USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 821 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 72 TYR OH : rot 23:sc= 0.28 USER MOD Set 1.2: A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 68 GLN : amide:sc= -0.0542 K(o=-0.2,f=-1.6!) USER MOD Set 2.2: A 70 CYS SG : rot -76:sc= -0.143 USER MOD Set 3.1: A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 65 CYS SG : rot 100:sc= -2.61! USER MOD Set 4.1: A 19 HIS : no HE2:sc= -3.44 K(o=-3.6,f=-6.1!) USER MOD Set 4.2: A 82 TYR OH : rot 7:sc= -0.191 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 44:sc= 0.4 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.217 USER MOD Single : A 9 SER OG : rot 107:sc= 0.506 USER MOD Single : A 10 GLN : amide:sc= -0.0236 X(o=-0.024,f=-0.11) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.283 USER MOD Single : A 42 GLN : amide:sc= -0.013 K(o=-0.013,f=-1.7) USER MOD Single : A 45 LYS NZ :NH3+ -154:sc= -0.51 (180deg=-1.33!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.951 K(o=-0.95,f=-4.8!) USER MOD Single : A 57 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.8!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -162:sc= -0.034 (180deg=-0.365) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -146:sc= -4.88! (180deg=-10.8!) USER MOD Single : A 73 LYS NZ :NH3+ 166:sc= -0.401 (180deg=-0.776) USER MOD Single : A 76 GLN : amide:sc= -1.47 K(o=-1.5,f=-5.9!) USER MOD Single : A 77 LYS NZ :NH3+ -155:sc= -1.52 (180deg=-2.57!) USER MOD Single : A 83 SER OG : rot 27:sc= 0.557 USER MOD Single : A 87 GLN : amide:sc= -0.108 K(o=-0.11,f=-1.5!) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 166:sc= -0.0254 (180deg=-0.358) USER MOD Single : A 99 SER OG : rot 52:sc= 0.0975 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.814 -26.574 9.343 1.00 0.00 N ATOM 2 CA GLY A 1 10.332 -25.296 8.753 1.00 0.00 C ATOM 3 C GLY A 1 8.820 -25.223 8.682 1.00 0.00 C ATOM 4 O GLY A 1 8.183 -26.037 8.011 1.00 0.00 O ATOM 0 H1 GLY A 1 11.854 -26.574 9.369 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.443 -26.672 10.310 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.482 -27.371 8.763 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.705 -24.462 9.347 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.745 -25.184 7.751 1.00 0.00 H new ATOM 10 N SER A 2 8.242 -24.248 9.375 1.00 0.00 N ATOM 11 CA SER A 2 6.795 -24.073 9.390 1.00 0.00 C ATOM 12 C SER A 2 6.400 -22.758 8.723 1.00 0.00 C ATOM 13 O SER A 2 7.131 -21.771 8.795 1.00 0.00 O ATOM 14 CB SER A 2 6.269 -24.108 10.826 1.00 0.00 C ATOM 15 OG SER A 2 6.620 -25.322 11.468 1.00 0.00 O ATOM 0 H SER A 2 8.754 -23.566 9.934 1.00 0.00 H new ATOM 0 HA SER A 2 6.349 -24.894 8.828 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.675 -23.266 11.386 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.185 -23.995 10.822 1.00 0.00 H new ATOM 0 HG SER A 2 6.274 -25.319 12.385 1.00 0.00 H new ATOM 21 N SER A 3 5.239 -22.754 8.077 1.00 0.00 N ATOM 22 CA SER A 3 4.746 -21.561 7.398 1.00 0.00 C ATOM 23 C SER A 3 3.257 -21.685 7.092 1.00 0.00 C ATOM 24 O SER A 3 2.752 -22.781 6.847 1.00 0.00 O ATOM 25 CB SER A 3 5.528 -21.327 6.104 1.00 0.00 C ATOM 26 OG SER A 3 6.561 -20.376 6.297 1.00 0.00 O ATOM 0 H SER A 3 4.622 -23.563 8.009 1.00 0.00 H new ATOM 0 HA SER A 3 4.891 -20.709 8.062 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.956 -22.268 5.759 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.851 -20.980 5.324 1.00 0.00 H new ATOM 0 HG SER A 3 7.021 -20.560 7.143 1.00 0.00 H new ATOM 32 N GLY A 4 2.559 -20.554 7.108 1.00 0.00 N ATOM 33 CA GLY A 4 1.135 -20.558 6.831 1.00 0.00 C ATOM 34 C GLY A 4 0.654 -19.246 6.242 1.00 0.00 C ATOM 35 O GLY A 4 0.794 -18.192 6.862 1.00 0.00 O ATOM 0 H GLY A 4 2.954 -19.635 7.308 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.905 -21.369 6.140 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.589 -20.760 7.753 1.00 0.00 H new ATOM 39 N SER A 5 0.085 -19.311 5.042 1.00 0.00 N ATOM 40 CA SER A 5 -0.418 -18.119 4.369 1.00 0.00 C ATOM 41 C SER A 5 -1.346 -18.496 3.219 1.00 0.00 C ATOM 42 O SER A 5 -1.456 -19.667 2.855 1.00 0.00 O ATOM 43 CB SER A 5 0.745 -17.274 3.846 1.00 0.00 C ATOM 44 OG SER A 5 0.475 -15.890 3.991 1.00 0.00 O ATOM 0 H SER A 5 -0.039 -20.176 4.516 1.00 0.00 H new ATOM 0 HA SER A 5 -0.985 -17.534 5.093 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.656 -17.529 4.387 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.923 -17.505 2.796 1.00 0.00 H new ATOM 0 HG SER A 5 1.234 -15.371 3.651 1.00 0.00 H new ATOM 50 N SER A 6 -2.012 -17.496 2.649 1.00 0.00 N ATOM 51 CA SER A 6 -2.931 -17.723 1.541 1.00 0.00 C ATOM 52 C SER A 6 -3.258 -16.416 0.826 1.00 0.00 C ATOM 53 O SER A 6 -2.755 -16.152 -0.268 1.00 0.00 O ATOM 54 CB SER A 6 -4.219 -18.378 2.043 1.00 0.00 C ATOM 55 OG SER A 6 -4.791 -17.632 3.103 1.00 0.00 O ATOM 0 H SER A 6 -1.932 -16.521 2.937 1.00 0.00 H new ATOM 0 HA SER A 6 -2.444 -18.392 0.832 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.933 -18.458 1.224 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.007 -19.392 2.381 1.00 0.00 H new ATOM 0 HG SER A 6 -5.614 -18.071 3.405 1.00 0.00 H new ATOM 61 N GLY A 7 -4.102 -15.600 1.449 1.00 0.00 N ATOM 62 CA GLY A 7 -4.480 -14.330 0.857 1.00 0.00 C ATOM 63 C GLY A 7 -3.404 -13.273 1.010 1.00 0.00 C ATOM 64 O GLY A 7 -2.338 -13.540 1.565 1.00 0.00 O ATOM 0 H GLY A 7 -4.531 -15.796 2.353 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.693 -14.476 -0.202 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.400 -13.976 1.321 1.00 0.00 H new ATOM 68 N VAL A 8 -3.685 -12.070 0.517 1.00 0.00 N ATOM 69 CA VAL A 8 -2.736 -10.965 0.599 1.00 0.00 C ATOM 70 C VAL A 8 -1.528 -11.206 -0.301 1.00 0.00 C ATOM 71 O VAL A 8 -1.323 -10.495 -1.284 1.00 0.00 O ATOM 72 CB VAL A 8 -2.249 -10.742 2.044 1.00 0.00 C ATOM 73 CG1 VAL A 8 -1.438 -9.459 2.143 1.00 0.00 C ATOM 74 CG2 VAL A 8 -3.426 -10.713 3.006 1.00 0.00 C ATOM 0 H VAL A 8 -4.564 -11.836 0.056 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.265 -10.074 0.262 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.603 -11.575 2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.103 -9.319 3.171 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.572 -9.524 1.485 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.057 -8.613 1.845 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.062 -10.555 4.021 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.100 -9.902 2.731 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.960 -11.662 2.956 1.00 0.00 H new ATOM 84 N SER A 9 -0.732 -12.213 0.042 1.00 0.00 N ATOM 85 CA SER A 9 0.456 -12.548 -0.734 1.00 0.00 C ATOM 86 C SER A 9 0.094 -12.863 -2.182 1.00 0.00 C ATOM 87 O SER A 9 0.895 -12.654 -3.093 1.00 0.00 O ATOM 88 CB SER A 9 1.179 -13.742 -0.107 1.00 0.00 C ATOM 89 OG SER A 9 2.526 -13.809 -0.543 1.00 0.00 O ATOM 0 H SER A 9 -0.888 -12.812 0.853 1.00 0.00 H new ATOM 0 HA SER A 9 1.119 -11.683 -0.726 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.149 -13.660 0.979 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.662 -14.664 -0.371 1.00 0.00 H new ATOM 0 HG SER A 9 3.120 -13.533 0.186 1.00 0.00 H new ATOM 95 N GLN A 10 -1.119 -13.368 -2.389 1.00 0.00 N ATOM 96 CA GLN A 10 -1.586 -13.711 -3.727 1.00 0.00 C ATOM 97 C GLN A 10 -1.973 -12.459 -4.507 1.00 0.00 C ATOM 98 O GLN A 10 -1.692 -12.347 -5.700 1.00 0.00 O ATOM 99 CB GLN A 10 -2.779 -14.665 -3.644 1.00 0.00 C ATOM 100 CG GLN A 10 -2.832 -15.672 -4.782 1.00 0.00 C ATOM 101 CD GLN A 10 -1.800 -16.773 -4.633 1.00 0.00 C ATOM 102 OE1 GLN A 10 -0.688 -16.671 -5.152 1.00 0.00 O ATOM 103 NE2 GLN A 10 -2.164 -17.834 -3.923 1.00 0.00 N ATOM 0 H GLN A 10 -1.795 -13.548 -1.647 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.770 -14.206 -4.254 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.739 -15.202 -2.696 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.700 -14.082 -3.642 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.827 -16.115 -4.825 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.672 -15.155 -5.728 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.096 -17.876 -3.511 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.512 -18.607 -3.790 1.00 0.00 H new ATOM 112 N ARG A 11 -2.622 -11.519 -3.826 1.00 0.00 N ATOM 113 CA ARG A 11 -3.049 -10.276 -4.456 1.00 0.00 C ATOM 114 C ARG A 11 -1.854 -9.514 -5.024 1.00 0.00 C ATOM 115 O ARG A 11 -0.720 -9.704 -4.584 1.00 0.00 O ATOM 116 CB ARG A 11 -3.795 -9.399 -3.449 1.00 0.00 C ATOM 117 CG ARG A 11 -4.993 -10.087 -2.814 1.00 0.00 C ATOM 118 CD ARG A 11 -6.272 -9.812 -3.590 1.00 0.00 C ATOM 119 NE ARG A 11 -7.214 -8.999 -2.826 1.00 0.00 N ATOM 120 CZ ARG A 11 -8.449 -8.716 -3.231 1.00 0.00 C ATOM 121 NH1 ARG A 11 -8.896 -9.178 -4.393 1.00 0.00 N ATOM 122 NH2 ARG A 11 -9.240 -7.968 -2.474 1.00 0.00 N ATOM 0 H ARG A 11 -2.863 -11.595 -2.838 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.721 -10.527 -5.277 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.104 -9.093 -2.664 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.131 -8.491 -3.949 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.816 -11.162 -2.772 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.109 -9.742 -1.786 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.027 -9.303 -4.522 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.744 -10.758 -3.857 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.907 -8.626 -1.928 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.291 -9.753 -4.980 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.844 -8.958 -4.699 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.901 -7.610 -1.581 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.187 -7.751 -2.785 1.00 0.00 H new ATOM 136 N PRO A 12 -2.093 -8.638 -6.016 1.00 0.00 N ATOM 137 CA PRO A 12 -1.031 -7.846 -6.646 1.00 0.00 C ATOM 138 C PRO A 12 -0.171 -7.111 -5.622 1.00 0.00 C ATOM 139 O PRO A 12 -0.375 -7.243 -4.416 1.00 0.00 O ATOM 140 CB PRO A 12 -1.799 -6.848 -7.514 1.00 0.00 C ATOM 141 CG PRO A 12 -3.090 -7.526 -7.815 1.00 0.00 C ATOM 142 CD PRO A 12 -3.417 -8.352 -6.601 1.00 0.00 C ATOM 0 HA PRO A 12 -0.335 -8.470 -7.206 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.959 -5.907 -6.988 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.252 -6.614 -8.427 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.876 -6.798 -8.015 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.004 -8.153 -8.702 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.055 -7.808 -5.905 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.945 -9.268 -6.868 1.00 0.00 H new ATOM 150 N PHE A 13 0.791 -6.338 -6.115 1.00 0.00 N ATOM 151 CA PHE A 13 1.684 -5.581 -5.244 1.00 0.00 C ATOM 152 C PHE A 13 1.147 -4.173 -5.004 1.00 0.00 C ATOM 153 O PHE A 13 1.372 -3.586 -3.945 1.00 0.00 O ATOM 154 CB PHE A 13 3.084 -5.507 -5.857 1.00 0.00 C ATOM 155 CG PHE A 13 4.098 -4.854 -4.961 1.00 0.00 C ATOM 156 CD1 PHE A 13 4.679 -5.561 -3.920 1.00 0.00 C ATOM 157 CD2 PHE A 13 4.470 -3.534 -5.160 1.00 0.00 C ATOM 158 CE1 PHE A 13 5.612 -4.964 -3.094 1.00 0.00 C ATOM 159 CE2 PHE A 13 5.403 -2.932 -4.338 1.00 0.00 C ATOM 160 CZ PHE A 13 5.975 -3.647 -3.303 1.00 0.00 C ATOM 0 H PHE A 13 0.972 -6.219 -7.112 1.00 0.00 H new ATOM 0 HA PHE A 13 1.740 -6.097 -4.285 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.420 -6.516 -6.098 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.032 -4.956 -6.796 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.399 -6.591 -3.753 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.026 -2.970 -5.967 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.057 -5.526 -2.286 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.685 -1.903 -4.504 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.704 -3.178 -2.659 1.00 0.00 H new ATOM 170 N ARG A 14 0.439 -3.639 -5.992 1.00 0.00 N ATOM 171 CA ARG A 14 -0.131 -2.300 -5.888 1.00 0.00 C ATOM 172 C ARG A 14 -1.189 -2.241 -4.791 1.00 0.00 C ATOM 173 O ARG A 14 -1.288 -1.253 -4.064 1.00 0.00 O ATOM 174 CB ARG A 14 -0.741 -1.879 -7.225 1.00 0.00 C ATOM 175 CG ARG A 14 -0.563 -0.402 -7.538 1.00 0.00 C ATOM 176 CD ARG A 14 -1.324 -0.002 -8.790 1.00 0.00 C ATOM 177 NE ARG A 14 -2.686 0.431 -8.488 1.00 0.00 N ATOM 178 CZ ARG A 14 -3.665 0.480 -9.389 1.00 0.00 C ATOM 179 NH1 ARG A 14 -3.438 0.127 -10.648 1.00 0.00 N ATOM 180 NH2 ARG A 14 -4.875 0.886 -9.029 1.00 0.00 N ATOM 0 H ARG A 14 0.245 -4.112 -6.875 1.00 0.00 H new ATOM 0 HA ARG A 14 0.672 -1.610 -5.629 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.288 -2.468 -8.023 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.805 -2.115 -7.219 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.910 0.194 -6.694 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.496 -0.182 -7.669 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.791 0.803 -9.296 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.356 -0.846 -9.480 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.899 0.712 -7.531 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.509 -0.184 -10.931 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.193 0.167 -11.333 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.055 1.160 -8.063 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.626 0.924 -9.718 1.00 0.00 H new ATOM 194 N ASP A 15 -1.976 -3.305 -4.677 1.00 0.00 N ATOM 195 CA ASP A 15 -3.028 -3.374 -3.669 1.00 0.00 C ATOM 196 C ASP A 15 -2.441 -3.632 -2.285 1.00 0.00 C ATOM 197 O ASP A 15 -2.960 -3.146 -1.280 1.00 0.00 O ATOM 198 CB ASP A 15 -4.032 -4.473 -4.024 1.00 0.00 C ATOM 199 CG ASP A 15 -4.778 -4.180 -5.311 1.00 0.00 C ATOM 200 OD1 ASP A 15 -5.763 -3.413 -5.264 1.00 0.00 O ATOM 201 OD2 ASP A 15 -4.379 -4.719 -6.364 1.00 0.00 O ATOM 0 H ASP A 15 -1.906 -4.132 -5.270 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.543 -2.413 -3.651 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.507 -5.424 -4.120 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.748 -4.584 -3.210 1.00 0.00 H new ATOM 206 N ARG A 16 -1.358 -4.400 -2.240 1.00 0.00 N ATOM 207 CA ARG A 16 -0.702 -4.724 -0.978 1.00 0.00 C ATOM 208 C ARG A 16 -0.231 -3.458 -0.268 1.00 0.00 C ATOM 209 O ARG A 16 -0.386 -3.322 0.945 1.00 0.00 O ATOM 210 CB ARG A 16 0.485 -5.659 -1.221 1.00 0.00 C ATOM 211 CG ARG A 16 0.132 -7.133 -1.105 1.00 0.00 C ATOM 212 CD ARG A 16 0.911 -7.976 -2.104 1.00 0.00 C ATOM 213 NE ARG A 16 1.840 -8.890 -1.442 1.00 0.00 N ATOM 214 CZ ARG A 16 2.870 -9.470 -2.053 1.00 0.00 C ATOM 215 NH1 ARG A 16 3.106 -9.236 -3.339 1.00 0.00 N ATOM 216 NH2 ARG A 16 3.666 -10.288 -1.378 1.00 0.00 N ATOM 0 H ARG A 16 -0.916 -4.810 -3.063 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.427 -5.228 -0.339 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.890 -5.468 -2.215 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.273 -5.425 -0.505 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.343 -7.480 -0.093 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.937 -7.266 -1.271 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.214 -8.548 -2.717 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.464 -7.321 -2.777 1.00 0.00 H new ATOM 0 HE ARG A 16 1.690 -9.095 -0.454 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.496 -8.609 -3.864 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.897 -9.683 -3.802 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.489 -10.473 -0.391 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.456 -10.733 -1.846 1.00 0.00 H new ATOM 230 N VAL A 17 0.345 -2.536 -1.032 1.00 0.00 N ATOM 231 CA VAL A 17 0.838 -1.282 -0.476 1.00 0.00 C ATOM 232 C VAL A 17 -0.263 -0.228 -0.435 1.00 0.00 C ATOM 233 O VAL A 17 -0.336 0.573 0.497 1.00 0.00 O ATOM 234 CB VAL A 17 2.026 -0.734 -1.289 1.00 0.00 C ATOM 235 CG1 VAL A 17 2.651 0.460 -0.584 1.00 0.00 C ATOM 236 CG2 VAL A 17 3.060 -1.825 -1.525 1.00 0.00 C ATOM 0 H VAL A 17 0.482 -2.634 -2.038 1.00 0.00 H new ATOM 0 HA VAL A 17 1.171 -1.497 0.540 1.00 0.00 H new ATOM 0 HB VAL A 17 1.656 -0.400 -2.258 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.488 0.833 -1.173 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.906 1.248 -0.473 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.007 0.156 0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.892 -1.419 -2.101 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.427 -2.192 -0.566 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.603 -2.646 -2.077 1.00 0.00 H new ATOM 246 N LEU A 18 -1.117 -0.234 -1.453 1.00 0.00 N ATOM 247 CA LEU A 18 -2.216 0.722 -1.534 1.00 0.00 C ATOM 248 C LEU A 18 -3.164 0.564 -0.351 1.00 0.00 C ATOM 249 O LEU A 18 -3.643 1.550 0.211 1.00 0.00 O ATOM 250 CB LEU A 18 -2.982 0.539 -2.845 1.00 0.00 C ATOM 251 CG LEU A 18 -4.198 1.452 -3.019 1.00 0.00 C ATOM 252 CD1 LEU A 18 -3.803 2.735 -3.732 1.00 0.00 C ATOM 253 CD2 LEU A 18 -5.299 0.732 -3.782 1.00 0.00 C ATOM 0 H LEU A 18 -1.070 -0.890 -2.233 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.794 1.726 -1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.297 0.710 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.313 -0.497 -2.913 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.579 1.712 -2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.680 3.372 -3.847 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.048 3.259 -3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.397 2.495 -4.715 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.156 1.396 -3.897 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.930 0.442 -4.766 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.601 -0.159 -3.231 1.00 0.00 H new ATOM 265 N HIS A 19 -3.435 -0.683 0.023 1.00 0.00 N ATOM 266 CA HIS A 19 -4.329 -0.969 1.139 1.00 0.00 C ATOM 267 C HIS A 19 -3.680 -0.595 2.468 1.00 0.00 C ATOM 268 O HIS A 19 -4.347 -0.109 3.381 1.00 0.00 O ATOM 269 CB HIS A 19 -4.715 -2.449 1.144 1.00 0.00 C ATOM 270 CG HIS A 19 -5.918 -2.756 0.307 1.00 0.00 C ATOM 271 ND1 HIS A 19 -5.858 -3.098 -1.027 1.00 0.00 N ATOM 272 CD2 HIS A 19 -7.234 -2.768 0.638 1.00 0.00 C ATOM 273 CE1 HIS A 19 -7.111 -3.301 -1.455 1.00 0.00 C ATOM 274 NE2 HIS A 19 -7.983 -3.113 -0.483 1.00 0.00 N ATOM 0 H HIS A 19 -3.048 -1.511 -0.430 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.229 -0.367 1.014 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -3.871 -3.037 0.783 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -4.907 -2.763 2.170 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -5.010 -3.182 -1.588 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -7.636 -2.545 1.615 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.373 -3.582 -2.464 1.00 0.00 H new ATOM 282 N LEU A 20 -2.374 -0.823 2.568 1.00 0.00 N ATOM 283 CA LEU A 20 -1.635 -0.509 3.784 1.00 0.00 C ATOM 284 C LEU A 20 -1.716 0.983 4.099 1.00 0.00 C ATOM 285 O LEU A 20 -2.193 1.378 5.163 1.00 0.00 O ATOM 286 CB LEU A 20 -0.172 -0.935 3.641 1.00 0.00 C ATOM 287 CG LEU A 20 0.159 -2.313 4.216 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.233 -2.995 3.382 1.00 0.00 C ATOM 289 CD2 LEU A 20 0.605 -2.192 5.666 1.00 0.00 C ATOM 0 H LEU A 20 -1.807 -1.224 1.821 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.087 -1.061 4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.092 -0.926 2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.457 -0.192 4.132 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.742 -2.926 4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.456 -3.974 3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.877 -3.115 2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.136 -2.385 3.383 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.836 -3.182 6.059 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.493 -1.562 5.722 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.195 -1.745 6.257 1.00 0.00 H new ATOM 301 N LEU A 21 -1.245 1.804 3.166 1.00 0.00 N ATOM 302 CA LEU A 21 -1.262 3.252 3.342 1.00 0.00 C ATOM 303 C LEU A 21 -2.684 3.763 3.551 1.00 0.00 C ATOM 304 O LEU A 21 -2.898 4.783 4.206 1.00 0.00 O ATOM 305 CB LEU A 21 -0.635 3.941 2.127 1.00 0.00 C ATOM 306 CG LEU A 21 0.770 3.458 1.764 1.00 0.00 C ATOM 307 CD1 LEU A 21 1.080 3.764 0.306 1.00 0.00 C ATOM 308 CD2 LEU A 21 1.805 4.098 2.676 1.00 0.00 C ATOM 0 H LEU A 21 -0.847 1.492 2.280 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.678 3.489 4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.288 3.792 1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.597 5.014 2.316 1.00 0.00 H new ATOM 0 HG LEU A 21 0.810 2.378 1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.084 3.413 0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.356 3.259 -0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.022 4.840 0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.799 3.743 2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.764 5.182 2.568 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.594 3.828 3.711 1.00 0.00 H new ATOM 320 N ALA A 22 -3.656 3.047 2.990 1.00 0.00 N ATOM 321 CA ALA A 22 -5.057 3.430 3.116 1.00 0.00 C ATOM 322 C ALA A 22 -5.474 3.521 4.581 1.00 0.00 C ATOM 323 O ALA A 22 -6.072 4.509 5.006 1.00 0.00 O ATOM 324 CB ALA A 22 -5.943 2.440 2.375 1.00 0.00 C ATOM 0 H ALA A 22 -3.498 2.200 2.445 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.179 4.417 2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.986 2.738 2.477 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.671 2.428 1.320 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.807 1.444 2.796 1.00 0.00 H new ATOM 330 N LEU A 23 -5.155 2.482 5.348 1.00 0.00 N ATOM 331 CA LEU A 23 -5.497 2.446 6.765 1.00 0.00 C ATOM 332 C LEU A 23 -4.806 3.577 7.519 1.00 0.00 C ATOM 333 O LEU A 23 -5.463 4.434 8.111 1.00 0.00 O ATOM 334 CB LEU A 23 -5.104 1.098 7.371 1.00 0.00 C ATOM 335 CG LEU A 23 -6.126 -0.023 7.176 1.00 0.00 C ATOM 336 CD1 LEU A 23 -5.606 -1.327 7.760 1.00 0.00 C ATOM 337 CD2 LEU A 23 -7.457 0.354 7.810 1.00 0.00 C ATOM 0 H LEU A 23 -4.661 1.655 5.012 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.575 2.577 6.858 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.156 0.784 6.935 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.935 1.233 8.439 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.282 -0.165 6.107 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.347 -2.113 7.612 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.678 -1.605 7.261 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.421 -1.200 8.827 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.173 -0.455 7.662 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.317 0.523 8.878 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.837 1.264 7.345 1.00 0.00 H new ATOM 349 N ARG A 24 -3.478 3.573 7.495 1.00 0.00 N ATOM 350 CA ARG A 24 -2.698 4.598 8.178 1.00 0.00 C ATOM 351 C ARG A 24 -1.314 4.740 7.547 1.00 0.00 C ATOM 352 O ARG A 24 -0.851 3.844 6.843 1.00 0.00 O ATOM 353 CB ARG A 24 -2.562 4.260 9.664 1.00 0.00 C ATOM 354 CG ARG A 24 -2.107 2.833 9.923 1.00 0.00 C ATOM 355 CD ARG A 24 -1.243 2.741 11.171 1.00 0.00 C ATOM 356 NE ARG A 24 -0.024 3.538 11.052 1.00 0.00 N ATOM 357 CZ ARG A 24 1.033 3.396 11.848 1.00 0.00 C ATOM 358 NH1 ARG A 24 1.026 2.492 12.819 1.00 0.00 N ATOM 359 NH2 ARG A 24 2.102 4.161 11.671 1.00 0.00 N ATOM 0 H ARG A 24 -2.919 2.871 7.010 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.223 5.548 8.075 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.851 4.948 10.121 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.522 4.421 10.154 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.978 2.187 10.034 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.546 2.467 9.063 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.815 3.080 12.034 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.979 1.699 11.353 1.00 0.00 H new ATOM 0 HE ARG A 24 0.019 4.244 10.317 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.207 1.900 12.959 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.840 2.389 13.425 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.113 4.857 10.926 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.913 4.053 12.280 1.00 0.00 H new ATOM 373 N PRO A 25 -0.634 5.872 7.796 1.00 0.00 N ATOM 374 CA PRO A 25 0.703 6.126 7.248 1.00 0.00 C ATOM 375 C PRO A 25 1.668 4.977 7.519 1.00 0.00 C ATOM 376 O PRO A 25 1.520 4.246 8.498 1.00 0.00 O ATOM 377 CB PRO A 25 1.154 7.388 7.985 1.00 0.00 C ATOM 378 CG PRO A 25 -0.109 8.081 8.358 1.00 0.00 C ATOM 379 CD PRO A 25 -1.113 6.993 8.627 1.00 0.00 C ATOM 0 HA PRO A 25 0.686 6.233 6.163 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.745 7.141 8.867 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.777 8.016 7.349 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.034 8.707 9.239 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.448 8.735 7.554 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.143 6.726 9.683 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.121 7.298 8.347 1.00 0.00 H new ATOM 387 N TYR A 26 2.657 4.822 6.644 1.00 0.00 N ATOM 388 CA TYR A 26 3.646 3.760 6.789 1.00 0.00 C ATOM 389 C TYR A 26 4.995 4.192 6.223 1.00 0.00 C ATOM 390 O TYR A 26 5.102 4.545 5.048 1.00 0.00 O ATOM 391 CB TYR A 26 3.168 2.489 6.084 1.00 0.00 C ATOM 392 CG TYR A 26 2.314 1.596 6.956 1.00 0.00 C ATOM 393 CD1 TYR A 26 2.892 0.777 7.919 1.00 0.00 C ATOM 394 CD2 TYR A 26 0.933 1.571 6.816 1.00 0.00 C ATOM 395 CE1 TYR A 26 2.115 -0.042 8.718 1.00 0.00 C ATOM 396 CE2 TYR A 26 0.149 0.755 7.611 1.00 0.00 C ATOM 397 CZ TYR A 26 0.745 -0.048 8.560 1.00 0.00 C ATOM 398 OH TYR A 26 -0.031 -0.861 9.353 1.00 0.00 O ATOM 0 H TYR A 26 2.795 5.418 5.828 1.00 0.00 H new ATOM 0 HA TYR A 26 3.767 3.554 7.852 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.599 2.768 5.197 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.036 1.925 5.742 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.965 0.780 8.045 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.463 2.199 6.074 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.579 -0.673 9.462 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.924 0.747 7.489 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.975 -0.745 9.115 1.00 0.00 H new ATOM 408 N ARG A 27 6.023 4.159 7.066 1.00 0.00 N ATOM 409 CA ARG A 27 7.366 4.546 6.649 1.00 0.00 C ATOM 410 C ARG A 27 7.956 3.514 5.693 1.00 0.00 C ATOM 411 O ARG A 27 7.360 2.465 5.452 1.00 0.00 O ATOM 412 CB ARG A 27 8.275 4.708 7.868 1.00 0.00 C ATOM 413 CG ARG A 27 7.846 5.828 8.803 1.00 0.00 C ATOM 414 CD ARG A 27 9.031 6.396 9.570 1.00 0.00 C ATOM 415 NE ARG A 27 9.077 5.908 10.945 1.00 0.00 N ATOM 416 CZ ARG A 27 8.343 6.409 11.936 1.00 0.00 C ATOM 417 NH1 ARG A 27 7.502 7.410 11.710 1.00 0.00 N ATOM 418 NH2 ARG A 27 8.450 5.905 13.159 1.00 0.00 N ATOM 0 H ARG A 27 5.951 3.868 8.041 1.00 0.00 H new ATOM 0 HA ARG A 27 7.297 5.501 6.128 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.295 3.770 8.423 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.293 4.899 7.529 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.369 6.621 8.228 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.102 5.452 9.506 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.956 6.128 9.059 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.973 7.484 9.573 1.00 0.00 H new ATOM 0 HE ARG A 27 9.709 5.137 11.159 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.415 7.801 10.772 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.943 7.789 12.474 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.094 5.135 13.339 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.888 6.288 13.919 1.00 0.00 H new ATOM 432 N LYS A 28 9.132 3.819 5.153 1.00 0.00 N ATOM 433 CA LYS A 28 9.803 2.917 4.225 1.00 0.00 C ATOM 434 C LYS A 28 10.270 1.653 4.941 1.00 0.00 C ATOM 435 O LYS A 28 10.200 0.555 4.390 1.00 0.00 O ATOM 436 CB LYS A 28 10.993 3.621 3.567 1.00 0.00 C ATOM 437 CG LYS A 28 10.831 3.814 2.067 1.00 0.00 C ATOM 438 CD LYS A 28 12.097 3.435 1.314 1.00 0.00 C ATOM 439 CE LYS A 28 12.102 1.961 0.942 1.00 0.00 C ATOM 440 NZ LYS A 28 13.380 1.556 0.294 1.00 0.00 N ATOM 0 H LYS A 28 9.639 4.683 5.342 1.00 0.00 H new ATOM 0 HA LYS A 28 9.090 2.631 3.451 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.134 4.594 4.037 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.897 3.042 3.755 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.999 3.208 1.709 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.580 4.854 1.858 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.180 4.040 0.411 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.969 3.659 1.929 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.943 1.360 1.837 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.271 1.754 0.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.343 0.544 0.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.520 2.111 -0.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.171 1.729 0.947 1.00 0.00 H new ATOM 454 N ALA A 29 10.746 1.817 6.171 1.00 0.00 N ATOM 455 CA ALA A 29 11.223 0.689 6.961 1.00 0.00 C ATOM 456 C ALA A 29 10.063 -0.042 7.626 1.00 0.00 C ATOM 457 O ALA A 29 10.089 -1.265 7.773 1.00 0.00 O ATOM 458 CB ALA A 29 12.220 1.164 8.008 1.00 0.00 C ATOM 0 H ALA A 29 10.811 2.720 6.641 1.00 0.00 H new ATOM 0 HA ALA A 29 11.722 -0.010 6.290 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.569 0.312 8.591 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.069 1.637 7.514 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.738 1.884 8.670 1.00 0.00 H new ATOM 464 N GLU A 30 9.045 0.712 8.027 1.00 0.00 N ATOM 465 CA GLU A 30 7.874 0.135 8.676 1.00 0.00 C ATOM 466 C GLU A 30 7.028 -0.643 7.674 1.00 0.00 C ATOM 467 O GLU A 30 6.418 -1.656 8.015 1.00 0.00 O ATOM 468 CB GLU A 30 7.034 1.235 9.330 1.00 0.00 C ATOM 469 CG GLU A 30 6.605 0.908 10.751 1.00 0.00 C ATOM 470 CD GLU A 30 5.421 1.738 11.208 1.00 0.00 C ATOM 471 OE1 GLU A 30 5.610 2.943 11.477 1.00 0.00 O ATOM 472 OE2 GLU A 30 4.306 1.183 11.298 1.00 0.00 O ATOM 0 H GLU A 30 9.008 1.725 7.914 1.00 0.00 H new ATOM 0 HA GLU A 30 8.217 -0.555 9.447 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.606 2.163 9.336 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.146 1.412 8.723 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.349 -0.150 10.815 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.443 1.075 11.427 1.00 0.00 H new ATOM 479 N LEU A 31 6.999 -0.164 6.434 1.00 0.00 N ATOM 480 CA LEU A 31 6.228 -0.815 5.381 1.00 0.00 C ATOM 481 C LEU A 31 7.008 -1.979 4.778 1.00 0.00 C ATOM 482 O LEU A 31 6.431 -2.998 4.403 1.00 0.00 O ATOM 483 CB LEU A 31 5.866 0.193 4.288 1.00 0.00 C ATOM 484 CG LEU A 31 4.757 -0.257 3.336 1.00 0.00 C ATOM 485 CD1 LEU A 31 3.421 -0.308 4.059 1.00 0.00 C ATOM 486 CD2 LEU A 31 4.679 0.673 2.134 1.00 0.00 C ATOM 0 H LEU A 31 7.500 0.672 6.134 1.00 0.00 H new ATOM 0 HA LEU A 31 5.311 -1.205 5.823 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.561 1.126 4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.760 0.409 3.704 1.00 0.00 H new ATOM 0 HG LEU A 31 4.993 -1.260 2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.644 -0.630 3.366 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.483 -1.013 4.888 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.177 0.683 4.443 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.885 0.339 1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.466 1.687 2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.630 0.660 1.602 1.00 0.00 H new ATOM 498 N LEU A 32 8.326 -1.818 4.690 1.00 0.00 N ATOM 499 CA LEU A 32 9.185 -2.857 4.133 1.00 0.00 C ATOM 500 C LEU A 32 9.099 -4.136 4.960 1.00 0.00 C ATOM 501 O LEU A 32 8.893 -5.223 4.421 1.00 0.00 O ATOM 502 CB LEU A 32 10.635 -2.371 4.074 1.00 0.00 C ATOM 503 CG LEU A 32 11.004 -1.588 2.814 1.00 0.00 C ATOM 504 CD1 LEU A 32 12.335 -0.874 2.999 1.00 0.00 C ATOM 505 CD2 LEU A 32 11.056 -2.514 1.608 1.00 0.00 C ATOM 0 H LEU A 32 8.820 -0.980 4.997 1.00 0.00 H new ATOM 0 HA LEU A 32 8.840 -3.076 3.122 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.827 -1.742 4.943 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.295 -3.235 4.153 1.00 0.00 H new ATOM 0 HG LEU A 32 10.234 -0.837 2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.581 -0.322 2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.263 -0.181 3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.116 -1.607 3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.320 -1.940 0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.805 -3.288 1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.080 -2.978 1.463 1.00 0.00 H new ATOM 517 N LEU A 33 9.257 -3.998 6.272 1.00 0.00 N ATOM 518 CA LEU A 33 9.197 -5.142 7.174 1.00 0.00 C ATOM 519 C LEU A 33 7.841 -5.835 7.086 1.00 0.00 C ATOM 520 O LEU A 33 7.762 -7.063 7.042 1.00 0.00 O ATOM 521 CB LEU A 33 9.463 -4.698 8.614 1.00 0.00 C ATOM 522 CG LEU A 33 10.880 -4.190 8.885 1.00 0.00 C ATOM 523 CD1 LEU A 33 11.006 -3.697 10.316 1.00 0.00 C ATOM 524 CD2 LEU A 33 11.900 -5.284 8.603 1.00 0.00 C ATOM 0 H LEU A 33 9.428 -3.105 6.734 1.00 0.00 H new ATOM 0 HA LEU A 33 9.967 -5.851 6.871 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.756 -3.910 8.871 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.261 -5.537 9.280 1.00 0.00 H new ATOM 0 HG LEU A 33 11.080 -3.353 8.217 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.021 -3.340 10.490 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.301 -2.883 10.484 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.787 -4.514 11.003 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.903 -4.906 8.801 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.702 -6.141 9.247 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.827 -5.589 7.559 1.00 0.00 H new ATOM 536 N ARG A 34 6.777 -5.039 7.060 1.00 0.00 N ATOM 537 CA ARG A 34 5.424 -5.576 6.976 1.00 0.00 C ATOM 538 C ARG A 34 5.240 -6.391 5.700 1.00 0.00 C ATOM 539 O ARG A 34 4.787 -7.534 5.742 1.00 0.00 O ATOM 540 CB ARG A 34 4.399 -4.440 7.025 1.00 0.00 C ATOM 541 CG ARG A 34 3.245 -4.702 7.978 1.00 0.00 C ATOM 542 CD ARG A 34 2.463 -5.943 7.579 1.00 0.00 C ATOM 543 NE ARG A 34 1.242 -5.609 6.848 1.00 0.00 N ATOM 544 CZ ARG A 34 0.217 -6.444 6.696 1.00 0.00 C ATOM 545 NH1 ARG A 34 0.261 -7.663 7.222 1.00 0.00 N ATOM 546 NH2 ARG A 34 -0.855 -6.061 6.018 1.00 0.00 N ATOM 0 H ARG A 34 6.826 -4.021 7.096 1.00 0.00 H new ATOM 0 HA ARG A 34 5.267 -6.235 7.830 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.903 -3.520 7.322 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.002 -4.277 6.023 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.629 -4.823 8.991 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.579 -3.839 7.990 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.091 -6.585 6.961 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.207 -6.513 8.472 1.00 0.00 H new ATOM 0 HE ARG A 34 1.171 -4.681 6.430 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.083 -7.963 7.746 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.528 -8.299 7.102 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.895 -5.126 5.612 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.640 -6.701 5.902 1.00 0.00 H new ATOM 560 N LEU A 35 5.596 -5.795 4.566 1.00 0.00 N ATOM 561 CA LEU A 35 5.471 -6.466 3.278 1.00 0.00 C ATOM 562 C LEU A 35 6.380 -7.689 3.210 1.00 0.00 C ATOM 563 O LEU A 35 6.060 -8.676 2.547 1.00 0.00 O ATOM 564 CB LEU A 35 5.810 -5.500 2.140 1.00 0.00 C ATOM 565 CG LEU A 35 4.694 -4.524 1.764 1.00 0.00 C ATOM 566 CD1 LEU A 35 5.265 -3.309 1.052 1.00 0.00 C ATOM 567 CD2 LEU A 35 3.655 -5.215 0.894 1.00 0.00 C ATOM 0 H LEU A 35 5.973 -4.849 4.514 1.00 0.00 H new ATOM 0 HA LEU A 35 4.438 -6.797 3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.693 -4.927 2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.076 -6.082 1.257 1.00 0.00 H new ATOM 0 HG LEU A 35 4.208 -4.187 2.679 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.456 -2.626 0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.972 -2.801 1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.777 -3.627 0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.868 -4.507 0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.128 -5.580 -0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.223 -6.054 1.440 1.00 0.00 H new ATOM 579 N GLN A 36 7.513 -7.617 3.901 1.00 0.00 N ATOM 580 CA GLN A 36 8.467 -8.719 3.918 1.00 0.00 C ATOM 581 C GLN A 36 7.831 -9.979 4.496 1.00 0.00 C ATOM 582 O GLN A 36 8.172 -11.095 4.104 1.00 0.00 O ATOM 583 CB GLN A 36 9.705 -8.336 4.734 1.00 0.00 C ATOM 584 CG GLN A 36 11.015 -8.730 4.072 1.00 0.00 C ATOM 585 CD GLN A 36 11.976 -9.402 5.032 1.00 0.00 C ATOM 586 OE1 GLN A 36 12.186 -10.614 4.974 1.00 0.00 O ATOM 587 NE2 GLN A 36 12.567 -8.616 5.925 1.00 0.00 N ATOM 0 H GLN A 36 7.792 -6.808 4.456 1.00 0.00 H new ATOM 0 HA GLN A 36 8.767 -8.924 2.891 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.701 -7.259 4.901 1.00 0.00 H new ATOM 0 HB3 GLN A 36 9.645 -8.810 5.714 1.00 0.00 H new ATOM 0 HG2 GLN A 36 10.809 -9.403 3.240 1.00 0.00 H new ATOM 0 HG3 GLN A 36 11.488 -7.841 3.654 1.00 0.00 H new ATOM 0 HE21 GLN A 36 12.364 -7.616 5.938 1.00 0.00 H new ATOM 0 HE22 GLN A 36 13.224 -9.012 6.598 1.00 0.00 H new ATOM 596 N LYS A 37 6.904 -9.793 5.430 1.00 0.00 N ATOM 597 CA LYS A 37 6.218 -10.914 6.062 1.00 0.00 C ATOM 598 C LYS A 37 5.359 -11.665 5.051 1.00 0.00 C ATOM 599 O LYS A 37 5.208 -12.884 5.133 1.00 0.00 O ATOM 600 CB LYS A 37 5.350 -10.421 7.221 1.00 0.00 C ATOM 601 CG LYS A 37 6.140 -9.737 8.325 1.00 0.00 C ATOM 602 CD LYS A 37 5.228 -8.959 9.260 1.00 0.00 C ATOM 603 CE LYS A 37 6.020 -8.247 10.345 1.00 0.00 C ATOM 604 NZ LYS A 37 6.019 -9.009 11.625 1.00 0.00 N ATOM 0 H LYS A 37 6.610 -8.876 5.766 1.00 0.00 H new ATOM 0 HA LYS A 37 6.973 -11.598 6.449 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.604 -9.726 6.835 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.809 -11.267 7.644 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.695 -10.483 8.893 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.874 -9.062 7.885 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.655 -8.229 8.688 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.510 -9.639 9.719 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.047 -8.103 10.009 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.597 -7.256 10.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.570 -8.490 12.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.041 -9.125 11.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.446 -9.945 11.472 1.00 0.00 H new ATOM 618 N ASP A 38 4.795 -10.929 4.099 1.00 0.00 N ATOM 619 CA ASP A 38 3.950 -11.525 3.072 1.00 0.00 C ATOM 620 C ASP A 38 4.776 -11.929 1.854 1.00 0.00 C ATOM 621 O ASP A 38 4.672 -13.056 1.367 1.00 0.00 O ATOM 622 CB ASP A 38 2.848 -10.546 2.656 1.00 0.00 C ATOM 623 CG ASP A 38 1.477 -10.983 3.133 1.00 0.00 C ATOM 624 OD1 ASP A 38 0.796 -11.720 2.388 1.00 0.00 O ATOM 625 OD2 ASP A 38 1.082 -10.588 4.250 1.00 0.00 O ATOM 0 H ASP A 38 4.908 -9.919 4.018 1.00 0.00 H new ATOM 0 HA ASP A 38 3.491 -12.421 3.489 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.072 -9.558 3.059 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.839 -10.453 1.570 1.00 0.00 H new ATOM 630 N GLY A 39 5.595 -11.003 1.368 1.00 0.00 N ATOM 631 CA GLY A 39 6.428 -11.283 0.212 1.00 0.00 C ATOM 632 C GLY A 39 7.288 -10.100 -0.183 1.00 0.00 C ATOM 633 O GLY A 39 6.774 -9.054 -0.581 1.00 0.00 O ATOM 0 H GLY A 39 5.697 -10.064 1.753 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.069 -12.138 0.428 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.794 -11.564 -0.629 1.00 0.00 H new ATOM 637 N LEU A 40 8.603 -10.264 -0.073 1.00 0.00 N ATOM 638 CA LEU A 40 9.539 -9.202 -0.422 1.00 0.00 C ATOM 639 C LEU A 40 10.957 -9.748 -0.551 1.00 0.00 C ATOM 640 O LEU A 40 11.471 -10.391 0.365 1.00 0.00 O ATOM 641 CB LEU A 40 9.502 -8.092 0.630 1.00 0.00 C ATOM 642 CG LEU A 40 9.769 -6.684 0.095 1.00 0.00 C ATOM 643 CD1 LEU A 40 8.599 -6.202 -0.746 1.00 0.00 C ATOM 644 CD2 LEU A 40 10.037 -5.722 1.242 1.00 0.00 C ATOM 0 H LEU A 40 9.044 -11.123 0.255 1.00 0.00 H new ATOM 0 HA LEU A 40 9.238 -8.790 -1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.524 -8.102 1.112 1.00 0.00 H new ATOM 0 HB3 LEU A 40 10.240 -8.318 1.400 1.00 0.00 H new ATOM 0 HG LEU A 40 10.655 -6.718 -0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.807 -5.199 -1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.453 -6.878 -1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.696 -6.183 -0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.225 -4.725 0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.170 -5.692 1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.908 -6.059 1.803 1.00 0.00 H new ATOM 656 N THR A 41 11.584 -9.487 -1.693 1.00 0.00 N ATOM 657 CA THR A 41 12.943 -9.953 -1.943 1.00 0.00 C ATOM 658 C THR A 41 13.841 -8.802 -2.384 1.00 0.00 C ATOM 659 O THR A 41 14.655 -8.302 -1.607 1.00 0.00 O ATOM 660 CB THR A 41 12.941 -11.051 -3.009 1.00 0.00 C ATOM 661 OG1 THR A 41 12.208 -10.639 -4.150 1.00 0.00 O ATOM 662 CG2 THR A 41 12.344 -12.354 -2.526 1.00 0.00 C ATOM 0 H THR A 41 11.173 -8.955 -2.460 1.00 0.00 H new ATOM 0 HA THR A 41 13.337 -10.361 -1.012 1.00 0.00 H new ATOM 0 HB THR A 41 13.990 -11.220 -3.252 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.219 -11.353 -4.821 1.00 0.00 H new ATOM 0 HG21 THR A 41 12.374 -13.088 -3.331 1.00 0.00 H new ATOM 0 HG22 THR A 41 12.917 -12.724 -1.676 1.00 0.00 H new ATOM 0 HG23 THR A 41 11.310 -12.190 -2.223 1.00 0.00 H new ATOM 670 N GLN A 42 13.686 -8.385 -3.636 1.00 0.00 N ATOM 671 CA GLN A 42 14.482 -7.293 -4.182 1.00 0.00 C ATOM 672 C GLN A 42 13.682 -6.499 -5.210 1.00 0.00 C ATOM 673 O GLN A 42 13.673 -5.268 -5.190 1.00 0.00 O ATOM 674 CB GLN A 42 15.763 -7.838 -4.820 1.00 0.00 C ATOM 675 CG GLN A 42 17.026 -7.151 -4.329 1.00 0.00 C ATOM 676 CD GLN A 42 17.088 -5.690 -4.730 1.00 0.00 C ATOM 677 OE1 GLN A 42 16.449 -5.270 -5.692 1.00 0.00 O ATOM 678 NE2 GLN A 42 17.864 -4.907 -3.988 1.00 0.00 N ATOM 0 H GLN A 42 13.016 -8.787 -4.292 1.00 0.00 H new ATOM 0 HA GLN A 42 14.750 -6.625 -3.364 1.00 0.00 H new ATOM 0 HB2 GLN A 42 15.836 -8.906 -4.613 1.00 0.00 H new ATOM 0 HB3 GLN A 42 15.696 -7.727 -5.902 1.00 0.00 H new ATOM 0 HG2 GLN A 42 17.079 -7.229 -3.243 1.00 0.00 H new ATOM 0 HG3 GLN A 42 17.897 -7.671 -4.728 1.00 0.00 H new ATOM 0 HE21 GLN A 42 18.377 -5.298 -3.198 1.00 0.00 H new ATOM 0 HE22 GLN A 42 17.947 -3.915 -4.208 1.00 0.00 H new ATOM 687 N ALA A 43 13.010 -7.212 -6.109 1.00 0.00 N ATOM 688 CA ALA A 43 12.206 -6.576 -7.144 1.00 0.00 C ATOM 689 C ALA A 43 11.072 -5.759 -6.535 1.00 0.00 C ATOM 690 O ALA A 43 10.651 -4.748 -7.095 1.00 0.00 O ATOM 691 CB ALA A 43 11.650 -7.622 -8.099 1.00 0.00 C ATOM 0 H ALA A 43 13.007 -8.232 -6.140 1.00 0.00 H new ATOM 0 HA ALA A 43 12.850 -5.896 -7.702 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.051 -7.132 -8.867 1.00 0.00 H new ATOM 0 HB2 ALA A 43 12.473 -8.160 -8.569 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.026 -8.325 -7.546 1.00 0.00 H new ATOM 697 N ASP A 44 10.583 -6.205 -5.382 1.00 0.00 N ATOM 698 CA ASP A 44 9.497 -5.517 -4.694 1.00 0.00 C ATOM 699 C ASP A 44 10.030 -4.362 -3.852 1.00 0.00 C ATOM 700 O ASP A 44 9.354 -3.349 -3.671 1.00 0.00 O ATOM 701 CB ASP A 44 8.725 -6.496 -3.808 1.00 0.00 C ATOM 702 CG ASP A 44 8.184 -7.678 -4.587 1.00 0.00 C ATOM 703 OD1 ASP A 44 7.270 -7.475 -5.415 1.00 0.00 O ATOM 704 OD2 ASP A 44 8.672 -8.807 -4.370 1.00 0.00 O ATOM 0 H ASP A 44 10.922 -7.040 -4.905 1.00 0.00 H new ATOM 0 HA ASP A 44 8.823 -5.111 -5.448 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.379 -6.856 -3.014 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.899 -5.972 -3.327 1.00 0.00 H new ATOM 709 N LYS A 45 11.245 -4.523 -3.339 1.00 0.00 N ATOM 710 CA LYS A 45 11.869 -3.494 -2.514 1.00 0.00 C ATOM 711 C LYS A 45 12.127 -2.226 -3.324 1.00 0.00 C ATOM 712 O LYS A 45 11.663 -1.144 -2.967 1.00 0.00 O ATOM 713 CB LYS A 45 13.180 -4.015 -1.920 1.00 0.00 C ATOM 714 CG LYS A 45 13.175 -4.081 -0.402 1.00 0.00 C ATOM 715 CD LYS A 45 14.558 -4.396 0.147 1.00 0.00 C ATOM 716 CE LYS A 45 14.872 -3.561 1.378 1.00 0.00 C ATOM 717 NZ LYS A 45 14.214 -4.101 2.599 1.00 0.00 N ATOM 0 H LYS A 45 11.817 -5.356 -3.480 1.00 0.00 H new ATOM 0 HA LYS A 45 11.184 -3.248 -1.703 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.380 -5.010 -2.318 1.00 0.00 H new ATOM 0 HB3 LYS A 45 13.998 -3.372 -2.245 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.829 -3.130 0.003 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.469 -4.843 -0.072 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.618 -5.455 0.399 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.307 -4.208 -0.622 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.951 -3.531 1.530 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.545 -2.534 1.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.069 -3.332 3.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.295 -4.515 2.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.818 -4.833 3.024 1.00 0.00 H new ATOM 731 N ASP A 46 12.872 -2.368 -4.417 1.00 0.00 N ATOM 732 CA ASP A 46 13.193 -1.235 -5.276 1.00 0.00 C ATOM 733 C ASP A 46 11.925 -0.587 -5.823 1.00 0.00 C ATOM 734 O ASP A 46 11.832 0.637 -5.916 1.00 0.00 O ATOM 735 CB ASP A 46 14.089 -1.683 -6.431 1.00 0.00 C ATOM 736 CG ASP A 46 15.136 -0.644 -6.786 1.00 0.00 C ATOM 737 OD1 ASP A 46 14.887 0.556 -6.547 1.00 0.00 O ATOM 738 OD2 ASP A 46 16.205 -1.032 -7.304 1.00 0.00 O ATOM 0 H ASP A 46 13.264 -3.257 -4.728 1.00 0.00 H new ATOM 0 HA ASP A 46 13.725 -0.497 -4.676 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.584 -2.617 -6.163 1.00 0.00 H new ATOM 0 HB3 ASP A 46 13.473 -1.889 -7.307 1.00 0.00 H new ATOM 743 N ALA A 47 10.951 -1.415 -6.184 1.00 0.00 N ATOM 744 CA ALA A 47 9.689 -0.922 -6.723 1.00 0.00 C ATOM 745 C ALA A 47 8.930 -0.104 -5.685 1.00 0.00 C ATOM 746 O ALA A 47 8.241 0.858 -6.022 1.00 0.00 O ATOM 747 CB ALA A 47 8.836 -2.084 -7.210 1.00 0.00 C ATOM 0 H ALA A 47 11.011 -2.431 -6.113 1.00 0.00 H new ATOM 0 HA ALA A 47 9.912 -0.269 -7.567 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.896 -1.703 -7.610 1.00 0.00 H new ATOM 0 HB2 ALA A 47 9.370 -2.625 -7.991 1.00 0.00 H new ATOM 0 HB3 ALA A 47 8.630 -2.757 -6.378 1.00 0.00 H new ATOM 753 N LEU A 48 9.059 -0.493 -4.421 1.00 0.00 N ATOM 754 CA LEU A 48 8.383 0.204 -3.332 1.00 0.00 C ATOM 755 C LEU A 48 8.784 1.675 -3.291 1.00 0.00 C ATOM 756 O LEU A 48 8.004 2.530 -2.875 1.00 0.00 O ATOM 757 CB LEU A 48 8.709 -0.462 -1.993 1.00 0.00 C ATOM 758 CG LEU A 48 7.699 -0.196 -0.875 1.00 0.00 C ATOM 759 CD1 LEU A 48 6.603 -1.250 -0.884 1.00 0.00 C ATOM 760 CD2 LEU A 48 8.397 -0.161 0.476 1.00 0.00 C ATOM 0 H LEU A 48 9.626 -1.288 -4.125 1.00 0.00 H new ATOM 0 HA LEU A 48 7.309 0.145 -3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.781 -1.538 -2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.691 -0.121 -1.664 1.00 0.00 H new ATOM 0 HG LEU A 48 7.240 0.777 -1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.894 -1.044 -0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.084 -1.227 -1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.044 -2.235 -0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.664 0.029 1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.883 -1.119 0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.145 0.632 0.479 1.00 0.00 H new ATOM 772 N ASP A 49 10.008 1.963 -3.726 1.00 0.00 N ATOM 773 CA ASP A 49 10.513 3.330 -3.738 1.00 0.00 C ATOM 774 C ASP A 49 9.808 4.165 -4.802 1.00 0.00 C ATOM 775 O ASP A 49 9.249 5.221 -4.507 1.00 0.00 O ATOM 776 CB ASP A 49 12.023 3.335 -3.988 1.00 0.00 C ATOM 777 CG ASP A 49 12.636 4.707 -3.794 1.00 0.00 C ATOM 778 OD1 ASP A 49 12.430 5.578 -4.665 1.00 0.00 O ATOM 779 OD2 ASP A 49 13.325 4.910 -2.772 1.00 0.00 O ATOM 0 H ASP A 49 10.667 1.267 -4.074 1.00 0.00 H new ATOM 0 HA ASP A 49 10.310 3.773 -2.763 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.503 2.627 -3.312 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.222 2.992 -5.003 1.00 0.00 H new ATOM 784 N GLY A 50 9.841 3.685 -6.042 1.00 0.00 N ATOM 785 CA GLY A 50 9.204 4.400 -7.132 1.00 0.00 C ATOM 786 C GLY A 50 7.691 4.392 -7.030 1.00 0.00 C ATOM 787 O GLY A 50 7.025 5.308 -7.513 1.00 0.00 O ATOM 0 H GLY A 50 10.298 2.813 -6.311 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.558 5.431 -7.141 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.503 3.952 -8.079 1.00 0.00 H new ATOM 791 N LEU A 51 7.145 3.355 -6.402 1.00 0.00 N ATOM 792 CA LEU A 51 5.701 3.233 -6.242 1.00 0.00 C ATOM 793 C LEU A 51 5.192 4.161 -5.144 1.00 0.00 C ATOM 794 O LEU A 51 4.202 4.870 -5.327 1.00 0.00 O ATOM 795 CB LEU A 51 5.322 1.786 -5.921 1.00 0.00 C ATOM 796 CG LEU A 51 3.931 1.361 -6.397 1.00 0.00 C ATOM 797 CD1 LEU A 51 4.014 0.695 -7.762 1.00 0.00 C ATOM 798 CD2 LEU A 51 3.284 0.427 -5.385 1.00 0.00 C ATOM 0 H LEU A 51 7.681 2.588 -5.996 1.00 0.00 H new ATOM 0 HA LEU A 51 5.232 3.524 -7.182 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.062 1.124 -6.371 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.380 1.642 -4.842 1.00 0.00 H new ATOM 0 HG LEU A 51 3.311 2.253 -6.488 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.015 0.400 -8.084 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.436 1.395 -8.483 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.650 -0.188 -7.698 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.296 0.135 -5.740 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.903 -0.462 -5.263 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.189 0.938 -4.427 1.00 0.00 H new ATOM 810 N LEU A 52 5.873 4.151 -4.003 1.00 0.00 N ATOM 811 CA LEU A 52 5.488 4.993 -2.873 1.00 0.00 C ATOM 812 C LEU A 52 5.427 6.461 -3.282 1.00 0.00 C ATOM 813 O LEU A 52 4.458 7.159 -2.986 1.00 0.00 O ATOM 814 CB LEU A 52 6.475 4.816 -1.718 1.00 0.00 C ATOM 815 CG LEU A 52 6.188 3.630 -0.796 1.00 0.00 C ATOM 816 CD1 LEU A 52 7.386 3.346 0.097 1.00 0.00 C ATOM 817 CD2 LEU A 52 4.947 3.897 0.042 1.00 0.00 C ATOM 0 H LEU A 52 6.694 3.570 -3.835 1.00 0.00 H new ATOM 0 HA LEU A 52 4.495 4.684 -2.546 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.477 4.701 -2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.479 5.728 -1.121 1.00 0.00 H new ATOM 0 HG LEU A 52 6.004 2.750 -1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.163 2.499 0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.253 3.112 -0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.602 4.223 0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.757 3.043 0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.103 4.789 0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.091 4.051 -0.615 1.00 0.00 H new ATOM 829 N GLN A 53 6.469 6.923 -3.964 1.00 0.00 N ATOM 830 CA GLN A 53 6.535 8.309 -4.414 1.00 0.00 C ATOM 831 C GLN A 53 5.360 8.646 -5.328 1.00 0.00 C ATOM 832 O GLN A 53 4.979 9.809 -5.460 1.00 0.00 O ATOM 833 CB GLN A 53 7.854 8.566 -5.144 1.00 0.00 C ATOM 834 CG GLN A 53 9.064 8.594 -4.225 1.00 0.00 C ATOM 835 CD GLN A 53 9.582 9.998 -3.984 1.00 0.00 C ATOM 836 OE1 GLN A 53 10.656 10.365 -4.460 1.00 0.00 O ATOM 837 NE2 GLN A 53 8.818 10.791 -3.243 1.00 0.00 N ATOM 0 H GLN A 53 7.280 6.358 -4.218 1.00 0.00 H new ATOM 0 HA GLN A 53 6.481 8.952 -3.535 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.999 7.792 -5.898 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.788 9.517 -5.672 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.801 8.139 -3.270 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.859 7.987 -4.659 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.935 10.444 -2.869 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.114 11.747 -3.048 1.00 0.00 H new ATOM 846 N GLN A 54 4.791 7.624 -5.961 1.00 0.00 N ATOM 847 CA GLN A 54 3.662 7.818 -6.864 1.00 0.00 C ATOM 848 C GLN A 54 2.335 7.674 -6.124 1.00 0.00 C ATOM 849 O GLN A 54 1.484 8.561 -6.176 1.00 0.00 O ATOM 850 CB GLN A 54 3.728 6.815 -8.018 1.00 0.00 C ATOM 851 CG GLN A 54 4.431 7.356 -9.252 1.00 0.00 C ATOM 852 CD GLN A 54 3.676 8.500 -9.900 1.00 0.00 C ATOM 853 OE1 GLN A 54 2.789 9.098 -9.290 1.00 0.00 O ATOM 854 NE2 GLN A 54 4.024 8.811 -11.143 1.00 0.00 N ATOM 0 H GLN A 54 5.093 6.654 -5.865 1.00 0.00 H new ATOM 0 HA GLN A 54 3.722 8.830 -7.265 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.245 5.917 -7.679 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.715 6.517 -8.288 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.430 7.695 -8.977 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.555 6.551 -9.977 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.765 8.289 -11.611 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.550 9.572 -11.630 1.00 0.00 H new ATOM 863 N VAL A 55 2.164 6.549 -5.437 1.00 0.00 N ATOM 864 CA VAL A 55 0.939 6.289 -4.689 1.00 0.00 C ATOM 865 C VAL A 55 1.106 6.636 -3.214 1.00 0.00 C ATOM 866 O VAL A 55 0.510 5.999 -2.345 1.00 0.00 O ATOM 867 CB VAL A 55 0.505 4.815 -4.814 1.00 0.00 C ATOM 868 CG1 VAL A 55 0.179 4.475 -6.260 1.00 0.00 C ATOM 869 CG2 VAL A 55 1.586 3.890 -4.269 1.00 0.00 C ATOM 0 H VAL A 55 2.858 5.803 -5.383 1.00 0.00 H new ATOM 0 HA VAL A 55 0.167 6.925 -5.121 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.397 4.669 -4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.125 3.431 -6.328 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.633 5.113 -6.610 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.061 4.637 -6.880 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.261 2.854 -4.366 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.508 4.036 -4.833 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.764 4.118 -3.218 1.00 0.00 H new ATOM 879 N ALA A 56 1.920 7.649 -2.937 1.00 0.00 N ATOM 880 CA ALA A 56 2.163 8.079 -1.565 1.00 0.00 C ATOM 881 C ALA A 56 3.006 9.349 -1.529 1.00 0.00 C ATOM 882 O ALA A 56 3.938 9.510 -2.318 1.00 0.00 O ATOM 883 CB ALA A 56 2.844 6.970 -0.777 1.00 0.00 C ATOM 0 H ALA A 56 2.422 8.187 -3.643 1.00 0.00 H new ATOM 0 HA ALA A 56 1.200 8.299 -1.104 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.019 7.305 0.245 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.205 6.087 -0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.796 6.722 -1.246 1.00 0.00 H new ATOM 889 N ASN A 57 2.673 10.248 -0.610 1.00 0.00 N ATOM 890 CA ASN A 57 3.400 11.505 -0.470 1.00 0.00 C ATOM 891 C ASN A 57 4.405 11.427 0.674 1.00 0.00 C ATOM 892 O ASN A 57 4.029 11.421 1.846 1.00 0.00 O ATOM 893 CB ASN A 57 2.425 12.659 -0.229 1.00 0.00 C ATOM 894 CG ASN A 57 1.851 13.209 -1.521 1.00 0.00 C ATOM 895 OD1 ASN A 57 2.484 13.139 -2.574 1.00 0.00 O ATOM 896 ND2 ASN A 57 0.647 13.763 -1.445 1.00 0.00 N ATOM 0 H ASN A 57 1.904 10.130 0.050 1.00 0.00 H new ATOM 0 HA ASN A 57 3.944 11.686 -1.397 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.611 12.316 0.410 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.937 13.458 0.307 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.211 14.152 -2.281 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.158 13.799 -0.551 1.00 0.00 H new ATOM 903 N MET A 58 5.687 11.368 0.326 1.00 0.00 N ATOM 904 CA MET A 58 6.747 11.291 1.323 1.00 0.00 C ATOM 905 C MET A 58 7.037 12.665 1.919 1.00 0.00 C ATOM 906 O MET A 58 6.998 13.677 1.219 1.00 0.00 O ATOM 907 CB MET A 58 8.021 10.713 0.701 1.00 0.00 C ATOM 908 CG MET A 58 8.806 9.817 1.644 1.00 0.00 C ATOM 909 SD MET A 58 10.367 9.262 0.935 1.00 0.00 S ATOM 910 CE MET A 58 10.000 7.538 0.614 1.00 0.00 C ATOM 0 H MET A 58 6.016 11.372 -0.640 1.00 0.00 H new ATOM 0 HA MET A 58 6.410 10.632 2.123 1.00 0.00 H new ATOM 0 HB2 MET A 58 7.755 10.144 -0.190 1.00 0.00 H new ATOM 0 HB3 MET A 58 8.661 11.533 0.376 1.00 0.00 H new ATOM 0 HG2 MET A 58 9.003 10.356 2.571 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.200 8.949 1.903 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.873 7.056 0.173 1.00 0.00 H new ATOM 0 HE2 MET A 58 9.745 7.040 1.549 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.159 7.467 -0.076 1.00 0.00 H new ATOM 920 N SER A 59 7.326 12.693 3.215 1.00 0.00 N ATOM 921 CA SER A 59 7.623 13.943 3.906 1.00 0.00 C ATOM 922 C SER A 59 9.127 14.188 3.966 1.00 0.00 C ATOM 923 O SER A 59 9.921 13.339 3.562 1.00 0.00 O ATOM 924 CB SER A 59 7.041 13.919 5.320 1.00 0.00 C ATOM 925 OG SER A 59 6.692 15.224 5.750 1.00 0.00 O ATOM 0 H SER A 59 7.361 11.864 3.809 1.00 0.00 H new ATOM 0 HA SER A 59 7.163 14.757 3.345 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.160 13.277 5.343 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.768 13.488 6.009 1.00 0.00 H new ATOM 0 HG SER A 59 6.321 15.182 6.656 1.00 0.00 H new ATOM 931 N ALA A 60 9.512 15.354 4.474 1.00 0.00 N ATOM 932 CA ALA A 60 10.921 15.711 4.587 1.00 0.00 C ATOM 933 C ALA A 60 11.298 15.998 6.037 1.00 0.00 C ATOM 934 O ALA A 60 11.940 17.006 6.335 1.00 0.00 O ATOM 935 CB ALA A 60 11.232 16.914 3.708 1.00 0.00 C ATOM 0 H ALA A 60 8.868 16.068 4.814 1.00 0.00 H new ATOM 0 HA ALA A 60 11.516 14.864 4.246 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.287 17.170 3.802 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.008 16.673 2.669 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.624 17.762 4.023 1.00 0.00 H new ATOM 941 N LYS A 61 10.896 15.105 6.935 1.00 0.00 N ATOM 942 CA LYS A 61 11.192 15.262 8.354 1.00 0.00 C ATOM 943 C LYS A 61 11.001 13.945 9.099 1.00 0.00 C ATOM 944 O LYS A 61 11.832 13.559 9.922 1.00 0.00 O ATOM 945 CB LYS A 61 10.298 16.342 8.967 1.00 0.00 C ATOM 946 CG LYS A 61 8.827 16.188 8.611 1.00 0.00 C ATOM 947 CD LYS A 61 8.024 15.633 9.776 1.00 0.00 C ATOM 948 CE LYS A 61 7.264 16.732 10.502 1.00 0.00 C ATOM 949 NZ LYS A 61 8.137 17.894 10.821 1.00 0.00 N ATOM 0 H LYS A 61 10.364 14.265 6.705 1.00 0.00 H new ATOM 0 HA LYS A 61 12.235 15.565 8.450 1.00 0.00 H new ATOM 0 HB2 LYS A 61 10.405 16.319 10.051 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.644 17.321 8.634 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.420 17.155 8.316 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.728 15.525 7.751 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.322 14.883 9.411 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.693 15.130 10.474 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.429 17.064 9.885 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.841 16.333 11.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.689 18.472 11.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.059 17.553 11.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.273 18.471 9.966 1.00 0.00 H new ATOM 963 N ASP A 62 9.902 13.258 8.805 1.00 0.00 N ATOM 964 CA ASP A 62 9.603 11.983 9.447 1.00 0.00 C ATOM 965 C ASP A 62 9.964 10.817 8.532 1.00 0.00 C ATOM 966 O ASP A 62 10.588 9.847 8.963 1.00 0.00 O ATOM 967 CB ASP A 62 8.122 11.913 9.825 1.00 0.00 C ATOM 968 CG ASP A 62 7.878 12.289 11.274 1.00 0.00 C ATOM 969 OD1 ASP A 62 8.601 11.772 12.151 1.00 0.00 O ATOM 970 OD2 ASP A 62 6.963 13.099 11.531 1.00 0.00 O ATOM 0 H ASP A 62 9.204 13.563 8.127 1.00 0.00 H new ATOM 0 HA ASP A 62 10.204 11.910 10.353 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.553 12.580 9.178 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.751 10.904 9.647 1.00 0.00 H new ATOM 975 N GLY A 63 9.565 10.917 7.269 1.00 0.00 N ATOM 976 CA GLY A 63 9.855 9.864 6.314 1.00 0.00 C ATOM 977 C GLY A 63 8.738 8.844 6.217 1.00 0.00 C ATOM 978 O GLY A 63 8.978 7.677 5.907 1.00 0.00 O ATOM 0 H GLY A 63 9.046 11.709 6.889 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.026 10.305 5.332 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.778 9.361 6.602 1.00 0.00 H new ATOM 982 N THR A 64 7.513 9.285 6.485 1.00 0.00 N ATOM 983 CA THR A 64 6.354 8.402 6.427 1.00 0.00 C ATOM 984 C THR A 64 5.560 8.630 5.145 1.00 0.00 C ATOM 985 O THR A 64 5.241 9.767 4.794 1.00 0.00 O ATOM 986 CB THR A 64 5.455 8.625 7.644 1.00 0.00 C ATOM 987 OG1 THR A 64 6.223 9.008 8.772 1.00 0.00 O ATOM 988 CG2 THR A 64 4.652 7.402 8.028 1.00 0.00 C ATOM 0 H THR A 64 7.298 10.248 6.744 1.00 0.00 H new ATOM 0 HA THR A 64 6.712 7.373 6.433 1.00 0.00 H new ATOM 0 HB THR A 64 4.764 9.415 7.351 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.630 9.148 9.540 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.036 7.629 8.898 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.011 7.112 7.196 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.329 6.582 8.267 1.00 0.00 H new ATOM 996 N CYS A 65 5.243 7.542 4.450 1.00 0.00 N ATOM 997 CA CYS A 65 4.486 7.623 3.206 1.00 0.00 C ATOM 998 C CYS A 65 2.986 7.579 3.477 1.00 0.00 C ATOM 999 O CYS A 65 2.484 6.641 4.095 1.00 0.00 O ATOM 1000 CB CYS A 65 4.880 6.480 2.269 1.00 0.00 C ATOM 1001 SG CYS A 65 6.430 6.757 1.377 1.00 0.00 S ATOM 0 H CYS A 65 5.499 6.594 4.727 1.00 0.00 H new ATOM 0 HA CYS A 65 4.723 8.574 2.728 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.967 5.562 2.850 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.080 6.325 1.546 1.00 0.00 H new ATOM 0 HG CYS A 65 7.392 6.111 1.967 1.00 0.00 H new ATOM 1007 N THR A 66 2.276 8.601 3.009 1.00 0.00 N ATOM 1008 CA THR A 66 0.832 8.679 3.200 1.00 0.00 C ATOM 1009 C THR A 66 0.099 8.542 1.869 1.00 0.00 C ATOM 1010 O THR A 66 0.514 9.109 0.859 1.00 0.00 O ATOM 1011 CB THR A 66 0.456 10.003 3.867 1.00 0.00 C ATOM 1012 OG1 THR A 66 1.390 11.015 3.535 1.00 0.00 O ATOM 1013 CG2 THR A 66 0.392 9.916 5.376 1.00 0.00 C ATOM 0 H THR A 66 2.677 9.386 2.495 1.00 0.00 H new ATOM 0 HA THR A 66 0.531 7.855 3.847 1.00 0.00 H new ATOM 0 HB THR A 66 -0.538 10.244 3.490 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.131 11.854 3.970 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.120 10.889 5.785 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.356 9.178 5.667 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.366 9.618 5.765 1.00 0.00 H new ATOM 1021 N LEU A 67 -0.994 7.785 1.876 1.00 0.00 N ATOM 1022 CA LEU A 67 -1.784 7.575 0.669 1.00 0.00 C ATOM 1023 C LEU A 67 -2.493 8.859 0.254 1.00 0.00 C ATOM 1024 O LEU A 67 -2.801 9.708 1.090 1.00 0.00 O ATOM 1025 CB LEU A 67 -2.809 6.461 0.892 1.00 0.00 C ATOM 1026 CG LEU A 67 -3.521 5.973 -0.371 1.00 0.00 C ATOM 1027 CD1 LEU A 67 -2.605 5.073 -1.185 1.00 0.00 C ATOM 1028 CD2 LEU A 67 -4.806 5.243 -0.010 1.00 0.00 C ATOM 0 H LEU A 67 -1.352 7.308 2.703 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.107 7.280 -0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.306 5.613 1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.559 6.815 1.600 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.778 6.840 -0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.128 4.735 -2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.713 5.628 -1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.317 4.210 -0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.299 4.903 -0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.572 4.384 0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.469 5.919 0.531 1.00 0.00 H new ATOM 1040 N GLN A 68 -2.749 8.996 -1.043 1.00 0.00 N ATOM 1041 CA GLN A 68 -3.421 10.178 -1.569 1.00 0.00 C ATOM 1042 C GLN A 68 -4.933 10.060 -1.410 1.00 0.00 C ATOM 1043 O GLN A 68 -5.446 9.015 -1.010 1.00 0.00 O ATOM 1044 CB GLN A 68 -3.064 10.380 -3.042 1.00 0.00 C ATOM 1045 CG GLN A 68 -1.573 10.536 -3.290 1.00 0.00 C ATOM 1046 CD GLN A 68 -1.262 11.032 -4.689 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -2.113 11.621 -5.354 1.00 0.00 O ATOM 1048 NE2 GLN A 68 -0.037 10.793 -5.142 1.00 0.00 N ATOM 0 H GLN A 68 -2.501 8.303 -1.749 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.081 11.043 -0.999 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.433 9.530 -3.617 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.580 11.265 -3.415 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -1.158 11.233 -2.561 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.080 9.577 -3.131 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.637 10.301 -4.555 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.230 11.102 -6.077 1.00 0.00 H new ATOM 1057 N ASP A 69 -5.641 11.138 -1.728 1.00 0.00 N ATOM 1058 CA ASP A 69 -7.096 11.158 -1.621 1.00 0.00 C ATOM 1059 C ASP A 69 -7.742 10.442 -2.803 1.00 0.00 C ATOM 1060 O ASP A 69 -8.828 9.876 -2.680 1.00 0.00 O ATOM 1061 CB ASP A 69 -7.602 12.600 -1.544 1.00 0.00 C ATOM 1062 CG ASP A 69 -8.759 12.757 -0.578 1.00 0.00 C ATOM 1063 OD1 ASP A 69 -8.780 12.038 0.444 1.00 0.00 O ATOM 1064 OD2 ASP A 69 -9.644 13.597 -0.843 1.00 0.00 O ATOM 0 H ASP A 69 -5.231 12.010 -2.062 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.374 10.632 -0.708 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.785 13.253 -1.237 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.914 12.926 -2.536 1.00 0.00 H new ATOM 1069 N CYS A 70 -7.068 10.471 -3.948 1.00 0.00 N ATOM 1070 CA CYS A 70 -7.579 9.826 -5.152 1.00 0.00 C ATOM 1071 C CYS A 70 -7.271 8.332 -5.145 1.00 0.00 C ATOM 1072 O CYS A 70 -8.067 7.521 -5.618 1.00 0.00 O ATOM 1073 CB CYS A 70 -6.977 10.475 -6.399 1.00 0.00 C ATOM 1074 SG CYS A 70 -5.171 10.410 -6.466 1.00 0.00 S ATOM 0 H CYS A 70 -6.167 10.934 -4.067 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.661 9.955 -5.169 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -7.381 9.982 -7.283 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -7.294 11.517 -6.442 1.00 0.00 H new ATOM 0 HG CYS A 70 -4.674 11.293 -5.651 1.00 0.00 H new ATOM 1080 N MET A 71 -6.111 7.974 -4.605 1.00 0.00 N ATOM 1081 CA MET A 71 -5.698 6.577 -4.538 1.00 0.00 C ATOM 1082 C MET A 71 -6.651 5.765 -3.665 1.00 0.00 C ATOM 1083 O MET A 71 -6.801 4.558 -3.853 1.00 0.00 O ATOM 1084 CB MET A 71 -4.272 6.470 -3.992 1.00 0.00 C ATOM 1085 CG MET A 71 -3.221 7.061 -4.918 1.00 0.00 C ATOM 1086 SD MET A 71 -3.245 6.316 -6.561 1.00 0.00 S ATOM 1087 CE MET A 71 -2.903 4.603 -6.162 1.00 0.00 C ATOM 0 H MET A 71 -5.440 8.632 -4.207 1.00 0.00 H new ATOM 0 HA MET A 71 -5.726 6.169 -5.549 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.222 6.977 -3.028 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.038 5.421 -3.813 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.384 8.135 -5.008 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.234 6.924 -4.476 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.313 4.154 -6.961 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.346 4.552 -5.227 1.00 0.00 H new ATOM 0 HE3 MET A 71 -3.842 4.060 -6.055 1.00 0.00 H new ATOM 1097 N TYR A 72 -7.291 6.434 -2.711 1.00 0.00 N ATOM 1098 CA TYR A 72 -8.229 5.771 -1.809 1.00 0.00 C ATOM 1099 C TYR A 72 -9.341 5.077 -2.591 1.00 0.00 C ATOM 1100 O TYR A 72 -9.885 4.065 -2.148 1.00 0.00 O ATOM 1101 CB TYR A 72 -8.832 6.784 -0.833 1.00 0.00 C ATOM 1102 CG TYR A 72 -8.090 6.874 0.481 1.00 0.00 C ATOM 1103 CD1 TYR A 72 -8.103 5.817 1.383 1.00 0.00 C ATOM 1104 CD2 TYR A 72 -7.376 8.016 0.820 1.00 0.00 C ATOM 1105 CE1 TYR A 72 -7.427 5.897 2.585 1.00 0.00 C ATOM 1106 CE2 TYR A 72 -6.697 8.104 2.020 1.00 0.00 C ATOM 1107 CZ TYR A 72 -6.725 7.041 2.899 1.00 0.00 C ATOM 1108 OH TYR A 72 -6.050 7.125 4.095 1.00 0.00 O ATOM 0 H TYR A 72 -7.178 7.434 -2.542 1.00 0.00 H new ATOM 0 HA TYR A 72 -7.680 5.016 -1.247 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -8.842 7.767 -1.303 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -9.870 6.514 -0.637 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.651 4.918 1.140 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.351 8.850 0.134 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -7.448 5.067 3.276 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.147 9.000 2.269 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.855 6.223 4.425 1.00 0.00 H new ATOM 1118 N LYS A 73 -9.675 5.626 -3.754 1.00 0.00 N ATOM 1119 CA LYS A 73 -10.721 5.059 -4.595 1.00 0.00 C ATOM 1120 C LYS A 73 -10.327 3.673 -5.096 1.00 0.00 C ATOM 1121 O LYS A 73 -11.169 2.782 -5.215 1.00 0.00 O ATOM 1122 CB LYS A 73 -11.006 5.980 -5.783 1.00 0.00 C ATOM 1123 CG LYS A 73 -11.623 7.311 -5.386 1.00 0.00 C ATOM 1124 CD LYS A 73 -13.138 7.221 -5.307 1.00 0.00 C ATOM 1125 CE LYS A 73 -13.790 7.619 -6.621 1.00 0.00 C ATOM 1126 NZ LYS A 73 -13.572 6.597 -7.682 1.00 0.00 N ATOM 0 H LYS A 73 -9.236 6.464 -4.135 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.624 4.965 -3.992 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.076 6.166 -6.319 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.676 5.470 -6.475 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.225 7.624 -4.421 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.340 8.075 -6.110 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.430 6.203 -5.049 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.501 7.869 -4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.860 7.760 -6.467 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.387 8.576 -6.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.216 6.780 -8.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.588 6.647 -8.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.759 5.650 -7.295 1.00 0.00 H new ATOM 1140 N ASP A 74 -9.042 3.498 -5.387 1.00 0.00 N ATOM 1141 CA ASP A 74 -8.536 2.221 -5.876 1.00 0.00 C ATOM 1142 C ASP A 74 -8.672 1.135 -4.813 1.00 0.00 C ATOM 1143 O ASP A 74 -8.825 -0.045 -5.132 1.00 0.00 O ATOM 1144 CB ASP A 74 -7.072 2.355 -6.298 1.00 0.00 C ATOM 1145 CG ASP A 74 -6.926 2.774 -7.749 1.00 0.00 C ATOM 1146 OD1 ASP A 74 -7.329 1.993 -8.636 1.00 0.00 O ATOM 1147 OD2 ASP A 74 -6.405 3.882 -7.997 1.00 0.00 O ATOM 0 H ASP A 74 -8.332 4.225 -5.293 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.132 1.933 -6.742 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.578 3.087 -5.659 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.563 1.403 -6.144 1.00 0.00 H new ATOM 1152 N VAL A 75 -8.616 1.539 -3.548 1.00 0.00 N ATOM 1153 CA VAL A 75 -8.733 0.600 -2.439 1.00 0.00 C ATOM 1154 C VAL A 75 -10.062 -0.145 -2.489 1.00 0.00 C ATOM 1155 O VAL A 75 -11.103 0.442 -2.784 1.00 0.00 O ATOM 1156 CB VAL A 75 -8.607 1.314 -1.079 1.00 0.00 C ATOM 1157 CG1 VAL A 75 -8.580 0.303 0.058 1.00 0.00 C ATOM 1158 CG2 VAL A 75 -7.365 2.194 -1.048 1.00 0.00 C ATOM 0 H VAL A 75 -8.490 2.511 -3.266 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.915 -0.113 -2.541 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.480 1.952 -0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.491 0.828 1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.502 -0.279 0.050 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.728 -0.365 -0.069 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.294 2.689 -0.080 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.479 1.579 -1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.431 2.945 -1.835 1.00 0.00 H new ATOM 1168 N GLN A 76 -10.019 -1.441 -2.199 1.00 0.00 N ATOM 1169 CA GLN A 76 -11.220 -2.268 -2.211 1.00 0.00 C ATOM 1170 C GLN A 76 -11.850 -2.331 -0.823 1.00 0.00 C ATOM 1171 O GLN A 76 -11.267 -1.863 0.155 1.00 0.00 O ATOM 1172 CB GLN A 76 -10.888 -3.680 -2.697 1.00 0.00 C ATOM 1173 CG GLN A 76 -10.156 -3.709 -4.029 1.00 0.00 C ATOM 1174 CD GLN A 76 -9.168 -4.854 -4.126 1.00 0.00 C ATOM 1175 OE1 GLN A 76 -8.810 -5.467 -3.120 1.00 0.00 O ATOM 1176 NE2 GLN A 76 -8.720 -5.148 -5.341 1.00 0.00 N ATOM 0 H GLN A 76 -9.165 -1.942 -1.953 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.936 -1.815 -2.896 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.277 -4.180 -1.945 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.812 -4.251 -2.787 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.883 -3.792 -4.837 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.628 -2.766 -4.170 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.044 -4.613 -6.147 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.052 -5.908 -5.468 1.00 0.00 H new ATOM 1185 N LYS A 77 -13.042 -2.913 -0.745 1.00 0.00 N ATOM 1186 CA LYS A 77 -13.751 -3.037 0.524 1.00 0.00 C ATOM 1187 C LYS A 77 -13.896 -4.502 0.925 1.00 0.00 C ATOM 1188 O LYS A 77 -14.866 -4.883 1.578 1.00 0.00 O ATOM 1189 CB LYS A 77 -15.130 -2.384 0.428 1.00 0.00 C ATOM 1190 CG LYS A 77 -15.109 -1.009 -0.223 1.00 0.00 C ATOM 1191 CD LYS A 77 -16.037 -0.943 -1.426 1.00 0.00 C ATOM 1192 CE LYS A 77 -17.496 -0.900 -1.000 1.00 0.00 C ATOM 1193 NZ LYS A 77 -17.972 -2.225 -0.514 1.00 0.00 N ATOM 0 H LYS A 77 -13.538 -3.306 -1.545 1.00 0.00 H new ATOM 0 HA LYS A 77 -13.167 -2.525 1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -15.793 -3.036 -0.141 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -15.552 -2.296 1.429 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.405 -0.256 0.507 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -14.092 -0.769 -0.534 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -15.804 -0.059 -2.019 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -15.869 -1.810 -2.065 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -17.622 -0.158 -0.212 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -18.111 -0.580 -1.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -19.003 -2.289 -0.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -17.512 -2.981 -1.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -17.734 -2.332 0.493 1.00 0.00 H new ATOM 1207 N ASP A 78 -12.924 -5.317 0.528 1.00 0.00 N ATOM 1208 CA ASP A 78 -12.943 -6.740 0.847 1.00 0.00 C ATOM 1209 C ASP A 78 -11.529 -7.307 0.890 1.00 0.00 C ATOM 1210 O ASP A 78 -11.310 -8.481 0.589 1.00 0.00 O ATOM 1211 CB ASP A 78 -13.781 -7.503 -0.181 1.00 0.00 C ATOM 1212 CG ASP A 78 -14.603 -8.609 0.449 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -15.587 -8.291 1.151 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -14.264 -9.793 0.241 1.00 0.00 O ATOM 0 H ASP A 78 -12.114 -5.017 -0.015 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.392 -6.860 1.833 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -14.446 -6.807 -0.693 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.123 -7.930 -0.938 1.00 0.00 H new ATOM 1219 N TRP A 79 -10.570 -6.466 1.265 1.00 0.00 N ATOM 1220 CA TRP A 79 -9.176 -6.885 1.347 1.00 0.00 C ATOM 1221 C TRP A 79 -9.008 -8.020 2.357 1.00 0.00 C ATOM 1222 O TRP A 79 -9.466 -7.918 3.495 1.00 0.00 O ATOM 1223 CB TRP A 79 -8.291 -5.700 1.743 1.00 0.00 C ATOM 1224 CG TRP A 79 -6.825 -5.987 1.629 1.00 0.00 C ATOM 1225 CD1 TRP A 79 -5.919 -6.045 2.649 1.00 0.00 C ATOM 1226 CD2 TRP A 79 -6.093 -6.251 0.427 1.00 0.00 C ATOM 1227 NE1 TRP A 79 -4.670 -6.332 2.155 1.00 0.00 N ATOM 1228 CE2 TRP A 79 -4.751 -6.463 0.793 1.00 0.00 C ATOM 1229 CE3 TRP A 79 -6.444 -6.331 -0.925 1.00 0.00 C ATOM 1230 CZ2 TRP A 79 -3.760 -6.748 -0.143 1.00 0.00 C ATOM 1231 CZ3 TRP A 79 -5.459 -6.615 -1.852 1.00 0.00 C ATOM 1232 CH2 TRP A 79 -4.130 -6.821 -1.457 1.00 0.00 C ATOM 0 H TRP A 79 -10.733 -5.491 1.517 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.871 -7.248 0.365 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -8.536 -4.846 1.112 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.519 -5.413 2.770 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -6.151 -5.888 3.692 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -3.821 -6.431 2.711 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.466 -6.174 -1.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -2.735 -6.906 0.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -5.718 -6.679 -2.899 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -3.383 -7.042 -2.206 1.00 0.00 H new ATOM 1243 N PRO A 80 -8.347 -9.122 1.956 1.00 0.00 N ATOM 1244 CA PRO A 80 -8.128 -10.272 2.841 1.00 0.00 C ATOM 1245 C PRO A 80 -7.180 -9.947 3.989 1.00 0.00 C ATOM 1246 O PRO A 80 -7.231 -10.575 5.047 1.00 0.00 O ATOM 1247 CB PRO A 80 -7.509 -11.325 1.918 1.00 0.00 C ATOM 1248 CG PRO A 80 -6.901 -10.550 0.801 1.00 0.00 C ATOM 1249 CD PRO A 80 -7.765 -9.335 0.619 1.00 0.00 C ATOM 0 HA PRO A 80 -9.052 -10.598 3.318 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -6.758 -11.917 2.442 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.264 -12.020 1.551 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.875 -10.267 1.036 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -6.866 -11.144 -0.112 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.182 -8.473 0.293 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -8.537 -9.500 -0.133 1.00 0.00 H new ATOM 1257 N GLY A 81 -6.312 -8.961 3.776 1.00 0.00 N ATOM 1258 CA GLY A 81 -5.364 -8.571 4.804 1.00 0.00 C ATOM 1259 C GLY A 81 -6.042 -8.182 6.104 1.00 0.00 C ATOM 1260 O GLY A 81 -5.519 -8.445 7.187 1.00 0.00 O ATOM 0 H GLY A 81 -6.249 -8.426 2.910 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.675 -9.395 4.990 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.768 -7.733 4.444 1.00 0.00 H new ATOM 1264 N TYR A 82 -7.209 -7.555 5.996 1.00 0.00 N ATOM 1265 CA TYR A 82 -7.958 -7.130 7.172 1.00 0.00 C ATOM 1266 C TYR A 82 -8.684 -8.311 7.811 1.00 0.00 C ATOM 1267 O TYR A 82 -8.467 -9.462 7.434 1.00 0.00 O ATOM 1268 CB TYR A 82 -8.966 -6.041 6.797 1.00 0.00 C ATOM 1269 CG TYR A 82 -8.363 -4.901 6.007 1.00 0.00 C ATOM 1270 CD1 TYR A 82 -7.110 -4.393 6.330 1.00 0.00 C ATOM 1271 CD2 TYR A 82 -9.046 -4.332 4.940 1.00 0.00 C ATOM 1272 CE1 TYR A 82 -6.556 -3.351 5.611 1.00 0.00 C ATOM 1273 CE2 TYR A 82 -8.498 -3.290 4.216 1.00 0.00 C ATOM 1274 CZ TYR A 82 -7.254 -2.803 4.555 1.00 0.00 C ATOM 1275 OH TYR A 82 -6.706 -1.764 3.837 1.00 0.00 O ATOM 0 H TYR A 82 -7.656 -7.330 5.107 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.250 -6.726 7.895 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.772 -6.489 6.215 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -9.414 -5.643 7.708 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.561 -4.820 7.156 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.021 -4.710 4.672 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.581 -2.968 5.875 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.042 -2.859 3.388 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.782 -1.617 4.128 1.00 0.00 H new ATOM 1285 N SER A 83 -9.545 -8.015 8.779 1.00 0.00 N ATOM 1286 CA SER A 83 -10.303 -9.053 9.470 1.00 0.00 C ATOM 1287 C SER A 83 -11.588 -8.484 10.062 1.00 0.00 C ATOM 1288 O SER A 83 -12.685 -8.770 9.582 1.00 0.00 O ATOM 1289 CB SER A 83 -9.455 -9.684 10.575 1.00 0.00 C ATOM 1290 OG SER A 83 -8.609 -10.695 10.054 1.00 0.00 O ATOM 0 H SER A 83 -9.735 -7.067 9.103 1.00 0.00 H new ATOM 0 HA SER A 83 -10.567 -9.820 8.742 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.853 -8.915 11.059 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.106 -10.108 11.340 1.00 0.00 H new ATOM 0 HG SER A 83 -8.415 -10.506 9.112 1.00 0.00 H new ATOM 1296 N GLU A 84 -11.444 -7.675 11.107 1.00 0.00 N ATOM 1297 CA GLU A 84 -12.593 -7.065 11.765 1.00 0.00 C ATOM 1298 C GLU A 84 -12.239 -5.685 12.310 1.00 0.00 C ATOM 1299 O GLU A 84 -12.977 -4.720 12.110 1.00 0.00 O ATOM 1300 CB GLU A 84 -13.093 -7.961 12.899 1.00 0.00 C ATOM 1301 CG GLU A 84 -14.605 -7.960 13.055 1.00 0.00 C ATOM 1302 CD GLU A 84 -15.253 -9.197 12.464 1.00 0.00 C ATOM 1303 OE1 GLU A 84 -15.269 -9.323 11.222 1.00 0.00 O ATOM 1304 OE2 GLU A 84 -15.745 -10.039 13.244 1.00 0.00 O ATOM 0 H GLU A 84 -10.543 -7.427 11.516 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.385 -6.951 11.025 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.755 -8.982 12.720 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.639 -7.635 13.835 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.857 -7.893 14.113 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -15.016 -7.073 12.572 1.00 0.00 H new ATOM 1311 N GLY A 85 -11.106 -5.600 12.999 1.00 0.00 N ATOM 1312 CA GLY A 85 -10.675 -4.334 13.562 1.00 0.00 C ATOM 1313 C GLY A 85 -10.118 -3.392 12.512 1.00 0.00 C ATOM 1314 O GLY A 85 -10.452 -2.207 12.493 1.00 0.00 O ATOM 0 H GLY A 85 -10.479 -6.385 13.177 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.517 -3.857 14.063 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.915 -4.518 14.321 1.00 0.00 H new ATOM 1318 N ASP A 86 -9.268 -3.918 11.638 1.00 0.00 N ATOM 1319 CA ASP A 86 -8.664 -3.116 10.580 1.00 0.00 C ATOM 1320 C ASP A 86 -9.714 -2.667 9.570 1.00 0.00 C ATOM 1321 O ASP A 86 -9.662 -1.548 9.060 1.00 0.00 O ATOM 1322 CB ASP A 86 -7.566 -3.913 9.872 1.00 0.00 C ATOM 1323 CG ASP A 86 -6.311 -4.040 10.712 1.00 0.00 C ATOM 1324 OD1 ASP A 86 -6.319 -4.839 11.673 1.00 0.00 O ATOM 1325 OD2 ASP A 86 -5.320 -3.342 10.410 1.00 0.00 O ATOM 0 H ASP A 86 -8.981 -4.897 11.641 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.224 -2.230 11.037 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.941 -4.908 9.631 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.320 -3.428 8.927 1.00 0.00 H new ATOM 1330 N GLN A 87 -10.667 -3.549 9.283 1.00 0.00 N ATOM 1331 CA GLN A 87 -11.730 -3.243 8.333 1.00 0.00 C ATOM 1332 C GLN A 87 -12.529 -2.024 8.782 1.00 0.00 C ATOM 1333 O GLN A 87 -12.906 -1.182 7.967 1.00 0.00 O ATOM 1334 CB GLN A 87 -12.660 -4.446 8.170 1.00 0.00 C ATOM 1335 CG GLN A 87 -12.036 -5.597 7.399 1.00 0.00 C ATOM 1336 CD GLN A 87 -13.074 -6.520 6.788 1.00 0.00 C ATOM 1337 OE1 GLN A 87 -14.185 -6.098 6.469 1.00 0.00 O ATOM 1338 NE2 GLN A 87 -12.715 -7.788 6.622 1.00 0.00 N ATOM 0 H GLN A 87 -10.724 -4.480 9.695 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.268 -3.017 7.372 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.959 -4.800 9.157 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.568 -4.126 7.658 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -11.400 -5.198 6.609 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -11.393 -6.171 8.067 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -11.783 -8.095 6.901 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.371 -8.455 6.216 1.00 0.00 H new ATOM 1347 N GLN A 88 -12.783 -1.936 10.083 1.00 0.00 N ATOM 1348 CA GLN A 88 -13.537 -0.819 10.641 1.00 0.00 C ATOM 1349 C GLN A 88 -12.726 0.470 10.575 1.00 0.00 C ATOM 1350 O GLN A 88 -13.272 1.547 10.336 1.00 0.00 O ATOM 1351 CB GLN A 88 -13.931 -1.114 12.090 1.00 0.00 C ATOM 1352 CG GLN A 88 -15.203 -1.936 12.218 1.00 0.00 C ATOM 1353 CD GLN A 88 -15.896 -1.730 13.552 1.00 0.00 C ATOM 1354 OE1 GLN A 88 -15.809 -2.572 14.446 1.00 0.00 O ATOM 1355 NE2 GLN A 88 -16.591 -0.606 13.691 1.00 0.00 N ATOM 0 H GLN A 88 -12.478 -2.625 10.771 1.00 0.00 H new ATOM 0 HA GLN A 88 -14.441 -0.690 10.046 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -13.114 -1.645 12.579 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.062 -0.171 12.621 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -15.887 -1.669 11.412 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -14.963 -2.992 12.096 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -16.636 0.064 12.923 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -17.080 -0.413 14.565 1.00 0.00 H new ATOM 1364 N LEU A 89 -11.419 0.352 10.789 1.00 0.00 N ATOM 1365 CA LEU A 89 -10.532 1.508 10.754 1.00 0.00 C ATOM 1366 C LEU A 89 -10.429 2.079 9.341 1.00 0.00 C ATOM 1367 O LEU A 89 -10.118 3.256 9.160 1.00 0.00 O ATOM 1368 CB LEU A 89 -9.140 1.124 11.262 1.00 0.00 C ATOM 1369 CG LEU A 89 -8.170 2.294 11.438 1.00 0.00 C ATOM 1370 CD1 LEU A 89 -8.179 2.780 12.879 1.00 0.00 C ATOM 1371 CD2 LEU A 89 -6.765 1.891 11.019 1.00 0.00 C ATOM 0 H LEU A 89 -10.952 -0.532 10.988 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.953 2.274 11.405 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.247 0.613 12.219 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.701 0.409 10.567 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.497 3.112 10.796 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.484 3.612 12.987 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.183 3.109 13.146 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.877 1.967 13.539 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.089 2.736 11.151 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.427 1.057 11.634 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.770 1.591 9.971 1.00 0.00 H new ATOM 1383 N LEU A 90 -10.692 1.239 8.344 1.00 0.00 N ATOM 1384 CA LEU A 90 -10.627 1.664 6.951 1.00 0.00 C ATOM 1385 C LEU A 90 -11.872 2.454 6.562 1.00 0.00 C ATOM 1386 O LEU A 90 -11.809 3.363 5.734 1.00 0.00 O ATOM 1387 CB LEU A 90 -10.472 0.450 6.033 1.00 0.00 C ATOM 1388 CG LEU A 90 -10.176 0.779 4.569 1.00 0.00 C ATOM 1389 CD1 LEU A 90 -8.676 0.882 4.338 1.00 0.00 C ATOM 1390 CD2 LEU A 90 -10.786 -0.272 3.653 1.00 0.00 C ATOM 0 H LEU A 90 -10.952 0.261 8.475 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.758 2.312 6.836 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.668 -0.177 6.418 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -11.387 -0.140 6.079 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.627 1.743 4.335 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.484 1.117 3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.264 1.671 4.968 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.203 -0.067 4.590 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.566 -0.022 2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.364 -1.249 3.889 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -11.866 -0.299 3.798 1.00 0.00 H new ATOM 1402 N LYS A 91 -13.004 2.101 7.162 1.00 0.00 N ATOM 1403 CA LYS A 91 -14.265 2.777 6.876 1.00 0.00 C ATOM 1404 C LYS A 91 -14.201 4.249 7.271 1.00 0.00 C ATOM 1405 O LYS A 91 -14.544 5.128 6.482 1.00 0.00 O ATOM 1406 CB LYS A 91 -15.415 2.089 7.614 1.00 0.00 C ATOM 1407 CG LYS A 91 -15.571 0.619 7.262 1.00 0.00 C ATOM 1408 CD LYS A 91 -16.112 0.438 5.853 1.00 0.00 C ATOM 1409 CE LYS A 91 -17.612 0.190 5.860 1.00 0.00 C ATOM 1410 NZ LYS A 91 -18.380 1.439 6.118 1.00 0.00 N ATOM 0 H LYS A 91 -13.074 1.351 7.849 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.442 2.717 5.802 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -15.253 2.182 8.688 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -16.345 2.609 7.386 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -14.607 0.118 7.350 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -16.244 0.142 7.975 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -15.892 1.326 5.261 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -15.606 -0.399 5.372 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -17.915 -0.231 4.901 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -17.854 -0.549 6.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -19.382 1.285 5.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -18.295 1.698 7.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -18.001 2.208 5.529 1.00 0.00 H new ATOM 1424 N ARG A 92 -13.759 4.509 8.497 1.00 0.00 N ATOM 1425 CA ARG A 92 -13.650 5.875 8.997 1.00 0.00 C ATOM 1426 C ARG A 92 -12.743 6.715 8.103 1.00 0.00 C ATOM 1427 O ARG A 92 -12.938 7.923 7.964 1.00 0.00 O ATOM 1428 CB ARG A 92 -13.112 5.874 10.429 1.00 0.00 C ATOM 1429 CG ARG A 92 -11.798 5.127 10.581 1.00 0.00 C ATOM 1430 CD ARG A 92 -10.881 5.808 11.585 1.00 0.00 C ATOM 1431 NE ARG A 92 -11.520 5.965 12.890 1.00 0.00 N ATOM 1432 CZ ARG A 92 -10.851 6.191 14.020 1.00 0.00 C ATOM 1433 NH1 ARG A 92 -9.527 6.288 14.007 1.00 0.00 N ATOM 1434 NH2 ARG A 92 -11.508 6.322 15.163 1.00 0.00 N ATOM 0 H ARG A 92 -13.470 3.792 9.163 1.00 0.00 H new ATOM 0 HA ARG A 92 -14.646 6.317 8.989 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.976 6.904 10.758 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.855 5.424 11.088 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.995 4.104 10.902 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.299 5.067 9.614 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -9.968 5.224 11.696 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.589 6.787 11.204 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.537 5.898 12.939 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -9.017 6.189 13.129 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -9.020 6.461 14.875 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.525 6.250 15.178 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -10.996 6.495 16.028 1.00 0.00 H new ATOM 1448 N VAL A 93 -11.751 6.068 7.500 1.00 0.00 N ATOM 1449 CA VAL A 93 -10.813 6.757 6.621 1.00 0.00 C ATOM 1450 C VAL A 93 -11.456 7.078 5.275 1.00 0.00 C ATOM 1451 O VAL A 93 -11.377 8.207 4.793 1.00 0.00 O ATOM 1452 CB VAL A 93 -9.544 5.916 6.384 1.00 0.00 C ATOM 1453 CG1 VAL A 93 -8.513 6.712 5.596 1.00 0.00 C ATOM 1454 CG2 VAL A 93 -8.962 5.440 7.707 1.00 0.00 C ATOM 0 H VAL A 93 -11.576 5.069 7.604 1.00 0.00 H new ATOM 0 HA VAL A 93 -10.536 7.686 7.119 1.00 0.00 H new ATOM 0 HB VAL A 93 -9.818 5.039 5.797 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.624 6.101 5.439 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.933 6.997 4.631 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.243 7.609 6.153 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.067 4.848 7.519 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.704 6.302 8.322 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.698 4.829 8.229 1.00 0.00 H new ATOM 1464 N LEU A 94 -12.091 6.077 4.675 1.00 0.00 N ATOM 1465 CA LEU A 94 -12.746 6.252 3.383 1.00 0.00 C ATOM 1466 C LEU A 94 -13.807 7.348 3.451 1.00 0.00 C ATOM 1467 O LEU A 94 -14.079 8.024 2.460 1.00 0.00 O ATOM 1468 CB LEU A 94 -13.384 4.938 2.930 1.00 0.00 C ATOM 1469 CG LEU A 94 -12.406 3.778 2.735 1.00 0.00 C ATOM 1470 CD1 LEU A 94 -13.140 2.448 2.786 1.00 0.00 C ATOM 1471 CD2 LEU A 94 -11.658 3.927 1.420 1.00 0.00 C ATOM 0 H LEU A 94 -12.166 5.136 5.062 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.988 6.551 2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -14.133 4.643 3.665 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.910 5.112 1.991 1.00 0.00 H new ATOM 0 HG LEU A 94 -11.679 3.800 3.547 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -12.429 1.634 2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -13.629 2.339 3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -13.889 2.415 1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.967 3.093 1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -12.370 3.932 0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -11.100 4.863 1.423 1.00 0.00 H new ATOM 1483 N VAL A 95 -14.403 7.517 4.627 1.00 0.00 N ATOM 1484 CA VAL A 95 -15.433 8.530 4.822 1.00 0.00 C ATOM 1485 C VAL A 95 -14.816 9.886 5.149 1.00 0.00 C ATOM 1486 O VAL A 95 -15.237 10.914 4.619 1.00 0.00 O ATOM 1487 CB VAL A 95 -16.404 8.134 5.951 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -17.570 9.109 6.020 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -16.900 6.708 5.756 1.00 0.00 C ATOM 0 H VAL A 95 -14.190 6.966 5.458 1.00 0.00 H new ATOM 0 HA VAL A 95 -15.987 8.602 3.886 1.00 0.00 H new ATOM 0 HB VAL A 95 -15.867 8.179 6.899 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -18.245 8.813 6.823 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -17.193 10.113 6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -18.108 9.100 5.072 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -17.584 6.447 6.563 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -17.419 6.631 4.801 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -16.052 6.023 5.764 1.00 0.00 H new ATOM 1499 N ARG A 96 -13.817 9.880 6.025 1.00 0.00 N ATOM 1500 CA ARG A 96 -13.142 11.111 6.422 1.00 0.00 C ATOM 1501 C ARG A 96 -12.332 11.686 5.266 1.00 0.00 C ATOM 1502 O ARG A 96 -12.209 12.904 5.125 1.00 0.00 O ATOM 1503 CB ARG A 96 -12.229 10.853 7.621 1.00 0.00 C ATOM 1504 CG ARG A 96 -12.972 10.772 8.946 1.00 0.00 C ATOM 1505 CD ARG A 96 -12.297 11.612 10.018 1.00 0.00 C ATOM 1506 NE ARG A 96 -12.783 11.285 11.356 1.00 0.00 N ATOM 1507 CZ ARG A 96 -12.453 10.176 12.015 1.00 0.00 C ATOM 1508 NH1 ARG A 96 -11.638 9.285 11.464 1.00 0.00 N ATOM 1509 NH2 ARG A 96 -12.941 9.957 13.229 1.00 0.00 N ATOM 0 H ARG A 96 -13.457 9.038 6.473 1.00 0.00 H new ATOM 0 HA ARG A 96 -13.904 11.838 6.704 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -11.687 9.921 7.460 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.486 11.648 7.679 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -13.999 11.112 8.809 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -13.021 9.734 9.274 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -11.219 11.456 9.976 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.474 12.668 9.816 1.00 0.00 H new ATOM 0 HE ARG A 96 -13.412 11.945 11.813 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -11.261 9.448 10.530 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -11.389 8.438 11.974 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -13.568 10.638 13.657 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -12.689 9.108 13.734 1.00 0.00 H new ATOM 1523 N LYS A 97 -11.779 10.803 4.441 1.00 0.00 N ATOM 1524 CA LYS A 97 -10.978 11.223 3.297 1.00 0.00 C ATOM 1525 C LYS A 97 -11.866 11.770 2.183 1.00 0.00 C ATOM 1526 O LYS A 97 -11.871 12.972 1.913 1.00 0.00 O ATOM 1527 CB LYS A 97 -10.146 10.052 2.774 1.00 0.00 C ATOM 1528 CG LYS A 97 -9.083 9.578 3.751 1.00 0.00 C ATOM 1529 CD LYS A 97 -7.934 10.568 3.847 1.00 0.00 C ATOM 1530 CE LYS A 97 -7.100 10.334 5.097 1.00 0.00 C ATOM 1531 NZ LYS A 97 -5.646 10.517 4.839 1.00 0.00 N ATOM 0 H LYS A 97 -11.871 9.792 4.543 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.308 12.017 3.626 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.811 9.220 2.541 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.665 10.347 1.841 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.529 9.439 4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.703 8.607 3.434 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.301 10.479 2.964 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.328 11.584 3.856 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.419 11.022 5.880 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -7.278 9.325 5.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.114 10.348 5.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.335 9.843 4.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.471 11.488 4.509 1.00 0.00 H new ATOM 1545 N LEU A 98 -12.615 10.881 1.539 1.00 0.00 N ATOM 1546 CA LEU A 98 -13.506 11.275 0.455 1.00 0.00 C ATOM 1547 C LEU A 98 -14.550 12.274 0.944 1.00 0.00 C ATOM 1548 O LEU A 98 -15.536 11.895 1.576 1.00 0.00 O ATOM 1549 CB LEU A 98 -14.197 10.045 -0.138 1.00 0.00 C ATOM 1550 CG LEU A 98 -13.263 8.893 -0.508 1.00 0.00 C ATOM 1551 CD1 LEU A 98 -14.052 7.730 -1.088 1.00 0.00 C ATOM 1552 CD2 LEU A 98 -12.203 9.364 -1.494 1.00 0.00 C ATOM 0 H LEU A 98 -12.622 9.883 1.749 1.00 0.00 H new ATOM 0 HA LEU A 98 -12.906 11.754 -0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -14.933 9.680 0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -14.744 10.350 -1.030 1.00 0.00 H new ATOM 0 HG LEU A 98 -12.764 8.550 0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -13.370 6.920 -1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -14.774 7.377 -0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -14.579 8.059 -1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.546 8.532 -1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.686 9.733 -2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -11.617 10.165 -1.043 1.00 0.00 H new ATOM 1564 N SER A 99 -14.326 13.549 0.648 1.00 0.00 N ATOM 1565 CA SER A 99 -15.248 14.602 1.058 1.00 0.00 C ATOM 1566 C SER A 99 -16.179 14.987 -0.087 1.00 0.00 C ATOM 1567 O SER A 99 -17.377 15.183 0.114 1.00 0.00 O ATOM 1568 CB SER A 99 -14.471 15.832 1.536 1.00 0.00 C ATOM 1569 OG SER A 99 -13.481 15.473 2.483 1.00 0.00 O ATOM 0 H SER A 99 -13.514 13.879 0.126 1.00 0.00 H new ATOM 0 HA SER A 99 -15.853 14.221 1.881 1.00 0.00 H new ATOM 0 HB2 SER A 99 -14.002 16.324 0.684 1.00 0.00 H new ATOM 0 HB3 SER A 99 -15.159 16.551 1.980 1.00 0.00 H new ATOM 0 HG SER A 99 -12.927 14.751 2.120 1.00 0.00 H new ATOM 1575 N GLY A 100 -15.619 15.093 -1.287 1.00 0.00 N ATOM 1576 CA GLY A 100 -16.413 15.454 -2.447 1.00 0.00 C ATOM 1577 C GLY A 100 -15.577 16.079 -3.551 1.00 0.00 C ATOM 1578 O GLY A 100 -15.026 17.165 -3.371 1.00 0.00 O ATOM 0 H GLY A 100 -14.629 14.935 -1.477 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -16.913 14.565 -2.833 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -17.193 16.153 -2.146 1.00 0.00 H new ATOM 1582 N PRO A 101 -15.460 15.416 -4.716 1.00 0.00 N ATOM 1583 CA PRO A 101 -14.677 15.935 -5.842 1.00 0.00 C ATOM 1584 C PRO A 101 -15.311 17.173 -6.465 1.00 0.00 C ATOM 1585 O PRO A 101 -16.491 17.454 -6.252 1.00 0.00 O ATOM 1586 CB PRO A 101 -14.674 14.775 -6.843 1.00 0.00 C ATOM 1587 CG PRO A 101 -15.895 13.989 -6.515 1.00 0.00 C ATOM 1588 CD PRO A 101 -16.081 14.114 -5.028 1.00 0.00 C ATOM 0 HA PRO A 101 -13.680 16.249 -5.533 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -14.701 15.138 -7.870 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.774 14.168 -6.743 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -16.763 14.374 -7.051 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -15.778 12.945 -6.807 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -17.135 14.095 -4.752 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -15.596 13.298 -4.492 1.00 0.00 H new ATOM 1596 N SER A 102 -14.520 17.912 -7.236 1.00 0.00 N ATOM 1597 CA SER A 102 -15.004 19.122 -7.890 1.00 0.00 C ATOM 1598 C SER A 102 -14.306 19.334 -9.229 1.00 0.00 C ATOM 1599 O SER A 102 -13.093 19.158 -9.343 1.00 0.00 O ATOM 1600 CB SER A 102 -14.782 20.338 -6.989 1.00 0.00 C ATOM 1601 OG SER A 102 -15.225 21.528 -7.618 1.00 0.00 O ATOM 0 H SER A 102 -13.541 17.694 -7.423 1.00 0.00 H new ATOM 0 HA SER A 102 -16.072 19.003 -8.072 1.00 0.00 H new ATOM 0 HB2 SER A 102 -15.316 20.200 -6.049 1.00 0.00 H new ATOM 0 HB3 SER A 102 -13.723 20.425 -6.745 1.00 0.00 H new ATOM 0 HG SER A 102 -15.073 22.290 -7.020 1.00 0.00 H new ATOM 1607 N SER A 103 -15.080 19.715 -10.241 1.00 0.00 N ATOM 1608 CA SER A 103 -14.536 19.950 -11.573 1.00 0.00 C ATOM 1609 C SER A 103 -15.457 20.854 -12.385 1.00 0.00 C ATOM 1610 O SER A 103 -16.675 20.672 -12.389 1.00 0.00 O ATOM 1611 CB SER A 103 -14.328 18.623 -12.305 1.00 0.00 C ATOM 1612 OG SER A 103 -13.124 18.636 -13.053 1.00 0.00 O ATOM 0 H SER A 103 -16.086 19.867 -10.163 1.00 0.00 H new ATOM 0 HA SER A 103 -13.573 20.449 -11.462 1.00 0.00 H new ATOM 0 HB2 SER A 103 -14.303 17.806 -11.584 1.00 0.00 H new ATOM 0 HB3 SER A 103 -15.171 18.435 -12.970 1.00 0.00 H new ATOM 0 HG SER A 103 -13.013 17.776 -13.510 1.00 0.00 H new ATOM 1618 N GLY A 104 -14.869 21.828 -13.072 1.00 0.00 N ATOM 1619 CA GLY A 104 -15.652 22.745 -13.879 1.00 0.00 C ATOM 1620 C GLY A 104 -16.090 22.132 -15.195 1.00 0.00 C ATOM 1621 O GLY A 104 -15.236 21.986 -16.093 1.00 0.00 O ATOM 1622 OXT GLY A 104 -17.286 21.799 -15.325 1.00 0.00 O ATOM 0 H GLY A 104 -13.863 21.999 -13.084 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -16.532 23.058 -13.317 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.065 23.642 -14.077 1.00 0.00 H new TER 1626 GLY A 104