USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 855 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 59 TYR OH : rot 110:sc= 0.0451 USER MOD Set 1.2: A 63 LYS NZ :NH3+ -155:sc= 0.407 (180deg=-0.257) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0699 (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 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= -0.922 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc=-0.00287 X(o=-0.0029,f=-0.0029) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 112:sc= 1.22 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0631 K(o=-0.063,f=-1.4) USER MOD Single : A 44 LYS NZ :NH3+ 154:sc= -0.252 (180deg=-1.05) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -53:sc= -3.11 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.262 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 CYS SG : rot -18:sc= -3.58! USER MOD Single : A 71 HIS : no HE2:sc= -4.54! C(o=-4.5!,f=-4.8!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -2.04! K(o=-2!,f=0) USER MOD Single : A 80 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.23) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.0699 X(o=-0.07,f=-0.074) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 23:sc= 0.427 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.041 25.410 3.348 1.00 0.00 N ATOM 2 CA GLY A 1 -20.629 25.148 2.048 1.00 0.00 C ATOM 3 C GLY A 1 -20.302 23.760 1.533 1.00 0.00 C ATOM 4 O GLY A 1 -19.430 23.080 2.073 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.796 25.567 4.045 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.465 24.594 3.639 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.439 26.256 3.293 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.711 25.263 2.112 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.271 25.891 1.335 1.00 0.00 H new ATOM 8 N SER A 2 -21.005 23.337 0.487 1.00 0.00 N ATOM 9 CA SER A 2 -20.788 22.019 -0.097 1.00 0.00 C ATOM 10 C SER A 2 -21.624 21.841 -1.361 1.00 0.00 C ATOM 11 O SER A 2 -22.581 22.578 -1.594 1.00 0.00 O ATOM 12 CB SER A 2 -21.135 20.926 0.916 1.00 0.00 C ATOM 13 OG SER A 2 -22.537 20.735 1.000 1.00 0.00 O ATOM 0 H SER A 2 -21.730 23.888 0.027 1.00 0.00 H new ATOM 0 HA SER A 2 -19.735 21.936 -0.364 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.654 19.992 0.627 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.742 21.196 1.896 1.00 0.00 H new ATOM 0 HG SER A 2 -22.733 20.030 1.652 1.00 0.00 H new ATOM 19 N SER A 3 -21.254 20.856 -2.174 1.00 0.00 N ATOM 20 CA SER A 3 -21.966 20.582 -3.416 1.00 0.00 C ATOM 21 C SER A 3 -21.477 19.283 -4.048 1.00 0.00 C ATOM 22 O SER A 3 -20.562 18.637 -3.537 1.00 0.00 O ATOM 23 CB SER A 3 -21.784 21.741 -4.399 1.00 0.00 C ATOM 24 OG SER A 3 -20.411 22.034 -4.593 1.00 0.00 O ATOM 0 H SER A 3 -20.465 20.235 -1.994 1.00 0.00 H new ATOM 0 HA SER A 3 -23.025 20.475 -3.183 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.244 21.487 -5.354 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.298 22.625 -4.023 1.00 0.00 H new ATOM 0 HG SER A 3 -20.321 22.777 -5.226 1.00 0.00 H new ATOM 30 N GLY A 4 -22.094 18.905 -5.163 1.00 0.00 N ATOM 31 CA GLY A 4 -21.709 17.684 -5.847 1.00 0.00 C ATOM 32 C GLY A 4 -22.170 17.658 -7.290 1.00 0.00 C ATOM 33 O GLY A 4 -21.366 17.811 -8.209 1.00 0.00 O ATOM 0 H GLY A 4 -22.854 19.422 -5.605 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.625 17.579 -5.813 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.129 16.828 -5.319 1.00 0.00 H new ATOM 37 N SER A 5 -23.470 17.461 -7.491 1.00 0.00 N ATOM 38 CA SER A 5 -24.036 17.410 -8.834 1.00 0.00 C ATOM 39 C SER A 5 -23.194 16.522 -9.745 1.00 0.00 C ATOM 40 O SER A 5 -22.761 16.947 -10.816 1.00 0.00 O ATOM 41 CB SER A 5 -24.135 18.818 -9.423 1.00 0.00 C ATOM 42 OG SER A 5 -25.349 19.445 -9.047 1.00 0.00 O ATOM 0 H SER A 5 -24.150 17.334 -6.741 1.00 0.00 H new ATOM 0 HA SER A 5 -25.036 16.983 -8.764 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.291 19.418 -9.082 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.070 18.766 -10.510 1.00 0.00 H new ATOM 0 HG SER A 5 -25.387 20.344 -9.435 1.00 0.00 H new ATOM 48 N SER A 6 -22.966 15.287 -9.311 1.00 0.00 N ATOM 49 CA SER A 6 -22.173 14.339 -10.085 1.00 0.00 C ATOM 50 C SER A 6 -23.015 13.137 -10.500 1.00 0.00 C ATOM 51 O SER A 6 -23.883 12.686 -9.754 1.00 0.00 O ATOM 52 CB SER A 6 -20.963 13.873 -9.274 1.00 0.00 C ATOM 53 OG SER A 6 -20.184 12.943 -10.008 1.00 0.00 O ATOM 0 H SER A 6 -23.319 14.919 -8.428 1.00 0.00 H new ATOM 0 HA SER A 6 -21.825 14.845 -10.986 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.350 14.733 -9.004 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.299 13.416 -8.343 1.00 0.00 H new ATOM 0 HG SER A 6 -19.416 12.662 -9.468 1.00 0.00 H new ATOM 59 N GLY A 7 -22.752 12.622 -11.697 1.00 0.00 N ATOM 60 CA GLY A 7 -23.493 11.477 -12.192 1.00 0.00 C ATOM 61 C GLY A 7 -22.862 10.867 -13.428 1.00 0.00 C ATOM 62 O GLY A 7 -22.285 11.577 -14.253 1.00 0.00 O ATOM 0 H GLY A 7 -22.038 12.978 -12.333 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.554 10.722 -11.409 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -24.514 11.781 -12.422 1.00 0.00 H new ATOM 66 N ILE A 8 -22.970 9.549 -13.557 1.00 0.00 N ATOM 67 CA ILE A 8 -22.405 8.845 -14.701 1.00 0.00 C ATOM 68 C ILE A 8 -23.442 7.939 -15.357 1.00 0.00 C ATOM 69 O ILE A 8 -24.028 7.076 -14.704 1.00 0.00 O ATOM 70 CB ILE A 8 -21.184 7.999 -14.295 1.00 0.00 C ATOM 71 CG1 ILE A 8 -20.107 8.887 -13.668 1.00 0.00 C ATOM 72 CG2 ILE A 8 -20.630 7.255 -15.500 1.00 0.00 C ATOM 73 CD1 ILE A 8 -18.976 8.108 -13.033 1.00 0.00 C ATOM 0 H ILE A 8 -23.444 8.947 -12.883 1.00 0.00 H new ATOM 0 HA ILE A 8 -22.088 9.606 -15.414 1.00 0.00 H new ATOM 0 HB ILE A 8 -21.500 7.265 -13.554 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -19.698 9.545 -14.435 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -20.567 9.524 -12.913 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -19.767 6.662 -15.196 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -21.398 6.597 -15.906 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -20.327 7.972 -16.263 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -18.250 8.801 -12.609 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -19.372 7.470 -12.243 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -18.490 7.491 -13.789 1.00 0.00 H new ATOM 85 N ASP A 9 -23.662 8.141 -16.651 1.00 0.00 N ATOM 86 CA ASP A 9 -24.626 7.340 -17.397 1.00 0.00 C ATOM 87 C ASP A 9 -23.944 6.149 -18.062 1.00 0.00 C ATOM 88 O ASP A 9 -24.242 4.996 -17.749 1.00 0.00 O ATOM 89 CB ASP A 9 -25.325 8.198 -18.452 1.00 0.00 C ATOM 90 CG ASP A 9 -25.571 9.616 -17.976 1.00 0.00 C ATOM 91 OD1 ASP A 9 -26.481 9.813 -17.143 1.00 0.00 O ATOM 92 OD2 ASP A 9 -24.854 10.528 -18.435 1.00 0.00 O ATOM 0 H ASP A 9 -23.186 8.853 -17.206 1.00 0.00 H new ATOM 0 HA ASP A 9 -25.370 6.964 -16.695 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -24.718 8.222 -19.357 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -26.276 7.737 -18.719 1.00 0.00 H new ATOM 97 N SER A 10 -23.028 6.435 -18.981 1.00 0.00 N ATOM 98 CA SER A 10 -22.307 5.387 -19.694 1.00 0.00 C ATOM 99 C SER A 10 -21.185 5.979 -20.541 1.00 0.00 C ATOM 100 O SER A 10 -21.040 7.197 -20.636 1.00 0.00 O ATOM 101 CB SER A 10 -23.267 4.592 -20.582 1.00 0.00 C ATOM 102 OG SER A 10 -23.752 5.388 -21.649 1.00 0.00 O ATOM 0 H SER A 10 -22.767 7.384 -19.250 1.00 0.00 H new ATOM 0 HA SER A 10 -21.866 4.717 -18.956 1.00 0.00 H new ATOM 0 HB2 SER A 10 -22.757 3.715 -20.981 1.00 0.00 H new ATOM 0 HB3 SER A 10 -24.104 4.230 -19.985 1.00 0.00 H new ATOM 0 HG SER A 10 -24.362 4.857 -22.203 1.00 0.00 H new ATOM 108 N GLY A 11 -20.392 5.106 -21.156 1.00 0.00 N ATOM 109 CA GLY A 11 -19.293 5.560 -21.987 1.00 0.00 C ATOM 110 C GLY A 11 -18.253 4.481 -22.214 1.00 0.00 C ATOM 111 O GLY A 11 -17.498 4.136 -21.304 1.00 0.00 O ATOM 0 H GLY A 11 -20.492 4.093 -21.093 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -19.683 5.893 -22.949 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -18.820 6.423 -21.519 1.00 0.00 H new ATOM 115 N LEU A 12 -18.213 3.946 -23.429 1.00 0.00 N ATOM 116 CA LEU A 12 -17.259 2.897 -23.772 1.00 0.00 C ATOM 117 C LEU A 12 -16.604 3.177 -25.121 1.00 0.00 C ATOM 118 O LEU A 12 -17.281 3.258 -26.146 1.00 0.00 O ATOM 119 CB LEU A 12 -17.956 1.536 -23.804 1.00 0.00 C ATOM 120 CG LEU A 12 -18.530 1.045 -22.474 1.00 0.00 C ATOM 121 CD1 LEU A 12 -19.925 1.610 -22.254 1.00 0.00 C ATOM 122 CD2 LEU A 12 -18.557 -0.476 -22.434 1.00 0.00 C ATOM 0 H LEU A 12 -18.830 4.221 -24.193 1.00 0.00 H new ATOM 0 HA LEU A 12 -16.483 2.882 -23.007 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -18.766 1.582 -24.532 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -17.244 0.794 -24.166 1.00 0.00 H new ATOM 0 HG LEU A 12 -17.885 1.399 -21.669 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -20.318 1.250 -21.303 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -19.878 2.699 -22.238 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -20.580 1.287 -23.063 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -18.968 -0.808 -21.481 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -19.179 -0.850 -23.247 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -17.543 -0.861 -22.545 1.00 0.00 H new ATOM 134 N SER A 13 -15.283 3.322 -25.113 1.00 0.00 N ATOM 135 CA SER A 13 -14.536 3.595 -26.336 1.00 0.00 C ATOM 136 C SER A 13 -13.034 3.529 -26.081 1.00 0.00 C ATOM 137 O SER A 13 -12.537 3.942 -25.032 1.00 0.00 O ATOM 138 CB SER A 13 -14.911 4.970 -26.891 1.00 0.00 C ATOM 139 OG SER A 13 -14.629 5.054 -28.277 1.00 0.00 O ATOM 0 H SER A 13 -14.708 3.255 -24.273 1.00 0.00 H new ATOM 0 HA SER A 13 -14.796 2.832 -27.070 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.971 5.158 -26.720 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.360 5.744 -26.357 1.00 0.00 H new ATOM 0 HG SER A 13 -14.879 5.942 -28.608 1.00 0.00 H new ATOM 145 N PRO A 14 -12.291 2.996 -27.062 1.00 0.00 N ATOM 146 CA PRO A 14 -10.834 2.863 -26.969 1.00 0.00 C ATOM 147 C PRO A 14 -10.124 4.211 -27.029 1.00 0.00 C ATOM 148 O PRO A 14 -10.616 5.156 -27.646 1.00 0.00 O ATOM 149 CB PRO A 14 -10.476 2.015 -28.192 1.00 0.00 C ATOM 150 CG PRO A 14 -11.577 2.268 -29.164 1.00 0.00 C ATOM 151 CD PRO A 14 -12.815 2.484 -28.339 1.00 0.00 C ATOM 0 HA PRO A 14 -10.525 2.421 -26.022 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -9.509 2.304 -28.605 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.410 0.958 -27.935 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.361 3.141 -29.780 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -11.702 1.423 -29.841 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.492 3.197 -28.810 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -13.373 1.558 -28.202 1.00 0.00 H new ATOM 159 N SER A 15 -8.964 4.293 -26.385 1.00 0.00 N ATOM 160 CA SER A 15 -8.187 5.527 -26.363 1.00 0.00 C ATOM 161 C SER A 15 -6.848 5.314 -25.664 1.00 0.00 C ATOM 162 O SER A 15 -6.605 4.264 -25.070 1.00 0.00 O ATOM 163 CB SER A 15 -8.972 6.636 -25.659 1.00 0.00 C ATOM 164 OG SER A 15 -8.632 7.910 -26.178 1.00 0.00 O ATOM 0 H SER A 15 -8.542 3.520 -25.872 1.00 0.00 H new ATOM 0 HA SER A 15 -7.995 5.825 -27.394 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.041 6.463 -25.782 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.766 6.609 -24.589 1.00 0.00 H new ATOM 0 HG SER A 15 -9.148 8.601 -25.713 1.00 0.00 H new ATOM 170 N VAL A 16 -5.981 6.319 -25.739 1.00 0.00 N ATOM 171 CA VAL A 16 -4.667 6.244 -25.114 1.00 0.00 C ATOM 172 C VAL A 16 -4.328 7.541 -24.388 1.00 0.00 C ATOM 173 O VAL A 16 -4.540 8.634 -24.915 1.00 0.00 O ATOM 174 CB VAL A 16 -3.568 5.947 -26.151 1.00 0.00 C ATOM 175 CG1 VAL A 16 -3.513 7.046 -27.201 1.00 0.00 C ATOM 176 CG2 VAL A 16 -2.219 5.786 -25.466 1.00 0.00 C ATOM 0 H VAL A 16 -6.166 7.195 -26.227 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.706 5.427 -24.393 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.810 5.010 -26.652 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.731 6.819 -27.925 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.473 7.109 -27.712 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.295 7.999 -26.719 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.454 5.577 -26.214 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.967 6.705 -24.937 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.268 4.961 -24.756 1.00 0.00 H new ATOM 186 N LEU A 17 -3.801 7.414 -23.176 1.00 0.00 N ATOM 187 CA LEU A 17 -3.431 8.577 -22.376 1.00 0.00 C ATOM 188 C LEU A 17 -2.710 8.154 -21.100 1.00 0.00 C ATOM 189 O LEU A 17 -2.589 6.965 -20.810 1.00 0.00 O ATOM 190 CB LEU A 17 -4.675 9.395 -22.025 1.00 0.00 C ATOM 191 CG LEU A 17 -5.824 8.624 -21.374 1.00 0.00 C ATOM 192 CD1 LEU A 17 -5.640 8.565 -19.866 1.00 0.00 C ATOM 193 CD2 LEU A 17 -7.161 9.261 -21.726 1.00 0.00 C ATOM 0 H LEU A 17 -3.620 6.517 -22.725 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.753 9.193 -22.967 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.378 10.200 -21.353 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.048 9.861 -22.937 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.817 7.605 -21.760 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.467 8.013 -19.420 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.701 8.063 -19.633 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.620 9.577 -19.462 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.967 8.699 -21.254 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.179 10.291 -21.369 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.296 9.250 -22.808 1.00 0.00 H new ATOM 205 N MET A 18 -2.236 9.137 -20.341 1.00 0.00 N ATOM 206 CA MET A 18 -1.530 8.866 -19.094 1.00 0.00 C ATOM 207 C MET A 18 -1.296 10.154 -18.311 1.00 0.00 C ATOM 208 O MET A 18 -1.196 11.234 -18.892 1.00 0.00 O ATOM 209 CB MET A 18 -0.193 8.178 -19.379 1.00 0.00 C ATOM 210 CG MET A 18 0.782 9.044 -20.160 1.00 0.00 C ATOM 211 SD MET A 18 1.621 10.256 -19.121 1.00 0.00 S ATOM 212 CE MET A 18 2.362 11.312 -20.364 1.00 0.00 C ATOM 0 H MET A 18 -2.328 10.127 -20.567 1.00 0.00 H new ATOM 0 HA MET A 18 -2.150 8.203 -18.491 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.267 7.890 -18.434 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.378 7.260 -19.937 1.00 0.00 H new ATOM 0 HG2 MET A 18 1.525 8.406 -20.640 1.00 0.00 H new ATOM 0 HG3 MET A 18 0.246 9.562 -20.955 1.00 0.00 H new ATOM 0 HE1 MET A 18 2.918 12.113 -19.877 1.00 0.00 H new ATOM 0 HE2 MET A 18 3.040 10.725 -20.983 1.00 0.00 H new ATOM 0 HE3 MET A 18 1.580 11.742 -20.990 1.00 0.00 H new ATOM 222 N ALA A 19 -1.209 10.031 -16.991 1.00 0.00 N ATOM 223 CA ALA A 19 -0.985 11.185 -16.129 1.00 0.00 C ATOM 224 C ALA A 19 -0.683 10.751 -14.699 1.00 0.00 C ATOM 225 O ALA A 19 -0.804 9.575 -14.358 1.00 0.00 O ATOM 226 CB ALA A 19 -2.194 12.108 -16.158 1.00 0.00 C ATOM 0 H ALA A 19 -1.290 9.144 -16.495 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.118 11.727 -16.507 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.013 12.965 -15.510 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.364 12.453 -17.178 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.073 11.567 -15.807 1.00 0.00 H new ATOM 232 N SER A 20 -0.287 11.709 -13.866 1.00 0.00 N ATOM 233 CA SER A 20 0.038 11.425 -12.473 1.00 0.00 C ATOM 234 C SER A 20 -0.157 12.666 -11.606 1.00 0.00 C ATOM 235 O SER A 20 0.235 13.768 -11.985 1.00 0.00 O ATOM 236 CB SER A 20 1.479 10.928 -12.355 1.00 0.00 C ATOM 237 OG SER A 20 1.920 10.956 -11.008 1.00 0.00 O ATOM 0 H SER A 20 -0.184 12.688 -14.132 1.00 0.00 H new ATOM 0 HA SER A 20 -0.637 10.646 -12.119 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.549 9.912 -12.743 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.132 11.549 -12.968 1.00 0.00 H new ATOM 0 HG SER A 20 2.844 10.632 -10.959 1.00 0.00 H new ATOM 243 N ASN A 21 -0.767 12.475 -10.441 1.00 0.00 N ATOM 244 CA ASN A 21 -1.015 13.578 -9.519 1.00 0.00 C ATOM 245 C ASN A 21 -0.830 13.130 -8.073 1.00 0.00 C ATOM 246 O ASN A 21 -1.639 12.372 -7.538 1.00 0.00 O ATOM 247 CB ASN A 21 -2.429 14.128 -9.718 1.00 0.00 C ATOM 248 CG ASN A 21 -2.551 14.971 -10.972 1.00 0.00 C ATOM 249 OD1 ASN A 21 -1.934 16.030 -11.084 1.00 0.00 O ATOM 250 ND2 ASN A 21 -3.350 14.503 -11.924 1.00 0.00 N ATOM 0 H ASN A 21 -1.099 11.568 -10.113 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.293 14.366 -9.731 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.134 13.299 -9.771 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.708 14.728 -8.852 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.471 15.027 -12.791 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.842 13.620 -11.788 1.00 0.00 H new ATOM 257 N SER A 22 0.241 13.604 -7.444 1.00 0.00 N ATOM 258 CA SER A 22 0.535 13.251 -6.060 1.00 0.00 C ATOM 259 C SER A 22 0.366 14.458 -5.143 1.00 0.00 C ATOM 260 O SER A 22 1.105 15.436 -5.244 1.00 0.00 O ATOM 261 CB SER A 22 1.958 12.702 -5.943 1.00 0.00 C ATOM 262 OG SER A 22 2.104 11.502 -6.683 1.00 0.00 O ATOM 0 H SER A 22 0.920 14.234 -7.871 1.00 0.00 H new ATOM 0 HA SER A 22 -0.171 12.480 -5.750 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.669 13.445 -6.305 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.195 12.518 -4.895 1.00 0.00 H new ATOM 0 HG SER A 22 3.022 11.172 -6.593 1.00 0.00 H new ATOM 268 N GLY A 23 -0.614 14.381 -4.248 1.00 0.00 N ATOM 269 CA GLY A 23 -0.864 15.473 -3.326 1.00 0.00 C ATOM 270 C GLY A 23 -1.886 15.115 -2.265 1.00 0.00 C ATOM 271 O GLY A 23 -3.043 14.834 -2.579 1.00 0.00 O ATOM 0 H GLY A 23 -1.239 13.582 -4.145 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.071 15.758 -2.844 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.213 16.342 -3.883 1.00 0.00 H new ATOM 275 N ARG A 24 -1.459 15.122 -1.007 1.00 0.00 N ATOM 276 CA ARG A 24 -2.345 14.793 0.103 1.00 0.00 C ATOM 277 C ARG A 24 -3.724 15.413 -0.100 1.00 0.00 C ATOM 278 O ARG A 24 -3.842 16.577 -0.483 1.00 0.00 O ATOM 279 CB ARG A 24 -1.745 15.278 1.424 1.00 0.00 C ATOM 280 CG ARG A 24 -1.949 16.763 1.676 1.00 0.00 C ATOM 281 CD ARG A 24 -1.144 17.609 0.703 1.00 0.00 C ATOM 282 NE ARG A 24 -1.182 19.027 1.050 1.00 0.00 N ATOM 283 CZ ARG A 24 -0.311 19.920 0.592 1.00 0.00 C ATOM 284 NH1 ARG A 24 0.661 19.542 -0.228 1.00 0.00 N ATOM 285 NH2 ARG A 24 -0.412 21.193 0.952 1.00 0.00 N ATOM 0 H ARG A 24 -0.504 15.352 -0.731 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.455 13.709 0.138 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.190 14.714 2.244 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.677 15.060 1.430 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.007 17.007 1.583 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.656 17.003 2.698 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.110 17.266 0.694 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.534 17.472 -0.305 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.918 19.350 1.679 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.741 18.564 -0.508 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.329 20.229 -0.578 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.159 21.487 1.581 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.257 21.877 0.600 1.00 0.00 H new ATOM 299 N ARG A 25 -4.764 14.627 0.159 1.00 0.00 N ATOM 300 CA ARG A 25 -6.135 15.098 0.003 1.00 0.00 C ATOM 301 C ARG A 25 -7.129 14.055 0.506 1.00 0.00 C ATOM 302 O ARG A 25 -6.976 12.862 0.247 1.00 0.00 O ATOM 303 CB ARG A 25 -6.421 15.425 -1.464 1.00 0.00 C ATOM 304 CG ARG A 25 -6.278 14.231 -2.393 1.00 0.00 C ATOM 305 CD ARG A 25 -6.936 14.491 -3.739 1.00 0.00 C ATOM 306 NE ARG A 25 -6.291 15.584 -4.462 1.00 0.00 N ATOM 307 CZ ARG A 25 -6.351 15.730 -5.781 1.00 0.00 C ATOM 308 NH1 ARG A 25 -7.024 14.857 -6.517 1.00 0.00 N ATOM 309 NH2 ARG A 25 -5.739 16.751 -6.365 1.00 0.00 N ATOM 0 H ARG A 25 -4.683 13.661 0.478 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.251 16.003 0.599 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.433 15.821 -1.549 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.742 16.212 -1.791 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.221 14.008 -2.540 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.728 13.353 -1.930 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.897 13.584 -4.343 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.989 14.728 -3.588 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.765 16.273 -3.924 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.497 14.071 -6.071 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.069 14.971 -7.530 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.221 17.425 -5.801 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.786 16.862 -7.378 1.00 0.00 H new ATOM 323 N SER A 26 -8.147 14.514 1.226 1.00 0.00 N ATOM 324 CA SER A 26 -9.164 13.621 1.769 1.00 0.00 C ATOM 325 C SER A 26 -10.224 13.303 0.719 1.00 0.00 C ATOM 326 O SER A 26 -10.783 14.202 0.093 1.00 0.00 O ATOM 327 CB SER A 26 -9.821 14.250 2.999 1.00 0.00 C ATOM 328 OG SER A 26 -10.371 13.256 3.847 1.00 0.00 O ATOM 0 H SER A 26 -8.290 15.499 1.447 1.00 0.00 H new ATOM 0 HA SER A 26 -8.677 12.691 2.062 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.084 14.835 3.549 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.605 14.939 2.684 1.00 0.00 H new ATOM 0 HG SER A 26 -10.784 13.683 4.627 1.00 0.00 H new ATOM 334 N ALA A 27 -10.495 12.015 0.532 1.00 0.00 N ATOM 335 CA ALA A 27 -11.489 11.576 -0.440 1.00 0.00 C ATOM 336 C ALA A 27 -11.943 10.149 -0.155 1.00 0.00 C ATOM 337 O ALA A 27 -11.244 9.367 0.491 1.00 0.00 O ATOM 338 CB ALA A 27 -10.929 11.683 -1.851 1.00 0.00 C ATOM 0 H ALA A 27 -10.040 11.257 1.041 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.358 12.229 -0.355 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.681 11.352 -2.567 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.661 12.719 -2.059 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.043 11.055 -1.939 1.00 0.00 H new ATOM 344 N PRO A 28 -13.140 9.799 -0.647 1.00 0.00 N ATOM 345 CA PRO A 28 -13.714 8.463 -0.457 1.00 0.00 C ATOM 346 C PRO A 28 -12.968 7.394 -1.248 1.00 0.00 C ATOM 347 O PRO A 28 -12.147 7.690 -2.116 1.00 0.00 O ATOM 348 CB PRO A 28 -15.145 8.614 -0.980 1.00 0.00 C ATOM 349 CG PRO A 28 -15.075 9.740 -1.954 1.00 0.00 C ATOM 350 CD PRO A 28 -14.027 10.680 -1.426 1.00 0.00 C ATOM 0 HA PRO A 28 -13.657 8.139 0.582 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -15.491 7.698 -1.458 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.841 8.833 -0.171 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -14.811 9.380 -2.948 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -16.039 10.240 -2.042 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -13.490 11.178 -2.233 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -14.464 11.461 -0.804 1.00 0.00 H new ATOM 358 N PRO A 29 -13.258 6.121 -0.943 1.00 0.00 N ATOM 359 CA PRO A 29 -12.626 4.982 -1.615 1.00 0.00 C ATOM 360 C PRO A 29 -13.078 4.840 -3.064 1.00 0.00 C ATOM 361 O PRO A 29 -14.057 5.458 -3.483 1.00 0.00 O ATOM 362 CB PRO A 29 -13.092 3.779 -0.789 1.00 0.00 C ATOM 363 CG PRO A 29 -14.373 4.219 -0.170 1.00 0.00 C ATOM 364 CD PRO A 29 -14.227 5.695 0.082 1.00 0.00 C ATOM 0 HA PRO A 29 -11.542 5.088 -1.665 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -13.237 2.900 -1.417 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.357 3.511 -0.030 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -15.215 4.018 -0.832 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -14.562 3.681 0.759 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -15.178 6.217 -0.023 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -13.862 5.897 1.089 1.00 0.00 H new ATOM 372 N LEU A 30 -12.359 4.023 -3.826 1.00 0.00 N ATOM 373 CA LEU A 30 -12.686 3.800 -5.230 1.00 0.00 C ATOM 374 C LEU A 30 -13.990 3.020 -5.367 1.00 0.00 C ATOM 375 O LEU A 30 -14.174 1.982 -4.734 1.00 0.00 O ATOM 376 CB LEU A 30 -11.552 3.044 -5.925 1.00 0.00 C ATOM 377 CG LEU A 30 -11.446 3.236 -7.438 1.00 0.00 C ATOM 378 CD1 LEU A 30 -10.032 2.943 -7.915 1.00 0.00 C ATOM 379 CD2 LEU A 30 -12.449 2.348 -8.159 1.00 0.00 C ATOM 0 H LEU A 30 -11.546 3.504 -3.495 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.812 4.772 -5.707 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.608 3.349 -5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.673 1.980 -5.722 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.678 4.275 -7.671 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.975 3.085 -8.994 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.334 3.621 -7.423 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.771 1.913 -7.670 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.360 2.497 -9.235 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.248 1.304 -7.920 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.459 2.606 -7.839 1.00 0.00 H new ATOM 391 N ASN A 31 -14.892 3.528 -6.201 1.00 0.00 N ATOM 392 CA ASN A 31 -16.178 2.879 -6.424 1.00 0.00 C ATOM 393 C ASN A 31 -16.004 1.577 -7.201 1.00 0.00 C ATOM 394 O ASN A 31 -16.054 1.565 -8.431 1.00 0.00 O ATOM 395 CB ASN A 31 -17.122 3.815 -7.181 1.00 0.00 C ATOM 396 CG ASN A 31 -17.583 4.983 -6.331 1.00 0.00 C ATOM 397 OD1 ASN A 31 -17.110 6.109 -6.493 1.00 0.00 O ATOM 398 ND2 ASN A 31 -18.510 4.720 -5.418 1.00 0.00 N ATOM 0 H ASN A 31 -14.755 4.387 -6.733 1.00 0.00 H new ATOM 0 HA ASN A 31 -16.611 2.646 -5.451 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.618 4.193 -8.070 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -17.991 3.252 -7.522 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -18.859 5.466 -4.816 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -18.874 3.772 -5.319 1.00 0.00 H new ATOM 405 N LEU A 32 -15.799 0.484 -6.474 1.00 0.00 N ATOM 406 CA LEU A 32 -15.617 -0.824 -7.094 1.00 0.00 C ATOM 407 C LEU A 32 -16.859 -1.230 -7.881 1.00 0.00 C ATOM 408 O LEU A 32 -16.791 -1.484 -9.084 1.00 0.00 O ATOM 409 CB LEU A 32 -15.307 -1.876 -6.029 1.00 0.00 C ATOM 410 CG LEU A 32 -14.186 -1.530 -5.049 1.00 0.00 C ATOM 411 CD1 LEU A 32 -14.026 -2.629 -4.010 1.00 0.00 C ATOM 412 CD2 LEU A 32 -12.879 -1.301 -5.793 1.00 0.00 C ATOM 0 H LEU A 32 -15.755 0.478 -5.455 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.777 -0.758 -7.785 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -16.216 -2.064 -5.458 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.048 -2.808 -6.532 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.453 -0.608 -4.533 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.223 -2.365 -3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.957 -2.743 -3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.783 -3.568 -4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.092 -1.056 -5.079 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.607 -2.206 -6.337 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.000 -0.477 -6.497 1.00 0.00 H new ATOM 424 N THR A 33 -17.996 -1.289 -7.194 1.00 0.00 N ATOM 425 CA THR A 33 -19.254 -1.663 -7.828 1.00 0.00 C ATOM 426 C THR A 33 -19.314 -1.165 -9.267 1.00 0.00 C ATOM 427 O THR A 33 -19.491 0.027 -9.515 1.00 0.00 O ATOM 428 CB THR A 33 -20.462 -1.105 -7.052 1.00 0.00 C ATOM 429 OG1 THR A 33 -21.679 -1.463 -7.717 1.00 0.00 O ATOM 430 CG2 THR A 33 -20.372 0.408 -6.927 1.00 0.00 C ATOM 0 H THR A 33 -18.071 -1.082 -6.198 1.00 0.00 H new ATOM 0 HA THR A 33 -19.300 -2.752 -7.822 1.00 0.00 H new ATOM 0 HB THR A 33 -20.455 -1.537 -6.051 1.00 0.00 H new ATOM 0 HG1 THR A 33 -22.442 -1.106 -7.217 1.00 0.00 H new ATOM 0 HG21 THR A 33 -21.236 0.780 -6.375 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.459 0.675 -6.395 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.357 0.855 -7.921 1.00 0.00 H new ATOM 438 N GLY A 34 -19.165 -2.085 -10.215 1.00 0.00 N ATOM 439 CA GLY A 34 -19.206 -1.719 -11.618 1.00 0.00 C ATOM 440 C GLY A 34 -17.934 -2.092 -12.353 1.00 0.00 C ATOM 441 O GLY A 34 -17.981 -2.707 -13.419 1.00 0.00 O ATOM 0 H GLY A 34 -19.017 -3.078 -10.036 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -20.054 -2.211 -12.094 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.371 -0.645 -11.705 1.00 0.00 H new ATOM 445 N LEU A 35 -16.793 -1.719 -11.783 1.00 0.00 N ATOM 446 CA LEU A 35 -15.501 -2.016 -12.392 1.00 0.00 C ATOM 447 C LEU A 35 -15.347 -3.514 -12.638 1.00 0.00 C ATOM 448 O LEU A 35 -15.792 -4.347 -11.848 1.00 0.00 O ATOM 449 CB LEU A 35 -14.366 -1.516 -11.496 1.00 0.00 C ATOM 450 CG LEU A 35 -14.063 -0.019 -11.570 1.00 0.00 C ATOM 451 CD1 LEU A 35 -13.358 0.446 -10.305 1.00 0.00 C ATOM 452 CD2 LEU A 35 -13.221 0.294 -12.798 1.00 0.00 C ATOM 0 H LEU A 35 -16.736 -1.211 -10.901 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.452 -1.501 -13.352 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -14.608 -1.767 -10.463 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.459 -2.063 -11.753 1.00 0.00 H new ATOM 0 HG LEU A 35 -15.007 0.520 -11.654 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.150 1.514 -10.376 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.997 0.257 -9.442 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.421 -0.099 -10.189 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -13.015 1.364 -12.835 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.281 -0.255 -12.744 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.763 -0.002 -13.696 1.00 0.00 H new ATOM 464 N PRO A 36 -14.701 -3.866 -13.759 1.00 0.00 N ATOM 465 CA PRO A 36 -14.471 -5.264 -14.134 1.00 0.00 C ATOM 466 C PRO A 36 -13.462 -5.951 -13.220 1.00 0.00 C ATOM 467 O PRO A 36 -12.468 -5.351 -12.815 1.00 0.00 O ATOM 468 CB PRO A 36 -13.920 -5.164 -15.559 1.00 0.00 C ATOM 469 CG PRO A 36 -13.308 -3.807 -15.633 1.00 0.00 C ATOM 470 CD PRO A 36 -14.145 -2.926 -14.747 1.00 0.00 C ATOM 0 HA PRO A 36 -15.379 -5.861 -14.055 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -13.182 -5.942 -15.754 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.712 -5.282 -16.299 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.272 -3.827 -15.296 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.302 -3.437 -16.658 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.546 -2.150 -14.271 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.931 -2.422 -15.309 1.00 0.00 H new ATOM 478 N GLY A 37 -13.725 -7.215 -12.899 1.00 0.00 N ATOM 479 CA GLY A 37 -12.831 -7.962 -12.035 1.00 0.00 C ATOM 480 C GLY A 37 -13.301 -7.986 -10.594 1.00 0.00 C ATOM 481 O GLY A 37 -12.833 -8.796 -9.793 1.00 0.00 O ATOM 0 H GLY A 37 -14.541 -7.734 -13.222 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.746 -8.984 -12.403 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.835 -7.522 -12.081 1.00 0.00 H new ATOM 485 N THR A 38 -14.229 -7.094 -10.262 1.00 0.00 N ATOM 486 CA THR A 38 -14.761 -7.014 -8.907 1.00 0.00 C ATOM 487 C THR A 38 -15.249 -8.376 -8.426 1.00 0.00 C ATOM 488 O THR A 38 -15.266 -8.650 -7.227 1.00 0.00 O ATOM 489 CB THR A 38 -15.922 -6.005 -8.819 1.00 0.00 C ATOM 490 OG1 THR A 38 -15.506 -4.733 -9.329 1.00 0.00 O ATOM 491 CG2 THR A 38 -16.396 -5.851 -7.381 1.00 0.00 C ATOM 0 H THR A 38 -14.628 -6.417 -10.913 1.00 0.00 H new ATOM 0 HA THR A 38 -13.946 -6.677 -8.267 1.00 0.00 H new ATOM 0 HB THR A 38 -16.749 -6.383 -9.420 1.00 0.00 H new ATOM 0 HG1 THR A 38 -15.984 -4.543 -10.163 1.00 0.00 H new ATOM 0 HG21 THR A 38 -17.216 -5.134 -7.343 1.00 0.00 H new ATOM 0 HG22 THR A 38 -16.739 -6.815 -7.006 1.00 0.00 H new ATOM 0 HG23 THR A 38 -15.573 -5.494 -6.763 1.00 0.00 H new ATOM 499 N GLU A 39 -15.643 -9.225 -9.370 1.00 0.00 N ATOM 500 CA GLU A 39 -16.131 -10.559 -9.040 1.00 0.00 C ATOM 501 C GLU A 39 -14.994 -11.576 -9.067 1.00 0.00 C ATOM 502 O GLU A 39 -15.048 -12.603 -8.390 1.00 0.00 O ATOM 503 CB GLU A 39 -17.230 -10.981 -10.018 1.00 0.00 C ATOM 504 CG GLU A 39 -16.707 -11.717 -11.240 1.00 0.00 C ATOM 505 CD GLU A 39 -17.800 -12.031 -12.244 1.00 0.00 C ATOM 506 OE1 GLU A 39 -18.480 -13.065 -12.078 1.00 0.00 O ATOM 507 OE2 GLU A 39 -17.975 -11.241 -13.195 1.00 0.00 O ATOM 0 H GLU A 39 -15.634 -9.013 -10.368 1.00 0.00 H new ATOM 0 HA GLU A 39 -16.544 -10.528 -8.032 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -17.943 -11.620 -9.497 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.775 -10.095 -10.344 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -15.939 -11.113 -11.722 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -16.231 -12.645 -10.924 1.00 0.00 H new ATOM 514 N LYS A 40 -13.964 -11.284 -9.855 1.00 0.00 N ATOM 515 CA LYS A 40 -12.813 -12.170 -9.971 1.00 0.00 C ATOM 516 C LYS A 40 -12.091 -12.302 -8.634 1.00 0.00 C ATOM 517 O LYS A 40 -11.864 -13.410 -8.146 1.00 0.00 O ATOM 518 CB LYS A 40 -11.846 -11.647 -11.035 1.00 0.00 C ATOM 519 CG LYS A 40 -12.372 -11.782 -12.454 1.00 0.00 C ATOM 520 CD LYS A 40 -11.240 -11.824 -13.467 1.00 0.00 C ATOM 521 CE LYS A 40 -10.785 -13.250 -13.736 1.00 0.00 C ATOM 522 NZ LYS A 40 -9.378 -13.301 -14.221 1.00 0.00 N ATOM 0 H LYS A 40 -13.904 -10.439 -10.423 1.00 0.00 H new ATOM 0 HA LYS A 40 -13.173 -13.155 -10.268 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.631 -10.597 -10.834 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.903 -12.187 -10.953 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.969 -12.690 -12.537 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.032 -10.945 -12.679 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.567 -11.364 -14.399 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.399 -11.236 -13.099 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.876 -13.839 -12.823 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.441 -13.707 -14.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.106 -14.290 -14.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.296 -12.761 -15.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.748 -12.888 -13.504 1.00 0.00 H new ATOM 536 N LEU A 41 -11.733 -11.166 -8.045 1.00 0.00 N ATOM 537 CA LEU A 41 -11.038 -11.155 -6.763 1.00 0.00 C ATOM 538 C LEU A 41 -12.029 -11.208 -5.605 1.00 0.00 C ATOM 539 O LEU A 41 -13.234 -11.344 -5.813 1.00 0.00 O ATOM 540 CB LEU A 41 -10.165 -9.904 -6.645 1.00 0.00 C ATOM 541 CG LEU A 41 -10.731 -8.629 -7.271 1.00 0.00 C ATOM 542 CD1 LEU A 41 -12.164 -8.401 -6.813 1.00 0.00 C ATOM 543 CD2 LEU A 41 -9.860 -7.431 -6.921 1.00 0.00 C ATOM 0 H LEU A 41 -11.913 -10.241 -8.435 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.404 -12.040 -6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.978 -9.714 -5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.200 -10.114 -7.106 1.00 0.00 H new ATOM 0 HG LEU A 41 -10.732 -8.748 -8.355 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.551 -7.489 -7.268 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.781 -9.247 -7.114 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.188 -8.303 -5.728 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.278 -6.532 -7.375 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.827 -7.309 -5.838 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.850 -7.592 -7.299 1.00 0.00 H new ATOM 555 N ASN A 42 -11.513 -11.099 -4.385 1.00 0.00 N ATOM 556 CA ASN A 42 -12.354 -11.133 -3.194 1.00 0.00 C ATOM 557 C ASN A 42 -12.146 -9.882 -2.346 1.00 0.00 C ATOM 558 O ASN A 42 -11.329 -9.024 -2.678 1.00 0.00 O ATOM 559 CB ASN A 42 -12.048 -12.382 -2.365 1.00 0.00 C ATOM 560 CG ASN A 42 -12.390 -13.663 -3.101 1.00 0.00 C ATOM 561 OD1 ASN A 42 -13.063 -13.639 -4.132 1.00 0.00 O ATOM 562 ND2 ASN A 42 -11.927 -14.790 -2.573 1.00 0.00 N ATOM 0 H ASN A 42 -10.517 -10.986 -4.195 1.00 0.00 H new ATOM 0 HA ASN A 42 -13.395 -11.164 -3.515 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.990 -12.389 -2.101 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.609 -12.342 -1.432 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.125 -15.683 -3.024 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.373 -14.762 -1.717 1.00 0.00 H new ATOM 569 N GLU A 43 -12.891 -9.787 -1.249 1.00 0.00 N ATOM 570 CA GLU A 43 -12.789 -8.641 -0.353 1.00 0.00 C ATOM 571 C GLU A 43 -11.329 -8.270 -0.110 1.00 0.00 C ATOM 572 O GLU A 43 -10.936 -7.112 -0.258 1.00 0.00 O ATOM 573 CB GLU A 43 -13.479 -8.943 0.978 1.00 0.00 C ATOM 574 CG GLU A 43 -12.990 -10.219 1.642 1.00 0.00 C ATOM 575 CD GLU A 43 -13.981 -10.770 2.649 1.00 0.00 C ATOM 576 OE1 GLU A 43 -14.029 -10.247 3.782 1.00 0.00 O ATOM 577 OE2 GLU A 43 -14.709 -11.724 2.302 1.00 0.00 O ATOM 0 H GLU A 43 -13.571 -10.490 -0.960 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.287 -7.795 -0.827 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.320 -8.106 1.658 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.554 -9.019 0.811 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.799 -10.972 0.877 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.041 -10.024 2.141 1.00 0.00 H new ATOM 584 N LYS A 44 -10.528 -9.261 0.266 1.00 0.00 N ATOM 585 CA LYS A 44 -9.110 -9.042 0.531 1.00 0.00 C ATOM 586 C LYS A 44 -8.517 -8.055 -0.470 1.00 0.00 C ATOM 587 O LYS A 44 -8.124 -6.948 -0.104 1.00 0.00 O ATOM 588 CB LYS A 44 -8.348 -10.368 0.469 1.00 0.00 C ATOM 589 CG LYS A 44 -8.280 -11.092 1.803 1.00 0.00 C ATOM 590 CD LYS A 44 -7.053 -11.984 1.891 1.00 0.00 C ATOM 591 CE LYS A 44 -7.232 -13.078 2.933 1.00 0.00 C ATOM 592 NZ LYS A 44 -8.440 -13.906 2.665 1.00 0.00 N ATOM 0 H LYS A 44 -10.836 -10.225 0.394 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.013 -8.621 1.532 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.825 -11.018 -0.264 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.334 -10.179 0.115 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.260 -10.363 2.613 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.179 -11.694 1.938 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.860 -12.435 0.918 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.181 -11.381 2.142 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.349 -13.717 2.944 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.312 -12.628 3.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.310 -14.852 3.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.273 -13.453 3.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.582 -13.991 1.638 1.00 0.00 H new ATOM 606 N GLU A 45 -8.456 -8.465 -1.733 1.00 0.00 N ATOM 607 CA GLU A 45 -7.911 -7.615 -2.785 1.00 0.00 C ATOM 608 C GLU A 45 -8.741 -6.344 -2.944 1.00 0.00 C ATOM 609 O GLU A 45 -8.203 -5.237 -2.976 1.00 0.00 O ATOM 610 CB GLU A 45 -7.863 -8.375 -4.112 1.00 0.00 C ATOM 611 CG GLU A 45 -7.222 -9.748 -4.004 1.00 0.00 C ATOM 612 CD GLU A 45 -7.778 -10.733 -5.014 1.00 0.00 C ATOM 613 OE1 GLU A 45 -7.231 -10.809 -6.134 1.00 0.00 O ATOM 614 OE2 GLU A 45 -8.762 -11.429 -4.684 1.00 0.00 O ATOM 0 H GLU A 45 -8.777 -9.379 -2.052 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.898 -7.333 -2.499 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.878 -8.486 -4.494 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.311 -7.782 -4.841 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.146 -9.655 -4.148 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.376 -10.139 -2.998 1.00 0.00 H new ATOM 621 N LYS A 46 -10.055 -6.512 -3.043 1.00 0.00 N ATOM 622 CA LYS A 46 -10.962 -5.381 -3.198 1.00 0.00 C ATOM 623 C LYS A 46 -10.569 -4.238 -2.267 1.00 0.00 C ATOM 624 O LYS A 46 -10.605 -3.071 -2.655 1.00 0.00 O ATOM 625 CB LYS A 46 -12.402 -5.813 -2.912 1.00 0.00 C ATOM 626 CG LYS A 46 -13.007 -6.675 -4.007 1.00 0.00 C ATOM 627 CD LYS A 46 -14.331 -7.281 -3.572 1.00 0.00 C ATOM 628 CE LYS A 46 -15.395 -6.212 -3.375 1.00 0.00 C ATOM 629 NZ LYS A 46 -16.630 -6.766 -2.755 1.00 0.00 N ATOM 0 H LYS A 46 -10.516 -7.421 -3.019 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.892 -5.029 -4.227 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -12.427 -6.364 -1.972 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -13.019 -4.925 -2.778 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -13.158 -6.073 -4.903 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.311 -7.471 -4.271 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.668 -7.998 -4.321 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.192 -7.833 -2.643 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -14.998 -5.416 -2.745 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -15.642 -5.763 -4.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -17.330 -6.006 -2.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -17.024 -7.508 -3.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -16.400 -7.171 -1.825 1.00 0.00 H new ATOM 643 N GLU A 47 -10.194 -4.582 -1.040 1.00 0.00 N ATOM 644 CA GLU A 47 -9.794 -3.583 -0.055 1.00 0.00 C ATOM 645 C GLU A 47 -8.689 -2.687 -0.608 1.00 0.00 C ATOM 646 O GLU A 47 -8.773 -1.461 -0.533 1.00 0.00 O ATOM 647 CB GLU A 47 -9.319 -4.263 1.230 1.00 0.00 C ATOM 648 CG GLU A 47 -8.577 -3.332 2.173 1.00 0.00 C ATOM 649 CD GLU A 47 -8.682 -3.763 3.623 1.00 0.00 C ATOM 650 OE1 GLU A 47 -8.030 -4.761 3.995 1.00 0.00 O ATOM 651 OE2 GLU A 47 -9.418 -3.102 4.386 1.00 0.00 O ATOM 0 H GLU A 47 -10.159 -5.544 -0.703 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.662 -2.964 0.170 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.181 -4.681 1.750 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.668 -5.098 0.970 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.526 -3.292 1.885 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.975 -2.323 2.068 1.00 0.00 H new ATOM 658 N LEU A 48 -7.654 -3.308 -1.162 1.00 0.00 N ATOM 659 CA LEU A 48 -6.531 -2.568 -1.727 1.00 0.00 C ATOM 660 C LEU A 48 -7.005 -1.594 -2.800 1.00 0.00 C ATOM 661 O LEU A 48 -6.515 -0.468 -2.891 1.00 0.00 O ATOM 662 CB LEU A 48 -5.503 -3.535 -2.318 1.00 0.00 C ATOM 663 CG LEU A 48 -4.575 -4.223 -1.316 1.00 0.00 C ATOM 664 CD1 LEU A 48 -3.825 -5.367 -1.982 1.00 0.00 C ATOM 665 CD2 LEU A 48 -3.599 -3.220 -0.717 1.00 0.00 C ATOM 0 H LEU A 48 -7.569 -4.322 -1.232 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.064 -1.997 -0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.037 -4.304 -2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.890 -2.989 -3.035 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.183 -4.634 -0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.169 -5.845 -1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.539 -6.098 -2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.228 -4.979 -2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.947 -3.727 -0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.997 -2.779 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.154 -2.435 -0.204 1.00 0.00 H new ATOM 677 N CYS A 49 -7.963 -2.034 -3.609 1.00 0.00 N ATOM 678 CA CYS A 49 -8.506 -1.200 -4.676 1.00 0.00 C ATOM 679 C CYS A 49 -9.113 0.080 -4.110 1.00 0.00 C ATOM 680 O CYS A 49 -9.192 1.097 -4.797 1.00 0.00 O ATOM 681 CB CYS A 49 -9.560 -1.973 -5.469 1.00 0.00 C ATOM 682 SG CYS A 49 -8.877 -3.225 -6.580 1.00 0.00 S ATOM 0 H CYS A 49 -8.380 -2.963 -3.546 1.00 0.00 H new ATOM 0 HA CYS A 49 -7.688 -0.928 -5.343 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -10.243 -2.456 -4.770 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -10.150 -1.267 -6.054 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.980 -2.681 -7.348 1.00 0.00 H new ATOM 688 N GLN A 50 -9.543 0.019 -2.853 1.00 0.00 N ATOM 689 CA GLN A 50 -10.146 1.172 -2.196 1.00 0.00 C ATOM 690 C GLN A 50 -9.084 2.027 -1.513 1.00 0.00 C ATOM 691 O GLN A 50 -8.837 3.165 -1.911 1.00 0.00 O ATOM 692 CB GLN A 50 -11.188 0.716 -1.173 1.00 0.00 C ATOM 693 CG GLN A 50 -12.251 -0.202 -1.754 1.00 0.00 C ATOM 694 CD GLN A 50 -13.441 -0.374 -0.832 1.00 0.00 C ATOM 695 OE1 GLN A 50 -14.099 0.599 -0.460 1.00 0.00 O ATOM 696 NE2 GLN A 50 -13.726 -1.615 -0.457 1.00 0.00 N ATOM 0 H GLN A 50 -9.485 -0.816 -2.270 1.00 0.00 H new ATOM 0 HA GLN A 50 -10.637 1.777 -2.958 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -10.682 0.201 -0.357 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -11.672 1.593 -0.745 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -12.591 0.200 -2.708 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.811 -1.178 -1.958 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.155 -2.392 -0.789 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -14.516 -1.792 0.163 1.00 0.00 H new ATOM 705 N VAL A 51 -8.458 1.470 -0.481 1.00 0.00 N ATOM 706 CA VAL A 51 -7.421 2.180 0.258 1.00 0.00 C ATOM 707 C VAL A 51 -6.367 2.751 -0.684 1.00 0.00 C ATOM 708 O VAL A 51 -5.993 3.919 -0.581 1.00 0.00 O ATOM 709 CB VAL A 51 -6.733 1.261 1.285 1.00 0.00 C ATOM 710 CG1 VAL A 51 -6.250 -0.018 0.617 1.00 0.00 C ATOM 711 CG2 VAL A 51 -5.580 1.987 1.961 1.00 0.00 C ATOM 0 H VAL A 51 -8.651 0.529 -0.138 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.913 2.997 0.786 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.461 0.991 2.050 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.767 -0.655 1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.100 -0.546 0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.537 0.229 -0.170 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.105 1.323 2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.849 2.288 1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.958 2.871 2.475 1.00 0.00 H new ATOM 721 N VAL A 52 -5.891 1.918 -1.604 1.00 0.00 N ATOM 722 CA VAL A 52 -4.881 2.339 -2.567 1.00 0.00 C ATOM 723 C VAL A 52 -5.507 3.126 -3.713 1.00 0.00 C ATOM 724 O VAL A 52 -4.824 3.874 -4.412 1.00 0.00 O ATOM 725 CB VAL A 52 -4.118 1.132 -3.145 1.00 0.00 C ATOM 726 CG1 VAL A 52 -2.832 1.585 -3.818 1.00 0.00 C ATOM 727 CG2 VAL A 52 -3.828 0.113 -2.053 1.00 0.00 C ATOM 0 H VAL A 52 -6.189 0.947 -1.703 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.181 2.979 -2.030 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.745 0.655 -3.898 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.307 0.719 -4.220 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.069 2.274 -4.629 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.197 2.088 -3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.289 -0.733 -2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.221 0.576 -1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.767 -0.235 -1.622 1.00 0.00 H new ATOM 737 N ARG A 53 -6.812 2.952 -3.899 1.00 0.00 N ATOM 738 CA ARG A 53 -7.531 3.645 -4.960 1.00 0.00 C ATOM 739 C ARG A 53 -7.123 3.113 -6.331 1.00 0.00 C ATOM 740 O ARG A 53 -6.748 3.879 -7.220 1.00 0.00 O ATOM 741 CB ARG A 53 -7.266 5.150 -4.886 1.00 0.00 C ATOM 742 CG ARG A 53 -7.250 5.696 -3.468 1.00 0.00 C ATOM 743 CD ARG A 53 -7.603 7.175 -3.436 1.00 0.00 C ATOM 744 NE ARG A 53 -6.440 8.021 -3.688 1.00 0.00 N ATOM 745 CZ ARG A 53 -6.504 9.343 -3.806 1.00 0.00 C ATOM 746 NH1 ARG A 53 -7.669 9.966 -3.696 1.00 0.00 N ATOM 747 NH2 ARG A 53 -5.401 10.044 -4.034 1.00 0.00 N ATOM 0 H ARG A 53 -7.392 2.337 -3.328 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.597 3.463 -4.821 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.309 5.366 -5.360 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.031 5.674 -5.459 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.958 5.139 -2.854 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.263 5.547 -3.031 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.370 7.381 -4.183 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.029 7.425 -2.464 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.528 7.573 -3.778 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.519 9.430 -3.520 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.715 10.981 -3.787 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.503 9.568 -4.119 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.451 11.059 -4.124 1.00 0.00 H new ATOM 761 N LEU A 54 -7.199 1.797 -6.495 1.00 0.00 N ATOM 762 CA LEU A 54 -6.838 1.162 -7.758 1.00 0.00 C ATOM 763 C LEU A 54 -7.910 0.168 -8.194 1.00 0.00 C ATOM 764 O LEU A 54 -8.482 -0.545 -7.370 1.00 0.00 O ATOM 765 CB LEU A 54 -5.490 0.450 -7.626 1.00 0.00 C ATOM 766 CG LEU A 54 -4.636 0.389 -8.892 1.00 0.00 C ATOM 767 CD1 LEU A 54 -3.277 -0.223 -8.591 1.00 0.00 C ATOM 768 CD2 LEU A 54 -5.350 -0.401 -9.980 1.00 0.00 C ATOM 0 H LEU A 54 -7.507 1.149 -5.770 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.759 1.940 -8.518 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.913 0.948 -6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.672 -0.569 -7.285 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.481 1.406 -9.252 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.683 -0.258 -9.504 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.762 0.384 -7.846 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.410 -1.234 -8.206 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.727 -0.434 -10.874 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.536 -1.416 -9.630 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.299 0.081 -10.216 1.00 0.00 H new ATOM 780 N VAL A 55 -8.175 0.126 -9.496 1.00 0.00 N ATOM 781 CA VAL A 55 -9.176 -0.783 -10.043 1.00 0.00 C ATOM 782 C VAL A 55 -8.745 -2.236 -9.883 1.00 0.00 C ATOM 783 O VAL A 55 -7.566 -2.575 -9.995 1.00 0.00 O ATOM 784 CB VAL A 55 -9.439 -0.497 -11.533 1.00 0.00 C ATOM 785 CG1 VAL A 55 -9.733 0.980 -11.750 1.00 0.00 C ATOM 786 CG2 VAL A 55 -8.254 -0.943 -12.377 1.00 0.00 C ATOM 0 H VAL A 55 -7.711 0.710 -10.191 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.095 -0.617 -9.481 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.314 -1.066 -11.846 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.916 1.163 -12.809 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.614 1.264 -11.175 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.879 1.573 -11.422 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.456 -0.734 -13.427 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.361 -0.402 -12.065 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.095 -2.013 -12.244 1.00 0.00 H new ATOM 796 N PRO A 56 -9.720 -3.117 -9.617 1.00 0.00 N ATOM 797 CA PRO A 56 -9.466 -4.550 -9.437 1.00 0.00 C ATOM 798 C PRO A 56 -9.068 -5.235 -10.740 1.00 0.00 C ATOM 799 O PRO A 56 -8.299 -6.196 -10.738 1.00 0.00 O ATOM 800 CB PRO A 56 -10.808 -5.088 -8.937 1.00 0.00 C ATOM 801 CG PRO A 56 -11.820 -4.127 -9.458 1.00 0.00 C ATOM 802 CD PRO A 56 -11.147 -2.783 -9.470 1.00 0.00 C ATOM 0 HA PRO A 56 -8.637 -4.735 -8.754 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.993 -6.097 -9.307 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.833 -5.138 -7.848 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.147 -4.409 -10.459 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.707 -4.113 -8.825 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.502 -2.163 -10.294 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.338 -2.230 -8.550 1.00 0.00 H new ATOM 810 N GLY A 57 -9.598 -4.735 -11.852 1.00 0.00 N ATOM 811 CA GLY A 57 -9.286 -5.312 -13.147 1.00 0.00 C ATOM 812 C GLY A 57 -7.841 -5.093 -13.547 1.00 0.00 C ATOM 813 O GLY A 57 -7.319 -5.786 -14.419 1.00 0.00 O ATOM 0 H GLY A 57 -10.238 -3.941 -11.879 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.495 -6.381 -13.125 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.939 -4.875 -13.903 1.00 0.00 H new ATOM 817 N ALA A 58 -7.192 -4.124 -12.908 1.00 0.00 N ATOM 818 CA ALA A 58 -5.799 -3.815 -13.202 1.00 0.00 C ATOM 819 C ALA A 58 -4.863 -4.517 -12.224 1.00 0.00 C ATOM 820 O ALA A 58 -3.758 -4.922 -12.589 1.00 0.00 O ATOM 821 CB ALA A 58 -5.572 -2.311 -13.164 1.00 0.00 C ATOM 0 H ALA A 58 -7.610 -3.540 -12.183 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.576 -4.180 -14.205 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.527 -2.095 -13.386 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.208 -1.828 -13.906 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.819 -1.931 -12.173 1.00 0.00 H new ATOM 827 N TYR A 59 -5.310 -4.659 -10.982 1.00 0.00 N ATOM 828 CA TYR A 59 -4.511 -5.310 -9.951 1.00 0.00 C ATOM 829 C TYR A 59 -4.209 -6.757 -10.328 1.00 0.00 C ATOM 830 O TYR A 59 -3.198 -7.322 -9.911 1.00 0.00 O ATOM 831 CB TYR A 59 -5.239 -5.263 -8.606 1.00 0.00 C ATOM 832 CG TYR A 59 -4.751 -6.297 -7.617 1.00 0.00 C ATOM 833 CD1 TYR A 59 -3.522 -6.154 -6.983 1.00 0.00 C ATOM 834 CD2 TYR A 59 -5.516 -7.416 -7.316 1.00 0.00 C ATOM 835 CE1 TYR A 59 -3.071 -7.096 -6.079 1.00 0.00 C ATOM 836 CE2 TYR A 59 -5.074 -8.363 -6.412 1.00 0.00 C ATOM 837 CZ TYR A 59 -3.851 -8.198 -5.797 1.00 0.00 C ATOM 838 OH TYR A 59 -3.406 -9.139 -4.897 1.00 0.00 O ATOM 0 H TYR A 59 -6.222 -4.332 -10.664 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.567 -4.771 -9.865 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.118 -4.271 -8.171 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.306 -5.409 -8.775 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.909 -5.292 -7.201 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.474 -7.549 -7.797 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.113 -6.970 -5.596 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.683 -9.227 -6.189 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.947 -9.093 -4.081 1.00 0.00 H new ATOM 848 N LEU A 60 -5.094 -7.351 -11.121 1.00 0.00 N ATOM 849 CA LEU A 60 -4.924 -8.733 -11.557 1.00 0.00 C ATOM 850 C LEU A 60 -3.916 -8.824 -12.699 1.00 0.00 C ATOM 851 O LEU A 60 -3.242 -9.840 -12.864 1.00 0.00 O ATOM 852 CB LEU A 60 -6.266 -9.318 -12.000 1.00 0.00 C ATOM 853 CG LEU A 60 -7.398 -9.251 -10.974 1.00 0.00 C ATOM 854 CD1 LEU A 60 -8.733 -9.565 -11.631 1.00 0.00 C ATOM 855 CD2 LEU A 60 -7.131 -10.209 -9.822 1.00 0.00 C ATOM 0 H LEU A 60 -5.936 -6.898 -11.475 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.544 -9.309 -10.714 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.588 -8.796 -12.901 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.112 -10.362 -12.274 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.442 -8.237 -10.575 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.527 -9.513 -10.886 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.929 -8.840 -12.421 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.702 -10.568 -12.058 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.947 -10.148 -9.102 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.060 -11.227 -10.205 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.195 -9.939 -9.334 1.00 0.00 H new ATOM 867 N GLU A 61 -3.817 -7.753 -13.481 1.00 0.00 N ATOM 868 CA GLU A 61 -2.890 -7.712 -14.606 1.00 0.00 C ATOM 869 C GLU A 61 -1.446 -7.641 -14.118 1.00 0.00 C ATOM 870 O GLU A 61 -0.554 -8.269 -14.690 1.00 0.00 O ATOM 871 CB GLU A 61 -3.196 -6.513 -15.504 1.00 0.00 C ATOM 872 CG GLU A 61 -4.204 -6.815 -16.601 1.00 0.00 C ATOM 873 CD GLU A 61 -3.921 -8.126 -17.308 1.00 0.00 C ATOM 874 OE1 GLU A 61 -2.734 -8.498 -17.417 1.00 0.00 O ATOM 875 OE2 GLU A 61 -4.887 -8.780 -17.753 1.00 0.00 O ATOM 0 H GLU A 61 -4.367 -6.903 -13.356 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.016 -8.629 -15.182 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.575 -5.697 -14.889 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.269 -6.165 -15.960 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.205 -6.847 -16.171 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.196 -6.004 -17.330 1.00 0.00 H new ATOM 882 N TYR A 62 -1.223 -6.872 -13.058 1.00 0.00 N ATOM 883 CA TYR A 62 0.112 -6.716 -12.494 1.00 0.00 C ATOM 884 C TYR A 62 0.581 -8.010 -11.836 1.00 0.00 C ATOM 885 O TYR A 62 1.713 -8.450 -12.040 1.00 0.00 O ATOM 886 CB TYR A 62 0.127 -5.577 -11.473 1.00 0.00 C ATOM 887 CG TYR A 62 -0.567 -4.323 -11.954 1.00 0.00 C ATOM 888 CD1 TYR A 62 -0.606 -4.001 -13.305 1.00 0.00 C ATOM 889 CD2 TYR A 62 -1.184 -3.460 -11.058 1.00 0.00 C ATOM 890 CE1 TYR A 62 -1.238 -2.856 -13.749 1.00 0.00 C ATOM 891 CE2 TYR A 62 -1.821 -2.313 -11.493 1.00 0.00 C ATOM 892 CZ TYR A 62 -1.844 -2.015 -12.839 1.00 0.00 C ATOM 893 OH TYR A 62 -2.476 -0.874 -13.278 1.00 0.00 O ATOM 0 H TYR A 62 -1.950 -6.347 -12.572 1.00 0.00 H new ATOM 0 HA TYR A 62 0.796 -6.475 -13.308 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.351 -5.917 -10.555 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.161 -5.337 -11.224 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.134 -4.658 -14.021 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.166 -3.689 -10.003 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.258 -2.620 -14.803 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.298 -1.654 -10.783 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.852 -0.393 -12.512 1.00 0.00 H new ATOM 903 N LYS A 63 -0.298 -8.616 -11.045 1.00 0.00 N ATOM 904 CA LYS A 63 0.022 -9.861 -10.357 1.00 0.00 C ATOM 905 C LYS A 63 0.929 -10.738 -11.214 1.00 0.00 C ATOM 906 O LYS A 63 1.931 -11.268 -10.733 1.00 0.00 O ATOM 907 CB LYS A 63 -1.260 -10.620 -10.010 1.00 0.00 C ATOM 908 CG LYS A 63 -2.073 -9.968 -8.906 1.00 0.00 C ATOM 909 CD LYS A 63 -1.654 -10.470 -7.534 1.00 0.00 C ATOM 910 CE LYS A 63 -2.368 -11.764 -7.172 1.00 0.00 C ATOM 911 NZ LYS A 63 -3.818 -11.544 -6.915 1.00 0.00 N ATOM 0 H LYS A 63 -1.238 -8.265 -10.864 1.00 0.00 H new ATOM 0 HA LYS A 63 0.550 -9.613 -9.436 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.877 -10.701 -10.905 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.001 -11.635 -9.708 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.949 -8.886 -8.952 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.132 -10.174 -9.062 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.576 -10.631 -7.518 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.874 -9.710 -6.784 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.248 -12.484 -7.982 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.904 -12.199 -6.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.177 -12.292 -6.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.954 -10.618 -6.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.338 -11.568 -7.816 1.00 0.00 H new ATOM 925 N SER A 64 0.572 -10.886 -12.486 1.00 0.00 N ATOM 926 CA SER A 64 1.352 -11.702 -13.409 1.00 0.00 C ATOM 927 C SER A 64 2.783 -11.183 -13.515 1.00 0.00 C ATOM 928 O SER A 64 3.741 -11.921 -13.283 1.00 0.00 O ATOM 929 CB SER A 64 0.698 -11.712 -14.792 1.00 0.00 C ATOM 930 OG SER A 64 -0.598 -12.282 -14.739 1.00 0.00 O ATOM 0 H SER A 64 -0.252 -10.451 -12.901 1.00 0.00 H new ATOM 0 HA SER A 64 1.380 -12.720 -13.021 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.635 -10.694 -15.175 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.319 -12.277 -15.487 1.00 0.00 H new ATOM 0 HG SER A 64 -0.995 -12.275 -15.635 1.00 0.00 H new ATOM 936 N ALA A 65 2.920 -9.909 -13.867 1.00 0.00 N ATOM 937 CA ALA A 65 4.233 -9.291 -14.002 1.00 0.00 C ATOM 938 C ALA A 65 5.027 -9.399 -12.704 1.00 0.00 C ATOM 939 O ALA A 65 6.131 -9.944 -12.683 1.00 0.00 O ATOM 940 CB ALA A 65 4.090 -7.834 -14.416 1.00 0.00 C ATOM 0 H ALA A 65 2.138 -9.285 -14.064 1.00 0.00 H new ATOM 0 HA ALA A 65 4.781 -9.826 -14.778 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.078 -7.385 -14.513 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.570 -7.777 -15.372 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.519 -7.295 -13.660 1.00 0.00 H new ATOM 946 N LEU A 66 4.458 -8.875 -11.623 1.00 0.00 N ATOM 947 CA LEU A 66 5.113 -8.913 -10.320 1.00 0.00 C ATOM 948 C LEU A 66 5.667 -10.303 -10.029 1.00 0.00 C ATOM 949 O LEU A 66 6.790 -10.447 -9.542 1.00 0.00 O ATOM 950 CB LEU A 66 4.131 -8.502 -9.222 1.00 0.00 C ATOM 951 CG LEU A 66 3.668 -7.045 -9.246 1.00 0.00 C ATOM 952 CD1 LEU A 66 3.107 -6.640 -7.892 1.00 0.00 C ATOM 953 CD2 LEU A 66 4.815 -6.127 -9.646 1.00 0.00 C ATOM 0 H LEU A 66 3.545 -8.419 -11.623 1.00 0.00 H new ATOM 0 HA LEU A 66 5.944 -8.208 -10.338 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.252 -9.143 -9.290 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.595 -8.699 -8.255 1.00 0.00 H new ATOM 0 HG LEU A 66 2.875 -6.949 -9.988 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.783 -5.600 -7.929 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.257 -7.276 -7.645 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.878 -6.753 -7.130 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.467 -5.094 -9.658 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.629 -6.228 -8.928 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.171 -6.401 -10.639 1.00 0.00 H new ATOM 965 N LEU A 67 4.875 -11.326 -10.331 1.00 0.00 N ATOM 966 CA LEU A 67 5.287 -12.707 -10.104 1.00 0.00 C ATOM 967 C LEU A 67 6.239 -13.178 -11.198 1.00 0.00 C ATOM 968 O LEU A 67 7.069 -14.058 -10.975 1.00 0.00 O ATOM 969 CB LEU A 67 4.062 -13.622 -10.049 1.00 0.00 C ATOM 970 CG LEU A 67 3.123 -13.416 -8.860 1.00 0.00 C ATOM 971 CD1 LEU A 67 1.758 -14.021 -9.148 1.00 0.00 C ATOM 972 CD2 LEU A 67 3.721 -14.019 -7.598 1.00 0.00 C ATOM 0 H LEU A 67 3.943 -11.225 -10.734 1.00 0.00 H new ATOM 0 HA LEU A 67 5.810 -12.752 -9.149 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.490 -13.485 -10.966 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.406 -14.656 -10.040 1.00 0.00 H new ATOM 0 HG LEU A 67 2.997 -12.345 -8.702 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.103 -13.865 -8.291 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.326 -13.542 -10.027 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.865 -15.090 -9.333 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.039 -13.863 -6.762 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.877 -15.088 -7.744 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.675 -13.539 -7.382 1.00 0.00 H new ATOM 984 N ASN A 68 6.115 -12.583 -12.380 1.00 0.00 N ATOM 985 CA ASN A 68 6.967 -12.941 -13.509 1.00 0.00 C ATOM 986 C ASN A 68 8.442 -12.800 -13.144 1.00 0.00 C ATOM 987 O ASN A 68 9.232 -13.720 -13.351 1.00 0.00 O ATOM 988 CB ASN A 68 6.643 -12.061 -14.718 1.00 0.00 C ATOM 989 CG ASN A 68 6.894 -12.771 -16.034 1.00 0.00 C ATOM 990 OD1 ASN A 68 8.041 -12.987 -16.427 1.00 0.00 O ATOM 991 ND2 ASN A 68 5.820 -13.139 -16.722 1.00 0.00 N ATOM 0 H ASN A 68 5.433 -11.851 -12.581 1.00 0.00 H new ATOM 0 HA ASN A 68 6.772 -13.983 -13.763 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.599 -11.751 -14.669 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.247 -11.155 -14.676 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.927 -13.621 -17.614 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.888 -12.939 -16.358 1.00 0.00 H new ATOM 998 N GLU A 69 8.803 -11.643 -12.599 1.00 0.00 N ATOM 999 CA GLU A 69 10.183 -11.382 -12.205 1.00 0.00 C ATOM 1000 C GLU A 69 10.575 -12.233 -11.001 1.00 0.00 C ATOM 1001 O GLU A 69 11.539 -12.997 -11.055 1.00 0.00 O ATOM 1002 CB GLU A 69 10.372 -9.899 -11.880 1.00 0.00 C ATOM 1003 CG GLU A 69 10.831 -9.069 -13.066 1.00 0.00 C ATOM 1004 CD GLU A 69 10.782 -7.579 -12.790 1.00 0.00 C ATOM 1005 OE1 GLU A 69 11.120 -7.175 -11.658 1.00 0.00 O ATOM 1006 OE2 GLU A 69 10.405 -6.817 -13.705 1.00 0.00 O ATOM 0 H GLU A 69 8.160 -10.872 -12.420 1.00 0.00 H new ATOM 0 HA GLU A 69 10.830 -11.648 -13.041 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.431 -9.495 -11.507 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.101 -9.802 -11.076 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.850 -9.352 -13.330 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.203 -9.296 -13.928 1.00 0.00 H new ATOM 1013 N CYS A 70 9.821 -12.094 -9.916 1.00 0.00 N ATOM 1014 CA CYS A 70 10.090 -12.849 -8.697 1.00 0.00 C ATOM 1015 C CYS A 70 10.084 -14.349 -8.973 1.00 0.00 C ATOM 1016 O CYS A 70 10.513 -15.146 -8.139 1.00 0.00 O ATOM 1017 CB CYS A 70 9.053 -12.511 -7.624 1.00 0.00 C ATOM 1018 SG CYS A 70 8.931 -13.739 -6.303 1.00 0.00 S ATOM 0 H CYS A 70 9.019 -11.466 -9.855 1.00 0.00 H new ATOM 0 HA CYS A 70 11.080 -12.569 -8.337 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.302 -11.545 -7.185 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.077 -12.404 -8.098 1.00 0.00 H new ATOM 0 HG CYS A 70 9.460 -14.858 -6.701 1.00 0.00 H new ATOM 1024 N HIS A 71 9.593 -14.726 -10.149 1.00 0.00 N ATOM 1025 CA HIS A 71 9.530 -16.132 -10.536 1.00 0.00 C ATOM 1026 C HIS A 71 10.859 -16.593 -11.125 1.00 0.00 C ATOM 1027 O HIS A 71 11.165 -17.786 -11.137 1.00 0.00 O ATOM 1028 CB HIS A 71 8.405 -16.354 -11.547 1.00 0.00 C ATOM 1029 CG HIS A 71 7.082 -16.656 -10.914 1.00 0.00 C ATOM 1030 ND1 HIS A 71 6.108 -17.413 -11.531 1.00 0.00 N ATOM 1031 CD2 HIS A 71 6.574 -16.301 -9.711 1.00 0.00 C ATOM 1032 CE1 HIS A 71 5.058 -17.508 -10.736 1.00 0.00 C ATOM 1033 NE2 HIS A 71 5.315 -16.842 -9.624 1.00 0.00 N ATOM 0 H HIS A 71 9.233 -14.079 -10.850 1.00 0.00 H new ATOM 0 HA HIS A 71 9.326 -16.721 -9.642 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.306 -15.465 -12.169 1.00 0.00 H new ATOM 0 HB3 HIS A 71 8.679 -17.177 -12.208 1.00 0.00 H new ATOM 0 HD1 HIS A 71 6.187 -17.834 -12.457 1.00 0.00 H new ATOM 0 HD2 HIS A 71 7.067 -15.703 -8.959 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.144 -18.040 -10.957 1.00 0.00 H new ATOM 1042 N LYS A 72 11.646 -15.641 -11.615 1.00 0.00 N ATOM 1043 CA LYS A 72 12.943 -15.948 -12.206 1.00 0.00 C ATOM 1044 C LYS A 72 14.060 -15.791 -11.179 1.00 0.00 C ATOM 1045 O LYS A 72 15.124 -16.396 -11.309 1.00 0.00 O ATOM 1046 CB LYS A 72 13.208 -15.037 -13.407 1.00 0.00 C ATOM 1047 CG LYS A 72 13.869 -13.721 -13.037 1.00 0.00 C ATOM 1048 CD LYS A 72 13.444 -12.601 -13.972 1.00 0.00 C ATOM 1049 CE LYS A 72 14.330 -12.540 -15.207 1.00 0.00 C ATOM 1050 NZ LYS A 72 13.872 -11.498 -16.167 1.00 0.00 N ATOM 0 H LYS A 72 11.408 -14.649 -11.614 1.00 0.00 H new ATOM 0 HA LYS A 72 12.925 -16.985 -12.541 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.842 -15.565 -14.120 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.264 -14.831 -13.911 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.609 -13.458 -12.011 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.953 -13.834 -13.073 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.407 -12.751 -14.274 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.488 -11.648 -13.444 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.357 -12.331 -14.907 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.333 -13.512 -15.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.501 -11.488 -16.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.901 -11.711 -16.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.893 -10.567 -15.705 1.00 0.00 H new ATOM 1064 N GLN A 73 13.810 -14.977 -10.159 1.00 0.00 N ATOM 1065 CA GLN A 73 14.795 -14.743 -9.110 1.00 0.00 C ATOM 1066 C GLN A 73 14.190 -14.985 -7.731 1.00 0.00 C ATOM 1067 O GLN A 73 14.636 -15.862 -6.992 1.00 0.00 O ATOM 1068 CB GLN A 73 15.335 -13.314 -9.199 1.00 0.00 C ATOM 1069 CG GLN A 73 14.271 -12.280 -9.527 1.00 0.00 C ATOM 1070 CD GLN A 73 14.842 -11.049 -10.202 1.00 0.00 C ATOM 1071 OE1 GLN A 73 15.026 -10.009 -9.569 1.00 0.00 O ATOM 1072 NE2 GLN A 73 15.125 -11.159 -11.495 1.00 0.00 N ATOM 0 H GLN A 73 12.934 -14.469 -10.037 1.00 0.00 H new ATOM 0 HA GLN A 73 15.616 -15.445 -9.254 1.00 0.00 H new ATOM 0 HB2 GLN A 73 15.804 -13.052 -8.250 1.00 0.00 H new ATOM 0 HB3 GLN A 73 16.114 -13.276 -9.961 1.00 0.00 H new ATOM 0 HG2 GLN A 73 13.520 -12.730 -10.176 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.763 -11.984 -8.609 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.957 -12.040 -11.981 1.00 0.00 H new ATOM 0 HE22 GLN A 73 15.511 -10.363 -12.002 1.00 0.00 H new ATOM 1081 N GLY A 74 13.171 -14.202 -7.391 1.00 0.00 N ATOM 1082 CA GLY A 74 12.522 -14.347 -6.101 1.00 0.00 C ATOM 1083 C GLY A 74 12.644 -13.100 -5.247 1.00 0.00 C ATOM 1084 O GLY A 74 11.846 -12.883 -4.336 1.00 0.00 O ATOM 0 H GLY A 74 12.783 -13.470 -7.986 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.468 -14.578 -6.252 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.961 -15.192 -5.570 1.00 0.00 H new ATOM 1088 N GLY A 75 13.647 -12.279 -5.541 1.00 0.00 N ATOM 1089 CA GLY A 75 13.853 -11.059 -4.783 1.00 0.00 C ATOM 1090 C GLY A 75 13.332 -9.832 -5.505 1.00 0.00 C ATOM 1091 O GLY A 75 14.040 -9.230 -6.313 1.00 0.00 O ATOM 0 H GLY A 75 14.321 -12.437 -6.290 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.356 -11.147 -3.817 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.917 -10.935 -4.583 1.00 0.00 H new ATOM 1095 N LEU A 76 12.090 -9.461 -5.216 1.00 0.00 N ATOM 1096 CA LEU A 76 11.473 -8.298 -5.845 1.00 0.00 C ATOM 1097 C LEU A 76 11.006 -7.294 -4.796 1.00 0.00 C ATOM 1098 O LEU A 76 10.126 -7.590 -3.988 1.00 0.00 O ATOM 1099 CB LEU A 76 10.290 -8.731 -6.714 1.00 0.00 C ATOM 1100 CG LEU A 76 9.962 -7.825 -7.901 1.00 0.00 C ATOM 1101 CD1 LEU A 76 10.954 -8.047 -9.032 1.00 0.00 C ATOM 1102 CD2 LEU A 76 8.539 -8.070 -8.382 1.00 0.00 C ATOM 0 H LEU A 76 11.490 -9.948 -4.550 1.00 0.00 H new ATOM 0 HA LEU A 76 12.222 -7.817 -6.474 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.491 -9.733 -7.092 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.406 -8.800 -6.080 1.00 0.00 H new ATOM 0 HG LEU A 76 10.041 -6.788 -7.574 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.705 -7.394 -9.868 1.00 0.00 H new ATOM 0 HD12 LEU A 76 11.961 -7.820 -8.682 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.908 -9.086 -9.357 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.323 -7.416 -9.227 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.433 -9.110 -8.691 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.840 -7.859 -7.573 1.00 0.00 H new ATOM 1114 N ARG A 77 11.601 -6.106 -4.816 1.00 0.00 N ATOM 1115 CA ARG A 77 11.246 -5.058 -3.867 1.00 0.00 C ATOM 1116 C ARG A 77 10.408 -3.975 -4.541 1.00 0.00 C ATOM 1117 O ARG A 77 10.039 -4.099 -5.710 1.00 0.00 O ATOM 1118 CB ARG A 77 12.508 -4.439 -3.262 1.00 0.00 C ATOM 1119 CG ARG A 77 13.447 -3.838 -4.296 1.00 0.00 C ATOM 1120 CD ARG A 77 14.379 -2.812 -3.671 1.00 0.00 C ATOM 1121 NE ARG A 77 13.646 -1.714 -3.047 1.00 0.00 N ATOM 1122 CZ ARG A 77 14.233 -0.663 -2.486 1.00 0.00 C ATOM 1123 NH1 ARG A 77 15.555 -0.567 -2.473 1.00 0.00 N ATOM 1124 NH2 ARG A 77 13.497 0.296 -1.938 1.00 0.00 N ATOM 0 H ARG A 77 12.331 -5.845 -5.479 1.00 0.00 H new ATOM 0 HA ARG A 77 10.653 -5.509 -3.071 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.218 -3.664 -2.553 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.043 -5.203 -2.698 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.035 -4.630 -4.760 1.00 0.00 H new ATOM 0 HG3 ARG A 77 12.865 -3.368 -5.088 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.006 -3.299 -2.925 1.00 0.00 H new ATOM 0 HD3 ARG A 77 15.045 -2.414 -4.436 1.00 0.00 H new ATOM 0 HE ARG A 77 12.627 -1.757 -3.042 1.00 0.00 H new ATOM 0 HH11 ARG A 77 16.124 -1.301 -2.894 1.00 0.00 H new ATOM 0 HH12 ARG A 77 16.003 0.241 -2.042 1.00 0.00 H new ATOM 0 HH21 ARG A 77 12.479 0.226 -1.947 1.00 0.00 H new ATOM 0 HH22 ARG A 77 13.949 1.103 -1.507 1.00 0.00 H new ATOM 1138 N LEU A 78 10.112 -2.915 -3.797 1.00 0.00 N ATOM 1139 CA LEU A 78 9.317 -1.810 -4.322 1.00 0.00 C ATOM 1140 C LEU A 78 9.998 -1.175 -5.530 1.00 0.00 C ATOM 1141 O LEU A 78 9.449 -1.164 -6.631 1.00 0.00 O ATOM 1142 CB LEU A 78 9.092 -0.757 -3.236 1.00 0.00 C ATOM 1143 CG LEU A 78 8.162 0.400 -3.605 1.00 0.00 C ATOM 1144 CD1 LEU A 78 6.724 -0.085 -3.711 1.00 0.00 C ATOM 1145 CD2 LEU A 78 8.275 1.522 -2.584 1.00 0.00 C ATOM 0 H LEU A 78 10.410 -2.797 -2.829 1.00 0.00 H new ATOM 0 HA LEU A 78 8.353 -2.207 -4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.688 -1.254 -2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.060 -0.343 -2.953 1.00 0.00 H new ATOM 0 HG LEU A 78 8.465 0.789 -4.577 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.076 0.751 -3.974 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.655 -0.854 -4.481 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.409 -0.501 -2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.606 2.336 -2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.998 1.147 -1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.301 1.888 -2.558 1.00 0.00 H new ATOM 1157 N ALA A 79 11.199 -0.648 -5.315 1.00 0.00 N ATOM 1158 CA ALA A 79 11.958 -0.014 -6.387 1.00 0.00 C ATOM 1159 C ALA A 79 11.793 -0.773 -7.699 1.00 0.00 C ATOM 1160 O ALA A 79 11.871 -0.187 -8.779 1.00 0.00 O ATOM 1161 CB ALA A 79 13.429 0.077 -6.009 1.00 0.00 C ATOM 0 H ALA A 79 11.667 -0.647 -4.409 1.00 0.00 H new ATOM 0 HA ALA A 79 11.567 0.994 -6.529 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.984 0.552 -6.818 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.535 0.669 -5.100 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.823 -0.925 -5.838 1.00 0.00 H new ATOM 1167 N GLN A 80 11.565 -2.079 -7.598 1.00 0.00 N ATOM 1168 CA GLN A 80 11.390 -2.917 -8.778 1.00 0.00 C ATOM 1169 C GLN A 80 9.917 -3.020 -9.160 1.00 0.00 C ATOM 1170 O GLN A 80 9.555 -2.859 -10.325 1.00 0.00 O ATOM 1171 CB GLN A 80 11.963 -4.313 -8.528 1.00 0.00 C ATOM 1172 CG GLN A 80 13.335 -4.299 -7.872 1.00 0.00 C ATOM 1173 CD GLN A 80 14.180 -5.496 -8.262 1.00 0.00 C ATOM 1174 OE1 GLN A 80 14.335 -5.803 -9.444 1.00 0.00 O ATOM 1175 NE2 GLN A 80 14.732 -6.180 -7.266 1.00 0.00 N ATOM 0 H GLN A 80 11.497 -2.579 -6.712 1.00 0.00 H new ATOM 0 HA GLN A 80 11.929 -2.453 -9.604 1.00 0.00 H new ATOM 0 HB2 GLN A 80 11.273 -4.872 -7.896 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.029 -4.845 -9.477 1.00 0.00 H new ATOM 0 HG2 GLN A 80 13.857 -3.384 -8.151 1.00 0.00 H new ATOM 0 HG3 GLN A 80 13.216 -4.281 -6.789 1.00 0.00 H new ATOM 0 HE21 GLN A 80 14.577 -5.890 -6.301 1.00 0.00 H new ATOM 0 HE22 GLN A 80 15.311 -6.995 -7.467 1.00 0.00 H new ATOM 1184 N ALA A 81 9.072 -3.289 -8.170 1.00 0.00 N ATOM 1185 CA ALA A 81 7.639 -3.412 -8.402 1.00 0.00 C ATOM 1186 C ALA A 81 7.089 -2.177 -9.108 1.00 0.00 C ATOM 1187 O ALA A 81 6.402 -2.286 -10.124 1.00 0.00 O ATOM 1188 CB ALA A 81 6.909 -3.639 -7.086 1.00 0.00 C ATOM 0 H ALA A 81 9.356 -3.426 -7.200 1.00 0.00 H new ATOM 0 HA ALA A 81 7.473 -4.273 -9.050 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.839 -3.729 -7.274 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.274 -4.555 -6.621 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.090 -2.796 -6.419 1.00 0.00 H new ATOM 1194 N ARG A 82 7.395 -1.005 -8.563 1.00 0.00 N ATOM 1195 CA ARG A 82 6.930 0.251 -9.140 1.00 0.00 C ATOM 1196 C ARG A 82 7.461 0.426 -10.560 1.00 0.00 C ATOM 1197 O ARG A 82 6.963 1.256 -11.321 1.00 0.00 O ATOM 1198 CB ARG A 82 7.368 1.430 -8.271 1.00 0.00 C ATOM 1199 CG ARG A 82 8.723 2.001 -8.656 1.00 0.00 C ATOM 1200 CD ARG A 82 9.171 3.080 -7.683 1.00 0.00 C ATOM 1201 NE ARG A 82 10.616 3.288 -7.723 1.00 0.00 N ATOM 1202 CZ ARG A 82 11.232 4.287 -7.101 1.00 0.00 C ATOM 1203 NH1 ARG A 82 10.532 5.164 -6.395 1.00 0.00 N ATOM 1204 NH2 ARG A 82 12.550 4.409 -7.184 1.00 0.00 N ATOM 0 H ARG A 82 7.963 -0.898 -7.723 1.00 0.00 H new ATOM 0 HA ARG A 82 5.841 0.223 -9.178 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.618 2.218 -8.339 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.401 1.110 -7.229 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.463 1.201 -8.679 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.671 2.416 -9.662 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.664 4.015 -7.920 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.873 2.803 -6.672 1.00 0.00 H new ATOM 0 HE ARG A 82 11.183 2.630 -8.258 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.518 5.072 -6.329 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.007 5.930 -5.918 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.091 3.735 -7.726 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.022 5.176 -6.706 1.00 0.00 H new ATOM 1218 N ALA A 83 8.474 -0.359 -10.908 1.00 0.00 N ATOM 1219 CA ALA A 83 9.072 -0.292 -12.236 1.00 0.00 C ATOM 1220 C ALA A 83 8.389 -1.260 -13.196 1.00 0.00 C ATOM 1221 O ALA A 83 8.583 -1.187 -14.410 1.00 0.00 O ATOM 1222 CB ALA A 83 10.563 -0.586 -12.159 1.00 0.00 C ATOM 0 H ALA A 83 8.899 -1.049 -10.289 1.00 0.00 H new ATOM 0 HA ALA A 83 8.931 0.718 -12.620 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.996 -0.533 -13.158 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.046 0.148 -11.514 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.716 -1.585 -11.750 1.00 0.00 H new ATOM 1228 N LEU A 84 7.589 -2.166 -12.644 1.00 0.00 N ATOM 1229 CA LEU A 84 6.876 -3.150 -13.452 1.00 0.00 C ATOM 1230 C LEU A 84 5.527 -2.606 -13.908 1.00 0.00 C ATOM 1231 O LEU A 84 4.963 -3.068 -14.900 1.00 0.00 O ATOM 1232 CB LEU A 84 6.676 -4.442 -12.658 1.00 0.00 C ATOM 1233 CG LEU A 84 7.784 -5.488 -12.787 1.00 0.00 C ATOM 1234 CD1 LEU A 84 7.796 -6.405 -11.574 1.00 0.00 C ATOM 1235 CD2 LEU A 84 7.609 -6.295 -14.065 1.00 0.00 C ATOM 0 H LEU A 84 7.418 -2.240 -11.641 1.00 0.00 H new ATOM 0 HA LEU A 84 7.478 -3.363 -14.335 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.568 -4.184 -11.604 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.737 -4.896 -12.973 1.00 0.00 H new ATOM 0 HG LEU A 84 8.742 -4.970 -12.836 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.591 -7.143 -11.683 1.00 0.00 H new ATOM 0 HD12 LEU A 84 7.970 -5.815 -10.674 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.836 -6.915 -11.494 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.406 -7.035 -14.140 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.644 -6.802 -14.046 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.651 -5.627 -14.926 1.00 0.00 H new ATOM 1247 N ILE A 85 5.015 -1.620 -13.179 1.00 0.00 N ATOM 1248 CA ILE A 85 3.733 -1.010 -13.511 1.00 0.00 C ATOM 1249 C ILE A 85 3.898 0.468 -13.848 1.00 0.00 C ATOM 1250 O ILE A 85 3.034 1.072 -14.484 1.00 0.00 O ATOM 1251 CB ILE A 85 2.726 -1.153 -12.355 1.00 0.00 C ATOM 1252 CG1 ILE A 85 3.458 -1.183 -11.012 1.00 0.00 C ATOM 1253 CG2 ILE A 85 1.887 -2.409 -12.535 1.00 0.00 C ATOM 1254 CD1 ILE A 85 2.571 -1.565 -9.848 1.00 0.00 C ATOM 0 H ILE A 85 5.468 -1.226 -12.354 1.00 0.00 H new ATOM 0 HA ILE A 85 3.349 -1.538 -14.384 1.00 0.00 H new ATOM 0 HB ILE A 85 2.060 -0.290 -12.365 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.286 -1.889 -11.074 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.891 -0.201 -10.821 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.180 -2.496 -11.710 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.340 -2.350 -13.476 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.538 -3.283 -12.548 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.157 -1.566 -8.929 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.757 -0.845 -9.759 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.159 -2.560 -10.016 1.00 0.00 H new ATOM 1266 N LYS A 86 5.015 1.046 -13.418 1.00 0.00 N ATOM 1267 CA LYS A 86 5.297 2.453 -13.675 1.00 0.00 C ATOM 1268 C LYS A 86 4.186 3.340 -13.123 1.00 0.00 C ATOM 1269 O LYS A 86 3.808 4.335 -13.742 1.00 0.00 O ATOM 1270 CB LYS A 86 5.458 2.696 -15.178 1.00 0.00 C ATOM 1271 CG LYS A 86 6.712 2.070 -15.764 1.00 0.00 C ATOM 1272 CD LYS A 86 6.482 0.619 -16.153 1.00 0.00 C ATOM 1273 CE LYS A 86 5.782 0.508 -17.498 1.00 0.00 C ATOM 1274 NZ LYS A 86 6.745 0.576 -18.632 1.00 0.00 N ATOM 0 H LYS A 86 5.740 0.561 -12.889 1.00 0.00 H new ATOM 0 HA LYS A 86 6.228 2.709 -13.169 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.586 2.298 -15.697 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.477 3.770 -15.364 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.027 2.637 -16.640 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.523 2.129 -15.038 1.00 0.00 H new ATOM 0 HD2 LYS A 86 7.438 0.096 -16.195 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.882 0.126 -15.388 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.232 -0.432 -17.545 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.051 1.310 -17.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.229 0.497 -19.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.252 1.483 -18.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.428 -0.205 -18.555 1.00 0.00 H new ATOM 1288 N ILE A 87 3.668 2.975 -11.955 1.00 0.00 N ATOM 1289 CA ILE A 87 2.603 3.739 -11.319 1.00 0.00 C ATOM 1290 C ILE A 87 3.077 4.355 -10.006 1.00 0.00 C ATOM 1291 O ILE A 87 4.065 3.911 -9.421 1.00 0.00 O ATOM 1292 CB ILE A 87 1.367 2.863 -11.045 1.00 0.00 C ATOM 1293 CG1 ILE A 87 1.694 1.794 -10.000 1.00 0.00 C ATOM 1294 CG2 ILE A 87 0.878 2.219 -12.334 1.00 0.00 C ATOM 1295 CD1 ILE A 87 0.494 1.352 -9.192 1.00 0.00 C ATOM 0 H ILE A 87 3.969 2.154 -11.430 1.00 0.00 H new ATOM 0 HA ILE A 87 2.328 4.534 -12.013 1.00 0.00 H new ATOM 0 HB ILE A 87 0.571 3.496 -10.653 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.124 0.927 -10.501 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.456 2.180 -9.323 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.004 1.603 -12.124 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.611 2.996 -13.050 1.00 0.00 H new ATOM 0 HG23 ILE A 87 1.669 1.596 -12.752 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.800 0.594 -8.471 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.077 2.208 -8.662 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.260 0.935 -9.859 1.00 0.00 H new ATOM 1307 N ASP A 88 2.364 5.378 -9.548 1.00 0.00 N ATOM 1308 CA ASP A 88 2.709 6.053 -8.302 1.00 0.00 C ATOM 1309 C ASP A 88 3.253 5.061 -7.279 1.00 0.00 C ATOM 1310 O ASP A 88 2.526 4.196 -6.791 1.00 0.00 O ATOM 1311 CB ASP A 88 1.486 6.774 -7.732 1.00 0.00 C ATOM 1312 CG ASP A 88 1.864 7.966 -6.876 1.00 0.00 C ATOM 1313 OD1 ASP A 88 2.963 8.522 -7.085 1.00 0.00 O ATOM 1314 OD2 ASP A 88 1.062 8.343 -5.996 1.00 0.00 O ATOM 0 H ASP A 88 1.544 5.758 -10.021 1.00 0.00 H new ATOM 0 HA ASP A 88 3.486 6.787 -8.518 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.849 7.106 -8.552 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.900 6.074 -7.137 1.00 0.00 H new ATOM 1319 N VAL A 89 4.536 5.192 -6.959 1.00 0.00 N ATOM 1320 CA VAL A 89 5.178 4.308 -5.994 1.00 0.00 C ATOM 1321 C VAL A 89 4.372 4.226 -4.703 1.00 0.00 C ATOM 1322 O VAL A 89 4.292 3.171 -4.075 1.00 0.00 O ATOM 1323 CB VAL A 89 6.607 4.779 -5.665 1.00 0.00 C ATOM 1324 CG1 VAL A 89 6.605 6.242 -5.247 1.00 0.00 C ATOM 1325 CG2 VAL A 89 7.218 3.907 -4.578 1.00 0.00 C ATOM 0 H VAL A 89 5.152 5.903 -7.354 1.00 0.00 H new ATOM 0 HA VAL A 89 5.226 3.320 -6.453 1.00 0.00 H new ATOM 0 HB VAL A 89 7.218 4.683 -6.563 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.623 6.557 -5.019 1.00 0.00 H new ATOM 0 HG12 VAL A 89 6.210 6.852 -6.060 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.980 6.367 -4.363 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.228 4.254 -4.358 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.609 3.969 -3.676 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.256 2.873 -4.920 1.00 0.00 H new ATOM 1335 N ASN A 90 3.774 5.347 -4.313 1.00 0.00 N ATOM 1336 CA ASN A 90 2.973 5.402 -3.095 1.00 0.00 C ATOM 1337 C ASN A 90 1.811 4.416 -3.164 1.00 0.00 C ATOM 1338 O ASN A 90 1.317 3.949 -2.137 1.00 0.00 O ATOM 1339 CB ASN A 90 2.441 6.819 -2.874 1.00 0.00 C ATOM 1340 CG ASN A 90 3.543 7.861 -2.894 1.00 0.00 C ATOM 1341 OD1 ASN A 90 3.594 8.710 -3.784 1.00 0.00 O ATOM 1342 ND2 ASN A 90 4.433 7.799 -1.910 1.00 0.00 N ATOM 0 H ASN A 90 3.829 6.229 -4.822 1.00 0.00 H new ATOM 0 HA ASN A 90 3.612 5.126 -2.256 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.709 7.054 -3.647 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.920 6.863 -1.917 1.00 0.00 H new ATOM 0 HD21 ASN A 90 5.198 8.473 -1.871 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.351 7.078 -1.193 1.00 0.00 H new ATOM 1349 N LYS A 91 1.379 4.102 -4.380 1.00 0.00 N ATOM 1350 CA LYS A 91 0.277 3.170 -4.585 1.00 0.00 C ATOM 1351 C LYS A 91 0.757 1.726 -4.471 1.00 0.00 C ATOM 1352 O LYS A 91 0.384 1.008 -3.542 1.00 0.00 O ATOM 1353 CB LYS A 91 -0.364 3.398 -5.956 1.00 0.00 C ATOM 1354 CG LYS A 91 -1.324 4.574 -5.990 1.00 0.00 C ATOM 1355 CD LYS A 91 -2.430 4.362 -7.010 1.00 0.00 C ATOM 1356 CE LYS A 91 -1.902 3.702 -8.275 1.00 0.00 C ATOM 1357 NZ LYS A 91 -2.683 4.105 -9.478 1.00 0.00 N ATOM 0 H LYS A 91 1.776 4.480 -5.240 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.467 3.350 -3.809 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.422 3.560 -6.693 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.898 2.495 -6.253 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.762 4.716 -5.002 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.776 5.485 -6.230 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.214 3.742 -6.575 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.884 5.321 -7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.855 3.971 -8.415 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.941 2.618 -8.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.292 3.634 -10.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.677 3.826 -9.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.625 5.136 -9.600 1.00 0.00 H new ATOM 1371 N THR A 92 1.587 1.306 -5.420 1.00 0.00 N ATOM 1372 CA THR A 92 2.118 -0.051 -5.425 1.00 0.00 C ATOM 1373 C THR A 92 2.568 -0.471 -4.031 1.00 0.00 C ATOM 1374 O THR A 92 2.344 -1.606 -3.611 1.00 0.00 O ATOM 1375 CB THR A 92 3.305 -0.186 -6.398 1.00 0.00 C ATOM 1376 OG1 THR A 92 3.934 -1.461 -6.229 1.00 0.00 O ATOM 1377 CG2 THR A 92 4.322 0.921 -6.168 1.00 0.00 C ATOM 0 H THR A 92 1.906 1.887 -6.196 1.00 0.00 H new ATOM 0 HA THR A 92 1.311 -0.705 -5.755 1.00 0.00 H new ATOM 0 HB THR A 92 2.924 -0.101 -7.416 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.686 -1.540 -6.852 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.151 0.805 -6.866 1.00 0.00 H new ATOM 0 HG22 THR A 92 3.848 1.890 -6.326 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.698 0.863 -5.146 1.00 0.00 H new ATOM 1385 N ARG A 93 3.204 0.452 -3.317 1.00 0.00 N ATOM 1386 CA ARG A 93 3.687 0.177 -1.969 1.00 0.00 C ATOM 1387 C ARG A 93 2.674 -0.657 -1.189 1.00 0.00 C ATOM 1388 O ARG A 93 3.046 -1.512 -0.384 1.00 0.00 O ATOM 1389 CB ARG A 93 3.965 1.485 -1.227 1.00 0.00 C ATOM 1390 CG ARG A 93 5.387 1.994 -1.402 1.00 0.00 C ATOM 1391 CD ARG A 93 5.852 2.778 -0.185 1.00 0.00 C ATOM 1392 NE ARG A 93 5.841 1.965 1.028 1.00 0.00 N ATOM 1393 CZ ARG A 93 6.072 2.452 2.242 1.00 0.00 C ATOM 1394 NH1 ARG A 93 6.330 3.742 2.404 1.00 0.00 N ATOM 1395 NH2 ARG A 93 6.045 1.647 3.297 1.00 0.00 N ATOM 0 H ARG A 93 3.397 1.397 -3.650 1.00 0.00 H new ATOM 0 HA ARG A 93 4.614 -0.390 -2.051 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.269 2.247 -1.578 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.768 1.339 -0.165 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.058 1.152 -1.572 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.441 2.628 -2.287 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.860 3.154 -0.360 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.208 3.646 -0.045 1.00 0.00 H new ATOM 0 HE ARG A 93 5.645 0.968 0.938 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.351 4.363 1.595 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.507 4.113 3.337 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.847 0.654 3.176 1.00 0.00 H new ATOM 0 HH22 ARG A 93 6.222 2.022 4.229 1.00 0.00 H new ATOM 1409 N LYS A 94 1.393 -0.402 -1.432 1.00 0.00 N ATOM 1410 CA LYS A 94 0.326 -1.129 -0.754 1.00 0.00 C ATOM 1411 C LYS A 94 0.130 -2.510 -1.373 1.00 0.00 C ATOM 1412 O LYS A 94 -0.169 -3.477 -0.672 1.00 0.00 O ATOM 1413 CB LYS A 94 -0.982 -0.337 -0.823 1.00 0.00 C ATOM 1414 CG LYS A 94 -0.810 1.146 -0.546 1.00 0.00 C ATOM 1415 CD LYS A 94 -0.960 1.458 0.933 1.00 0.00 C ATOM 1416 CE LYS A 94 -0.150 2.684 1.329 1.00 0.00 C ATOM 1417 NZ LYS A 94 1.240 2.326 1.725 1.00 0.00 N ATOM 0 H LYS A 94 1.068 0.303 -2.094 1.00 0.00 H new ATOM 0 HA LYS A 94 0.613 -1.256 0.290 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.423 -0.465 -1.812 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.687 -0.753 -0.104 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.173 1.470 -0.889 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -1.548 1.711 -1.115 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.012 1.625 1.166 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.635 0.600 1.522 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.121 3.385 0.495 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.644 3.194 2.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.759 3.188 1.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.213 1.677 2.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.720 1.863 0.927 1.00 0.00 H new ATOM 1431 N ILE A 95 0.302 -2.594 -2.687 1.00 0.00 N ATOM 1432 CA ILE A 95 0.146 -3.857 -3.398 1.00 0.00 C ATOM 1433 C ILE A 95 1.300 -4.806 -3.093 1.00 0.00 C ATOM 1434 O ILE A 95 1.108 -5.855 -2.479 1.00 0.00 O ATOM 1435 CB ILE A 95 0.064 -3.639 -4.921 1.00 0.00 C ATOM 1436 CG1 ILE A 95 -1.102 -2.710 -5.263 1.00 0.00 C ATOM 1437 CG2 ILE A 95 -0.086 -4.972 -5.639 1.00 0.00 C ATOM 1438 CD1 ILE A 95 -1.230 -2.420 -6.742 1.00 0.00 C ATOM 0 H ILE A 95 0.549 -1.803 -3.281 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.787 -4.301 -3.052 1.00 0.00 H new ATOM 0 HB ILE A 95 0.989 -3.169 -5.256 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.030 -3.159 -4.907 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.976 -1.770 -4.726 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.143 -4.802 -6.714 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.774 -5.604 -5.416 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.997 -5.467 -5.301 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.077 -1.755 -6.910 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.318 -1.943 -7.099 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.387 -3.353 -7.283 1.00 0.00 H new ATOM 1450 N TYR A 96 2.498 -4.428 -3.525 1.00 0.00 N ATOM 1451 CA TYR A 96 3.684 -5.246 -3.298 1.00 0.00 C ATOM 1452 C TYR A 96 3.673 -5.845 -1.895 1.00 0.00 C ATOM 1453 O TYR A 96 3.763 -7.062 -1.727 1.00 0.00 O ATOM 1454 CB TYR A 96 4.950 -4.411 -3.498 1.00 0.00 C ATOM 1455 CG TYR A 96 6.208 -5.092 -3.006 1.00 0.00 C ATOM 1456 CD1 TYR A 96 6.589 -6.333 -3.500 1.00 0.00 C ATOM 1457 CD2 TYR A 96 7.016 -4.492 -2.048 1.00 0.00 C ATOM 1458 CE1 TYR A 96 7.736 -6.958 -3.053 1.00 0.00 C ATOM 1459 CE2 TYR A 96 8.166 -5.109 -1.596 1.00 0.00 C ATOM 1460 CZ TYR A 96 8.522 -6.343 -2.101 1.00 0.00 C ATOM 1461 OH TYR A 96 9.667 -6.962 -1.654 1.00 0.00 O ATOM 0 H TYR A 96 2.674 -3.562 -4.034 1.00 0.00 H new ATOM 0 HA TYR A 96 3.676 -6.061 -4.021 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.061 -4.183 -4.558 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.834 -3.460 -2.978 1.00 0.00 H new ATOM 0 HD1 TYR A 96 5.977 -6.817 -4.247 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.740 -3.527 -1.650 1.00 0.00 H new ATOM 0 HE1 TYR A 96 8.016 -7.924 -3.447 1.00 0.00 H new ATOM 0 HE2 TYR A 96 8.783 -4.628 -0.851 1.00 0.00 H new ATOM 0 HH TYR A 96 9.975 -7.605 -2.327 1.00 0.00 H new ATOM 1471 N ASP A 97 3.561 -4.982 -0.891 1.00 0.00 N ATOM 1472 CA ASP A 97 3.536 -5.425 0.498 1.00 0.00 C ATOM 1473 C ASP A 97 2.542 -6.566 0.687 1.00 0.00 C ATOM 1474 O ASP A 97 2.918 -7.673 1.074 1.00 0.00 O ATOM 1475 CB ASP A 97 3.175 -4.259 1.420 1.00 0.00 C ATOM 1476 CG ASP A 97 4.395 -3.484 1.878 1.00 0.00 C ATOM 1477 OD1 ASP A 97 5.085 -3.957 2.804 1.00 0.00 O ATOM 1478 OD2 ASP A 97 4.658 -2.403 1.310 1.00 0.00 O ATOM 0 H ASP A 97 3.486 -3.972 -1.013 1.00 0.00 H new ATOM 0 HA ASP A 97 4.531 -5.788 0.756 1.00 0.00 H new ATOM 0 HB2 ASP A 97 2.494 -3.585 0.899 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.642 -4.640 2.291 1.00 0.00 H new ATOM 1483 N PHE A 98 1.272 -6.289 0.413 1.00 0.00 N ATOM 1484 CA PHE A 98 0.222 -7.292 0.554 1.00 0.00 C ATOM 1485 C PHE A 98 0.705 -8.656 0.072 1.00 0.00 C ATOM 1486 O PHE A 98 0.719 -9.627 0.830 1.00 0.00 O ATOM 1487 CB PHE A 98 -1.023 -6.872 -0.230 1.00 0.00 C ATOM 1488 CG PHE A 98 -2.136 -7.878 -0.170 1.00 0.00 C ATOM 1489 CD1 PHE A 98 -2.998 -7.914 0.915 1.00 0.00 C ATOM 1490 CD2 PHE A 98 -2.321 -8.789 -1.197 1.00 0.00 C ATOM 1491 CE1 PHE A 98 -4.024 -8.838 0.973 1.00 0.00 C ATOM 1492 CE2 PHE A 98 -3.345 -9.715 -1.145 1.00 0.00 C ATOM 1493 CZ PHE A 98 -4.197 -9.741 -0.057 1.00 0.00 C ATOM 0 H PHE A 98 0.944 -5.378 0.092 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.032 -7.369 1.611 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.383 -5.920 0.159 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.748 -6.708 -1.272 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.866 -7.212 1.725 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.657 -8.775 -2.049 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.690 -8.854 1.823 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.480 -10.418 -1.954 1.00 0.00 H new ATOM 0 HZ PHE A 98 -4.996 -10.466 -0.013 1.00 0.00 H new ATOM 1503 N LEU A 99 1.101 -8.723 -1.195 1.00 0.00 N ATOM 1504 CA LEU A 99 1.584 -9.968 -1.781 1.00 0.00 C ATOM 1505 C LEU A 99 2.599 -10.643 -0.864 1.00 0.00 C ATOM 1506 O LEU A 99 2.485 -11.832 -0.564 1.00 0.00 O ATOM 1507 CB LEU A 99 2.215 -9.700 -3.148 1.00 0.00 C ATOM 1508 CG LEU A 99 1.280 -9.137 -4.220 1.00 0.00 C ATOM 1509 CD1 LEU A 99 2.016 -8.981 -5.541 1.00 0.00 C ATOM 1510 CD2 LEU A 99 0.061 -10.033 -4.388 1.00 0.00 C ATOM 0 H LEU A 99 1.097 -7.929 -1.836 1.00 0.00 H new ATOM 0 HA LEU A 99 0.732 -10.637 -1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.042 -9.003 -3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.640 -10.633 -3.519 1.00 0.00 H new ATOM 0 HG LEU A 99 0.940 -8.152 -3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.335 -8.579 -6.292 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.856 -8.299 -5.411 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.385 -9.953 -5.869 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.593 -9.617 -5.154 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.381 -11.031 -4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.479 -10.093 -3.443 1.00 0.00 H new ATOM 1522 N ILE A 100 3.590 -9.877 -0.420 1.00 0.00 N ATOM 1523 CA ILE A 100 4.622 -10.400 0.465 1.00 0.00 C ATOM 1524 C ILE A 100 4.008 -11.135 1.652 1.00 0.00 C ATOM 1525 O ILE A 100 4.534 -12.152 2.104 1.00 0.00 O ATOM 1526 CB ILE A 100 5.537 -9.277 0.989 1.00 0.00 C ATOM 1527 CG1 ILE A 100 6.299 -8.629 -0.168 1.00 0.00 C ATOM 1528 CG2 ILE A 100 6.505 -9.824 2.028 1.00 0.00 C ATOM 1529 CD1 ILE A 100 7.471 -9.452 -0.656 1.00 0.00 C ATOM 0 H ILE A 100 3.699 -8.892 -0.659 1.00 0.00 H new ATOM 0 HA ILE A 100 5.217 -11.098 -0.123 1.00 0.00 H new ATOM 0 HB ILE A 100 4.918 -8.515 1.463 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.612 -8.463 -0.997 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.659 -7.650 0.148 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.145 -9.019 2.389 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.944 -10.243 2.863 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.121 -10.602 1.577 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.964 -8.932 -1.477 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.179 -9.596 0.160 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.115 -10.422 -1.003 1.00 0.00 H new ATOM 1541 N ARG A 101 2.892 -10.615 2.150 1.00 0.00 N ATOM 1542 CA ARG A 101 2.205 -11.222 3.284 1.00 0.00 C ATOM 1543 C ARG A 101 1.457 -12.481 2.856 1.00 0.00 C ATOM 1544 O ARG A 101 1.567 -13.527 3.495 1.00 0.00 O ATOM 1545 CB ARG A 101 1.228 -10.224 3.910 1.00 0.00 C ATOM 1546 CG ARG A 101 1.795 -8.821 4.045 1.00 0.00 C ATOM 1547 CD ARG A 101 2.980 -8.788 4.998 1.00 0.00 C ATOM 1548 NE ARG A 101 2.574 -9.009 6.383 1.00 0.00 N ATOM 1549 CZ ARG A 101 3.402 -8.906 7.417 1.00 0.00 C ATOM 1550 NH1 ARG A 101 4.674 -8.587 7.223 1.00 0.00 N ATOM 1551 NH2 ARG A 101 2.958 -9.123 8.648 1.00 0.00 N ATOM 0 H ARG A 101 2.444 -9.774 1.786 1.00 0.00 H new ATOM 0 HA ARG A 101 2.955 -11.499 4.025 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.323 -10.184 3.303 1.00 0.00 H new ATOM 0 HB3 ARG A 101 0.935 -10.585 4.896 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.104 -8.457 3.065 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.018 -8.147 4.405 1.00 0.00 H new ATOM 0 HD2 ARG A 101 3.702 -9.551 4.706 1.00 0.00 H new ATOM 0 HD3 ARG A 101 3.484 -7.825 4.917 1.00 0.00 H new ATOM 0 HE ARG A 101 1.602 -9.256 6.567 1.00 0.00 H new ATOM 0 HH11 ARG A 101 5.019 -8.420 6.278 1.00 0.00 H new ATOM 0 HH12 ARG A 101 5.307 -8.509 8.019 1.00 0.00 H new ATOM 0 HH21 ARG A 101 1.980 -9.369 8.801 1.00 0.00 H new ATOM 0 HH22 ARG A 101 3.594 -9.044 9.441 1.00 0.00 H new ATOM 1565 N GLU A 102 0.698 -12.372 1.770 1.00 0.00 N ATOM 1566 CA GLU A 102 -0.068 -13.502 1.258 1.00 0.00 C ATOM 1567 C GLU A 102 0.853 -14.660 0.885 1.00 0.00 C ATOM 1568 O GLU A 102 0.448 -15.822 0.906 1.00 0.00 O ATOM 1569 CB GLU A 102 -0.892 -13.079 0.040 1.00 0.00 C ATOM 1570 CG GLU A 102 -2.270 -12.544 0.394 1.00 0.00 C ATOM 1571 CD GLU A 102 -3.245 -13.643 0.767 1.00 0.00 C ATOM 1572 OE1 GLU A 102 -3.630 -14.424 -0.129 1.00 0.00 O ATOM 1573 OE2 GLU A 102 -3.623 -13.724 1.955 1.00 0.00 O ATOM 0 H GLU A 102 0.597 -11.514 1.228 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.743 -13.836 2.046 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.345 -12.314 -0.511 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.004 -13.934 -0.627 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.181 -11.845 1.225 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.667 -11.984 -0.453 1.00 0.00 H new ATOM 1580 N GLY A 103 2.095 -14.333 0.542 1.00 0.00 N ATOM 1581 CA GLY A 103 3.055 -15.355 0.168 1.00 0.00 C ATOM 1582 C GLY A 103 3.167 -15.523 -1.335 1.00 0.00 C ATOM 1583 O GLY A 103 3.444 -16.618 -1.825 1.00 0.00 O ATOM 0 H GLY A 103 2.454 -13.378 0.516 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.033 -15.097 0.576 1.00 0.00 H new ATOM 0 HA3 GLY A 103 2.763 -16.305 0.616 1.00 0.00 H new ATOM 1587 N TYR A 104 2.951 -14.437 -2.067 1.00 0.00 N ATOM 1588 CA TYR A 104 3.025 -14.469 -3.523 1.00 0.00 C ATOM 1589 C TYR A 104 4.431 -14.126 -4.005 1.00 0.00 C ATOM 1590 O TYR A 104 4.830 -14.502 -5.108 1.00 0.00 O ATOM 1591 CB TYR A 104 2.015 -13.493 -4.128 1.00 0.00 C ATOM 1592 CG TYR A 104 0.589 -13.997 -4.093 1.00 0.00 C ATOM 1593 CD1 TYR A 104 0.145 -14.948 -5.004 1.00 0.00 C ATOM 1594 CD2 TYR A 104 -0.313 -13.523 -3.149 1.00 0.00 C ATOM 1595 CE1 TYR A 104 -1.156 -15.411 -4.976 1.00 0.00 C ATOM 1596 CE2 TYR A 104 -1.615 -13.981 -3.112 1.00 0.00 C ATOM 1597 CZ TYR A 104 -2.032 -14.925 -4.028 1.00 0.00 C ATOM 1598 OH TYR A 104 -3.330 -15.383 -3.995 1.00 0.00 O ATOM 0 H TYR A 104 2.723 -13.523 -1.676 1.00 0.00 H new ATOM 0 HA TYR A 104 2.784 -15.480 -3.851 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.070 -12.547 -3.590 1.00 0.00 H new ATOM 0 HB3 TYR A 104 2.294 -13.289 -5.162 1.00 0.00 H new ATOM 0 HD1 TYR A 104 0.829 -15.332 -5.747 1.00 0.00 H new ATOM 0 HD2 TYR A 104 0.010 -12.783 -2.431 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -1.485 -16.149 -5.692 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -2.303 -13.603 -2.370 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.815 -14.941 -3.267 1.00 0.00 H new ATOM 1608 N ILE A 105 5.178 -13.412 -3.170 1.00 0.00 N ATOM 1609 CA ILE A 105 6.540 -13.019 -3.509 1.00 0.00 C ATOM 1610 C ILE A 105 7.421 -12.964 -2.265 1.00 0.00 C ATOM 1611 O ILE A 105 6.959 -13.211 -1.151 1.00 0.00 O ATOM 1612 CB ILE A 105 6.573 -11.648 -4.210 1.00 0.00 C ATOM 1613 CG1 ILE A 105 5.572 -10.693 -3.556 1.00 0.00 C ATOM 1614 CG2 ILE A 105 6.274 -11.804 -5.693 1.00 0.00 C ATOM 1615 CD1 ILE A 105 5.617 -9.291 -4.123 1.00 0.00 C ATOM 0 H ILE A 105 4.863 -13.094 -2.254 1.00 0.00 H new ATOM 0 HA ILE A 105 6.926 -13.775 -4.192 1.00 0.00 H new ATOM 0 HB ILE A 105 7.572 -11.226 -4.104 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.566 -11.094 -3.679 1.00 0.00 H new ATOM 0 HG13 ILE A 105 5.770 -10.650 -2.485 1.00 0.00 H new ATOM 0 HG21 ILE A 105 6.301 -10.826 -6.174 1.00 0.00 H new ATOM 0 HG22 ILE A 105 7.021 -12.454 -6.149 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.285 -12.244 -5.820 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.882 -8.669 -3.613 1.00 0.00 H new ATOM 0 HD12 ILE A 105 6.612 -8.871 -3.976 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.390 -9.322 -5.189 1.00 0.00 H new ATOM 1627 N THR A 106 8.694 -12.635 -2.463 1.00 0.00 N ATOM 1628 CA THR A 106 9.641 -12.546 -1.359 1.00 0.00 C ATOM 1629 C THR A 106 10.226 -11.143 -1.248 1.00 0.00 C ATOM 1630 O THR A 106 10.181 -10.363 -2.200 1.00 0.00 O ATOM 1631 CB THR A 106 10.791 -13.558 -1.522 1.00 0.00 C ATOM 1632 OG1 THR A 106 10.301 -14.765 -2.116 1.00 0.00 O ATOM 1633 CG2 THR A 106 11.430 -13.872 -0.177 1.00 0.00 C ATOM 0 H THR A 106 9.093 -12.426 -3.378 1.00 0.00 H new ATOM 0 HA THR A 106 9.088 -12.779 -0.449 1.00 0.00 H new ATOM 0 HB THR A 106 11.546 -13.115 -2.171 1.00 0.00 H new ATOM 0 HG1 THR A 106 11.038 -15.402 -2.218 1.00 0.00 H new ATOM 0 HG21 THR A 106 12.239 -14.589 -0.317 1.00 0.00 H new ATOM 0 HG22 THR A 106 11.828 -12.956 0.259 1.00 0.00 H new ATOM 0 HG23 THR A 106 10.681 -14.297 0.491 1.00 0.00 H new ATOM 1641 N LYS A 107 10.775 -10.826 -0.080 1.00 0.00 N ATOM 1642 CA LYS A 107 11.372 -9.517 0.155 1.00 0.00 C ATOM 1643 C LYS A 107 12.797 -9.463 -0.385 1.00 0.00 C ATOM 1644 O LYS A 107 13.644 -10.273 -0.009 1.00 0.00 O ATOM 1645 CB LYS A 107 11.369 -9.194 1.651 1.00 0.00 C ATOM 1646 CG LYS A 107 11.269 -7.709 1.953 1.00 0.00 C ATOM 1647 CD LYS A 107 9.822 -7.263 2.082 1.00 0.00 C ATOM 1648 CE LYS A 107 9.714 -5.751 2.202 1.00 0.00 C ATOM 1649 NZ LYS A 107 9.896 -5.292 3.607 1.00 0.00 N ATOM 0 H LYS A 107 10.819 -11.459 0.719 1.00 0.00 H new ATOM 0 HA LYS A 107 10.775 -8.773 -0.373 1.00 0.00 H new ATOM 0 HB2 LYS A 107 10.533 -9.709 2.124 1.00 0.00 H new ATOM 0 HB3 LYS A 107 12.281 -9.587 2.101 1.00 0.00 H new ATOM 0 HG2 LYS A 107 11.803 -7.488 2.877 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.756 -7.142 1.160 1.00 0.00 H new ATOM 0 HD2 LYS A 107 9.257 -7.601 1.214 1.00 0.00 H new ATOM 0 HD3 LYS A 107 9.372 -7.732 2.957 1.00 0.00 H new ATOM 0 HE2 LYS A 107 10.465 -5.282 1.566 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.740 -5.426 1.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 9.815 -4.256 3.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.164 -5.720 4.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.836 -5.579 3.947 1.00 0.00 H new ATOM 1663 N ALA A 108 13.055 -8.503 -1.266 1.00 0.00 N ATOM 1664 CA ALA A 108 14.379 -8.341 -1.854 1.00 0.00 C ATOM 1665 C ALA A 108 15.275 -7.485 -0.965 1.00 0.00 C ATOM 1666 O ALA A 108 16.452 -7.283 -1.265 1.00 0.00 O ATOM 1667 CB ALA A 108 14.269 -7.728 -3.242 1.00 0.00 C ATOM 0 H ALA A 108 12.364 -7.825 -1.589 1.00 0.00 H new ATOM 0 HA ALA A 108 14.834 -9.328 -1.940 1.00 0.00 H new ATOM 0 HB1 ALA A 108 15.265 -7.613 -3.669 1.00 0.00 H new ATOM 0 HB2 ALA A 108 13.673 -8.380 -3.881 1.00 0.00 H new ATOM 0 HB3 ALA A 108 13.789 -6.752 -3.172 1.00 0.00 H new TER 1673 ALA A 108