USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 882 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -121:sc= -0.0576 (180deg=-0.469) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0 (180deg=-0.00546) USER MOD Single : A 2 THR OG1 : rot 5:sc= 0.775! USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -3.09! C(o=-3.1!,f=-8.6!) USER MOD Single : A 16 LYS NZ :NH3+ -141:sc= -0.354 (180deg=-1.6!) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.402 K(o=-0.4,f=-2.6!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0305 USER MOD Single : A 26 SER OG : rot 48:sc= 0.301 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0.0956 USER MOD Single : A 34 SER OG : rot 180:sc= -0.478 USER MOD Single : A 36 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.61) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.358) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -2.02 K(o=-2,f=-3.9!) USER MOD Single : A 59 CYS SG : rot -10:sc= -13! USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.548 K(o=-0.55,f=-3.2!) USER MOD Single : A 67 TYR OH : rot 146:sc= 0.0976 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0953 USER MOD Single : A 76 LYS NZ :NH3+ 154:sc= -0.792 (180deg=-1.54!) USER MOD Single : A 85 LYS NZ :NH3+ -140:sc= -0.335 (180deg=-1.72!) USER MOD Single : A 86 THR OG1 : rot -157:sc= -5.59! USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 42.494 -15.060 -6.185 1.00 0.00 N ATOM 2 CA MET A 1 41.063 -15.220 -6.568 1.00 0.00 C ATOM 3 C MET A 1 40.788 -14.441 -7.856 1.00 0.00 C ATOM 4 O MET A 1 41.164 -13.292 -7.990 1.00 0.00 O ATOM 5 CB MET A 1 40.171 -14.683 -5.447 1.00 0.00 C ATOM 6 CG MET A 1 40.235 -15.628 -4.246 1.00 0.00 C ATOM 7 SD MET A 1 38.616 -15.682 -3.436 1.00 0.00 S ATOM 8 CE MET A 1 37.774 -16.703 -4.671 1.00 0.00 C ATOM 0 H1 MET A 1 42.689 -15.617 -5.329 1.00 0.00 H new ATOM 0 H2 MET A 1 43.101 -15.395 -6.961 1.00 0.00 H new ATOM 0 H3 MET A 1 42.693 -14.057 -5.998 1.00 0.00 H new ATOM 0 HA MET A 1 40.847 -16.276 -6.730 1.00 0.00 H new ATOM 0 HB2 MET A 1 40.497 -13.685 -5.155 1.00 0.00 H new ATOM 0 HB3 MET A 1 39.143 -14.593 -5.798 1.00 0.00 H new ATOM 0 HG2 MET A 1 40.525 -16.627 -4.571 1.00 0.00 H new ATOM 0 HG3 MET A 1 40.995 -15.288 -3.542 1.00 0.00 H new ATOM 0 HE1 MET A 1 36.917 -16.159 -5.070 1.00 0.00 H new ATOM 0 HE2 MET A 1 38.464 -16.937 -5.481 1.00 0.00 H new ATOM 0 HE3 MET A 1 37.432 -17.628 -4.207 1.00 0.00 H new ATOM 20 N THR A 2 40.135 -15.055 -8.804 1.00 0.00 N ATOM 21 CA THR A 2 39.835 -14.349 -10.082 1.00 0.00 C ATOM 22 C THR A 2 38.493 -14.837 -10.631 1.00 0.00 C ATOM 23 O THR A 2 38.333 -15.994 -10.966 1.00 0.00 O ATOM 24 CB THR A 2 40.939 -14.646 -11.100 1.00 0.00 C ATOM 25 OG1 THR A 2 40.803 -15.980 -11.570 1.00 0.00 O ATOM 26 CG2 THR A 2 42.307 -14.474 -10.437 1.00 0.00 C ATOM 0 H THR A 2 39.796 -16.015 -8.749 1.00 0.00 H new ATOM 0 HA THR A 2 39.786 -13.275 -9.901 1.00 0.00 H new ATOM 0 HB THR A 2 40.855 -13.955 -11.939 1.00 0.00 H new ATOM 0 HG1 THR A 2 39.993 -16.380 -11.190 1.00 0.00 H new ATOM 0 HG21 THR A 2 43.092 -14.686 -11.163 1.00 0.00 H new ATOM 0 HG22 THR A 2 42.411 -13.450 -10.078 1.00 0.00 H new ATOM 0 HG23 THR A 2 42.394 -15.163 -9.597 1.00 0.00 H new ATOM 34 N VAL A 3 37.526 -13.966 -10.725 1.00 0.00 N ATOM 35 CA VAL A 3 36.198 -14.386 -11.254 1.00 0.00 C ATOM 36 C VAL A 3 36.317 -14.696 -12.747 1.00 0.00 C ATOM 37 O VAL A 3 36.912 -13.951 -13.500 1.00 0.00 O ATOM 38 CB VAL A 3 35.184 -13.260 -11.050 1.00 0.00 C ATOM 39 CG1 VAL A 3 33.792 -13.747 -11.459 1.00 0.00 C ATOM 40 CG2 VAL A 3 35.166 -12.848 -9.576 1.00 0.00 C ATOM 0 H VAL A 3 37.598 -12.984 -10.459 1.00 0.00 H new ATOM 0 HA VAL A 3 35.864 -15.277 -10.722 1.00 0.00 H new ATOM 0 HB VAL A 3 35.465 -12.404 -11.663 1.00 0.00 H new ATOM 0 HG11 VAL A 3 33.069 -12.945 -11.314 1.00 0.00 H new ATOM 0 HG12 VAL A 3 33.803 -14.040 -12.509 1.00 0.00 H new ATOM 0 HG13 VAL A 3 33.512 -14.604 -10.846 1.00 0.00 H new ATOM 0 HG21 VAL A 3 34.443 -12.045 -9.431 1.00 0.00 H new ATOM 0 HG22 VAL A 3 34.885 -13.704 -8.962 1.00 0.00 H new ATOM 0 HG23 VAL A 3 36.157 -12.501 -9.283 1.00 0.00 H new ATOM 50 N ILE A 4 35.752 -15.789 -13.182 1.00 0.00 N ATOM 51 CA ILE A 4 35.829 -16.145 -14.625 1.00 0.00 C ATOM 52 C ILE A 4 34.414 -16.292 -15.186 1.00 0.00 C ATOM 53 O ILE A 4 33.958 -15.482 -15.969 1.00 0.00 O ATOM 54 CB ILE A 4 36.581 -17.466 -14.786 1.00 0.00 C ATOM 55 CG1 ILE A 4 37.942 -17.363 -14.092 1.00 0.00 C ATOM 56 CG2 ILE A 4 36.790 -17.758 -16.273 1.00 0.00 C ATOM 57 CD1 ILE A 4 38.523 -18.765 -13.892 1.00 0.00 C ATOM 0 H ILE A 4 35.240 -16.451 -12.599 1.00 0.00 H new ATOM 0 HA ILE A 4 36.357 -15.360 -15.166 1.00 0.00 H new ATOM 0 HB ILE A 4 36.001 -18.272 -14.336 1.00 0.00 H new ATOM 0 HG12 ILE A 4 38.623 -16.758 -14.691 1.00 0.00 H new ATOM 0 HG13 ILE A 4 37.834 -16.862 -13.130 1.00 0.00 H new ATOM 0 HG21 ILE A 4 37.326 -18.700 -16.387 1.00 0.00 H new ATOM 0 HG22 ILE A 4 35.822 -17.829 -16.769 1.00 0.00 H new ATOM 0 HG23 ILE A 4 37.371 -16.953 -16.724 1.00 0.00 H new ATOM 0 HD11 ILE A 4 39.492 -18.690 -13.398 1.00 0.00 H new ATOM 0 HD12 ILE A 4 37.845 -19.355 -13.275 1.00 0.00 H new ATOM 0 HD13 ILE A 4 38.646 -19.249 -14.861 1.00 0.00 H new ATOM 69 N LYS A 5 33.714 -17.320 -14.791 1.00 0.00 N ATOM 70 CA LYS A 5 32.329 -17.519 -15.300 1.00 0.00 C ATOM 71 C LYS A 5 32.298 -17.262 -16.810 1.00 0.00 C ATOM 72 O LYS A 5 31.941 -16.186 -17.246 1.00 0.00 O ATOM 73 CB LYS A 5 31.382 -16.545 -14.596 1.00 0.00 C ATOM 74 CG LYS A 5 30.338 -17.331 -13.801 1.00 0.00 C ATOM 75 CD LYS A 5 28.946 -16.762 -14.083 1.00 0.00 C ATOM 76 CE LYS A 5 27.986 -17.903 -14.426 1.00 0.00 C ATOM 77 NZ LYS A 5 26.723 -17.739 -13.650 1.00 0.00 N ATOM 0 H LYS A 5 34.042 -18.031 -14.137 1.00 0.00 H new ATOM 0 HA LYS A 5 32.011 -18.542 -15.100 1.00 0.00 H new ATOM 0 HB2 LYS A 5 31.945 -15.891 -13.930 1.00 0.00 H new ATOM 0 HB3 LYS A 5 30.890 -15.906 -15.329 1.00 0.00 H new ATOM 0 HG2 LYS A 5 30.374 -18.385 -14.076 1.00 0.00 H new ATOM 0 HG3 LYS A 5 30.557 -17.272 -12.735 1.00 0.00 H new ATOM 0 HD2 LYS A 5 28.582 -16.216 -13.213 1.00 0.00 H new ATOM 0 HD3 LYS A 5 28.993 -16.052 -14.908 1.00 0.00 H new ATOM 0 HE2 LYS A 5 27.772 -17.903 -15.495 1.00 0.00 H new ATOM 0 HE3 LYS A 5 28.447 -18.863 -14.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 26.070 -18.514 -13.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 26.936 -17.759 -12.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 26.282 -16.829 -13.894 1.00 0.00 H new ATOM 91 N PRO A 6 32.675 -18.264 -17.561 1.00 0.00 N ATOM 92 CA PRO A 6 32.707 -18.187 -19.033 1.00 0.00 C ATOM 93 C PRO A 6 31.298 -18.346 -19.609 1.00 0.00 C ATOM 94 O PRO A 6 30.607 -19.305 -19.330 1.00 0.00 O ATOM 95 CB PRO A 6 33.597 -19.367 -19.433 1.00 0.00 C ATOM 96 CG PRO A 6 33.555 -20.366 -18.253 1.00 0.00 C ATOM 97 CD PRO A 6 33.107 -19.567 -17.014 1.00 0.00 C ATOM 0 HA PRO A 6 33.079 -17.232 -19.405 1.00 0.00 H new ATOM 0 HB2 PRO A 6 33.235 -19.833 -20.349 1.00 0.00 H new ATOM 0 HB3 PRO A 6 34.618 -19.036 -19.625 1.00 0.00 H new ATOM 0 HG2 PRO A 6 32.861 -21.181 -18.460 1.00 0.00 H new ATOM 0 HG3 PRO A 6 34.535 -20.815 -18.091 1.00 0.00 H new ATOM 0 HD2 PRO A 6 32.294 -20.068 -16.489 1.00 0.00 H new ATOM 0 HD3 PRO A 6 33.922 -19.449 -16.300 1.00 0.00 H new ATOM 105 N SER A 7 30.867 -17.412 -20.414 1.00 0.00 N ATOM 106 CA SER A 7 29.505 -17.512 -21.008 1.00 0.00 C ATOM 107 C SER A 7 29.414 -18.780 -21.859 1.00 0.00 C ATOM 108 O SER A 7 30.305 -19.091 -22.624 1.00 0.00 O ATOM 109 CB SER A 7 29.241 -16.287 -21.887 1.00 0.00 C ATOM 110 OG SER A 7 28.437 -15.359 -21.170 1.00 0.00 O ATOM 0 H SER A 7 31.400 -16.585 -20.685 1.00 0.00 H new ATOM 0 HA SER A 7 28.762 -17.554 -20.212 1.00 0.00 H new ATOM 0 HB2 SER A 7 30.184 -15.822 -22.176 1.00 0.00 H new ATOM 0 HB3 SER A 7 28.739 -16.586 -22.807 1.00 0.00 H new ATOM 0 HG SER A 7 28.267 -14.572 -21.729 1.00 0.00 H new ATOM 116 N SER A 8 28.345 -19.518 -21.729 1.00 0.00 N ATOM 117 CA SER A 8 28.200 -20.767 -22.528 1.00 0.00 C ATOM 118 C SER A 8 26.782 -20.844 -23.097 1.00 0.00 C ATOM 119 O SER A 8 25.859 -21.278 -22.436 1.00 0.00 O ATOM 120 CB SER A 8 28.455 -21.977 -21.628 1.00 0.00 C ATOM 121 OG SER A 8 28.386 -23.164 -22.406 1.00 0.00 O ATOM 0 H SER A 8 27.566 -19.310 -21.104 1.00 0.00 H new ATOM 0 HA SER A 8 28.920 -20.764 -23.346 1.00 0.00 H new ATOM 0 HB2 SER A 8 29.434 -21.894 -21.156 1.00 0.00 H new ATOM 0 HB3 SER A 8 27.717 -22.010 -20.826 1.00 0.00 H new ATOM 0 HG SER A 8 28.551 -23.941 -21.832 1.00 0.00 H new ATOM 127 N ARG A 9 26.599 -20.424 -24.319 1.00 0.00 N ATOM 128 CA ARG A 9 25.240 -20.471 -24.927 1.00 0.00 C ATOM 129 C ARG A 9 24.883 -21.920 -25.275 1.00 0.00 C ATOM 130 O ARG A 9 25.745 -22.702 -25.625 1.00 0.00 O ATOM 131 CB ARG A 9 25.220 -19.621 -26.199 1.00 0.00 C ATOM 132 CG ARG A 9 25.117 -18.141 -25.822 1.00 0.00 C ATOM 133 CD ARG A 9 23.650 -17.711 -25.836 1.00 0.00 C ATOM 134 NE ARG A 9 23.498 -16.438 -25.077 1.00 0.00 N ATOM 135 CZ ARG A 9 22.898 -15.418 -25.629 1.00 0.00 C ATOM 136 NH1 ARG A 9 23.543 -14.657 -26.469 1.00 0.00 N ATOM 137 NH2 ARG A 9 21.652 -15.160 -25.339 1.00 0.00 N ATOM 0 H ARG A 9 27.332 -20.051 -24.922 1.00 0.00 H new ATOM 0 HA ARG A 9 24.512 -20.079 -24.217 1.00 0.00 H new ATOM 0 HB2 ARG A 9 26.125 -19.797 -26.781 1.00 0.00 H new ATOM 0 HB3 ARG A 9 24.376 -19.907 -26.827 1.00 0.00 H new ATOM 0 HG2 ARG A 9 25.546 -17.976 -24.833 1.00 0.00 H new ATOM 0 HG3 ARG A 9 25.691 -17.535 -26.523 1.00 0.00 H new ATOM 0 HD2 ARG A 9 23.309 -17.578 -26.863 1.00 0.00 H new ATOM 0 HD3 ARG A 9 23.028 -18.488 -25.392 1.00 0.00 H new ATOM 0 HE ARG A 9 23.862 -16.363 -24.127 1.00 0.00 H new ATOM 0 HH11 ARG A 9 24.517 -14.858 -26.695 1.00 0.00 H new ATOM 0 HH12 ARG A 9 23.073 -13.860 -26.900 1.00 0.00 H new ATOM 0 HH21 ARG A 9 21.148 -15.755 -24.682 1.00 0.00 H new ATOM 0 HH22 ARG A 9 21.183 -14.363 -25.770 1.00 0.00 H new ATOM 151 N PRO A 10 23.616 -22.233 -25.169 1.00 0.00 N ATOM 152 CA PRO A 10 23.102 -23.580 -25.468 1.00 0.00 C ATOM 153 C PRO A 10 22.988 -23.786 -26.981 1.00 0.00 C ATOM 154 O PRO A 10 21.947 -23.573 -27.570 1.00 0.00 O ATOM 155 CB PRO A 10 21.719 -23.592 -24.809 1.00 0.00 C ATOM 156 CG PRO A 10 21.290 -22.111 -24.672 1.00 0.00 C ATOM 157 CD PRO A 10 22.579 -21.271 -24.743 1.00 0.00 C ATOM 0 HA PRO A 10 23.750 -24.377 -25.102 1.00 0.00 H new ATOM 0 HB2 PRO A 10 21.004 -24.149 -25.415 1.00 0.00 H new ATOM 0 HB3 PRO A 10 21.757 -24.078 -23.834 1.00 0.00 H new ATOM 0 HG2 PRO A 10 20.601 -21.832 -25.469 1.00 0.00 H new ATOM 0 HG3 PRO A 10 20.770 -21.944 -23.729 1.00 0.00 H new ATOM 0 HD2 PRO A 10 22.481 -20.451 -25.454 1.00 0.00 H new ATOM 0 HD3 PRO A 10 22.820 -20.828 -23.776 1.00 0.00 H new ATOM 165 N ARG A 11 24.053 -24.197 -27.614 1.00 0.00 N ATOM 166 CA ARG A 11 24.010 -24.415 -29.087 1.00 0.00 C ATOM 167 C ARG A 11 25.296 -25.118 -29.534 1.00 0.00 C ATOM 168 O ARG A 11 26.125 -24.526 -30.196 1.00 0.00 O ATOM 169 CB ARG A 11 23.891 -23.065 -29.799 1.00 0.00 C ATOM 170 CG ARG A 11 22.808 -23.147 -30.877 1.00 0.00 C ATOM 171 CD ARG A 11 23.393 -23.779 -32.141 1.00 0.00 C ATOM 172 NE ARG A 11 22.287 -24.150 -33.070 1.00 0.00 N ATOM 173 CZ ARG A 11 21.191 -24.681 -32.601 1.00 0.00 C ATOM 174 NH1 ARG A 11 21.255 -25.608 -31.684 1.00 0.00 N ATOM 175 NH2 ARG A 11 20.031 -24.283 -33.048 1.00 0.00 N ATOM 0 H ARG A 11 24.952 -24.391 -27.173 1.00 0.00 H new ATOM 0 HA ARG A 11 23.150 -25.035 -29.340 1.00 0.00 H new ATOM 0 HB2 ARG A 11 23.644 -22.284 -29.080 1.00 0.00 H new ATOM 0 HB3 ARG A 11 24.846 -22.794 -30.249 1.00 0.00 H new ATOM 0 HG2 ARG A 11 21.966 -23.739 -30.518 1.00 0.00 H new ATOM 0 HG3 ARG A 11 22.425 -22.151 -31.099 1.00 0.00 H new ATOM 0 HD2 ARG A 11 24.073 -23.080 -32.629 1.00 0.00 H new ATOM 0 HD3 ARG A 11 23.976 -24.663 -31.882 1.00 0.00 H new ATOM 0 HE ARG A 11 22.387 -23.989 -34.072 1.00 0.00 H new ATOM 0 HH11 ARG A 11 22.162 -25.917 -31.334 1.00 0.00 H new ATOM 0 HH12 ARG A 11 20.398 -26.023 -31.318 1.00 0.00 H new ATOM 0 HH21 ARG A 11 19.982 -23.558 -33.763 1.00 0.00 H new ATOM 0 HH22 ARG A 11 19.174 -24.697 -32.682 1.00 0.00 H new ATOM 189 N PRO A 12 25.423 -26.363 -29.152 1.00 0.00 N ATOM 190 CA PRO A 12 26.599 -27.183 -29.492 1.00 0.00 C ATOM 191 C PRO A 12 26.509 -27.679 -30.939 1.00 0.00 C ATOM 192 O PRO A 12 27.461 -27.605 -31.690 1.00 0.00 O ATOM 193 CB PRO A 12 26.518 -28.352 -28.506 1.00 0.00 C ATOM 194 CG PRO A 12 25.039 -28.443 -28.059 1.00 0.00 C ATOM 195 CD PRO A 12 24.405 -27.070 -28.347 1.00 0.00 C ATOM 0 HA PRO A 12 27.539 -26.635 -29.420 1.00 0.00 H new ATOM 0 HB2 PRO A 12 26.839 -29.281 -28.977 1.00 0.00 H new ATOM 0 HB3 PRO A 12 27.173 -28.185 -27.651 1.00 0.00 H new ATOM 0 HG2 PRO A 12 24.518 -29.231 -28.602 1.00 0.00 H new ATOM 0 HG3 PRO A 12 24.969 -28.687 -26.999 1.00 0.00 H new ATOM 0 HD2 PRO A 12 23.466 -27.171 -28.892 1.00 0.00 H new ATOM 0 HD3 PRO A 12 24.182 -26.533 -27.425 1.00 0.00 H new ATOM 203 N ARG A 13 25.373 -28.183 -31.337 1.00 0.00 N ATOM 204 CA ARG A 13 25.229 -28.680 -32.734 1.00 0.00 C ATOM 205 C ARG A 13 23.780 -29.100 -32.986 1.00 0.00 C ATOM 206 O ARG A 13 23.509 -29.989 -33.770 1.00 0.00 O ATOM 207 CB ARG A 13 26.151 -29.882 -32.946 1.00 0.00 C ATOM 208 CG ARG A 13 26.063 -30.342 -34.402 1.00 0.00 C ATOM 209 CD ARG A 13 27.462 -30.684 -34.918 1.00 0.00 C ATOM 210 NE ARG A 13 27.404 -30.940 -36.386 1.00 0.00 N ATOM 211 CZ ARG A 13 26.387 -31.577 -36.898 1.00 0.00 C ATOM 212 NH1 ARG A 13 26.367 -32.882 -36.897 1.00 0.00 N ATOM 213 NH2 ARG A 13 25.391 -30.910 -37.414 1.00 0.00 N ATOM 0 H ARG A 13 24.540 -28.272 -30.756 1.00 0.00 H new ATOM 0 HA ARG A 13 25.500 -27.885 -33.428 1.00 0.00 H new ATOM 0 HB2 ARG A 13 27.178 -29.614 -32.700 1.00 0.00 H new ATOM 0 HB3 ARG A 13 25.865 -30.695 -32.279 1.00 0.00 H new ATOM 0 HG2 ARG A 13 25.413 -31.213 -34.480 1.00 0.00 H new ATOM 0 HG3 ARG A 13 25.620 -29.558 -35.016 1.00 0.00 H new ATOM 0 HD2 ARG A 13 28.149 -29.864 -34.708 1.00 0.00 H new ATOM 0 HD3 ARG A 13 27.847 -31.562 -34.400 1.00 0.00 H new ATOM 0 HE ARG A 13 28.160 -30.617 -36.990 1.00 0.00 H new ATOM 0 HH11 ARG A 13 27.146 -33.404 -36.496 1.00 0.00 H new ATOM 0 HH12 ARG A 13 25.572 -33.380 -37.297 1.00 0.00 H new ATOM 0 HH21 ARG A 13 25.407 -29.890 -37.417 1.00 0.00 H new ATOM 0 HH22 ARG A 13 24.596 -31.409 -37.814 1.00 0.00 H new ATOM 227 N LYS A 14 22.846 -28.467 -32.332 1.00 0.00 N ATOM 228 CA LYS A 14 21.416 -28.831 -32.541 1.00 0.00 C ATOM 229 C LYS A 14 21.263 -30.354 -32.507 1.00 0.00 C ATOM 230 O LYS A 14 21.277 -31.010 -33.530 1.00 0.00 O ATOM 231 CB LYS A 14 20.950 -28.301 -33.901 1.00 0.00 C ATOM 232 CG LYS A 14 19.609 -28.940 -34.269 1.00 0.00 C ATOM 233 CD LYS A 14 18.576 -27.844 -34.537 1.00 0.00 C ATOM 234 CE LYS A 14 17.498 -27.883 -33.452 1.00 0.00 C ATOM 235 NZ LYS A 14 16.195 -27.454 -34.033 1.00 0.00 N ATOM 0 H LYS A 14 23.010 -27.715 -31.663 1.00 0.00 H new ATOM 0 HA LYS A 14 20.810 -28.390 -31.750 1.00 0.00 H new ATOM 0 HB2 LYS A 14 20.850 -27.216 -33.865 1.00 0.00 H new ATOM 0 HB3 LYS A 14 21.694 -28.527 -34.665 1.00 0.00 H new ATOM 0 HG2 LYS A 14 19.724 -29.569 -35.152 1.00 0.00 H new ATOM 0 HG3 LYS A 14 19.268 -29.586 -33.460 1.00 0.00 H new ATOM 0 HD2 LYS A 14 19.061 -26.868 -34.548 1.00 0.00 H new ATOM 0 HD3 LYS A 14 18.124 -27.987 -35.519 1.00 0.00 H new ATOM 0 HE2 LYS A 14 17.413 -28.890 -33.045 1.00 0.00 H new ATOM 0 HE3 LYS A 14 17.774 -27.227 -32.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.461 -27.480 -33.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.281 -26.485 -34.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.932 -28.097 -34.807 1.00 0.00 H new ATOM 249 N ASN A 15 21.112 -30.921 -31.342 1.00 0.00 N ATOM 250 CA ASN A 15 20.953 -32.400 -31.250 1.00 0.00 C ATOM 251 C ASN A 15 19.693 -32.726 -30.445 1.00 0.00 C ATOM 252 O ASN A 15 19.477 -33.851 -30.040 1.00 0.00 O ATOM 253 CB ASN A 15 22.176 -33.006 -30.557 1.00 0.00 C ATOM 254 CG ASN A 15 22.262 -32.483 -29.124 1.00 0.00 C ATOM 255 OD1 ASN A 15 21.270 -32.428 -28.423 1.00 0.00 O ATOM 256 ND2 ASN A 15 23.415 -32.095 -28.653 1.00 0.00 N ATOM 0 H ASN A 15 21.092 -30.425 -30.451 1.00 0.00 H new ATOM 0 HA ASN A 15 20.863 -32.819 -32.252 1.00 0.00 H new ATOM 0 HB2 ASN A 15 22.104 -34.094 -30.555 1.00 0.00 H new ATOM 0 HB3 ASN A 15 23.082 -32.748 -31.105 1.00 0.00 H new ATOM 0 HD21 ASN A 15 23.484 -31.746 -27.697 1.00 0.00 H new ATOM 0 HD22 ASN A 15 24.247 -32.141 -29.241 1.00 0.00 H new ATOM 263 N LYS A 16 18.860 -31.748 -30.209 1.00 0.00 N ATOM 264 CA LYS A 16 17.614 -31.998 -29.432 1.00 0.00 C ATOM 265 C LYS A 16 17.972 -32.463 -28.017 1.00 0.00 C ATOM 266 O LYS A 16 18.212 -31.662 -27.135 1.00 0.00 O ATOM 267 CB LYS A 16 16.782 -33.075 -30.134 1.00 0.00 C ATOM 268 CG LYS A 16 16.258 -32.528 -31.463 1.00 0.00 C ATOM 269 CD LYS A 16 14.973 -33.263 -31.846 1.00 0.00 C ATOM 270 CE LYS A 16 15.326 -34.619 -32.459 1.00 0.00 C ATOM 271 NZ LYS A 16 16.255 -34.418 -33.608 1.00 0.00 N ATOM 0 H LYS A 16 18.990 -30.786 -30.522 1.00 0.00 H new ATOM 0 HA LYS A 16 17.035 -31.076 -29.370 1.00 0.00 H new ATOM 0 HB2 LYS A 16 17.389 -33.963 -30.308 1.00 0.00 H new ATOM 0 HB3 LYS A 16 15.949 -33.378 -29.499 1.00 0.00 H new ATOM 0 HG2 LYS A 16 16.066 -31.458 -31.378 1.00 0.00 H new ATOM 0 HG3 LYS A 16 17.009 -32.656 -32.243 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.345 -33.402 -30.966 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.399 -32.669 -32.557 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.791 -35.259 -31.709 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.421 -35.126 -32.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.008 -35.077 -34.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.174 -33.440 -33.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 17.232 -34.597 -33.300 1.00 0.00 H new ATOM 285 N ASN A 17 18.008 -33.749 -27.790 1.00 0.00 N ATOM 286 CA ASN A 17 18.347 -34.252 -26.429 1.00 0.00 C ATOM 287 C ASN A 17 17.162 -34.013 -25.490 1.00 0.00 C ATOM 288 O ASN A 17 16.089 -33.639 -25.917 1.00 0.00 O ATOM 289 CB ASN A 17 19.575 -33.506 -25.902 1.00 0.00 C ATOM 290 CG ASN A 17 20.623 -34.514 -25.426 1.00 0.00 C ATOM 291 OD1 ASN A 17 21.127 -35.299 -26.205 1.00 0.00 O ATOM 292 ND2 ASN A 17 20.975 -34.523 -24.170 1.00 0.00 N ATOM 0 H ASN A 17 17.818 -34.470 -28.486 1.00 0.00 H new ATOM 0 HA ASN A 17 18.564 -35.319 -26.477 1.00 0.00 H new ATOM 0 HB2 ASN A 17 19.993 -32.874 -26.686 1.00 0.00 H new ATOM 0 HB3 ASN A 17 19.289 -32.848 -25.081 1.00 0.00 H new ATOM 0 HD21 ASN A 17 21.674 -35.189 -23.841 1.00 0.00 H new ATOM 0 HD22 ASN A 17 20.551 -33.864 -23.517 1.00 0.00 H new ATOM 299 N ILE A 18 17.347 -34.226 -24.217 1.00 0.00 N ATOM 300 CA ILE A 18 16.228 -34.009 -23.258 1.00 0.00 C ATOM 301 C ILE A 18 16.750 -33.284 -22.016 1.00 0.00 C ATOM 302 O ILE A 18 17.939 -33.096 -21.849 1.00 0.00 O ATOM 303 CB ILE A 18 15.638 -35.360 -22.848 1.00 0.00 C ATOM 304 CG1 ILE A 18 16.770 -36.309 -22.450 1.00 0.00 C ATOM 305 CG2 ILE A 18 14.863 -35.958 -24.024 1.00 0.00 C ATOM 306 CD1 ILE A 18 16.179 -37.637 -21.973 1.00 0.00 C ATOM 0 H ILE A 18 18.223 -34.540 -23.800 1.00 0.00 H new ATOM 0 HA ILE A 18 15.457 -33.404 -23.734 1.00 0.00 H new ATOM 0 HB ILE A 18 14.964 -35.220 -22.003 1.00 0.00 H new ATOM 0 HG12 ILE A 18 17.433 -36.478 -23.299 1.00 0.00 H new ATOM 0 HG13 ILE A 18 17.372 -35.862 -21.659 1.00 0.00 H new ATOM 0 HG21 ILE A 18 14.443 -36.920 -23.731 1.00 0.00 H new ATOM 0 HG22 ILE A 18 14.057 -35.282 -24.310 1.00 0.00 H new ATOM 0 HG23 ILE A 18 15.536 -36.098 -24.870 1.00 0.00 H new ATOM 0 HD11 ILE A 18 16.985 -38.313 -21.689 1.00 0.00 H new ATOM 0 HD12 ILE A 18 15.534 -37.460 -21.112 1.00 0.00 H new ATOM 0 HD13 ILE A 18 15.596 -38.085 -22.777 1.00 0.00 H new ATOM 318 N LYS A 19 15.870 -32.877 -21.142 1.00 0.00 N ATOM 319 CA LYS A 19 16.315 -32.165 -19.911 1.00 0.00 C ATOM 320 C LYS A 19 17.095 -30.906 -20.297 1.00 0.00 C ATOM 321 O LYS A 19 18.205 -30.692 -19.851 1.00 0.00 O ATOM 322 CB LYS A 19 17.214 -33.092 -19.087 1.00 0.00 C ATOM 323 CG LYS A 19 17.332 -32.553 -17.660 1.00 0.00 C ATOM 324 CD LYS A 19 16.762 -33.579 -16.677 1.00 0.00 C ATOM 325 CE LYS A 19 16.583 -32.930 -15.304 1.00 0.00 C ATOM 326 NZ LYS A 19 16.072 -33.942 -14.338 1.00 0.00 N ATOM 0 H LYS A 19 14.862 -33.007 -21.228 1.00 0.00 H new ATOM 0 HA LYS A 19 15.444 -31.881 -19.321 1.00 0.00 H new ATOM 0 HB2 LYS A 19 16.799 -34.100 -19.073 1.00 0.00 H new ATOM 0 HB3 LYS A 19 18.201 -33.160 -19.544 1.00 0.00 H new ATOM 0 HG2 LYS A 19 18.376 -32.347 -17.423 1.00 0.00 H new ATOM 0 HG3 LYS A 19 16.793 -31.610 -17.571 1.00 0.00 H new ATOM 0 HD2 LYS A 19 15.805 -33.954 -17.041 1.00 0.00 H new ATOM 0 HD3 LYS A 19 17.432 -34.436 -16.601 1.00 0.00 H new ATOM 0 HE2 LYS A 19 17.533 -32.526 -14.955 1.00 0.00 H new ATOM 0 HE3 LYS A 19 15.887 -32.094 -15.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 15.950 -33.500 -13.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.157 -34.308 -14.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 16.752 -34.726 -14.264 1.00 0.00 H new ATOM 340 N VAL A 20 16.524 -30.071 -21.122 1.00 0.00 N ATOM 341 CA VAL A 20 17.234 -28.826 -21.532 1.00 0.00 C ATOM 342 C VAL A 20 16.747 -27.656 -20.675 1.00 0.00 C ATOM 343 O VAL A 20 16.186 -26.700 -21.174 1.00 0.00 O ATOM 344 CB VAL A 20 16.945 -28.532 -23.004 1.00 0.00 C ATOM 345 CG1 VAL A 20 15.453 -28.248 -23.186 1.00 0.00 C ATOM 346 CG2 VAL A 20 17.751 -27.307 -23.445 1.00 0.00 C ATOM 0 H VAL A 20 15.597 -30.197 -21.529 1.00 0.00 H new ATOM 0 HA VAL A 20 18.307 -28.959 -21.393 1.00 0.00 H new ATOM 0 HB VAL A 20 17.228 -29.394 -23.608 1.00 0.00 H new ATOM 0 HG11 VAL A 20 15.248 -28.038 -24.236 1.00 0.00 H new ATOM 0 HG12 VAL A 20 14.876 -29.117 -22.870 1.00 0.00 H new ATOM 0 HG13 VAL A 20 15.170 -27.386 -22.582 1.00 0.00 H new ATOM 0 HG21 VAL A 20 17.546 -27.095 -24.495 1.00 0.00 H new ATOM 0 HG22 VAL A 20 17.466 -26.447 -22.839 1.00 0.00 H new ATOM 0 HG23 VAL A 20 18.815 -27.506 -23.316 1.00 0.00 H new ATOM 356 N ASN A 21 16.957 -27.721 -19.389 1.00 0.00 N ATOM 357 CA ASN A 21 16.502 -26.609 -18.506 1.00 0.00 C ATOM 358 C ASN A 21 17.570 -26.324 -17.447 1.00 0.00 C ATOM 359 O ASN A 21 17.595 -26.935 -16.397 1.00 0.00 O ATOM 360 CB ASN A 21 15.195 -27.007 -17.818 1.00 0.00 C ATOM 361 CG ASN A 21 14.053 -26.141 -18.352 1.00 0.00 C ATOM 362 OD1 ASN A 21 14.197 -25.481 -19.362 1.00 0.00 O ATOM 363 ND2 ASN A 21 12.915 -26.115 -17.712 1.00 0.00 N ATOM 0 H ASN A 21 17.422 -28.493 -18.912 1.00 0.00 H new ATOM 0 HA ASN A 21 16.340 -25.714 -19.106 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.982 -28.060 -18.000 1.00 0.00 H new ATOM 0 HB3 ASN A 21 15.287 -26.882 -16.739 1.00 0.00 H new ATOM 0 HD21 ASN A 21 12.147 -25.541 -18.060 1.00 0.00 H new ATOM 0 HD22 ASN A 21 12.794 -26.669 -16.864 1.00 0.00 H new ATOM 370 N THR A 22 18.450 -25.399 -17.713 1.00 0.00 N ATOM 371 CA THR A 22 19.513 -25.072 -16.720 1.00 0.00 C ATOM 372 C THR A 22 19.605 -23.554 -16.560 1.00 0.00 C ATOM 373 O THR A 22 20.643 -23.015 -16.230 1.00 0.00 O ATOM 374 CB THR A 22 20.857 -25.617 -17.208 1.00 0.00 C ATOM 375 OG1 THR A 22 20.694 -26.191 -18.497 1.00 0.00 O ATOM 376 CG2 THR A 22 21.363 -26.681 -16.232 1.00 0.00 C ATOM 0 H THR A 22 18.480 -24.855 -18.575 1.00 0.00 H new ATOM 0 HA THR A 22 19.267 -25.527 -15.760 1.00 0.00 H new ATOM 0 HB THR A 22 21.581 -24.804 -17.262 1.00 0.00 H new ATOM 0 HG1 THR A 22 21.555 -26.539 -18.811 1.00 0.00 H new ATOM 0 HG21 THR A 22 22.320 -27.069 -16.580 1.00 0.00 H new ATOM 0 HG22 THR A 22 21.489 -26.238 -15.244 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.641 -27.495 -16.175 1.00 0.00 H new ATOM 384 N TYR A 23 18.526 -22.860 -16.792 1.00 0.00 N ATOM 385 CA TYR A 23 18.547 -21.377 -16.656 1.00 0.00 C ATOM 386 C TYR A 23 19.069 -20.998 -15.268 1.00 0.00 C ATOM 387 O TYR A 23 19.398 -21.846 -14.464 1.00 0.00 O ATOM 388 CB TYR A 23 17.130 -20.831 -16.834 1.00 0.00 C ATOM 389 CG TYR A 23 16.733 -20.927 -18.289 1.00 0.00 C ATOM 390 CD1 TYR A 23 17.273 -20.033 -19.222 1.00 0.00 C ATOM 391 CD2 TYR A 23 15.824 -21.910 -18.703 1.00 0.00 C ATOM 392 CE1 TYR A 23 16.906 -20.121 -20.571 1.00 0.00 C ATOM 393 CE2 TYR A 23 15.457 -21.998 -20.053 1.00 0.00 C ATOM 394 CZ TYR A 23 15.997 -21.103 -20.986 1.00 0.00 C ATOM 395 OH TYR A 23 15.636 -21.190 -22.316 1.00 0.00 O ATOM 0 H TYR A 23 17.629 -23.257 -17.071 1.00 0.00 H new ATOM 0 HA TYR A 23 19.200 -20.951 -17.417 1.00 0.00 H new ATOM 0 HB2 TYR A 23 16.431 -21.396 -16.217 1.00 0.00 H new ATOM 0 HB3 TYR A 23 17.084 -19.794 -16.501 1.00 0.00 H new ATOM 0 HD1 TYR A 23 17.973 -19.275 -18.901 1.00 0.00 H new ATOM 0 HD2 TYR A 23 15.407 -22.599 -17.983 1.00 0.00 H new ATOM 0 HE1 TYR A 23 17.323 -19.432 -21.291 1.00 0.00 H new ATOM 0 HE2 TYR A 23 14.758 -22.756 -20.374 1.00 0.00 H new ATOM 0 HH TYR A 23 14.999 -21.925 -22.435 1.00 0.00 H new ATOM 405 N ARG A 24 19.148 -19.726 -14.982 1.00 0.00 N ATOM 406 CA ARG A 24 19.648 -19.291 -13.648 1.00 0.00 C ATOM 407 C ARG A 24 18.500 -19.332 -12.636 1.00 0.00 C ATOM 408 O ARG A 24 17.842 -18.341 -12.388 1.00 0.00 O ATOM 409 CB ARG A 24 20.194 -17.865 -13.747 1.00 0.00 C ATOM 410 CG ARG A 24 21.714 -17.889 -13.579 1.00 0.00 C ATOM 411 CD ARG A 24 22.383 -17.577 -14.921 1.00 0.00 C ATOM 412 NE ARG A 24 22.292 -18.769 -15.811 1.00 0.00 N ATOM 413 CZ ARG A 24 22.989 -18.814 -16.913 1.00 0.00 C ATOM 414 NH1 ARG A 24 22.905 -17.841 -17.779 1.00 0.00 N ATOM 415 NH2 ARG A 24 23.771 -19.831 -17.150 1.00 0.00 N ATOM 0 H ARG A 24 18.888 -18.970 -15.615 1.00 0.00 H new ATOM 0 HA ARG A 24 20.444 -19.960 -13.321 1.00 0.00 H new ATOM 0 HB2 ARG A 24 19.931 -17.429 -14.711 1.00 0.00 H new ATOM 0 HB3 ARG A 24 19.742 -17.237 -12.979 1.00 0.00 H new ATOM 0 HG2 ARG A 24 22.019 -17.158 -12.830 1.00 0.00 H new ATOM 0 HG3 ARG A 24 22.035 -18.867 -13.219 1.00 0.00 H new ATOM 0 HD2 ARG A 24 21.898 -16.721 -15.391 1.00 0.00 H new ATOM 0 HD3 ARG A 24 23.427 -17.306 -14.765 1.00 0.00 H new ATOM 0 HE ARG A 24 21.685 -19.549 -15.559 1.00 0.00 H new ATOM 0 HH11 ARG A 24 22.294 -17.045 -17.594 1.00 0.00 H new ATOM 0 HH12 ARG A 24 23.450 -17.876 -18.640 1.00 0.00 H new ATOM 0 HH21 ARG A 24 23.838 -20.592 -16.474 1.00 0.00 H new ATOM 0 HH22 ARG A 24 24.316 -19.866 -18.012 1.00 0.00 H new ATOM 429 N THR A 25 18.256 -20.473 -12.051 1.00 0.00 N ATOM 430 CA THR A 25 17.152 -20.583 -11.056 1.00 0.00 C ATOM 431 C THR A 25 15.822 -20.228 -11.724 1.00 0.00 C ATOM 432 O THR A 25 15.781 -19.530 -12.717 1.00 0.00 O ATOM 433 CB THR A 25 17.409 -19.622 -9.894 1.00 0.00 C ATOM 434 OG1 THR A 25 18.807 -19.534 -9.654 1.00 0.00 O ATOM 435 CG2 THR A 25 16.705 -20.136 -8.637 1.00 0.00 C ATOM 0 H THR A 25 18.775 -21.335 -12.220 1.00 0.00 H new ATOM 0 HA THR A 25 17.109 -21.605 -10.679 1.00 0.00 H new ATOM 0 HB THR A 25 17.020 -18.635 -10.147 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.973 -18.917 -8.911 1.00 0.00 H new ATOM 0 HG21 THR A 25 16.889 -19.450 -7.810 1.00 0.00 H new ATOM 0 HG22 THR A 25 15.633 -20.202 -8.822 1.00 0.00 H new ATOM 0 HG23 THR A 25 17.090 -21.123 -8.382 1.00 0.00 H new ATOM 443 N SER A 26 14.733 -20.701 -11.183 1.00 0.00 N ATOM 444 CA SER A 26 13.405 -20.390 -11.783 1.00 0.00 C ATOM 445 C SER A 26 12.299 -20.765 -10.795 1.00 0.00 C ATOM 446 O SER A 26 12.163 -21.908 -10.405 1.00 0.00 O ATOM 447 CB SER A 26 13.229 -21.187 -13.075 1.00 0.00 C ATOM 448 OG SER A 26 13.387 -20.317 -14.188 1.00 0.00 O ATOM 0 H SER A 26 14.706 -21.290 -10.351 1.00 0.00 H new ATOM 0 HA SER A 26 13.347 -19.324 -12.005 1.00 0.00 H new ATOM 0 HB2 SER A 26 13.962 -21.993 -13.122 1.00 0.00 H new ATOM 0 HB3 SER A 26 12.243 -21.651 -13.098 1.00 0.00 H new ATOM 0 HG SER A 26 14.193 -19.774 -14.067 1.00 0.00 H new ATOM 454 N ALA A 27 11.510 -19.810 -10.388 1.00 0.00 N ATOM 455 CA ALA A 27 10.413 -20.107 -9.425 1.00 0.00 C ATOM 456 C ALA A 27 9.417 -18.947 -9.422 1.00 0.00 C ATOM 457 O ALA A 27 9.386 -18.144 -8.510 1.00 0.00 O ATOM 458 CB ALA A 27 11.000 -20.280 -8.022 1.00 0.00 C ATOM 0 H ALA A 27 11.578 -18.835 -10.681 1.00 0.00 H new ATOM 0 HA ALA A 27 9.904 -21.025 -9.720 1.00 0.00 H new ATOM 0 HB1 ALA A 27 10.198 -20.497 -7.316 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.714 -21.104 -8.025 1.00 0.00 H new ATOM 0 HB3 ALA A 27 11.507 -19.362 -7.724 1.00 0.00 H new ATOM 464 N MET A 28 8.603 -18.847 -10.439 1.00 0.00 N ATOM 465 CA MET A 28 7.615 -17.735 -10.494 1.00 0.00 C ATOM 466 C MET A 28 6.199 -18.306 -10.592 1.00 0.00 C ATOM 467 O MET A 28 5.569 -18.254 -11.630 1.00 0.00 O ATOM 468 CB MET A 28 7.900 -16.864 -11.720 1.00 0.00 C ATOM 469 CG MET A 28 9.301 -16.259 -11.602 1.00 0.00 C ATOM 470 SD MET A 28 9.182 -14.453 -11.613 1.00 0.00 S ATOM 471 CE MET A 28 10.166 -14.170 -13.104 1.00 0.00 C ATOM 0 H MET A 28 8.581 -19.488 -11.232 1.00 0.00 H new ATOM 0 HA MET A 28 7.698 -17.133 -9.589 1.00 0.00 H new ATOM 0 HB2 MET A 28 7.826 -17.461 -12.629 1.00 0.00 H new ATOM 0 HB3 MET A 28 7.155 -16.072 -11.797 1.00 0.00 H new ATOM 0 HG2 MET A 28 9.778 -16.597 -10.682 1.00 0.00 H new ATOM 0 HG3 MET A 28 9.926 -16.598 -12.428 1.00 0.00 H new ATOM 0 HE1 MET A 28 10.225 -13.100 -13.303 1.00 0.00 H new ATOM 0 HE2 MET A 28 11.170 -14.568 -12.958 1.00 0.00 H new ATOM 0 HE3 MET A 28 9.696 -14.671 -13.950 1.00 0.00 H new ATOM 481 N ASP A 29 5.691 -18.847 -9.519 1.00 0.00 N ATOM 482 CA ASP A 29 4.314 -19.416 -9.555 1.00 0.00 C ATOM 483 C ASP A 29 3.377 -18.425 -10.246 1.00 0.00 C ATOM 484 O ASP A 29 2.386 -18.801 -10.841 1.00 0.00 O ATOM 485 CB ASP A 29 3.828 -19.665 -8.125 1.00 0.00 C ATOM 486 CG ASP A 29 4.950 -20.309 -7.308 1.00 0.00 C ATOM 487 OD1 ASP A 29 5.082 -21.521 -7.374 1.00 0.00 O ATOM 488 OD2 ASP A 29 5.657 -19.582 -6.631 1.00 0.00 O ATOM 0 H ASP A 29 6.169 -18.920 -8.621 1.00 0.00 H new ATOM 0 HA ASP A 29 4.321 -20.357 -10.105 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.522 -18.725 -7.665 1.00 0.00 H new ATOM 0 HB3 ASP A 29 2.953 -20.314 -8.135 1.00 0.00 H new ATOM 493 N LEU A 30 3.684 -17.159 -10.174 1.00 0.00 N ATOM 494 CA LEU A 30 2.813 -16.141 -10.827 1.00 0.00 C ATOM 495 C LEU A 30 3.640 -15.335 -11.831 1.00 0.00 C ATOM 496 O LEU A 30 4.234 -14.329 -11.497 1.00 0.00 O ATOM 497 CB LEU A 30 2.240 -15.202 -9.764 1.00 0.00 C ATOM 498 CG LEU A 30 0.720 -15.134 -9.912 1.00 0.00 C ATOM 499 CD1 LEU A 30 0.365 -14.709 -11.339 1.00 0.00 C ATOM 500 CD2 LEU A 30 0.119 -16.512 -9.628 1.00 0.00 C ATOM 0 H LEU A 30 4.501 -16.785 -9.691 1.00 0.00 H new ATOM 0 HA LEU A 30 1.995 -16.640 -11.347 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.504 -15.558 -8.768 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.672 -14.207 -9.871 1.00 0.00 H new ATOM 0 HG LEU A 30 0.318 -14.408 -9.205 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.719 -14.660 -11.445 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.794 -13.728 -11.544 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.767 -15.435 -12.046 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.965 -16.465 -9.733 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.521 -17.237 -10.336 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.372 -16.817 -8.613 1.00 0.00 H new ATOM 512 N SER A 31 3.683 -15.769 -13.061 1.00 0.00 N ATOM 513 CA SER A 31 4.471 -15.031 -14.088 1.00 0.00 C ATOM 514 C SER A 31 4.174 -13.529 -13.981 1.00 0.00 C ATOM 515 O SER A 31 3.110 -13.087 -14.364 1.00 0.00 O ATOM 516 CB SER A 31 4.076 -15.526 -15.479 1.00 0.00 C ATOM 517 OG SER A 31 3.580 -16.855 -15.382 1.00 0.00 O ATOM 0 H SER A 31 3.205 -16.604 -13.399 1.00 0.00 H new ATOM 0 HA SER A 31 5.535 -15.204 -13.924 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.316 -14.873 -15.908 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.937 -15.495 -16.147 1.00 0.00 H new ATOM 0 HG SER A 31 3.324 -17.175 -16.272 1.00 0.00 H new ATOM 523 N PRO A 32 5.125 -12.787 -13.467 1.00 0.00 N ATOM 524 CA PRO A 32 4.986 -11.330 -13.302 1.00 0.00 C ATOM 525 C PRO A 32 5.212 -10.621 -14.641 1.00 0.00 C ATOM 526 O PRO A 32 6.310 -10.588 -15.162 1.00 0.00 O ATOM 527 CB PRO A 32 6.090 -10.974 -12.301 1.00 0.00 C ATOM 528 CG PRO A 32 7.135 -12.111 -12.383 1.00 0.00 C ATOM 529 CD PRO A 32 6.418 -13.327 -13.001 1.00 0.00 C ATOM 0 HA PRO A 32 3.996 -11.028 -12.960 1.00 0.00 H new ATOM 0 HB2 PRO A 32 6.542 -10.013 -12.546 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.687 -10.889 -11.292 1.00 0.00 H new ATOM 0 HG2 PRO A 32 7.986 -11.811 -12.995 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.523 -12.352 -11.393 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.992 -13.752 -13.824 1.00 0.00 H new ATOM 0 HD3 PRO A 32 6.277 -14.121 -12.268 1.00 0.00 H new ATOM 537 N GLY A 33 4.180 -10.055 -15.204 1.00 0.00 N ATOM 538 CA GLY A 33 4.334 -9.352 -16.509 1.00 0.00 C ATOM 539 C GLY A 33 3.409 -9.989 -17.548 1.00 0.00 C ATOM 540 O GLY A 33 3.656 -9.925 -18.735 1.00 0.00 O ATOM 0 H GLY A 33 3.236 -10.049 -14.817 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.095 -8.295 -16.394 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.369 -9.410 -16.845 1.00 0.00 H new ATOM 544 N SER A 34 2.346 -10.605 -17.109 1.00 0.00 N ATOM 545 CA SER A 34 1.405 -11.247 -18.072 1.00 0.00 C ATOM 546 C SER A 34 0.196 -10.336 -18.287 1.00 0.00 C ATOM 547 O SER A 34 0.029 -9.337 -17.615 1.00 0.00 O ATOM 548 CB SER A 34 0.937 -12.590 -17.512 1.00 0.00 C ATOM 549 OG SER A 34 -0.158 -13.065 -18.284 1.00 0.00 O ATOM 0 H SER A 34 2.088 -10.692 -16.126 1.00 0.00 H new ATOM 0 HA SER A 34 1.913 -11.408 -19.023 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.754 -13.311 -17.536 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.640 -12.479 -16.469 1.00 0.00 H new ATOM 0 HG SER A 34 -0.460 -13.927 -17.928 1.00 0.00 H new ATOM 555 N VAL A 35 -0.651 -10.672 -19.220 1.00 0.00 N ATOM 556 CA VAL A 35 -1.849 -9.828 -19.479 1.00 0.00 C ATOM 557 C VAL A 35 -3.115 -10.652 -19.233 1.00 0.00 C ATOM 558 O VAL A 35 -3.079 -11.865 -19.198 1.00 0.00 O ATOM 559 CB VAL A 35 -1.829 -9.344 -20.930 1.00 0.00 C ATOM 560 CG1 VAL A 35 -2.870 -8.239 -21.116 1.00 0.00 C ATOM 561 CG2 VAL A 35 -0.440 -8.795 -21.263 1.00 0.00 C ATOM 0 H VAL A 35 -0.564 -11.496 -19.815 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.839 -8.968 -18.810 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.062 -10.177 -21.593 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.855 -7.895 -22.150 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.860 -8.628 -20.878 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.638 -7.405 -20.453 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.424 -8.450 -22.297 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.209 -7.963 -20.598 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.303 -9.581 -21.131 1.00 0.00 H new ATOM 571 N HIS A 36 -4.232 -10.002 -19.059 1.00 0.00 N ATOM 572 CA HIS A 36 -5.497 -10.748 -18.813 1.00 0.00 C ATOM 573 C HIS A 36 -6.676 -9.773 -18.834 1.00 0.00 C ATOM 574 O HIS A 36 -6.502 -8.571 -18.803 1.00 0.00 O ATOM 575 CB HIS A 36 -5.429 -11.433 -17.446 1.00 0.00 C ATOM 576 CG HIS A 36 -5.584 -12.920 -17.618 1.00 0.00 C ATOM 577 ND1 HIS A 36 -6.588 -13.475 -18.395 1.00 0.00 N ATOM 578 CD2 HIS A 36 -4.870 -13.980 -17.116 1.00 0.00 C ATOM 579 CE1 HIS A 36 -6.451 -14.812 -18.339 1.00 0.00 C ATOM 580 NE2 HIS A 36 -5.419 -15.173 -17.572 1.00 0.00 N ATOM 0 H HIS A 36 -4.323 -8.986 -19.077 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.631 -11.500 -19.591 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.478 -11.210 -16.963 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.215 -11.048 -16.796 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -4.012 -13.899 -16.465 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -7.097 -15.509 -18.852 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -5.102 -16.120 -17.365 1.00 0.00 H new ATOM 588 N GLU A 37 -7.876 -10.283 -18.885 1.00 0.00 N ATOM 589 CA GLU A 37 -9.067 -9.386 -18.906 1.00 0.00 C ATOM 590 C GLU A 37 -9.649 -9.287 -17.495 1.00 0.00 C ATOM 591 O GLU A 37 -9.865 -10.282 -16.832 1.00 0.00 O ATOM 592 CB GLU A 37 -10.120 -9.961 -19.855 1.00 0.00 C ATOM 593 CG GLU A 37 -9.592 -9.916 -21.290 1.00 0.00 C ATOM 594 CD GLU A 37 -10.194 -11.072 -22.091 1.00 0.00 C ATOM 595 OE1 GLU A 37 -11.341 -10.958 -22.489 1.00 0.00 O ATOM 596 OE2 GLU A 37 -9.495 -12.052 -22.294 1.00 0.00 O ATOM 0 H GLU A 37 -8.084 -11.281 -18.913 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.773 -8.394 -19.250 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.356 -10.988 -19.575 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.045 -9.389 -19.778 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.850 -8.964 -21.754 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.504 -9.986 -21.291 1.00 0.00 H new ATOM 603 N GLY A 38 -9.900 -8.095 -17.025 1.00 0.00 N ATOM 604 CA GLY A 38 -10.462 -7.944 -15.653 1.00 0.00 C ATOM 605 C GLY A 38 -11.324 -6.682 -15.578 1.00 0.00 C ATOM 606 O GLY A 38 -11.414 -5.918 -16.523 1.00 0.00 O ATOM 0 H GLY A 38 -9.741 -7.223 -17.530 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.060 -8.819 -15.397 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.654 -7.886 -14.924 1.00 0.00 H new ATOM 610 N ILE A 39 -11.958 -6.458 -14.459 1.00 0.00 N ATOM 611 CA ILE A 39 -12.814 -5.248 -14.311 1.00 0.00 C ATOM 612 C ILE A 39 -12.019 -4.162 -13.585 1.00 0.00 C ATOM 613 O ILE A 39 -11.053 -4.439 -12.904 1.00 0.00 O ATOM 614 CB ILE A 39 -14.063 -5.602 -13.499 1.00 0.00 C ATOM 615 CG1 ILE A 39 -14.670 -6.898 -14.041 1.00 0.00 C ATOM 616 CG2 ILE A 39 -15.087 -4.473 -13.614 1.00 0.00 C ATOM 617 CD1 ILE A 39 -15.186 -7.747 -12.877 1.00 0.00 C ATOM 0 H ILE A 39 -11.919 -7.063 -13.639 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.117 -4.886 -15.294 1.00 0.00 H new ATOM 0 HB ILE A 39 -13.789 -5.736 -12.452 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -15.485 -6.671 -14.728 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.922 -7.454 -14.606 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -15.975 -4.727 -13.035 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.655 -3.549 -13.229 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.362 -4.336 -14.660 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -15.618 -8.670 -13.263 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -14.360 -7.986 -12.207 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -15.948 -7.191 -12.330 1.00 0.00 H new ATOM 629 N VAL A 40 -12.407 -2.926 -13.736 1.00 0.00 N ATOM 630 CA VAL A 40 -11.656 -1.823 -13.066 1.00 0.00 C ATOM 631 C VAL A 40 -12.553 -1.122 -12.045 1.00 0.00 C ATOM 632 O VAL A 40 -13.728 -1.409 -11.928 1.00 0.00 O ATOM 633 CB VAL A 40 -11.194 -0.798 -14.110 1.00 0.00 C ATOM 634 CG1 VAL A 40 -9.764 -0.357 -13.790 1.00 0.00 C ATOM 635 CG2 VAL A 40 -11.226 -1.419 -15.512 1.00 0.00 C ATOM 0 H VAL A 40 -13.209 -2.631 -14.292 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.790 -2.249 -12.559 1.00 0.00 H new ATOM 0 HB VAL A 40 -11.864 0.061 -14.083 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.434 0.371 -14.531 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -9.736 0.095 -12.799 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.103 -1.223 -13.813 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.896 -0.682 -16.244 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.562 -2.283 -15.542 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -12.243 -1.734 -15.747 1.00 0.00 H new ATOM 645 N TYR A 41 -12.007 -0.189 -11.318 1.00 0.00 N ATOM 646 CA TYR A 41 -12.816 0.557 -10.316 1.00 0.00 C ATOM 647 C TYR A 41 -12.148 1.909 -10.048 1.00 0.00 C ATOM 648 O TYR A 41 -10.944 2.035 -10.113 1.00 0.00 O ATOM 649 CB TYR A 41 -12.898 -0.243 -9.014 1.00 0.00 C ATOM 650 CG TYR A 41 -14.313 -0.195 -8.486 1.00 0.00 C ATOM 651 CD1 TYR A 41 -15.385 -0.516 -9.329 1.00 0.00 C ATOM 652 CD2 TYR A 41 -14.554 0.174 -7.155 1.00 0.00 C ATOM 653 CE1 TYR A 41 -16.699 -0.468 -8.843 1.00 0.00 C ATOM 654 CE2 TYR A 41 -15.868 0.221 -6.669 1.00 0.00 C ATOM 655 CZ TYR A 41 -16.939 -0.099 -7.512 1.00 0.00 C ATOM 656 OH TYR A 41 -18.233 -0.051 -7.033 1.00 0.00 O ATOM 0 H TYR A 41 -11.028 0.091 -11.375 1.00 0.00 H new ATOM 0 HA TYR A 41 -13.824 0.711 -10.700 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -12.598 -1.276 -9.189 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.209 0.169 -8.277 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.199 -0.801 -10.354 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -13.728 0.422 -6.505 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.525 -0.715 -9.493 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -16.054 0.504 -5.644 1.00 0.00 H new ATOM 0 HH TYR A 41 -18.223 0.221 -6.092 1.00 0.00 H new ATOM 666 N PHE A 42 -12.913 2.922 -9.757 1.00 0.00 N ATOM 667 CA PHE A 42 -12.299 4.255 -9.498 1.00 0.00 C ATOM 668 C PHE A 42 -12.532 4.654 -8.041 1.00 0.00 C ATOM 669 O PHE A 42 -13.654 4.793 -7.597 1.00 0.00 O ATOM 670 CB PHE A 42 -12.932 5.299 -10.419 1.00 0.00 C ATOM 671 CG PHE A 42 -12.317 6.648 -10.139 1.00 0.00 C ATOM 672 CD1 PHE A 42 -12.833 7.456 -9.118 1.00 0.00 C ATOM 673 CD2 PHE A 42 -11.227 7.091 -10.899 1.00 0.00 C ATOM 674 CE1 PHE A 42 -12.260 8.707 -8.857 1.00 0.00 C ATOM 675 CE2 PHE A 42 -10.653 8.343 -10.638 1.00 0.00 C ATOM 676 CZ PHE A 42 -11.170 9.151 -9.617 1.00 0.00 C ATOM 0 H PHE A 42 -13.930 2.887 -9.687 1.00 0.00 H new ATOM 0 HA PHE A 42 -11.228 4.201 -9.692 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -12.775 5.024 -11.462 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -14.009 5.337 -10.258 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -13.673 7.114 -8.532 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.829 6.468 -11.686 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -12.659 9.330 -8.070 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.812 8.685 -11.224 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.728 10.116 -9.416 1.00 0.00 H new ATOM 686 N LYS A 43 -11.478 4.845 -7.292 1.00 0.00 N ATOM 687 CA LYS A 43 -11.640 5.239 -5.865 1.00 0.00 C ATOM 688 C LYS A 43 -10.271 5.262 -5.181 1.00 0.00 C ATOM 689 O LYS A 43 -9.271 4.887 -5.761 1.00 0.00 O ATOM 690 CB LYS A 43 -12.545 4.229 -5.155 1.00 0.00 C ATOM 691 CG LYS A 43 -13.450 4.964 -4.165 1.00 0.00 C ATOM 692 CD LYS A 43 -13.001 4.657 -2.735 1.00 0.00 C ATOM 693 CE LYS A 43 -14.058 3.794 -2.043 1.00 0.00 C ATOM 694 NZ LYS A 43 -15.121 4.669 -1.475 1.00 0.00 N ATOM 0 H LYS A 43 -10.513 4.745 -7.608 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.089 6.231 -5.813 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.149 3.690 -5.885 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.941 3.488 -4.631 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.409 6.038 -4.347 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.486 4.656 -4.306 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.043 4.138 -2.747 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.854 5.584 -2.182 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.492 3.092 -2.755 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.598 3.202 -1.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.839 4.082 -1.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.700 5.322 -0.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.567 5.215 -2.240 1.00 0.00 H new ATOM 708 N ASP A 44 -10.221 5.701 -3.953 1.00 0.00 N ATOM 709 CA ASP A 44 -8.920 5.751 -3.224 1.00 0.00 C ATOM 710 C ASP A 44 -7.965 6.718 -3.930 1.00 0.00 C ATOM 711 O ASP A 44 -6.791 6.777 -3.623 1.00 0.00 O ATOM 712 CB ASP A 44 -8.300 4.351 -3.183 1.00 0.00 C ATOM 713 CG ASP A 44 -9.068 3.484 -2.183 1.00 0.00 C ATOM 714 OD1 ASP A 44 -9.904 4.026 -1.479 1.00 0.00 O ATOM 715 OD2 ASP A 44 -8.806 2.294 -2.139 1.00 0.00 O ATOM 0 H ASP A 44 -11.027 6.028 -3.421 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.093 6.100 -2.206 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.332 3.898 -4.174 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.251 4.414 -2.895 1.00 0.00 H new ATOM 720 N GLY A 45 -8.459 7.485 -4.865 1.00 0.00 N ATOM 721 CA GLY A 45 -7.576 8.454 -5.577 1.00 0.00 C ATOM 722 C GLY A 45 -6.894 7.773 -6.766 1.00 0.00 C ATOM 723 O GLY A 45 -6.466 8.421 -7.700 1.00 0.00 O ATOM 0 H GLY A 45 -9.434 7.483 -5.166 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.163 9.305 -5.923 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.824 8.843 -4.891 1.00 0.00 H new ATOM 727 N ILE A 46 -6.783 6.473 -6.743 1.00 0.00 N ATOM 728 CA ILE A 46 -6.123 5.765 -7.879 1.00 0.00 C ATOM 729 C ILE A 46 -7.148 4.887 -8.594 1.00 0.00 C ATOM 730 O ILE A 46 -8.334 5.156 -8.565 1.00 0.00 O ATOM 731 CB ILE A 46 -4.985 4.893 -7.346 1.00 0.00 C ATOM 732 CG1 ILE A 46 -5.569 3.727 -6.544 1.00 0.00 C ATOM 733 CG2 ILE A 46 -4.081 5.729 -6.437 1.00 0.00 C ATOM 734 CD1 ILE A 46 -4.436 2.962 -5.856 1.00 0.00 C ATOM 0 H ILE A 46 -7.119 5.872 -5.991 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.720 6.497 -8.579 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.403 4.507 -8.183 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.274 4.100 -5.801 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.124 3.060 -7.204 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.271 5.106 -6.058 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.664 6.561 -7.004 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.663 6.115 -5.601 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.852 2.132 -5.285 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.748 2.576 -6.608 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.900 3.632 -5.184 1.00 0.00 H new ATOM 746 N PHE A 47 -6.711 3.838 -9.237 1.00 0.00 N ATOM 747 CA PHE A 47 -7.676 2.955 -9.946 1.00 0.00 C ATOM 748 C PHE A 47 -7.680 1.577 -9.280 1.00 0.00 C ATOM 749 O PHE A 47 -6.897 1.307 -8.390 1.00 0.00 O ATOM 750 CB PHE A 47 -7.269 2.822 -11.414 1.00 0.00 C ATOM 751 CG PHE A 47 -7.957 3.894 -12.226 1.00 0.00 C ATOM 752 CD1 PHE A 47 -7.828 5.241 -11.862 1.00 0.00 C ATOM 753 CD2 PHE A 47 -8.724 3.542 -13.345 1.00 0.00 C ATOM 754 CE1 PHE A 47 -8.465 6.236 -12.615 1.00 0.00 C ATOM 755 CE2 PHE A 47 -9.363 4.537 -14.098 1.00 0.00 C ATOM 756 CZ PHE A 47 -9.232 5.885 -13.733 1.00 0.00 C ATOM 0 H PHE A 47 -5.733 3.557 -9.301 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.676 3.387 -9.893 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.187 2.914 -11.512 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.540 1.836 -11.790 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.237 5.512 -11.000 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.823 2.504 -13.627 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -8.365 7.274 -12.333 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.956 4.266 -14.959 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.722 6.652 -14.314 1.00 0.00 H new ATOM 766 N LYS A 48 -8.556 0.706 -9.694 1.00 0.00 N ATOM 767 CA LYS A 48 -8.608 -0.645 -9.072 1.00 0.00 C ATOM 768 C LYS A 48 -8.919 -1.692 -10.141 1.00 0.00 C ATOM 769 O LYS A 48 -9.448 -1.386 -11.191 1.00 0.00 O ATOM 770 CB LYS A 48 -9.701 -0.669 -8.002 1.00 0.00 C ATOM 771 CG LYS A 48 -9.118 -1.195 -6.688 1.00 0.00 C ATOM 772 CD LYS A 48 -10.204 -1.940 -5.910 1.00 0.00 C ATOM 773 CE LYS A 48 -9.781 -2.078 -4.446 1.00 0.00 C ATOM 774 NZ LYS A 48 -10.677 -3.052 -3.761 1.00 0.00 N ATOM 0 H LYS A 48 -9.237 0.871 -10.435 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.644 -0.871 -8.616 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.105 0.333 -7.857 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.527 -1.303 -8.325 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.279 -1.861 -6.891 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.732 -0.368 -6.092 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.149 -1.401 -5.977 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.368 -2.925 -6.347 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.746 -2.414 -4.385 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.831 -1.109 -3.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.242 -3.353 -2.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.594 -2.602 -3.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.820 -3.881 -4.372 1.00 0.00 H new ATOM 788 N VAL A 49 -8.593 -2.927 -9.879 1.00 0.00 N ATOM 789 CA VAL A 49 -8.866 -4.002 -10.873 1.00 0.00 C ATOM 790 C VAL A 49 -9.356 -5.255 -10.144 1.00 0.00 C ATOM 791 O VAL A 49 -8.597 -5.935 -9.481 1.00 0.00 O ATOM 792 CB VAL A 49 -7.579 -4.328 -11.633 1.00 0.00 C ATOM 793 CG1 VAL A 49 -7.925 -5.049 -12.937 1.00 0.00 C ATOM 794 CG2 VAL A 49 -6.834 -3.030 -11.950 1.00 0.00 C ATOM 0 H VAL A 49 -8.148 -3.239 -9.016 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.630 -3.666 -11.574 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.947 -4.971 -11.020 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.008 -5.281 -13.479 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.457 -5.973 -12.712 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.556 -4.407 -13.551 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.916 -3.260 -12.492 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.466 -2.388 -12.563 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.588 -2.516 -11.021 1.00 0.00 H new ATOM 804 N ARG A 50 -10.617 -5.565 -10.259 1.00 0.00 N ATOM 805 CA ARG A 50 -11.152 -6.774 -9.570 1.00 0.00 C ATOM 806 C ARG A 50 -11.241 -7.931 -10.566 1.00 0.00 C ATOM 807 O ARG A 50 -11.708 -7.773 -11.677 1.00 0.00 O ATOM 808 CB ARG A 50 -12.543 -6.471 -9.013 1.00 0.00 C ATOM 809 CG ARG A 50 -12.836 -7.402 -7.837 1.00 0.00 C ATOM 810 CD ARG A 50 -14.109 -8.202 -8.122 1.00 0.00 C ATOM 811 NE ARG A 50 -13.967 -9.577 -7.564 1.00 0.00 N ATOM 812 CZ ARG A 50 -14.041 -9.768 -6.276 1.00 0.00 C ATOM 813 NH1 ARG A 50 -15.198 -9.703 -5.673 1.00 0.00 N ATOM 814 NH2 ARG A 50 -12.962 -10.025 -5.591 1.00 0.00 N ATOM 0 H ARG A 50 -11.300 -5.035 -10.800 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.487 -7.050 -8.752 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.598 -5.431 -8.690 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.295 -6.603 -9.791 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -11.997 -8.079 -7.678 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.956 -6.822 -6.922 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.971 -7.705 -7.677 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.288 -8.251 -9.196 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.812 -10.368 -8.189 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -16.042 -9.503 -6.209 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.257 -9.852 -4.666 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.059 -10.077 -6.062 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -13.021 -10.174 -4.584 1.00 0.00 H new ATOM 828 N LEU A 51 -10.795 -9.096 -10.179 1.00 0.00 N ATOM 829 CA LEU A 51 -10.853 -10.260 -11.106 1.00 0.00 C ATOM 830 C LEU A 51 -12.095 -11.101 -10.798 1.00 0.00 C ATOM 831 O LEU A 51 -12.088 -11.930 -9.910 1.00 0.00 O ATOM 832 CB LEU A 51 -9.600 -11.118 -10.921 1.00 0.00 C ATOM 833 CG LEU A 51 -8.990 -11.435 -12.288 1.00 0.00 C ATOM 834 CD1 LEU A 51 -7.842 -10.464 -12.572 1.00 0.00 C ATOM 835 CD2 LEU A 51 -8.454 -12.868 -12.286 1.00 0.00 C ATOM 0 H LEU A 51 -10.394 -9.291 -9.262 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.904 -9.902 -12.134 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.875 -10.592 -10.301 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.853 -12.042 -10.401 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.753 -11.332 -13.059 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.407 -10.690 -13.546 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.221 -9.442 -12.572 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.079 -10.568 -11.801 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.019 -13.095 -13.259 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.691 -12.970 -11.515 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.270 -13.561 -12.082 1.00 0.00 H new ATOM 847 N LEU A 52 -13.159 -10.897 -11.526 1.00 0.00 N ATOM 848 CA LEU A 52 -14.394 -11.691 -11.272 1.00 0.00 C ATOM 849 C LEU A 52 -14.246 -13.075 -11.907 1.00 0.00 C ATOM 850 O LEU A 52 -14.224 -13.216 -13.114 1.00 0.00 O ATOM 851 CB LEU A 52 -15.605 -10.976 -11.875 1.00 0.00 C ATOM 852 CG LEU A 52 -16.861 -11.358 -11.090 1.00 0.00 C ATOM 853 CD1 LEU A 52 -17.644 -10.095 -10.729 1.00 0.00 C ATOM 854 CD2 LEU A 52 -17.738 -12.274 -11.948 1.00 0.00 C ATOM 0 H LEU A 52 -13.226 -10.217 -12.283 1.00 0.00 H new ATOM 0 HA LEU A 52 -14.541 -11.796 -10.197 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -15.457 -9.897 -11.844 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -15.720 -11.252 -12.923 1.00 0.00 H new ATOM 0 HG LEU A 52 -16.573 -11.879 -10.177 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -18.539 -10.369 -10.170 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -17.020 -9.442 -10.119 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -17.932 -9.572 -11.641 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -18.634 -12.547 -11.390 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -18.024 -11.752 -12.861 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -17.181 -13.175 -12.204 1.00 0.00 H new ATOM 866 N GLY A 53 -14.136 -14.094 -11.101 1.00 0.00 N ATOM 867 CA GLY A 53 -13.982 -15.470 -11.651 1.00 0.00 C ATOM 868 C GLY A 53 -13.024 -16.258 -10.759 1.00 0.00 C ATOM 869 O GLY A 53 -13.190 -17.442 -10.541 1.00 0.00 O ATOM 0 H GLY A 53 -14.146 -14.033 -10.083 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.950 -15.968 -11.696 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.598 -15.427 -12.670 1.00 0.00 H new ATOM 873 N TYR A 54 -12.023 -15.606 -10.233 1.00 0.00 N ATOM 874 CA TYR A 54 -11.055 -16.308 -9.348 1.00 0.00 C ATOM 875 C TYR A 54 -11.603 -16.329 -7.921 1.00 0.00 C ATOM 876 O TYR A 54 -11.362 -17.248 -7.164 1.00 0.00 O ATOM 877 CB TYR A 54 -9.714 -15.570 -9.370 1.00 0.00 C ATOM 878 CG TYR A 54 -8.858 -16.109 -10.491 1.00 0.00 C ATOM 879 CD1 TYR A 54 -9.384 -16.211 -11.786 1.00 0.00 C ATOM 880 CD2 TYR A 54 -7.540 -16.510 -10.235 1.00 0.00 C ATOM 881 CE1 TYR A 54 -8.590 -16.712 -12.825 1.00 0.00 C ATOM 882 CE2 TYR A 54 -6.746 -17.012 -11.275 1.00 0.00 C ATOM 883 CZ TYR A 54 -7.271 -17.113 -12.570 1.00 0.00 C ATOM 884 OH TYR A 54 -6.490 -17.607 -13.595 1.00 0.00 O ATOM 0 H TYR A 54 -11.835 -14.614 -10.380 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.910 -17.329 -9.700 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.878 -14.501 -9.506 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.203 -15.695 -8.416 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -10.401 -15.904 -11.982 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -7.136 -16.432 -9.236 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.994 -16.790 -13.824 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.730 -17.321 -11.078 1.00 0.00 H new ATOM 0 HH TYR A 54 -5.603 -17.837 -13.248 1.00 0.00 H new ATOM 894 N GLU A 55 -12.342 -15.320 -7.551 1.00 0.00 N ATOM 895 CA GLU A 55 -12.912 -15.276 -6.176 1.00 0.00 C ATOM 896 C GLU A 55 -11.796 -15.006 -5.167 1.00 0.00 C ATOM 897 O GLU A 55 -11.089 -15.904 -4.753 1.00 0.00 O ATOM 898 CB GLU A 55 -13.577 -16.616 -5.856 1.00 0.00 C ATOM 899 CG GLU A 55 -14.996 -16.369 -5.340 1.00 0.00 C ATOM 900 CD GLU A 55 -15.991 -17.183 -6.170 1.00 0.00 C ATOM 901 OE1 GLU A 55 -15.792 -18.380 -6.291 1.00 0.00 O ATOM 902 OE2 GLU A 55 -16.934 -16.594 -6.671 1.00 0.00 O ATOM 0 H GLU A 55 -12.576 -14.523 -8.143 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.653 -14.479 -6.117 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.606 -17.242 -6.748 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.995 -17.154 -5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.066 -16.651 -4.289 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.237 -15.308 -5.402 1.00 0.00 H new ATOM 909 N GLY A 56 -11.633 -13.776 -4.764 1.00 0.00 N ATOM 910 CA GLY A 56 -10.564 -13.449 -3.779 1.00 0.00 C ATOM 911 C GLY A 56 -9.410 -12.737 -4.490 1.00 0.00 C ATOM 912 O GLY A 56 -8.352 -12.540 -3.928 1.00 0.00 O ATOM 0 H GLY A 56 -12.194 -12.983 -5.074 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.965 -12.814 -2.989 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.204 -14.361 -3.302 1.00 0.00 H new ATOM 916 N HIS A 57 -9.607 -12.350 -5.720 1.00 0.00 N ATOM 917 CA HIS A 57 -8.519 -11.652 -6.463 1.00 0.00 C ATOM 918 C HIS A 57 -8.778 -10.144 -6.453 1.00 0.00 C ATOM 919 O HIS A 57 -9.409 -9.606 -7.342 1.00 0.00 O ATOM 920 CB HIS A 57 -8.483 -12.151 -7.909 1.00 0.00 C ATOM 921 CG HIS A 57 -7.086 -12.583 -8.256 1.00 0.00 C ATOM 922 ND1 HIS A 57 -6.580 -12.485 -9.543 1.00 0.00 N ATOM 923 CD2 HIS A 57 -6.075 -13.118 -7.496 1.00 0.00 C ATOM 924 CE1 HIS A 57 -5.318 -12.951 -9.520 1.00 0.00 C ATOM 925 NE2 HIS A 57 -4.959 -13.349 -8.296 1.00 0.00 N ATOM 0 H HIS A 57 -10.472 -12.486 -6.242 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.563 -11.861 -5.982 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.174 -12.984 -8.035 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.809 -11.361 -8.586 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -6.136 -13.328 -6.438 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.674 -12.998 -10.385 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -4.061 -13.738 -8.009 1.00 0.00 H new ATOM 933 N GLU A 58 -8.294 -9.456 -5.455 1.00 0.00 N ATOM 934 CA GLU A 58 -8.511 -7.983 -5.391 1.00 0.00 C ATOM 935 C GLU A 58 -7.237 -7.263 -5.836 1.00 0.00 C ATOM 936 O GLU A 58 -6.297 -7.110 -5.078 1.00 0.00 O ATOM 937 CB GLU A 58 -8.855 -7.576 -3.957 1.00 0.00 C ATOM 938 CG GLU A 58 -9.695 -6.297 -3.975 1.00 0.00 C ATOM 939 CD GLU A 58 -11.042 -6.560 -3.300 1.00 0.00 C ATOM 940 OE1 GLU A 58 -11.935 -7.047 -3.973 1.00 0.00 O ATOM 941 OE2 GLU A 58 -11.158 -6.269 -2.121 1.00 0.00 O ATOM 0 H GLU A 58 -7.758 -9.850 -4.682 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.334 -7.708 -6.050 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.404 -8.377 -3.463 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.941 -7.415 -3.385 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.167 -5.496 -3.457 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.850 -5.966 -5.002 1.00 0.00 H new ATOM 948 N CYS A 59 -7.196 -6.818 -7.061 1.00 0.00 N ATOM 949 CA CYS A 59 -5.985 -6.110 -7.553 1.00 0.00 C ATOM 950 C CYS A 59 -6.249 -4.603 -7.557 1.00 0.00 C ATOM 951 O CYS A 59 -7.365 -4.158 -7.382 1.00 0.00 O ATOM 952 CB CYS A 59 -5.667 -6.576 -8.976 1.00 0.00 C ATOM 953 SG CYS A 59 -3.948 -6.174 -9.377 1.00 0.00 S ATOM 0 H CYS A 59 -7.950 -6.915 -7.742 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.140 -6.331 -6.901 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.829 -7.650 -9.062 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.339 -6.094 -9.686 1.00 0.00 H new ATOM 0 HG CYS A 59 -3.460 -5.393 -8.459 1.00 0.00 H new ATOM 959 N ILE A 60 -5.230 -3.817 -7.760 1.00 0.00 N ATOM 960 CA ILE A 60 -5.413 -2.342 -7.783 1.00 0.00 C ATOM 961 C ILE A 60 -4.603 -1.769 -8.944 1.00 0.00 C ATOM 962 O ILE A 60 -3.505 -2.209 -9.216 1.00 0.00 O ATOM 963 CB ILE A 60 -4.918 -1.740 -6.465 1.00 0.00 C ATOM 964 CG1 ILE A 60 -3.753 -2.573 -5.927 1.00 0.00 C ATOM 965 CG2 ILE A 60 -6.055 -1.740 -5.444 1.00 0.00 C ATOM 966 CD1 ILE A 60 -3.089 -1.831 -4.767 1.00 0.00 C ATOM 0 H ILE A 60 -4.273 -4.136 -7.912 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.468 -2.100 -7.908 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.584 -0.717 -6.639 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.112 -3.546 -5.592 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.027 -2.756 -6.719 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.702 -1.311 -4.506 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.886 -1.146 -5.825 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -6.390 -2.763 -5.272 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.259 -2.424 -4.383 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.716 -0.868 -5.117 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.818 -1.671 -3.973 1.00 0.00 H new ATOM 978 N LEU A 61 -5.125 -0.796 -9.636 1.00 0.00 N ATOM 979 CA LEU A 61 -4.364 -0.220 -10.778 1.00 0.00 C ATOM 980 C LEU A 61 -3.659 1.057 -10.331 1.00 0.00 C ATOM 981 O LEU A 61 -4.267 1.964 -9.787 1.00 0.00 O ATOM 982 CB LEU A 61 -5.316 0.098 -11.930 1.00 0.00 C ATOM 983 CG LEU A 61 -4.506 0.262 -13.216 1.00 0.00 C ATOM 984 CD1 LEU A 61 -4.815 -0.899 -14.164 1.00 0.00 C ATOM 985 CD2 LEU A 61 -4.881 1.584 -13.889 1.00 0.00 C ATOM 0 H LEU A 61 -6.039 -0.377 -9.462 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.623 -0.945 -11.115 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.047 -0.702 -12.045 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.873 1.011 -11.717 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.442 0.264 -12.979 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.238 -0.783 -15.081 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.549 -1.841 -13.684 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.879 -0.901 -14.402 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.304 1.702 -14.806 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.945 1.582 -14.127 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.662 2.411 -13.214 1.00 0.00 H new ATOM 997 N LEU A 62 -2.376 1.132 -10.555 1.00 0.00 N ATOM 998 CA LEU A 62 -1.617 2.345 -10.144 1.00 0.00 C ATOM 999 C LEU A 62 -0.278 2.384 -10.882 1.00 0.00 C ATOM 1000 O LEU A 62 0.199 3.434 -11.263 1.00 0.00 O ATOM 1001 CB LEU A 62 -1.368 2.296 -8.634 1.00 0.00 C ATOM 1002 CG LEU A 62 -1.526 3.697 -8.042 1.00 0.00 C ATOM 1003 CD1 LEU A 62 -0.991 3.708 -6.609 1.00 0.00 C ATOM 1004 CD2 LEU A 62 -0.737 4.701 -8.886 1.00 0.00 C ATOM 0 H LEU A 62 -1.821 0.405 -11.005 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.191 3.238 -10.391 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.070 1.609 -8.162 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.366 1.916 -8.433 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.581 3.973 -8.040 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.103 4.706 -6.186 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.551 2.994 -6.006 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.063 3.432 -6.612 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.850 5.699 -8.464 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.318 4.425 -8.888 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.116 4.694 -9.908 1.00 0.00 H new ATOM 1016 N ASP A 63 0.330 1.248 -11.090 1.00 0.00 N ATOM 1017 CA ASP A 63 1.636 1.226 -11.806 1.00 0.00 C ATOM 1018 C ASP A 63 1.527 2.071 -13.074 1.00 0.00 C ATOM 1019 O ASP A 63 2.382 2.881 -13.369 1.00 0.00 O ATOM 1020 CB ASP A 63 1.992 -0.214 -12.182 1.00 0.00 C ATOM 1021 CG ASP A 63 2.922 -0.804 -11.120 1.00 0.00 C ATOM 1022 OD1 ASP A 63 2.494 -0.918 -9.984 1.00 0.00 O ATOM 1023 OD2 ASP A 63 4.046 -1.133 -11.462 1.00 0.00 O ATOM 0 H ASP A 63 -0.021 0.336 -10.796 1.00 0.00 H new ATOM 0 HA ASP A 63 2.414 1.632 -11.159 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.086 -0.815 -12.262 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.476 -0.237 -13.158 1.00 0.00 H new ATOM 1028 N TYR A 64 0.476 1.890 -13.826 1.00 0.00 N ATOM 1029 CA TYR A 64 0.310 2.686 -15.072 1.00 0.00 C ATOM 1030 C TYR A 64 -1.046 3.392 -15.048 1.00 0.00 C ATOM 1031 O TYR A 64 -1.840 3.264 -15.957 1.00 0.00 O ATOM 1032 CB TYR A 64 0.381 1.759 -16.286 1.00 0.00 C ATOM 1033 CG TYR A 64 1.653 2.032 -17.053 1.00 0.00 C ATOM 1034 CD1 TYR A 64 2.883 2.062 -16.381 1.00 0.00 C ATOM 1035 CD2 TYR A 64 1.604 2.255 -18.434 1.00 0.00 C ATOM 1036 CE1 TYR A 64 4.063 2.315 -17.093 1.00 0.00 C ATOM 1037 CE2 TYR A 64 2.784 2.509 -19.147 1.00 0.00 C ATOM 1038 CZ TYR A 64 4.014 2.538 -18.475 1.00 0.00 C ATOM 1039 OH TYR A 64 5.176 2.787 -19.176 1.00 0.00 O ATOM 0 H TYR A 64 -0.273 1.226 -13.631 1.00 0.00 H new ATOM 0 HA TYR A 64 1.106 3.428 -15.137 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.354 0.718 -15.964 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.485 1.917 -16.929 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.921 1.890 -15.315 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.656 2.231 -18.951 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.011 2.338 -16.576 1.00 0.00 H new ATOM 0 HE2 TYR A 64 2.746 2.682 -20.212 1.00 0.00 H new ATOM 0 HH TYR A 64 4.964 2.918 -20.124 1.00 0.00 H new ATOM 1049 N LEU A 65 -1.319 4.137 -14.011 1.00 0.00 N ATOM 1050 CA LEU A 65 -2.623 4.849 -13.929 1.00 0.00 C ATOM 1051 C LEU A 65 -2.688 5.921 -15.019 1.00 0.00 C ATOM 1052 O LEU A 65 -3.665 6.038 -15.731 1.00 0.00 O ATOM 1053 CB LEU A 65 -2.760 5.509 -12.556 1.00 0.00 C ATOM 1054 CG LEU A 65 -4.239 5.595 -12.179 1.00 0.00 C ATOM 1055 CD1 LEU A 65 -4.371 6.021 -10.716 1.00 0.00 C ATOM 1056 CD2 LEU A 65 -4.934 6.626 -13.074 1.00 0.00 C ATOM 0 H LEU A 65 -0.694 4.282 -13.218 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.435 4.136 -14.071 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.216 4.933 -11.808 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.319 6.506 -12.574 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.705 4.619 -12.316 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.426 6.082 -10.449 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.877 5.289 -10.078 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.905 6.996 -10.578 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.989 6.688 -12.806 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.467 7.601 -12.937 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.842 6.323 -14.117 1.00 0.00 H new ATOM 1068 N ASN A 66 -1.654 6.705 -15.155 1.00 0.00 N ATOM 1069 CA ASN A 66 -1.658 7.767 -16.198 1.00 0.00 C ATOM 1070 C ASN A 66 -2.901 8.641 -16.027 1.00 0.00 C ATOM 1071 O ASN A 66 -3.988 8.281 -16.434 1.00 0.00 O ATOM 1072 CB ASN A 66 -1.674 7.120 -17.585 1.00 0.00 C ATOM 1073 CG ASN A 66 -0.558 6.078 -17.674 1.00 0.00 C ATOM 1074 OD1 ASN A 66 -0.709 5.060 -18.320 1.00 0.00 O ATOM 1075 ND2 ASN A 66 0.568 6.290 -17.048 1.00 0.00 N ATOM 0 H ASN A 66 -0.807 6.655 -14.589 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.764 8.382 -16.096 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.640 6.650 -17.768 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -1.539 7.880 -18.354 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.319 5.602 -17.102 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.697 7.144 -16.505 1.00 0.00 H new ATOM 1082 N TYR A 67 -2.751 9.787 -15.421 1.00 0.00 N ATOM 1083 CA TYR A 67 -3.926 10.682 -15.218 1.00 0.00 C ATOM 1084 C TYR A 67 -4.320 11.325 -16.549 1.00 0.00 C ATOM 1085 O TYR A 67 -3.525 11.979 -17.195 1.00 0.00 O ATOM 1086 CB TYR A 67 -3.564 11.775 -14.211 1.00 0.00 C ATOM 1087 CG TYR A 67 -4.372 11.583 -12.950 1.00 0.00 C ATOM 1088 CD1 TYR A 67 -5.666 12.112 -12.859 1.00 0.00 C ATOM 1089 CD2 TYR A 67 -3.826 10.877 -11.870 1.00 0.00 C ATOM 1090 CE1 TYR A 67 -6.415 11.934 -11.688 1.00 0.00 C ATOM 1091 CE2 TYR A 67 -4.576 10.699 -10.699 1.00 0.00 C ATOM 1092 CZ TYR A 67 -5.870 11.227 -10.608 1.00 0.00 C ATOM 1093 OH TYR A 67 -6.608 11.052 -9.456 1.00 0.00 O ATOM 0 H TYR A 67 -1.867 10.142 -15.058 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.764 10.098 -14.838 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.499 11.736 -13.983 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.763 12.758 -14.637 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.086 12.657 -13.691 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.828 10.470 -11.940 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.413 12.342 -11.618 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.156 10.154 -9.867 1.00 0.00 H new ATOM 0 HH TYR A 67 -6.401 10.177 -9.065 1.00 0.00 H new ATOM 1103 N ARG A 68 -5.545 11.145 -16.962 1.00 0.00 N ATOM 1104 CA ARG A 68 -5.996 11.746 -18.249 1.00 0.00 C ATOM 1105 C ARG A 68 -7.112 12.757 -17.972 1.00 0.00 C ATOM 1106 O ARG A 68 -8.238 12.393 -17.699 1.00 0.00 O ATOM 1107 CB ARG A 68 -6.519 10.642 -19.170 1.00 0.00 C ATOM 1108 CG ARG A 68 -5.487 10.358 -20.263 1.00 0.00 C ATOM 1109 CD ARG A 68 -5.846 9.056 -20.982 1.00 0.00 C ATOM 1110 NE ARG A 68 -6.434 9.370 -22.315 1.00 0.00 N ATOM 1111 CZ ARG A 68 -5.656 9.515 -23.353 1.00 0.00 C ATOM 1112 NH1 ARG A 68 -4.693 8.661 -23.571 1.00 0.00 N ATOM 1113 NH2 ARG A 68 -5.842 10.512 -24.175 1.00 0.00 N ATOM 0 H ARG A 68 -6.254 10.607 -16.463 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.159 12.252 -18.731 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.714 9.737 -18.595 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.465 10.945 -19.618 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.460 11.183 -20.975 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.491 10.281 -19.826 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.957 8.437 -21.102 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.556 8.483 -20.386 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.444 9.472 -22.416 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.549 7.881 -22.930 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.085 8.774 -24.382 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.596 11.178 -24.006 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.234 10.625 -24.986 1.00 0.00 H new ATOM 1127 N GLN A 69 -6.805 14.025 -18.035 1.00 0.00 N ATOM 1128 CA GLN A 69 -7.847 15.058 -17.771 1.00 0.00 C ATOM 1129 C GLN A 69 -8.073 15.894 -19.033 1.00 0.00 C ATOM 1130 O GLN A 69 -7.384 16.864 -19.278 1.00 0.00 O ATOM 1131 CB GLN A 69 -7.380 15.968 -16.633 1.00 0.00 C ATOM 1132 CG GLN A 69 -6.914 15.113 -15.453 1.00 0.00 C ATOM 1133 CD GLN A 69 -5.541 15.595 -14.982 1.00 0.00 C ATOM 1134 OE1 GLN A 69 -4.526 15.157 -15.486 1.00 0.00 O ATOM 1135 NE2 GLN A 69 -5.465 16.486 -14.032 1.00 0.00 N ATOM 0 H GLN A 69 -5.879 14.389 -18.258 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.780 14.570 -17.490 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -6.567 16.608 -16.975 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -8.193 16.624 -16.321 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -7.633 15.178 -14.637 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -6.861 14.065 -15.748 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -6.317 16.854 -13.609 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.554 16.815 -13.713 1.00 0.00 H new ATOM 1144 N ASP A 70 -9.036 15.528 -19.835 1.00 0.00 N ATOM 1145 CA ASP A 70 -9.307 16.303 -21.078 1.00 0.00 C ATOM 1146 C ASP A 70 -10.820 16.424 -21.283 1.00 0.00 C ATOM 1147 O ASP A 70 -11.599 15.752 -20.637 1.00 0.00 O ATOM 1148 CB ASP A 70 -8.686 15.578 -22.275 1.00 0.00 C ATOM 1149 CG ASP A 70 -7.979 16.592 -23.177 1.00 0.00 C ATOM 1150 OD1 ASP A 70 -8.384 17.744 -23.172 1.00 0.00 O ATOM 1151 OD2 ASP A 70 -7.046 16.201 -23.858 1.00 0.00 O ATOM 0 H ASP A 70 -9.647 14.725 -19.682 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.871 17.298 -20.990 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.976 14.826 -21.930 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.459 15.053 -22.836 1.00 0.00 H new ATOM 1156 N THR A 71 -11.242 17.276 -22.178 1.00 0.00 N ATOM 1157 CA THR A 71 -12.704 17.440 -22.421 1.00 0.00 C ATOM 1158 C THR A 71 -13.358 16.065 -22.571 1.00 0.00 C ATOM 1159 O THR A 71 -12.698 15.076 -22.822 1.00 0.00 O ATOM 1160 CB THR A 71 -12.921 18.249 -23.702 1.00 0.00 C ATOM 1161 OG1 THR A 71 -11.690 18.364 -24.402 1.00 0.00 O ATOM 1162 CG2 THR A 71 -13.440 19.643 -23.346 1.00 0.00 C ATOM 0 H THR A 71 -10.638 17.865 -22.751 1.00 0.00 H new ATOM 0 HA THR A 71 -13.153 17.964 -21.578 1.00 0.00 H new ATOM 0 HB THR A 71 -13.652 17.742 -24.332 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.828 18.880 -25.223 1.00 0.00 H new ATOM 0 HG21 THR A 71 -13.594 20.218 -24.259 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.385 19.554 -22.810 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.712 20.152 -22.715 1.00 0.00 H new ATOM 1170 N LEU A 72 -14.651 15.998 -22.417 1.00 0.00 N ATOM 1171 CA LEU A 72 -15.352 14.691 -22.547 1.00 0.00 C ATOM 1172 C LEU A 72 -14.833 13.722 -21.485 1.00 0.00 C ATOM 1173 O LEU A 72 -14.354 12.648 -21.788 1.00 0.00 O ATOM 1174 CB LEU A 72 -15.100 14.108 -23.938 1.00 0.00 C ATOM 1175 CG LEU A 72 -16.441 13.809 -24.608 1.00 0.00 C ATOM 1176 CD1 LEU A 72 -16.200 13.128 -25.955 1.00 0.00 C ATOM 1177 CD2 LEU A 72 -17.263 12.884 -23.709 1.00 0.00 C ATOM 0 H LEU A 72 -15.253 16.794 -22.206 1.00 0.00 H new ATOM 0 HA LEU A 72 -16.422 14.842 -22.407 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -14.527 14.812 -24.542 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.507 13.197 -23.862 1.00 0.00 H new ATOM 0 HG LEU A 72 -16.984 14.741 -24.766 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -17.157 12.915 -26.432 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -15.614 13.787 -26.596 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -15.657 12.196 -25.799 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -18.220 12.670 -24.185 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -16.719 11.952 -23.551 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -17.436 13.370 -22.749 1.00 0.00 H new ATOM 1189 N ASP A 73 -14.926 14.097 -20.241 1.00 0.00 N ATOM 1190 CA ASP A 73 -14.440 13.200 -19.154 1.00 0.00 C ATOM 1191 C ASP A 73 -15.582 12.290 -18.701 1.00 0.00 C ATOM 1192 O ASP A 73 -15.368 11.171 -18.277 1.00 0.00 O ATOM 1193 CB ASP A 73 -13.962 14.046 -17.972 1.00 0.00 C ATOM 1194 CG ASP A 73 -12.535 13.640 -17.595 1.00 0.00 C ATOM 1195 OD1 ASP A 73 -11.881 13.015 -18.414 1.00 0.00 O ATOM 1196 OD2 ASP A 73 -12.121 13.960 -16.493 1.00 0.00 O ATOM 0 H ASP A 73 -15.317 14.986 -19.928 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.614 12.592 -19.523 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.993 15.104 -18.233 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.628 13.908 -17.120 1.00 0.00 H new ATOM 1201 N ARG A 74 -16.797 12.760 -18.787 1.00 0.00 N ATOM 1202 CA ARG A 74 -17.953 11.922 -18.363 1.00 0.00 C ATOM 1203 C ARG A 74 -17.810 10.516 -18.951 1.00 0.00 C ATOM 1204 O ARG A 74 -17.822 9.532 -18.239 1.00 0.00 O ATOM 1205 CB ARG A 74 -19.252 12.554 -18.870 1.00 0.00 C ATOM 1206 CG ARG A 74 -19.312 14.020 -18.433 1.00 0.00 C ATOM 1207 CD ARG A 74 -20.773 14.447 -18.276 1.00 0.00 C ATOM 1208 NE ARG A 74 -21.490 14.245 -19.567 1.00 0.00 N ATOM 1209 CZ ARG A 74 -22.259 15.186 -20.041 1.00 0.00 C ATOM 1210 NH1 ARG A 74 -23.148 15.753 -19.270 1.00 0.00 N ATOM 1211 NH2 ARG A 74 -22.142 15.560 -21.285 1.00 0.00 N ATOM 0 H ARG A 74 -17.038 13.689 -19.133 1.00 0.00 H new ATOM 0 HA ARG A 74 -17.976 11.860 -17.275 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -19.302 12.485 -19.957 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -20.111 12.011 -18.476 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -18.780 14.152 -17.491 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -18.815 14.651 -19.170 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -21.250 13.865 -17.487 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -20.827 15.494 -17.977 1.00 0.00 H new ATOM 0 HE ARG A 74 -21.379 13.370 -20.080 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -23.241 15.460 -18.297 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -23.749 16.489 -19.641 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -21.449 15.117 -21.888 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -22.744 16.296 -21.655 1.00 0.00 H new ATOM 1225 N LEU A 75 -17.679 10.416 -20.246 1.00 0.00 N ATOM 1226 CA LEU A 75 -17.539 9.076 -20.883 1.00 0.00 C ATOM 1227 C LEU A 75 -16.578 8.211 -20.062 1.00 0.00 C ATOM 1228 O LEU A 75 -16.920 7.132 -19.622 1.00 0.00 O ATOM 1229 CB LEU A 75 -16.991 9.243 -22.302 1.00 0.00 C ATOM 1230 CG LEU A 75 -17.387 8.032 -23.149 1.00 0.00 C ATOM 1231 CD1 LEU A 75 -18.816 8.216 -23.666 1.00 0.00 C ATOM 1232 CD2 LEU A 75 -16.429 7.906 -24.336 1.00 0.00 C ATOM 0 H LEU A 75 -17.663 11.206 -20.891 1.00 0.00 H new ATOM 0 HA LEU A 75 -18.514 8.591 -20.923 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -17.383 10.156 -22.749 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.906 9.342 -22.275 1.00 0.00 H new ATOM 0 HG LEU A 75 -17.334 7.130 -22.540 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -19.098 7.353 -24.270 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -19.499 8.308 -22.822 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -18.869 9.118 -24.275 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -16.710 7.044 -24.940 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -16.483 8.809 -24.945 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -15.411 7.776 -23.970 1.00 0.00 H new ATOM 1244 N LYS A 76 -15.376 8.675 -19.853 1.00 0.00 N ATOM 1245 CA LYS A 76 -14.396 7.876 -19.063 1.00 0.00 C ATOM 1246 C LYS A 76 -15.051 7.394 -17.768 1.00 0.00 C ATOM 1247 O LYS A 76 -14.965 6.235 -17.411 1.00 0.00 O ATOM 1248 CB LYS A 76 -13.182 8.746 -18.727 1.00 0.00 C ATOM 1249 CG LYS A 76 -12.006 7.852 -18.327 1.00 0.00 C ATOM 1250 CD LYS A 76 -10.731 8.351 -19.010 1.00 0.00 C ATOM 1251 CE LYS A 76 -9.684 7.236 -19.015 1.00 0.00 C ATOM 1252 NZ LYS A 76 -8.751 7.437 -20.159 1.00 0.00 N ATOM 0 H LYS A 76 -15.030 9.572 -20.195 1.00 0.00 H new ATOM 0 HA LYS A 76 -14.076 7.014 -19.649 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.911 9.358 -19.587 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.426 9.430 -17.914 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.879 7.862 -17.244 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.206 6.820 -18.615 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.951 8.662 -20.031 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.344 9.225 -18.487 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.131 7.238 -18.076 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.172 6.265 -19.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.833 6.999 -19.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.149 6.997 -21.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.618 8.455 -20.324 1.00 0.00 H new ATOM 1266 N GLU A 77 -15.704 8.274 -17.057 1.00 0.00 N ATOM 1267 CA GLU A 77 -16.361 7.865 -15.783 1.00 0.00 C ATOM 1268 C GLU A 77 -17.284 6.671 -16.039 1.00 0.00 C ATOM 1269 O GLU A 77 -17.200 5.657 -15.375 1.00 0.00 O ATOM 1270 CB GLU A 77 -17.181 9.034 -15.234 1.00 0.00 C ATOM 1271 CG GLU A 77 -17.941 8.584 -13.984 1.00 0.00 C ATOM 1272 CD GLU A 77 -19.445 8.608 -14.267 1.00 0.00 C ATOM 1273 OE1 GLU A 77 -19.854 9.373 -15.124 1.00 0.00 O ATOM 1274 OE2 GLU A 77 -20.161 7.862 -13.620 1.00 0.00 O ATOM 0 H GLU A 77 -15.811 9.258 -17.304 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.598 7.582 -15.058 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -16.525 9.870 -14.992 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -17.882 9.387 -15.991 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -17.630 7.579 -13.698 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -17.707 9.241 -13.146 1.00 0.00 H new ATOM 1281 N ARG A 78 -18.166 6.781 -16.994 1.00 0.00 N ATOM 1282 CA ARG A 78 -19.091 5.649 -17.285 1.00 0.00 C ATOM 1283 C ARG A 78 -18.297 4.343 -17.331 1.00 0.00 C ATOM 1284 O ARG A 78 -18.517 3.444 -16.544 1.00 0.00 O ATOM 1285 CB ARG A 78 -19.776 5.882 -18.633 1.00 0.00 C ATOM 1286 CG ARG A 78 -21.271 6.114 -18.410 1.00 0.00 C ATOM 1287 CD ARG A 78 -21.914 6.596 -19.711 1.00 0.00 C ATOM 1288 NE ARG A 78 -23.182 7.312 -19.401 1.00 0.00 N ATOM 1289 CZ ARG A 78 -23.148 8.544 -18.974 1.00 0.00 C ATOM 1290 NH1 ARG A 78 -22.394 9.422 -19.577 1.00 0.00 N ATOM 1291 NH2 ARG A 78 -23.867 8.899 -17.945 1.00 0.00 N ATOM 0 H ARG A 78 -18.286 7.604 -17.584 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.847 5.586 -16.503 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.334 6.743 -19.134 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -19.624 5.021 -19.284 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -21.747 5.192 -18.077 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -21.421 6.853 -17.623 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -21.231 7.258 -20.244 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -22.113 5.748 -20.367 1.00 0.00 H new ATOM 0 HE ARG A 78 -24.077 6.839 -19.523 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -21.832 9.145 -20.382 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -22.367 10.386 -19.244 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -24.456 8.213 -17.474 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -23.840 9.863 -17.612 1.00 0.00 H new ATOM 1305 N LEU A 79 -17.372 4.231 -18.245 1.00 0.00 N ATOM 1306 CA LEU A 79 -16.564 2.983 -18.335 1.00 0.00 C ATOM 1307 C LEU A 79 -15.889 2.722 -16.988 1.00 0.00 C ATOM 1308 O LEU A 79 -16.333 1.905 -16.206 1.00 0.00 O ATOM 1309 CB LEU A 79 -15.493 3.143 -19.416 1.00 0.00 C ATOM 1310 CG LEU A 79 -16.157 3.173 -20.793 1.00 0.00 C ATOM 1311 CD1 LEU A 79 -16.358 4.624 -21.233 1.00 0.00 C ATOM 1312 CD2 LEU A 79 -15.259 2.454 -21.805 1.00 0.00 C ATOM 0 H LEU A 79 -17.142 4.949 -18.932 1.00 0.00 H new ATOM 0 HA LEU A 79 -17.214 2.146 -18.590 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -14.930 4.062 -19.252 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -14.781 2.319 -19.362 1.00 0.00 H new ATOM 0 HG LEU A 79 -17.124 2.673 -20.741 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -16.831 4.644 -22.215 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -16.994 5.138 -20.513 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -15.392 5.125 -21.286 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -15.730 2.474 -22.788 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -14.293 2.956 -21.855 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -15.114 1.420 -21.493 1.00 0.00 H new ATOM 1324 N VAL A 80 -14.821 3.418 -16.710 1.00 0.00 N ATOM 1325 CA VAL A 80 -14.113 3.223 -15.413 1.00 0.00 C ATOM 1326 C VAL A 80 -13.879 1.731 -15.161 1.00 0.00 C ATOM 1327 O VAL A 80 -12.861 1.183 -15.532 1.00 0.00 O ATOM 1328 CB VAL A 80 -14.957 3.810 -14.279 1.00 0.00 C ATOM 1329 CG1 VAL A 80 -14.429 3.316 -12.929 1.00 0.00 C ATOM 1330 CG2 VAL A 80 -14.874 5.338 -14.324 1.00 0.00 C ATOM 0 H VAL A 80 -14.407 4.116 -17.328 1.00 0.00 H new ATOM 0 HA VAL A 80 -13.149 3.731 -15.452 1.00 0.00 H new ATOM 0 HB VAL A 80 -15.992 3.492 -14.400 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -15.034 3.737 -12.126 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -14.484 2.228 -12.893 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.393 3.631 -12.806 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -15.474 5.759 -13.517 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.836 5.650 -14.205 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -15.252 5.695 -15.282 1.00 0.00 H new ATOM 1340 N GLY A 81 -14.805 1.076 -14.515 1.00 0.00 N ATOM 1341 CA GLY A 81 -14.624 -0.372 -14.217 1.00 0.00 C ATOM 1342 C GLY A 81 -14.970 -1.234 -15.430 1.00 0.00 C ATOM 1343 O GLY A 81 -15.143 -2.431 -15.314 1.00 0.00 O ATOM 0 H GLY A 81 -15.679 1.482 -14.181 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.592 -0.558 -13.918 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -15.256 -0.654 -13.375 1.00 0.00 H new ATOM 1347 N ARG A 82 -15.057 -0.655 -16.592 1.00 0.00 N ATOM 1348 CA ARG A 82 -15.372 -1.474 -17.794 1.00 0.00 C ATOM 1349 C ARG A 82 -14.448 -2.692 -17.813 1.00 0.00 C ATOM 1350 O ARG A 82 -13.566 -2.825 -16.988 1.00 0.00 O ATOM 1351 CB ARG A 82 -15.142 -0.636 -19.054 1.00 0.00 C ATOM 1352 CG ARG A 82 -16.354 -0.757 -19.978 1.00 0.00 C ATOM 1353 CD ARG A 82 -15.943 -1.481 -21.262 1.00 0.00 C ATOM 1354 NE ARG A 82 -17.118 -1.586 -22.172 1.00 0.00 N ATOM 1355 CZ ARG A 82 -17.109 -2.445 -23.154 1.00 0.00 C ATOM 1356 NH1 ARG A 82 -17.420 -3.692 -22.933 1.00 0.00 N ATOM 1357 NH2 ARG A 82 -16.787 -2.055 -24.358 1.00 0.00 N ATOM 0 H ARG A 82 -14.925 0.342 -16.762 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.412 -1.798 -17.764 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -14.980 0.408 -18.784 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.244 -0.975 -19.570 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -17.153 -1.305 -19.478 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -16.745 0.232 -20.214 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -15.135 -0.940 -21.755 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -15.563 -2.475 -21.026 1.00 0.00 H new ATOM 0 HE ARG A 82 -17.930 -0.986 -22.027 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -17.670 -3.996 -21.992 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -17.413 -4.363 -23.701 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -16.543 -1.080 -24.530 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -16.780 -2.726 -25.126 1.00 0.00 H new ATOM 1371 N VAL A 83 -14.633 -3.578 -18.747 1.00 0.00 N ATOM 1372 CA VAL A 83 -13.753 -4.779 -18.810 1.00 0.00 C ATOM 1373 C VAL A 83 -12.650 -4.522 -19.833 1.00 0.00 C ATOM 1374 O VAL A 83 -12.913 -4.222 -20.981 1.00 0.00 O ATOM 1375 CB VAL A 83 -14.568 -6.003 -19.233 1.00 0.00 C ATOM 1376 CG1 VAL A 83 -13.622 -7.176 -19.499 1.00 0.00 C ATOM 1377 CG2 VAL A 83 -15.541 -6.380 -18.114 1.00 0.00 C ATOM 0 H VAL A 83 -15.352 -3.525 -19.468 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.318 -4.968 -17.828 1.00 0.00 H new ATOM 0 HB VAL A 83 -15.128 -5.771 -20.139 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.201 -8.049 -19.800 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.926 -6.909 -20.295 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.064 -7.406 -18.591 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.122 -7.252 -18.415 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -14.981 -6.612 -17.208 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.214 -5.545 -17.921 1.00 0.00 H new ATOM 1387 N ILE A 84 -11.414 -4.616 -19.425 1.00 0.00 N ATOM 1388 CA ILE A 84 -10.301 -4.352 -20.380 1.00 0.00 C ATOM 1389 C ILE A 84 -9.152 -5.334 -20.134 1.00 0.00 C ATOM 1390 O ILE A 84 -9.172 -6.108 -19.199 1.00 0.00 O ATOM 1391 CB ILE A 84 -9.805 -2.914 -20.187 1.00 0.00 C ATOM 1392 CG1 ILE A 84 -8.893 -2.836 -18.954 1.00 0.00 C ATOM 1393 CG2 ILE A 84 -11.005 -1.982 -19.988 1.00 0.00 C ATOM 1394 CD1 ILE A 84 -9.698 -3.153 -17.692 1.00 0.00 C ATOM 0 H ILE A 84 -11.128 -4.863 -18.478 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.661 -4.483 -21.401 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.244 -2.609 -21.070 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -8.067 -3.540 -19.056 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.455 -1.841 -18.877 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.653 -0.960 -19.851 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -11.651 -2.029 -20.865 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.566 -2.294 -19.107 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -9.046 -3.096 -16.821 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.508 -2.432 -17.587 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -10.114 -4.157 -17.769 1.00 0.00 H new ATOM 1406 N LYS A 85 -8.146 -5.297 -20.966 1.00 0.00 N ATOM 1407 CA LYS A 85 -6.989 -6.217 -20.782 1.00 0.00 C ATOM 1408 C LYS A 85 -5.812 -5.432 -20.200 1.00 0.00 C ATOM 1409 O LYS A 85 -5.313 -4.505 -20.806 1.00 0.00 O ATOM 1410 CB LYS A 85 -6.589 -6.810 -22.134 1.00 0.00 C ATOM 1411 CG LYS A 85 -6.200 -5.680 -23.090 1.00 0.00 C ATOM 1412 CD LYS A 85 -4.706 -5.775 -23.410 1.00 0.00 C ATOM 1413 CE LYS A 85 -4.496 -5.601 -24.915 1.00 0.00 C ATOM 1414 NZ LYS A 85 -5.321 -6.601 -25.651 1.00 0.00 N ATOM 0 H LYS A 85 -8.076 -4.668 -21.766 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.265 -7.023 -20.102 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.754 -7.499 -22.008 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.416 -7.385 -22.550 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.785 -5.748 -24.008 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.426 -4.714 -22.639 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.157 -5.008 -22.864 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -4.314 -6.739 -23.086 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.774 -4.591 -25.217 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.442 -5.730 -25.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.778 -6.974 -26.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.573 -7.381 -25.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.188 -6.146 -26.000 1.00 0.00 H new ATOM 1428 N THR A 86 -5.367 -5.792 -19.028 1.00 0.00 N ATOM 1429 CA THR A 86 -4.226 -5.061 -18.410 1.00 0.00 C ATOM 1430 C THR A 86 -3.125 -6.054 -18.032 1.00 0.00 C ATOM 1431 O THR A 86 -3.287 -7.252 -18.163 1.00 0.00 O ATOM 1432 CB THR A 86 -4.710 -4.333 -17.153 1.00 0.00 C ATOM 1433 OG1 THR A 86 -5.110 -5.290 -16.179 1.00 0.00 O ATOM 1434 CG2 THR A 86 -5.894 -3.431 -17.512 1.00 0.00 C ATOM 0 H THR A 86 -5.744 -6.560 -18.472 1.00 0.00 H new ATOM 0 HA THR A 86 -3.831 -4.337 -19.122 1.00 0.00 H new ATOM 0 HB THR A 86 -3.903 -3.722 -16.748 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.737 -4.875 -15.551 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.240 -2.912 -16.618 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.582 -2.700 -18.258 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.704 -4.038 -17.916 1.00 0.00 H new ATOM 1442 N ARG A 87 -2.007 -5.567 -17.566 1.00 0.00 N ATOM 1443 CA ARG A 87 -0.900 -6.486 -17.183 1.00 0.00 C ATOM 1444 C ARG A 87 -0.865 -6.636 -15.660 1.00 0.00 C ATOM 1445 O ARG A 87 -1.384 -5.812 -14.934 1.00 0.00 O ATOM 1446 CB ARG A 87 0.431 -5.912 -17.672 1.00 0.00 C ATOM 1447 CG ARG A 87 0.569 -6.154 -19.176 1.00 0.00 C ATOM 1448 CD ARG A 87 -0.484 -5.335 -19.924 1.00 0.00 C ATOM 1449 NE ARG A 87 0.159 -4.613 -21.058 1.00 0.00 N ATOM 1450 CZ ARG A 87 0.056 -5.079 -22.272 1.00 0.00 C ATOM 1451 NH1 ARG A 87 0.633 -6.205 -22.590 1.00 0.00 N ATOM 1452 NH2 ARG A 87 -0.627 -4.421 -23.168 1.00 0.00 N ATOM 0 H ARG A 87 -1.814 -4.574 -17.435 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.063 -7.462 -17.639 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.479 -4.844 -17.459 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.259 -6.381 -17.140 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.568 -5.873 -19.510 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.445 -7.214 -19.397 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.272 -5.990 -20.296 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.955 -4.623 -19.246 1.00 0.00 H new ATOM 0 HE ARG A 87 0.680 -3.754 -20.885 1.00 0.00 H new ATOM 0 HH11 ARG A 87 1.165 -6.721 -21.889 1.00 0.00 H new ATOM 0 HH12 ARG A 87 0.552 -6.569 -23.539 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.081 -3.542 -22.919 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.707 -4.786 -24.117 1.00 0.00 H new ATOM 1466 N VAL A 88 -0.252 -7.678 -15.172 1.00 0.00 N ATOM 1467 CA VAL A 88 -0.184 -7.878 -13.698 1.00 0.00 C ATOM 1468 C VAL A 88 1.160 -7.363 -13.187 1.00 0.00 C ATOM 1469 O VAL A 88 2.208 -7.781 -13.635 1.00 0.00 O ATOM 1470 CB VAL A 88 -0.321 -9.368 -13.379 1.00 0.00 C ATOM 1471 CG1 VAL A 88 0.076 -9.620 -11.923 1.00 0.00 C ATOM 1472 CG2 VAL A 88 -1.773 -9.800 -13.590 1.00 0.00 C ATOM 0 H VAL A 88 0.205 -8.399 -15.730 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.993 -7.332 -13.213 1.00 0.00 H new ATOM 0 HB VAL A 88 0.332 -9.941 -14.037 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.022 -10.682 -11.698 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.110 -9.310 -11.769 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.576 -9.047 -11.264 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.873 -10.861 -13.363 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.423 -9.225 -12.931 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.059 -9.622 -14.627 1.00 0.00 H new ATOM 1482 N VAL A 89 1.133 -6.446 -12.260 1.00 0.00 N ATOM 1483 CA VAL A 89 2.407 -5.891 -11.731 1.00 0.00 C ATOM 1484 C VAL A 89 2.987 -6.829 -10.668 1.00 0.00 C ATOM 1485 O VAL A 89 4.187 -6.950 -10.525 1.00 0.00 O ATOM 1486 CB VAL A 89 2.144 -4.519 -11.108 1.00 0.00 C ATOM 1487 CG1 VAL A 89 3.408 -4.030 -10.400 1.00 0.00 C ATOM 1488 CG2 VAL A 89 1.759 -3.525 -12.206 1.00 0.00 C ATOM 0 H VAL A 89 0.285 -6.058 -11.847 1.00 0.00 H new ATOM 0 HA VAL A 89 3.121 -5.794 -12.549 1.00 0.00 H new ATOM 0 HB VAL A 89 1.330 -4.598 -10.387 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.221 -3.052 -9.956 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.684 -4.737 -9.618 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.222 -3.951 -11.121 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.572 -2.547 -11.762 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.573 -3.446 -12.927 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.858 -3.873 -12.712 1.00 0.00 H new ATOM 1498 N ARG A 90 2.148 -7.491 -9.917 1.00 0.00 N ATOM 1499 CA ARG A 90 2.664 -8.412 -8.865 1.00 0.00 C ATOM 1500 C ARG A 90 1.493 -8.972 -8.052 1.00 0.00 C ATOM 1501 O ARG A 90 0.942 -8.306 -7.199 1.00 0.00 O ATOM 1502 CB ARG A 90 3.606 -7.642 -7.937 1.00 0.00 C ATOM 1503 CG ARG A 90 3.949 -8.500 -6.717 1.00 0.00 C ATOM 1504 CD ARG A 90 4.615 -7.626 -5.653 1.00 0.00 C ATOM 1505 NE ARG A 90 3.720 -6.480 -5.324 1.00 0.00 N ATOM 1506 CZ ARG A 90 4.189 -5.451 -4.673 1.00 0.00 C ATOM 1507 NH1 ARG A 90 5.041 -4.648 -5.250 1.00 0.00 N ATOM 1508 NH2 ARG A 90 3.807 -5.226 -3.446 1.00 0.00 N ATOM 0 H ARG A 90 1.132 -7.434 -9.986 1.00 0.00 H new ATOM 0 HA ARG A 90 3.203 -9.235 -9.335 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.517 -7.373 -8.471 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.136 -6.711 -7.618 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.045 -8.957 -6.314 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.616 -9.312 -7.006 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.816 -8.214 -4.757 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.575 -7.260 -6.016 1.00 0.00 H new ATOM 0 HE ARG A 90 2.741 -6.500 -5.608 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.340 -4.825 -6.209 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.408 -3.843 -4.742 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.142 -5.854 -2.996 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.174 -4.422 -2.937 1.00 0.00 H new ATOM 1522 N ALA A 91 1.112 -10.193 -8.310 1.00 0.00 N ATOM 1523 CA ALA A 91 -0.020 -10.799 -7.553 1.00 0.00 C ATOM 1524 C ALA A 91 0.528 -11.626 -6.388 1.00 0.00 C ATOM 1525 O ALA A 91 1.096 -12.683 -6.577 1.00 0.00 O ATOM 1526 CB ALA A 91 -0.827 -11.705 -8.484 1.00 0.00 C ATOM 0 H ALA A 91 1.536 -10.798 -9.013 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.662 -10.008 -7.166 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.655 -12.149 -7.932 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.218 -11.117 -9.314 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.183 -12.495 -8.870 1.00 0.00 H new ATOM 1532 N ASP A 92 0.362 -11.152 -5.183 1.00 0.00 N ATOM 1533 CA ASP A 92 0.872 -11.912 -4.006 1.00 0.00 C ATOM 1534 C ASP A 92 -0.191 -12.909 -3.545 1.00 0.00 C ATOM 1535 O ASP A 92 0.038 -14.101 -3.497 1.00 0.00 O ATOM 1536 CB ASP A 92 1.184 -10.939 -2.868 1.00 0.00 C ATOM 1537 CG ASP A 92 2.610 -11.175 -2.368 1.00 0.00 C ATOM 1538 OD1 ASP A 92 2.898 -12.291 -1.967 1.00 0.00 O ATOM 1539 OD2 ASP A 92 3.389 -10.237 -2.394 1.00 0.00 O ATOM 0 H ASP A 92 -0.104 -10.272 -4.963 1.00 0.00 H new ATOM 0 HA ASP A 92 1.779 -12.449 -4.285 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.075 -9.911 -3.214 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.474 -11.078 -2.052 1.00 0.00 H new ATOM 1544 N GLY A 93 -1.351 -12.426 -3.206 1.00 0.00 N ATOM 1545 CA GLY A 93 -2.438 -13.337 -2.747 1.00 0.00 C ATOM 1546 C GLY A 93 -3.792 -12.659 -2.960 1.00 0.00 C ATOM 1547 O GLY A 93 -4.373 -12.733 -4.024 1.00 0.00 O ATOM 0 H GLY A 93 -1.596 -11.436 -3.226 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.398 -14.276 -3.299 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.303 -13.581 -1.693 1.00 0.00 H new ATOM 1551 N LEU A 94 -4.299 -11.995 -1.958 1.00 0.00 N ATOM 1552 CA LEU A 94 -5.613 -11.310 -2.109 1.00 0.00 C ATOM 1553 C LEU A 94 -5.388 -9.913 -2.689 1.00 0.00 C ATOM 1554 O LEU A 94 -6.228 -9.376 -3.384 1.00 0.00 O ATOM 1555 CB LEU A 94 -6.293 -11.197 -0.743 1.00 0.00 C ATOM 1556 CG LEU A 94 -7.540 -12.082 -0.722 1.00 0.00 C ATOM 1557 CD1 LEU A 94 -7.157 -13.495 -0.280 1.00 0.00 C ATOM 1558 CD2 LEU A 94 -8.561 -11.501 0.258 1.00 0.00 C ATOM 0 H LEU A 94 -3.861 -11.897 -1.042 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.251 -11.885 -2.780 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.604 -11.502 0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.566 -10.160 -0.545 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.975 -12.120 -1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.046 -14.125 -0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.430 -13.910 -0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.722 -13.458 0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.450 -12.131 0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.126 -11.463 1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.835 -10.494 -0.057 1.00 0.00 H new ATOM 1570 N TYR A 95 -4.259 -9.323 -2.412 1.00 0.00 N ATOM 1571 CA TYR A 95 -3.976 -7.964 -2.953 1.00 0.00 C ATOM 1572 C TYR A 95 -2.968 -8.081 -4.097 1.00 0.00 C ATOM 1573 O TYR A 95 -1.950 -8.732 -3.975 1.00 0.00 O ATOM 1574 CB TYR A 95 -3.391 -7.083 -1.848 1.00 0.00 C ATOM 1575 CG TYR A 95 -4.226 -5.834 -1.708 1.00 0.00 C ATOM 1576 CD1 TYR A 95 -4.202 -4.858 -2.714 1.00 0.00 C ATOM 1577 CD2 TYR A 95 -5.027 -5.651 -0.574 1.00 0.00 C ATOM 1578 CE1 TYR A 95 -4.979 -3.700 -2.586 1.00 0.00 C ATOM 1579 CE2 TYR A 95 -5.805 -4.493 -0.444 1.00 0.00 C ATOM 1580 CZ TYR A 95 -5.780 -3.517 -1.451 1.00 0.00 C ATOM 1581 OH TYR A 95 -6.547 -2.376 -1.324 1.00 0.00 O ATOM 0 H TYR A 95 -3.520 -9.723 -1.834 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.900 -7.516 -3.319 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.372 -7.629 -0.905 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.360 -6.820 -2.085 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -3.584 -4.999 -3.588 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.045 -6.403 0.201 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.961 -2.949 -3.362 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.423 -4.352 0.430 1.00 0.00 H new ATOM 0 HH TYR A 95 -7.043 -2.408 -0.479 1.00 0.00 H new ATOM 1591 N VAL A 96 -3.246 -7.464 -5.210 1.00 0.00 N ATOM 1592 CA VAL A 96 -2.300 -7.553 -6.359 1.00 0.00 C ATOM 1593 C VAL A 96 -2.099 -6.169 -6.978 1.00 0.00 C ATOM 1594 O VAL A 96 -2.926 -5.292 -6.842 1.00 0.00 O ATOM 1595 CB VAL A 96 -2.878 -8.500 -7.413 1.00 0.00 C ATOM 1596 CG1 VAL A 96 -1.894 -8.631 -8.578 1.00 0.00 C ATOM 1597 CG2 VAL A 96 -3.117 -9.875 -6.786 1.00 0.00 C ATOM 0 H VAL A 96 -4.083 -6.904 -5.375 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.340 -7.930 -6.007 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.823 -8.101 -7.782 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.306 -9.306 -9.328 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.726 -7.651 -9.024 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.948 -9.030 -8.212 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.529 -10.550 -7.536 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.173 -10.275 -6.416 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.820 -9.780 -5.958 1.00 0.00 H new ATOM 1607 N ASP A 97 -1.009 -5.975 -7.668 1.00 0.00 N ATOM 1608 CA ASP A 97 -0.757 -4.655 -8.313 1.00 0.00 C ATOM 1609 C ASP A 97 -1.127 -4.764 -9.794 1.00 0.00 C ATOM 1610 O ASP A 97 -1.106 -5.836 -10.363 1.00 0.00 O ATOM 1611 CB ASP A 97 0.722 -4.288 -8.174 1.00 0.00 C ATOM 1612 CG ASP A 97 1.035 -3.967 -6.711 1.00 0.00 C ATOM 1613 OD1 ASP A 97 1.184 -4.900 -5.940 1.00 0.00 O ATOM 1614 OD2 ASP A 97 1.122 -2.794 -6.388 1.00 0.00 O ATOM 0 H ASP A 97 -0.281 -6.674 -7.813 1.00 0.00 H new ATOM 0 HA ASP A 97 -1.357 -3.881 -7.834 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.346 -5.113 -8.517 1.00 0.00 H new ATOM 0 HB3 ASP A 97 0.955 -3.429 -8.803 1.00 0.00 H new ATOM 1619 N LEU A 98 -1.483 -3.676 -10.423 1.00 0.00 N ATOM 1620 CA LEU A 98 -1.871 -3.757 -11.862 1.00 0.00 C ATOM 1621 C LEU A 98 -1.256 -2.605 -12.658 1.00 0.00 C ATOM 1622 O LEU A 98 -1.311 -1.452 -12.262 1.00 0.00 O ATOM 1623 CB LEU A 98 -3.396 -3.687 -11.976 1.00 0.00 C ATOM 1624 CG LEU A 98 -3.905 -4.777 -12.926 1.00 0.00 C ATOM 1625 CD1 LEU A 98 -3.488 -4.445 -14.360 1.00 0.00 C ATOM 1626 CD2 LEU A 98 -3.313 -6.130 -12.527 1.00 0.00 C ATOM 0 H LEU A 98 -1.522 -2.745 -10.009 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.502 -4.698 -12.269 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.848 -3.812 -10.992 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.696 -2.705 -12.343 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.992 -4.825 -12.864 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.851 -5.221 -15.033 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.914 -3.485 -14.650 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.401 -4.392 -14.420 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.678 -6.901 -13.205 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.226 -6.082 -12.583 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.613 -6.372 -11.507 1.00 0.00 H new ATOM 1638 N ARG A 99 -0.697 -2.920 -13.797 1.00 0.00 N ATOM 1639 CA ARG A 99 -0.096 -1.874 -14.670 1.00 0.00 C ATOM 1640 C ARG A 99 -0.751 -1.971 -16.050 1.00 0.00 C ATOM 1641 O ARG A 99 -0.569 -2.937 -16.767 1.00 0.00 O ATOM 1642 CB ARG A 99 1.411 -2.114 -14.794 1.00 0.00 C ATOM 1643 CG ARG A 99 1.983 -1.228 -15.902 1.00 0.00 C ATOM 1644 CD ARG A 99 3.415 -1.667 -16.220 1.00 0.00 C ATOM 1645 NE ARG A 99 4.338 -1.145 -15.173 1.00 0.00 N ATOM 1646 CZ ARG A 99 5.619 -1.385 -15.253 1.00 0.00 C ATOM 1647 NH1 ARG A 99 6.095 -2.533 -14.853 1.00 0.00 N ATOM 1648 NH2 ARG A 99 6.426 -0.478 -15.735 1.00 0.00 N ATOM 0 H ARG A 99 -0.632 -3.870 -14.162 1.00 0.00 H new ATOM 0 HA ARG A 99 -0.260 -0.884 -14.245 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.904 -1.893 -13.847 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.605 -3.163 -15.017 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.363 -1.299 -16.796 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.973 -0.184 -15.589 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.473 -2.755 -16.261 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.712 -1.294 -17.200 1.00 0.00 H new ATOM 0 HE ARG A 99 3.969 -0.600 -14.394 1.00 0.00 H new ATOM 0 HH11 ARG A 99 5.466 -3.243 -14.478 1.00 0.00 H new ATOM 0 HH12 ARG A 99 7.096 -2.720 -14.916 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.056 0.419 -16.049 1.00 0.00 H new ATOM 0 HH22 ARG A 99 7.426 -0.667 -15.797 1.00 0.00 H new ATOM 1662 N ARG A 100 -1.529 -0.992 -16.423 1.00 0.00 N ATOM 1663 CA ARG A 100 -2.208 -1.050 -17.749 1.00 0.00 C ATOM 1664 C ARG A 100 -1.393 -0.281 -18.789 1.00 0.00 C ATOM 1665 O ARG A 100 -0.531 0.510 -18.463 1.00 0.00 O ATOM 1666 CB ARG A 100 -3.602 -0.427 -17.633 1.00 0.00 C ATOM 1667 CG ARG A 100 -3.509 0.903 -16.884 1.00 0.00 C ATOM 1668 CD ARG A 100 -4.652 1.818 -17.327 1.00 0.00 C ATOM 1669 NE ARG A 100 -4.440 2.223 -18.745 1.00 0.00 N ATOM 1670 CZ ARG A 100 -3.515 3.094 -19.043 1.00 0.00 C ATOM 1671 NH1 ARG A 100 -3.628 4.330 -18.637 1.00 0.00 N ATOM 1672 NH2 ARG A 100 -2.477 2.731 -19.746 1.00 0.00 N ATOM 0 H ARG A 100 -1.724 -0.158 -15.870 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.294 -2.091 -18.062 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.024 -0.268 -18.625 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.272 -1.106 -17.106 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -3.562 0.732 -15.809 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.549 1.379 -17.084 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -5.607 1.302 -17.223 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -4.695 2.700 -16.688 1.00 0.00 H new ATOM 0 HE ARG A 100 -5.018 1.820 -19.483 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -4.439 4.614 -18.087 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -2.905 5.011 -18.870 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.388 1.766 -20.063 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.755 3.413 -19.978 1.00 0.00 H new ATOM 1686 N PHE A 101 -1.666 -0.508 -20.045 1.00 0.00 N ATOM 1687 CA PHE A 101 -0.918 0.205 -21.117 1.00 0.00 C ATOM 1688 C PHE A 101 -1.848 0.436 -22.310 1.00 0.00 C ATOM 1689 O PHE A 101 -2.844 -0.241 -22.470 1.00 0.00 O ATOM 1690 CB PHE A 101 0.278 -0.642 -21.559 1.00 0.00 C ATOM 1691 CG PHE A 101 1.105 0.135 -22.555 1.00 0.00 C ATOM 1692 CD1 PHE A 101 1.566 1.419 -22.233 1.00 0.00 C ATOM 1693 CD2 PHE A 101 1.411 -0.426 -23.803 1.00 0.00 C ATOM 1694 CE1 PHE A 101 2.333 2.141 -23.157 1.00 0.00 C ATOM 1695 CE2 PHE A 101 2.178 0.296 -24.726 1.00 0.00 C ATOM 1696 CZ PHE A 101 2.639 1.580 -24.404 1.00 0.00 C ATOM 0 H PHE A 101 -2.378 -1.159 -20.375 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.561 1.163 -20.738 1.00 0.00 H new ATOM 0 HB2 PHE A 101 0.887 -0.910 -20.695 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.068 -1.574 -22.006 1.00 0.00 H new ATOM 0 HD1 PHE A 101 1.330 1.852 -21.272 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.055 -1.415 -24.053 1.00 0.00 H new ATOM 0 HE1 PHE A 101 2.688 3.130 -22.908 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.414 -0.137 -25.687 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.230 2.137 -25.117 1.00 0.00 H new ATOM 1706 N PHE A 102 -1.536 1.386 -23.147 1.00 0.00 N ATOM 1707 CA PHE A 102 -2.408 1.656 -24.325 1.00 0.00 C ATOM 1708 C PHE A 102 -1.698 2.620 -25.276 1.00 0.00 C ATOM 1709 O PHE A 102 -1.108 3.572 -24.792 1.00 0.00 O ATOM 1710 CB PHE A 102 -3.722 2.280 -23.851 1.00 0.00 C ATOM 1711 CG PHE A 102 -4.707 2.316 -24.995 1.00 0.00 C ATOM 1712 CD1 PHE A 102 -4.515 3.207 -26.058 1.00 0.00 C ATOM 1713 CD2 PHE A 102 -5.814 1.456 -24.992 1.00 0.00 C ATOM 1714 CE1 PHE A 102 -5.429 3.240 -27.120 1.00 0.00 C ATOM 1715 CE2 PHE A 102 -6.729 1.489 -26.054 1.00 0.00 C ATOM 1716 CZ PHE A 102 -6.536 2.380 -27.117 1.00 0.00 C ATOM 1717 OXT PHE A 102 -1.757 2.390 -26.474 1.00 0.00 O ATOM 0 H PHE A 102 -0.716 1.987 -23.067 1.00 0.00 H new ATOM 0 HA PHE A 102 -2.616 0.722 -24.846 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -4.132 1.703 -23.022 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -3.544 3.289 -23.479 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.662 3.869 -26.060 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -5.962 0.769 -24.172 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -5.281 3.927 -27.940 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -7.583 0.827 -26.052 1.00 0.00 H new ATOM 0 HZ PHE A 102 -7.241 2.405 -27.935 1.00 0.00 H new TER 1727 PHE A 102