USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 685 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 SER OG : rot -49:sc= 1.38 USER MOD Set 1.2: A 67 SER OG : rot -150:sc= 1.25 USER MOD Set 2.1: A 19 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 23 MET CE :methyl -169:sc= 0 (180deg=-0.291) USER MOD Set 3.1: A 13 GLN : amide:sc= 2.07 K(o=3.1,f=-3.9!) USER MOD Set 3.2: A 36 ASN : amide:sc= 0.996 K(o=3.1,f=-3.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= 1.21 (180deg=1.15) USER MOD Single : A 3 GLN : amide:sc= 1.1 K(o=1.1,f=-4.4!) USER MOD Single : A 4 TYR OH : rot -38:sc= 1.41 USER MOD Single : A 22 GLN :FLIP amide:sc= -1.82! C(o=-2.4!,f=-1.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0.805 (180deg=0.805) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0.639 K(o=0.64,f=0) USER MOD Single : A 55 SER OG : rot 78:sc= 1.19 USER MOD Single : A 61 LYS NZ :NH3+ -173:sc= 1.26 (180deg=1.1) USER MOD Single : A 62 ASN : amide:sc= 0.832 K(o=0.83,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -60:sc= 0.592 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 0.251 K(o=0.25,f=-1.2) USER MOD Single : A 84 HIS : no HE2:sc= 0.426 K(o=0.43,f=-2.4!) USER MOD Single : A 87 SER OG : rot 75:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.763 -0.147 -1.922 1.00 0.00 N ATOM 2 CA MET A 1 0.710 0.007 -1.944 1.00 0.00 C ATOM 3 C MET A 1 1.363 -1.354 -2.180 1.00 0.00 C ATOM 4 O MET A 1 0.917 -2.364 -1.630 1.00 0.00 O ATOM 5 CB MET A 1 1.266 0.645 -0.654 1.00 0.00 C ATOM 6 CG MET A 1 0.819 2.097 -0.440 1.00 0.00 C ATOM 7 SD MET A 1 1.255 3.232 -1.786 1.00 0.00 S ATOM 8 CE MET A 1 0.567 4.777 -1.132 1.00 0.00 C ATOM 0 H1 MET A 1 -1.202 0.754 -1.645 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.098 -0.418 -2.868 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.025 -0.885 -1.237 1.00 0.00 H new ATOM 0 HA MET A 1 0.952 0.688 -2.760 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.950 0.047 0.201 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.355 0.610 -0.683 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.263 2.114 -0.305 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.261 2.466 0.485 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.749 5.585 -1.841 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.506 4.662 -0.980 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.044 5.014 -0.181 1.00 0.00 H new ATOM 20 N LEU A 2 2.426 -1.394 -2.988 1.00 0.00 N ATOM 21 CA LEU A 2 3.165 -2.596 -3.362 1.00 0.00 C ATOM 22 C LEU A 2 4.632 -2.203 -3.584 1.00 0.00 C ATOM 23 O LEU A 2 4.944 -1.012 -3.696 1.00 0.00 O ATOM 24 CB LEU A 2 2.509 -3.173 -4.636 1.00 0.00 C ATOM 25 CG LEU A 2 3.026 -4.537 -5.140 1.00 0.00 C ATOM 26 CD1 LEU A 2 2.835 -5.649 -4.099 1.00 0.00 C ATOM 27 CD2 LEU A 2 2.279 -4.917 -6.423 1.00 0.00 C ATOM 0 H LEU A 2 2.809 -0.551 -3.416 1.00 0.00 H new ATOM 0 HA LEU A 2 3.138 -3.363 -2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 2 1.438 -3.264 -4.453 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.634 -2.447 -5.439 1.00 0.00 H new ATOM 0 HG LEU A 2 4.095 -4.437 -5.329 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.213 -6.590 -4.498 1.00 0.00 H new ATOM 0 HD12 LEU A 2 3.381 -5.395 -3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 2 1.775 -5.753 -3.868 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.641 -5.880 -6.783 1.00 0.00 H new ATOM 0 HD22 LEU A 2 1.211 -4.985 -6.216 1.00 0.00 H new ATOM 0 HD23 LEU A 2 2.453 -4.156 -7.184 1.00 0.00 H new ATOM 39 N GLN A 3 5.526 -3.192 -3.659 1.00 0.00 N ATOM 40 CA GLN A 3 6.943 -3.026 -3.947 1.00 0.00 C ATOM 41 C GLN A 3 7.343 -4.088 -4.978 1.00 0.00 C ATOM 42 O GLN A 3 6.781 -5.190 -5.002 1.00 0.00 O ATOM 43 CB GLN A 3 7.720 -3.114 -2.616 1.00 0.00 C ATOM 44 CG GLN A 3 9.249 -2.953 -2.682 1.00 0.00 C ATOM 45 CD GLN A 3 10.001 -4.289 -2.685 1.00 0.00 C ATOM 46 OE1 GLN A 3 9.807 -5.141 -3.547 1.00 0.00 O ATOM 47 NE2 GLN A 3 10.882 -4.517 -1.726 1.00 0.00 N ATOM 0 H GLN A 3 5.267 -4.168 -3.514 1.00 0.00 H new ATOM 0 HA GLN A 3 7.178 -2.055 -4.383 1.00 0.00 H new ATOM 0 HB2 GLN A 3 7.329 -2.349 -1.945 1.00 0.00 H new ATOM 0 HB3 GLN A 3 7.501 -4.080 -2.160 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.510 -2.395 -3.581 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.582 -2.359 -1.831 1.00 0.00 H new ATOM 0 HE21 GLN A 3 11.047 -3.812 -1.007 1.00 0.00 H new ATOM 0 HE22 GLN A 3 11.397 -5.397 -1.705 1.00 0.00 H new ATOM 56 N TYR A 4 8.313 -3.764 -5.833 1.00 0.00 N ATOM 57 CA TYR A 4 8.976 -4.739 -6.686 1.00 0.00 C ATOM 58 C TYR A 4 10.474 -4.477 -6.744 1.00 0.00 C ATOM 59 O TYR A 4 10.954 -3.405 -6.362 1.00 0.00 O ATOM 60 CB TYR A 4 8.334 -4.824 -8.086 1.00 0.00 C ATOM 61 CG TYR A 4 8.359 -3.637 -9.040 1.00 0.00 C ATOM 62 CD1 TYR A 4 9.528 -2.891 -9.323 1.00 0.00 C ATOM 63 CD2 TYR A 4 7.199 -3.396 -9.799 1.00 0.00 C ATOM 64 CE1 TYR A 4 9.545 -1.952 -10.368 1.00 0.00 C ATOM 65 CE2 TYR A 4 7.203 -2.445 -10.824 1.00 0.00 C ATOM 66 CZ TYR A 4 8.387 -1.756 -11.151 1.00 0.00 C ATOM 67 OH TYR A 4 8.418 -0.982 -12.267 1.00 0.00 O ATOM 0 H TYR A 4 8.660 -2.812 -5.951 1.00 0.00 H new ATOM 0 HA TYR A 4 8.835 -5.722 -6.237 1.00 0.00 H new ATOM 0 HB2 TYR A 4 8.808 -5.658 -8.603 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.288 -5.093 -7.940 1.00 0.00 H new ATOM 0 HD1 TYR A 4 10.417 -3.045 -8.729 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.297 -3.951 -9.588 1.00 0.00 H new ATOM 0 HE1 TYR A 4 10.440 -1.383 -10.571 1.00 0.00 H new ATOM 0 HE2 TYR A 4 6.293 -2.238 -11.368 1.00 0.00 H new ATOM 0 HH TYR A 4 8.998 -0.208 -12.112 1.00 0.00 H new ATOM 77 N ARG A 5 11.191 -5.434 -7.326 1.00 0.00 N ATOM 78 CA ARG A 5 12.564 -5.304 -7.786 1.00 0.00 C ATOM 79 C ARG A 5 12.575 -5.824 -9.219 1.00 0.00 C ATOM 80 O ARG A 5 11.919 -6.829 -9.492 1.00 0.00 O ATOM 81 CB ARG A 5 13.473 -6.123 -6.862 1.00 0.00 C ATOM 82 CG ARG A 5 14.971 -5.933 -7.151 1.00 0.00 C ATOM 83 CD ARG A 5 15.815 -6.930 -6.348 1.00 0.00 C ATOM 84 NE ARG A 5 15.549 -8.320 -6.764 1.00 0.00 N ATOM 85 CZ ARG A 5 16.437 -9.263 -7.096 1.00 0.00 C ATOM 86 NH1 ARG A 5 17.742 -9.008 -7.180 1.00 0.00 N ATOM 87 NH2 ARG A 5 15.974 -10.483 -7.349 1.00 0.00 N ATOM 0 H ARG A 5 10.809 -6.364 -7.496 1.00 0.00 H new ATOM 0 HA ARG A 5 12.930 -4.278 -7.764 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.272 -5.844 -5.828 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.223 -7.179 -6.962 1.00 0.00 H new ATOM 0 HG2 ARG A 5 15.160 -6.066 -8.216 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.267 -4.915 -6.900 1.00 0.00 H new ATOM 0 HD2 ARG A 5 16.873 -6.705 -6.483 1.00 0.00 H new ATOM 0 HD3 ARG A 5 15.598 -6.819 -5.286 1.00 0.00 H new ATOM 0 HE ARG A 5 14.568 -8.596 -6.803 1.00 0.00 H new ATOM 0 HH11 ARG A 5 18.092 -8.069 -6.988 1.00 0.00 H new ATOM 0 HH12 ARG A 5 18.391 -9.752 -7.436 1.00 0.00 H new ATOM 0 HH21 ARG A 5 14.974 -10.672 -7.287 1.00 0.00 H new ATOM 0 HH22 ARG A 5 16.619 -11.230 -7.606 1.00 0.00 H new ATOM 101 N ILE A 6 13.284 -5.167 -10.131 1.00 0.00 N ATOM 102 CA ILE A 6 13.373 -5.566 -11.532 1.00 0.00 C ATOM 103 C ILE A 6 14.848 -5.519 -11.919 1.00 0.00 C ATOM 104 O ILE A 6 15.578 -4.625 -11.491 1.00 0.00 O ATOM 105 CB ILE A 6 12.455 -4.688 -12.428 1.00 0.00 C ATOM 106 CG1 ILE A 6 10.982 -4.931 -12.032 1.00 0.00 C ATOM 107 CG2 ILE A 6 12.652 -4.968 -13.932 1.00 0.00 C ATOM 108 CD1 ILE A 6 9.928 -4.210 -12.873 1.00 0.00 C ATOM 0 H ILE A 6 13.822 -4.328 -9.914 1.00 0.00 H new ATOM 0 HA ILE A 6 13.005 -6.581 -11.684 1.00 0.00 H new ATOM 0 HB ILE A 6 12.727 -3.645 -12.264 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.786 -6.002 -12.082 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.853 -4.632 -10.992 1.00 0.00 H new ATOM 0 HG21 ILE A 6 11.987 -4.328 -14.511 1.00 0.00 H new ATOM 0 HG22 ILE A 6 13.686 -4.761 -14.208 1.00 0.00 H new ATOM 0 HG23 ILE A 6 12.423 -6.013 -14.141 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.934 -4.458 -12.501 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.083 -3.133 -12.806 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.015 -4.525 -13.913 1.00 0.00 H new ATOM 120 N ILE A 7 15.270 -6.470 -12.746 1.00 0.00 N ATOM 121 CA ILE A 7 16.596 -6.539 -13.339 1.00 0.00 C ATOM 122 C ILE A 7 16.382 -6.350 -14.837 1.00 0.00 C ATOM 123 O ILE A 7 15.385 -6.843 -15.372 1.00 0.00 O ATOM 124 CB ILE A 7 17.278 -7.896 -13.040 1.00 0.00 C ATOM 125 CG1 ILE A 7 17.155 -8.362 -11.571 1.00 0.00 C ATOM 126 CG2 ILE A 7 18.754 -7.873 -13.472 1.00 0.00 C ATOM 127 CD1 ILE A 7 17.755 -7.402 -10.539 1.00 0.00 C ATOM 0 H ILE A 7 14.671 -7.244 -13.032 1.00 0.00 H new ATOM 0 HA ILE A 7 17.257 -5.777 -12.927 1.00 0.00 H new ATOM 0 HB ILE A 7 16.731 -8.630 -13.632 1.00 0.00 H new ATOM 0 HG12 ILE A 7 16.100 -8.510 -11.339 1.00 0.00 H new ATOM 0 HG13 ILE A 7 17.642 -9.332 -11.470 1.00 0.00 H new ATOM 0 HG21 ILE A 7 19.213 -8.837 -13.252 1.00 0.00 H new ATOM 0 HG22 ILE A 7 18.817 -7.677 -14.542 1.00 0.00 H new ATOM 0 HG23 ILE A 7 19.280 -7.089 -12.928 1.00 0.00 H new ATOM 0 HD11 ILE A 7 17.621 -7.813 -9.538 1.00 0.00 H new ATOM 0 HD12 ILE A 7 18.819 -7.272 -10.738 1.00 0.00 H new ATOM 0 HD13 ILE A 7 17.253 -6.437 -10.605 1.00 0.00 H new ATOM 139 N VAL A 8 17.300 -5.663 -15.515 1.00 0.00 N ATOM 140 CA VAL A 8 17.202 -5.395 -16.945 1.00 0.00 C ATOM 141 C VAL A 8 18.585 -5.632 -17.555 1.00 0.00 C ATOM 142 O VAL A 8 19.588 -5.183 -16.994 1.00 0.00 O ATOM 143 CB VAL A 8 16.696 -3.952 -17.179 1.00 0.00 C ATOM 144 CG1 VAL A 8 16.370 -3.707 -18.656 1.00 0.00 C ATOM 145 CG2 VAL A 8 15.430 -3.613 -16.374 1.00 0.00 C ATOM 0 H VAL A 8 18.138 -5.275 -15.082 1.00 0.00 H new ATOM 0 HA VAL A 8 16.483 -6.058 -17.426 1.00 0.00 H new ATOM 0 HB VAL A 8 17.514 -3.314 -16.845 1.00 0.00 H new ATOM 0 HG11 VAL A 8 16.017 -2.684 -18.786 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.266 -3.861 -19.257 1.00 0.00 H new ATOM 0 HG13 VAL A 8 15.594 -4.402 -18.977 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.129 -2.587 -16.584 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.626 -4.292 -16.657 1.00 0.00 H new ATOM 0 HG23 VAL A 8 15.637 -3.719 -15.309 1.00 0.00 H new ATOM 155 N ASP A 9 18.625 -6.318 -18.700 1.00 0.00 N ATOM 156 CA ASP A 9 19.821 -6.642 -19.477 1.00 0.00 C ATOM 157 C ASP A 9 19.637 -6.140 -20.915 1.00 0.00 C ATOM 158 O ASP A 9 18.500 -6.004 -21.383 1.00 0.00 O ATOM 159 CB ASP A 9 20.048 -8.159 -19.505 1.00 0.00 C ATOM 160 CG ASP A 9 21.363 -8.521 -20.222 1.00 0.00 C ATOM 161 OD1 ASP A 9 22.327 -7.722 -20.150 1.00 0.00 O ATOM 162 OD2 ASP A 9 21.447 -9.620 -20.813 1.00 0.00 O ATOM 0 H ASP A 9 17.776 -6.682 -19.133 1.00 0.00 H new ATOM 0 HA ASP A 9 20.683 -6.162 -19.014 1.00 0.00 H new ATOM 0 HB2 ASP A 9 20.071 -8.543 -18.485 1.00 0.00 H new ATOM 0 HB3 ASP A 9 19.212 -8.644 -20.010 1.00 0.00 H new ATOM 167 N GLY A 10 20.740 -5.876 -21.617 1.00 0.00 N ATOM 168 CA GLY A 10 20.765 -5.456 -23.010 1.00 0.00 C ATOM 169 C GLY A 10 21.718 -4.283 -23.214 1.00 0.00 C ATOM 170 O GLY A 10 22.614 -4.039 -22.400 1.00 0.00 O ATOM 0 H GLY A 10 21.673 -5.953 -21.212 1.00 0.00 H new ATOM 0 HA2 GLY A 10 21.072 -6.291 -23.639 1.00 0.00 H new ATOM 0 HA3 GLY A 10 19.761 -5.172 -23.325 1.00 0.00 H new ATOM 174 N ARG A 11 21.499 -3.519 -24.286 1.00 0.00 N ATOM 175 CA ARG A 11 22.021 -2.159 -24.425 1.00 0.00 C ATOM 176 C ARG A 11 21.210 -1.293 -23.463 1.00 0.00 C ATOM 177 O ARG A 11 20.231 -0.668 -23.873 1.00 0.00 O ATOM 178 CB ARG A 11 21.904 -1.724 -25.900 1.00 0.00 C ATOM 179 CG ARG A 11 22.303 -0.267 -26.193 1.00 0.00 C ATOM 180 CD ARG A 11 22.001 0.071 -27.661 1.00 0.00 C ATOM 181 NE ARG A 11 21.730 1.506 -27.844 1.00 0.00 N ATOM 182 CZ ARG A 11 22.574 2.457 -28.254 1.00 0.00 C ATOM 183 NH1 ARG A 11 23.846 2.183 -28.532 1.00 0.00 N ATOM 184 NH2 ARG A 11 22.107 3.695 -28.373 1.00 0.00 N ATOM 0 H ARG A 11 20.950 -3.829 -25.088 1.00 0.00 H new ATOM 0 HA ARG A 11 23.077 -2.071 -24.171 1.00 0.00 H new ATOM 0 HB2 ARG A 11 22.527 -2.382 -26.506 1.00 0.00 H new ATOM 0 HB3 ARG A 11 20.874 -1.873 -26.224 1.00 0.00 H new ATOM 0 HG2 ARG A 11 21.756 0.409 -25.535 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.364 -0.123 -25.988 1.00 0.00 H new ATOM 0 HD2 ARG A 11 22.847 -0.222 -28.283 1.00 0.00 H new ATOM 0 HD3 ARG A 11 21.141 -0.508 -27.998 1.00 0.00 H new ATOM 0 HE ARG A 11 20.781 1.812 -27.632 1.00 0.00 H new ATOM 0 HH11 ARG A 11 24.196 1.230 -28.434 1.00 0.00 H new ATOM 0 HH12 ARG A 11 24.471 2.926 -28.843 1.00 0.00 H new ATOM 0 HH21 ARG A 11 21.131 3.895 -28.154 1.00 0.00 H new ATOM 0 HH22 ARG A 11 22.724 4.445 -28.684 1.00 0.00 H new ATOM 198 N VAL A 12 21.548 -1.331 -22.176 1.00 0.00 N ATOM 199 CA VAL A 12 20.768 -0.695 -21.113 1.00 0.00 C ATOM 200 C VAL A 12 21.667 0.052 -20.119 1.00 0.00 C ATOM 201 O VAL A 12 21.179 0.534 -19.103 1.00 0.00 O ATOM 202 CB VAL A 12 19.831 -1.724 -20.436 1.00 0.00 C ATOM 203 CG1 VAL A 12 18.866 -2.356 -21.450 1.00 0.00 C ATOM 204 CG2 VAL A 12 20.581 -2.837 -19.690 1.00 0.00 C ATOM 0 H VAL A 12 22.382 -1.810 -21.836 1.00 0.00 H new ATOM 0 HA VAL A 12 20.129 0.067 -21.560 1.00 0.00 H new ATOM 0 HB VAL A 12 19.268 -1.154 -19.697 1.00 0.00 H new ATOM 0 HG11 VAL A 12 18.222 -3.074 -20.941 1.00 0.00 H new ATOM 0 HG12 VAL A 12 18.253 -1.577 -21.904 1.00 0.00 H new ATOM 0 HG13 VAL A 12 19.437 -2.867 -22.226 1.00 0.00 H new ATOM 0 HG21 VAL A 12 19.862 -3.522 -19.240 1.00 0.00 H new ATOM 0 HG22 VAL A 12 21.213 -3.383 -20.391 1.00 0.00 H new ATOM 0 HG23 VAL A 12 21.201 -2.397 -18.909 1.00 0.00 H new ATOM 214 N GLN A 13 22.967 0.182 -20.406 1.00 0.00 N ATOM 215 CA GLN A 13 23.885 1.098 -19.735 1.00 0.00 C ATOM 216 C GLN A 13 24.826 1.657 -20.808 1.00 0.00 C ATOM 217 O GLN A 13 24.843 1.163 -21.940 1.00 0.00 O ATOM 218 CB GLN A 13 24.659 0.404 -18.595 1.00 0.00 C ATOM 219 CG GLN A 13 23.731 -0.093 -17.477 1.00 0.00 C ATOM 220 CD GLN A 13 24.461 -0.318 -16.159 1.00 0.00 C ATOM 221 OE1 GLN A 13 24.536 0.583 -15.327 1.00 0.00 O ATOM 222 NE2 GLN A 13 25.006 -1.496 -15.923 1.00 0.00 N ATOM 0 H GLN A 13 23.420 -0.367 -21.136 1.00 0.00 H new ATOM 0 HA GLN A 13 23.332 1.907 -19.257 1.00 0.00 H new ATOM 0 HB2 GLN A 13 25.219 -0.439 -19.000 1.00 0.00 H new ATOM 0 HB3 GLN A 13 25.387 1.100 -18.177 1.00 0.00 H new ATOM 0 HG2 GLN A 13 22.932 0.633 -17.325 1.00 0.00 H new ATOM 0 HG3 GLN A 13 23.260 -1.025 -17.790 1.00 0.00 H new ATOM 0 HE21 GLN A 13 24.939 -2.238 -16.620 1.00 0.00 H new ATOM 0 HE22 GLN A 13 25.495 -1.665 -15.044 1.00 0.00 H new ATOM 231 N GLY A 14 25.563 2.723 -20.491 1.00 0.00 N ATOM 232 CA GLY A 14 26.279 3.533 -21.473 1.00 0.00 C ATOM 233 C GLY A 14 25.302 4.505 -22.136 1.00 0.00 C ATOM 234 O GLY A 14 25.518 5.719 -22.104 1.00 0.00 O ATOM 0 H GLY A 14 25.680 3.051 -19.532 1.00 0.00 H new ATOM 0 HA2 GLY A 14 27.085 4.084 -20.989 1.00 0.00 H new ATOM 0 HA3 GLY A 14 26.738 2.891 -22.225 1.00 0.00 H new ATOM 238 N VAL A 15 24.172 3.991 -22.631 1.00 0.00 N ATOM 239 CA VAL A 15 22.943 4.767 -22.765 1.00 0.00 C ATOM 240 C VAL A 15 22.525 5.266 -21.373 1.00 0.00 C ATOM 241 O VAL A 15 22.778 4.593 -20.368 1.00 0.00 O ATOM 242 CB VAL A 15 21.839 3.927 -23.450 1.00 0.00 C ATOM 243 CG1 VAL A 15 22.184 3.691 -24.926 1.00 0.00 C ATOM 244 CG2 VAL A 15 21.585 2.558 -22.792 1.00 0.00 C ATOM 0 H VAL A 15 24.087 3.026 -22.949 1.00 0.00 H new ATOM 0 HA VAL A 15 23.109 5.633 -23.406 1.00 0.00 H new ATOM 0 HB VAL A 15 20.928 4.516 -23.341 1.00 0.00 H new ATOM 0 HG11 VAL A 15 21.397 3.099 -25.393 1.00 0.00 H new ATOM 0 HG12 VAL A 15 22.269 4.650 -25.438 1.00 0.00 H new ATOM 0 HG13 VAL A 15 23.131 3.157 -24.997 1.00 0.00 H new ATOM 0 HG21 VAL A 15 20.797 2.035 -23.334 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.500 1.966 -22.820 1.00 0.00 H new ATOM 0 HG23 VAL A 15 21.278 2.703 -21.756 1.00 0.00 H new ATOM 254 N GLY A 16 21.855 6.418 -21.301 1.00 0.00 N ATOM 255 CA GLY A 16 21.462 7.069 -20.050 1.00 0.00 C ATOM 256 C GLY A 16 20.236 6.429 -19.397 1.00 0.00 C ATOM 257 O GLY A 16 19.410 7.133 -18.817 1.00 0.00 O ATOM 0 H GLY A 16 21.564 6.936 -22.130 1.00 0.00 H new ATOM 0 HA2 GLY A 16 22.298 7.033 -19.351 1.00 0.00 H new ATOM 0 HA3 GLY A 16 21.254 8.121 -20.245 1.00 0.00 H new ATOM 261 N PHE A 17 20.069 5.110 -19.516 1.00 0.00 N ATOM 262 CA PHE A 17 18.859 4.429 -19.074 1.00 0.00 C ATOM 263 C PHE A 17 18.637 4.581 -17.568 1.00 0.00 C ATOM 264 O PHE A 17 17.493 4.724 -17.151 1.00 0.00 O ATOM 265 CB PHE A 17 18.907 2.954 -19.479 1.00 0.00 C ATOM 266 CG PHE A 17 17.671 2.151 -19.108 1.00 0.00 C ATOM 267 CD1 PHE A 17 16.390 2.612 -19.463 1.00 0.00 C ATOM 268 CD2 PHE A 17 17.795 0.949 -18.385 1.00 0.00 C ATOM 269 CE1 PHE A 17 15.245 1.890 -19.090 1.00 0.00 C ATOM 270 CE2 PHE A 17 16.652 0.211 -18.032 1.00 0.00 C ATOM 271 CZ PHE A 17 15.375 0.677 -18.390 1.00 0.00 C ATOM 0 H PHE A 17 20.769 4.489 -19.921 1.00 0.00 H new ATOM 0 HA PHE A 17 18.009 4.900 -19.568 1.00 0.00 H new ATOM 0 HB2 PHE A 17 19.053 2.892 -20.557 1.00 0.00 H new ATOM 0 HB3 PHE A 17 19.777 2.492 -19.013 1.00 0.00 H new ATOM 0 HD1 PHE A 17 16.287 3.528 -20.026 1.00 0.00 H new ATOM 0 HD2 PHE A 17 18.774 0.592 -18.100 1.00 0.00 H new ATOM 0 HE1 PHE A 17 14.264 2.266 -19.341 1.00 0.00 H new ATOM 0 HE2 PHE A 17 16.755 -0.715 -17.485 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.497 0.106 -18.128 1.00 0.00 H new ATOM 281 N ARG A 18 19.687 4.632 -16.736 1.00 0.00 N ATOM 282 CA ARG A 18 19.496 4.842 -15.295 1.00 0.00 C ATOM 283 C ARG A 18 18.787 6.175 -15.028 1.00 0.00 C ATOM 284 O ARG A 18 17.919 6.234 -14.159 1.00 0.00 O ATOM 285 CB ARG A 18 20.824 4.756 -14.521 1.00 0.00 C ATOM 286 CG ARG A 18 21.538 3.397 -14.672 1.00 0.00 C ATOM 287 CD ARG A 18 22.692 3.222 -13.669 1.00 0.00 C ATOM 288 NE ARG A 18 23.673 4.323 -13.743 1.00 0.00 N ATOM 289 CZ ARG A 18 24.861 4.318 -14.366 1.00 0.00 C ATOM 290 NH1 ARG A 18 25.330 3.230 -14.970 1.00 0.00 N ATOM 291 NH2 ARG A 18 25.589 5.431 -14.382 1.00 0.00 N ATOM 0 H ARG A 18 20.659 4.533 -17.029 1.00 0.00 H new ATOM 0 HA ARG A 18 18.859 4.037 -14.930 1.00 0.00 H new ATOM 0 HB2 ARG A 18 21.489 5.547 -14.867 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.632 4.941 -13.464 1.00 0.00 H new ATOM 0 HG2 ARG A 18 20.815 2.593 -14.533 1.00 0.00 H new ATOM 0 HG3 ARG A 18 21.926 3.305 -15.687 1.00 0.00 H new ATOM 0 HD2 ARG A 18 22.287 3.167 -12.659 1.00 0.00 H new ATOM 0 HD3 ARG A 18 23.197 2.275 -13.862 1.00 0.00 H new ATOM 0 HE ARG A 18 23.418 5.187 -13.265 1.00 0.00 H new ATOM 0 HH11 ARG A 18 24.783 2.369 -14.968 1.00 0.00 H new ATOM 0 HH12 ARG A 18 26.237 3.256 -15.436 1.00 0.00 H new ATOM 0 HH21 ARG A 18 25.242 6.274 -13.924 1.00 0.00 H new ATOM 0 HH22 ARG A 18 26.494 5.442 -14.852 1.00 0.00 H new ATOM 305 N TYR A 19 19.102 7.226 -15.792 1.00 0.00 N ATOM 306 CA TYR A 19 18.423 8.516 -15.692 1.00 0.00 C ATOM 307 C TYR A 19 16.983 8.407 -16.212 1.00 0.00 C ATOM 308 O TYR A 19 16.075 8.971 -15.603 1.00 0.00 O ATOM 309 CB TYR A 19 19.222 9.576 -16.465 1.00 0.00 C ATOM 310 CG TYR A 19 18.654 10.983 -16.399 1.00 0.00 C ATOM 311 CD1 TYR A 19 19.063 11.862 -15.378 1.00 0.00 C ATOM 312 CD2 TYR A 19 17.746 11.425 -17.381 1.00 0.00 C ATOM 313 CE1 TYR A 19 18.583 13.184 -15.347 1.00 0.00 C ATOM 314 CE2 TYR A 19 17.254 12.741 -17.350 1.00 0.00 C ATOM 315 CZ TYR A 19 17.677 13.632 -16.337 1.00 0.00 C ATOM 316 OH TYR A 19 17.212 14.913 -16.334 1.00 0.00 O ATOM 0 H TYR A 19 19.838 7.203 -16.498 1.00 0.00 H new ATOM 0 HA TYR A 19 18.369 8.819 -14.646 1.00 0.00 H new ATOM 0 HB2 TYR A 19 20.241 9.594 -16.079 1.00 0.00 H new ATOM 0 HB3 TYR A 19 19.282 9.273 -17.510 1.00 0.00 H new ATOM 0 HD1 TYR A 19 19.748 11.520 -14.616 1.00 0.00 H new ATOM 0 HD2 TYR A 19 17.427 10.750 -18.161 1.00 0.00 H new ATOM 0 HE1 TYR A 19 18.906 13.857 -14.567 1.00 0.00 H new ATOM 0 HE2 TYR A 19 16.552 13.072 -18.101 1.00 0.00 H new ATOM 0 HH TYR A 19 16.601 15.041 -17.089 1.00 0.00 H new ATOM 326 N PHE A 20 16.748 7.655 -17.296 1.00 0.00 N ATOM 327 CA PHE A 20 15.399 7.408 -17.805 1.00 0.00 C ATOM 328 C PHE A 20 14.541 6.762 -16.713 1.00 0.00 C ATOM 329 O PHE A 20 13.487 7.289 -16.364 1.00 0.00 O ATOM 330 CB PHE A 20 15.449 6.538 -19.072 1.00 0.00 C ATOM 331 CG PHE A 20 14.114 6.373 -19.773 1.00 0.00 C ATOM 332 CD1 PHE A 20 13.665 7.347 -20.684 1.00 0.00 C ATOM 333 CD2 PHE A 20 13.326 5.231 -19.530 1.00 0.00 C ATOM 334 CE1 PHE A 20 12.437 7.179 -21.349 1.00 0.00 C ATOM 335 CE2 PHE A 20 12.105 5.057 -20.204 1.00 0.00 C ATOM 336 CZ PHE A 20 11.658 6.033 -21.112 1.00 0.00 C ATOM 0 H PHE A 20 17.485 7.205 -17.839 1.00 0.00 H new ATOM 0 HA PHE A 20 14.941 8.358 -18.080 1.00 0.00 H new ATOM 0 HB2 PHE A 20 16.161 6.977 -19.771 1.00 0.00 H new ATOM 0 HB3 PHE A 20 15.830 5.552 -18.806 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.264 8.225 -20.873 1.00 0.00 H new ATOM 0 HD2 PHE A 20 13.661 4.486 -18.823 1.00 0.00 H new ATOM 0 HE1 PHE A 20 12.092 7.931 -22.043 1.00 0.00 H new ATOM 0 HE2 PHE A 20 11.510 4.174 -20.024 1.00 0.00 H new ATOM 0 HZ PHE A 20 10.718 5.902 -21.627 1.00 0.00 H new ATOM 346 N VAL A 21 15.023 5.668 -16.117 1.00 0.00 N ATOM 347 CA VAL A 21 14.354 4.967 -15.029 1.00 0.00 C ATOM 348 C VAL A 21 14.134 5.925 -13.852 1.00 0.00 C ATOM 349 O VAL A 21 13.039 5.941 -13.290 1.00 0.00 O ATOM 350 CB VAL A 21 15.180 3.718 -14.643 1.00 0.00 C ATOM 351 CG1 VAL A 21 14.605 2.968 -13.440 1.00 0.00 C ATOM 352 CG2 VAL A 21 15.228 2.704 -15.794 1.00 0.00 C ATOM 0 H VAL A 21 15.908 5.240 -16.387 1.00 0.00 H new ATOM 0 HA VAL A 21 13.369 4.621 -15.342 1.00 0.00 H new ATOM 0 HB VAL A 21 16.170 4.105 -14.403 1.00 0.00 H new ATOM 0 HG11 VAL A 21 15.229 2.102 -13.219 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.584 3.630 -12.575 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.592 2.636 -13.668 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.816 1.838 -15.491 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.215 2.387 -16.042 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.687 3.167 -16.668 1.00 0.00 H new ATOM 362 N GLN A 22 15.130 6.750 -13.503 1.00 0.00 N ATOM 363 CA GLN A 22 15.019 7.707 -12.409 1.00 0.00 C ATOM 364 C GLN A 22 13.818 8.629 -12.614 1.00 0.00 C ATOM 365 O GLN A 22 13.001 8.799 -11.707 1.00 0.00 O ATOM 366 CB GLN A 22 16.331 8.517 -12.281 1.00 0.00 C ATOM 367 CG GLN A 22 16.379 9.421 -11.035 1.00 0.00 C ATOM 368 CD GLN A 22 16.413 8.648 -9.719 1.00 0.00 C ATOM 369 OE1 GLN A 22 16.869 7.407 -9.744 1.00 0.00 O flip ATOM 370 NE2 GLN A 22 16.011 9.150 -8.678 1.00 0.00 N flip ATOM 0 H GLN A 22 16.034 6.768 -13.976 1.00 0.00 H new ATOM 0 HA GLN A 22 14.859 7.161 -11.479 1.00 0.00 H new ATOM 0 HB2 GLN A 22 17.173 7.826 -12.251 1.00 0.00 H new ATOM 0 HB3 GLN A 22 16.456 9.133 -13.171 1.00 0.00 H new ATOM 0 HG2 GLN A 22 17.260 10.060 -11.094 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.509 10.077 -11.039 1.00 0.00 H new ATOM 0 HE21 GLN A 22 15.662 10.109 -8.675 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.025 8.610 -7.813 1.00 0.00 H new ATOM 379 N MET A 23 13.708 9.223 -13.800 1.00 0.00 N ATOM 380 CA MET A 23 12.713 10.253 -14.052 1.00 0.00 C ATOM 381 C MET A 23 11.336 9.641 -14.309 1.00 0.00 C ATOM 382 O MET A 23 10.328 10.246 -13.943 1.00 0.00 O ATOM 383 CB MET A 23 13.196 11.165 -15.187 1.00 0.00 C ATOM 384 CG MET A 23 14.457 11.928 -14.749 1.00 0.00 C ATOM 385 SD MET A 23 14.199 13.070 -13.357 1.00 0.00 S ATOM 386 CE MET A 23 15.918 13.504 -12.981 1.00 0.00 C ATOM 0 H MET A 23 14.300 9.005 -14.602 1.00 0.00 H new ATOM 0 HA MET A 23 12.594 10.874 -13.164 1.00 0.00 H new ATOM 0 HB2 MET A 23 13.411 10.571 -16.075 1.00 0.00 H new ATOM 0 HB3 MET A 23 12.410 11.870 -15.457 1.00 0.00 H new ATOM 0 HG2 MET A 23 15.226 11.206 -14.473 1.00 0.00 H new ATOM 0 HG3 MET A 23 14.839 12.492 -15.600 1.00 0.00 H new ATOM 0 HE1 MET A 23 15.959 14.041 -12.033 1.00 0.00 H new ATOM 0 HE2 MET A 23 16.515 12.595 -12.909 1.00 0.00 H new ATOM 0 HE3 MET A 23 16.315 14.137 -13.774 1.00 0.00 H new ATOM 396 N GLU A 24 11.268 8.423 -14.856 1.00 0.00 N ATOM 397 CA GLU A 24 10.010 7.699 -14.978 1.00 0.00 C ATOM 398 C GLU A 24 9.480 7.307 -13.592 1.00 0.00 C ATOM 399 O GLU A 24 8.284 7.452 -13.345 1.00 0.00 O ATOM 400 CB GLU A 24 10.167 6.479 -15.901 1.00 0.00 C ATOM 401 CG GLU A 24 10.342 6.860 -17.382 1.00 0.00 C ATOM 402 CD GLU A 24 9.108 7.578 -17.947 1.00 0.00 C ATOM 403 OE1 GLU A 24 8.150 6.908 -18.395 1.00 0.00 O ATOM 404 OE2 GLU A 24 9.049 8.828 -17.903 1.00 0.00 O ATOM 0 H GLU A 24 12.077 7.920 -15.221 1.00 0.00 H new ATOM 0 HA GLU A 24 9.272 8.356 -15.438 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.029 5.895 -15.578 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.291 5.838 -15.798 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.215 7.504 -17.489 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.536 5.960 -17.966 1.00 0.00 H new ATOM 411 N ALA A 25 10.342 6.884 -12.662 1.00 0.00 N ATOM 412 CA ALA A 25 9.918 6.619 -11.291 1.00 0.00 C ATOM 413 C ALA A 25 9.433 7.907 -10.628 1.00 0.00 C ATOM 414 O ALA A 25 8.409 7.897 -9.942 1.00 0.00 O ATOM 415 CB ALA A 25 11.075 6.044 -10.478 1.00 0.00 C ATOM 0 H ALA A 25 11.333 6.719 -12.836 1.00 0.00 H new ATOM 0 HA ALA A 25 9.103 5.896 -11.321 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.743 5.852 -9.458 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.411 5.112 -10.932 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.899 6.757 -10.463 1.00 0.00 H new ATOM 421 N ASP A 26 10.157 9.013 -10.835 1.00 0.00 N ATOM 422 CA ASP A 26 9.832 10.302 -10.237 1.00 0.00 C ATOM 423 C ASP A 26 8.472 10.815 -10.710 1.00 0.00 C ATOM 424 O ASP A 26 7.658 11.212 -9.877 1.00 0.00 O ATOM 425 CB ASP A 26 10.918 11.337 -10.542 1.00 0.00 C ATOM 426 CG ASP A 26 10.547 12.700 -9.934 1.00 0.00 C ATOM 427 OD1 ASP A 26 10.705 12.878 -8.705 1.00 0.00 O ATOM 428 OD2 ASP A 26 10.116 13.605 -10.682 1.00 0.00 O ATOM 0 H ASP A 26 10.988 9.033 -11.426 1.00 0.00 H new ATOM 0 HA ASP A 26 9.782 10.152 -9.158 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.873 11.000 -10.139 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.043 11.435 -11.620 1.00 0.00 H new ATOM 433 N LYS A 27 8.169 10.758 -12.015 1.00 0.00 N ATOM 434 CA LYS A 27 6.857 11.187 -12.504 1.00 0.00 C ATOM 435 C LYS A 27 5.744 10.233 -12.061 1.00 0.00 C ATOM 436 O LYS A 27 4.607 10.671 -11.894 1.00 0.00 O ATOM 437 CB LYS A 27 6.880 11.496 -14.016 1.00 0.00 C ATOM 438 CG LYS A 27 6.973 10.301 -14.978 1.00 0.00 C ATOM 439 CD LYS A 27 5.605 9.741 -15.406 1.00 0.00 C ATOM 440 CE LYS A 27 5.746 8.537 -16.350 1.00 0.00 C ATOM 441 NZ LYS A 27 6.303 8.895 -17.677 1.00 0.00 N ATOM 0 H LYS A 27 8.806 10.424 -12.739 1.00 0.00 H new ATOM 0 HA LYS A 27 6.613 12.138 -12.030 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.977 12.056 -14.260 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.726 12.154 -14.213 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.525 10.604 -15.867 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.548 9.507 -14.502 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.042 9.444 -14.521 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.031 10.525 -15.901 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.389 7.791 -15.883 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.768 8.075 -16.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.373 8.041 -18.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.679 9.585 -18.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.249 9.310 -17.556 1.00 0.00 H new ATOM 455 N ARG A 28 6.056 8.955 -11.807 1.00 0.00 N ATOM 456 CA ARG A 28 5.135 8.011 -11.164 1.00 0.00 C ATOM 457 C ARG A 28 5.127 8.155 -9.631 1.00 0.00 C ATOM 458 O ARG A 28 4.434 7.386 -8.965 1.00 0.00 O ATOM 459 CB ARG A 28 5.469 6.570 -11.614 1.00 0.00 C ATOM 460 CG ARG A 28 5.225 6.288 -13.109 1.00 0.00 C ATOM 461 CD ARG A 28 3.771 6.509 -13.545 1.00 0.00 C ATOM 462 NE ARG A 28 3.582 6.211 -14.979 1.00 0.00 N ATOM 463 CZ ARG A 28 2.514 6.565 -15.712 1.00 0.00 C ATOM 464 NH1 ARG A 28 1.490 7.206 -15.155 1.00 0.00 N ATOM 465 NH2 ARG A 28 2.479 6.274 -17.009 1.00 0.00 N ATOM 0 H ARG A 28 6.960 8.546 -12.044 1.00 0.00 H new ATOM 0 HA ARG A 28 4.121 8.247 -11.486 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.515 6.366 -11.386 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.873 5.873 -11.025 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.875 6.931 -13.702 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.509 5.258 -13.327 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.112 5.875 -12.951 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.484 7.542 -13.346 1.00 0.00 H new ATOM 0 HE ARG A 28 4.323 5.694 -15.451 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.511 7.434 -14.161 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.684 7.470 -15.722 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.261 5.784 -17.443 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.670 6.541 -17.570 1.00 0.00 H new ATOM 479 N LYS A 29 5.840 9.138 -9.063 1.00 0.00 N ATOM 480 CA LYS A 29 5.945 9.427 -7.628 1.00 0.00 C ATOM 481 C LYS A 29 6.290 8.184 -6.795 1.00 0.00 C ATOM 482 O LYS A 29 5.841 8.049 -5.654 1.00 0.00 O ATOM 483 CB LYS A 29 4.694 10.187 -7.145 1.00 0.00 C ATOM 484 CG LYS A 29 4.483 11.509 -7.902 1.00 0.00 C ATOM 485 CD LYS A 29 3.250 12.252 -7.374 1.00 0.00 C ATOM 486 CE LYS A 29 3.062 13.570 -8.137 1.00 0.00 C ATOM 487 NZ LYS A 29 1.878 14.329 -7.662 1.00 0.00 N ATOM 0 H LYS A 29 6.389 9.788 -9.625 1.00 0.00 H new ATOM 0 HA LYS A 29 6.796 10.090 -7.470 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.816 9.554 -7.273 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.786 10.393 -6.079 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.366 12.139 -7.794 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.363 11.308 -8.967 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.364 11.628 -7.487 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.365 12.453 -6.309 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.955 14.184 -8.023 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.954 13.360 -9.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.790 15.211 -8.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.021 13.754 -7.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.992 14.554 -6.653 1.00 0.00 H new ATOM 501 N LEU A 30 7.071 7.263 -7.363 1.00 0.00 N ATOM 502 CA LEU A 30 7.566 6.078 -6.669 1.00 0.00 C ATOM 503 C LEU A 30 8.749 6.465 -5.777 1.00 0.00 C ATOM 504 O LEU A 30 9.338 7.538 -5.945 1.00 0.00 O ATOM 505 CB LEU A 30 7.972 5.006 -7.695 1.00 0.00 C ATOM 506 CG LEU A 30 6.804 4.517 -8.577 1.00 0.00 C ATOM 507 CD1 LEU A 30 7.301 3.466 -9.564 1.00 0.00 C ATOM 508 CD2 LEU A 30 5.642 3.919 -7.778 1.00 0.00 C ATOM 0 H LEU A 30 7.381 7.323 -8.333 1.00 0.00 H new ATOM 0 HA LEU A 30 6.780 5.664 -6.038 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.756 5.408 -8.336 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.398 4.153 -7.167 1.00 0.00 H new ATOM 0 HG LEU A 30 6.429 5.400 -9.094 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.470 3.126 -10.183 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.073 3.900 -10.200 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.715 2.620 -9.016 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.857 3.597 -8.463 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.997 3.063 -7.204 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.243 4.671 -7.098 1.00 0.00 H new ATOM 520 N ALA A 31 9.130 5.576 -4.859 1.00 0.00 N ATOM 521 CA ALA A 31 10.305 5.724 -4.002 1.00 0.00 C ATOM 522 C ALA A 31 11.110 4.421 -4.040 1.00 0.00 C ATOM 523 O ALA A 31 10.538 3.370 -4.333 1.00 0.00 O ATOM 524 CB ALA A 31 9.861 6.088 -2.580 1.00 0.00 C ATOM 0 H ALA A 31 8.616 4.712 -4.687 1.00 0.00 H new ATOM 0 HA ALA A 31 10.946 6.530 -4.359 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.738 6.198 -1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.307 7.027 -2.601 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.222 5.298 -2.185 1.00 0.00 H new ATOM 530 N GLY A 32 12.430 4.480 -3.825 1.00 0.00 N ATOM 531 CA GLY A 32 13.320 3.341 -4.048 1.00 0.00 C ATOM 532 C GLY A 32 14.615 3.761 -4.745 1.00 0.00 C ATOM 533 O GLY A 32 15.090 4.883 -4.538 1.00 0.00 O ATOM 0 H GLY A 32 12.907 5.318 -3.492 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.557 2.872 -3.093 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.808 2.592 -4.653 1.00 0.00 H new ATOM 537 N TRP A 33 15.197 2.881 -5.566 1.00 0.00 N ATOM 538 CA TRP A 33 16.448 3.141 -6.268 1.00 0.00 C ATOM 539 C TRP A 33 16.513 2.506 -7.658 1.00 0.00 C ATOM 540 O TRP A 33 15.776 1.573 -7.981 1.00 0.00 O ATOM 541 CB TRP A 33 17.643 2.668 -5.419 1.00 0.00 C ATOM 542 CG TRP A 33 17.771 1.201 -5.101 1.00 0.00 C ATOM 543 CD1 TRP A 33 17.986 0.199 -5.989 1.00 0.00 C ATOM 544 CD2 TRP A 33 17.787 0.559 -3.786 1.00 0.00 C ATOM 545 NE1 TRP A 33 18.132 -1.000 -5.323 1.00 0.00 N ATOM 546 CE2 TRP A 33 18.047 -0.833 -3.962 1.00 0.00 C ATOM 547 CE3 TRP A 33 17.632 1.013 -2.458 1.00 0.00 C ATOM 548 CZ2 TRP A 33 18.170 -1.721 -2.886 1.00 0.00 C ATOM 549 CZ3 TRP A 33 17.739 0.128 -1.366 1.00 0.00 C ATOM 550 CH2 TRP A 33 18.011 -1.236 -1.577 1.00 0.00 C ATOM 0 H TRP A 33 14.805 1.960 -5.761 1.00 0.00 H new ATOM 0 HA TRP A 33 16.496 4.220 -6.416 1.00 0.00 H new ATOM 0 HB2 TRP A 33 18.554 2.975 -5.932 1.00 0.00 H new ATOM 0 HB3 TRP A 33 17.611 3.209 -4.473 1.00 0.00 H new ATOM 0 HD1 TRP A 33 18.036 0.322 -7.061 1.00 0.00 H new ATOM 0 HE1 TRP A 33 18.284 -1.898 -5.783 1.00 0.00 H new ATOM 0 HE3 TRP A 33 17.428 2.058 -2.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 18.384 -2.765 -3.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 17.611 0.500 -0.360 1.00 0.00 H new ATOM 0 HH2 TRP A 33 18.097 -1.908 -0.736 1.00 0.00 H new ATOM 561 N VAL A 34 17.507 2.937 -8.435 1.00 0.00 N ATOM 562 CA VAL A 34 18.063 2.213 -9.572 1.00 0.00 C ATOM 563 C VAL A 34 19.588 2.259 -9.439 1.00 0.00 C ATOM 564 O VAL A 34 20.142 3.241 -8.933 1.00 0.00 O ATOM 565 CB VAL A 34 17.520 2.786 -10.903 1.00 0.00 C ATOM 566 CG1 VAL A 34 17.699 4.305 -11.047 1.00 0.00 C ATOM 567 CG2 VAL A 34 18.148 2.101 -12.127 1.00 0.00 C ATOM 0 H VAL A 34 17.963 3.836 -8.281 1.00 0.00 H new ATOM 0 HA VAL A 34 17.756 1.167 -9.580 1.00 0.00 H new ATOM 0 HB VAL A 34 16.451 2.575 -10.866 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.294 4.630 -12.005 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.171 4.812 -10.239 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.759 4.553 -10.999 1.00 0.00 H new ATOM 0 HG21 VAL A 34 17.737 2.536 -13.038 1.00 0.00 H new ATOM 0 HG22 VAL A 34 19.228 2.246 -12.111 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.925 1.034 -12.101 1.00 0.00 H new ATOM 577 N LYS A 35 20.274 1.200 -9.872 1.00 0.00 N ATOM 578 CA LYS A 35 21.730 1.120 -9.854 1.00 0.00 C ATOM 579 C LYS A 35 22.260 0.209 -10.952 1.00 0.00 C ATOM 580 O LYS A 35 21.545 -0.651 -11.469 1.00 0.00 O ATOM 581 CB LYS A 35 22.219 0.628 -8.479 1.00 0.00 C ATOM 582 CG LYS A 35 21.638 -0.711 -8.008 1.00 0.00 C ATOM 583 CD LYS A 35 22.351 -1.174 -6.732 1.00 0.00 C ATOM 584 CE LYS A 35 21.999 -2.633 -6.431 1.00 0.00 C ATOM 585 NZ LYS A 35 22.616 -3.102 -5.169 1.00 0.00 N ATOM 0 H LYS A 35 19.826 0.365 -10.249 1.00 0.00 H new ATOM 0 HA LYS A 35 22.116 2.122 -10.039 1.00 0.00 H new ATOM 0 HB2 LYS A 35 23.305 0.541 -8.510 1.00 0.00 H new ATOM 0 HB3 LYS A 35 21.981 1.388 -7.735 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.569 -0.607 -7.820 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.752 -1.461 -8.790 1.00 0.00 H new ATOM 0 HD2 LYS A 35 23.429 -1.069 -6.851 1.00 0.00 H new ATOM 0 HD3 LYS A 35 22.060 -0.541 -5.894 1.00 0.00 H new ATOM 0 HE2 LYS A 35 20.916 -2.739 -6.367 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.333 -3.264 -7.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 22.353 -4.094 -5.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.651 -3.025 -5.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 22.278 -2.516 -4.379 1.00 0.00 H new ATOM 599 N ASN A 36 23.554 0.357 -11.239 1.00 0.00 N ATOM 600 CA ASN A 36 24.345 -0.693 -11.870 1.00 0.00 C ATOM 601 C ASN A 36 24.387 -1.881 -10.904 1.00 0.00 C ATOM 602 O ASN A 36 24.754 -1.703 -9.740 1.00 0.00 O ATOM 603 CB ASN A 36 25.771 -0.173 -12.114 1.00 0.00 C ATOM 604 CG ASN A 36 26.708 -1.302 -12.533 1.00 0.00 C ATOM 605 OD1 ASN A 36 26.603 -1.819 -13.638 1.00 0.00 O ATOM 606 ND2 ASN A 36 27.631 -1.708 -11.675 1.00 0.00 N ATOM 0 H ASN A 36 24.080 1.208 -11.040 1.00 0.00 H new ATOM 0 HA ASN A 36 23.910 -0.991 -12.824 1.00 0.00 H new ATOM 0 HB2 ASN A 36 25.753 0.594 -12.888 1.00 0.00 H new ATOM 0 HB3 ASN A 36 26.149 0.298 -11.207 1.00 0.00 H new ATOM 0 HD21 ASN A 36 28.268 -2.462 -11.931 1.00 0.00 H new ATOM 0 HD22 ASN A 36 27.705 -1.266 -10.759 1.00 0.00 H new ATOM 668 N ARG A 41 24.292 -5.829 -15.297 1.00 0.00 N ATOM 669 CA ARG A 41 22.880 -5.534 -15.501 1.00 0.00 C ATOM 670 C ARG A 41 22.509 -4.238 -14.775 1.00 0.00 C ATOM 671 O ARG A 41 23.303 -3.683 -14.014 1.00 0.00 O ATOM 672 CB ARG A 41 22.050 -6.731 -15.000 1.00 0.00 C ATOM 673 CG ARG A 41 21.609 -7.679 -16.119 1.00 0.00 C ATOM 674 CD ARG A 41 22.623 -8.617 -16.781 1.00 0.00 C ATOM 675 NE ARG A 41 23.565 -7.945 -17.691 1.00 0.00 N ATOM 676 CZ ARG A 41 24.899 -7.956 -17.633 1.00 0.00 C ATOM 677 NH1 ARG A 41 25.538 -8.549 -16.633 1.00 0.00 N ATOM 678 NH2 ARG A 41 25.594 -7.352 -18.590 1.00 0.00 N ATOM 0 HA ARG A 41 22.668 -5.384 -16.560 1.00 0.00 H new ATOM 0 HB2 ARG A 41 22.637 -7.290 -14.271 1.00 0.00 H new ATOM 0 HB3 ARG A 41 21.167 -6.359 -14.481 1.00 0.00 H new ATOM 0 HG2 ARG A 41 20.808 -8.300 -15.719 1.00 0.00 H new ATOM 0 HG3 ARG A 41 21.173 -7.066 -16.908 1.00 0.00 H new ATOM 0 HD2 ARG A 41 23.190 -9.128 -16.003 1.00 0.00 H new ATOM 0 HD3 ARG A 41 22.083 -9.383 -17.337 1.00 0.00 H new ATOM 0 HE ARG A 41 23.151 -7.409 -18.454 1.00 0.00 H new ATOM 0 HH11 ARG A 41 25.010 -9.007 -15.891 1.00 0.00 H new ATOM 0 HH12 ARG A 41 26.558 -8.547 -16.607 1.00 0.00 H new ATOM 0 HH21 ARG A 41 25.108 -6.887 -19.357 1.00 0.00 H new ATOM 0 HH22 ARG A 41 26.613 -7.353 -18.558 1.00 0.00 H new ATOM 692 N VAL A 42 21.279 -3.775 -14.966 1.00 0.00 N ATOM 693 CA VAL A 42 20.681 -2.734 -14.136 1.00 0.00 C ATOM 694 C VAL A 42 19.786 -3.455 -13.130 1.00 0.00 C ATOM 695 O VAL A 42 19.130 -4.435 -13.492 1.00 0.00 O ATOM 696 CB VAL A 42 19.908 -1.734 -15.023 1.00 0.00 C ATOM 697 CG1 VAL A 42 19.240 -0.609 -14.218 1.00 0.00 C ATOM 698 CG2 VAL A 42 20.854 -1.068 -16.029 1.00 0.00 C ATOM 0 H VAL A 42 20.664 -4.113 -15.706 1.00 0.00 H new ATOM 0 HA VAL A 42 21.426 -2.143 -13.603 1.00 0.00 H new ATOM 0 HB VAL A 42 19.137 -2.320 -15.523 1.00 0.00 H new ATOM 0 HG11 VAL A 42 18.713 0.061 -14.897 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.532 -1.039 -13.510 1.00 0.00 H new ATOM 0 HG13 VAL A 42 20.001 -0.049 -13.675 1.00 0.00 H new ATOM 0 HG21 VAL A 42 20.293 -0.366 -16.646 1.00 0.00 H new ATOM 0 HG22 VAL A 42 21.638 -0.533 -15.492 1.00 0.00 H new ATOM 0 HG23 VAL A 42 21.305 -1.830 -16.664 1.00 0.00 H new ATOM 708 N GLU A 43 19.731 -2.957 -11.893 1.00 0.00 N ATOM 709 CA GLU A 43 18.794 -3.392 -10.867 1.00 0.00 C ATOM 710 C GLU A 43 18.014 -2.159 -10.418 1.00 0.00 C ATOM 711 O GLU A 43 18.582 -1.086 -10.209 1.00 0.00 O ATOM 712 CB GLU A 43 19.534 -4.080 -9.702 1.00 0.00 C ATOM 713 CG GLU A 43 18.611 -4.364 -8.502 1.00 0.00 C ATOM 714 CD GLU A 43 19.247 -5.325 -7.480 1.00 0.00 C ATOM 715 OE1 GLU A 43 19.933 -4.846 -6.552 1.00 0.00 O ATOM 716 OE2 GLU A 43 19.027 -6.555 -7.576 1.00 0.00 O ATOM 0 H GLU A 43 20.358 -2.219 -11.573 1.00 0.00 H new ATOM 0 HA GLU A 43 18.102 -4.138 -11.257 1.00 0.00 H new ATOM 0 HB2 GLU A 43 19.966 -5.017 -10.053 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.362 -3.449 -9.378 1.00 0.00 H new ATOM 0 HG2 GLU A 43 18.365 -3.424 -8.007 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.674 -4.790 -8.862 1.00 0.00 H new ATOM 723 N ILE A 44 16.703 -2.322 -10.289 1.00 0.00 N ATOM 724 CA ILE A 44 15.719 -1.299 -9.986 1.00 0.00 C ATOM 725 C ILE A 44 14.919 -1.866 -8.816 1.00 0.00 C ATOM 726 O ILE A 44 14.648 -3.069 -8.790 1.00 0.00 O ATOM 727 CB ILE A 44 14.816 -1.097 -11.227 1.00 0.00 C ATOM 728 CG1 ILE A 44 15.621 -0.854 -12.526 1.00 0.00 C ATOM 729 CG2 ILE A 44 13.808 0.049 -11.010 1.00 0.00 C ATOM 730 CD1 ILE A 44 14.797 -1.141 -13.774 1.00 0.00 C ATOM 0 H ILE A 44 16.272 -3.240 -10.402 1.00 0.00 H new ATOM 0 HA ILE A 44 16.158 -0.333 -9.737 1.00 0.00 H new ATOM 0 HB ILE A 44 14.270 -2.032 -11.352 1.00 0.00 H new ATOM 0 HG12 ILE A 44 15.966 0.180 -12.550 1.00 0.00 H new ATOM 0 HG13 ILE A 44 16.509 -1.486 -12.525 1.00 0.00 H new ATOM 0 HG21 ILE A 44 13.190 0.164 -11.901 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.173 -0.182 -10.155 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.347 0.977 -10.821 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.403 -0.957 -14.661 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.474 -2.182 -13.765 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.923 -0.490 -13.790 1.00 0.00 H new ATOM 742 N LEU A 45 14.511 -1.034 -7.864 1.00 0.00 N ATOM 743 CA LEU A 45 13.697 -1.449 -6.729 1.00 0.00 C ATOM 744 C LEU A 45 12.800 -0.265 -6.401 1.00 0.00 C ATOM 745 O LEU A 45 13.318 0.834 -6.208 1.00 0.00 O ATOM 746 CB LEU A 45 14.629 -1.842 -5.569 1.00 0.00 C ATOM 747 CG LEU A 45 13.976 -2.730 -4.495 1.00 0.00 C ATOM 748 CD1 LEU A 45 15.054 -3.153 -3.494 1.00 0.00 C ATOM 749 CD2 LEU A 45 12.843 -2.036 -3.733 1.00 0.00 C ATOM 0 H LEU A 45 14.740 -0.040 -7.859 1.00 0.00 H new ATOM 0 HA LEU A 45 13.077 -2.321 -6.935 1.00 0.00 H new ATOM 0 HB2 LEU A 45 15.494 -2.364 -5.977 1.00 0.00 H new ATOM 0 HB3 LEU A 45 15.000 -0.933 -5.094 1.00 0.00 H new ATOM 0 HG LEU A 45 13.535 -3.584 -5.009 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.609 -3.784 -2.725 1.00 0.00 H new ATOM 0 HD12 LEU A 45 15.834 -3.710 -4.013 1.00 0.00 H new ATOM 0 HD13 LEU A 45 15.488 -2.267 -3.031 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.430 -2.721 -2.993 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.232 -1.150 -3.231 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.060 -1.742 -4.433 1.00 0.00 H new ATOM 761 N ALA A 46 11.479 -0.450 -6.385 1.00 0.00 N ATOM 762 CA ALA A 46 10.530 0.645 -6.242 1.00 0.00 C ATOM 763 C ALA A 46 9.323 0.218 -5.417 1.00 0.00 C ATOM 764 O ALA A 46 8.881 -0.927 -5.517 1.00 0.00 O ATOM 765 CB ALA A 46 10.066 1.099 -7.630 1.00 0.00 C ATOM 0 H ALA A 46 11.040 -1.367 -6.471 1.00 0.00 H new ATOM 0 HA ALA A 46 11.025 1.467 -5.726 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.355 1.919 -7.526 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.926 1.436 -8.209 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.586 0.266 -8.144 1.00 0.00 H new ATOM 771 N GLU A 47 8.755 1.159 -4.666 1.00 0.00 N ATOM 772 CA GLU A 47 7.523 1.021 -3.901 1.00 0.00 C ATOM 773 C GLU A 47 6.570 2.172 -4.250 1.00 0.00 C ATOM 774 O GLU A 47 7.019 3.248 -4.666 1.00 0.00 O ATOM 775 CB GLU A 47 7.838 0.994 -2.393 1.00 0.00 C ATOM 776 CG GLU A 47 8.135 2.399 -1.832 1.00 0.00 C ATOM 777 CD GLU A 47 8.710 2.380 -0.417 1.00 0.00 C ATOM 778 OE1 GLU A 47 8.215 1.604 0.426 1.00 0.00 O ATOM 779 OE2 GLU A 47 9.650 3.154 -0.140 1.00 0.00 O ATOM 0 H GLU A 47 9.166 2.088 -4.571 1.00 0.00 H new ATOM 0 HA GLU A 47 7.035 0.081 -4.158 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.994 0.562 -1.856 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.696 0.345 -2.215 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.837 2.905 -2.494 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.216 2.985 -1.834 1.00 0.00 H new ATOM 786 N GLY A 48 5.265 1.954 -4.058 1.00 0.00 N ATOM 787 CA GLY A 48 4.232 2.946 -4.342 1.00 0.00 C ATOM 788 C GLY A 48 2.882 2.289 -4.634 1.00 0.00 C ATOM 789 O GLY A 48 2.703 1.106 -4.330 1.00 0.00 O ATOM 0 H GLY A 48 4.896 1.074 -3.697 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.132 3.621 -3.492 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.534 3.552 -5.196 1.00 0.00 H new ATOM 793 N PRO A 49 1.909 3.034 -5.188 1.00 0.00 N ATOM 794 CA PRO A 49 0.643 2.483 -5.665 1.00 0.00 C ATOM 795 C PRO A 49 0.878 1.418 -6.739 1.00 0.00 C ATOM 796 O PRO A 49 1.594 1.663 -7.709 1.00 0.00 O ATOM 797 CB PRO A 49 -0.142 3.675 -6.234 1.00 0.00 C ATOM 798 CG PRO A 49 0.490 4.892 -5.562 1.00 0.00 C ATOM 799 CD PRO A 49 1.948 4.473 -5.390 1.00 0.00 C ATOM 0 HA PRO A 49 0.094 1.991 -4.862 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.054 3.729 -7.319 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.205 3.599 -6.003 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.397 5.786 -6.178 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.019 5.114 -4.605 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.538 4.732 -6.269 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.405 4.978 -4.539 1.00 0.00 H new ATOM 807 N GLU A 50 0.243 0.253 -6.624 1.00 0.00 N ATOM 808 CA GLU A 50 0.425 -0.870 -7.543 1.00 0.00 C ATOM 809 C GLU A 50 0.131 -0.513 -9.009 1.00 0.00 C ATOM 810 O GLU A 50 0.736 -1.091 -9.913 1.00 0.00 O ATOM 811 CB GLU A 50 -0.388 -2.096 -7.080 1.00 0.00 C ATOM 812 CG GLU A 50 -1.855 -1.830 -6.688 1.00 0.00 C ATOM 813 CD GLU A 50 -2.048 -1.608 -5.174 1.00 0.00 C ATOM 814 OE1 GLU A 50 -1.359 -0.745 -4.580 1.00 0.00 O ATOM 815 OE2 GLU A 50 -2.905 -2.291 -4.567 1.00 0.00 O ATOM 0 H GLU A 50 -0.424 0.059 -5.877 1.00 0.00 H new ATOM 0 HA GLU A 50 1.484 -1.128 -7.512 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.376 -2.837 -7.879 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.120 -2.541 -6.225 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.215 -0.953 -7.226 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.468 -2.673 -7.006 1.00 0.00 H new ATOM 822 N ASN A 51 -0.752 0.453 -9.282 1.00 0.00 N ATOM 823 CA ASN A 51 -0.984 0.944 -10.646 1.00 0.00 C ATOM 824 C ASN A 51 0.214 1.742 -11.176 1.00 0.00 C ATOM 825 O ASN A 51 0.532 1.672 -12.367 1.00 0.00 O ATOM 826 CB ASN A 51 -2.241 1.822 -10.681 1.00 0.00 C ATOM 827 CG ASN A 51 -2.451 2.430 -12.067 1.00 0.00 C ATOM 828 OD1 ASN A 51 -2.176 3.606 -12.289 1.00 0.00 O ATOM 829 ND2 ASN A 51 -2.931 1.652 -13.024 1.00 0.00 N ATOM 0 H ASN A 51 -1.322 0.913 -8.572 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.121 0.075 -11.289 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.112 1.226 -10.406 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.153 2.618 -9.941 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.077 2.027 -13.961 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.155 0.677 -12.824 1.00 0.00 H new ATOM 836 N ALA A 52 0.898 2.484 -10.300 1.00 0.00 N ATOM 837 CA ALA A 52 2.045 3.285 -10.680 1.00 0.00 C ATOM 838 C ALA A 52 3.224 2.345 -10.913 1.00 0.00 C ATOM 839 O ALA A 52 3.979 2.556 -11.858 1.00 0.00 O ATOM 840 CB ALA A 52 2.340 4.320 -9.587 1.00 0.00 C ATOM 0 H ALA A 52 0.665 2.540 -9.309 1.00 0.00 H new ATOM 0 HA ALA A 52 1.851 3.837 -11.599 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.203 4.920 -9.877 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.474 4.969 -9.457 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.553 3.808 -8.649 1.00 0.00 H new ATOM 846 N LEU A 53 3.335 1.274 -10.115 1.00 0.00 N ATOM 847 CA LEU A 53 4.298 0.212 -10.350 1.00 0.00 C ATOM 848 C LEU A 53 4.060 -0.426 -11.714 1.00 0.00 C ATOM 849 O LEU A 53 4.997 -0.498 -12.495 1.00 0.00 O ATOM 850 CB LEU A 53 4.254 -0.850 -9.235 1.00 0.00 C ATOM 851 CG LEU A 53 5.074 -0.437 -8.004 1.00 0.00 C ATOM 852 CD1 LEU A 53 4.329 0.503 -7.072 1.00 0.00 C ATOM 853 CD2 LEU A 53 5.501 -1.646 -7.163 1.00 0.00 C ATOM 0 H LEU A 53 2.754 1.128 -9.289 1.00 0.00 H new ATOM 0 HA LEU A 53 5.294 0.655 -10.339 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.219 -1.020 -8.939 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.634 -1.795 -9.622 1.00 0.00 H new ATOM 0 HG LEU A 53 5.941 0.073 -8.423 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.966 0.755 -6.224 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.064 1.414 -7.609 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.422 0.016 -6.713 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.078 -1.306 -6.303 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.616 -2.180 -6.817 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.113 -2.313 -7.770 1.00 0.00 H new ATOM 865 N GLN A 54 2.837 -0.853 -12.046 1.00 0.00 N ATOM 866 CA GLN A 54 2.566 -1.482 -13.345 1.00 0.00 C ATOM 867 C GLN A 54 2.942 -0.541 -14.500 1.00 0.00 C ATOM 868 O GLN A 54 3.638 -0.943 -15.439 1.00 0.00 O ATOM 869 CB GLN A 54 1.093 -1.910 -13.417 1.00 0.00 C ATOM 870 CG GLN A 54 0.834 -3.164 -12.568 1.00 0.00 C ATOM 871 CD GLN A 54 -0.659 -3.377 -12.324 1.00 0.00 C ATOM 872 OE1 GLN A 54 -1.351 -4.046 -13.087 1.00 0.00 O ATOM 873 NE2 GLN A 54 -1.182 -2.801 -11.254 1.00 0.00 N ATOM 0 H GLN A 54 2.022 -0.776 -11.437 1.00 0.00 H new ATOM 0 HA GLN A 54 3.186 -2.373 -13.446 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.458 -1.095 -13.069 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.820 -2.107 -14.454 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.250 -4.037 -13.071 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.350 -3.071 -11.612 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.591 -2.249 -10.632 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.176 -2.909 -11.051 1.00 0.00 H new ATOM 882 N SER A 55 2.554 0.732 -14.397 1.00 0.00 N ATOM 883 CA SER A 55 2.918 1.744 -15.383 1.00 0.00 C ATOM 884 C SER A 55 4.445 1.897 -15.486 1.00 0.00 C ATOM 885 O SER A 55 4.995 2.061 -16.577 1.00 0.00 O ATOM 886 CB SER A 55 2.248 3.072 -15.009 1.00 0.00 C ATOM 887 OG SER A 55 0.849 2.919 -14.813 1.00 0.00 O ATOM 0 H SER A 55 1.982 1.086 -13.631 1.00 0.00 H new ATOM 0 HA SER A 55 2.565 1.431 -16.366 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.702 3.465 -14.099 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.427 3.804 -15.796 1.00 0.00 H new ATOM 0 HG SER A 55 0.684 2.521 -13.933 1.00 0.00 H new ATOM 893 N PHE A 56 5.153 1.807 -14.359 1.00 0.00 N ATOM 894 CA PHE A 56 6.601 1.835 -14.329 1.00 0.00 C ATOM 895 C PHE A 56 7.195 0.560 -14.946 1.00 0.00 C ATOM 896 O PHE A 56 8.224 0.682 -15.603 1.00 0.00 O ATOM 897 CB PHE A 56 7.077 2.123 -12.897 1.00 0.00 C ATOM 898 CG PHE A 56 8.562 2.366 -12.697 1.00 0.00 C ATOM 899 CD1 PHE A 56 9.283 3.228 -13.548 1.00 0.00 C ATOM 900 CD2 PHE A 56 9.212 1.786 -11.589 1.00 0.00 C ATOM 901 CE1 PHE A 56 10.644 3.481 -13.301 1.00 0.00 C ATOM 902 CE2 PHE A 56 10.571 2.034 -11.346 1.00 0.00 C ATOM 903 CZ PHE A 56 11.284 2.886 -12.200 1.00 0.00 C ATOM 0 H PHE A 56 4.726 1.712 -13.438 1.00 0.00 H new ATOM 0 HA PHE A 56 6.973 2.647 -14.954 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.539 2.998 -12.531 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.784 1.282 -12.268 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.791 3.694 -14.389 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.658 1.144 -10.920 1.00 0.00 H new ATOM 0 HE1 PHE A 56 11.199 4.134 -13.959 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.065 1.571 -10.505 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.328 3.086 -12.012 1.00 0.00 H new ATOM 913 N VAL A 57 6.560 -0.622 -14.871 1.00 0.00 N ATOM 914 CA VAL A 57 7.021 -1.778 -15.646 1.00 0.00 C ATOM 915 C VAL A 57 6.904 -1.451 -17.130 1.00 0.00 C ATOM 916 O VAL A 57 7.854 -1.712 -17.864 1.00 0.00 O ATOM 917 CB VAL A 57 6.273 -3.101 -15.352 1.00 0.00 C ATOM 918 CG1 VAL A 57 7.009 -4.284 -16.007 1.00 0.00 C ATOM 919 CG2 VAL A 57 6.160 -3.419 -13.863 1.00 0.00 C ATOM 0 H VAL A 57 5.740 -0.797 -14.291 1.00 0.00 H new ATOM 0 HA VAL A 57 8.054 -1.953 -15.345 1.00 0.00 H new ATOM 0 HB VAL A 57 5.271 -2.963 -15.758 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.474 -5.209 -15.793 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.055 -4.132 -17.085 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.021 -4.350 -15.607 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.625 -4.359 -13.731 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.158 -3.506 -13.433 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.617 -2.619 -13.360 1.00 0.00 H new ATOM 929 N GLU A 58 5.789 -0.859 -17.581 1.00 0.00 N ATOM 930 CA GLU A 58 5.632 -0.504 -18.991 1.00 0.00 C ATOM 931 C GLU A 58 6.755 0.446 -19.431 1.00 0.00 C ATOM 932 O GLU A 58 7.304 0.280 -20.522 1.00 0.00 O ATOM 933 CB GLU A 58 4.254 0.116 -19.280 1.00 0.00 C ATOM 934 CG GLU A 58 3.062 -0.805 -18.988 1.00 0.00 C ATOM 935 CD GLU A 58 3.053 -2.061 -19.871 1.00 0.00 C ATOM 936 OE1 GLU A 58 2.621 -1.983 -21.043 1.00 0.00 O ATOM 937 OE2 GLU A 58 3.477 -3.143 -19.406 1.00 0.00 O ATOM 0 H GLU A 58 4.991 -0.619 -16.993 1.00 0.00 H new ATOM 0 HA GLU A 58 5.699 -1.425 -19.570 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.148 1.024 -18.687 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.217 0.414 -20.328 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.087 -1.103 -17.940 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.135 -0.252 -19.140 1.00 0.00 H new ATOM 944 N ALA A 59 7.137 1.400 -18.573 1.00 0.00 N ATOM 945 CA ALA A 59 8.262 2.285 -18.838 1.00 0.00 C ATOM 946 C ALA A 59 9.595 1.520 -18.878 1.00 0.00 C ATOM 947 O ALA A 59 10.381 1.691 -19.810 1.00 0.00 O ATOM 948 CB ALA A 59 8.309 3.400 -17.789 1.00 0.00 C ATOM 0 H ALA A 59 6.673 1.574 -17.682 1.00 0.00 H new ATOM 0 HA ALA A 59 8.116 2.727 -19.823 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.154 4.058 -17.995 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.384 3.975 -17.827 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.423 2.962 -16.797 1.00 0.00 H new ATOM 954 N VAL A 60 9.866 0.682 -17.877 1.00 0.00 N ATOM 955 CA VAL A 60 11.143 0.000 -17.698 1.00 0.00 C ATOM 956 C VAL A 60 11.363 -1.029 -18.809 1.00 0.00 C ATOM 957 O VAL A 60 12.437 -1.049 -19.411 1.00 0.00 O ATOM 958 CB VAL A 60 11.184 -0.623 -16.282 1.00 0.00 C ATOM 959 CG1 VAL A 60 12.303 -1.654 -16.094 1.00 0.00 C ATOM 960 CG2 VAL A 60 11.388 0.475 -15.224 1.00 0.00 C ATOM 0 H VAL A 60 9.185 0.455 -17.152 1.00 0.00 H new ATOM 0 HA VAL A 60 11.967 0.710 -17.775 1.00 0.00 H new ATOM 0 HB VAL A 60 10.227 -1.131 -16.162 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.269 -2.047 -15.078 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.168 -2.470 -16.803 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.269 -1.179 -16.267 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.415 0.024 -14.232 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.329 0.992 -15.413 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.565 1.188 -15.276 1.00 0.00 H new ATOM 970 N LYS A 61 10.366 -1.868 -19.117 1.00 0.00 N ATOM 971 CA LYS A 61 10.523 -2.958 -20.080 1.00 0.00 C ATOM 972 C LYS A 61 10.831 -2.425 -21.485 1.00 0.00 C ATOM 973 O LYS A 61 11.455 -3.130 -22.278 1.00 0.00 O ATOM 974 CB LYS A 61 9.286 -3.879 -20.060 1.00 0.00 C ATOM 975 CG LYS A 61 8.047 -3.317 -20.779 1.00 0.00 C ATOM 976 CD LYS A 61 6.850 -4.270 -20.657 1.00 0.00 C ATOM 977 CE LYS A 61 5.789 -3.910 -21.706 1.00 0.00 C ATOM 978 NZ LYS A 61 4.518 -4.637 -21.484 1.00 0.00 N ATOM 0 H LYS A 61 9.434 -1.809 -18.707 1.00 0.00 H new ATOM 0 HA LYS A 61 11.383 -3.559 -19.783 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.553 -4.831 -20.518 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.023 -4.087 -19.023 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.787 -2.347 -20.355 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.278 -3.153 -21.832 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.178 -5.300 -20.797 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.422 -4.205 -19.657 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.602 -2.837 -21.678 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.170 -4.142 -22.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.872 -4.457 -22.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.709 -5.657 -21.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.080 -4.308 -20.600 1.00 0.00 H new ATOM 992 N ASN A 62 10.406 -1.192 -21.797 1.00 0.00 N ATOM 993 CA ASN A 62 10.706 -0.535 -23.070 1.00 0.00 C ATOM 994 C ASN A 62 12.205 -0.262 -23.226 1.00 0.00 C ATOM 995 O ASN A 62 12.703 -0.202 -24.351 1.00 0.00 O ATOM 996 CB ASN A 62 9.942 0.797 -23.174 1.00 0.00 C ATOM 997 CG ASN A 62 10.133 1.443 -24.545 1.00 0.00 C ATOM 998 OD1 ASN A 62 9.519 1.034 -25.526 1.00 0.00 O ATOM 999 ND2 ASN A 62 10.968 2.463 -24.641 1.00 0.00 N ATOM 0 H ASN A 62 9.841 -0.622 -21.167 1.00 0.00 H new ATOM 0 HA ASN A 62 10.391 -1.211 -23.865 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.881 0.624 -22.996 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.289 1.479 -22.397 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.110 2.923 -25.540 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.470 2.790 -23.816 1.00 0.00 H new ATOM 1006 N GLY A 63 12.924 -0.070 -22.116 1.00 0.00 N ATOM 1007 CA GLY A 63 14.183 0.660 -22.120 1.00 0.00 C ATOM 1008 C GLY A 63 13.909 2.151 -22.313 1.00 0.00 C ATOM 1009 O GLY A 63 12.751 2.568 -22.439 1.00 0.00 O ATOM 0 H GLY A 63 12.647 -0.416 -21.197 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.714 0.496 -21.182 1.00 0.00 H new ATOM 0 HA3 GLY A 63 14.826 0.292 -22.919 1.00 0.00 H new ATOM 1013 N SER A 64 14.954 2.976 -22.377 1.00 0.00 N ATOM 1014 CA SER A 64 14.774 4.288 -22.984 1.00 0.00 C ATOM 1015 C SER A 64 14.535 4.079 -24.489 1.00 0.00 C ATOM 1016 O SER A 64 14.948 3.052 -25.040 1.00 0.00 O ATOM 1017 CB SER A 64 15.979 5.198 -22.711 1.00 0.00 C ATOM 1018 OG SER A 64 17.111 4.836 -23.477 1.00 0.00 O ATOM 0 H SER A 64 15.892 2.771 -22.033 1.00 0.00 H new ATOM 0 HA SER A 64 13.914 4.794 -22.546 1.00 0.00 H new ATOM 0 HB2 SER A 64 15.709 6.231 -22.932 1.00 0.00 H new ATOM 0 HB3 SER A 64 16.231 5.155 -21.651 1.00 0.00 H new ATOM 0 HG SER A 64 17.266 3.872 -23.395 1.00 0.00 H new ATOM 1024 N PRO A 65 13.968 5.064 -25.197 1.00 0.00 N ATOM 1025 CA PRO A 65 14.029 5.158 -26.652 1.00 0.00 C ATOM 1026 C PRO A 65 15.425 4.945 -27.275 1.00 0.00 C ATOM 1027 O PRO A 65 15.505 4.651 -28.468 1.00 0.00 O ATOM 1028 CB PRO A 65 13.479 6.551 -26.971 1.00 0.00 C ATOM 1029 CG PRO A 65 12.472 6.794 -25.846 1.00 0.00 C ATOM 1030 CD PRO A 65 13.108 6.096 -24.644 1.00 0.00 C ATOM 0 HA PRO A 65 13.451 4.346 -27.094 1.00 0.00 H new ATOM 0 HB2 PRO A 65 14.267 7.304 -26.976 1.00 0.00 H new ATOM 0 HB3 PRO A 65 13.003 6.581 -27.951 1.00 0.00 H new ATOM 0 HG2 PRO A 65 12.325 7.858 -25.661 1.00 0.00 H new ATOM 0 HG3 PRO A 65 11.495 6.374 -26.084 1.00 0.00 H new ATOM 0 HD2 PRO A 65 13.680 6.800 -24.040 1.00 0.00 H new ATOM 0 HD3 PRO A 65 12.347 5.664 -23.994 1.00 0.00 H new ATOM 1038 N PHE A 66 16.517 5.080 -26.507 1.00 0.00 N ATOM 1039 CA PHE A 66 17.888 4.892 -26.982 1.00 0.00 C ATOM 1040 C PHE A 66 18.431 3.494 -26.651 1.00 0.00 C ATOM 1041 O PHE A 66 19.446 3.090 -27.223 1.00 0.00 O ATOM 1042 CB PHE A 66 18.794 5.960 -26.348 1.00 0.00 C ATOM 1043 CG PHE A 66 18.244 7.374 -26.425 1.00 0.00 C ATOM 1044 CD1 PHE A 66 18.283 8.085 -27.640 1.00 0.00 C ATOM 1045 CD2 PHE A 66 17.656 7.965 -25.289 1.00 0.00 C ATOM 1046 CE1 PHE A 66 17.739 9.380 -27.718 1.00 0.00 C ATOM 1047 CE2 PHE A 66 17.110 9.258 -25.369 1.00 0.00 C ATOM 1048 CZ PHE A 66 17.151 9.967 -26.583 1.00 0.00 C ATOM 0 H PHE A 66 16.466 5.328 -25.519 1.00 0.00 H new ATOM 0 HA PHE A 66 17.881 4.991 -28.067 1.00 0.00 H new ATOM 0 HB2 PHE A 66 18.960 5.704 -25.302 1.00 0.00 H new ATOM 0 HB3 PHE A 66 19.766 5.934 -26.841 1.00 0.00 H new ATOM 0 HD1 PHE A 66 18.731 7.635 -28.514 1.00 0.00 H new ATOM 0 HD2 PHE A 66 17.625 7.424 -24.355 1.00 0.00 H new ATOM 0 HE1 PHE A 66 17.773 9.924 -28.650 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.658 9.708 -24.497 1.00 0.00 H new ATOM 0 HZ PHE A 66 16.732 10.960 -26.644 1.00 0.00 H new ATOM 1058 N SER A 67 17.797 2.769 -25.728 1.00 0.00 N ATOM 1059 CA SER A 67 18.217 1.455 -25.259 1.00 0.00 C ATOM 1060 C SER A 67 17.816 0.348 -26.245 1.00 0.00 C ATOM 1061 O SER A 67 17.045 0.571 -27.186 1.00 0.00 O ATOM 1062 CB SER A 67 17.538 1.196 -23.906 1.00 0.00 C ATOM 1063 OG SER A 67 17.761 2.259 -22.992 1.00 0.00 O ATOM 0 H SER A 67 16.945 3.096 -25.272 1.00 0.00 H new ATOM 0 HA SER A 67 19.303 1.441 -25.168 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.466 1.065 -24.056 1.00 0.00 H new ATOM 0 HB3 SER A 67 17.917 0.266 -23.481 1.00 0.00 H new ATOM 0 HG SER A 67 17.762 1.909 -22.077 1.00 0.00 H new ATOM 1069 N LYS A 68 18.266 -0.879 -25.965 1.00 0.00 N ATOM 1070 CA LYS A 68 17.672 -2.116 -26.465 1.00 0.00 C ATOM 1071 C LYS A 68 17.715 -3.102 -25.305 1.00 0.00 C ATOM 1072 O LYS A 68 18.747 -3.728 -25.065 1.00 0.00 O ATOM 1073 CB LYS A 68 18.401 -2.643 -27.718 1.00 0.00 C ATOM 1074 CG LYS A 68 17.699 -3.889 -28.294 1.00 0.00 C ATOM 1075 CD LYS A 68 18.509 -4.593 -29.393 1.00 0.00 C ATOM 1076 CE LYS A 68 18.743 -3.690 -30.610 1.00 0.00 C ATOM 1077 NZ LYS A 68 19.456 -4.394 -31.705 1.00 0.00 N ATOM 0 H LYS A 68 19.077 -1.040 -25.367 1.00 0.00 H new ATOM 0 HA LYS A 68 16.646 -1.955 -26.795 1.00 0.00 H new ATOM 0 HB2 LYS A 68 18.437 -1.861 -28.476 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.432 -2.889 -27.465 1.00 0.00 H new ATOM 0 HG2 LYS A 68 17.507 -4.595 -27.486 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.730 -3.596 -28.698 1.00 0.00 H new ATOM 0 HD2 LYS A 68 19.470 -4.909 -28.987 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.984 -5.495 -29.708 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.784 -3.326 -30.979 1.00 0.00 H new ATOM 0 HE3 LYS A 68 19.320 -2.817 -30.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 19.591 -3.744 -32.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 20.383 -4.720 -31.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.894 -5.213 -32.015 1.00 0.00 H new ATOM 1091 N VAL A 69 16.622 -3.196 -24.551 1.00 0.00 N ATOM 1092 CA VAL A 69 16.433 -4.269 -23.582 1.00 0.00 C ATOM 1093 C VAL A 69 16.418 -5.586 -24.362 1.00 0.00 C ATOM 1094 O VAL A 69 15.768 -5.669 -25.409 1.00 0.00 O ATOM 1095 CB VAL A 69 15.117 -4.054 -22.804 1.00 0.00 C ATOM 1096 CG1 VAL A 69 14.841 -5.184 -21.804 1.00 0.00 C ATOM 1097 CG2 VAL A 69 15.133 -2.722 -22.039 1.00 0.00 C ATOM 0 H VAL A 69 15.847 -2.534 -24.595 1.00 0.00 H new ATOM 0 HA VAL A 69 17.237 -4.285 -22.846 1.00 0.00 H new ATOM 0 HB VAL A 69 14.325 -4.044 -23.553 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.905 -4.987 -21.282 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.767 -6.132 -22.337 1.00 0.00 H new ATOM 0 HG13 VAL A 69 15.655 -5.237 -21.081 1.00 0.00 H new ATOM 0 HG21 VAL A 69 14.193 -2.600 -21.501 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.960 -2.720 -21.329 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.258 -1.899 -22.743 1.00 0.00 H new ATOM 1107 N THR A 70 17.092 -6.611 -23.849 1.00 0.00 N ATOM 1108 CA THR A 70 17.088 -7.946 -24.434 1.00 0.00 C ATOM 1109 C THR A 70 16.472 -8.966 -23.466 1.00 0.00 C ATOM 1110 O THR A 70 15.951 -9.986 -23.923 1.00 0.00 O ATOM 1111 CB THR A 70 18.514 -8.319 -24.877 1.00 0.00 C ATOM 1112 OG1 THR A 70 19.403 -8.221 -23.782 1.00 0.00 O ATOM 1113 CG2 THR A 70 19.019 -7.388 -25.991 1.00 0.00 C ATOM 0 H THR A 70 17.662 -6.536 -23.006 1.00 0.00 H new ATOM 0 HA THR A 70 16.457 -7.957 -25.323 1.00 0.00 H new ATOM 0 HB THR A 70 18.480 -9.341 -25.253 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.308 -8.462 -24.072 1.00 0.00 H new ATOM 0 HG21 THR A 70 20.029 -7.680 -26.279 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.359 -7.463 -26.855 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.028 -6.360 -25.630 1.00 0.00 H new ATOM 1121 N ASP A 71 16.455 -8.692 -22.154 1.00 0.00 N ATOM 1122 CA ASP A 71 15.807 -9.531 -21.146 1.00 0.00 C ATOM 1123 C ASP A 71 15.531 -8.706 -19.886 1.00 0.00 C ATOM 1124 O ASP A 71 16.295 -7.787 -19.579 1.00 0.00 O ATOM 1125 CB ASP A 71 16.722 -10.715 -20.795 1.00 0.00 C ATOM 1126 CG ASP A 71 16.079 -11.653 -19.763 1.00 0.00 C ATOM 1127 OD1 ASP A 71 14.995 -12.211 -20.050 1.00 0.00 O ATOM 1128 OD2 ASP A 71 16.677 -11.872 -18.687 1.00 0.00 O ATOM 0 H ASP A 71 16.901 -7.864 -21.760 1.00 0.00 H new ATOM 0 HA ASP A 71 14.864 -9.907 -21.544 1.00 0.00 H new ATOM 0 HB2 ASP A 71 16.952 -11.276 -21.701 1.00 0.00 H new ATOM 0 HB3 ASP A 71 17.667 -10.339 -20.404 1.00 0.00 H new ATOM 1133 N ILE A 72 14.470 -9.046 -19.147 1.00 0.00 N ATOM 1134 CA ILE A 72 14.153 -8.494 -17.828 1.00 0.00 C ATOM 1135 C ILE A 72 13.839 -9.651 -16.862 1.00 0.00 C ATOM 1136 O ILE A 72 13.447 -10.737 -17.302 1.00 0.00 O ATOM 1137 CB ILE A 72 13.004 -7.444 -17.903 1.00 0.00 C ATOM 1138 CG1 ILE A 72 11.596 -8.081 -18.014 1.00 0.00 C ATOM 1139 CG2 ILE A 72 13.248 -6.457 -19.053 1.00 0.00 C ATOM 1140 CD1 ILE A 72 10.447 -7.063 -18.035 1.00 0.00 C ATOM 0 H ILE A 72 13.787 -9.735 -19.461 1.00 0.00 H new ATOM 0 HA ILE A 72 15.017 -7.952 -17.445 1.00 0.00 H new ATOM 0 HB ILE A 72 13.019 -6.903 -16.957 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.551 -8.682 -18.922 1.00 0.00 H new ATOM 0 HG13 ILE A 72 11.449 -8.761 -17.175 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.435 -5.732 -19.089 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.192 -5.936 -18.891 1.00 0.00 H new ATOM 0 HG23 ILE A 72 13.291 -7.001 -19.997 1.00 0.00 H new ATOM 0 HD11 ILE A 72 9.496 -7.589 -18.114 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.462 -6.478 -17.115 1.00 0.00 H new ATOM 0 HD13 ILE A 72 10.566 -6.398 -18.890 1.00 0.00 H new ATOM 1152 N SER A 73 13.938 -9.404 -15.557 1.00 0.00 N ATOM 1153 CA SER A 73 13.552 -10.331 -14.490 1.00 0.00 C ATOM 1154 C SER A 73 12.888 -9.519 -13.375 1.00 0.00 C ATOM 1155 O SER A 73 13.147 -8.320 -13.272 1.00 0.00 O ATOM 1156 CB SER A 73 14.787 -11.071 -13.950 1.00 0.00 C ATOM 1157 OG SER A 73 15.587 -11.626 -14.984 1.00 0.00 O ATOM 0 H SER A 73 14.302 -8.521 -15.199 1.00 0.00 H new ATOM 0 HA SER A 73 12.858 -11.078 -14.875 1.00 0.00 H new ATOM 0 HB2 SER A 73 15.390 -10.381 -13.360 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.464 -11.867 -13.279 1.00 0.00 H new ATOM 0 HG SER A 73 16.359 -12.084 -14.590 1.00 0.00 H new ATOM 1163 N VAL A 74 12.039 -10.138 -12.548 1.00 0.00 N ATOM 1164 CA VAL A 74 11.159 -9.427 -11.617 1.00 0.00 C ATOM 1165 C VAL A 74 11.091 -10.193 -10.284 1.00 0.00 C ATOM 1166 O VAL A 74 11.112 -11.426 -10.266 1.00 0.00 O ATOM 1167 CB VAL A 74 9.756 -9.248 -12.258 1.00 0.00 C ATOM 1168 CG1 VAL A 74 8.827 -8.388 -11.385 1.00 0.00 C ATOM 1169 CG2 VAL A 74 9.806 -8.614 -13.662 1.00 0.00 C ATOM 0 H VAL A 74 11.943 -11.153 -12.506 1.00 0.00 H new ATOM 0 HA VAL A 74 11.556 -8.434 -11.409 1.00 0.00 H new ATOM 0 HB VAL A 74 9.363 -10.261 -12.340 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.857 -8.290 -11.873 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.698 -8.864 -10.413 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.267 -7.400 -11.250 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.793 -8.517 -14.054 1.00 0.00 H new ATOM 0 HG22 VAL A 74 10.267 -7.628 -13.600 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.393 -9.248 -14.327 1.00 0.00 H new ATOM 1179 N THR A 75 10.967 -9.451 -9.182 1.00 0.00 N ATOM 1180 CA THR A 75 10.613 -9.919 -7.844 1.00 0.00 C ATOM 1181 C THR A 75 9.491 -8.979 -7.376 1.00 0.00 C ATOM 1182 O THR A 75 9.554 -7.786 -7.672 1.00 0.00 O ATOM 1183 CB THR A 75 11.828 -9.812 -6.891 1.00 0.00 C ATOM 1184 OG1 THR A 75 13.079 -9.950 -7.557 1.00 0.00 O ATOM 1185 CG2 THR A 75 11.781 -10.866 -5.785 1.00 0.00 C ATOM 0 H THR A 75 11.121 -8.443 -9.204 1.00 0.00 H new ATOM 0 HA THR A 75 10.303 -10.964 -7.849 1.00 0.00 H new ATOM 0 HB THR A 75 11.754 -8.810 -6.469 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.123 -10.827 -7.992 1.00 0.00 H new ATOM 0 HG21 THR A 75 12.652 -10.755 -5.139 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.873 -10.735 -5.196 1.00 0.00 H new ATOM 0 HG23 THR A 75 11.784 -11.861 -6.230 1.00 0.00 H new ATOM 1193 N GLU A 76 8.484 -9.457 -6.642 1.00 0.00 N ATOM 1194 CA GLU A 76 7.380 -8.626 -6.152 1.00 0.00 C ATOM 1195 C GLU A 76 7.127 -8.981 -4.689 1.00 0.00 C ATOM 1196 O GLU A 76 7.165 -10.162 -4.328 1.00 0.00 O ATOM 1197 CB GLU A 76 6.101 -8.852 -6.977 1.00 0.00 C ATOM 1198 CG GLU A 76 6.240 -8.445 -8.449 1.00 0.00 C ATOM 1199 CD GLU A 76 4.907 -8.597 -9.202 1.00 0.00 C ATOM 1200 OE1 GLU A 76 4.605 -9.706 -9.697 1.00 0.00 O ATOM 1201 OE2 GLU A 76 4.152 -7.605 -9.320 1.00 0.00 O ATOM 0 H GLU A 76 8.410 -10.437 -6.369 1.00 0.00 H new ATOM 0 HA GLU A 76 7.651 -7.575 -6.250 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.826 -9.905 -6.924 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.284 -8.287 -6.528 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.579 -7.411 -8.512 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.002 -9.060 -8.928 1.00 0.00 H new ATOM 1208 N SER A 77 6.856 -7.968 -3.862 1.00 0.00 N ATOM 1209 CA SER A 77 6.734 -8.104 -2.418 1.00 0.00 C ATOM 1210 C SER A 77 5.746 -7.058 -1.904 1.00 0.00 C ATOM 1211 O SER A 77 5.815 -5.889 -2.284 1.00 0.00 O ATOM 1212 CB SER A 77 8.116 -7.877 -1.779 1.00 0.00 C ATOM 1213 OG SER A 77 9.065 -8.849 -2.194 1.00 0.00 O ATOM 0 H SER A 77 6.713 -7.013 -4.190 1.00 0.00 H new ATOM 0 HA SER A 77 6.374 -9.100 -2.159 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.477 -6.883 -2.043 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.021 -7.904 -0.693 1.00 0.00 H new ATOM 0 HG SER A 77 9.928 -8.667 -1.767 1.00 0.00 H new ATOM 1219 N ARG A 78 4.854 -7.434 -0.985 1.00 0.00 N ATOM 1220 CA ARG A 78 4.007 -6.481 -0.263 1.00 0.00 C ATOM 1221 C ARG A 78 4.781 -5.985 0.967 1.00 0.00 C ATOM 1222 O ARG A 78 4.299 -6.089 2.099 1.00 0.00 O ATOM 1223 CB ARG A 78 2.648 -7.132 0.052 1.00 0.00 C ATOM 1224 CG ARG A 78 1.592 -6.101 0.506 1.00 0.00 C ATOM 1225 CD ARG A 78 0.772 -6.591 1.706 1.00 0.00 C ATOM 1226 NE ARG A 78 1.614 -6.698 2.910 1.00 0.00 N ATOM 1227 CZ ARG A 78 1.214 -7.065 4.132 1.00 0.00 C ATOM 1228 NH1 ARG A 78 -0.061 -7.371 4.367 1.00 0.00 N ATOM 1229 NH2 ARG A 78 2.102 -7.123 5.118 1.00 0.00 N ATOM 0 H ARG A 78 4.698 -8.407 -0.720 1.00 0.00 H new ATOM 0 HA ARG A 78 3.773 -5.602 -0.864 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.285 -7.654 -0.833 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.779 -7.881 0.833 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.089 -5.167 0.767 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.920 -5.883 -0.325 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.052 -5.903 1.894 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.331 -7.562 1.478 1.00 0.00 H new ATOM 0 HE ARG A 78 2.602 -6.469 2.800 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.744 -7.327 3.611 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.354 -7.650 5.303 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.079 -6.889 4.939 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.807 -7.402 6.054 1.00 0.00 H new ATOM 1243 N SER A 79 6.001 -5.497 0.744 1.00 0.00 N ATOM 1244 CA SER A 79 6.979 -5.194 1.778 1.00 0.00 C ATOM 1245 C SER A 79 7.643 -3.878 1.387 1.00 0.00 C ATOM 1246 O SER A 79 8.416 -3.824 0.430 1.00 0.00 O ATOM 1247 CB SER A 79 7.993 -6.342 1.899 1.00 0.00 C ATOM 1248 OG SER A 79 7.338 -7.594 2.049 1.00 0.00 O ATOM 0 H SER A 79 6.343 -5.296 -0.196 1.00 0.00 H new ATOM 0 HA SER A 79 6.512 -5.092 2.758 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.628 -6.365 1.013 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.646 -6.165 2.754 1.00 0.00 H new ATOM 0 HG SER A 79 8.007 -8.306 2.122 1.00 0.00 H new ATOM 1254 N LEU A 80 7.254 -2.798 2.063 1.00 0.00 N ATOM 1255 CA LEU A 80 7.680 -1.442 1.732 1.00 0.00 C ATOM 1256 C LEU A 80 9.141 -1.234 2.151 1.00 0.00 C ATOM 1257 O LEU A 80 9.604 -1.800 3.144 1.00 0.00 O ATOM 1258 CB LEU A 80 6.743 -0.424 2.411 1.00 0.00 C ATOM 1259 CG LEU A 80 5.503 -0.067 1.560 1.00 0.00 C ATOM 1260 CD1 LEU A 80 4.594 -1.272 1.267 1.00 0.00 C ATOM 1261 CD2 LEU A 80 4.680 1.011 2.275 1.00 0.00 C ATOM 0 H LEU A 80 6.626 -2.842 2.866 1.00 0.00 H new ATOM 0 HA LEU A 80 7.620 -1.290 0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.413 -0.827 3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.302 0.487 2.625 1.00 0.00 H new ATOM 0 HG LEU A 80 5.880 0.294 0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.744 -0.949 0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.158 -2.029 0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.235 -1.694 2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.806 1.261 1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.356 0.637 3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.291 1.903 2.415 1.00 0.00 H new ATOM 1273 N GLU A 81 9.845 -0.376 1.414 1.00 0.00 N ATOM 1274 CA GLU A 81 11.181 0.114 1.741 1.00 0.00 C ATOM 1275 C GLU A 81 11.107 1.361 2.637 1.00 0.00 C ATOM 1276 O GLU A 81 12.110 1.731 3.253 1.00 0.00 O ATOM 1277 CB GLU A 81 11.955 0.471 0.459 1.00 0.00 C ATOM 1278 CG GLU A 81 12.066 -0.646 -0.578 1.00 0.00 C ATOM 1279 CD GLU A 81 12.680 -1.918 0.026 1.00 0.00 C ATOM 1280 OE1 GLU A 81 13.903 -1.946 0.295 1.00 0.00 O ATOM 1281 OE2 GLU A 81 11.935 -2.899 0.239 1.00 0.00 O ATOM 0 H GLU A 81 9.486 0.010 0.541 1.00 0.00 H new ATOM 0 HA GLU A 81 11.699 -0.683 2.275 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.472 1.329 -0.008 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.961 0.784 0.739 1.00 0.00 H new ATOM 0 HG2 GLU A 81 11.077 -0.872 -0.977 1.00 0.00 H new ATOM 0 HG3 GLU A 81 12.678 -0.308 -1.414 1.00 0.00 H new ATOM 1288 N GLY A 82 9.944 2.018 2.714 1.00 0.00 N ATOM 1289 CA GLY A 82 9.712 3.201 3.534 1.00 0.00 C ATOM 1290 C GLY A 82 10.619 4.381 3.162 1.00 0.00 C ATOM 1291 O GLY A 82 10.922 5.209 4.024 1.00 0.00 O ATOM 0 H GLY A 82 9.118 1.729 2.190 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.670 3.506 3.434 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.870 2.946 4.582 1.00 0.00 H new ATOM 1295 N HIS A 83 11.091 4.443 1.915 1.00 0.00 N ATOM 1296 CA HIS A 83 11.883 5.549 1.399 1.00 0.00 C ATOM 1297 C HIS A 83 10.979 6.769 1.169 1.00 0.00 C ATOM 1298 O HIS A 83 9.747 6.665 1.177 1.00 0.00 O ATOM 1299 CB HIS A 83 12.586 5.107 0.102 1.00 0.00 C ATOM 1300 CG HIS A 83 13.760 4.177 0.306 1.00 0.00 C ATOM 1301 ND1 HIS A 83 13.933 3.253 1.318 1.00 0.00 N ATOM 1302 CD2 HIS A 83 14.872 4.110 -0.491 1.00 0.00 C ATOM 1303 CE1 HIS A 83 15.118 2.649 1.129 1.00 0.00 C ATOM 1304 NE2 HIS A 83 15.734 3.140 0.037 1.00 0.00 N ATOM 0 H HIS A 83 10.927 3.709 1.226 1.00 0.00 H new ATOM 0 HA HIS A 83 12.649 5.835 2.120 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.857 4.614 -0.541 1.00 0.00 H new ATOM 0 HB3 HIS A 83 12.931 5.994 -0.429 1.00 0.00 H new ATOM 0 HD1 HIS A 83 13.277 3.063 2.075 1.00 0.00 H new ATOM 0 HD2 HIS A 83 15.053 4.703 -1.375 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.521 1.876 1.766 1.00 0.00 H new ATOM 1312 N HIS A 84 11.589 7.938 0.951 1.00 0.00 N ATOM 1313 CA HIS A 84 10.892 9.210 0.720 1.00 0.00 C ATOM 1314 C HIS A 84 11.403 9.901 -0.558 1.00 0.00 C ATOM 1315 O HIS A 84 11.100 11.073 -0.800 1.00 0.00 O ATOM 1316 CB HIS A 84 11.030 10.114 1.963 1.00 0.00 C ATOM 1317 CG HIS A 84 10.412 9.585 3.242 1.00 0.00 C ATOM 1318 ND1 HIS A 84 9.552 8.517 3.379 1.00 0.00 N ATOM 1319 CD2 HIS A 84 10.586 10.117 4.492 1.00 0.00 C ATOM 1320 CE1 HIS A 84 9.232 8.397 4.678 1.00 0.00 C ATOM 1321 NE2 HIS A 84 9.836 9.359 5.402 1.00 0.00 N ATOM 0 H HIS A 84 12.605 8.030 0.929 1.00 0.00 H new ATOM 0 HA HIS A 84 9.832 9.011 0.563 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.090 10.292 2.142 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.578 11.080 1.737 1.00 0.00 H new ATOM 0 HD1 HIS A 84 9.216 7.920 2.623 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.197 10.974 4.735 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.582 7.636 5.085 1.00 0.00 H new ATOM 1329 N ARG A 85 12.178 9.191 -1.388 1.00 0.00 N ATOM 1330 CA ARG A 85 12.688 9.648 -2.678 1.00 0.00 C ATOM 1331 C ARG A 85 12.855 8.426 -3.576 1.00 0.00 C ATOM 1332 O ARG A 85 12.909 7.301 -3.068 1.00 0.00 O ATOM 1333 CB ARG A 85 14.037 10.378 -2.489 1.00 0.00 C ATOM 1334 CG ARG A 85 15.177 9.438 -2.051 1.00 0.00 C ATOM 1335 CD ARG A 85 16.524 10.155 -1.954 1.00 0.00 C ATOM 1336 NE ARG A 85 17.609 9.162 -1.903 1.00 0.00 N ATOM 1337 CZ ARG A 85 18.824 9.312 -1.367 1.00 0.00 C ATOM 1338 NH1 ARG A 85 19.190 10.468 -0.818 1.00 0.00 N ATOM 1339 NH2 ARG A 85 19.666 8.285 -1.389 1.00 0.00 N ATOM 0 H ARG A 85 12.477 8.242 -1.165 1.00 0.00 H new ATOM 0 HA ARG A 85 11.993 10.352 -3.136 1.00 0.00 H new ATOM 0 HB2 ARG A 85 14.314 10.864 -3.424 1.00 0.00 H new ATOM 0 HB3 ARG A 85 13.916 11.165 -1.744 1.00 0.00 H new ATOM 0 HG2 ARG A 85 14.931 9.001 -1.083 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.258 8.615 -2.761 1.00 0.00 H new ATOM 0 HD2 ARG A 85 16.660 10.813 -2.812 1.00 0.00 H new ATOM 0 HD3 ARG A 85 16.550 10.783 -1.063 1.00 0.00 H new ATOM 0 HE ARG A 85 17.411 8.255 -2.325 1.00 0.00 H new ATOM 0 HH11 ARG A 85 18.540 11.254 -0.803 1.00 0.00 H new ATOM 0 HH12 ARG A 85 20.121 10.568 -0.413 1.00 0.00 H new ATOM 0 HH21 ARG A 85 19.381 7.401 -1.810 1.00 0.00 H new ATOM 0 HH22 ARG A 85 20.598 8.381 -0.985 1.00 0.00 H new ATOM 1353 N PHE A 86 13.029 8.637 -4.878 1.00 0.00 N ATOM 1354 CA PHE A 86 13.719 7.665 -5.715 1.00 0.00 C ATOM 1355 C PHE A 86 15.205 8.058 -5.751 1.00 0.00 C ATOM 1356 O PHE A 86 15.531 9.234 -5.553 1.00 0.00 O ATOM 1357 CB PHE A 86 13.071 7.606 -7.108 1.00 0.00 C ATOM 1358 CG PHE A 86 13.225 6.251 -7.771 1.00 0.00 C ATOM 1359 CD1 PHE A 86 12.573 5.128 -7.236 1.00 0.00 C ATOM 1360 CD2 PHE A 86 14.005 6.104 -8.927 1.00 0.00 C ATOM 1361 CE1 PHE A 86 12.752 3.860 -7.812 1.00 0.00 C ATOM 1362 CE2 PHE A 86 14.178 4.840 -9.517 1.00 0.00 C ATOM 1363 CZ PHE A 86 13.559 3.714 -8.952 1.00 0.00 C ATOM 0 H PHE A 86 12.703 9.468 -5.372 1.00 0.00 H new ATOM 0 HA PHE A 86 13.638 6.656 -5.310 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.011 7.844 -7.021 1.00 0.00 H new ATOM 0 HB3 PHE A 86 13.518 8.370 -7.744 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.930 5.240 -6.376 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.477 6.970 -9.368 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.269 2.997 -7.378 1.00 0.00 H new ATOM 0 HE2 PHE A 86 14.786 4.735 -10.403 1.00 0.00 H new ATOM 0 HZ PHE A 86 13.703 2.739 -9.393 1.00 0.00 H new ATOM 1373 N SER A 87 16.102 7.094 -5.981 1.00 0.00 N ATOM 1374 CA SER A 87 17.549 7.295 -5.869 1.00 0.00 C ATOM 1375 C SER A 87 18.271 6.708 -7.085 1.00 0.00 C ATOM 1376 O SER A 87 17.811 5.713 -7.648 1.00 0.00 O ATOM 1377 CB SER A 87 18.061 6.610 -4.589 1.00 0.00 C ATOM 1378 OG SER A 87 17.179 6.783 -3.489 1.00 0.00 O ATOM 0 H SER A 87 15.842 6.146 -6.252 1.00 0.00 H new ATOM 0 HA SER A 87 17.752 8.365 -5.826 1.00 0.00 H new ATOM 0 HB2 SER A 87 18.195 5.545 -4.779 1.00 0.00 H new ATOM 0 HB3 SER A 87 19.041 7.013 -4.332 1.00 0.00 H new ATOM 0 HG SER A 87 16.395 6.206 -3.604 1.00 0.00 H new ATOM 1384 N ILE A 88 19.409 7.281 -7.480 1.00 0.00 N ATOM 1385 CA ILE A 88 20.412 6.569 -8.276 1.00 0.00 C ATOM 1386 C ILE A 88 21.476 6.173 -7.249 1.00 0.00 C ATOM 1387 O ILE A 88 21.869 7.006 -6.425 1.00 0.00 O ATOM 1388 CB ILE A 88 21.001 7.428 -9.430 1.00 0.00 C ATOM 1389 CG1 ILE A 88 19.907 8.084 -10.302 1.00 0.00 C ATOM 1390 CG2 ILE A 88 21.884 6.542 -10.330 1.00 0.00 C ATOM 1391 CD1 ILE A 88 20.406 8.948 -11.471 1.00 0.00 C ATOM 0 H ILE A 88 19.661 8.244 -7.260 1.00 0.00 H new ATOM 0 HA ILE A 88 19.984 5.711 -8.795 1.00 0.00 H new ATOM 0 HB ILE A 88 21.584 8.226 -8.969 1.00 0.00 H new ATOM 0 HG12 ILE A 88 19.270 7.296 -10.704 1.00 0.00 H new ATOM 0 HG13 ILE A 88 19.281 8.703 -9.660 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.297 7.144 -11.140 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.697 6.120 -9.740 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.283 5.735 -10.748 1.00 0.00 H new ATOM 0 HD11 ILE A 88 19.552 9.356 -12.012 1.00 0.00 H new ATOM 0 HD12 ILE A 88 21.016 9.765 -11.085 1.00 0.00 H new ATOM 0 HD13 ILE A 88 21.004 8.336 -12.146 1.00 0.00 H new ATOM 1403 N VAL A 89 21.913 4.915 -7.255 1.00 0.00 N ATOM 1404 CA VAL A 89 22.865 4.396 -6.277 1.00 0.00 C ATOM 1405 C VAL A 89 23.842 3.443 -6.985 1.00 0.00 C ATOM 1406 O VAL A 89 23.719 3.221 -8.192 1.00 0.00 O ATOM 1407 CB VAL A 89 22.062 3.822 -5.077 1.00 0.00 C ATOM 1408 CG1 VAL A 89 21.477 2.426 -5.296 1.00 0.00 C ATOM 1409 CG2 VAL A 89 22.863 3.861 -3.770 1.00 0.00 C ATOM 0 H VAL A 89 21.614 4.224 -7.943 1.00 0.00 H new ATOM 0 HA VAL A 89 23.509 5.162 -5.845 1.00 0.00 H new ATOM 0 HB VAL A 89 21.209 4.495 -4.995 1.00 0.00 H new ATOM 0 HG11 VAL A 89 20.936 2.114 -4.403 1.00 0.00 H new ATOM 0 HG12 VAL A 89 20.794 2.447 -6.145 1.00 0.00 H new ATOM 0 HG13 VAL A 89 22.284 1.721 -5.496 1.00 0.00 H new ATOM 0 HG21 VAL A 89 22.260 3.449 -2.961 1.00 0.00 H new ATOM 0 HG22 VAL A 89 23.771 3.269 -3.882 1.00 0.00 H new ATOM 0 HG23 VAL A 89 23.128 4.892 -3.536 1.00 0.00 H new