLN A 16 1.580 -4.400 10.213 1.00 0.00 N ATOM 0 H GLN A 16 -1.537 -1.210 9.286 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.062 -2.038 6.752 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -1.170 -3.642 9.331 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.518 -4.286 7.838 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.999 -2.148 7.857 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.553 -2.042 9.548 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.785 -4.188 10.816 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.262 -5.103 10.497 1.00 0.00 H new ATOM 217 N LYS A 17 -3.473 -3.964 7.954 1.00 0.00 N ATOM 218 CA LYS A 17 -4.623 -4.775 7.572 1.00 0.00 C ATOM 219 C LYS A 17 -5.687 -3.921 6.889 1.00 0.00 C ATOM 220 O LYS A 17 -6.237 -4.305 5.857 1.00 0.00 O ATOM 221 CB LYS A 17 -5.219 -5.464 8.802 1.00 0.00 C ATOM 222 CG LYS A 17 -5.860 -4.503 9.787 1.00 0.00 C ATOM 223 CD LYS A 17 -6.474 -5.239 10.966 1.00 0.00 C ATOM 224 CE LYS A 17 -6.447 -4.391 12.228 1.00 0.00 C ATOM 225 NZ LYS A 17 -7.313 -3.186 12.106 1.00 0.00 N ATOM 0 H LYS A 17 -3.249 -3.993 8.949 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.283 -5.534 6.867 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.965 -6.188 8.476 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.434 -6.023 9.311 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.112 -3.797 10.147 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.629 -3.921 9.280 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.503 -5.510 10.731 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.931 -6.168 11.139 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.777 -4.991 13.076 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.423 -4.082 12.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.499 -2.795 13.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.832 -2.470 11.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.213 -3.449 11.657 1.00 0.00 H new ATOM 239 N LYS A 18 -5.972 -2.762 7.472 1.00 0.00 N ATOM 240 CA LYS A 18 -6.968 -1.852 6.919 1.00 0.00 C ATOM 241 C LYS A 18 -6.773 -1.679 5.416 1.00 0.00 C ATOM 242 O LYS A 18 -7.650 -2.021 4.622 1.00 0.00 O ATOM 243 CB LYS A 18 -6.888 -0.491 7.615 1.00 0.00 C ATOM 244 CG LYS A 18 -7.872 0.530 7.070 1.00 0.00 C ATOM 245 CD LYS A 18 -8.298 1.520 8.141 1.00 0.00 C ATOM 246 CE LYS A 18 -9.595 2.221 7.768 1.00 0.00 C ATOM 247 NZ LYS A 18 -10.789 1.413 8.142 1.00 0.00 N ATOM 0 H LYS A 18 -5.527 -2.430 8.328 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.954 -2.284 7.092 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.071 -0.626 8.681 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.876 -0.099 7.512 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.417 1.067 6.237 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.750 0.017 6.677 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.425 0.999 9.090 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.512 2.261 8.287 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.641 3.189 8.266 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.608 2.414 6.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.653 1.925 7.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.759 0.499 7.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.790 1.250 9.169 1.00 0.00 H new ATOM 261 N LEU A 19 -5.618 -1.147 5.032 1.00 0.00 N ATOM 262 CA LEU A 19 -5.306 -0.930 3.623 1.00 0.00 C ATOM 263 C LEU A 19 -5.661 -2.159 2.792 1.00 0.00 C ATOM 264 O LEU A 19 -6.426 -2.070 1.832 1.00 0.00 O ATOM 265 CB LEU A 19 -3.823 -0.597 3.454 1.00 0.00 C ATOM 266 CG LEU A 19 -3.220 -0.896 2.081 1.00 0.00 C ATOM 267 CD1 LEU A 19 -3.821 0.016 1.024 1.00 0.00 C ATOM 268 CD2 LEU A 19 -1.706 -0.746 2.119 1.00 0.00 C ATOM 0 H LEU A 19 -4.882 -0.858 5.676 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.903 -0.090 3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.683 0.463 3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.259 -1.151 4.205 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.456 -1.927 1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.380 -0.211 0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.899 -0.141 0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.616 1.055 1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.294 -0.963 1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.448 0.274 2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.290 -1.442 2.847 1.00 0.00 H new ATOM 280 N GLU A 20 -5.101 -3.304 3.169 1.00 0.00 N ATOM 281 CA GLU A 20 -5.361 -4.550 2.458 1.00 0.00 C ATOM 282 C GLU A 20 -6.823 -4.638 2.029 1.00 0.00 C ATOM 283 O GLU A 20 -7.126 -5.013 0.897 1.00 0.00 O ATOM 284 CB GLU A 20 -5.003 -5.750 3.339 1.00 0.00 C ATOM 285 CG GLU A 20 -3.522 -5.847 3.662 1.00 0.00 C ATOM 286 CD GLU A 20 -3.138 -7.197 4.236 1.00 0.00 C ATOM 287 OE1 GLU A 20 -3.025 -8.163 3.453 1.00 0.00 O ATOM 288 OE2 GLU A 20 -2.950 -7.287 5.467 1.00 0.00 O ATOM 0 H GLU A 20 -4.465 -3.395 3.962 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.737 -4.565 1.564 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.566 -5.687 4.270 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.318 -6.665 2.837 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.944 -5.663 2.757 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.257 -5.065 4.374 1.00 0.00 H new ATOM 295 N GLN A 21 -7.723 -4.290 2.942 1.00 0.00 N ATOM 296 CA GLN A 21 -9.153 -4.330 2.659 1.00 0.00 C ATOM 297 C GLN A 21 -9.541 -3.246 1.659 1.00 0.00 C ATOM 298 O GLN A 21 -10.190 -3.522 0.650 1.00 0.00 O ATOM 299 CB GLN A 21 -9.955 -4.160 3.951 1.00 0.00 C ATOM 300 CG GLN A 21 -9.756 -5.294 4.944 1.00 0.00 C ATOM 301 CD GLN A 21 -10.581 -6.519 4.603 1.00 0.00 C ATOM 302 OE1 GLN A 21 -11.413 -6.489 3.696 1.00 0.00 O ATOM 303 NE2 GLN A 21 -10.354 -7.607 5.330 1.00 0.00 N ATOM 0 H GLN A 21 -7.488 -3.977 3.884 1.00 0.00 H new ATOM 0 HA GLN A 21 -9.384 -5.301 2.221 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.671 -3.220 4.424 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.014 -4.086 3.704 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.701 -5.567 4.971 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.022 -4.948 5.943 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.655 -7.588 6.072 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.879 -8.462 5.146 1.00 0.00 H new ATOM 312 N LEU A 22 -9.139 -2.013 1.946 1.00 0.00 N ATOM 313 CA LEU A 22 -9.445 -0.886 1.072 1.00 0.00 C ATOM 314 C LEU A 22 -9.045 -1.189 -0.368 1.00 0.00 C ATOM 315 O LEU A 22 -9.801 -0.923 -1.303 1.00 0.00 O ATOM 316 CB LEU A 22 -8.725 0.373 1.559 1.00 0.00 C ATOM 317 CG LEU A 22 -9.197 0.941 2.898 1.00 0.00 C ATOM 318 CD1 LEU A 22 -8.207 1.971 3.419 1.00 0.00 C ATOM 319 CD2 LEU A 22 -10.583 1.553 2.758 1.00 0.00 C ATOM 0 H LEU A 22 -8.600 -1.768 2.777 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.521 -0.717 1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.661 0.152 1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.835 1.147 0.800 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.253 0.125 3.618 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.559 2.364 4.373 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.233 1.502 3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.118 2.786 2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.903 1.952 3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.553 2.357 2.023 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.287 0.788 2.430 1.00 0.00 H new ATOM 331 N LEU A 23 -7.853 -1.750 -0.540 1.00 0.00 N ATOM 332 CA LEU A 23 -7.353 -2.093 -1.866 1.00 0.00 C ATOM 333 C LEU A 23 -8.398 -2.871 -2.658 1.00 0.00 C ATOM 334 O LEU A 23 -8.653 -2.576 -3.826 1.00 0.00 O ATOM 335 CB LEU A 23 -6.067 -2.915 -1.752 1.00 0.00 C ATOM 336 CG LEU A 23 -4.791 -2.126 -1.456 1.00 0.00 C ATOM 337 CD1 LEU A 23 -3.729 -3.035 -0.856 1.00 0.00 C ATOM 338 CD2 LEU A 23 -4.272 -1.459 -2.721 1.00 0.00 C ATOM 0 H LEU A 23 -7.215 -1.977 0.223 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.138 -1.165 -2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.202 -3.657 -0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.925 -3.461 -2.684 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.027 -1.348 -0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.828 -2.457 -0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.102 -3.466 0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.495 -3.835 -1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.364 -0.902 -2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.052 -2.220 -3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.028 -0.777 -3.109 1.00 0.00 H new ATOM 350 N ILE A 24 -9.002 -3.865 -2.015 1.00 0.00 N ATOM 351 CA ILE A 24 -10.022 -4.683 -2.658 1.00 0.00 C ATOM 352 C ILE A 24 -11.250 -3.851 -3.014 1.00 0.00 C ATOM 353 O ILE A 24 -11.767 -3.931 -4.129 1.00 0.00 O ATOM 354 CB ILE A 24 -10.454 -5.855 -1.758 1.00 0.00 C ATOM 355 CG1 ILE A 24 -9.255 -6.750 -1.439 1.00 0.00 C ATOM 356 CG2 ILE A 24 -11.558 -6.659 -2.429 1.00 0.00 C ATOM 357 CD1 ILE A 24 -9.406 -7.524 -0.148 1.00 0.00 C ATOM 0 H ILE A 24 -8.802 -4.123 -1.049 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.578 -5.081 -3.571 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.842 -5.452 -0.823 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.108 -7.452 -2.259 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.357 -6.134 -1.381 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -11.853 -7.484 -1.781 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -12.418 -6.015 -2.610 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -11.195 -7.055 -3.377 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.519 -8.137 0.015 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.523 -6.828 0.682 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -10.285 -8.166 -0.209 1.00 0.00 H new ATOM 369 N LYS A 25 -11.712 -3.050 -2.060 1.00 0.00 N ATOM 370 CA LYS A 25 -12.877 -2.199 -2.272 1.00 0.00 C ATOM 371 C LYS A 25 -12.643 -1.234 -3.429 1.00 0.00 C ATOM 372 O LYS A 25 -13.539 -0.990 -4.238 1.00 0.00 O ATOM 373 CB LYS A 25 -13.201 -1.416 -0.998 1.00 0.00 C ATOM 374 CG LYS A 25 -14.411 -0.508 -1.133 1.00 0.00 C ATOM 375 CD LYS A 25 -14.481 0.501 0.000 1.00 0.00 C ATOM 376 CE LYS A 25 -15.914 0.928 0.280 1.00 0.00 C ATOM 377 NZ LYS A 25 -16.612 -0.030 1.180 1.00 0.00 N ATOM 0 H LYS A 25 -11.297 -2.972 -1.131 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.723 -2.840 -2.522 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.374 -2.119 -0.184 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.335 -0.815 -0.721 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.368 0.017 -2.087 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.320 -1.110 -1.142 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.047 0.068 0.901 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.883 1.376 -0.253 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.916 1.919 0.733 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -16.460 1.007 -0.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -17.585 0.296 1.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -16.633 -0.970 0.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -16.106 -0.086 2.087 1.00 0.00 H new ATOM 391 N TYR A 26 -11.434 -0.689 -3.503 1.00 0.00 N ATOM 392 CA TYR A 26 -11.082 0.251 -4.561 1.00 0.00 C ATOM 393 C TYR A 26 -10.189 -0.413 -5.605 1.00 0.00 C ATOM 394 O TYR A 26 -8.963 -0.437 -5.485 1.00 0.00 O ATOM 395 CB TYR A 26 -10.376 1.474 -3.972 1.00 0.00 C ATOM 396 CG TYR A 26 -11.312 2.436 -3.276 1.00 0.00 C ATOM 397 CD1 TYR A 26 -12.159 3.262 -4.004 1.00 0.00 C ATOM 398 CD2 TYR A 26 -11.348 2.519 -1.889 1.00 0.00 C ATOM 399 CE1 TYR A 26 -13.014 4.143 -3.372 1.00 0.00 C ATOM 400 CE2 TYR A 26 -12.202 3.396 -1.248 1.00 0.00 C ATOM 401 CZ TYR A 26 -13.033 4.206 -1.994 1.00 0.00 C ATOM 402 OH TYR A 26 -13.884 5.082 -1.359 1.00 0.00 O ATOM 0 H TYR A 26 -10.681 -0.882 -2.843 1.00 0.00 H new ATOM 0 HA TYR A 26 -12.003 0.572 -5.048 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.619 1.140 -3.263 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -9.854 2.001 -4.770 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.149 3.214 -5.083 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.697 1.887 -1.302 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.665 4.779 -3.953 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.219 3.447 -0.169 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.773 5.000 -0.389 1.00 0.00 H new ATOM 412 N PRO A 27 -10.816 -0.965 -6.654 1.00 0.00 N ATOM 413 CA PRO A 27 -10.098 -1.639 -7.740 1.00 0.00 C ATOM 414 C PRO A 27 -9.304 -0.663 -8.603 1.00 0.00 C ATOM 415 O PRO A 27 -9.475 0.554 -8.523 1.00 0.00 O ATOM 416 CB PRO A 27 -11.218 -2.286 -8.558 1.00 0.00 C ATOM 417 CG PRO A 27 -12.421 -1.452 -8.279 1.00 0.00 C ATOM 418 CD PRO A 27 -12.274 -0.974 -6.861 1.00 0.00 C ATOM 0 HA PRO A 27 -9.362 -2.349 -7.363 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.979 -2.292 -9.621 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -11.377 -3.323 -8.261 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.482 -0.611 -8.970 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.335 -2.032 -8.402 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.705 0.018 -6.724 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.776 -1.639 -6.158 1.00 0.00 H new ATOM 426 N PRO A 28 -8.416 -1.207 -9.448 1.00 0.00 N ATOM 427 CA PRO A 28 -7.579 -0.402 -10.343 1.00 0.00 C ATOM 428 C PRO A 28 -8.387 0.253 -11.458 1.00 0.00 C ATOM 429 O PRO A 28 -9.359 -0.318 -11.950 1.00 0.00 O ATOM 430 CB PRO A 28 -6.597 -1.422 -10.923 1.00 0.00 C ATOM 431 CG PRO A 28 -7.308 -2.728 -10.832 1.00 0.00 C ATOM 432 CD PRO A 28 -8.161 -2.650 -9.596 1.00 0.00 C ATOM 0 HA PRO A 28 -7.097 0.423 -9.818 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.341 -1.182 -11.955 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -5.665 -1.439 -10.359 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.919 -2.902 -11.718 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.600 -3.554 -10.766 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -9.088 -3.212 -9.711 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.646 -3.058 -8.726 1.00 0.00 H new ATOM 440 N GLU A 29 -7.977 1.455 -11.852 1.00 0.00 N ATOM 441 CA GLU A 29 -8.664 2.187 -12.909 1.00 0.00 C ATOM 442 C GLU A 29 -7.662 2.832 -13.863 1.00 0.00 C ATOM 443 O GLU A 29 -6.454 2.637 -13.736 1.00 0.00 O ATOM 444 CB GLU A 29 -9.576 3.259 -12.309 1.00 0.00 C ATOM 445 CG GLU A 29 -8.893 4.121 -11.261 1.00 0.00 C ATOM 446 CD GLU A 29 -9.762 5.275 -10.798 1.00 0.00 C ATOM 447 OE1 GLU A 29 -10.777 5.018 -10.118 1.00 0.00 O ATOM 448 OE2 GLU A 29 -9.425 6.435 -11.117 1.00 0.00 O ATOM 0 H GLU A 29 -7.173 1.942 -11.455 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.271 1.478 -13.471 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.946 3.900 -13.110 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.444 2.776 -11.861 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.629 3.503 -10.403 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.962 4.513 -11.669 1.00 0.00 H new ATOM 455 N GLU A 30 -8.175 3.601 -14.819 1.00 0.00 N ATOM 456 CA GLU A 30 -7.326 4.273 -15.796 1.00 0.00 C ATOM 457 C GLU A 30 -6.251 5.104 -15.101 1.00 0.00 C ATOM 458 O GLU A 30 -5.091 5.108 -15.512 1.00 0.00 O ATOM 459 CB GLU A 30 -8.169 5.168 -16.707 1.00 0.00 C ATOM 460 CG GLU A 30 -9.094 6.106 -15.952 1.00 0.00 C ATOM 461 CD GLU A 30 -9.733 7.146 -16.852 1.00 0.00 C ATOM 462 OE1 GLU A 30 -9.023 7.692 -17.723 1.00 0.00 O ATOM 463 OE2 GLU A 30 -10.941 7.413 -16.687 1.00 0.00 O ATOM 0 H GLU A 30 -9.173 3.774 -14.937 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.837 3.510 -16.401 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.505 5.757 -17.339 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.764 4.540 -17.369 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.876 5.524 -15.464 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.532 6.608 -15.165 1.00 0.00 H new ATOM 470 N VAL A 31 -6.646 5.808 -14.045 1.00 0.00 N ATOM 471 CA VAL A 31 -5.718 6.644 -13.292 1.00 0.00 C ATOM 472 C VAL A 31 -5.423 6.041 -11.924 1.00 0.00 C ATOM 473 O VAL A 31 -6.269 6.059 -11.031 1.00 0.00 O ATOM 474 CB VAL A 31 -6.271 8.069 -13.105 1.00 0.00 C ATOM 475 CG1 VAL A 31 -5.247 8.952 -12.407 1.00 0.00 C ATOM 476 CG2 VAL A 31 -6.676 8.664 -14.445 1.00 0.00 C ATOM 0 H VAL A 31 -7.603 5.816 -13.691 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.796 6.694 -13.871 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.159 8.016 -12.475 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.655 9.955 -12.284 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.012 8.533 -11.429 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.339 9.001 -13.008 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.064 9.671 -14.293 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.807 8.705 -15.102 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.447 8.043 -14.901 1.00 0.00 H new ATOM 486 N GLU A 32 -4.215 5.507 -11.766 1.00 0.00 N ATOM 487 CA GLU A 32 -3.808 4.898 -10.505 1.00 0.00 C ATOM 488 C GLU A 32 -3.763 5.937 -9.389 1.00 0.00 C ATOM 489 O GLU A 32 -4.072 5.639 -8.235 1.00 0.00 O ATOM 490 CB GLU A 32 -2.438 4.233 -10.654 1.00 0.00 C ATOM 491 CG GLU A 32 -1.328 5.201 -11.024 1.00 0.00 C ATOM 492 CD GLU A 32 -0.109 4.501 -11.594 1.00 0.00 C ATOM 493 OE1 GLU A 32 -0.262 3.760 -12.587 1.00 0.00 O ATOM 494 OE2 GLU A 32 0.996 4.694 -11.046 1.00 0.00 O ATOM 0 H GLU A 32 -3.502 5.484 -12.495 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.545 4.140 -10.242 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.180 3.739 -9.718 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.501 3.457 -11.417 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.705 5.918 -11.753 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.036 5.768 -10.140 1.00 0.00 H new ATOM 501 N SER A 33 -3.374 7.159 -9.741 1.00 0.00 N ATOM 502 CA SER A 33 -3.284 8.242 -8.769 1.00 0.00 C ATOM 503 C SER A 33 -4.585 8.378 -7.984 1.00 0.00 C ATOM 504 O SER A 33 -4.595 8.291 -6.756 1.00 0.00 O ATOM 505 CB SER A 33 -2.959 9.561 -9.472 1.00 0.00 C ATOM 506 OG SER A 33 -1.638 9.553 -9.986 1.00 0.00 O ATOM 0 H SER A 33 -3.116 7.423 -10.692 1.00 0.00 H new ATOM 0 HA SER A 33 -2.482 8.004 -8.070 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.667 9.728 -10.283 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.075 10.388 -8.772 1.00 0.00 H new ATOM 0 HG SER A 33 -1.455 10.406 -10.432 1.00 0.00 H new ATOM 512 N ARG A 34 -5.683 8.592 -8.703 1.00 0.00 N ATOM 513 CA ARG A 34 -6.990 8.741 -8.075 1.00 0.00 C ATOM 514 C ARG A 34 -7.281 7.572 -7.139 1.00 0.00 C ATOM 515 O ARG A 34 -7.636 7.767 -5.977 1.00 0.00 O ATOM 516 CB ARG A 34 -8.083 8.839 -9.141 1.00 0.00 C ATOM 517 CG ARG A 34 -8.033 10.126 -9.948 1.00 0.00 C ATOM 518 CD ARG A 34 -8.899 10.035 -11.195 1.00 0.00 C ATOM 519 NE ARG A 34 -9.424 11.339 -11.592 1.00 0.00 N ATOM 520 CZ ARG A 34 -10.524 11.877 -11.075 1.00 0.00 C ATOM 521 NH1 ARG A 34 -11.210 11.227 -10.146 1.00 0.00 N ATOM 522 NH2 ARG A 34 -10.938 13.068 -11.488 1.00 0.00 N ATOM 0 H ARG A 34 -5.693 8.666 -9.720 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.980 9.659 -7.488 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.994 7.991 -9.820 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -9.057 8.760 -8.659 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.370 10.958 -9.330 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.003 10.338 -10.234 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.314 9.615 -12.013 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.728 9.351 -11.012 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.919 11.865 -12.305 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -10.894 10.311 -9.826 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.054 11.642 -9.751 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.412 13.571 -12.203 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.782 13.480 -11.091 1.00 0.00 H new ATOM 536 N ARG A 35 -7.128 6.356 -7.654 1.00 0.00 N ATOM 537 CA ARG A 35 -7.375 5.155 -6.866 1.00 0.00 C ATOM 538 C ARG A 35 -6.834 5.315 -5.448 1.00 0.00 C ATOM 539 O ARG A 35 -7.565 5.152 -4.472 1.00 0.00 O ATOM 540 CB ARG A 35 -6.733 3.938 -7.535 1.00 0.00 C ATOM 541 CG ARG A 35 -6.710 2.700 -6.653 1.00 0.00 C ATOM 542 CD ARG A 35 -5.850 1.602 -7.258 1.00 0.00 C ATOM 543 NE ARG A 35 -5.726 0.451 -6.368 1.00 0.00 N ATOM 544 CZ ARG A 35 -5.416 -0.771 -6.786 1.00 0.00 C ATOM 545 NH1 ARG A 35 -5.198 -1.000 -8.074 1.00 0.00 N ATOM 546 NH2 ARG A 35 -5.322 -1.768 -5.915 1.00 0.00 N ATOM 0 H ARG A 35 -6.834 6.177 -8.614 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.453 5.003 -6.810 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.275 3.710 -8.453 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.712 4.188 -7.822 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.327 2.962 -5.667 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.727 2.332 -6.513 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.284 1.282 -8.206 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.859 1.998 -7.479 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.886 0.593 -5.371 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.268 -0.237 -8.747 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.960 -1.940 -8.392 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.488 -1.596 -4.923 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.084 -2.706 -6.237 1.00 0.00 H new ATOM 560 N TRP A 36 -5.548 5.632 -5.344 1.00 0.00 N ATOM 561 CA TRP A 36 -4.908 5.813 -4.046 1.00 0.00 C ATOM 562 C TRP A 36 -5.648 6.856 -3.215 1.00 0.00 C ATOM 563 O TRP A 36 -5.979 6.615 -2.054 1.00 0.00 O ATOM 564 CB TRP A 36 -3.448 6.229 -4.228 1.00 0.00 C ATOM 565 CG TRP A 36 -2.741 5.463 -5.305 1.00 0.00 C ATOM 566 CD1 TRP A 36 -1.954 5.978 -6.295 1.00 0.00 C ATOM 567 CD2 TRP A 36 -2.759 4.045 -5.500 1.00 0.00 C ATOM 568 NE1 TRP A 36 -1.482 4.965 -7.095 1.00 0.00 N ATOM 569 CE2 TRP A 36 -1.961 3.769 -6.627 1.00 0.00 C ATOM 570 CE3 TRP A 36 -3.371 2.981 -4.831 1.00 0.00 C ATOM 571 CZ2 TRP A 36 -1.761 2.475 -7.099 1.00 0.00 C ATOM 572 CZ3 TRP A 36 -3.171 1.696 -5.301 1.00 0.00 C ATOM 573 CH2 TRP A 36 -2.371 1.452 -6.425 1.00 0.00 C ATOM 0 H TRP A 36 -4.928 5.769 -6.143 1.00 0.00 H new ATOM 0 HA TRP A 36 -4.943 4.862 -3.515 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.407 7.293 -4.463 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.918 6.090 -3.286 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -1.735 7.027 -6.430 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.874 5.084 -7.905 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.989 3.159 -3.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.146 2.285 -7.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.640 0.866 -4.793 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.233 0.437 -6.766 1.00 0.00 H new ATOM 584 N GLN A 37 -5.903 8.013 -3.817 1.00 0.00 N ATOM 585 CA GLN A 37 -6.603 9.092 -3.130 1.00 0.00 C ATOM 586 C GLN A 37 -7.845 8.568 -2.416 1.00 0.00 C ATOM 587 O GLN A 37 -8.107 8.919 -1.265 1.00 0.00 O ATOM 588 CB GLN A 37 -6.996 10.187 -4.124 1.00 0.00 C ATOM 589 CG GLN A 37 -7.807 11.311 -3.501 1.00 0.00 C ATOM 590 CD GLN A 37 -6.940 12.338 -2.800 1.00 0.00 C ATOM 591 OE1 GLN A 37 -6.539 13.339 -3.395 1.00 0.00 O ATOM 592 NE2 GLN A 37 -6.646 12.097 -1.528 1.00 0.00 N ATOM 0 H GLN A 37 -5.636 8.227 -4.778 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.928 9.512 -2.384 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.092 10.605 -4.568 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.572 9.741 -4.935 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.392 11.804 -4.277 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.515 10.890 -2.787 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.999 11.255 -1.074 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.067 12.754 -1.005 1.00 0.00 H new ATOM 601 N LYS A 38 -8.607 7.726 -3.106 1.00 0.00 N ATOM 602 CA LYS A 38 -9.821 7.152 -2.539 1.00 0.00 C ATOM 603 C LYS A 38 -9.505 6.340 -1.286 1.00 0.00 C ATOM 604 O LYS A 38 -10.149 6.506 -0.250 1.00 0.00 O ATOM 605 CB LYS A 38 -10.521 6.265 -3.571 1.00 0.00 C ATOM 606 CG LYS A 38 -10.911 7.001 -4.841 1.00 0.00 C ATOM 607 CD LYS A 38 -11.240 6.035 -5.967 1.00 0.00 C ATOM 608 CE LYS A 38 -11.427 6.764 -7.289 1.00 0.00 C ATOM 609 NZ LYS A 38 -12.617 7.657 -7.266 1.00 0.00 N ATOM 0 H LYS A 38 -8.405 7.426 -4.060 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.485 7.971 -2.263 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.864 5.435 -3.830 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.416 5.835 -3.121 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.773 7.638 -4.643 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.095 7.655 -5.148 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.439 5.302 -6.065 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.148 5.485 -5.722 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.536 7.352 -7.509 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.535 6.036 -8.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.729 8.109 -8.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.466 7.098 -7.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.488 8.389 -6.538 1.00 0.00 H new ATOM 623 N ILE A 39 -8.511 5.465 -1.389 1.00 0.00 N ATOM 624 CA ILE A 39 -8.109 4.631 -0.263 1.00 0.00 C ATOM 625 C ILE A 39 -7.641 5.482 0.913 1.00 0.00 C ATOM 626 O ILE A 39 -8.089 5.296 2.044 1.00 0.00 O ATOM 627 CB ILE A 39 -6.982 3.658 -0.657 1.00 0.00 C ATOM 628 CG1 ILE A 39 -7.530 2.548 -1.557 1.00 0.00 C ATOM 629 CG2 ILE A 39 -6.333 3.067 0.585 1.00 0.00 C ATOM 630 CD1 ILE A 39 -6.470 1.879 -2.404 1.00 0.00 C ATOM 0 H ILE A 39 -7.969 5.315 -2.240 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.987 4.057 0.033 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.223 4.210 -1.211 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.017 1.795 -0.937 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.296 2.966 -2.211 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.539 2.382 0.289 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.913 3.869 1.193 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.081 2.527 1.165 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.930 1.103 -3.016 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.999 2.620 -3.050 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.716 1.431 -1.757 1.00 0.00 H new ATOM 642 N ALA A 40 -6.739 6.418 0.637 1.00 0.00 N ATOM 643 CA ALA A 40 -6.214 7.301 1.671 1.00 0.00 C ATOM 644 C ALA A 40 -7.343 7.945 2.469 1.00 0.00 C ATOM 645 O ALA A 40 -7.418 7.795 3.688 1.00 0.00 O ATOM 646 CB ALA A 40 -5.326 8.370 1.051 1.00 0.00 C ATOM 0 H ALA A 40 -6.357 6.584 -0.294 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.616 6.701 2.357 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.941 9.022 1.835 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.493 7.895 0.532 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.907 8.959 0.342 1.00 0.00 H new ATOM 652 N ASP A 41 -8.218 8.662 1.773 1.00 0.00 N ATOM 653 CA ASP A 41 -9.343 9.329 2.417 1.00 0.00 C ATOM 654 C ASP A 41 -9.878 8.495 3.577 1.00 0.00 C ATOM 655 O ASP A 41 -10.028 8.991 4.693 1.00 0.00 O ATOM 656 CB ASP A 41 -10.458 9.588 1.403 1.00 0.00 C ATOM 657 CG ASP A 41 -11.388 10.705 1.837 1.00 0.00 C ATOM 658 OD1 ASP A 41 -10.888 11.726 2.354 1.00 0.00 O ATOM 659 OD2 ASP A 41 -12.615 10.558 1.658 1.00 0.00 O ATOM 0 H ASP A 41 -8.170 8.796 0.763 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.991 10.283 2.810 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.017 9.841 0.439 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.035 8.674 1.260 1.00 0.00 H new ATOM 664 N GLU A 42 -10.164 7.226 3.304 1.00 0.00 N ATOM 665 CA GLU A 42 -10.684 6.324 4.325 1.00 0.00 C ATOM 666 C GLU A 42 -9.727 6.234 5.510 1.00 0.00 C ATOM 667 O GLU A 42 -10.118 6.455 6.657 1.00 0.00 O ATOM 668 CB GLU A 42 -10.917 4.931 3.737 1.00 0.00 C ATOM 669 CG GLU A 42 -12.270 4.772 3.065 1.00 0.00 C ATOM 670 CD GLU A 42 -13.414 4.733 4.059 1.00 0.00 C ATOM 671 OE1 GLU A 42 -13.541 3.721 4.780 1.00 0.00 O ATOM 672 OE2 GLU A 42 -14.183 5.716 4.117 1.00 0.00 O ATOM 0 H GLU A 42 -10.045 6.800 2.385 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.634 6.725 4.677 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.133 4.717 3.011 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.826 4.191 4.532 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.425 5.597 2.370 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.274 3.855 2.476 1.00 0.00 H new ATOM 679 N LEU A 43 -8.471 5.908 5.225 1.00 0.00 N ATOM 680 CA LEU A 43 -7.456 5.788 6.266 1.00 0.00 C ATOM 681 C LEU A 43 -7.376 7.064 7.098 1.00 0.00 C ATOM 682 O LEU A 43 -7.407 7.018 8.327 1.00 0.00 O ATOM 683 CB LEU A 43 -6.092 5.486 5.643 1.00 0.00 C ATOM 684 CG LEU A 43 -5.923 4.090 5.041 1.00 0.00 C ATOM 685 CD1 LEU A 43 -4.898 4.114 3.919 1.00 0.00 C ATOM 686 CD2 LEU A 43 -5.518 3.091 6.116 1.00 0.00 C ATOM 0 H LEU A 43 -8.131 5.722 4.281 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.739 4.965 6.922 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.901 6.222 4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.327 5.625 6.407 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.880 3.776 4.624 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.791 3.112 3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.230 4.798 3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.937 4.449 4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.402 2.103 5.670 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.573 3.400 6.563 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.288 3.053 6.886 1.00 0.00 H new ATOM 698 N GLY A 44 -7.276 8.202 6.419 1.00 0.00 N ATOM 699 CA GLY A 44 -7.196 9.475 7.112 1.00 0.00 C ATOM 700 C GLY A 44 -5.788 9.796 7.574 1.00 0.00 C ATOM 701 O GLY A 44 -5.273 10.881 7.308 1.00 0.00 O ATOM 0 H GLY A 44 -7.249 8.266 5.401 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.548 10.267 6.452 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.863 9.459 7.974 1.00 0.00 H new ATOM 705 N ASN A 45 -5.166 8.850 8.270 1.00 0.00 N ATOM 706 CA ASN A 45 -3.810 9.039 8.773 1.00 0.00 C ATOM 707 C ASN A 45 -2.805 9.077 7.625 1.00 0.00 C ATOM 708 O ASN A 45 -1.892 9.903 7.613 1.00 0.00 O ATOM 709 CB ASN A 45 -3.444 7.919 9.749 1.00 0.00 C ATOM 710 CG ASN A 45 -3.819 8.254 11.180 1.00 0.00 C ATOM 711 OD1 ASN A 45 -4.879 7.857 11.665 1.00 0.00 O ATOM 712 ND2 ASN A 45 -2.948 8.987 11.862 1.00 0.00 N ATOM 0 H ASN A 45 -5.579 7.946 8.498 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.774 9.994 9.297 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.949 7.000 9.450 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.373 7.727 9.692 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.145 9.244 12.829 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.082 9.294 11.419 1.00 0.00 H new ATOM 719 N ARG A 46 -2.980 8.178 6.663 1.00 0.00 N ATOM 720 CA ARG A 46 -2.089 8.107 5.511 1.00 0.00 C ATOM 721 C ARG A 46 -2.591 9.000 4.380 1.00 0.00 C ATOM 722 O ARG A 46 -3.691 9.549 4.449 1.00 0.00 O ATOM 723 CB ARG A 46 -1.968 6.663 5.020 1.00 0.00 C ATOM 724 CG ARG A 46 -1.127 5.781 5.928 1.00 0.00 C ATOM 725 CD ARG A 46 0.301 6.291 6.035 1.00 0.00 C ATOM 726 NE ARG A 46 1.178 5.330 6.698 1.00 0.00 N ATOM 727 CZ ARG A 46 1.305 5.240 8.017 1.00 0.00 C ATOM 728 NH1 ARG A 46 0.616 6.049 8.810 1.00 0.00 N ATOM 729 NH2 ARG A 46 2.124 4.339 8.546 1.00 0.00 N ATOM 0 H ARG A 46 -3.731 7.488 6.658 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.106 8.461 5.822 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.966 6.233 4.932 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.532 6.663 4.021 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.577 5.745 6.920 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.122 4.761 5.543 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.685 6.504 5.038 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.310 7.231 6.587 1.00 0.00 H new ATOM 0 HE ARG A 46 1.723 4.693 6.117 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.014 6.743 8.407 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.716 5.977 9.823 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.656 3.715 7.939 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.221 4.271 9.559 1.00 0.00 H new ATOM 743 N THR A 47 -1.777 9.141 3.338 1.00 0.00 N ATOM 744 CA THR A 47 -2.138 9.967 2.193 1.00 0.00 C ATOM 745 C THR A 47 -1.934 9.212 0.884 1.00 0.00 C ATOM 746 O THR A 47 -1.148 8.267 0.818 1.00 0.00 O ATOM 747 CB THR A 47 -1.312 11.267 2.156 1.00 0.00 C ATOM 748 OG1 THR A 47 0.055 10.971 1.848 1.00 0.00 O ATOM 749 CG2 THR A 47 -1.390 11.995 3.490 1.00 0.00 C ATOM 0 H THR A 47 -0.863 8.694 3.264 1.00 0.00 H new ATOM 0 HA THR A 47 -3.193 10.218 2.304 1.00 0.00 H new ATOM 0 HB THR A 47 -1.726 11.913 1.382 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.573 11.803 1.825 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.799 12.910 3.440 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.428 12.245 3.708 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.998 11.353 4.279 1.00 0.00 H new ATOM 757 N ALA A 48 -2.645 9.636 -0.155 1.00 0.00 N ATOM 758 CA ALA A 48 -2.540 9.001 -1.463 1.00 0.00 C ATOM 759 C ALA A 48 -1.121 8.507 -1.720 1.00 0.00 C ATOM 760 O ALA A 48 -0.900 7.321 -1.966 1.00 0.00 O ATOM 761 CB ALA A 48 -2.970 9.969 -2.555 1.00 0.00 C ATOM 0 H ALA A 48 -3.300 10.417 -0.117 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.205 8.138 -1.476 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.887 9.482 -3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.004 10.270 -2.388 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.328 10.849 -2.534 1.00 0.00 H new ATOM 767 N LYS A 49 -0.160 9.423 -1.663 1.00 0.00 N ATOM 768 CA LYS A 49 1.239 9.081 -1.890 1.00 0.00 C ATOM 769 C LYS A 49 1.655 7.893 -1.028 1.00 0.00 C ATOM 770 O LYS A 49 1.951 6.816 -1.543 1.00 0.00 O ATOM 771 CB LYS A 49 2.135 10.284 -1.586 1.00 0.00 C ATOM 772 CG LYS A 49 3.406 10.321 -2.416 1.00 0.00 C ATOM 773 CD LYS A 49 4.428 9.313 -1.917 1.00 0.00 C ATOM 774 CE LYS A 49 5.316 8.815 -3.046 1.00 0.00 C ATOM 775 NZ LYS A 49 6.352 9.817 -3.421 1.00 0.00 N ATOM 0 H LYS A 49 -0.325 10.409 -1.461 1.00 0.00 H new ATOM 0 HA LYS A 49 1.355 8.805 -2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.571 11.200 -1.760 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.402 10.270 -0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.167 10.112 -3.459 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.835 11.323 -2.382 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.044 9.771 -1.143 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.914 8.469 -1.458 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.801 7.887 -2.744 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.702 8.585 -3.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.937 9.439 -4.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.889 10.694 -3.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.955 10.018 -2.598 1.00 0.00 H new ATOM 789 N GLN A 50 1.673 8.098 0.285 1.00 0.00 N ATOM 790 CA GLN A 50 2.052 7.043 1.217 1.00 0.00 C ATOM 791 C GLN A 50 1.465 5.702 0.789 1.00 0.00 C ATOM 792 O GLN A 50 2.177 4.701 0.700 1.00 0.00 O ATOM 793 CB GLN A 50 1.583 7.389 2.631 1.00 0.00 C ATOM 794 CG GLN A 50 2.580 8.228 3.414 1.00 0.00 C ATOM 795 CD GLN A 50 1.914 9.105 4.456 1.00 0.00 C ATOM 796 OE1 GLN A 50 0.720 8.973 4.724 1.00 0.00 O ATOM 797 NE2 GLN A 50 2.686 10.008 5.051 1.00 0.00 N ATOM 0 H GLN A 50 1.430 8.984 0.727 1.00 0.00 H new ATOM 0 HA GLN A 50 3.139 6.962 1.212 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.637 7.927 2.570 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.390 6.466 3.177 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.298 7.570 3.904 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.143 8.855 2.723 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.671 10.083 4.798 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.293 10.626 5.761 1.00 0.00 H new ATOM 806 N VAL A 51 0.163 5.689 0.524 1.00 0.00 N ATOM 807 CA VAL A 51 -0.520 4.471 0.104 1.00 0.00 C ATOM 808 C VAL A 51 0.161 3.849 -1.110 1.00 0.00 C ATOM 809 O VAL A 51 0.386 2.640 -1.157 1.00 0.00 O ATOM 810 CB VAL A 51 -1.998 4.743 -0.234 1.00 0.00 C ATOM 811 CG1 VAL A 51 -2.686 3.466 -0.690 1.00 0.00 C ATOM 812 CG2 VAL A 51 -2.715 5.347 0.964 1.00 0.00 C ATOM 0 H VAL A 51 -0.441 6.508 0.593 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.469 3.776 0.942 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.039 5.461 -1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.729 3.678 -0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.186 3.081 -1.578 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.637 2.722 0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.758 5.533 0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.665 4.655 1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.236 6.287 1.239 1.00 0.00 H new ATOM 822 N ALA A 52 0.489 4.685 -2.090 1.00 0.00 N ATOM 823 CA ALA A 52 1.148 4.218 -3.304 1.00 0.00 C ATOM 824 C ALA A 52 2.426 3.455 -2.975 1.00 0.00 C ATOM 825 O ALA A 52 2.658 2.362 -3.492 1.00 0.00 O ATOM 826 CB ALA A 52 1.452 5.392 -4.223 1.00 0.00 C ATOM 0 H ALA A 52 0.309 5.689 -2.067 1.00 0.00 H new ATOM 0 HA ALA A 52 0.471 3.535 -3.817 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.944 5.030 -5.126 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.522 5.893 -4.493 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.108 6.095 -3.710 1.00 0.00 H new ATOM 832 N SER A 53 3.254 4.038 -2.114 1.00 0.00 N ATOM 833 CA SER A 53 4.512 3.415 -1.721 1.00 0.00 C ATOM 834 C SER A 53 4.268 2.038 -1.110 1.00 0.00 C ATOM 835 O SER A 53 4.993 1.085 -1.394 1.00 0.00 O ATOM 836 CB SER A 53 5.256 4.304 -0.723 1.00 0.00 C ATOM 837 OG SER A 53 5.858 5.409 -1.374 1.00 0.00 O ATOM 0 H SER A 53 3.076 4.941 -1.675 1.00 0.00 H new ATOM 0 HA SER A 53 5.124 3.294 -2.615 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.562 4.660 0.039 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.020 3.720 -0.210 1.00 0.00 H new ATOM 0 HG SER A 53 6.326 5.962 -0.714 1.00 0.00 H new ATOM 843 N GLN A 54 3.243 1.944 -0.270 1.00 0.00 N ATOM 844 CA GLN A 54 2.903 0.685 0.383 1.00 0.00 C ATOM 845 C GLN A 54 2.384 -0.330 -0.630 1.00 0.00 C ATOM 846 O GLN A 54 2.715 -1.514 -0.565 1.00 0.00 O ATOM 847 CB GLN A 54 1.856 0.917 1.473 1.00 0.00 C ATOM 848 CG GLN A 54 1.931 -0.087 2.612 1.00 0.00 C ATOM 849 CD GLN A 54 3.187 0.070 3.447 1.00 0.00 C ATOM 850 OE1 GLN A 54 4.105 0.802 3.077 1.00 0.00 O ATOM 851 NE2 GLN A 54 3.234 -0.619 4.581 1.00 0.00 N ATOM 0 H GLN A 54 2.633 2.724 -0.025 1.00 0.00 H new ATOM 0 HA GLN A 54 3.809 0.285 0.839 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.980 1.922 1.877 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.863 0.874 1.026 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.057 0.030 3.252 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.895 -1.097 2.204 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.450 -1.214 4.849 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.054 -0.553 5.184 1.00 0.00 H new ATOM 860 N VAL A 55 1.566 0.141 -1.567 1.00 0.00 N ATOM 861 CA VAL A 55 1.000 -0.725 -2.594 1.00 0.00 C ATOM 862 C VAL A 55 2.094 -1.487 -3.334 1.00 0.00 C ATOM 863 O VAL A 55 1.922 -2.654 -3.685 1.00 0.00 O ATOM 864 CB VAL A 55 0.172 0.080 -3.613 1.00 0.00 C ATOM 865 CG1 VAL A 55 -0.374 -0.834 -4.699 1.00 0.00 C ATOM 866 CG2 VAL A 55 -0.956 0.823 -2.914 1.00 0.00 C ATOM 0 H VAL A 55 1.281 1.118 -1.635 1.00 0.00 H new ATOM 0 HA VAL A 55 0.347 -1.434 -2.085 1.00 0.00 H new ATOM 0 HB VAL A 55 0.824 0.815 -4.084 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.956 -0.247 -5.410 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.454 -1.316 -5.219 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.012 -1.594 -4.248 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.531 1.387 -3.649 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.609 0.107 -2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.538 1.509 -2.177 1.00 0.00 H new ATOM 876 N GLN A 56 3.219 -0.819 -3.566 1.00 0.00 N ATOM 877 CA GLN A 56 4.342 -1.434 -4.265 1.00 0.00 C ATOM 878 C GLN A 56 4.816 -2.687 -3.536 1.00 0.00 C ATOM 879 O GLN A 56 5.042 -3.729 -4.152 1.00 0.00 O ATOM 880 CB GLN A 56 5.496 -0.438 -4.396 1.00 0.00 C ATOM 881 CG GLN A 56 5.366 0.489 -5.593 1.00 0.00 C ATOM 882 CD GLN A 56 6.315 1.669 -5.522 1.00 0.00 C ATOM 883 OE1 GLN A 56 6.712 2.098 -4.438 1.00 0.00 O ATOM 884 NE2 GLN A 56 6.685 2.202 -6.681 1.00 0.00 N ATOM 0 H GLN A 56 3.378 0.147 -3.281 1.00 0.00 H new ATOM 0 HA GLN A 56 4.005 -1.721 -5.261 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.553 0.161 -3.487 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.433 -0.989 -4.474 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.559 -0.074 -6.506 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.341 0.855 -5.655 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.332 1.815 -7.556 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.322 2.998 -6.696 1.00 0.00 H new ATOM 893 N LYS A 57 4.965 -2.579 -2.220 1.00 0.00 N ATOM 894 CA LYS A 57 5.411 -3.703 -1.405 1.00 0.00 C ATOM 895 C LYS A 57 4.250 -4.641 -1.089 1.00 0.00 C ATOM 896 O LYS A 57 4.341 -5.475 -0.188 1.00 0.00 O ATOM 897 CB LYS A 57 6.042 -3.199 -0.105 1.00 0.00 C ATOM 898 CG LYS A 57 7.336 -2.432 -0.315 1.00 0.00 C ATOM 899 CD LYS A 57 7.831 -1.808 0.979 1.00 0.00 C ATOM 900 CE LYS A 57 8.860 -0.720 0.716 1.00 0.00 C ATOM 901 NZ LYS A 57 9.348 -0.100 1.979 1.00 0.00 N ATOM 0 H LYS A 57 4.783 -1.724 -1.695 1.00 0.00 H new ATOM 0 HA LYS A 57 6.158 -4.257 -1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.328 -2.557 0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.235 -4.049 0.549 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.098 -3.104 -0.711 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.181 -1.652 -1.060 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.988 -1.388 1.527 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.270 -2.580 1.612 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.703 -1.142 0.170 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.421 0.049 0.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.048 0.637 1.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.548 0.326 2.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.790 -0.829 2.575 1.00 0.00 H new ATOM 915 N TYR A 58 3.161 -4.499 -1.835 1.00 0.00 N ATOM 916 CA TYR A 58 1.982 -5.332 -1.634 1.00 0.00 C ATOM 917 C TYR A 58 1.711 -6.199 -2.859 1.00 0.00 C ATOM 918 O TYR A 58 1.113 -7.270 -2.757 1.00 0.00 O ATOM 919 CB TYR A 58 0.761 -4.462 -1.332 1.00 0.00 C ATOM 920 CG TYR A 58 0.554 -4.199 0.143 1.00 0.00 C ATOM 921 CD1 TYR A 58 1.635 -4.119 1.012 1.00 0.00 C ATOM 922 CD2 TYR A 58 -0.721 -4.031 0.667 1.00 0.00 C ATOM 923 CE1 TYR A 58 1.452 -3.880 2.361 1.00 0.00 C ATOM 924 CE2 TYR A 58 -0.914 -3.790 2.013 1.00 0.00 C ATOM 925 CZ TYR A 58 0.175 -3.716 2.856 1.00 0.00 C ATOM 926 OH TYR A 58 -0.013 -3.477 4.198 1.00 0.00 O ATOM 0 H TYR A 58 3.070 -3.814 -2.585 1.00 0.00 H new ATOM 0 HA TYR A 58 2.173 -5.986 -0.783 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.867 -3.509 -1.851 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.128 -4.947 -1.734 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.636 -4.246 0.627 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.577 -4.090 0.010 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.303 -3.822 3.023 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.913 -3.660 2.403 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.971 -3.384 4.383 1.00 0.00 H new ATOM 936 N PHE A 59 2.158 -5.728 -4.019 1.00 0.00 N ATOM 937 CA PHE A 59 1.965 -6.459 -5.266 1.00 0.00 C ATOM 938 C PHE A 59 3.306 -6.844 -5.885 1.00 0.00 C ATOM 939 O PHE A 59 3.403 -7.827 -6.619 1.00 0.00 O ATOM 940 CB PHE A 59 1.157 -5.617 -6.256 1.00 0.00 C ATOM 941 CG PHE A 59 -0.270 -5.405 -5.837 1.00 0.00 C ATOM 942 CD1 PHE A 59 -0.569 -4.835 -4.610 1.00 0.00 C ATOM 943 CD2 PHE A 59 -1.313 -5.776 -6.671 1.00 0.00 C ATOM 944 CE1 PHE A 59 -1.881 -4.640 -4.222 1.00 0.00 C ATOM 945 CE2 PHE A 59 -2.627 -5.583 -6.289 1.00 0.00 C ATOM 946 CZ PHE A 59 -2.911 -5.013 -5.063 1.00 0.00 C ATOM 0 H PHE A 59 2.656 -4.844 -4.121 1.00 0.00 H new ATOM 0 HA PHE A 59 1.413 -7.372 -5.041 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.640 -4.647 -6.375 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.173 -6.103 -7.232 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.233 -4.540 -3.949 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.096 -6.221 -7.631 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.101 -4.196 -3.262 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.431 -5.877 -6.948 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.937 -4.859 -4.763 1.00 0.00 H new ATOM 956 N ILE A 60 4.336 -6.061 -5.582 1.00 0.00 N ATOM 957 CA ILE A 60 5.671 -6.319 -6.108 1.00 0.00 C ATOM 958 C ILE A 60 6.513 -7.103 -5.107 1.00 0.00 C ATOM 959 O ILE A 60 7.530 -7.697 -5.466 1.00 0.00 O ATOM 960 CB ILE A 60 6.400 -5.009 -6.460 1.00 0.00 C ATOM 961 CG1 ILE A 60 5.503 -4.114 -7.317 1.00 0.00 C ATOM 962 CG2 ILE A 60 7.705 -5.307 -7.182 1.00 0.00 C ATOM 963 CD1 ILE A 60 6.053 -2.720 -7.517 1.00 0.00 C ATOM 0 H ILE A 60 4.272 -5.243 -4.976 1.00 0.00 H new ATOM 0 HA ILE A 60 5.545 -6.910 -7.015 1.00 0.00 H new ATOM 0 HB ILE A 60 6.631 -4.480 -5.536 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.360 -4.583 -8.291 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.521 -4.044 -6.850 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.209 -4.371 -7.424 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.347 -5.909 -6.539 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.496 -5.855 -8.101 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.365 -2.142 -8.134 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.169 -2.232 -6.549 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.022 -2.779 -8.012 1.00 0.00 H new ATOM 975 N LYS A 61 6.082 -7.103 -3.851 1.00 0.00 N ATOM 976 CA LYS A 61 6.793 -7.817 -2.797 1.00 0.00 C ATOM 977 C LYS A 61 6.329 -9.268 -2.714 1.00 0.00 C ATOM 978 O LYS A 61 7.139 -10.180 -2.545 1.00 0.00 O ATOM 979 CB LYS A 61 6.579 -7.125 -1.449 1.00 0.00 C ATOM 980 CG LYS A 61 7.412 -7.713 -0.324 1.00 0.00 C ATOM 981 CD LYS A 61 6.721 -7.561 1.021 1.00 0.00 C ATOM 982 CE LYS A 61 5.611 -8.586 1.196 1.00 0.00 C ATOM 983 NZ LYS A 61 6.151 -9.961 1.387 1.00 0.00 N ATOM 0 H LYS A 61 5.243 -6.616 -3.537 1.00 0.00 H new ATOM 0 HA LYS A 61 7.856 -7.806 -3.039 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.818 -6.066 -1.552 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.524 -7.189 -1.181 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.598 -8.769 -0.521 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.383 -7.219 -0.293 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.452 -7.674 1.822 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.307 -6.556 1.107 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.998 -8.314 2.055 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.960 -8.570 0.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.409 -10.573 1.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.462 -10.342 0.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.959 -9.929 2.041 1.00 0.00 H new ATOM 997 N LEU A 62 5.023 -9.474 -2.836 1.00 0.00 N ATOM 998 CA LEU A 62 4.451 -10.815 -2.777 1.00 0.00 C ATOM 999 C LEU A 62 4.737 -11.587 -4.061 1.00 0.00 C ATOM 1000 O LEU A 62 4.274 -12.714 -4.239 1.00 0.00 O ATOM 1001 CB LEU A 62 2.942 -10.738 -2.540 1.00 0.00 C ATOM 1002 CG LEU A 62 2.083 -10.457 -3.774 1.00 0.00 C ATOM 1003 CD1 LEU A 62 2.703 -9.352 -4.615 1.00 0.00 C ATOM 1004 CD2 LEU A 62 1.904 -11.723 -4.599 1.00 0.00 C ATOM 0 H LEU A 62 4.340 -8.730 -2.976 1.00 0.00 H new ATOM 0 HA LEU A 62 4.916 -11.345 -1.946 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.615 -11.680 -2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.749 -9.959 -1.803 1.00 0.00 H new ATOM 0 HG LEU A 62 1.100 -10.123 -3.441 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.078 -9.166 -5.489 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.777 -8.441 -4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.698 -9.656 -4.939 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.290 -11.504 -5.473 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.879 -12.087 -4.922 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.414 -12.486 -3.994 1.00 0.00 H new ATOM 1016 N THR A 63 5.506 -10.972 -4.956 1.00 0.00 N ATOM 1017 CA THR A 63 5.855 -11.601 -6.223 1.00 0.00 C ATOM 1018 C THR A 63 6.559 -12.934 -6.001 1.00 0.00 C ATOM 1019 O THR A 63 7.046 -13.216 -4.905 1.00 0.00 O ATOM 1020 CB THR A 63 6.763 -10.689 -7.071 1.00 0.00 C ATOM 1021 OG1 THR A 63 6.874 -11.209 -8.401 1.00 0.00 O ATOM 1022 CG2 THR A 63 8.146 -10.573 -6.449 1.00 0.00 C ATOM 0 H THR A 63 5.898 -10.039 -4.826 1.00 0.00 H new ATOM 0 HA THR A 63 4.921 -11.772 -6.758 1.00 0.00 H new ATOM 0 HB THR A 63 6.314 -9.697 -7.106 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.451 -10.623 -8.934 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.769 -9.925 -7.065 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.060 -10.150 -5.448 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.601 -11.561 -6.387 1.00 0.00 H new ATOM 1030 N LYS A 64 6.611 -13.753 -7.046 1.00 0.00 N ATOM 1031 CA LYS A 64 7.258 -15.057 -6.966 1.00 0.00 C ATOM 1032 C LYS A 64 8.760 -14.907 -6.748 1.00 0.00 C ATOM 1033 O LYS A 64 9.352 -13.892 -7.115 1.00 0.00 O ATOM 1034 CB LYS A 64 6.995 -15.859 -8.242 1.00 0.00 C ATOM 1035 CG LYS A 64 7.589 -15.229 -9.490 1.00 0.00 C ATOM 1036 CD LYS A 64 7.154 -15.964 -10.747 1.00 0.00 C ATOM 1037 CE LYS A 64 7.762 -15.342 -11.995 1.00 0.00 C ATOM 1038 NZ LYS A 64 6.970 -14.176 -12.476 1.00 0.00 N ATOM 0 H LYS A 64 6.212 -13.536 -7.959 1.00 0.00 H new ATOM 0 HA LYS A 64 6.837 -15.592 -6.115 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.404 -16.862 -8.121 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.919 -15.968 -8.377 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.282 -14.185 -9.553 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.677 -15.238 -9.420 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.451 -17.011 -10.679 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.067 -15.946 -10.823 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.783 -15.025 -11.782 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.819 -16.092 -12.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.417 -13.780 -13.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.003 -14.483 -12.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.936 -13.449 -11.733 1.00 0.00 H new ATOM 1052 N ALA A 65 9.372 -15.925 -6.151 1.00 0.00 N ATOM 1053 CA ALA A 65 10.805 -15.907 -5.888 1.00 0.00 C ATOM 1054 C ALA A 65 11.586 -16.493 -7.060 1.00 0.00 C ATOM 1055 O ALA A 65 12.753 -16.165 -7.268 1.00 0.00 O ATOM 1056 CB ALA A 65 11.117 -16.670 -4.609 1.00 0.00 C ATOM 0 H ALA A 65 8.897 -16.773 -5.841 1.00 0.00 H new ATOM 0 HA ALA A 65 11.113 -14.869 -5.763 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.191 -16.648 -4.425 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.596 -16.205 -3.772 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.788 -17.704 -4.713 1.00 0.00 H new ATOM 1062 N GLY A 66 10.933 -17.365 -7.823 1.00 0.00 N ATOM 1063 CA GLY A 66 11.581 -17.984 -8.964 1.00 0.00 C ATOM 1064 C GLY A 66 12.428 -17.004 -9.752 1.00 0.00 C ATOM 1065 O GLY A 66 13.471 -17.371 -10.294 1.00 0.00 O ATOM 0 H GLY A 66 9.967 -17.653 -7.671 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.208 -18.806 -8.620 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.823 -18.413 -9.619 1.00 0.00 H new ATOM 1069 N ILE A 67 11.979 -15.755 -9.816 1.00 0.00 N ATOM 1070 CA ILE A 67 12.703 -14.720 -10.544 1.00 0.00 C ATOM 1071 C ILE A 67 14.205 -14.827 -10.303 1.00 0.00 C ATOM 1072 O ILE A 67 14.664 -15.068 -9.187 1.00 0.00 O ATOM 1073 CB ILE A 67 12.229 -13.311 -10.140 1.00 0.00 C ATOM 1074 CG1 ILE A 67 10.741 -13.141 -10.454 1.00 0.00 C ATOM 1075 CG2 ILE A 67 13.052 -12.250 -10.855 1.00 0.00 C ATOM 1076 CD1 ILE A 67 10.109 -11.957 -9.756 1.00 0.00 C ATOM 0 H ILE A 67 11.118 -15.435 -9.373 1.00 0.00 H new ATOM 0 HA ILE A 67 12.495 -14.875 -11.603 1.00 0.00 H new ATOM 0 HB ILE A 67 12.371 -13.189 -9.066 1.00 0.00 H new ATOM 0 HG12 ILE A 67 10.616 -13.027 -11.531 1.00 0.00 H new ATOM 0 HG13 ILE A 67 10.211 -14.049 -10.165 1.00 0.00 H new ATOM 0 HG21 ILE A 67 12.705 -11.260 -10.559 1.00 0.00 H new ATOM 0 HG22 ILE A 67 14.102 -12.362 -10.586 1.00 0.00 H new ATOM 0 HG23 ILE A 67 12.939 -12.367 -11.933 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.054 -11.897 -10.024 1.00 0.00 H new ATOM 0 HD12 ILE A 67 10.203 -12.078 -8.677 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.614 -11.041 -10.064 1.00 0.00 H new ATOM 1088 N PRO A 68 14.991 -14.642 -11.374 1.00 0.00 N ATOM 1089 CA PRO A 68 16.453 -14.711 -11.305 1.00 0.00 C ATOM 1090 C PRO A 68 17.053 -13.536 -10.540 1.00 0.00 C ATOM 1091 O PRO A 68 16.502 -12.435 -10.541 1.00 0.00 O ATOM 1092 CB PRO A 68 16.881 -14.667 -12.774 1.00 0.00 C ATOM 1093 CG PRO A 68 15.766 -13.968 -13.472 1.00 0.00 C ATOM 1094 CD PRO A 68 14.512 -14.351 -12.736 1.00 0.00 C ATOM 0 HA PRO A 68 16.794 -15.600 -10.774 1.00 0.00 H new ATOM 0 HB2 PRO A 68 17.822 -14.131 -12.896 1.00 0.00 H new ATOM 0 HB3 PRO A 68 17.031 -15.670 -13.173 1.00 0.00 H new ATOM 0 HG2 PRO A 68 15.913 -12.888 -13.457 1.00 0.00 H new ATOM 0 HG3 PRO A 68 15.711 -14.268 -14.518 1.00 0.00 H new ATOM 0 HD2 PRO A 68 13.781 -13.543 -12.741 1.00 0.00 H new ATOM 0 HD3 PRO A 68 14.031 -15.219 -13.187 1.00 0.00 H new ATOM 1102 N VAL A 69 18.186 -13.777 -9.888 1.00 0.00 N ATOM 1103 CA VAL A 69 18.862 -12.738 -9.120 1.00 0.00 C ATOM 1104 C VAL A 69 17.865 -11.723 -8.572 1.00 0.00 C ATOM 1105 O VAL A 69 18.128 -10.521 -8.562 1.00 0.00 O ATOM 1106 CB VAL A 69 19.910 -12.000 -9.974 1.00 0.00 C ATOM 1107 CG1 VAL A 69 19.241 -10.959 -10.859 1.00 0.00 C ATOM 1108 CG2 VAL A 69 20.965 -11.358 -9.086 1.00 0.00 C ATOM 0 H VAL A 69 18.655 -14.683 -9.876 1.00 0.00 H new ATOM 0 HA VAL A 69 19.365 -13.235 -8.290 1.00 0.00 H new ATOM 0 HB VAL A 69 20.404 -12.727 -10.619 1.00 0.00 H new ATOM 0 HG11 VAL A 69 19.997 -10.448 -11.455 1.00 0.00 H new ATOM 0 HG12 VAL A 69 18.527 -11.449 -11.521 1.00 0.00 H new ATOM 0 HG13 VAL A 69 18.719 -10.233 -10.236 1.00 0.00 H new ATOM 0 HG21 VAL A 69 21.697 -10.841 -9.706 1.00 0.00 H new ATOM 0 HG22 VAL A 69 20.489 -10.643 -8.414 1.00 0.00 H new ATOM 0 HG23 VAL A 69 21.466 -12.129 -8.500 1.00 0.00 H new ATOM 1118 N SER A 70 16.718 -12.217 -8.115 1.00 0.00 N ATOM 1119 CA SER A 70 15.679 -11.353 -7.567 1.00 0.00 C ATOM 1120 C SER A 70 16.291 -10.165 -6.831 1.00 0.00 C ATOM 1121 O SER A 70 17.392 -10.257 -6.290 1.00 0.00 O ATOM 1122 CB SER A 70 14.776 -12.144 -6.619 1.00 0.00 C ATOM 1123 OG SER A 70 13.747 -12.810 -7.331 1.00 0.00 O ATOM 0 H SER A 70 16.485 -13.210 -8.114 1.00 0.00 H new ATOM 0 HA SER A 70 15.081 -10.975 -8.397 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.371 -12.872 -6.068 1.00 0.00 H new ATOM 0 HB3 SER A 70 14.336 -11.470 -5.884 1.00 0.00 H new ATOM 0 HG SER A 70 14.140 -13.499 -7.907 1.00 0.00 H new ATOM 1129 N GLY A 71 15.568 -9.049 -6.815 1.00 0.00 N ATOM 1130 CA GLY A 71 16.056 -7.859 -6.144 1.00 0.00 C ATOM 1131 C GLY A 71 16.896 -8.184 -4.924 1.00 0.00 C ATOM 1132 O GLY A 71 16.378 -8.420 -3.833 1.00 0.00 O ATOM 0 H GLY A 71 14.653 -8.948 -7.255 1.00 0.00 H new ATOM 0 HA2 GLY A 71 16.649 -7.269 -6.843 1.00 0.00 H new ATOM 0 HA3 GLY A 71 15.209 -7.242 -5.844 1.00 0.00 H new ATOM 1136 N PRO A 72 18.225 -8.200 -5.104 1.00 0.00 N ATOM 1137 CA PRO A 72 19.166 -8.499 -4.020 1.00 0.00 C ATOM 1138 C PRO A 72 19.222 -7.387 -2.978 1.00 0.00 C ATOM 1139 O PRO A 72 18.492 -6.401 -3.069 1.00 0.00 O ATOM 1140 CB PRO A 72 20.510 -8.623 -4.742 1.00 0.00 C ATOM 1141 CG PRO A 72 20.355 -7.802 -5.976 1.00 0.00 C ATOM 1142 CD PRO A 72 18.911 -7.928 -6.378 1.00 0.00 C ATOM 0 HA PRO A 72 18.880 -9.393 -3.466 1.00 0.00 H new ATOM 0 HB2 PRO A 72 21.328 -8.255 -4.122 1.00 0.00 H new ATOM 0 HB3 PRO A 72 20.735 -9.662 -4.983 1.00 0.00 H new ATOM 0 HG2 PRO A 72 20.618 -6.761 -5.788 1.00 0.00 H new ATOM 0 HG3 PRO A 72 21.013 -8.159 -6.768 1.00 0.00 H new ATOM 0 HD2 PRO A 72 18.543 -7.015 -6.846 1.00 0.00 H new ATOM 0 HD3 PRO A 72 18.762 -8.736 -7.095 1.00 0.00 H new ATOM 1150 N SER A 73 20.093 -7.554 -1.988 1.00 0.00 N ATOM 1151 CA SER A 73 20.242 -6.565 -0.927 1.00 0.00 C ATOM 1152 C SER A 73 21.573 -5.831 -1.051 1.00 0.00 C ATOM 1153 O SER A 73 22.435 -6.213 -1.843 1.00 0.00 O ATOM 1154 CB SER A 73 20.144 -7.239 0.444 1.00 0.00 C ATOM 1155 OG SER A 73 21.237 -8.115 0.660 1.00 0.00 O ATOM 0 H SER A 73 20.706 -8.364 -1.899 1.00 0.00 H new ATOM 0 HA SER A 73 19.436 -5.838 -1.026 1.00 0.00 H new ATOM 0 HB2 SER A 73 20.122 -6.480 1.226 1.00 0.00 H new ATOM 0 HB3 SER A 73 19.209 -7.795 0.514 1.00 0.00 H new ATOM 0 HG SER A 73 21.153 -8.532 1.543 1.00 0.00 H new ATOM 1161 N SER A 74 21.734 -4.772 -0.263 1.00 0.00 N ATOM 1162 CA SER A 74 22.958 -3.980 -0.286 1.00 0.00 C ATOM 1163 C SER A 74 23.990 -4.547 0.684 1.00 0.00 C ATOM 1164 O SER A 74 23.659 -5.331 1.572 1.00 0.00 O ATOM 1165 CB SER A 74 22.655 -2.523 0.067 1.00 0.00 C ATOM 1166 OG SER A 74 23.719 -1.672 -0.320 1.00 0.00 O ATOM 0 H SER A 74 21.032 -4.443 0.399 1.00 0.00 H new ATOM 0 HA SER A 74 23.371 -4.023 -1.294 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.736 -2.209 -0.428 1.00 0.00 H new ATOM 0 HB3 SER A 74 22.486 -2.433 1.140 1.00 0.00 H new ATOM 0 HG SER A 74 23.500 -0.746 -0.085 1.00 0.00 H new ATOM 1172 N GLY A 75 25.244 -4.142 0.507 1.00 0.00 N ATOM 1173 CA GLY A 75 26.307 -4.618 1.374 1.00 0.00 C ATOM 1174 C GLY A 75 27.498 -3.682 1.399 1.00 0.00 C ATOM 1175 O GLY A 75 28.200 -3.533 0.398 1.00 0.00 O ATOM 0 H GLY A 75 25.543 -3.493 -0.221 1.00 0.00 H new ATOM 0 HA2 GLY A 75 25.920 -4.736 2.386 1.00 0.00 H new ATOM 0 HA3 GLY A 75 26.631 -5.604 1.039 1.00 0.00 H new TER 1179 GLY A 75