USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 766 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 82 SER OG : rot 170:sc= -0.132 USER MOD Set 1.2: A 89 HIS : no HE2:sc= -1.46 K(o=-1.6,f=-2.6!) USER MOD Set 2.1: A 40 SER OG : rot -21:sc= 0.0872 USER MOD Set 2.2: A 67 HIS :FLIP no HE2:sc= -2.25 F(o=-6.1!,f=-2.2) USER MOD Set 3.1: A 49 SER OG : rot 125:sc= 0.93 USER MOD Set 3.2: A 51 SER OG : rot 180:sc= 0.923 USER MOD Set 4.1: A 32 ASN : amide:sc= 1.01 K(o=2.2,f=-4.5!) USER MOD Set 4.2: A 68 CYS SG : rot 101:sc= 1.21 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 25:sc= 0.0332 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 44:sc= 0.664 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -11:sc= 0.89 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.718 USER MOD Single : A 27 SER OG : rot 16:sc= 0.204 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 157:sc= -0.703 (180deg=-1.49) USER MOD Single : A 39 ASN : amide:sc= 0.129 K(o=0.13,f=-6.4!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -108:sc= -7.63! (180deg=-10.4!) USER MOD Single : A 44 SER OG : rot 39:sc= 0.387 USER MOD Single : A 46 HIS : no HD1:sc= -3.24! C(o=-3.2!,f=-4!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 66 SER OG : rot 62:sc= 1.17 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -12.4! C(o=-12!,f=-14!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.14 K(o=-0.14,f=-2.1!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -89:sc= -0.819 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.238 -3.305 -37.912 1.00 0.00 N ATOM 2 CA GLY A 1 25.672 -2.684 -36.729 1.00 0.00 C ATOM 3 C GLY A 1 24.608 -3.544 -36.075 1.00 0.00 C ATOM 4 O GLY A 1 23.743 -4.097 -36.754 1.00 0.00 O ATOM 0 H1 GLY A 1 26.960 -2.678 -38.322 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.675 -4.212 -37.652 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.486 -3.470 -38.611 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.467 -2.486 -36.010 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.240 -1.720 -37.000 1.00 0.00 H new ATOM 8 N SER A 2 24.673 -3.658 -34.752 1.00 0.00 N ATOM 9 CA SER A 2 23.711 -4.461 -34.006 1.00 0.00 C ATOM 10 C SER A 2 22.448 -3.659 -33.708 1.00 0.00 C ATOM 11 O SER A 2 22.409 -2.445 -33.909 1.00 0.00 O ATOM 12 CB SER A 2 24.334 -4.958 -32.700 1.00 0.00 C ATOM 13 OG SER A 2 23.579 -6.023 -32.148 1.00 0.00 O ATOM 0 H SER A 2 25.381 -3.205 -34.175 1.00 0.00 H new ATOM 0 HA SER A 2 23.438 -5.319 -34.620 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.356 -5.290 -32.884 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.389 -4.138 -31.984 1.00 0.00 H new ATOM 0 HG SER A 2 23.999 -6.324 -31.315 1.00 0.00 H new ATOM 19 N SER A 3 21.417 -4.346 -33.227 1.00 0.00 N ATOM 20 CA SER A 3 20.151 -3.699 -32.904 1.00 0.00 C ATOM 21 C SER A 3 19.899 -3.719 -31.400 1.00 0.00 C ATOM 22 O SER A 3 19.639 -2.683 -30.789 1.00 0.00 O ATOM 23 CB SER A 3 18.999 -4.392 -33.635 1.00 0.00 C ATOM 24 OG SER A 3 17.745 -3.933 -33.161 1.00 0.00 O ATOM 0 H SER A 3 21.434 -5.351 -33.052 1.00 0.00 H new ATOM 0 HA SER A 3 20.208 -2.661 -33.231 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.078 -4.204 -34.706 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.072 -5.471 -33.495 1.00 0.00 H new ATOM 0 HG SER A 3 17.025 -4.390 -33.645 1.00 0.00 H new ATOM 30 N GLY A 4 19.979 -4.907 -30.808 1.00 0.00 N ATOM 31 CA GLY A 4 19.757 -5.041 -29.380 1.00 0.00 C ATOM 32 C GLY A 4 20.433 -6.268 -28.801 1.00 0.00 C ATOM 33 O GLY A 4 20.863 -7.155 -29.539 1.00 0.00 O ATOM 0 H GLY A 4 20.194 -5.779 -31.292 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.129 -4.151 -28.872 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.686 -5.094 -29.185 1.00 0.00 H new ATOM 37 N SER A 5 20.529 -6.319 -27.476 1.00 0.00 N ATOM 38 CA SER A 5 21.162 -7.444 -26.799 1.00 0.00 C ATOM 39 C SER A 5 20.461 -7.748 -25.478 1.00 0.00 C ATOM 40 O SER A 5 19.647 -6.958 -24.999 1.00 0.00 O ATOM 41 CB SER A 5 22.642 -7.148 -26.547 1.00 0.00 C ATOM 42 OG SER A 5 23.432 -7.508 -27.667 1.00 0.00 O ATOM 0 H SER A 5 20.176 -5.594 -26.851 1.00 0.00 H new ATOM 0 HA SER A 5 21.078 -8.318 -27.445 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.772 -6.087 -26.332 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.981 -7.696 -25.668 1.00 0.00 H new ATOM 0 HG SER A 5 22.879 -7.494 -28.476 1.00 0.00 H new ATOM 48 N SER A 6 20.783 -8.898 -24.895 1.00 0.00 N ATOM 49 CA SER A 6 20.182 -9.309 -23.631 1.00 0.00 C ATOM 50 C SER A 6 21.178 -9.166 -22.484 1.00 0.00 C ATOM 51 O SER A 6 22.367 -9.438 -22.642 1.00 0.00 O ATOM 52 CB SER A 6 19.695 -10.756 -23.721 1.00 0.00 C ATOM 53 OG SER A 6 18.755 -11.042 -22.700 1.00 0.00 O ATOM 0 H SER A 6 21.456 -9.562 -25.277 1.00 0.00 H new ATOM 0 HA SER A 6 19.331 -8.658 -23.433 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.241 -10.930 -24.697 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.544 -11.435 -23.639 1.00 0.00 H new ATOM 0 HG SER A 6 18.458 -11.972 -22.780 1.00 0.00 H new ATOM 59 N GLY A 7 20.682 -8.735 -21.328 1.00 0.00 N ATOM 60 CA GLY A 7 21.540 -8.562 -20.171 1.00 0.00 C ATOM 61 C GLY A 7 20.828 -8.876 -18.870 1.00 0.00 C ATOM 62 O GLY A 7 19.687 -8.463 -18.664 1.00 0.00 O ATOM 0 H GLY A 7 19.701 -8.503 -21.173 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.412 -9.208 -20.269 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.905 -7.535 -20.143 1.00 0.00 H new ATOM 66 N ARG A 8 21.503 -9.609 -17.990 1.00 0.00 N ATOM 67 CA ARG A 8 20.927 -9.980 -16.703 1.00 0.00 C ATOM 68 C ARG A 8 21.527 -9.143 -15.577 1.00 0.00 C ATOM 69 O ARG A 8 22.522 -9.530 -14.964 1.00 0.00 O ATOM 70 CB ARG A 8 21.158 -11.466 -16.426 1.00 0.00 C ATOM 71 CG ARG A 8 20.061 -12.365 -16.974 1.00 0.00 C ATOM 72 CD ARG A 8 20.361 -12.804 -18.399 1.00 0.00 C ATOM 73 NE ARG A 8 21.215 -13.988 -18.439 1.00 0.00 N ATOM 74 CZ ARG A 8 20.768 -15.224 -18.247 1.00 0.00 C ATOM 75 NH1 ARG A 8 19.483 -15.438 -18.005 1.00 0.00 N ATOM 76 NH2 ARG A 8 21.608 -16.250 -18.299 1.00 0.00 N ATOM 0 H ARG A 8 22.449 -9.957 -18.145 1.00 0.00 H new ATOM 0 HA ARG A 8 19.855 -9.787 -16.744 1.00 0.00 H new ATOM 0 HB2 ARG A 8 22.112 -11.764 -16.861 1.00 0.00 H new ATOM 0 HB3 ARG A 8 21.237 -11.618 -15.350 1.00 0.00 H new ATOM 0 HG2 ARG A 8 19.956 -13.243 -16.336 1.00 0.00 H new ATOM 0 HG3 ARG A 8 19.108 -11.836 -16.948 1.00 0.00 H new ATOM 0 HD2 ARG A 8 19.426 -13.014 -18.918 1.00 0.00 H new ATOM 0 HD3 ARG A 8 20.847 -11.988 -18.935 1.00 0.00 H new ATOM 0 HE ARG A 8 22.210 -13.859 -18.625 1.00 0.00 H new ATOM 0 HH11 ARG A 8 18.834 -14.652 -17.966 1.00 0.00 H new ATOM 0 HH12 ARG A 8 19.143 -16.388 -17.858 1.00 0.00 H new ATOM 0 HH21 ARG A 8 22.598 -16.090 -18.486 1.00 0.00 H new ATOM 0 HH22 ARG A 8 21.264 -17.199 -18.151 1.00 0.00 H new ATOM 90 N VAL A 9 20.915 -7.993 -15.311 1.00 0.00 N ATOM 91 CA VAL A 9 21.388 -7.101 -14.259 1.00 0.00 C ATOM 92 C VAL A 9 20.440 -7.108 -13.065 1.00 0.00 C ATOM 93 O VAL A 9 19.253 -7.404 -13.202 1.00 0.00 O ATOM 94 CB VAL A 9 21.537 -5.657 -14.772 1.00 0.00 C ATOM 95 CG1 VAL A 9 20.186 -5.093 -15.183 1.00 0.00 C ATOM 96 CG2 VAL A 9 22.191 -4.780 -13.714 1.00 0.00 C ATOM 0 H VAL A 9 20.091 -7.657 -15.810 1.00 0.00 H new ATOM 0 HA VAL A 9 22.365 -7.471 -13.947 1.00 0.00 H new ATOM 0 HB VAL A 9 22.181 -5.668 -15.651 1.00 0.00 H new ATOM 0 HG11 VAL A 9 20.312 -4.072 -15.543 1.00 0.00 H new ATOM 0 HG12 VAL A 9 19.761 -5.707 -15.977 1.00 0.00 H new ATOM 0 HG13 VAL A 9 19.515 -5.095 -14.324 1.00 0.00 H new ATOM 0 HG21 VAL A 9 22.288 -3.763 -14.094 1.00 0.00 H new ATOM 0 HG22 VAL A 9 21.575 -4.774 -12.815 1.00 0.00 H new ATOM 0 HG23 VAL A 9 23.179 -5.174 -13.475 1.00 0.00 H new ATOM 106 N LYS A 10 20.972 -6.781 -11.892 1.00 0.00 N ATOM 107 CA LYS A 10 20.174 -6.747 -10.672 1.00 0.00 C ATOM 108 C LYS A 10 20.568 -5.562 -9.796 1.00 0.00 C ATOM 109 O LYS A 10 21.747 -5.358 -9.507 1.00 0.00 O ATOM 110 CB LYS A 10 20.345 -8.052 -9.891 1.00 0.00 C ATOM 111 CG LYS A 10 21.774 -8.312 -9.447 1.00 0.00 C ATOM 112 CD LYS A 10 21.935 -9.712 -8.878 1.00 0.00 C ATOM 113 CE LYS A 10 22.224 -10.729 -9.972 1.00 0.00 C ATOM 114 NZ LYS A 10 22.859 -11.961 -9.429 1.00 0.00 N ATOM 0 H LYS A 10 21.953 -6.536 -11.760 1.00 0.00 H new ATOM 0 HA LYS A 10 19.127 -6.634 -10.955 1.00 0.00 H new ATOM 0 HB2 LYS A 10 19.699 -8.028 -9.013 1.00 0.00 H new ATOM 0 HB3 LYS A 10 20.009 -8.883 -10.511 1.00 0.00 H new ATOM 0 HG2 LYS A 10 22.448 -8.183 -10.294 1.00 0.00 H new ATOM 0 HG3 LYS A 10 22.062 -7.577 -8.695 1.00 0.00 H new ATOM 0 HD2 LYS A 10 22.746 -9.719 -8.150 1.00 0.00 H new ATOM 0 HD3 LYS A 10 21.027 -9.996 -8.346 1.00 0.00 H new ATOM 0 HE2 LYS A 10 21.295 -10.992 -10.478 1.00 0.00 H new ATOM 0 HE3 LYS A 10 22.879 -10.282 -10.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 23.040 -12.629 -10.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 23.758 -11.714 -8.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 22.223 -12.402 -8.734 1.00 0.00 H new ATOM 128 N GLU A 11 19.574 -4.786 -9.377 1.00 0.00 N ATOM 129 CA GLU A 11 19.819 -3.622 -8.533 1.00 0.00 C ATOM 130 C GLU A 11 19.510 -3.934 -7.072 1.00 0.00 C ATOM 131 O GLU A 11 18.749 -4.853 -6.770 1.00 0.00 O ATOM 132 CB GLU A 11 18.973 -2.437 -9.003 1.00 0.00 C ATOM 133 CG GLU A 11 17.477 -2.671 -8.881 1.00 0.00 C ATOM 134 CD GLU A 11 16.664 -1.695 -9.710 1.00 0.00 C ATOM 135 OE1 GLU A 11 17.012 -1.487 -10.891 1.00 0.00 O ATOM 136 OE2 GLU A 11 15.681 -1.139 -9.177 1.00 0.00 O ATOM 0 H GLU A 11 18.593 -4.942 -9.608 1.00 0.00 H new ATOM 0 HA GLU A 11 20.874 -3.361 -8.615 1.00 0.00 H new ATOM 0 HB2 GLU A 11 19.243 -1.555 -8.422 1.00 0.00 H new ATOM 0 HB3 GLU A 11 19.214 -2.219 -10.043 1.00 0.00 H new ATOM 0 HG2 GLU A 11 17.246 -3.689 -9.195 1.00 0.00 H new ATOM 0 HG3 GLU A 11 17.184 -2.585 -7.835 1.00 0.00 H new ATOM 143 N SER A 12 20.107 -3.163 -6.169 1.00 0.00 N ATOM 144 CA SER A 12 19.900 -3.359 -4.739 1.00 0.00 C ATOM 145 C SER A 12 18.959 -2.298 -4.176 1.00 0.00 C ATOM 146 O SER A 12 19.388 -1.201 -3.817 1.00 0.00 O ATOM 147 CB SER A 12 21.238 -3.316 -3.998 1.00 0.00 C ATOM 148 OG SER A 12 21.922 -2.101 -4.250 1.00 0.00 O ATOM 0 H SER A 12 20.738 -2.396 -6.402 1.00 0.00 H new ATOM 0 HA SER A 12 19.444 -4.338 -4.594 1.00 0.00 H new ATOM 0 HB2 SER A 12 21.068 -3.426 -2.927 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.857 -4.157 -4.310 1.00 0.00 H new ATOM 0 HG SER A 12 21.292 -1.353 -4.193 1.00 0.00 H new ATOM 154 N ILE A 13 17.676 -2.634 -4.102 1.00 0.00 N ATOM 155 CA ILE A 13 16.674 -1.712 -3.581 1.00 0.00 C ATOM 156 C ILE A 13 15.785 -2.393 -2.546 1.00 0.00 C ATOM 157 O ILE A 13 15.464 -3.575 -2.668 1.00 0.00 O ATOM 158 CB ILE A 13 15.790 -1.146 -4.709 1.00 0.00 C ATOM 159 CG1 ILE A 13 15.084 -2.283 -5.451 1.00 0.00 C ATOM 160 CG2 ILE A 13 16.626 -0.317 -5.672 1.00 0.00 C ATOM 161 CD1 ILE A 13 13.905 -1.822 -6.280 1.00 0.00 C ATOM 0 H ILE A 13 17.306 -3.538 -4.396 1.00 0.00 H new ATOM 0 HA ILE A 13 17.215 -0.892 -3.108 1.00 0.00 H new ATOM 0 HB ILE A 13 15.032 -0.499 -4.267 1.00 0.00 H new ATOM 0 HG12 ILE A 13 15.802 -2.783 -6.101 1.00 0.00 H new ATOM 0 HG13 ILE A 13 14.742 -3.022 -4.726 1.00 0.00 H new ATOM 0 HG21 ILE A 13 15.987 0.076 -6.463 1.00 0.00 H new ATOM 0 HG22 ILE A 13 17.087 0.511 -5.134 1.00 0.00 H new ATOM 0 HG23 ILE A 13 17.403 -0.943 -6.111 1.00 0.00 H new ATOM 0 HD11 ILE A 13 13.453 -2.680 -6.778 1.00 0.00 H new ATOM 0 HD12 ILE A 13 13.168 -1.348 -5.632 1.00 0.00 H new ATOM 0 HD13 ILE A 13 14.244 -1.106 -7.028 1.00 0.00 H new ATOM 173 N THR A 14 15.388 -1.637 -1.527 1.00 0.00 N ATOM 174 CA THR A 14 14.535 -2.167 -0.470 1.00 0.00 C ATOM 175 C THR A 14 13.117 -2.405 -0.976 1.00 0.00 C ATOM 176 O THR A 14 12.366 -1.459 -1.217 1.00 0.00 O ATOM 177 CB THR A 14 14.483 -1.215 0.739 1.00 0.00 C ATOM 178 OG1 THR A 14 13.845 -1.863 1.845 1.00 0.00 O ATOM 179 CG2 THR A 14 13.733 0.062 0.392 1.00 0.00 C ATOM 0 H THR A 14 15.643 -0.656 -1.411 1.00 0.00 H new ATOM 0 HA THR A 14 14.971 -3.116 -0.158 1.00 0.00 H new ATOM 0 HB THR A 14 15.506 -0.954 1.011 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.817 -1.252 2.611 1.00 0.00 H new ATOM 0 HG21 THR A 14 13.710 0.718 1.262 1.00 0.00 H new ATOM 0 HG22 THR A 14 14.238 0.568 -0.431 1.00 0.00 H new ATOM 0 HG23 THR A 14 12.713 -0.184 0.096 1.00 0.00 H new ATOM 187 N ARG A 15 12.755 -3.674 -1.135 1.00 0.00 N ATOM 188 CA ARG A 15 11.426 -4.036 -1.612 1.00 0.00 C ATOM 189 C ARG A 15 11.130 -5.507 -1.334 1.00 0.00 C ATOM 190 O ARG A 15 11.794 -6.397 -1.865 1.00 0.00 O ATOM 191 CB ARG A 15 11.306 -3.756 -3.112 1.00 0.00 C ATOM 192 CG ARG A 15 9.871 -3.716 -3.611 1.00 0.00 C ATOM 193 CD ARG A 15 9.287 -2.316 -3.515 1.00 0.00 C ATOM 194 NE ARG A 15 7.974 -2.226 -4.148 1.00 0.00 N ATOM 195 CZ ARG A 15 7.186 -1.160 -4.059 1.00 0.00 C ATOM 196 NH1 ARG A 15 7.577 -0.099 -3.366 1.00 0.00 N ATOM 197 NH2 ARG A 15 6.005 -1.154 -4.663 1.00 0.00 N ATOM 0 H ARG A 15 13.364 -4.469 -0.940 1.00 0.00 H new ATOM 0 HA ARG A 15 10.697 -3.429 -1.075 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.786 -2.803 -3.335 1.00 0.00 H new ATOM 0 HB3 ARG A 15 11.851 -4.524 -3.661 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.835 -4.056 -4.646 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.262 -4.406 -3.027 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.204 -2.029 -2.467 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.967 -1.607 -3.987 1.00 0.00 H new ATOM 0 HE ARG A 15 7.644 -3.026 -4.688 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.484 -0.100 -2.900 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.970 0.718 -3.299 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.701 -1.968 -5.197 1.00 0.00 H new ATOM 0 HH22 ARG A 15 5.401 -0.335 -4.594 1.00 0.00 H new ATOM 211 N THR A 16 10.129 -5.755 -0.495 1.00 0.00 N ATOM 212 CA THR A 16 9.746 -7.116 -0.144 1.00 0.00 C ATOM 213 C THR A 16 9.855 -8.046 -1.347 1.00 0.00 C ATOM 214 O THR A 16 10.286 -9.192 -1.221 1.00 0.00 O ATOM 215 CB THR A 16 8.307 -7.172 0.404 1.00 0.00 C ATOM 216 OG1 THR A 16 8.199 -6.360 1.579 1.00 0.00 O ATOM 217 CG2 THR A 16 7.907 -8.602 0.731 1.00 0.00 C ATOM 0 H THR A 16 9.569 -5.030 -0.046 1.00 0.00 H new ATOM 0 HA THR A 16 10.436 -7.447 0.632 1.00 0.00 H new ATOM 0 HB THR A 16 7.634 -6.791 -0.364 1.00 0.00 H new ATOM 0 HG1 THR A 16 7.281 -6.399 1.921 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.887 -8.616 1.116 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.962 -9.211 -0.172 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.584 -9.006 1.483 1.00 0.00 H new ATOM 225 N SER A 17 9.462 -7.545 -2.514 1.00 0.00 N ATOM 226 CA SER A 17 9.513 -8.333 -3.740 1.00 0.00 C ATOM 227 C SER A 17 9.418 -7.432 -4.968 1.00 0.00 C ATOM 228 O SER A 17 8.915 -6.311 -4.892 1.00 0.00 O ATOM 229 CB SER A 17 8.381 -9.361 -3.758 1.00 0.00 C ATOM 230 OG SER A 17 8.523 -10.294 -2.701 1.00 0.00 O ATOM 0 H SER A 17 9.105 -6.597 -2.636 1.00 0.00 H new ATOM 0 HA SER A 17 10.469 -8.856 -3.768 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.421 -8.851 -3.671 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.378 -9.886 -4.713 1.00 0.00 H new ATOM 0 HG SER A 17 9.406 -10.189 -2.289 1.00 0.00 H new ATOM 236 N ARG A 18 9.905 -7.932 -6.099 1.00 0.00 N ATOM 237 CA ARG A 18 9.876 -7.174 -7.344 1.00 0.00 C ATOM 238 C ARG A 18 8.928 -7.818 -8.352 1.00 0.00 C ATOM 239 O ARG A 18 9.166 -8.931 -8.819 1.00 0.00 O ATOM 240 CB ARG A 18 11.281 -7.077 -7.940 1.00 0.00 C ATOM 241 CG ARG A 18 12.109 -5.938 -7.367 1.00 0.00 C ATOM 242 CD ARG A 18 12.751 -6.326 -6.045 1.00 0.00 C ATOM 243 NE ARG A 18 13.846 -7.275 -6.226 1.00 0.00 N ATOM 244 CZ ARG A 18 14.326 -8.039 -5.251 1.00 0.00 C ATOM 245 NH1 ARG A 18 13.810 -7.966 -4.032 1.00 0.00 N ATOM 246 NH2 ARG A 18 15.324 -8.879 -5.495 1.00 0.00 N ATOM 0 H ARG A 18 10.324 -8.858 -6.179 1.00 0.00 H new ATOM 0 HA ARG A 18 9.513 -6.171 -7.120 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.805 -8.017 -7.769 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.200 -6.949 -9.019 1.00 0.00 H new ATOM 0 HG2 ARG A 18 12.884 -5.656 -8.080 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.475 -5.063 -7.222 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.125 -5.431 -5.547 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.997 -6.763 -5.390 1.00 0.00 H new ATOM 0 HE ARG A 18 14.265 -7.356 -7.152 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.042 -7.322 -3.841 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.181 -8.554 -3.285 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.723 -8.938 -6.432 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.692 -9.465 -4.746 1.00 0.00 H new ATOM 260 N ALA A 19 7.852 -7.110 -8.681 1.00 0.00 N ATOM 261 CA ALA A 19 6.870 -7.612 -9.633 1.00 0.00 C ATOM 262 C ALA A 19 5.848 -6.537 -9.986 1.00 0.00 C ATOM 263 O ALA A 19 5.455 -5.722 -9.150 1.00 0.00 O ATOM 264 CB ALA A 19 6.173 -8.843 -9.073 1.00 0.00 C ATOM 0 H ALA A 19 7.639 -6.187 -8.302 1.00 0.00 H new ATOM 0 HA ALA A 19 7.395 -7.890 -10.547 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.442 -9.207 -9.795 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.910 -9.622 -8.879 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.666 -8.583 -8.144 1.00 0.00 H new ATOM 270 N PRO A 20 5.405 -6.533 -11.252 1.00 0.00 N ATOM 271 CA PRO A 20 4.422 -5.562 -11.743 1.00 0.00 C ATOM 272 C PRO A 20 3.034 -5.794 -11.155 1.00 0.00 C ATOM 273 O PRO A 20 2.782 -6.817 -10.519 1.00 0.00 O ATOM 274 CB PRO A 20 4.410 -5.804 -13.254 1.00 0.00 C ATOM 275 CG PRO A 20 4.853 -7.217 -13.415 1.00 0.00 C ATOM 276 CD PRO A 20 5.829 -7.475 -12.301 1.00 0.00 C ATOM 0 HA PRO A 20 4.682 -4.541 -11.463 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.415 -5.651 -13.671 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.081 -5.117 -13.770 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.006 -7.900 -13.358 1.00 0.00 H new ATOM 0 HG3 PRO A 20 5.321 -7.371 -14.387 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.782 -8.508 -11.957 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.856 -7.290 -12.616 1.00 0.00 H new ATOM 284 N SER A 21 2.137 -4.838 -11.373 1.00 0.00 N ATOM 285 CA SER A 21 0.775 -4.936 -10.861 1.00 0.00 C ATOM 286 C SER A 21 -0.204 -4.210 -11.779 1.00 0.00 C ATOM 287 O SER A 21 0.193 -3.604 -12.774 1.00 0.00 O ATOM 288 CB SER A 21 0.695 -4.355 -9.449 1.00 0.00 C ATOM 289 OG SER A 21 -0.386 -4.919 -8.726 1.00 0.00 O ATOM 0 H SER A 21 2.329 -3.987 -11.901 1.00 0.00 H new ATOM 0 HA SER A 21 0.501 -5.990 -10.828 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.629 -4.546 -8.920 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.575 -3.273 -9.504 1.00 0.00 H new ATOM 0 HG SER A 21 -0.415 -4.532 -7.826 1.00 0.00 H new ATOM 295 N VAL A 22 -1.487 -4.277 -11.437 1.00 0.00 N ATOM 296 CA VAL A 22 -2.524 -3.626 -12.228 1.00 0.00 C ATOM 297 C VAL A 22 -3.564 -2.963 -11.332 1.00 0.00 C ATOM 298 O VAL A 22 -4.281 -3.637 -10.592 1.00 0.00 O ATOM 299 CB VAL A 22 -3.230 -4.627 -13.161 1.00 0.00 C ATOM 300 CG1 VAL A 22 -4.286 -3.923 -13.999 1.00 0.00 C ATOM 301 CG2 VAL A 22 -2.216 -5.333 -14.049 1.00 0.00 C ATOM 0 H VAL A 22 -1.833 -4.776 -10.617 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.030 -2.865 -12.831 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.729 -5.378 -12.549 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.774 -4.646 -14.652 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.028 -3.468 -13.342 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.814 -3.149 -14.604 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.732 -6.037 -14.702 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.688 -4.597 -14.655 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.501 -5.872 -13.427 1.00 0.00 H new ATOM 311 N ALA A 23 -3.641 -1.638 -11.403 1.00 0.00 N ATOM 312 CA ALA A 23 -4.595 -0.884 -10.600 1.00 0.00 C ATOM 313 C ALA A 23 -5.707 -0.306 -11.469 1.00 0.00 C ATOM 314 O ALA A 23 -5.449 0.271 -12.526 1.00 0.00 O ATOM 315 CB ALA A 23 -3.884 0.227 -9.841 1.00 0.00 C ATOM 0 H ALA A 23 -3.054 -1.065 -12.009 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.048 -1.567 -9.882 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.609 0.782 -9.245 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.130 -0.206 -9.184 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.404 0.902 -10.549 1.00 0.00 H new ATOM 321 N THR A 24 -6.948 -0.464 -11.017 1.00 0.00 N ATOM 322 CA THR A 24 -8.100 0.040 -11.754 1.00 0.00 C ATOM 323 C THR A 24 -9.071 0.762 -10.827 1.00 0.00 C ATOM 324 O THR A 24 -8.947 0.693 -9.605 1.00 0.00 O ATOM 325 CB THR A 24 -8.846 -1.097 -12.476 1.00 0.00 C ATOM 326 OG1 THR A 24 -10.229 -0.756 -12.629 1.00 0.00 O ATOM 327 CG2 THR A 24 -8.722 -2.402 -11.704 1.00 0.00 C ATOM 0 H THR A 24 -7.180 -0.937 -10.144 1.00 0.00 H new ATOM 0 HA THR A 24 -7.719 0.742 -12.496 1.00 0.00 H new ATOM 0 HB THR A 24 -8.395 -1.231 -13.459 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.696 -1.483 -13.090 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.257 -3.190 -12.234 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.670 -2.674 -11.615 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.150 -2.278 -10.709 1.00 0.00 H new ATOM 335 N VAL A 25 -10.040 1.455 -11.418 1.00 0.00 N ATOM 336 CA VAL A 25 -11.035 2.189 -10.645 1.00 0.00 C ATOM 337 C VAL A 25 -12.417 1.560 -10.789 1.00 0.00 C ATOM 338 O VAL A 25 -12.760 1.025 -11.842 1.00 0.00 O ATOM 339 CB VAL A 25 -11.107 3.665 -11.080 1.00 0.00 C ATOM 340 CG1 VAL A 25 -11.471 3.770 -12.553 1.00 0.00 C ATOM 341 CG2 VAL A 25 -12.105 4.425 -10.220 1.00 0.00 C ATOM 0 H VAL A 25 -10.157 1.523 -12.429 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.724 2.140 -9.602 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.124 4.116 -10.940 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.517 4.820 -12.842 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.715 3.262 -13.152 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.442 3.304 -12.722 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.143 5.466 -10.541 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -13.093 3.976 -10.326 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.795 4.378 -9.176 1.00 0.00 H new ATOM 351 N GLY A 26 -13.207 1.629 -9.722 1.00 0.00 N ATOM 352 CA GLY A 26 -14.543 1.063 -9.750 1.00 0.00 C ATOM 353 C GLY A 26 -14.530 -0.445 -9.906 1.00 0.00 C ATOM 354 O GLY A 26 -15.456 -1.024 -10.474 1.00 0.00 O ATOM 0 H GLY A 26 -12.946 2.067 -8.839 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.065 1.326 -8.830 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.105 1.506 -10.573 1.00 0.00 H new ATOM 358 N SER A 27 -13.478 -1.082 -9.403 1.00 0.00 N ATOM 359 CA SER A 27 -13.346 -2.531 -9.494 1.00 0.00 C ATOM 360 C SER A 27 -12.591 -3.085 -8.289 1.00 0.00 C ATOM 361 O SER A 27 -11.658 -2.458 -7.786 1.00 0.00 O ATOM 362 CB SER A 27 -12.622 -2.918 -10.785 1.00 0.00 C ATOM 363 OG SER A 27 -13.504 -2.885 -11.894 1.00 0.00 O ATOM 0 H SER A 27 -12.704 -0.617 -8.928 1.00 0.00 H new ATOM 0 HA SER A 27 -14.347 -2.962 -9.503 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.790 -2.235 -10.958 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.199 -3.917 -10.683 1.00 0.00 H new ATOM 0 HG SER A 27 -14.310 -2.381 -11.656 1.00 0.00 H new ATOM 369 N ILE A 28 -13.003 -4.262 -7.832 1.00 0.00 N ATOM 370 CA ILE A 28 -12.366 -4.901 -6.687 1.00 0.00 C ATOM 371 C ILE A 28 -10.909 -5.241 -6.987 1.00 0.00 C ATOM 372 O ILE A 28 -10.617 -6.238 -7.648 1.00 0.00 O ATOM 373 CB ILE A 28 -13.107 -6.188 -6.276 1.00 0.00 C ATOM 374 CG1 ILE A 28 -14.579 -5.885 -5.990 1.00 0.00 C ATOM 375 CG2 ILE A 28 -12.444 -6.815 -5.058 1.00 0.00 C ATOM 376 CD1 ILE A 28 -15.441 -7.123 -5.884 1.00 0.00 C ATOM 0 H ILE A 28 -13.775 -4.793 -8.236 1.00 0.00 H new ATOM 0 HA ILE A 28 -12.409 -4.188 -5.864 1.00 0.00 H new ATOM 0 HB ILE A 28 -13.055 -6.899 -7.101 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -14.651 -5.321 -5.060 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -14.971 -5.246 -6.782 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -12.979 -7.723 -4.780 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.409 -7.061 -5.294 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -12.469 -6.110 -4.227 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -16.472 -6.832 -5.680 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -15.399 -7.677 -6.822 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -15.075 -7.753 -5.073 1.00 0.00 H new ATOM 388 N CYS A 29 -10.000 -4.407 -6.495 1.00 0.00 N ATOM 389 CA CYS A 29 -8.573 -4.619 -6.710 1.00 0.00 C ATOM 390 C CYS A 29 -7.991 -5.529 -5.633 1.00 0.00 C ATOM 391 O CYS A 29 -8.047 -5.215 -4.444 1.00 0.00 O ATOM 392 CB CYS A 29 -7.833 -3.280 -6.718 1.00 0.00 C ATOM 393 SG CYS A 29 -6.345 -3.266 -7.745 1.00 0.00 S ATOM 0 H CYS A 29 -10.225 -3.578 -5.945 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.444 -5.103 -7.678 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -8.512 -2.504 -7.070 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -7.558 -3.023 -5.695 1.00 0.00 H new ATOM 0 HG CYS A 29 -5.790 -2.092 -7.689 1.00 0.00 H new ATOM 399 N ASP A 30 -7.434 -6.657 -6.058 1.00 0.00 N ATOM 400 CA ASP A 30 -6.841 -7.614 -5.130 1.00 0.00 C ATOM 401 C ASP A 30 -5.360 -7.318 -4.917 1.00 0.00 C ATOM 402 O ASP A 30 -4.566 -7.360 -5.857 1.00 0.00 O ATOM 403 CB ASP A 30 -7.020 -9.040 -5.652 1.00 0.00 C ATOM 404 CG ASP A 30 -8.467 -9.367 -5.963 1.00 0.00 C ATOM 405 OD1 ASP A 30 -9.263 -9.504 -5.010 1.00 0.00 O ATOM 406 OD2 ASP A 30 -8.805 -9.484 -7.159 1.00 0.00 O ATOM 0 H ASP A 30 -7.380 -6.932 -7.039 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.353 -7.520 -4.172 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.420 -9.172 -6.552 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.643 -9.745 -4.911 1.00 0.00 H new ATOM 411 N LEU A 31 -4.995 -7.019 -3.675 1.00 0.00 N ATOM 412 CA LEU A 31 -3.608 -6.715 -3.338 1.00 0.00 C ATOM 413 C LEU A 31 -2.964 -7.875 -2.585 1.00 0.00 C ATOM 414 O LEU A 31 -3.281 -8.127 -1.424 1.00 0.00 O ATOM 415 CB LEU A 31 -3.535 -5.442 -2.494 1.00 0.00 C ATOM 416 CG LEU A 31 -2.135 -4.885 -2.238 1.00 0.00 C ATOM 417 CD1 LEU A 31 -1.591 -4.212 -3.489 1.00 0.00 C ATOM 418 CD2 LEU A 31 -2.153 -3.909 -1.070 1.00 0.00 C ATOM 0 H LEU A 31 -5.639 -6.981 -2.885 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.060 -6.560 -4.267 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.127 -4.670 -2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.007 -5.641 -1.532 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.477 -5.715 -1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.593 -3.822 -3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.539 -4.939 -4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.250 -3.393 -3.777 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.147 -3.523 -0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.826 -3.082 -1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.499 -4.422 -0.172 1.00 0.00 H new ATOM 430 N ASN A 32 -2.057 -8.577 -3.255 1.00 0.00 N ATOM 431 CA ASN A 32 -1.366 -9.710 -2.649 1.00 0.00 C ATOM 432 C ASN A 32 -0.097 -9.255 -1.935 1.00 0.00 C ATOM 433 O ASN A 32 0.813 -8.702 -2.553 1.00 0.00 O ATOM 434 CB ASN A 32 -1.019 -10.752 -3.715 1.00 0.00 C ATOM 435 CG ASN A 32 -2.248 -11.454 -4.259 1.00 0.00 C ATOM 436 OD1 ASN A 32 -3.093 -11.927 -3.500 1.00 0.00 O ATOM 437 ND2 ASN A 32 -2.351 -11.524 -5.581 1.00 0.00 N ATOM 0 H ASN A 32 -1.783 -8.382 -4.218 1.00 0.00 H new ATOM 0 HA ASN A 32 -2.034 -10.160 -1.914 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.489 -10.267 -4.534 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -0.340 -11.491 -3.289 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -3.156 -11.984 -6.006 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.625 -11.117 -6.171 1.00 0.00 H new ATOM 444 N LEU A 33 -0.044 -9.491 -0.628 1.00 0.00 N ATOM 445 CA LEU A 33 1.113 -9.106 0.172 1.00 0.00 C ATOM 446 C LEU A 33 1.634 -10.289 0.982 1.00 0.00 C ATOM 447 O LEU A 33 0.881 -10.935 1.711 1.00 0.00 O ATOM 448 CB LEU A 33 0.750 -7.952 1.109 1.00 0.00 C ATOM 449 CG LEU A 33 0.449 -6.612 0.438 1.00 0.00 C ATOM 450 CD1 LEU A 33 -0.489 -5.781 1.301 1.00 0.00 C ATOM 451 CD2 LEU A 33 1.738 -5.852 0.164 1.00 0.00 C ATOM 0 H LEU A 33 -0.789 -9.947 -0.101 1.00 0.00 H new ATOM 0 HA LEU A 33 1.900 -8.780 -0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.121 -8.246 1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.572 -7.808 1.811 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.044 -6.807 -0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.692 -4.831 0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.424 -6.321 1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.024 -5.595 2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.505 -4.901 -0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.259 -5.668 1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.375 -6.442 -0.494 1.00 0.00 H new ATOM 463 N LYS A 34 2.926 -10.567 0.850 1.00 0.00 N ATOM 464 CA LYS A 34 3.549 -11.670 1.571 1.00 0.00 C ATOM 465 C LYS A 34 3.870 -11.269 3.008 1.00 0.00 C ATOM 466 O LYS A 34 4.905 -10.657 3.274 1.00 0.00 O ATOM 467 CB LYS A 34 4.828 -12.116 0.858 1.00 0.00 C ATOM 468 CG LYS A 34 4.572 -12.991 -0.357 1.00 0.00 C ATOM 469 CD LYS A 34 4.497 -14.461 0.020 1.00 0.00 C ATOM 470 CE LYS A 34 5.870 -15.116 -0.014 1.00 0.00 C ATOM 471 NZ LYS A 34 6.700 -14.724 1.159 1.00 0.00 N ATOM 0 H LYS A 34 3.563 -10.043 0.250 1.00 0.00 H new ATOM 0 HA LYS A 34 2.843 -12.501 1.592 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.388 -11.234 0.549 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.456 -12.661 1.563 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.640 -12.689 -0.834 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.367 -12.842 -1.088 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.070 -14.560 1.018 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.828 -14.980 -0.666 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.755 -16.200 -0.032 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.384 -14.835 -0.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.432 -15.445 1.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.153 -13.807 0.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.095 -14.647 2.002 1.00 0.00 H new ATOM 485 N ILE A 35 2.978 -11.617 3.928 1.00 0.00 N ATOM 486 CA ILE A 35 3.168 -11.295 5.337 1.00 0.00 C ATOM 487 C ILE A 35 3.554 -12.535 6.137 1.00 0.00 C ATOM 488 O ILE A 35 3.012 -13.623 5.943 1.00 0.00 O ATOM 489 CB ILE A 35 1.898 -10.677 5.950 1.00 0.00 C ATOM 490 CG1 ILE A 35 1.528 -9.386 5.217 1.00 0.00 C ATOM 491 CG2 ILE A 35 2.102 -10.411 7.434 1.00 0.00 C ATOM 492 CD1 ILE A 35 0.043 -9.100 5.210 1.00 0.00 C ATOM 0 H ILE A 35 2.116 -12.122 3.723 1.00 0.00 H new ATOM 0 HA ILE A 35 3.977 -10.566 5.388 1.00 0.00 H new ATOM 0 HB ILE A 35 1.076 -11.384 5.837 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.049 -8.550 5.685 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.883 -9.447 4.188 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.196 -9.974 7.853 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.323 -11.348 7.945 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.934 -9.720 7.569 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.146 -8.170 4.674 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.483 -9.917 4.716 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.314 -9.006 6.235 1.00 0.00 H new ATOM 504 N PRO A 36 4.513 -12.368 7.061 1.00 0.00 N ATOM 505 CA PRO A 36 4.991 -13.462 7.911 1.00 0.00 C ATOM 506 C PRO A 36 3.947 -13.902 8.932 1.00 0.00 C ATOM 507 O PRO A 36 2.780 -13.521 8.843 1.00 0.00 O ATOM 508 CB PRO A 36 6.207 -12.857 8.617 1.00 0.00 C ATOM 509 CG PRO A 36 5.954 -11.389 8.616 1.00 0.00 C ATOM 510 CD PRO A 36 5.202 -11.099 7.346 1.00 0.00 C ATOM 0 HA PRO A 36 5.218 -14.358 7.333 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.307 -13.241 9.632 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.131 -13.100 8.092 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.373 -11.093 9.490 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.890 -10.832 8.651 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.496 -10.279 7.475 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.875 -10.816 6.536 1.00 0.00 H new ATOM 518 N GLU A 37 4.375 -14.706 9.900 1.00 0.00 N ATOM 519 CA GLU A 37 3.475 -15.197 10.937 1.00 0.00 C ATOM 520 C GLU A 37 2.585 -14.075 11.462 1.00 0.00 C ATOM 521 O GLU A 37 1.477 -14.319 11.940 1.00 0.00 O ATOM 522 CB GLU A 37 4.275 -15.810 12.089 1.00 0.00 C ATOM 523 CG GLU A 37 5.024 -14.784 12.923 1.00 0.00 C ATOM 524 CD GLU A 37 6.087 -15.412 13.803 1.00 0.00 C ATOM 525 OE1 GLU A 37 6.848 -16.264 13.298 1.00 0.00 O ATOM 526 OE2 GLU A 37 6.159 -15.052 14.996 1.00 0.00 O ATOM 0 H GLU A 37 5.338 -15.031 9.988 1.00 0.00 H new ATOM 0 HA GLU A 37 2.839 -15.965 10.496 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.597 -16.366 12.736 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.989 -16.527 11.684 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.490 -14.054 12.261 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.315 -14.241 13.548 1.00 0.00 H new ATOM 533 N ILE A 38 3.078 -12.844 11.369 1.00 0.00 N ATOM 534 CA ILE A 38 2.328 -11.684 11.834 1.00 0.00 C ATOM 535 C ILE A 38 0.838 -11.844 11.551 1.00 0.00 C ATOM 536 O ILE A 38 0.426 -11.988 10.401 1.00 0.00 O ATOM 537 CB ILE A 38 2.829 -10.387 11.171 1.00 0.00 C ATOM 538 CG1 ILE A 38 4.263 -10.085 11.611 1.00 0.00 C ATOM 539 CG2 ILE A 38 1.908 -9.227 11.515 1.00 0.00 C ATOM 540 CD1 ILE A 38 4.957 -9.058 10.744 1.00 0.00 C ATOM 0 H ILE A 38 3.993 -12.625 10.976 1.00 0.00 H new ATOM 0 HA ILE A 38 2.486 -11.616 12.910 1.00 0.00 H new ATOM 0 HB ILE A 38 2.822 -10.522 10.089 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.251 -9.730 12.642 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.841 -11.009 11.599 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.275 -8.318 11.039 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.901 -9.443 11.157 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.886 -9.088 12.596 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.969 -8.893 11.114 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.001 -9.419 9.716 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.402 -8.120 10.776 1.00 0.00 H new ATOM 552 N ASN A 39 0.034 -11.815 12.609 1.00 0.00 N ATOM 553 CA ASN A 39 -1.411 -11.955 12.475 1.00 0.00 C ATOM 554 C ASN A 39 -1.997 -10.802 11.665 1.00 0.00 C ATOM 555 O ASN A 39 -1.339 -9.784 11.449 1.00 0.00 O ATOM 556 CB ASN A 39 -2.070 -12.009 13.855 1.00 0.00 C ATOM 557 CG ASN A 39 -3.351 -12.821 13.853 1.00 0.00 C ATOM 558 OD1 ASN A 39 -4.364 -12.401 13.293 1.00 0.00 O ATOM 559 ND2 ASN A 39 -3.311 -13.990 14.481 1.00 0.00 N ATOM 0 H ASN A 39 0.359 -11.696 13.568 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.612 -12.887 11.947 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.371 -12.440 14.572 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.286 -10.995 14.191 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -4.142 -14.580 14.513 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.449 -14.298 14.931 1.00 0.00 H new ATOM 566 N SER A 40 -3.238 -10.969 11.219 1.00 0.00 N ATOM 567 CA SER A 40 -3.911 -9.945 10.430 1.00 0.00 C ATOM 568 C SER A 40 -4.518 -8.875 11.333 1.00 0.00 C ATOM 569 O SER A 40 -4.605 -7.706 10.957 1.00 0.00 O ATOM 570 CB SER A 40 -5.002 -10.574 9.562 1.00 0.00 C ATOM 571 OG SER A 40 -4.516 -11.719 8.882 1.00 0.00 O ATOM 0 H SER A 40 -3.798 -11.804 11.391 1.00 0.00 H new ATOM 0 HA SER A 40 -3.170 -9.474 9.784 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.852 -10.851 10.185 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.362 -9.843 8.838 1.00 0.00 H new ATOM 0 HG SER A 40 -3.538 -11.684 8.840 1.00 0.00 H new ATOM 577 N SER A 41 -4.935 -9.284 12.526 1.00 0.00 N ATOM 578 CA SER A 41 -5.538 -8.363 13.483 1.00 0.00 C ATOM 579 C SER A 41 -4.501 -7.379 14.017 1.00 0.00 C ATOM 580 O SER A 41 -4.820 -6.232 14.328 1.00 0.00 O ATOM 581 CB SER A 41 -6.167 -9.138 14.643 1.00 0.00 C ATOM 582 OG SER A 41 -7.439 -9.648 14.285 1.00 0.00 O ATOM 0 H SER A 41 -4.867 -10.247 12.854 1.00 0.00 H new ATOM 0 HA SER A 41 -6.316 -7.800 12.967 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.511 -9.959 14.934 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.264 -8.485 15.510 1.00 0.00 H new ATOM 0 HG SER A 41 -7.819 -10.140 15.042 1.00 0.00 H new ATOM 588 N ASP A 42 -3.258 -7.837 14.120 1.00 0.00 N ATOM 589 CA ASP A 42 -2.173 -6.999 14.615 1.00 0.00 C ATOM 590 C ASP A 42 -1.886 -5.855 13.647 1.00 0.00 C ATOM 591 O ASP A 42 -1.446 -4.780 14.055 1.00 0.00 O ATOM 592 CB ASP A 42 -0.909 -7.835 14.825 1.00 0.00 C ATOM 593 CG ASP A 42 -1.177 -9.101 15.614 1.00 0.00 C ATOM 594 OD1 ASP A 42 -2.011 -9.056 16.543 1.00 0.00 O ATOM 595 OD2 ASP A 42 -0.554 -10.137 15.303 1.00 0.00 O ATOM 0 H ASP A 42 -2.977 -8.784 13.867 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.481 -6.575 15.571 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.485 -8.097 13.856 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.163 -7.236 15.347 1.00 0.00 H new ATOM 600 N MET A 43 -2.137 -6.094 12.364 1.00 0.00 N ATOM 601 CA MET A 43 -1.905 -5.083 11.339 1.00 0.00 C ATOM 602 C MET A 43 -3.182 -4.300 11.049 1.00 0.00 C ATOM 603 O MET A 43 -4.250 -4.621 11.571 1.00 0.00 O ATOM 604 CB MET A 43 -1.392 -5.737 10.055 1.00 0.00 C ATOM 605 CG MET A 43 -0.015 -6.365 10.201 1.00 0.00 C ATOM 606 SD MET A 43 0.510 -7.241 8.715 1.00 0.00 S ATOM 607 CE MET A 43 -0.571 -8.668 8.763 1.00 0.00 C ATOM 0 H MET A 43 -2.501 -6.978 12.010 1.00 0.00 H new ATOM 0 HA MET A 43 -1.151 -4.390 11.712 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.100 -6.503 9.739 1.00 0.00 H new ATOM 0 HB3 MET A 43 -1.359 -4.988 9.264 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.712 -5.587 10.435 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.023 -7.058 11.043 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.007 -9.554 9.027 1.00 0.00 H new ATOM 0 HE2 MET A 43 -1.351 -8.508 9.507 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.027 -8.812 7.784 1.00 0.00 H new ATOM 617 N SER A 44 -3.064 -3.272 10.215 1.00 0.00 N ATOM 618 CA SER A 44 -4.208 -2.441 9.860 1.00 0.00 C ATOM 619 C SER A 44 -4.008 -1.797 8.491 1.00 0.00 C ATOM 620 O SER A 44 -3.068 -1.029 8.287 1.00 0.00 O ATOM 621 CB SER A 44 -4.428 -1.359 10.919 1.00 0.00 C ATOM 622 OG SER A 44 -3.294 -0.517 11.030 1.00 0.00 O ATOM 0 H SER A 44 -2.188 -2.995 9.773 1.00 0.00 H new ATOM 0 HA SER A 44 -5.090 -3.080 9.816 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.303 -0.763 10.659 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.635 -1.825 11.882 1.00 0.00 H new ATOM 0 HG SER A 44 -2.922 -0.350 10.139 1.00 0.00 H new ATOM 628 N ALA A 45 -4.898 -2.116 7.558 1.00 0.00 N ATOM 629 CA ALA A 45 -4.821 -1.567 6.209 1.00 0.00 C ATOM 630 C ALA A 45 -5.955 -0.580 5.953 1.00 0.00 C ATOM 631 O ALA A 45 -7.116 -0.863 6.249 1.00 0.00 O ATOM 632 CB ALA A 45 -4.851 -2.688 5.181 1.00 0.00 C ATOM 0 H ALA A 45 -5.681 -2.752 7.711 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.878 -1.028 6.115 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.793 -2.264 4.179 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.003 -3.353 5.343 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.779 -3.251 5.284 1.00 0.00 H new ATOM 638 N HIS A 46 -5.610 0.579 5.401 1.00 0.00 N ATOM 639 CA HIS A 46 -6.600 1.609 5.104 1.00 0.00 C ATOM 640 C HIS A 46 -6.184 2.428 3.886 1.00 0.00 C ATOM 641 O HIS A 46 -5.031 2.844 3.769 1.00 0.00 O ATOM 642 CB HIS A 46 -6.788 2.528 6.311 1.00 0.00 C ATOM 643 CG HIS A 46 -7.487 1.871 7.462 1.00 0.00 C ATOM 644 ND1 HIS A 46 -6.862 0.985 8.315 1.00 0.00 N ATOM 645 CD2 HIS A 46 -8.763 1.975 7.899 1.00 0.00 C ATOM 646 CE1 HIS A 46 -7.725 0.573 9.226 1.00 0.00 C ATOM 647 NE2 HIS A 46 -8.886 1.159 8.996 1.00 0.00 N ATOM 0 H HIS A 46 -4.653 0.829 5.150 1.00 0.00 H new ATOM 0 HA HIS A 46 -7.546 1.115 4.882 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.812 2.882 6.643 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.357 3.405 6.004 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.541 2.586 7.465 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.517 -0.125 10.024 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -9.736 1.027 9.544 1.00 0.00 H new ATOM 655 N VAL A 47 -7.130 2.655 2.980 1.00 0.00 N ATOM 656 CA VAL A 47 -6.862 3.424 1.771 1.00 0.00 C ATOM 657 C VAL A 47 -7.268 4.883 1.947 1.00 0.00 C ATOM 658 O VAL A 47 -8.452 5.219 1.907 1.00 0.00 O ATOM 659 CB VAL A 47 -7.606 2.838 0.557 1.00 0.00 C ATOM 660 CG1 VAL A 47 -7.316 3.656 -0.693 1.00 0.00 C ATOM 661 CG2 VAL A 47 -7.222 1.381 0.350 1.00 0.00 C ATOM 0 H VAL A 47 -8.089 2.317 3.061 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.788 3.368 1.591 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.677 2.884 0.753 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.850 3.227 -1.541 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.645 4.684 -0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.245 3.644 -0.895 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.757 0.983 -0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.148 1.309 0.176 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.485 0.806 1.238 1.00 0.00 H new ATOM 671 N THR A 48 -6.277 5.748 2.140 1.00 0.00 N ATOM 672 CA THR A 48 -6.530 7.172 2.323 1.00 0.00 C ATOM 673 C THR A 48 -6.575 7.898 0.983 1.00 0.00 C ATOM 674 O THR A 48 -5.688 7.732 0.146 1.00 0.00 O ATOM 675 CB THR A 48 -5.455 7.824 3.212 1.00 0.00 C ATOM 676 OG1 THR A 48 -5.470 7.229 4.514 1.00 0.00 O ATOM 677 CG2 THR A 48 -5.689 9.323 3.332 1.00 0.00 C ATOM 0 H THR A 48 -5.292 5.487 2.174 1.00 0.00 H new ATOM 0 HA THR A 48 -7.499 7.261 2.814 1.00 0.00 H new ATOM 0 HB THR A 48 -4.482 7.659 2.748 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.782 7.648 5.073 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.918 9.762 3.965 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.649 9.778 2.342 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.668 9.504 3.775 1.00 0.00 H new ATOM 685 N SER A 49 -7.612 8.706 0.787 1.00 0.00 N ATOM 686 CA SER A 49 -7.773 9.456 -0.453 1.00 0.00 C ATOM 687 C SER A 49 -6.779 10.611 -0.522 1.00 0.00 C ATOM 688 O SER A 49 -6.322 11.132 0.495 1.00 0.00 O ATOM 689 CB SER A 49 -9.202 9.991 -0.568 1.00 0.00 C ATOM 690 OG SER A 49 -9.448 11.001 0.395 1.00 0.00 O ATOM 0 H SER A 49 -8.353 8.858 1.471 1.00 0.00 H new ATOM 0 HA SER A 49 -7.577 8.780 -1.286 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.364 10.391 -1.569 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.911 9.175 -0.432 1.00 0.00 H new ATOM 0 HG SER A 49 -9.760 11.813 -0.055 1.00 0.00 H new ATOM 696 N PRO A 50 -6.435 11.021 -1.752 1.00 0.00 N ATOM 697 CA PRO A 50 -5.491 12.118 -1.985 1.00 0.00 C ATOM 698 C PRO A 50 -6.069 13.473 -1.589 1.00 0.00 C ATOM 699 O PRO A 50 -5.441 14.511 -1.798 1.00 0.00 O ATOM 700 CB PRO A 50 -5.248 12.062 -3.495 1.00 0.00 C ATOM 701 CG PRO A 50 -6.472 11.421 -4.053 1.00 0.00 C ATOM 702 CD PRO A 50 -6.940 10.445 -3.009 1.00 0.00 C ATOM 0 HA PRO A 50 -4.585 12.010 -1.389 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -5.100 13.059 -3.909 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.355 11.483 -3.731 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.240 12.165 -4.264 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.253 10.913 -4.992 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -8.026 10.355 -3.002 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.538 9.447 -3.183 1.00 0.00 H new ATOM 710 N SER A 51 -7.268 13.455 -1.016 1.00 0.00 N ATOM 711 CA SER A 51 -7.931 14.683 -0.593 1.00 0.00 C ATOM 712 C SER A 51 -7.786 14.888 0.912 1.00 0.00 C ATOM 713 O SER A 51 -7.143 15.836 1.362 1.00 0.00 O ATOM 714 CB SER A 51 -9.412 14.644 -0.974 1.00 0.00 C ATOM 715 OG SER A 51 -10.070 13.553 -0.353 1.00 0.00 O ATOM 0 H SER A 51 -7.800 12.604 -0.834 1.00 0.00 H new ATOM 0 HA SER A 51 -7.454 15.520 -1.103 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.891 15.577 -0.679 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.510 14.564 -2.057 1.00 0.00 H new ATOM 0 HG SER A 51 -11.015 13.551 -0.611 1.00 0.00 H new ATOM 721 N GLY A 52 -8.391 13.992 1.686 1.00 0.00 N ATOM 722 CA GLY A 52 -8.318 14.092 3.132 1.00 0.00 C ATOM 723 C GLY A 52 -9.247 13.116 3.828 1.00 0.00 C ATOM 724 O GLY A 52 -9.729 13.385 4.928 1.00 0.00 O ATOM 0 H GLY A 52 -8.930 13.199 1.338 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.293 13.907 3.455 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.569 15.108 3.436 1.00 0.00 H new ATOM 728 N ARG A 53 -9.499 11.981 3.185 1.00 0.00 N ATOM 729 CA ARG A 53 -10.378 10.963 3.748 1.00 0.00 C ATOM 730 C ARG A 53 -9.625 9.654 3.965 1.00 0.00 C ATOM 731 O ARG A 53 -8.618 9.388 3.308 1.00 0.00 O ATOM 732 CB ARG A 53 -11.577 10.728 2.826 1.00 0.00 C ATOM 733 CG ARG A 53 -12.765 11.624 3.132 1.00 0.00 C ATOM 734 CD ARG A 53 -13.763 11.638 1.985 1.00 0.00 C ATOM 735 NE ARG A 53 -14.399 10.336 1.797 1.00 0.00 N ATOM 736 CZ ARG A 53 -14.944 9.944 0.651 1.00 0.00 C ATOM 737 NH1 ARG A 53 -14.931 10.747 -0.403 1.00 0.00 N ATOM 738 NH2 ARG A 53 -15.505 8.744 0.559 1.00 0.00 N ATOM 0 H ARG A 53 -9.107 11.743 2.274 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.735 11.321 4.714 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.268 10.889 1.793 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.888 9.686 2.907 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.258 11.278 4.040 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.417 12.639 3.325 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -14.528 12.390 2.179 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -13.255 11.929 1.066 1.00 0.00 H new ATOM 0 HE ARG A 53 -14.426 9.693 2.589 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -14.501 11.670 -0.336 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -15.351 10.442 -1.281 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -15.517 8.123 1.368 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -15.924 8.443 -0.321 1.00 0.00 H new ATOM 752 N VAL A 54 -10.121 8.839 4.891 1.00 0.00 N ATOM 753 CA VAL A 54 -9.496 7.557 5.194 1.00 0.00 C ATOM 754 C VAL A 54 -10.514 6.423 5.144 1.00 0.00 C ATOM 755 O VAL A 54 -11.548 6.472 5.812 1.00 0.00 O ATOM 756 CB VAL A 54 -8.829 7.572 6.583 1.00 0.00 C ATOM 757 CG1 VAL A 54 -8.221 6.214 6.898 1.00 0.00 C ATOM 758 CG2 VAL A 54 -7.776 8.668 6.655 1.00 0.00 C ATOM 0 H VAL A 54 -10.953 9.044 5.444 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.733 7.390 4.434 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.592 7.783 7.332 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.755 6.244 7.883 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.003 5.455 6.890 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.469 5.969 6.148 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.315 8.665 7.643 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.013 8.490 5.897 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.245 9.636 6.477 1.00 0.00 H new ATOM 768 N THR A 55 -10.216 5.401 4.348 1.00 0.00 N ATOM 769 CA THR A 55 -11.105 4.255 4.210 1.00 0.00 C ATOM 770 C THR A 55 -10.477 2.998 4.801 1.00 0.00 C ATOM 771 O THR A 55 -9.262 2.925 4.978 1.00 0.00 O ATOM 772 CB THR A 55 -11.458 3.993 2.733 1.00 0.00 C ATOM 773 OG1 THR A 55 -11.760 5.229 2.075 1.00 0.00 O ATOM 774 CG2 THR A 55 -12.646 3.050 2.621 1.00 0.00 C ATOM 0 H THR A 55 -9.365 5.344 3.789 1.00 0.00 H new ATOM 0 HA THR A 55 -12.017 4.494 4.757 1.00 0.00 H new ATOM 0 HB THR A 55 -10.597 3.527 2.253 1.00 0.00 H new ATOM 0 HG1 THR A 55 -11.982 5.054 1.136 1.00 0.00 H new ATOM 0 HG21 THR A 55 -12.877 2.879 1.570 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.403 2.100 3.098 1.00 0.00 H new ATOM 0 HG23 THR A 55 -13.510 3.493 3.115 1.00 0.00 H new ATOM 782 N GLU A 56 -11.314 2.010 5.103 1.00 0.00 N ATOM 783 CA GLU A 56 -10.839 0.755 5.674 1.00 0.00 C ATOM 784 C GLU A 56 -10.926 -0.375 4.653 1.00 0.00 C ATOM 785 O GLU A 56 -11.805 -0.380 3.791 1.00 0.00 O ATOM 786 CB GLU A 56 -11.652 0.396 6.920 1.00 0.00 C ATOM 787 CG GLU A 56 -11.700 -1.095 7.206 1.00 0.00 C ATOM 788 CD GLU A 56 -12.837 -1.791 6.482 1.00 0.00 C ATOM 789 OE1 GLU A 56 -13.375 -1.204 5.520 1.00 0.00 O ATOM 790 OE2 GLU A 56 -13.189 -2.922 6.878 1.00 0.00 O ATOM 0 H GLU A 56 -12.323 2.054 4.962 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.794 0.886 5.956 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.226 0.909 7.782 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.670 0.767 6.799 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.754 -1.549 6.910 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.807 -1.252 8.279 1.00 0.00 H new ATOM 797 N ALA A 57 -10.009 -1.331 4.757 1.00 0.00 N ATOM 798 CA ALA A 57 -9.983 -2.467 3.844 1.00 0.00 C ATOM 799 C ALA A 57 -10.054 -3.786 4.607 1.00 0.00 C ATOM 800 O ALA A 57 -9.828 -3.826 5.816 1.00 0.00 O ATOM 801 CB ALA A 57 -8.731 -2.422 2.981 1.00 0.00 C ATOM 0 H ALA A 57 -9.274 -1.341 5.464 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.859 -2.403 3.198 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.725 -3.276 2.304 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.722 -1.499 2.401 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.848 -2.458 3.619 1.00 0.00 H new ATOM 807 N GLU A 58 -10.370 -4.861 3.893 1.00 0.00 N ATOM 808 CA GLU A 58 -10.472 -6.181 4.505 1.00 0.00 C ATOM 809 C GLU A 58 -9.258 -7.038 4.157 1.00 0.00 C ATOM 810 O GLU A 58 -8.828 -7.083 3.004 1.00 0.00 O ATOM 811 CB GLU A 58 -11.753 -6.882 4.047 1.00 0.00 C ATOM 812 CG GLU A 58 -11.902 -8.293 4.592 1.00 0.00 C ATOM 813 CD GLU A 58 -13.351 -8.729 4.693 1.00 0.00 C ATOM 814 OE1 GLU A 58 -14.213 -7.864 4.957 1.00 0.00 O ATOM 815 OE2 GLU A 58 -13.623 -9.933 4.508 1.00 0.00 O ATOM 0 H GLU A 58 -10.560 -4.844 2.891 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.504 -6.050 5.587 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.613 -6.289 4.358 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.768 -6.919 2.958 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.362 -8.986 3.947 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.440 -8.348 5.578 1.00 0.00 H new ATOM 822 N ILE A 59 -8.711 -7.714 5.161 1.00 0.00 N ATOM 823 CA ILE A 59 -7.547 -8.569 4.961 1.00 0.00 C ATOM 824 C ILE A 59 -7.945 -10.041 4.931 1.00 0.00 C ATOM 825 O ILE A 59 -7.977 -10.708 5.964 1.00 0.00 O ATOM 826 CB ILE A 59 -6.496 -8.356 6.066 1.00 0.00 C ATOM 827 CG1 ILE A 59 -6.090 -6.883 6.137 1.00 0.00 C ATOM 828 CG2 ILE A 59 -5.280 -9.235 5.817 1.00 0.00 C ATOM 829 CD1 ILE A 59 -4.918 -6.622 7.058 1.00 0.00 C ATOM 0 H ILE A 59 -9.055 -7.687 6.121 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.113 -8.292 4.000 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.934 -8.639 7.023 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.839 -6.535 5.135 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.944 -6.295 6.474 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.546 -9.073 6.607 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.583 -10.282 5.812 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.838 -8.981 4.853 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.686 -5.557 7.059 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.173 -6.938 8.069 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.050 -7.182 6.710 1.00 0.00 H new ATOM 841 N VAL A 60 -8.247 -10.542 3.737 1.00 0.00 N ATOM 842 CA VAL A 60 -8.640 -11.936 3.570 1.00 0.00 C ATOM 843 C VAL A 60 -7.466 -12.873 3.828 1.00 0.00 C ATOM 844 O VAL A 60 -6.411 -12.774 3.201 1.00 0.00 O ATOM 845 CB VAL A 60 -9.191 -12.198 2.155 1.00 0.00 C ATOM 846 CG1 VAL A 60 -9.827 -13.577 2.077 1.00 0.00 C ATOM 847 CG2 VAL A 60 -10.188 -11.119 1.764 1.00 0.00 C ATOM 0 H VAL A 60 -8.227 -10.003 2.871 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.425 -12.133 4.300 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.361 -12.167 1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.211 -13.744 1.071 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.080 -14.336 2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -10.647 -13.641 2.793 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.567 -11.320 0.762 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.017 -11.116 2.472 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.696 -10.147 1.778 1.00 0.00 H new ATOM 857 N PRO A 61 -7.650 -13.805 4.774 1.00 0.00 N ATOM 858 CA PRO A 61 -6.617 -14.780 5.137 1.00 0.00 C ATOM 859 C PRO A 61 -6.375 -15.805 4.035 1.00 0.00 C ATOM 860 O PRO A 61 -7.231 -16.643 3.755 1.00 0.00 O ATOM 861 CB PRO A 61 -7.192 -15.459 6.383 1.00 0.00 C ATOM 862 CG PRO A 61 -8.668 -15.298 6.255 1.00 0.00 C ATOM 863 CD PRO A 61 -8.882 -13.981 5.562 1.00 0.00 C ATOM 0 HA PRO A 61 -5.649 -14.306 5.302 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.911 -16.511 6.426 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.820 -14.992 7.295 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.101 -16.116 5.680 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.148 -15.307 7.234 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.767 -14.001 4.925 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.022 -13.169 6.276 1.00 0.00 H new ATOM 871 N MET A 62 -5.202 -15.733 3.414 1.00 0.00 N ATOM 872 CA MET A 62 -4.847 -16.657 2.343 1.00 0.00 C ATOM 873 C MET A 62 -4.405 -18.002 2.910 1.00 0.00 C ATOM 874 O MET A 62 -5.072 -19.018 2.715 1.00 0.00 O ATOM 875 CB MET A 62 -3.733 -16.064 1.477 1.00 0.00 C ATOM 876 CG MET A 62 -4.239 -15.118 0.400 1.00 0.00 C ATOM 877 SD MET A 62 -2.989 -14.755 -0.847 1.00 0.00 S ATOM 878 CE MET A 62 -3.815 -15.325 -2.330 1.00 0.00 C ATOM 0 H MET A 62 -4.482 -15.045 3.634 1.00 0.00 H new ATOM 0 HA MET A 62 -5.731 -16.816 1.726 1.00 0.00 H new ATOM 0 HB2 MET A 62 -3.031 -15.530 2.118 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.180 -16.876 1.005 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.112 -15.557 -0.083 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.566 -14.187 0.864 1.00 0.00 H new ATOM 0 HE1 MET A 62 -3.166 -15.167 -3.191 1.00 0.00 H new ATOM 0 HE2 MET A 62 -4.041 -16.387 -2.235 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.742 -14.768 -2.467 1.00 0.00 H new ATOM 888 N GLY A 63 -3.276 -18.002 3.612 1.00 0.00 N ATOM 889 CA GLY A 63 -2.765 -19.228 4.196 1.00 0.00 C ATOM 890 C GLY A 63 -1.427 -19.031 4.880 1.00 0.00 C ATOM 891 O GLY A 63 -1.267 -18.125 5.698 1.00 0.00 O ATOM 0 H GLY A 63 -2.706 -17.174 3.787 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.486 -19.611 4.918 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.663 -19.983 3.417 1.00 0.00 H new ATOM 895 N LYS A 64 -0.463 -19.882 4.547 1.00 0.00 N ATOM 896 CA LYS A 64 0.869 -19.798 5.136 1.00 0.00 C ATOM 897 C LYS A 64 1.526 -18.462 4.806 1.00 0.00 C ATOM 898 O LYS A 64 1.854 -18.189 3.652 1.00 0.00 O ATOM 899 CB LYS A 64 1.744 -20.948 4.632 1.00 0.00 C ATOM 900 CG LYS A 64 1.934 -20.953 3.125 1.00 0.00 C ATOM 901 CD LYS A 64 2.362 -22.321 2.621 1.00 0.00 C ATOM 902 CE LYS A 64 3.873 -22.489 2.680 1.00 0.00 C ATOM 903 NZ LYS A 64 4.290 -23.877 2.339 1.00 0.00 N ATOM 0 H LYS A 64 -0.579 -20.638 3.872 1.00 0.00 H new ATOM 0 HA LYS A 64 0.767 -19.874 6.219 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.720 -20.888 5.113 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.297 -21.894 4.936 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.003 -20.660 2.639 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.684 -20.212 2.850 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.885 -23.096 3.220 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.020 -22.455 1.595 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.344 -21.789 1.990 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.228 -22.238 3.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.326 -23.951 2.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.862 -24.544 3.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.974 -24.108 1.375 1.00 0.00 H new ATOM 917 N ASN A 65 1.718 -17.634 5.828 1.00 0.00 N ATOM 918 CA ASN A 65 2.337 -16.326 5.646 1.00 0.00 C ATOM 919 C ASN A 65 1.806 -15.642 4.390 1.00 0.00 C ATOM 920 O ASN A 65 2.542 -14.946 3.691 1.00 0.00 O ATOM 921 CB ASN A 65 3.858 -16.467 5.558 1.00 0.00 C ATOM 922 CG ASN A 65 4.423 -17.336 6.666 1.00 0.00 C ATOM 923 OD1 ASN A 65 4.166 -16.949 7.910 1.00 0.00 O flip ATOM 924 ND2 ASN A 65 5.083 -18.342 6.406 1.00 0.00 N flip ATOM 0 H ASN A 65 1.454 -17.846 6.790 1.00 0.00 H new ATOM 0 HA ASN A 65 2.084 -15.709 6.508 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.125 -16.895 4.592 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.315 -15.479 5.606 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.256 -18.602 5.435 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.457 -18.916 7.162 1.00 0.00 H new ATOM 931 N SER A 66 0.522 -15.846 4.110 1.00 0.00 N ATOM 932 CA SER A 66 -0.108 -15.251 2.937 1.00 0.00 C ATOM 933 C SER A 66 -1.348 -14.455 3.332 1.00 0.00 C ATOM 934 O SER A 66 -2.097 -14.852 4.225 1.00 0.00 O ATOM 935 CB SER A 66 -0.485 -16.338 1.929 1.00 0.00 C ATOM 936 OG SER A 66 0.668 -17.003 1.440 1.00 0.00 O ATOM 0 H SER A 66 -0.102 -16.418 4.679 1.00 0.00 H new ATOM 0 HA SER A 66 0.608 -14.570 2.476 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.152 -17.060 2.400 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.032 -15.893 1.098 1.00 0.00 H new ATOM 0 HG SER A 66 1.132 -17.442 2.183 1.00 0.00 H new ATOM 942 N HIS A 67 -1.560 -13.329 2.658 1.00 0.00 N ATOM 943 CA HIS A 67 -2.709 -12.476 2.937 1.00 0.00 C ATOM 944 C HIS A 67 -3.116 -11.689 1.694 1.00 0.00 C ATOM 945 O HIS A 67 -2.268 -11.294 0.893 1.00 0.00 O ATOM 946 CB HIS A 67 -2.392 -11.515 4.082 1.00 0.00 C ATOM 947 CG HIS A 67 -2.082 -12.205 5.375 1.00 0.00 C ATOM 948 ND1 HIS A 67 -0.956 -12.824 5.800 1.00 0.00 N flip ATOM 949 CD2 HIS A 67 -2.991 -12.315 6.406 1.00 0.00 C flip ATOM 950 CE1 HIS A 67 -1.202 -13.291 7.068 1.00 0.00 C flip ATOM 951 NE2 HIS A 67 -2.436 -12.970 7.410 1.00 0.00 N flip ATOM 0 H HIS A 67 -0.951 -12.986 1.915 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.542 -13.115 3.230 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.543 -10.893 3.799 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.241 -10.847 4.230 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -0.087 -12.925 5.276 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.999 -11.927 6.394 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -0.500 -13.833 7.685 1.00 0.00 H new ATOM 959 N CYS A 68 -4.416 -11.466 1.541 1.00 0.00 N ATOM 960 CA CYS A 68 -4.935 -10.727 0.395 1.00 0.00 C ATOM 961 C CYS A 68 -5.922 -9.653 0.842 1.00 0.00 C ATOM 962 O CYS A 68 -6.734 -9.876 1.740 1.00 0.00 O ATOM 963 CB CYS A 68 -5.613 -11.682 -0.589 1.00 0.00 C ATOM 964 SG CYS A 68 -5.615 -11.099 -2.300 1.00 0.00 S ATOM 0 H CYS A 68 -5.130 -11.786 2.195 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.096 -10.240 -0.102 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.110 -12.648 -0.546 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.643 -11.844 -0.270 1.00 0.00 H new ATOM 0 HG CYS A 68 -4.674 -11.701 -2.965 1.00 0.00 H new ATOM 970 N VAL A 69 -5.845 -8.486 0.209 1.00 0.00 N ATOM 971 CA VAL A 69 -6.731 -7.377 0.542 1.00 0.00 C ATOM 972 C VAL A 69 -7.548 -6.944 -0.670 1.00 0.00 C ATOM 973 O VAL A 69 -6.997 -6.484 -1.671 1.00 0.00 O ATOM 974 CB VAL A 69 -5.940 -6.167 1.073 1.00 0.00 C ATOM 975 CG1 VAL A 69 -6.879 -5.014 1.393 1.00 0.00 C ATOM 976 CG2 VAL A 69 -5.126 -6.559 2.297 1.00 0.00 C ATOM 0 H VAL A 69 -5.179 -8.285 -0.537 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.404 -7.732 1.322 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.250 -5.837 0.297 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.302 -4.168 1.767 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.413 -4.718 0.490 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.596 -5.328 2.152 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.573 -5.692 2.659 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.795 -6.916 3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.426 -7.350 2.030 1.00 0.00 H new ATOM 986 N ARG A 70 -8.865 -7.094 -0.573 1.00 0.00 N ATOM 987 CA ARG A 70 -9.759 -6.719 -1.662 1.00 0.00 C ATOM 988 C ARG A 70 -10.493 -5.420 -1.340 1.00 0.00 C ATOM 989 O ARG A 70 -11.131 -5.299 -0.294 1.00 0.00 O ATOM 990 CB ARG A 70 -10.769 -7.836 -1.929 1.00 0.00 C ATOM 991 CG ARG A 70 -11.575 -8.234 -0.703 1.00 0.00 C ATOM 992 CD ARG A 70 -12.599 -9.308 -1.034 1.00 0.00 C ATOM 993 NE ARG A 70 -13.761 -9.247 -0.152 1.00 0.00 N ATOM 994 CZ ARG A 70 -14.802 -8.448 -0.361 1.00 0.00 C ATOM 995 NH1 ARG A 70 -14.825 -7.648 -1.418 1.00 0.00 N ATOM 996 NH2 ARG A 70 -15.822 -8.449 0.488 1.00 0.00 N ATOM 0 H ARG A 70 -9.336 -7.473 0.248 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.156 -6.563 -2.556 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -11.453 -7.516 -2.715 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.239 -8.711 -2.305 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.902 -8.598 0.073 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.083 -7.358 -0.300 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.923 -9.194 -2.068 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.133 -10.290 -0.953 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.774 -9.851 0.670 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -14.043 -7.645 -2.073 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -15.625 -7.035 -1.577 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -15.807 -9.063 1.302 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -16.621 -7.835 0.327 1.00 0.00 H new ATOM 1010 N PHE A 71 -10.398 -4.453 -2.246 1.00 0.00 N ATOM 1011 CA PHE A 71 -11.052 -3.163 -2.058 1.00 0.00 C ATOM 1012 C PHE A 71 -11.202 -2.430 -3.388 1.00 0.00 C ATOM 1013 O PHE A 71 -10.600 -2.812 -4.392 1.00 0.00 O ATOM 1014 CB PHE A 71 -10.255 -2.302 -1.076 1.00 0.00 C ATOM 1015 CG PHE A 71 -8.864 -1.987 -1.547 1.00 0.00 C ATOM 1016 CD1 PHE A 71 -7.879 -2.962 -1.541 1.00 0.00 C ATOM 1017 CD2 PHE A 71 -8.541 -0.716 -1.995 1.00 0.00 C ATOM 1018 CE1 PHE A 71 -6.598 -2.675 -1.974 1.00 0.00 C ATOM 1019 CE2 PHE A 71 -7.262 -0.424 -2.429 1.00 0.00 C ATOM 1020 CZ PHE A 71 -6.289 -1.405 -2.417 1.00 0.00 C ATOM 0 H PHE A 71 -9.875 -4.538 -3.117 1.00 0.00 H new ATOM 0 HA PHE A 71 -12.046 -3.344 -1.649 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -10.792 -1.369 -0.905 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -10.197 -2.817 -0.117 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.115 -3.957 -1.194 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -9.297 0.055 -2.005 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.840 -3.444 -1.966 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -7.023 0.570 -2.777 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.288 -1.178 -2.754 1.00 0.00 H new ATOM 1030 N VAL A 72 -12.011 -1.376 -3.388 1.00 0.00 N ATOM 1031 CA VAL A 72 -12.242 -0.588 -4.593 1.00 0.00 C ATOM 1032 C VAL A 72 -11.526 0.755 -4.517 1.00 0.00 C ATOM 1033 O VAL A 72 -12.057 1.742 -4.008 1.00 0.00 O ATOM 1034 CB VAL A 72 -13.745 -0.345 -4.826 1.00 0.00 C ATOM 1035 CG1 VAL A 72 -14.004 0.054 -6.271 1.00 0.00 C ATOM 1036 CG2 VAL A 72 -14.548 -1.581 -4.453 1.00 0.00 C ATOM 0 H VAL A 72 -12.518 -1.048 -2.566 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.842 -1.163 -5.428 1.00 0.00 H new ATOM 0 HB VAL A 72 -14.066 0.476 -4.185 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -15.071 0.221 -6.417 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.459 0.970 -6.499 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.668 -0.743 -6.934 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -15.608 -1.392 -4.624 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -14.226 -2.423 -5.066 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -14.386 -1.816 -3.401 1.00 0.00 H new ATOM 1046 N PRO A 73 -10.290 0.798 -5.036 1.00 0.00 N ATOM 1047 CA PRO A 73 -9.474 2.015 -5.040 1.00 0.00 C ATOM 1048 C PRO A 73 -10.016 3.073 -5.995 1.00 0.00 C ATOM 1049 O PRO A 73 -9.522 3.226 -7.111 1.00 0.00 O ATOM 1050 CB PRO A 73 -8.103 1.523 -5.511 1.00 0.00 C ATOM 1051 CG PRO A 73 -8.394 0.296 -6.305 1.00 0.00 C ATOM 1052 CD PRO A 73 -9.593 -0.341 -5.659 1.00 0.00 C ATOM 0 HA PRO A 73 -9.456 2.496 -4.062 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.599 2.276 -6.116 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.450 1.303 -4.667 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.598 0.544 -7.347 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.541 -0.383 -6.300 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -10.223 -0.846 -6.391 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.302 -1.087 -4.920 1.00 0.00 H new ATOM 1060 N GLN A 74 -11.034 3.802 -5.547 1.00 0.00 N ATOM 1061 CA GLN A 74 -11.643 4.845 -6.363 1.00 0.00 C ATOM 1062 C GLN A 74 -11.508 6.209 -5.693 1.00 0.00 C ATOM 1063 O GLN A 74 -12.104 6.457 -4.646 1.00 0.00 O ATOM 1064 CB GLN A 74 -13.119 4.531 -6.613 1.00 0.00 C ATOM 1065 CG GLN A 74 -13.877 4.131 -5.357 1.00 0.00 C ATOM 1066 CD GLN A 74 -15.216 3.489 -5.663 1.00 0.00 C ATOM 1067 OE1 GLN A 74 -15.680 3.507 -6.804 1.00 0.00 O ATOM 1068 NE2 GLN A 74 -15.845 2.917 -4.643 1.00 0.00 N ATOM 0 H GLN A 74 -11.454 3.689 -4.624 1.00 0.00 H new ATOM 0 HA GLN A 74 -11.119 4.876 -7.318 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -13.598 5.405 -7.054 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.192 3.725 -7.343 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -13.270 3.437 -4.776 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -14.035 5.013 -4.736 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -15.423 2.926 -3.714 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -16.750 2.469 -4.788 1.00 0.00 H new ATOM 1077 N GLU A 75 -10.720 7.088 -6.304 1.00 0.00 N ATOM 1078 CA GLU A 75 -10.506 8.426 -5.765 1.00 0.00 C ATOM 1079 C GLU A 75 -10.390 9.453 -6.888 1.00 0.00 C ATOM 1080 O GLU A 75 -10.501 9.115 -8.066 1.00 0.00 O ATOM 1081 CB GLU A 75 -9.245 8.455 -4.899 1.00 0.00 C ATOM 1082 CG GLU A 75 -9.449 7.882 -3.507 1.00 0.00 C ATOM 1083 CD GLU A 75 -9.162 6.394 -3.441 1.00 0.00 C ATOM 1084 OE1 GLU A 75 -7.995 6.026 -3.195 1.00 0.00 O ATOM 1085 OE2 GLU A 75 -10.105 5.599 -3.637 1.00 0.00 O ATOM 0 H GLU A 75 -10.219 6.898 -7.172 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.367 8.684 -5.148 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.457 7.895 -5.401 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.898 9.485 -4.812 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.800 8.405 -2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.476 8.065 -3.190 1.00 0.00 H new ATOM 1092 N MET A 76 -10.167 10.708 -6.512 1.00 0.00 N ATOM 1093 CA MET A 76 -10.036 11.785 -7.487 1.00 0.00 C ATOM 1094 C MET A 76 -8.574 11.994 -7.871 1.00 0.00 C ATOM 1095 O MET A 76 -8.242 12.927 -8.601 1.00 0.00 O ATOM 1096 CB MET A 76 -10.619 13.083 -6.927 1.00 0.00 C ATOM 1097 CG MET A 76 -12.131 13.050 -6.766 1.00 0.00 C ATOM 1098 SD MET A 76 -13.001 13.330 -8.320 1.00 0.00 S ATOM 1099 CE MET A 76 -14.624 12.687 -7.920 1.00 0.00 C ATOM 0 H MET A 76 -10.073 11.004 -5.540 1.00 0.00 H new ATOM 0 HA MET A 76 -10.592 11.502 -8.381 1.00 0.00 H new ATOM 0 HB2 MET A 76 -10.163 13.289 -5.959 1.00 0.00 H new ATOM 0 HB3 MET A 76 -10.350 13.907 -7.587 1.00 0.00 H new ATOM 0 HG2 MET A 76 -12.428 12.084 -6.357 1.00 0.00 H new ATOM 0 HG3 MET A 76 -12.432 13.809 -6.044 1.00 0.00 H new ATOM 0 HE1 MET A 76 -15.279 12.790 -8.785 1.00 0.00 H new ATOM 0 HE2 MET A 76 -14.542 11.634 -7.650 1.00 0.00 H new ATOM 0 HE3 MET A 76 -15.040 13.245 -7.081 1.00 0.00 H new ATOM 1109 N GLY A 77 -7.705 11.120 -7.374 1.00 0.00 N ATOM 1110 CA GLY A 77 -6.289 11.228 -7.676 1.00 0.00 C ATOM 1111 C GLY A 77 -5.523 9.970 -7.319 1.00 0.00 C ATOM 1112 O GLY A 77 -6.005 8.858 -7.536 1.00 0.00 O ATOM 0 H GLY A 77 -7.956 10.339 -6.768 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.162 11.438 -8.738 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.868 12.073 -7.131 1.00 0.00 H new ATOM 1116 N VAL A 78 -4.324 10.144 -6.772 1.00 0.00 N ATOM 1117 CA VAL A 78 -3.488 9.014 -6.385 1.00 0.00 C ATOM 1118 C VAL A 78 -4.007 8.358 -5.110 1.00 0.00 C ATOM 1119 O VAL A 78 -4.470 9.038 -4.194 1.00 0.00 O ATOM 1120 CB VAL A 78 -2.026 9.445 -6.169 1.00 0.00 C ATOM 1121 CG1 VAL A 78 -1.869 10.153 -4.832 1.00 0.00 C ATOM 1122 CG2 VAL A 78 -1.098 8.243 -6.258 1.00 0.00 C ATOM 0 H VAL A 78 -3.910 11.058 -6.587 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.529 8.295 -7.203 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.752 10.146 -6.957 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.829 10.450 -4.697 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.505 11.038 -4.812 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.161 9.479 -4.027 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.069 8.566 -6.103 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.370 7.516 -5.492 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.190 7.784 -7.243 1.00 0.00 H new ATOM 1132 N HIS A 79 -3.926 7.033 -5.058 1.00 0.00 N ATOM 1133 CA HIS A 79 -4.386 6.284 -3.893 1.00 0.00 C ATOM 1134 C HIS A 79 -3.206 5.827 -3.040 1.00 0.00 C ATOM 1135 O HIS A 79 -2.209 5.324 -3.559 1.00 0.00 O ATOM 1136 CB HIS A 79 -5.212 5.074 -4.332 1.00 0.00 C ATOM 1137 CG HIS A 79 -6.313 5.416 -5.288 1.00 0.00 C ATOM 1138 ND1 HIS A 79 -6.204 6.410 -6.238 1.00 0.00 N ATOM 1139 CD2 HIS A 79 -7.550 4.889 -5.439 1.00 0.00 C ATOM 1140 CE1 HIS A 79 -7.327 6.480 -6.930 1.00 0.00 C ATOM 1141 NE2 HIS A 79 -8.160 5.567 -6.465 1.00 0.00 N ATOM 0 H HIS A 79 -3.547 6.455 -5.808 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.012 6.943 -3.292 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.551 4.343 -4.798 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.642 4.599 -3.450 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.978 4.084 -4.860 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.529 7.167 -7.738 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -9.103 5.394 -6.812 1.00 0.00 H new ATOM 1149 N THR A 80 -3.327 6.005 -1.728 1.00 0.00 N ATOM 1150 CA THR A 80 -2.270 5.613 -0.804 1.00 0.00 C ATOM 1151 C THR A 80 -2.781 4.605 0.219 1.00 0.00 C ATOM 1152 O THR A 80 -3.808 4.824 0.862 1.00 0.00 O ATOM 1153 CB THR A 80 -1.693 6.833 -0.061 1.00 0.00 C ATOM 1154 OG1 THR A 80 -1.271 7.826 -1.003 1.00 0.00 O ATOM 1155 CG2 THR A 80 -0.517 6.426 0.815 1.00 0.00 C ATOM 0 H THR A 80 -4.146 6.418 -1.282 1.00 0.00 H new ATOM 0 HA THR A 80 -1.482 5.154 -1.401 1.00 0.00 H new ATOM 0 HB THR A 80 -2.475 7.246 0.576 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.907 8.599 -0.523 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.126 7.304 1.330 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.848 5.692 1.550 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.266 5.991 0.194 1.00 0.00 H new ATOM 1163 N VAL A 81 -2.058 3.500 0.366 1.00 0.00 N ATOM 1164 CA VAL A 81 -2.437 2.458 1.313 1.00 0.00 C ATOM 1165 C VAL A 81 -1.528 2.470 2.537 1.00 0.00 C ATOM 1166 O VAL A 81 -0.325 2.232 2.431 1.00 0.00 O ATOM 1167 CB VAL A 81 -2.386 1.063 0.663 1.00 0.00 C ATOM 1168 CG1 VAL A 81 -3.147 0.052 1.507 1.00 0.00 C ATOM 1169 CG2 VAL A 81 -2.943 1.114 -0.752 1.00 0.00 C ATOM 0 H VAL A 81 -1.206 3.303 -0.159 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.461 2.669 1.622 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.345 0.745 0.609 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.100 -0.928 1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.699 -0.004 2.499 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.188 0.362 1.596 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.899 0.120 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.978 1.453 -0.723 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.351 1.806 -1.351 1.00 0.00 H new ATOM 1179 N SER A 82 -2.112 2.748 3.698 1.00 0.00 N ATOM 1180 CA SER A 82 -1.354 2.795 4.943 1.00 0.00 C ATOM 1181 C SER A 82 -1.452 1.467 5.688 1.00 0.00 C ATOM 1182 O SER A 82 -2.490 1.140 6.262 1.00 0.00 O ATOM 1183 CB SER A 82 -1.862 3.931 5.832 1.00 0.00 C ATOM 1184 OG SER A 82 -0.964 4.184 6.899 1.00 0.00 O ATOM 0 H SER A 82 -3.107 2.944 3.803 1.00 0.00 H new ATOM 0 HA SER A 82 -0.308 2.977 4.697 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.988 4.835 5.236 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.843 3.674 6.231 1.00 0.00 H new ATOM 0 HG SER A 82 -1.224 5.011 7.356 1.00 0.00 H new ATOM 1190 N VAL A 83 -0.362 0.706 5.675 1.00 0.00 N ATOM 1191 CA VAL A 83 -0.323 -0.586 6.350 1.00 0.00 C ATOM 1192 C VAL A 83 0.599 -0.544 7.563 1.00 0.00 C ATOM 1193 O VAL A 83 1.819 -0.652 7.434 1.00 0.00 O ATOM 1194 CB VAL A 83 0.148 -1.702 5.399 1.00 0.00 C ATOM 1195 CG1 VAL A 83 -0.015 -3.065 6.054 1.00 0.00 C ATOM 1196 CG2 VAL A 83 -0.615 -1.639 4.084 1.00 0.00 C ATOM 0 H VAL A 83 0.506 0.962 5.204 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.340 -0.803 6.677 1.00 0.00 H new ATOM 0 HB VAL A 83 1.206 -1.551 5.186 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.323 -3.841 5.367 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.580 -3.104 6.967 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.065 -3.228 6.298 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.269 -2.435 3.424 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.681 -1.764 4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.442 -0.673 3.609 1.00 0.00 H new ATOM 1206 N LYS A 84 0.008 -0.388 8.743 1.00 0.00 N ATOM 1207 CA LYS A 84 0.775 -0.334 9.982 1.00 0.00 C ATOM 1208 C LYS A 84 0.688 -1.657 10.734 1.00 0.00 C ATOM 1209 O LYS A 84 -0.349 -2.321 10.724 1.00 0.00 O ATOM 1210 CB LYS A 84 0.269 0.805 10.870 1.00 0.00 C ATOM 1211 CG LYS A 84 0.367 2.174 10.220 1.00 0.00 C ATOM 1212 CD LYS A 84 -0.163 3.265 11.134 1.00 0.00 C ATOM 1213 CE LYS A 84 -0.712 4.440 10.340 1.00 0.00 C ATOM 1214 NZ LYS A 84 -1.780 5.163 11.085 1.00 0.00 N ATOM 0 H LYS A 84 -1.000 -0.297 8.867 1.00 0.00 H new ATOM 0 HA LYS A 84 1.819 -0.150 9.726 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.770 0.612 11.136 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.840 0.811 11.798 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.406 2.384 9.966 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.195 2.175 9.286 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.947 2.857 11.772 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.635 3.610 11.791 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.098 5.130 10.106 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.110 4.082 9.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.128 5.957 10.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.565 4.511 11.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.394 5.527 11.980 1.00 0.00 H new ATOM 1228 N TYR A 85 1.781 -2.035 11.387 1.00 0.00 N ATOM 1229 CA TYR A 85 1.827 -3.280 12.145 1.00 0.00 C ATOM 1230 C TYR A 85 1.945 -3.004 13.640 1.00 0.00 C ATOM 1231 O TYR A 85 3.047 -2.878 14.175 1.00 0.00 O ATOM 1232 CB TYR A 85 3.003 -4.141 11.679 1.00 0.00 C ATOM 1233 CG TYR A 85 3.281 -5.324 12.579 1.00 0.00 C ATOM 1234 CD1 TYR A 85 2.274 -5.880 13.359 1.00 0.00 C ATOM 1235 CD2 TYR A 85 4.550 -5.884 12.651 1.00 0.00 C ATOM 1236 CE1 TYR A 85 2.524 -6.960 14.184 1.00 0.00 C ATOM 1237 CE2 TYR A 85 4.808 -6.965 13.472 1.00 0.00 C ATOM 1238 CZ TYR A 85 3.792 -7.499 14.236 1.00 0.00 C ATOM 1239 OH TYR A 85 4.046 -8.575 15.056 1.00 0.00 O ATOM 0 H TYR A 85 2.647 -1.497 11.407 1.00 0.00 H new ATOM 0 HA TYR A 85 0.897 -3.819 11.967 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.801 -4.502 10.670 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.897 -3.520 11.622 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.279 -5.461 13.320 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.349 -5.467 12.055 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.731 -7.380 14.785 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.800 -7.389 13.515 1.00 0.00 H new ATOM 0 HH TYR A 85 4.988 -8.833 14.974 1.00 0.00 H new ATOM 1249 N ARG A 86 0.801 -2.912 14.311 1.00 0.00 N ATOM 1250 CA ARG A 86 0.775 -2.651 15.744 1.00 0.00 C ATOM 1251 C ARG A 86 1.383 -1.287 16.060 1.00 0.00 C ATOM 1252 O ARG A 86 1.906 -1.067 17.151 1.00 0.00 O ATOM 1253 CB ARG A 86 1.532 -3.745 16.498 1.00 0.00 C ATOM 1254 CG ARG A 86 0.888 -5.118 16.390 1.00 0.00 C ATOM 1255 CD ARG A 86 1.503 -6.101 17.373 1.00 0.00 C ATOM 1256 NE ARG A 86 0.550 -7.128 17.787 1.00 0.00 N ATOM 1257 CZ ARG A 86 0.882 -8.186 18.520 1.00 0.00 C ATOM 1258 NH1 ARG A 86 2.136 -8.354 18.917 1.00 0.00 N ATOM 1259 NH2 ARG A 86 -0.041 -9.077 18.857 1.00 0.00 N ATOM 0 H ARG A 86 -0.120 -3.015 13.884 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.266 -2.650 16.068 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.551 -3.800 16.115 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.602 -3.468 17.550 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.182 -5.035 16.579 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.004 -5.497 15.374 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.372 -6.575 16.916 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.859 -5.562 18.251 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.423 -7.028 17.498 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.848 -7.671 18.660 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.388 -9.167 19.479 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.007 -8.951 18.554 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.215 -9.889 19.419 1.00 0.00 H new ATOM 1273 N GLY A 87 1.310 -0.375 15.095 1.00 0.00 N ATOM 1274 CA GLY A 87 1.857 0.955 15.289 1.00 0.00 C ATOM 1275 C GLY A 87 3.218 1.121 14.644 1.00 0.00 C ATOM 1276 O GLY A 87 4.145 1.643 15.263 1.00 0.00 O ATOM 0 H GLY A 87 0.882 -0.534 14.183 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.169 1.692 14.874 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.937 1.160 16.357 1.00 0.00 H new ATOM 1280 N GLN A 88 3.339 0.676 13.397 1.00 0.00 N ATOM 1281 CA GLN A 88 4.599 0.777 12.669 1.00 0.00 C ATOM 1282 C GLN A 88 4.383 0.561 11.175 1.00 0.00 C ATOM 1283 O GLN A 88 3.993 -0.524 10.744 1.00 0.00 O ATOM 1284 CB GLN A 88 5.604 -0.245 13.204 1.00 0.00 C ATOM 1285 CG GLN A 88 6.113 0.076 14.600 1.00 0.00 C ATOM 1286 CD GLN A 88 7.445 -0.582 14.901 1.00 0.00 C ATOM 1287 OE1 GLN A 88 8.156 -1.015 13.993 1.00 0.00 O ATOM 1288 NE2 GLN A 88 7.791 -0.661 16.181 1.00 0.00 N ATOM 0 H GLN A 88 2.581 0.242 12.870 1.00 0.00 H new ATOM 0 HA GLN A 88 4.997 1.781 12.819 1.00 0.00 H new ATOM 0 HB2 GLN A 88 5.138 -1.230 13.214 1.00 0.00 H new ATOM 0 HB3 GLN A 88 6.452 -0.301 12.521 1.00 0.00 H new ATOM 0 HG2 GLN A 88 6.213 1.156 14.707 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.377 -0.250 15.335 1.00 0.00 H new ATOM 0 HE21 GLN A 88 7.171 -0.289 16.901 1.00 0.00 H new ATOM 0 HE22 GLN A 88 8.676 -1.094 16.444 1.00 0.00 H new ATOM 1297 N HIS A 89 4.638 1.602 10.389 1.00 0.00 N ATOM 1298 CA HIS A 89 4.472 1.527 8.942 1.00 0.00 C ATOM 1299 C HIS A 89 5.385 0.460 8.345 1.00 0.00 C ATOM 1300 O HIS A 89 6.591 0.668 8.207 1.00 0.00 O ATOM 1301 CB HIS A 89 4.766 2.884 8.302 1.00 0.00 C ATOM 1302 CG HIS A 89 3.624 3.848 8.391 1.00 0.00 C ATOM 1303 ND1 HIS A 89 2.748 4.077 7.351 1.00 0.00 N ATOM 1304 CD2 HIS A 89 3.215 4.644 9.407 1.00 0.00 C ATOM 1305 CE1 HIS A 89 1.851 4.973 7.722 1.00 0.00 C ATOM 1306 NE2 HIS A 89 2.112 5.333 8.965 1.00 0.00 N ATOM 0 H HIS A 89 4.960 2.508 10.730 1.00 0.00 H new ATOM 0 HA HIS A 89 3.438 1.253 8.734 1.00 0.00 H new ATOM 0 HB2 HIS A 89 5.639 3.323 8.785 1.00 0.00 H new ATOM 0 HB3 HIS A 89 5.023 2.734 7.253 1.00 0.00 H new ATOM 0 HD1 HIS A 89 2.787 3.625 6.437 1.00 0.00 H new ATOM 0 HD2 HIS A 89 3.671 4.723 10.383 1.00 0.00 H new ATOM 0 HE1 HIS A 89 1.042 5.347 7.112 1.00 0.00 H new ATOM 1314 N VAL A 90 4.803 -0.682 7.994 1.00 0.00 N ATOM 1315 CA VAL A 90 5.564 -1.780 7.411 1.00 0.00 C ATOM 1316 C VAL A 90 6.491 -1.283 6.308 1.00 0.00 C ATOM 1317 O VAL A 90 6.461 -0.108 5.938 1.00 0.00 O ATOM 1318 CB VAL A 90 4.634 -2.864 6.835 1.00 0.00 C ATOM 1319 CG1 VAL A 90 3.806 -3.500 7.941 1.00 0.00 C ATOM 1320 CG2 VAL A 90 3.737 -2.278 5.756 1.00 0.00 C ATOM 0 H VAL A 90 3.807 -0.871 8.103 1.00 0.00 H new ATOM 0 HA VAL A 90 6.160 -2.212 8.215 1.00 0.00 H new ATOM 0 HB VAL A 90 5.249 -3.642 6.381 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.155 -4.263 7.515 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.469 -3.957 8.675 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.199 -2.736 8.427 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.087 -3.058 5.360 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.129 -1.480 6.182 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.352 -1.875 4.951 1.00 0.00 H new ATOM 1330 N THR A 91 7.316 -2.184 5.783 1.00 0.00 N ATOM 1331 CA THR A 91 8.252 -1.837 4.722 1.00 0.00 C ATOM 1332 C THR A 91 7.520 -1.322 3.489 1.00 0.00 C ATOM 1333 O THR A 91 6.478 -1.853 3.106 1.00 0.00 O ATOM 1334 CB THR A 91 9.120 -3.045 4.322 1.00 0.00 C ATOM 1335 OG1 THR A 91 9.776 -3.582 5.476 1.00 0.00 O ATOM 1336 CG2 THR A 91 10.158 -2.646 3.283 1.00 0.00 C ATOM 0 H THR A 91 7.354 -3.160 6.076 1.00 0.00 H new ATOM 0 HA THR A 91 8.896 -1.050 5.114 1.00 0.00 H new ATOM 0 HB THR A 91 8.468 -3.804 3.889 1.00 0.00 H new ATOM 0 HG1 THR A 91 10.324 -4.351 5.213 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.759 -3.516 3.016 1.00 0.00 H new ATOM 0 HG22 THR A 91 9.655 -2.266 2.394 1.00 0.00 H new ATOM 0 HG23 THR A 91 10.805 -1.870 3.694 1.00 0.00 H new ATOM 1344 N GLY A 92 8.072 -0.283 2.869 1.00 0.00 N ATOM 1345 CA GLY A 92 7.457 0.287 1.685 1.00 0.00 C ATOM 1346 C GLY A 92 6.111 0.921 1.978 1.00 0.00 C ATOM 1347 O GLY A 92 5.322 1.169 1.066 1.00 0.00 O ATOM 0 H GLY A 92 8.934 0.174 3.166 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.123 1.037 1.259 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.332 -0.492 0.933 1.00 0.00 H new ATOM 1351 N SER A 93 5.847 1.183 3.254 1.00 0.00 N ATOM 1352 CA SER A 93 4.586 1.787 3.666 1.00 0.00 C ATOM 1353 C SER A 93 4.792 3.236 4.097 1.00 0.00 C ATOM 1354 O SER A 93 5.797 3.589 4.714 1.00 0.00 O ATOM 1355 CB SER A 93 3.962 0.986 4.810 1.00 0.00 C ATOM 1356 OG SER A 93 2.547 1.059 4.772 1.00 0.00 O ATOM 0 H SER A 93 6.490 0.986 4.021 1.00 0.00 H new ATOM 0 HA SER A 93 3.909 1.774 2.812 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.277 -0.055 4.743 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.323 1.368 5.765 1.00 0.00 H new ATOM 0 HG SER A 93 2.245 1.834 5.290 1.00 0.00 H new ATOM 1362 N PRO A 94 3.817 4.095 3.765 1.00 0.00 N ATOM 1363 CA PRO A 94 2.617 3.686 3.030 1.00 0.00 C ATOM 1364 C PRO A 94 2.921 3.319 1.582 1.00 0.00 C ATOM 1365 O PRO A 94 4.037 3.517 1.102 1.00 0.00 O ATOM 1366 CB PRO A 94 1.723 4.927 3.091 1.00 0.00 C ATOM 1367 CG PRO A 94 2.668 6.066 3.265 1.00 0.00 C ATOM 1368 CD PRO A 94 3.813 5.534 4.081 1.00 0.00 C ATOM 0 HA PRO A 94 2.161 2.794 3.459 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.135 5.036 2.180 1.00 0.00 H new ATOM 0 HB3 PRO A 94 1.018 4.867 3.920 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.015 6.436 2.300 1.00 0.00 H new ATOM 0 HG3 PRO A 94 2.183 6.901 3.771 1.00 0.00 H new ATOM 0 HD2 PRO A 94 4.756 6.008 3.808 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.664 5.711 5.146 1.00 0.00 H new ATOM 1376 N PHE A 95 1.921 2.783 0.890 1.00 0.00 N ATOM 1377 CA PHE A 95 2.082 2.387 -0.504 1.00 0.00 C ATOM 1378 C PHE A 95 1.365 3.364 -1.433 1.00 0.00 C ATOM 1379 O PHE A 95 0.299 3.882 -1.101 1.00 0.00 O ATOM 1380 CB PHE A 95 1.542 0.972 -0.721 1.00 0.00 C ATOM 1381 CG PHE A 95 2.325 -0.085 0.004 1.00 0.00 C ATOM 1382 CD1 PHE A 95 3.534 -0.538 -0.499 1.00 0.00 C ATOM 1383 CD2 PHE A 95 1.852 -0.626 1.189 1.00 0.00 C ATOM 1384 CE1 PHE A 95 4.257 -1.510 0.166 1.00 0.00 C ATOM 1385 CE2 PHE A 95 2.571 -1.598 1.858 1.00 0.00 C ATOM 1386 CZ PHE A 95 3.774 -2.042 1.346 1.00 0.00 C ATOM 0 H PHE A 95 0.991 2.613 1.272 1.00 0.00 H new ATOM 0 HA PHE A 95 3.146 2.402 -0.739 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.503 0.933 -0.392 1.00 0.00 H new ATOM 0 HB3 PHE A 95 1.547 0.749 -1.788 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.916 -0.127 -1.422 1.00 0.00 H new ATOM 0 HD2 PHE A 95 0.911 -0.284 1.594 1.00 0.00 H new ATOM 0 HE1 PHE A 95 5.199 -1.853 -0.236 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.192 -2.010 2.781 1.00 0.00 H new ATOM 0 HZ PHE A 95 4.336 -2.803 1.867 1.00 0.00 H new ATOM 1396 N GLN A 96 1.960 3.610 -2.595 1.00 0.00 N ATOM 1397 CA GLN A 96 1.380 4.526 -3.571 1.00 0.00 C ATOM 1398 C GLN A 96 1.271 3.864 -4.941 1.00 0.00 C ATOM 1399 O GLN A 96 2.229 3.265 -5.430 1.00 0.00 O ATOM 1400 CB GLN A 96 2.223 5.798 -3.672 1.00 0.00 C ATOM 1401 CG GLN A 96 1.799 6.887 -2.699 1.00 0.00 C ATOM 1402 CD GLN A 96 2.872 7.940 -2.499 1.00 0.00 C ATOM 1403 OE1 GLN A 96 3.964 7.645 -2.013 1.00 0.00 O ATOM 1404 NE2 GLN A 96 2.565 9.177 -2.872 1.00 0.00 N ATOM 0 H GLN A 96 2.843 3.189 -2.884 1.00 0.00 H new ATOM 0 HA GLN A 96 0.377 4.789 -3.234 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.268 5.547 -3.491 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.160 6.186 -4.689 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.891 7.364 -3.067 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.555 6.435 -1.738 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.648 9.377 -3.270 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.247 9.927 -2.760 1.00 0.00 H new ATOM 1413 N PHE A 97 0.098 3.975 -5.555 1.00 0.00 N ATOM 1414 CA PHE A 97 -0.137 3.386 -6.868 1.00 0.00 C ATOM 1415 C PHE A 97 -1.188 4.179 -7.639 1.00 0.00 C ATOM 1416 O PHE A 97 -2.219 4.567 -7.088 1.00 0.00 O ATOM 1417 CB PHE A 97 -0.583 1.930 -6.725 1.00 0.00 C ATOM 1418 CG PHE A 97 -1.949 1.779 -6.119 1.00 0.00 C ATOM 1419 CD1 PHE A 97 -3.081 1.787 -6.919 1.00 0.00 C ATOM 1420 CD2 PHE A 97 -2.102 1.629 -4.750 1.00 0.00 C ATOM 1421 CE1 PHE A 97 -4.340 1.647 -6.364 1.00 0.00 C ATOM 1422 CE2 PHE A 97 -3.358 1.489 -4.190 1.00 0.00 C ATOM 1423 CZ PHE A 97 -4.478 1.499 -4.998 1.00 0.00 C ATOM 0 H PHE A 97 -0.705 4.468 -5.164 1.00 0.00 H new ATOM 0 HA PHE A 97 0.799 3.418 -7.426 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.576 1.458 -7.707 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.140 1.395 -6.109 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.979 1.904 -7.988 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.230 1.621 -4.113 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.214 1.653 -6.998 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.463 1.372 -3.122 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.460 1.391 -4.562 1.00 0.00 H new ATOM 1433 N THR A 98 -0.920 4.417 -8.919 1.00 0.00 N ATOM 1434 CA THR A 98 -1.840 5.164 -9.767 1.00 0.00 C ATOM 1435 C THR A 98 -2.901 4.249 -10.367 1.00 0.00 C ATOM 1436 O THR A 98 -2.605 3.132 -10.790 1.00 0.00 O ATOM 1437 CB THR A 98 -1.095 5.883 -10.908 1.00 0.00 C ATOM 1438 OG1 THR A 98 -0.063 6.717 -10.369 1.00 0.00 O ATOM 1439 CG2 THR A 98 -2.054 6.725 -11.734 1.00 0.00 C ATOM 0 H THR A 98 -0.072 4.103 -9.391 1.00 0.00 H new ATOM 0 HA THR A 98 -2.322 5.907 -9.132 1.00 0.00 H new ATOM 0 HB THR A 98 -0.650 5.127 -11.555 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.407 7.169 -11.100 1.00 0.00 H new ATOM 0 HG21 THR A 98 -1.505 7.223 -12.533 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.822 6.083 -12.166 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.524 7.473 -11.096 1.00 0.00 H new ATOM 1447 N VAL A 99 -4.140 4.730 -10.401 1.00 0.00 N ATOM 1448 CA VAL A 99 -5.246 3.956 -10.950 1.00 0.00 C ATOM 1449 C VAL A 99 -5.587 4.412 -12.364 1.00 0.00 C ATOM 1450 O VAL A 99 -5.345 5.561 -12.733 1.00 0.00 O ATOM 1451 CB VAL A 99 -6.504 4.069 -10.069 1.00 0.00 C ATOM 1452 CG1 VAL A 99 -7.607 3.162 -10.592 1.00 0.00 C ATOM 1453 CG2 VAL A 99 -6.171 3.738 -8.622 1.00 0.00 C ATOM 0 H VAL A 99 -4.402 5.653 -10.054 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.922 2.916 -10.974 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.864 5.097 -10.110 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.487 3.256 -9.956 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.863 3.451 -11.611 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -7.262 2.128 -10.584 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.071 3.823 -8.013 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.786 2.720 -8.561 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.417 4.434 -8.254 1.00 0.00 H new ATOM 1463 N GLY A 100 -6.153 3.504 -13.154 1.00 0.00 N ATOM 1464 CA GLY A 100 -6.519 3.832 -14.519 1.00 0.00 C ATOM 1465 C GLY A 100 -7.891 3.309 -14.893 1.00 0.00 C ATOM 1466 O GLY A 100 -8.345 2.280 -14.391 1.00 0.00 O ATOM 0 H GLY A 100 -6.364 2.547 -12.872 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -6.499 4.914 -14.647 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.777 3.416 -15.201 1.00 0.00 H new ATOM 1470 N PRO A 101 -8.578 4.027 -15.794 1.00 0.00 N ATOM 1471 CA PRO A 101 -9.917 3.649 -16.254 1.00 0.00 C ATOM 1472 C PRO A 101 -9.900 2.396 -17.122 1.00 0.00 C ATOM 1473 O PRO A 101 -8.880 2.061 -17.727 1.00 0.00 O ATOM 1474 CB PRO A 101 -10.366 4.861 -17.074 1.00 0.00 C ATOM 1475 CG PRO A 101 -9.100 5.499 -17.531 1.00 0.00 C ATOM 1476 CD PRO A 101 -8.098 5.264 -16.434 1.00 0.00 C ATOM 0 HA PRO A 101 -10.580 3.410 -15.423 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.985 4.560 -17.919 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -10.961 5.548 -16.472 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.760 5.063 -18.470 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -9.242 6.565 -17.708 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.089 5.147 -16.829 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.070 6.096 -15.730 1.00 0.00 H new ATOM 1484 N LEU A 102 -11.034 1.706 -17.180 1.00 0.00 N ATOM 1485 CA LEU A 102 -11.149 0.488 -17.975 1.00 0.00 C ATOM 1486 C LEU A 102 -11.274 0.817 -19.459 1.00 0.00 C ATOM 1487 O LEU A 102 -12.275 1.382 -19.898 1.00 0.00 O ATOM 1488 CB LEU A 102 -12.358 -0.330 -17.518 1.00 0.00 C ATOM 1489 CG LEU A 102 -12.348 -1.811 -17.899 1.00 0.00 C ATOM 1490 CD1 LEU A 102 -13.206 -2.615 -16.934 1.00 0.00 C ATOM 1491 CD2 LEU A 102 -12.833 -1.998 -19.329 1.00 0.00 C ATOM 0 H LEU A 102 -11.887 1.969 -16.686 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.243 -0.101 -17.827 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -12.433 -0.255 -16.433 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -13.257 0.125 -17.932 1.00 0.00 H new ATOM 0 HG LEU A 102 -11.323 -2.176 -17.834 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -13.187 -3.667 -17.220 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -12.814 -2.507 -15.922 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -14.232 -2.248 -16.967 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.819 -3.058 -19.582 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -13.850 -1.616 -19.421 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -12.178 -1.454 -20.009 1.00 0.00 H new ATOM 1503 N GLY A 103 -10.251 0.457 -20.228 1.00 0.00 N ATOM 1504 CA GLY A 103 -10.267 0.720 -21.655 1.00 0.00 C ATOM 1505 C GLY A 103 -9.012 0.228 -22.350 1.00 0.00 C ATOM 1506 O GLY A 103 -7.918 0.730 -22.095 1.00 0.00 O ATOM 0 H GLY A 103 -9.411 -0.012 -19.888 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -11.138 0.238 -22.100 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -10.375 1.792 -21.823 1.00 0.00 H new ATOM 1510 N GLU A 104 -9.171 -0.758 -23.228 1.00 0.00 N ATOM 1511 CA GLU A 104 -8.041 -1.319 -23.958 1.00 0.00 C ATOM 1512 C GLU A 104 -7.700 -0.462 -25.174 1.00 0.00 C ATOM 1513 O GLU A 104 -8.548 -0.215 -26.031 1.00 0.00 O ATOM 1514 CB GLU A 104 -8.350 -2.751 -24.400 1.00 0.00 C ATOM 1515 CG GLU A 104 -8.604 -3.703 -23.244 1.00 0.00 C ATOM 1516 CD GLU A 104 -8.989 -5.094 -23.707 1.00 0.00 C ATOM 1517 OE1 GLU A 104 -10.106 -5.252 -24.243 1.00 0.00 O ATOM 1518 OE2 GLU A 104 -8.174 -6.025 -23.534 1.00 0.00 O ATOM 0 H GLU A 104 -10.071 -1.184 -23.450 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.180 -1.331 -23.290 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.225 -2.741 -25.050 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -7.516 -3.127 -24.993 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.708 -3.765 -22.626 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -9.398 -3.301 -22.615 1.00 0.00 H new ATOM 1525 N GLY A 105 -6.451 -0.010 -25.241 1.00 0.00 N ATOM 1526 CA GLY A 105 -6.019 0.814 -26.355 1.00 0.00 C ATOM 1527 C GLY A 105 -6.924 2.010 -26.576 1.00 0.00 C ATOM 1528 O GLY A 105 -7.724 2.360 -25.709 1.00 0.00 O ATOM 0 H GLY A 105 -5.731 -0.200 -24.544 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -5.002 1.161 -26.174 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.993 0.209 -27.262 1.00 0.00 H new ATOM 1532 N GLY A 106 -6.797 2.640 -27.740 1.00 0.00 N ATOM 1533 CA GLY A 106 -7.614 3.798 -28.050 1.00 0.00 C ATOM 1534 C GLY A 106 -9.032 3.421 -28.434 1.00 0.00 C ATOM 1535 O GLY A 106 -9.980 4.137 -28.113 1.00 0.00 O ATOM 0 H GLY A 106 -6.143 2.369 -28.474 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.639 4.463 -27.187 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -7.155 4.354 -28.867 1.00 0.00 H new TER 1539 GLY A 106