USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 932 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 HIS :FLIP no HD1:sc= -1.77 F(o=-3.4!,f=-2.2) USER MOD Set 1.2: A 72 SER OG : rot -176:sc= -0.441 USER MOD Set 2.1: A 36 THR OG1 : rot 180:sc= -0.509 USER MOD Set 2.2: A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 HIS :FLIP no HD1:sc= -1.07 F(o=-2.6!,f=-1.1) USER MOD Single : A 1 HIS N :NH3+ 148:sc= 0.016 (180deg=-0.862) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= -7.28! C(o=-7.3!,f=-7.7!) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.363 F(o=-1.1,f=-0.36) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -167:sc= -1.63 (180deg=-2.09!) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0577 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -1.81 K(o=-1.8,f=-8.1!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 92:sc= -0.918! USER MOD Single : A 57 LYS NZ :NH3+ -114:sc=-0.00096 (180deg=-0.136) USER MOD Single : A 59 ASN : amide:sc= -0.0695 K(o=-0.069,f=-0.68) USER MOD Single : A 65 THR OG1 : rot 75:sc= -2.27! USER MOD Single : A 68 SER OG : rot -110:sc= -2.64! USER MOD Single : A 70 CYS SG : rot 180:sc= -0.914! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot -60:sc= 0.055 USER MOD Single : A 86 GLN : amide:sc= -1.35! C(o=-1.4!,f=-4.9!) USER MOD Single : A 87 MET CE :methyl 146:sc= -10.4! (180deg=-10.9!) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 112:sc= 1.1 USER MOD Single : A 96 TYR OH : rot 15:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 150:sc= -0.389 USER MOD Single : A 109 THR OG1 : rot 57:sc= -1.71! USER MOD Single : A 111 SER OG : rot -171:sc= 0.805 USER MOD Single : A 114 HIS : no HD1:sc= -15.1! C(o=-15!,f=-17!) USER MOD Single : A 117 LYS NZ :NH3+ 157:sc= 0.392 (180deg=-0.126) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.103 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 28.116 13.350 0.138 1.00 0.00 N ATOM 2 CA HIS A 1 27.485 12.546 -0.949 1.00 0.00 C ATOM 3 C HIS A 1 26.692 11.383 -0.352 1.00 0.00 C ATOM 4 O HIS A 1 26.548 11.270 0.849 1.00 0.00 O ATOM 5 CB HIS A 1 28.653 12.022 -1.784 1.00 0.00 C ATOM 6 CG HIS A 1 29.612 11.279 -0.895 1.00 0.00 C ATOM 7 ND1 HIS A 1 29.412 10.430 0.167 1.00 0.00 N flip ATOM 8 CD2 HIS A 1 30.987 11.364 -1.055 1.00 0.00 C flip ATOM 9 CE1 HIS A 1 30.640 9.996 0.658 1.00 0.00 C flip ATOM 10 NE2 HIS A 1 31.555 10.587 -0.114 1.00 0.00 N flip ATOM 0 H1 HIS A 1 29.016 13.746 -0.201 1.00 0.00 H new ATOM 0 H2 HIS A 1 27.478 14.125 0.412 1.00 0.00 H new ATOM 0 H3 HIS A 1 28.294 12.741 0.962 1.00 0.00 H new ATOM 0 HA HIS A 1 26.788 13.135 -1.546 1.00 0.00 H new ATOM 0 HB2 HIS A 1 28.285 11.363 -2.570 1.00 0.00 H new ATOM 0 HB3 HIS A 1 29.163 12.851 -2.275 1.00 0.00 H new ATOM 0 HD2 HIS A 1 31.508 11.948 -1.800 1.00 0.00 H new ATOM 0 HE1 HIS A 1 30.815 9.325 1.486 1.00 0.00 H new ATOM 0 HE2 HIS A 1 32.562 10.465 -0.004 1.00 0.00 H new ATOM 18 N MET A 2 26.179 10.514 -1.180 1.00 0.00 N ATOM 19 CA MET A 2 25.400 9.357 -0.655 1.00 0.00 C ATOM 20 C MET A 2 26.345 8.202 -0.312 1.00 0.00 C ATOM 21 O MET A 2 27.155 7.789 -1.117 1.00 0.00 O ATOM 22 CB MET A 2 24.452 8.966 -1.792 1.00 0.00 C ATOM 23 CG MET A 2 25.233 8.241 -2.892 1.00 0.00 C ATOM 24 SD MET A 2 24.115 7.834 -4.256 1.00 0.00 S ATOM 25 CE MET A 2 23.743 6.139 -3.744 1.00 0.00 C ATOM 0 H MET A 2 26.265 10.555 -2.195 1.00 0.00 H new ATOM 0 HA MET A 2 24.855 9.601 0.257 1.00 0.00 H new ATOM 0 HB2 MET A 2 23.659 8.322 -1.412 1.00 0.00 H new ATOM 0 HB3 MET A 2 23.972 9.856 -2.200 1.00 0.00 H new ATOM 0 HG2 MET A 2 26.047 8.871 -3.250 1.00 0.00 H new ATOM 0 HG3 MET A 2 25.684 7.332 -2.494 1.00 0.00 H new ATOM 0 HE1 MET A 2 23.055 5.686 -4.458 1.00 0.00 H new ATOM 0 HE2 MET A 2 24.665 5.559 -3.710 1.00 0.00 H new ATOM 0 HE3 MET A 2 23.285 6.150 -2.755 1.00 0.00 H new ATOM 35 N ALA A 3 26.250 7.680 0.881 1.00 0.00 N ATOM 36 CA ALA A 3 27.144 6.553 1.277 1.00 0.00 C ATOM 37 C ALA A 3 26.487 5.719 2.379 1.00 0.00 C ATOM 38 O ALA A 3 26.222 6.203 3.462 1.00 0.00 O ATOM 39 CB ALA A 3 28.416 7.220 1.798 1.00 0.00 C ATOM 0 H ALA A 3 25.592 7.985 1.599 1.00 0.00 H new ATOM 0 HA ALA A 3 27.349 5.878 0.446 1.00 0.00 H new ATOM 0 HB1 ALA A 3 29.126 6.455 2.110 1.00 0.00 H new ATOM 0 HB2 ALA A 3 28.859 7.826 1.008 1.00 0.00 H new ATOM 0 HB3 ALA A 3 28.171 7.856 2.648 1.00 0.00 H new ATOM 45 N SER A 4 26.220 4.470 2.113 1.00 0.00 N ATOM 46 CA SER A 4 25.578 3.608 3.147 1.00 0.00 C ATOM 47 C SER A 4 24.263 4.240 3.615 1.00 0.00 C ATOM 48 O SER A 4 23.202 3.929 3.110 1.00 0.00 O ATOM 49 CB SER A 4 26.584 3.547 4.296 1.00 0.00 C ATOM 50 OG SER A 4 27.760 2.880 3.856 1.00 0.00 O ATOM 0 H SER A 4 26.418 4.009 1.225 1.00 0.00 H new ATOM 0 HA SER A 4 25.337 2.615 2.767 1.00 0.00 H new ATOM 0 HB2 SER A 4 26.828 4.554 4.635 1.00 0.00 H new ATOM 0 HB3 SER A 4 26.150 3.021 5.147 1.00 0.00 H new ATOM 0 HG SER A 4 28.408 2.841 4.590 1.00 0.00 H new ATOM 56 N ARG A 5 24.326 5.126 4.573 1.00 0.00 N ATOM 57 CA ARG A 5 23.081 5.780 5.070 1.00 0.00 C ATOM 58 C ARG A 5 21.957 4.751 5.200 1.00 0.00 C ATOM 59 O ARG A 5 22.198 3.564 5.303 1.00 0.00 O ATOM 60 CB ARG A 5 22.730 6.822 4.008 1.00 0.00 C ATOM 61 CG ARG A 5 22.822 8.223 4.614 1.00 0.00 C ATOM 62 CD ARG A 5 23.622 9.133 3.680 1.00 0.00 C ATOM 63 NE ARG A 5 24.065 10.267 4.538 1.00 0.00 N ATOM 64 CZ ARG A 5 23.236 11.234 4.822 1.00 0.00 C ATOM 65 NH1 ARG A 5 23.132 12.257 4.020 1.00 0.00 N ATOM 66 NH2 ARG A 5 22.513 11.176 5.908 1.00 0.00 N ATOM 0 H ARG A 5 25.186 5.425 5.033 1.00 0.00 H new ATOM 0 HA ARG A 5 23.217 6.228 6.054 1.00 0.00 H new ATOM 0 HB2 ARG A 5 23.410 6.736 3.161 1.00 0.00 H new ATOM 0 HB3 ARG A 5 21.724 6.644 3.628 1.00 0.00 H new ATOM 0 HG2 ARG A 5 21.823 8.630 4.768 1.00 0.00 H new ATOM 0 HG3 ARG A 5 23.301 8.177 5.592 1.00 0.00 H new ATOM 0 HD2 ARG A 5 24.474 8.607 3.250 1.00 0.00 H new ATOM 0 HD3 ARG A 5 23.010 9.482 2.848 1.00 0.00 H new ATOM 0 HE ARG A 5 25.017 10.288 4.904 1.00 0.00 H new ATOM 0 HH11 ARG A 5 23.698 12.300 3.173 1.00 0.00 H new ATOM 0 HH12 ARG A 5 22.485 13.014 4.240 1.00 0.00 H new ATOM 0 HH21 ARG A 5 22.596 10.375 6.534 1.00 0.00 H new ATOM 0 HH22 ARG A 5 21.865 11.932 6.130 1.00 0.00 H new ATOM 80 N ASP A 6 20.731 5.195 5.197 1.00 0.00 N ATOM 81 CA ASP A 6 19.596 4.241 5.319 1.00 0.00 C ATOM 82 C ASP A 6 18.456 4.647 4.375 1.00 0.00 C ATOM 83 O ASP A 6 18.429 4.261 3.224 1.00 0.00 O ATOM 84 CB ASP A 6 19.154 4.341 6.780 1.00 0.00 C ATOM 85 CG ASP A 6 19.755 3.182 7.579 1.00 0.00 C ATOM 86 OD1 ASP A 6 20.423 2.357 6.978 1.00 0.00 O ATOM 87 OD2 ASP A 6 19.537 3.141 8.779 1.00 0.00 O ATOM 0 H ASP A 6 20.467 6.177 5.115 1.00 0.00 H new ATOM 0 HA ASP A 6 19.878 3.223 5.049 1.00 0.00 H new ATOM 0 HB2 ASP A 6 19.475 5.293 7.203 1.00 0.00 H new ATOM 0 HB3 ASP A 6 18.066 4.315 6.844 1.00 0.00 H new ATOM 92 N GLN A 7 17.519 5.424 4.854 1.00 0.00 N ATOM 93 CA GLN A 7 16.380 5.853 3.988 1.00 0.00 C ATOM 94 C GLN A 7 15.711 4.634 3.347 1.00 0.00 C ATOM 95 O GLN A 7 16.245 3.543 3.358 1.00 0.00 O ATOM 96 CB GLN A 7 16.999 6.749 2.917 1.00 0.00 C ATOM 97 CG GLN A 7 15.944 7.738 2.420 1.00 0.00 C ATOM 98 CD GLN A 7 16.550 8.637 1.341 1.00 0.00 C ATOM 99 OE1 GLN A 7 16.751 8.210 0.221 1.00 0.00 O ATOM 100 NE2 GLN A 7 16.851 9.872 1.632 1.00 0.00 N ATOM 0 H GLN A 7 17.493 5.781 5.809 1.00 0.00 H new ATOM 0 HA GLN A 7 15.611 6.376 4.556 1.00 0.00 H new ATOM 0 HB2 GLN A 7 17.855 7.286 3.325 1.00 0.00 H new ATOM 0 HB3 GLN A 7 17.368 6.145 2.088 1.00 0.00 H new ATOM 0 HG2 GLN A 7 15.086 7.199 2.018 1.00 0.00 H new ATOM 0 HG3 GLN A 7 15.580 8.344 3.250 1.00 0.00 H new ATOM 0 HE21 GLN A 7 16.682 10.230 2.572 1.00 0.00 H new ATOM 0 HE22 GLN A 7 17.255 10.480 0.920 1.00 0.00 H new ATOM 109 N VAL A 8 14.541 4.804 2.794 1.00 0.00 N ATOM 110 CA VAL A 8 13.853 3.638 2.165 1.00 0.00 C ATOM 111 C VAL A 8 12.881 4.092 1.068 1.00 0.00 C ATOM 112 O VAL A 8 11.756 4.465 1.340 1.00 0.00 O ATOM 113 CB VAL A 8 13.095 2.958 3.314 1.00 0.00 C ATOM 114 CG1 VAL A 8 12.463 4.018 4.220 1.00 0.00 C ATOM 115 CG2 VAL A 8 11.989 2.064 2.747 1.00 0.00 C ATOM 0 H VAL A 8 14.035 5.689 2.750 1.00 0.00 H new ATOM 0 HA VAL A 8 14.561 2.964 1.682 1.00 0.00 H new ATOM 0 HB VAL A 8 13.797 2.355 3.890 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.927 3.529 5.033 1.00 0.00 H new ATOM 0 HG12 VAL A 8 13.244 4.656 4.633 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.768 4.625 3.640 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.454 1.584 3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.294 2.670 2.165 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.431 1.301 2.105 1.00 0.00 H new ATOM 125 N LYS A 9 13.293 4.034 -0.173 1.00 0.00 N ATOM 126 CA LYS A 9 12.370 4.431 -1.278 1.00 0.00 C ATOM 127 C LYS A 9 11.334 3.324 -1.476 1.00 0.00 C ATOM 128 O LYS A 9 11.507 2.221 -0.997 1.00 0.00 O ATOM 129 CB LYS A 9 13.239 4.549 -2.528 1.00 0.00 C ATOM 130 CG LYS A 9 14.167 5.754 -2.420 1.00 0.00 C ATOM 131 CD LYS A 9 14.269 6.427 -3.792 1.00 0.00 C ATOM 132 CE LYS A 9 15.146 7.676 -3.693 1.00 0.00 C ATOM 133 NZ LYS A 9 16.522 7.205 -4.016 1.00 0.00 N ATOM 0 H LYS A 9 14.222 3.731 -0.467 1.00 0.00 H new ATOM 0 HA LYS A 9 11.849 5.364 -1.065 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.827 3.640 -2.657 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.606 4.647 -3.410 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.785 6.459 -1.682 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.154 5.440 -2.080 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.691 5.732 -4.518 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.275 6.697 -4.150 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.818 8.446 -4.392 1.00 0.00 H new ATOM 0 HE3 LYS A 9 15.102 8.112 -2.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 17.183 8.006 -3.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 16.810 6.478 -3.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 16.535 6.801 -4.974 1.00 0.00 H new ATOM 147 N ALA A 10 10.266 3.586 -2.184 1.00 0.00 N ATOM 148 CA ALA A 10 9.252 2.499 -2.395 1.00 0.00 C ATOM 149 C ALA A 10 7.956 3.027 -3.012 1.00 0.00 C ATOM 150 O ALA A 10 7.686 4.212 -3.027 1.00 0.00 O ATOM 151 CB ALA A 10 8.958 1.942 -1.000 1.00 0.00 C ATOM 0 H ALA A 10 10.051 4.483 -2.618 1.00 0.00 H new ATOM 0 HA ALA A 10 9.639 1.749 -3.085 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.223 1.141 -1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.877 1.551 -0.563 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.565 2.737 -0.366 1.00 0.00 H new ATOM 157 N SER A 11 7.141 2.125 -3.494 1.00 0.00 N ATOM 158 CA SER A 11 5.831 2.508 -4.091 1.00 0.00 C ATOM 159 C SER A 11 4.726 1.781 -3.327 1.00 0.00 C ATOM 160 O SER A 11 5.009 1.018 -2.425 1.00 0.00 O ATOM 161 CB SER A 11 5.893 2.022 -5.539 1.00 0.00 C ATOM 162 OG SER A 11 5.828 0.603 -5.560 1.00 0.00 O ATOM 0 H SER A 11 7.333 1.123 -3.498 1.00 0.00 H new ATOM 0 HA SER A 11 5.631 3.578 -4.044 1.00 0.00 H new ATOM 0 HB2 SER A 11 5.068 2.444 -6.112 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.815 2.363 -6.010 1.00 0.00 H new ATOM 0 HG SER A 11 5.866 0.287 -6.487 1.00 0.00 H new ATOM 168 N HIS A 12 3.475 1.981 -3.658 1.00 0.00 N ATOM 169 CA HIS A 12 2.427 1.245 -2.885 1.00 0.00 C ATOM 170 C HIS A 12 1.005 1.493 -3.408 1.00 0.00 C ATOM 171 O HIS A 12 0.765 2.324 -4.261 1.00 0.00 O ATOM 172 CB HIS A 12 2.561 1.767 -1.446 1.00 0.00 C ATOM 173 CG HIS A 12 1.810 3.064 -1.291 1.00 0.00 C ATOM 174 ND1 HIS A 12 1.739 4.183 -2.083 1.00 0.00 N flip ATOM 175 CD2 HIS A 12 0.993 3.318 -0.201 1.00 0.00 C flip ATOM 176 CE1 HIS A 12 0.892 5.119 -1.496 1.00 0.00 C flip ATOM 177 NE2 HIS A 12 0.469 4.547 -0.365 1.00 0.00 N flip ATOM 0 H HIS A 12 3.142 2.597 -4.400 1.00 0.00 H new ATOM 0 HA HIS A 12 2.577 0.169 -2.971 1.00 0.00 H new ATOM 0 HB2 HIS A 12 2.173 1.028 -0.746 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.613 1.916 -1.202 1.00 0.00 H new ATOM 0 HD2 HIS A 12 0.810 2.651 0.629 1.00 0.00 H new ATOM 0 HE1 HIS A 12 0.633 6.097 -1.874 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -0.173 4.988 0.294 1.00 0.00 H new ATOM 185 N ILE A 13 0.063 0.770 -2.855 1.00 0.00 N ATOM 186 CA ILE A 13 -1.370 0.922 -3.243 1.00 0.00 C ATOM 187 C ILE A 13 -2.242 0.667 -2.002 1.00 0.00 C ATOM 188 O ILE A 13 -1.745 0.287 -0.961 1.00 0.00 O ATOM 189 CB ILE A 13 -1.622 -0.148 -4.313 1.00 0.00 C ATOM 190 CG1 ILE A 13 -0.980 0.285 -5.639 1.00 0.00 C ATOM 191 CG2 ILE A 13 -3.129 -0.323 -4.511 1.00 0.00 C ATOM 192 CD1 ILE A 13 -1.582 -0.525 -6.796 1.00 0.00 C ATOM 0 H ILE A 13 0.233 0.067 -2.136 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.606 1.916 -3.623 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.183 -1.092 -3.991 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.146 1.350 -5.803 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.099 0.133 -5.599 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.310 -1.083 -5.271 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.586 -0.633 -3.571 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.566 0.623 -4.832 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.124 -0.214 -7.735 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.394 -1.586 -6.634 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.657 -0.350 -6.842 1.00 0.00 H new ATOM 204 N LEU A 14 -3.529 0.867 -2.094 1.00 0.00 N ATOM 205 CA LEU A 14 -4.406 0.626 -0.908 1.00 0.00 C ATOM 206 C LEU A 14 -5.735 0.011 -1.350 1.00 0.00 C ATOM 207 O LEU A 14 -6.418 0.538 -2.204 1.00 0.00 O ATOM 208 CB LEU A 14 -4.639 2.010 -0.291 1.00 0.00 C ATOM 209 CG LEU A 14 -5.780 1.941 0.733 1.00 0.00 C ATOM 210 CD1 LEU A 14 -5.199 2.007 2.146 1.00 0.00 C ATOM 211 CD2 LEU A 14 -6.737 3.119 0.514 1.00 0.00 C ATOM 0 H LEU A 14 -4.011 1.185 -2.935 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.953 -0.065 -0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.727 2.361 0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.883 2.730 -1.072 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.325 1.006 0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.008 1.958 2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.521 1.168 2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.653 2.942 2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.547 3.070 1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.195 4.056 0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.150 3.070 -0.493 1.00 0.00 H new ATOM 223 N ILE A 15 -6.117 -1.090 -0.762 1.00 0.00 N ATOM 224 CA ILE A 15 -7.412 -1.719 -1.142 1.00 0.00 C ATOM 225 C ILE A 15 -8.546 -1.106 -0.309 1.00 0.00 C ATOM 226 O ILE A 15 -8.928 0.028 -0.520 1.00 0.00 O ATOM 227 CB ILE A 15 -7.245 -3.209 -0.836 1.00 0.00 C ATOM 228 CG1 ILE A 15 -6.056 -3.763 -1.626 1.00 0.00 C ATOM 229 CG2 ILE A 15 -8.517 -3.954 -1.243 1.00 0.00 C ATOM 230 CD1 ILE A 15 -5.975 -5.279 -1.434 1.00 0.00 C ATOM 0 H ILE A 15 -5.590 -1.579 -0.038 1.00 0.00 H new ATOM 0 HA ILE A 15 -7.664 -1.559 -2.190 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.066 -3.345 0.231 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.167 -3.526 -2.684 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.132 -3.294 -1.289 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.402 -5.016 -1.026 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.365 -3.559 -0.683 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.692 -3.818 -2.310 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.128 -5.672 -1.997 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.844 -5.505 -0.376 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.895 -5.741 -1.793 1.00 0.00 H new ATOM 242 N LYS A 16 -9.083 -1.832 0.638 1.00 0.00 N ATOM 243 CA LYS A 16 -10.183 -1.266 1.473 1.00 0.00 C ATOM 244 C LYS A 16 -10.621 -2.281 2.532 1.00 0.00 C ATOM 245 O LYS A 16 -10.503 -3.475 2.345 1.00 0.00 O ATOM 246 CB LYS A 16 -11.326 -0.991 0.494 1.00 0.00 C ATOM 247 CG LYS A 16 -11.987 -2.311 0.091 1.00 0.00 C ATOM 248 CD LYS A 16 -12.584 -2.174 -1.311 1.00 0.00 C ATOM 249 CE LYS A 16 -12.685 -3.558 -1.958 1.00 0.00 C ATOM 250 NZ LYS A 16 -12.384 -3.341 -3.403 1.00 0.00 N ATOM 0 H LYS A 16 -8.809 -2.787 0.868 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.874 -0.365 2.003 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.061 -0.330 0.954 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.946 -0.479 -0.390 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.254 -3.118 0.109 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -12.767 -2.573 0.806 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.570 -1.714 -1.255 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.961 -1.520 -1.921 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.977 -4.254 -1.509 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.679 -3.983 -1.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.435 -4.249 -3.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.078 -2.680 -3.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.428 -2.943 -3.503 1.00 0.00 H new ATOM 264 N HIS A 17 -11.131 -1.816 3.640 1.00 0.00 N ATOM 265 CA HIS A 17 -11.580 -2.757 4.704 1.00 0.00 C ATOM 266 C HIS A 17 -12.191 -1.984 5.876 1.00 0.00 C ATOM 267 O HIS A 17 -12.879 -1.000 5.691 1.00 0.00 O ATOM 268 CB HIS A 17 -10.316 -3.500 5.141 1.00 0.00 C ATOM 269 CG HIS A 17 -9.410 -2.568 5.893 1.00 0.00 C ATOM 270 ND1 HIS A 17 -9.567 -1.192 5.861 1.00 0.00 N ATOM 271 CD2 HIS A 17 -8.320 -2.803 6.692 1.00 0.00 C ATOM 272 CE1 HIS A 17 -8.594 -0.655 6.620 1.00 0.00 C ATOM 273 NE2 HIS A 17 -7.806 -1.594 7.151 1.00 0.00 N ATOM 0 H HIS A 17 -11.256 -0.826 3.854 1.00 0.00 H new ATOM 0 HA HIS A 17 -12.348 -3.444 4.349 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -10.582 -4.349 5.770 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -9.798 -3.899 4.269 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.921 -3.778 6.929 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.466 0.405 6.780 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -7.001 -1.455 7.762 1.00 0.00 H new ATOM 281 N GLN A 18 -11.952 -2.425 7.081 1.00 0.00 N ATOM 282 CA GLN A 18 -12.528 -1.718 8.262 1.00 0.00 C ATOM 283 C GLN A 18 -11.459 -0.870 8.958 1.00 0.00 C ATOM 284 O GLN A 18 -11.037 -1.168 10.058 1.00 0.00 O ATOM 285 CB GLN A 18 -13.011 -2.833 9.190 1.00 0.00 C ATOM 286 CG GLN A 18 -14.043 -3.696 8.462 1.00 0.00 C ATOM 287 CD GLN A 18 -14.497 -4.832 9.381 1.00 0.00 C ATOM 288 OE1 GLN A 18 -13.602 -5.607 9.930 1.00 0.00 O flip ATOM 289 NE2 GLN A 18 -15.678 -5.017 9.601 1.00 0.00 N flip ATOM 0 H GLN A 18 -11.384 -3.243 7.299 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.332 -1.038 7.980 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -12.168 -3.447 9.507 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.451 -2.405 10.091 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.898 -3.088 8.168 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.612 -4.104 7.548 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -16.378 -4.411 9.172 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -15.969 -5.778 10.215 1.00 0.00 H new ATOM 298 N GLY A 19 -11.023 0.188 8.331 1.00 0.00 N ATOM 299 CA GLY A 19 -9.989 1.055 8.965 1.00 0.00 C ATOM 300 C GLY A 19 -10.623 2.385 9.372 1.00 0.00 C ATOM 301 O GLY A 19 -11.644 2.420 10.030 1.00 0.00 O ATOM 0 H GLY A 19 -11.337 0.490 7.409 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.567 0.558 9.839 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.168 1.229 8.270 1.00 0.00 H new ATOM 305 N SER A 20 -10.031 3.481 8.985 1.00 0.00 N ATOM 306 CA SER A 20 -10.607 4.808 9.352 1.00 0.00 C ATOM 307 C SER A 20 -10.858 5.641 8.092 1.00 0.00 C ATOM 308 O SER A 20 -10.731 5.161 6.984 1.00 0.00 O ATOM 309 CB SER A 20 -9.546 5.473 10.226 1.00 0.00 C ATOM 310 OG SER A 20 -9.469 4.795 11.473 1.00 0.00 O ATOM 0 H SER A 20 -9.175 3.517 8.432 1.00 0.00 H new ATOM 0 HA SER A 20 -11.562 4.714 9.869 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.578 5.447 9.725 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.795 6.522 10.385 1.00 0.00 H new ATOM 0 HG SER A 20 -8.787 5.219 12.035 1.00 0.00 H new ATOM 316 N ARG A 21 -11.210 6.888 8.255 1.00 0.00 N ATOM 317 CA ARG A 21 -11.464 7.751 7.067 1.00 0.00 C ATOM 318 C ARG A 21 -12.668 7.228 6.278 1.00 0.00 C ATOM 319 O ARG A 21 -13.371 6.338 6.715 1.00 0.00 O ATOM 320 CB ARG A 21 -10.186 7.654 6.232 1.00 0.00 C ATOM 321 CG ARG A 21 -9.778 9.049 5.752 1.00 0.00 C ATOM 322 CD ARG A 21 -8.649 8.926 4.725 1.00 0.00 C ATOM 323 NE ARG A 21 -8.808 10.109 3.834 1.00 0.00 N ATOM 324 CZ ARG A 21 -7.782 10.871 3.569 1.00 0.00 C ATOM 325 NH1 ARG A 21 -6.574 10.379 3.614 1.00 0.00 N ATOM 326 NH2 ARG A 21 -7.963 12.126 3.261 1.00 0.00 N ATOM 0 H ARG A 21 -11.332 7.345 9.158 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.694 8.780 7.343 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.385 7.214 6.825 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.347 6.997 5.377 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.634 9.557 5.308 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -9.451 9.655 6.597 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.673 8.925 5.210 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.726 7.995 4.163 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.720 10.324 3.430 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.431 9.399 3.856 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.773 10.975 3.407 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.907 12.512 3.227 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.161 12.721 3.054 1.00 0.00 H new ATOM 340 N ARG A 22 -12.910 7.773 5.118 1.00 0.00 N ATOM 341 CA ARG A 22 -14.067 7.307 4.300 1.00 0.00 C ATOM 342 C ARG A 22 -13.604 6.973 2.881 1.00 0.00 C ATOM 343 O ARG A 22 -12.887 7.730 2.256 1.00 0.00 O ATOM 344 CB ARG A 22 -15.045 8.484 4.285 1.00 0.00 C ATOM 345 CG ARG A 22 -16.087 8.294 5.389 1.00 0.00 C ATOM 346 CD ARG A 22 -16.845 9.606 5.612 1.00 0.00 C ATOM 347 NE ARG A 22 -17.128 9.640 7.074 1.00 0.00 N ATOM 348 CZ ARG A 22 -17.784 8.660 7.634 1.00 0.00 C ATOM 349 NH1 ARG A 22 -19.072 8.548 7.452 1.00 0.00 N ATOM 350 NH2 ARG A 22 -17.151 7.790 8.376 1.00 0.00 N ATOM 0 H ARG A 22 -12.357 8.521 4.700 1.00 0.00 H new ATOM 0 HA ARG A 22 -14.526 6.406 4.706 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.507 9.420 4.435 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -15.536 8.551 3.314 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -16.784 7.502 5.113 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -15.600 7.982 6.313 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.248 10.465 5.305 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -17.766 9.634 5.030 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.809 10.428 7.637 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -19.566 9.226 6.872 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -19.584 7.782 7.890 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.145 7.877 8.517 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.663 7.024 8.814 1.00 0.00 H new ATOM 364 N LYS A 23 -14.004 5.844 2.367 1.00 0.00 N ATOM 365 CA LYS A 23 -13.584 5.462 0.989 1.00 0.00 C ATOM 366 C LYS A 23 -14.684 5.814 -0.015 1.00 0.00 C ATOM 367 O LYS A 23 -15.710 6.360 0.340 1.00 0.00 O ATOM 368 CB LYS A 23 -13.374 3.950 1.044 1.00 0.00 C ATOM 369 CG LYS A 23 -14.731 3.252 1.149 1.00 0.00 C ATOM 370 CD LYS A 23 -14.523 1.738 1.206 1.00 0.00 C ATOM 371 CE LYS A 23 -15.791 1.031 0.723 1.00 0.00 C ATOM 372 NZ LYS A 23 -15.416 -0.407 0.621 1.00 0.00 N ATOM 0 H LYS A 23 -14.604 5.169 2.841 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.683 5.987 0.671 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.847 3.612 0.152 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.751 3.689 1.900 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -15.258 3.591 2.041 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -15.353 3.512 0.293 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.675 1.453 0.583 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.288 1.430 2.225 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.614 1.175 1.423 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.119 1.423 -0.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.150 -0.921 0.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.507 -0.494 0.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.329 -0.811 1.575 1.00 0.00 H new ATOM 386 N ALA A 24 -14.481 5.503 -1.265 1.00 0.00 N ATOM 387 CA ALA A 24 -15.517 5.818 -2.290 1.00 0.00 C ATOM 388 C ALA A 24 -15.874 7.305 -2.245 1.00 0.00 C ATOM 389 O ALA A 24 -16.960 7.703 -2.612 1.00 0.00 O ATOM 390 CB ALA A 24 -16.726 4.964 -1.906 1.00 0.00 C ATOM 0 H ALA A 24 -13.643 5.044 -1.622 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.173 5.607 -3.302 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.535 5.139 -2.615 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -16.448 3.910 -1.926 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -17.058 5.233 -0.903 1.00 0.00 H new ATOM 396 N SER A 25 -14.966 8.131 -1.799 1.00 0.00 N ATOM 397 CA SER A 25 -15.257 9.592 -1.734 1.00 0.00 C ATOM 398 C SER A 25 -15.555 10.134 -3.134 1.00 0.00 C ATOM 399 O SER A 25 -16.215 9.495 -3.929 1.00 0.00 O ATOM 400 CB SER A 25 -13.982 10.223 -1.174 1.00 0.00 C ATOM 401 OG SER A 25 -14.284 11.503 -0.626 1.00 0.00 O ATOM 0 H SER A 25 -14.037 7.858 -1.478 1.00 0.00 H new ATOM 0 HA SER A 25 -16.127 9.814 -1.117 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.552 9.579 -0.406 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.236 10.320 -1.962 1.00 0.00 H new ATOM 0 HG SER A 25 -13.466 11.906 -0.266 1.00 0.00 H new ATOM 407 N TRP A 26 -15.075 11.307 -3.443 1.00 0.00 N ATOM 408 CA TRP A 26 -15.333 11.883 -4.792 1.00 0.00 C ATOM 409 C TRP A 26 -16.837 12.071 -5.007 1.00 0.00 C ATOM 410 O TRP A 26 -17.421 11.501 -5.907 1.00 0.00 O ATOM 411 CB TRP A 26 -14.776 10.853 -5.775 1.00 0.00 C ATOM 412 CG TRP A 26 -13.506 11.365 -6.372 1.00 0.00 C ATOM 413 CD1 TRP A 26 -12.322 10.712 -6.357 1.00 0.00 C ATOM 414 CD2 TRP A 26 -13.273 12.621 -7.071 1.00 0.00 C ATOM 415 NE1 TRP A 26 -11.376 11.489 -7.002 1.00 0.00 N ATOM 416 CE2 TRP A 26 -11.913 12.675 -7.460 1.00 0.00 C ATOM 417 CE3 TRP A 26 -14.100 13.710 -7.400 1.00 0.00 C ATOM 418 CZ2 TRP A 26 -11.394 13.769 -8.154 1.00 0.00 C ATOM 419 CZ3 TRP A 26 -13.581 14.812 -8.099 1.00 0.00 C ATOM 420 CH2 TRP A 26 -12.231 14.842 -8.473 1.00 0.00 C ATOM 0 H TRP A 26 -14.516 11.891 -2.820 1.00 0.00 H new ATOM 0 HA TRP A 26 -14.869 12.861 -4.920 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -14.594 9.908 -5.263 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -15.505 10.654 -6.561 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -12.144 9.743 -5.914 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -10.400 11.218 -7.124 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -15.141 13.699 -7.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -10.353 13.786 -8.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -14.226 15.641 -8.350 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -11.837 15.694 -9.008 1.00 0.00 H new ATOM 431 N LYS A 27 -17.470 12.866 -4.186 1.00 0.00 N ATOM 432 CA LYS A 27 -18.936 13.086 -4.347 1.00 0.00 C ATOM 433 C LYS A 27 -19.659 11.742 -4.463 1.00 0.00 C ATOM 434 O LYS A 27 -20.166 11.386 -5.509 1.00 0.00 O ATOM 435 CB LYS A 27 -19.074 13.889 -5.641 1.00 0.00 C ATOM 436 CG LYS A 27 -18.038 15.016 -5.654 1.00 0.00 C ATOM 437 CD LYS A 27 -18.252 15.893 -6.889 1.00 0.00 C ATOM 438 CE LYS A 27 -16.928 16.550 -7.286 1.00 0.00 C ATOM 439 NZ LYS A 27 -17.309 17.881 -7.839 1.00 0.00 N ATOM 0 H LYS A 27 -17.036 13.371 -3.413 1.00 0.00 H new ATOM 0 HA LYS A 27 -19.375 13.609 -3.497 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -18.930 13.238 -6.503 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -20.079 14.303 -5.719 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -18.127 15.617 -4.749 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -17.031 14.598 -5.662 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -18.633 15.291 -7.714 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -19.001 16.657 -6.680 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -16.266 16.654 -6.427 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -16.397 15.952 -8.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.453 18.392 -8.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -17.934 17.750 -8.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -17.807 18.430 -7.110 1.00 0.00 H new ATOM 453 N ASP A 28 -19.705 10.992 -3.395 1.00 0.00 N ATOM 454 CA ASP A 28 -20.390 9.667 -3.438 1.00 0.00 C ATOM 455 C ASP A 28 -21.267 9.483 -2.196 1.00 0.00 C ATOM 456 O ASP A 28 -20.965 10.002 -1.139 1.00 0.00 O ATOM 457 CB ASP A 28 -19.258 8.640 -3.447 1.00 0.00 C ATOM 458 CG ASP A 28 -19.250 7.902 -4.786 1.00 0.00 C ATOM 459 OD1 ASP A 28 -19.220 8.568 -5.807 1.00 0.00 O ATOM 460 OD2 ASP A 28 -19.274 6.681 -4.769 1.00 0.00 O ATOM 0 H ASP A 28 -19.297 11.240 -2.493 1.00 0.00 H new ATOM 0 HA ASP A 28 -21.042 9.567 -4.306 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -18.301 9.137 -3.288 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -19.389 7.931 -2.630 1.00 0.00 H new ATOM 465 N PRO A 29 -22.328 8.745 -2.369 1.00 0.00 N ATOM 466 CA PRO A 29 -23.267 8.481 -1.251 1.00 0.00 C ATOM 467 C PRO A 29 -22.665 7.468 -0.272 1.00 0.00 C ATOM 468 O PRO A 29 -21.546 7.023 -0.432 1.00 0.00 O ATOM 469 CB PRO A 29 -24.494 7.898 -1.944 1.00 0.00 C ATOM 470 CG PRO A 29 -23.978 7.308 -3.219 1.00 0.00 C ATOM 471 CD PRO A 29 -22.752 8.092 -3.613 1.00 0.00 C ATOM 0 HA PRO A 29 -23.495 9.372 -0.666 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -24.974 7.140 -1.325 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -25.240 8.669 -2.140 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -23.733 6.255 -3.083 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -24.736 7.361 -4.001 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -21.972 7.440 -4.007 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -22.979 8.823 -4.389 1.00 0.00 H new ATOM 479 N GLU A 30 -23.403 7.098 0.739 1.00 0.00 N ATOM 480 CA GLU A 30 -22.880 6.111 1.728 1.00 0.00 C ATOM 481 C GLU A 30 -24.033 5.277 2.295 1.00 0.00 C ATOM 482 O GLU A 30 -25.160 5.726 2.363 1.00 0.00 O ATOM 483 CB GLU A 30 -22.231 6.955 2.827 1.00 0.00 C ATOM 484 CG GLU A 30 -20.953 6.269 3.316 1.00 0.00 C ATOM 485 CD GLU A 30 -19.733 6.990 2.737 1.00 0.00 C ATOM 486 OE1 GLU A 30 -19.770 8.207 2.659 1.00 0.00 O ATOM 487 OE2 GLU A 30 -18.782 6.313 2.384 1.00 0.00 O ATOM 0 H GLU A 30 -24.347 7.437 0.924 1.00 0.00 H new ATOM 0 HA GLU A 30 -22.171 5.413 1.284 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -21.999 7.949 2.446 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -22.926 7.086 3.657 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -20.914 6.283 4.405 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -20.949 5.223 3.010 1.00 0.00 H new ATOM 494 N GLY A 31 -23.764 4.064 2.699 1.00 0.00 N ATOM 495 CA GLY A 31 -24.850 3.206 3.254 1.00 0.00 C ATOM 496 C GLY A 31 -24.650 3.026 4.760 1.00 0.00 C ATOM 497 O GLY A 31 -25.522 2.549 5.460 1.00 0.00 O ATOM 0 H GLY A 31 -22.841 3.631 2.669 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -25.821 3.661 3.059 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -24.848 2.235 2.759 1.00 0.00 H new ATOM 501 N LYS A 32 -23.511 3.404 5.267 1.00 0.00 N ATOM 502 CA LYS A 32 -23.260 3.254 6.729 1.00 0.00 C ATOM 503 C LYS A 32 -23.532 1.811 7.170 1.00 0.00 C ATOM 504 O LYS A 32 -23.158 0.869 6.500 1.00 0.00 O ATOM 505 CB LYS A 32 -24.240 4.219 7.397 1.00 0.00 C ATOM 506 CG LYS A 32 -23.595 4.813 8.651 1.00 0.00 C ATOM 507 CD LYS A 32 -24.649 4.960 9.750 1.00 0.00 C ATOM 508 CE LYS A 32 -25.638 6.062 9.365 1.00 0.00 C ATOM 509 NZ LYS A 32 -26.973 5.403 9.387 1.00 0.00 N ATOM 0 H LYS A 32 -22.742 3.810 4.734 1.00 0.00 H new ATOM 0 HA LYS A 32 -22.227 3.473 6.997 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -24.513 5.015 6.704 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -25.159 3.696 7.661 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -22.784 4.170 8.994 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -23.157 5.784 8.421 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -25.176 4.017 9.891 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -24.169 5.202 10.698 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -25.596 6.894 10.068 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -25.414 6.467 8.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -27.706 6.095 9.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -26.985 4.620 8.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -27.162 5.033 10.340 1.00 0.00 H new ATOM 523 N ILE A 33 -24.174 1.628 8.295 1.00 0.00 N ATOM 524 CA ILE A 33 -24.457 0.243 8.772 1.00 0.00 C ATOM 525 C ILE A 33 -23.158 -0.568 8.794 1.00 0.00 C ATOM 526 O ILE A 33 -22.431 -0.565 9.766 1.00 0.00 O ATOM 527 CB ILE A 33 -25.444 -0.336 7.756 1.00 0.00 C ATOM 528 CG1 ILE A 33 -26.750 0.461 7.805 1.00 0.00 C ATOM 529 CG2 ILE A 33 -25.729 -1.800 8.095 1.00 0.00 C ATOM 530 CD1 ILE A 33 -27.508 0.278 6.489 1.00 0.00 C ATOM 0 H ILE A 33 -24.513 2.375 8.901 1.00 0.00 H new ATOM 0 HA ILE A 33 -24.866 0.222 9.782 1.00 0.00 H new ATOM 0 HB ILE A 33 -25.014 -0.273 6.756 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -27.363 0.124 8.640 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -26.538 1.517 7.971 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -26.432 -2.211 7.371 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -24.800 -2.369 8.062 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -26.159 -1.865 9.095 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -28.438 0.845 6.523 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -26.894 0.637 5.663 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -27.732 -0.779 6.342 1.00 0.00 H new ATOM 542 N ILE A 34 -22.854 -1.252 7.726 1.00 0.00 N ATOM 543 CA ILE A 34 -21.595 -2.048 7.685 1.00 0.00 C ATOM 544 C ILE A 34 -20.709 -1.548 6.540 1.00 0.00 C ATOM 545 O ILE A 34 -20.998 -0.547 5.916 1.00 0.00 O ATOM 546 CB ILE A 34 -22.041 -3.488 7.436 1.00 0.00 C ATOM 547 CG1 ILE A 34 -22.915 -3.541 6.181 1.00 0.00 C ATOM 548 CG2 ILE A 34 -22.846 -3.989 8.637 1.00 0.00 C ATOM 549 CD1 ILE A 34 -22.556 -4.780 5.359 1.00 0.00 C ATOM 0 H ILE A 34 -23.422 -1.294 6.880 1.00 0.00 H new ATOM 0 HA ILE A 34 -21.014 -1.963 8.603 1.00 0.00 H new ATOM 0 HB ILE A 34 -21.164 -4.120 7.297 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -23.968 -3.570 6.460 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -22.768 -2.641 5.584 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -23.164 -5.016 8.459 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -22.225 -3.951 9.532 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -23.723 -3.357 8.777 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -23.179 -4.817 4.465 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -21.507 -4.732 5.068 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -22.726 -5.675 5.957 1.00 0.00 H new ATOM 561 N LEU A 35 -19.635 -2.231 6.257 1.00 0.00 N ATOM 562 CA LEU A 35 -18.743 -1.780 5.149 1.00 0.00 C ATOM 563 C LEU A 35 -18.602 -2.882 4.097 1.00 0.00 C ATOM 564 O LEU A 35 -19.275 -2.877 3.085 1.00 0.00 O ATOM 565 CB LEU A 35 -17.395 -1.491 5.810 1.00 0.00 C ATOM 566 CG LEU A 35 -17.161 0.020 5.855 1.00 0.00 C ATOM 567 CD1 LEU A 35 -17.783 0.596 7.127 1.00 0.00 C ATOM 568 CD2 LEU A 35 -15.657 0.302 5.851 1.00 0.00 C ATOM 0 H LEU A 35 -19.336 -3.078 6.741 1.00 0.00 H new ATOM 0 HA LEU A 35 -19.139 -0.903 4.636 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -17.377 -1.902 6.819 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -16.594 -1.977 5.254 1.00 0.00 H new ATOM 0 HG LEU A 35 -17.622 0.485 4.983 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -17.616 1.673 7.158 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -18.854 0.395 7.132 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -17.323 0.132 7.999 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -15.489 1.378 5.883 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.197 -0.163 6.723 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -15.212 -0.108 4.944 1.00 0.00 H new ATOM 580 N THR A 36 -17.729 -3.827 4.324 1.00 0.00 N ATOM 581 CA THR A 36 -17.544 -4.928 3.331 1.00 0.00 C ATOM 582 C THR A 36 -16.299 -5.752 3.680 1.00 0.00 C ATOM 583 O THR A 36 -16.357 -6.672 4.470 1.00 0.00 O ATOM 584 CB THR A 36 -17.377 -4.235 1.970 1.00 0.00 C ATOM 585 OG1 THR A 36 -16.670 -5.097 1.090 1.00 0.00 O ATOM 586 CG2 THR A 36 -16.601 -2.923 2.131 1.00 0.00 C ATOM 0 H THR A 36 -17.136 -3.885 5.152 1.00 0.00 H new ATOM 0 HA THR A 36 -18.388 -5.617 3.324 1.00 0.00 H new ATOM 0 HB THR A 36 -18.363 -4.013 1.561 1.00 0.00 H new ATOM 0 HG1 THR A 36 -16.563 -4.659 0.220 1.00 0.00 H new ATOM 0 HG21 THR A 36 -16.491 -2.444 1.158 1.00 0.00 H new ATOM 0 HG22 THR A 36 -17.144 -2.259 2.803 1.00 0.00 H new ATOM 0 HG23 THR A 36 -15.615 -3.132 2.546 1.00 0.00 H new ATOM 594 N THR A 37 -15.175 -5.433 3.099 1.00 0.00 N ATOM 595 CA THR A 37 -13.935 -6.203 3.402 1.00 0.00 C ATOM 596 C THR A 37 -13.526 -6.002 4.864 1.00 0.00 C ATOM 597 O THR A 37 -13.446 -4.892 5.350 1.00 0.00 O ATOM 598 CB THR A 37 -12.876 -5.626 2.460 1.00 0.00 C ATOM 599 OG1 THR A 37 -13.072 -6.151 1.155 1.00 0.00 O ATOM 600 CG2 THR A 37 -11.479 -6.002 2.959 1.00 0.00 C ATOM 0 H THR A 37 -15.061 -4.673 2.428 1.00 0.00 H new ATOM 0 HA THR A 37 -14.068 -7.275 3.260 1.00 0.00 H new ATOM 0 HB THR A 37 -12.967 -4.540 2.435 1.00 0.00 H new ATOM 0 HG1 THR A 37 -12.396 -5.782 0.549 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.729 -5.589 2.285 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.329 -5.598 3.960 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.383 -7.087 2.988 1.00 0.00 H new ATOM 608 N THR A 38 -13.258 -7.071 5.561 1.00 0.00 N ATOM 609 CA THR A 38 -12.842 -6.952 6.988 1.00 0.00 C ATOM 610 C THR A 38 -11.351 -7.273 7.115 1.00 0.00 C ATOM 611 O THR A 38 -10.700 -7.610 6.146 1.00 0.00 O ATOM 612 CB THR A 38 -13.679 -7.991 7.741 1.00 0.00 C ATOM 613 OG1 THR A 38 -13.118 -9.282 7.539 1.00 0.00 O ATOM 614 CG2 THR A 38 -15.120 -7.974 7.223 1.00 0.00 C ATOM 0 H THR A 38 -13.309 -8.025 5.203 1.00 0.00 H new ATOM 0 HA THR A 38 -12.996 -5.949 7.385 1.00 0.00 H new ATOM 0 HB THR A 38 -13.679 -7.752 8.804 1.00 0.00 H new ATOM 0 HG1 THR A 38 -13.650 -9.949 8.021 1.00 0.00 H new ATOM 0 HG21 THR A 38 -15.709 -8.715 7.763 1.00 0.00 H new ATOM 0 HG22 THR A 38 -15.551 -6.985 7.378 1.00 0.00 H new ATOM 0 HG23 THR A 38 -15.127 -8.210 6.159 1.00 0.00 H new ATOM 622 N ARG A 39 -10.802 -7.175 8.296 1.00 0.00 N ATOM 623 CA ARG A 39 -9.353 -7.481 8.463 1.00 0.00 C ATOM 624 C ARG A 39 -9.000 -8.751 7.689 1.00 0.00 C ATOM 625 O ARG A 39 -8.210 -8.731 6.767 1.00 0.00 O ATOM 626 CB ARG A 39 -9.152 -7.690 9.964 1.00 0.00 C ATOM 627 CG ARG A 39 -7.654 -7.693 10.280 1.00 0.00 C ATOM 628 CD ARG A 39 -7.429 -7.160 11.697 1.00 0.00 C ATOM 629 NE ARG A 39 -7.691 -8.323 12.589 1.00 0.00 N ATOM 630 CZ ARG A 39 -7.843 -8.140 13.871 1.00 0.00 C ATOM 631 NH1 ARG A 39 -7.048 -7.327 14.511 1.00 0.00 N ATOM 632 NH2 ARG A 39 -8.791 -8.767 14.513 1.00 0.00 N ATOM 0 H ARG A 39 -11.291 -6.898 9.147 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.715 -6.683 8.083 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.651 -6.898 10.523 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.603 -8.633 10.275 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.255 -8.704 10.193 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.118 -7.076 9.559 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.412 -6.787 11.822 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.102 -6.332 11.919 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.752 -9.263 12.197 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.309 -6.836 14.008 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.166 -7.183 15.514 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.414 -9.401 14.012 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.909 -8.623 15.516 1.00 0.00 H new ATOM 646 N GLU A 40 -9.591 -9.854 8.051 1.00 0.00 N ATOM 647 CA GLU A 40 -9.302 -11.125 7.328 1.00 0.00 C ATOM 648 C GLU A 40 -9.528 -10.924 5.830 1.00 0.00 C ATOM 649 O GLU A 40 -8.611 -10.990 5.036 1.00 0.00 O ATOM 650 CB GLU A 40 -10.302 -12.138 7.886 1.00 0.00 C ATOM 651 CG GLU A 40 -10.067 -13.502 7.232 1.00 0.00 C ATOM 652 CD GLU A 40 -10.049 -14.592 8.306 1.00 0.00 C ATOM 653 OE1 GLU A 40 -10.174 -14.253 9.471 1.00 0.00 O ATOM 654 OE2 GLU A 40 -9.911 -15.749 7.944 1.00 0.00 O ATOM 0 H GLU A 40 -10.262 -9.932 8.816 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.273 -11.457 7.463 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.190 -12.217 8.967 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.321 -11.802 7.695 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.852 -13.708 6.505 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.122 -13.498 6.688 1.00 0.00 H new ATOM 661 N ALA A 41 -10.747 -10.669 5.442 1.00 0.00 N ATOM 662 CA ALA A 41 -11.040 -10.452 3.998 1.00 0.00 C ATOM 663 C ALA A 41 -9.966 -9.558 3.378 1.00 0.00 C ATOM 664 O ALA A 41 -9.379 -9.885 2.365 1.00 0.00 O ATOM 665 CB ALA A 41 -12.405 -9.762 3.970 1.00 0.00 C ATOM 0 H ALA A 41 -11.553 -10.602 6.063 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.047 -11.381 3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.693 -9.567 2.937 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.148 -10.407 4.439 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.348 -8.820 4.515 1.00 0.00 H new ATOM 671 N ALA A 42 -9.699 -8.437 3.984 1.00 0.00 N ATOM 672 CA ALA A 42 -8.654 -7.523 3.438 1.00 0.00 C ATOM 673 C ALA A 42 -7.393 -8.318 3.105 1.00 0.00 C ATOM 674 O ALA A 42 -7.039 -8.490 1.955 1.00 0.00 O ATOM 675 CB ALA A 42 -8.378 -6.523 4.561 1.00 0.00 C ATOM 0 H ALA A 42 -10.158 -8.112 4.835 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.971 -7.026 2.522 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.617 -5.813 4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.295 -5.986 4.804 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.025 -7.056 5.444 1.00 0.00 H new ATOM 681 N VAL A 43 -6.716 -8.812 4.104 1.00 0.00 N ATOM 682 CA VAL A 43 -5.482 -9.605 3.843 1.00 0.00 C ATOM 683 C VAL A 43 -5.750 -10.609 2.722 1.00 0.00 C ATOM 684 O VAL A 43 -4.889 -10.904 1.919 1.00 0.00 O ATOM 685 CB VAL A 43 -5.179 -10.327 5.156 1.00 0.00 C ATOM 686 CG1 VAL A 43 -3.869 -11.103 5.021 1.00 0.00 C ATOM 687 CG2 VAL A 43 -5.051 -9.301 6.284 1.00 0.00 C ATOM 0 H VAL A 43 -6.963 -8.701 5.087 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.643 -8.983 3.530 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.989 -11.020 5.385 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.653 -11.618 5.957 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.960 -11.834 4.218 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.058 -10.411 4.792 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.835 -9.815 7.221 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.241 -8.608 6.055 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.985 -8.748 6.381 1.00 0.00 H new ATOM 697 N GLU A 44 -6.947 -11.124 2.655 1.00 0.00 N ATOM 698 CA GLU A 44 -7.278 -12.097 1.576 1.00 0.00 C ATOM 699 C GLU A 44 -7.220 -11.388 0.224 1.00 0.00 C ATOM 700 O GLU A 44 -6.535 -11.813 -0.685 1.00 0.00 O ATOM 701 CB GLU A 44 -8.701 -12.566 1.882 1.00 0.00 C ATOM 702 CG GLU A 44 -8.962 -13.902 1.181 1.00 0.00 C ATOM 703 CD GLU A 44 -10.218 -14.551 1.767 1.00 0.00 C ATOM 704 OE1 GLU A 44 -10.233 -14.792 2.963 1.00 0.00 O ATOM 705 OE2 GLU A 44 -11.143 -14.795 1.011 1.00 0.00 O ATOM 0 H GLU A 44 -7.709 -10.914 3.300 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.584 -12.936 1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.835 -12.676 2.958 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.421 -11.820 1.545 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.088 -13.744 0.110 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.105 -14.564 1.307 1.00 0.00 H new ATOM 712 N GLN A 45 -7.924 -10.299 0.096 1.00 0.00 N ATOM 713 CA GLN A 45 -7.901 -9.543 -1.188 1.00 0.00 C ATOM 714 C GLN A 45 -6.466 -9.112 -1.491 1.00 0.00 C ATOM 715 O GLN A 45 -6.069 -8.981 -2.633 1.00 0.00 O ATOM 716 CB GLN A 45 -8.794 -8.324 -0.944 1.00 0.00 C ATOM 717 CG GLN A 45 -9.754 -8.144 -2.122 1.00 0.00 C ATOM 718 CD GLN A 45 -9.030 -7.445 -3.274 1.00 0.00 C ATOM 719 OE1 GLN A 45 -7.852 -7.161 -3.184 1.00 0.00 O ATOM 720 NE2 GLN A 45 -9.691 -7.155 -4.362 1.00 0.00 N ATOM 0 H GLN A 45 -8.515 -9.899 0.825 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.251 -10.131 -2.036 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.357 -8.453 -0.020 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.181 -7.431 -0.822 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.129 -9.114 -2.450 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.618 -7.556 -1.813 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.680 -7.394 -4.437 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.219 -6.690 -5.137 1.00 0.00 H new ATOM 729 N LEU A 46 -5.682 -8.902 -0.470 1.00 0.00 N ATOM 730 CA LEU A 46 -4.268 -8.490 -0.683 1.00 0.00 C ATOM 731 C LEU A 46 -3.402 -9.727 -0.936 1.00 0.00 C ATOM 732 O LEU A 46 -2.496 -9.710 -1.744 1.00 0.00 O ATOM 733 CB LEU A 46 -3.857 -7.797 0.616 1.00 0.00 C ATOM 734 CG LEU A 46 -2.742 -6.791 0.328 1.00 0.00 C ATOM 735 CD1 LEU A 46 -2.928 -5.557 1.213 1.00 0.00 C ATOM 736 CD2 LEU A 46 -1.389 -7.436 0.634 1.00 0.00 C ATOM 0 H LEU A 46 -5.962 -8.999 0.506 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.148 -7.833 -1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.715 -7.289 1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.516 -8.535 1.342 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.779 -6.495 -0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.134 -4.839 1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.894 -5.099 1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.889 -5.852 2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.591 -6.722 0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.354 -7.729 1.683 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.256 -8.318 0.007 1.00 0.00 H new ATOM 748 N LYS A 47 -3.682 -10.803 -0.256 1.00 0.00 N ATOM 749 CA LYS A 47 -2.881 -12.043 -0.467 1.00 0.00 C ATOM 750 C LYS A 47 -2.842 -12.377 -1.958 1.00 0.00 C ATOM 751 O LYS A 47 -1.889 -12.941 -2.457 1.00 0.00 O ATOM 752 CB LYS A 47 -3.615 -13.137 0.311 1.00 0.00 C ATOM 753 CG LYS A 47 -2.613 -13.916 1.166 1.00 0.00 C ATOM 754 CD LYS A 47 -3.361 -14.698 2.248 1.00 0.00 C ATOM 755 CE LYS A 47 -3.232 -13.971 3.590 1.00 0.00 C ATOM 756 NZ LYS A 47 -1.919 -14.407 4.141 1.00 0.00 N ATOM 0 H LYS A 47 -4.428 -10.879 0.435 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.850 -11.937 -0.129 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.383 -12.694 0.945 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.122 -13.811 -0.379 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.039 -14.599 0.540 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.901 -13.230 1.625 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.412 -14.799 1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.955 -15.706 2.329 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.265 -12.890 3.458 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.049 -14.235 4.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.760 -13.950 5.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.919 -15.440 4.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.160 -14.136 3.484 1.00 0.00 H new ATOM 770 N SER A 48 -3.875 -12.023 -2.671 1.00 0.00 N ATOM 771 CA SER A 48 -3.907 -12.306 -4.133 1.00 0.00 C ATOM 772 C SER A 48 -3.204 -11.180 -4.893 1.00 0.00 C ATOM 773 O SER A 48 -2.503 -11.413 -5.859 1.00 0.00 O ATOM 774 CB SER A 48 -5.391 -12.361 -4.496 1.00 0.00 C ATOM 775 OG SER A 48 -5.537 -12.228 -5.903 1.00 0.00 O ATOM 0 H SER A 48 -4.700 -11.549 -2.303 1.00 0.00 H new ATOM 0 HA SER A 48 -3.397 -13.234 -4.391 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.824 -13.304 -4.162 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.931 -11.564 -3.986 1.00 0.00 H new ATOM 0 HG SER A 48 -6.488 -12.265 -6.138 1.00 0.00 H new ATOM 781 N ILE A 49 -3.375 -9.961 -4.458 1.00 0.00 N ATOM 782 CA ILE A 49 -2.704 -8.827 -5.155 1.00 0.00 C ATOM 783 C ILE A 49 -1.189 -9.029 -5.101 1.00 0.00 C ATOM 784 O ILE A 49 -0.505 -8.962 -6.103 1.00 0.00 O ATOM 785 CB ILE A 49 -3.156 -7.560 -4.400 1.00 0.00 C ATOM 786 CG1 ILE A 49 -3.366 -6.425 -5.405 1.00 0.00 C ATOM 787 CG2 ILE A 49 -2.111 -7.127 -3.362 1.00 0.00 C ATOM 788 CD1 ILE A 49 -2.047 -6.120 -6.116 1.00 0.00 C ATOM 0 H ILE A 49 -3.947 -9.702 -3.654 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.967 -8.751 -6.210 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.086 -7.785 -3.878 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.127 -6.706 -6.133 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.729 -5.534 -4.892 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.459 -6.232 -2.847 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.964 -7.928 -2.638 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.167 -6.913 -3.863 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.198 -5.312 -6.831 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.299 -5.820 -5.382 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.703 -7.010 -6.642 1.00 0.00 H new ATOM 800 N ARG A 50 -0.667 -9.306 -3.940 1.00 0.00 N ATOM 801 CA ARG A 50 0.796 -9.547 -3.827 1.00 0.00 C ATOM 802 C ARG A 50 1.146 -10.766 -4.678 1.00 0.00 C ATOM 803 O ARG A 50 2.159 -10.811 -5.347 1.00 0.00 O ATOM 804 CB ARG A 50 1.041 -9.826 -2.344 1.00 0.00 C ATOM 805 CG ARG A 50 2.394 -10.517 -2.168 1.00 0.00 C ATOM 806 CD ARG A 50 2.173 -11.973 -1.750 1.00 0.00 C ATOM 807 NE ARG A 50 3.164 -12.215 -0.666 1.00 0.00 N ATOM 808 CZ ARG A 50 4.207 -12.961 -0.895 1.00 0.00 C ATOM 809 NH1 ARG A 50 4.051 -14.186 -1.314 1.00 0.00 N ATOM 810 NH2 ARG A 50 5.407 -12.483 -0.707 1.00 0.00 N ATOM 0 H ARG A 50 -1.189 -9.376 -3.067 1.00 0.00 H new ATOM 0 HA ARG A 50 1.404 -8.710 -4.171 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.022 -8.893 -1.780 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.245 -10.456 -1.946 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.959 -10.477 -3.099 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.985 -9.997 -1.414 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.154 -12.132 -1.397 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.330 -12.653 -2.588 1.00 0.00 H new ATOM 0 HE ARG A 50 3.027 -11.797 0.254 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.113 -14.559 -1.462 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.867 -14.771 -1.494 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.529 -11.524 -0.380 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.223 -13.068 -0.887 1.00 0.00 H new ATOM 824 N GLU A 51 0.282 -11.744 -4.670 1.00 0.00 N ATOM 825 CA GLU A 51 0.507 -12.967 -5.489 1.00 0.00 C ATOM 826 C GLU A 51 0.508 -12.581 -6.962 1.00 0.00 C ATOM 827 O GLU A 51 1.456 -12.805 -7.687 1.00 0.00 O ATOM 828 CB GLU A 51 -0.700 -13.854 -5.165 1.00 0.00 C ATOM 829 CG GLU A 51 -0.968 -14.851 -6.300 1.00 0.00 C ATOM 830 CD GLU A 51 0.354 -15.383 -6.855 1.00 0.00 C ATOM 831 OE1 GLU A 51 1.144 -15.886 -6.073 1.00 0.00 O ATOM 832 OE2 GLU A 51 0.555 -15.274 -8.053 1.00 0.00 O ATOM 0 H GLU A 51 -0.580 -11.747 -4.124 1.00 0.00 H new ATOM 0 HA GLU A 51 1.453 -13.467 -5.281 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.520 -14.395 -4.236 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.581 -13.232 -5.006 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.576 -15.678 -5.932 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.536 -14.366 -7.094 1.00 0.00 H new ATOM 839 N ASP A 52 -0.552 -11.986 -7.405 1.00 0.00 N ATOM 840 CA ASP A 52 -0.609 -11.562 -8.828 1.00 0.00 C ATOM 841 C ASP A 52 0.612 -10.695 -9.122 1.00 0.00 C ATOM 842 O ASP A 52 1.325 -10.910 -10.082 1.00 0.00 O ATOM 843 CB ASP A 52 -1.900 -10.756 -8.963 1.00 0.00 C ATOM 844 CG ASP A 52 -2.539 -11.033 -10.326 1.00 0.00 C ATOM 845 OD1 ASP A 52 -2.093 -10.444 -11.297 1.00 0.00 O ATOM 846 OD2 ASP A 52 -3.462 -11.829 -10.374 1.00 0.00 O ATOM 0 H ASP A 52 -1.381 -11.773 -6.850 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.602 -12.399 -9.527 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.592 -11.023 -8.165 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.689 -9.692 -8.859 1.00 0.00 H new ATOM 851 N ILE A 53 0.880 -9.735 -8.278 1.00 0.00 N ATOM 852 CA ILE A 53 2.078 -8.883 -8.489 1.00 0.00 C ATOM 853 C ILE A 53 3.316 -9.767 -8.387 1.00 0.00 C ATOM 854 O ILE A 53 4.348 -9.493 -8.967 1.00 0.00 O ATOM 855 CB ILE A 53 2.052 -7.855 -7.359 1.00 0.00 C ATOM 856 CG1 ILE A 53 0.961 -6.819 -7.641 1.00 0.00 C ATOM 857 CG2 ILE A 53 3.410 -7.158 -7.277 1.00 0.00 C ATOM 858 CD1 ILE A 53 1.041 -5.697 -6.604 1.00 0.00 C ATOM 0 H ILE A 53 0.321 -9.507 -7.456 1.00 0.00 H new ATOM 0 HA ILE A 53 2.090 -8.390 -9.461 1.00 0.00 H new ATOM 0 HB ILE A 53 1.843 -8.355 -6.413 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.083 -6.411 -8.644 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.021 -7.291 -7.607 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.394 -6.424 -6.471 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.187 -7.897 -7.080 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.619 -6.656 -8.222 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.264 -4.960 -6.805 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.897 -6.112 -5.607 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.019 -5.218 -6.660 1.00 0.00 H new ATOM 870 N VAL A 54 3.206 -10.843 -7.658 1.00 0.00 N ATOM 871 CA VAL A 54 4.355 -11.773 -7.520 1.00 0.00 C ATOM 872 C VAL A 54 4.582 -12.487 -8.857 1.00 0.00 C ATOM 873 O VAL A 54 5.629 -12.372 -9.462 1.00 0.00 O ATOM 874 CB VAL A 54 3.936 -12.744 -6.397 1.00 0.00 C ATOM 875 CG1 VAL A 54 4.325 -14.186 -6.738 1.00 0.00 C ATOM 876 CG2 VAL A 54 4.627 -12.337 -5.098 1.00 0.00 C ATOM 0 H VAL A 54 2.365 -11.117 -7.151 1.00 0.00 H new ATOM 0 HA VAL A 54 5.296 -11.282 -7.271 1.00 0.00 H new ATOM 0 HB VAL A 54 2.853 -12.694 -6.287 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.017 -14.847 -5.928 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.830 -14.488 -7.661 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.405 -14.250 -6.868 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.334 -13.020 -4.301 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.708 -12.378 -5.233 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.333 -11.322 -4.832 1.00 0.00 H new ATOM 886 N SER A 55 3.604 -13.211 -9.326 1.00 0.00 N ATOM 887 CA SER A 55 3.763 -13.918 -10.630 1.00 0.00 C ATOM 888 C SER A 55 3.134 -13.100 -11.760 1.00 0.00 C ATOM 889 O SER A 55 2.085 -12.509 -11.602 1.00 0.00 O ATOM 890 CB SER A 55 3.032 -15.249 -10.470 1.00 0.00 C ATOM 891 OG SER A 55 2.612 -15.403 -9.121 1.00 0.00 O ATOM 0 H SER A 55 2.704 -13.344 -8.865 1.00 0.00 H new ATOM 0 HA SER A 55 4.813 -14.062 -10.883 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.170 -15.284 -11.136 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.688 -16.072 -10.754 1.00 0.00 H new ATOM 0 HG SER A 55 1.701 -15.056 -9.020 1.00 0.00 H new ATOM 897 N GLY A 56 3.764 -13.064 -12.901 1.00 0.00 N ATOM 898 CA GLY A 56 3.204 -12.295 -14.038 1.00 0.00 C ATOM 899 C GLY A 56 3.596 -10.832 -13.893 1.00 0.00 C ATOM 900 O GLY A 56 3.090 -10.127 -13.043 1.00 0.00 O ATOM 0 H GLY A 56 4.647 -13.538 -13.092 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.579 -12.693 -14.981 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.119 -12.393 -14.059 1.00 0.00 H new ATOM 904 N LYS A 57 4.488 -10.362 -14.716 1.00 0.00 N ATOM 905 CA LYS A 57 4.904 -8.936 -14.628 1.00 0.00 C ATOM 906 C LYS A 57 3.742 -8.036 -15.055 1.00 0.00 C ATOM 907 O LYS A 57 3.869 -7.214 -15.940 1.00 0.00 O ATOM 908 CB LYS A 57 6.072 -8.811 -15.604 1.00 0.00 C ATOM 909 CG LYS A 57 6.770 -7.467 -15.396 1.00 0.00 C ATOM 910 CD LYS A 57 8.105 -7.693 -14.686 1.00 0.00 C ATOM 911 CE LYS A 57 9.177 -6.808 -15.325 1.00 0.00 C ATOM 912 NZ LYS A 57 9.536 -7.495 -16.597 1.00 0.00 N ATOM 0 H LYS A 57 4.948 -10.904 -15.447 1.00 0.00 H new ATOM 0 HA LYS A 57 5.187 -8.638 -13.618 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.778 -9.627 -15.449 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.712 -8.891 -16.630 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.934 -6.978 -16.356 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.138 -6.804 -14.804 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.010 -7.459 -13.626 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.394 -8.742 -14.757 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.799 -5.803 -15.512 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.045 -6.706 -14.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.520 -7.829 -16.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.902 -8.307 -16.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.437 -6.830 -17.391 1.00 0.00 H new ATOM 926 N ALA A 58 2.606 -8.198 -14.434 1.00 0.00 N ATOM 927 CA ALA A 58 1.424 -7.372 -14.798 1.00 0.00 C ATOM 928 C ALA A 58 1.719 -5.881 -14.601 1.00 0.00 C ATOM 929 O ALA A 58 2.859 -5.461 -14.567 1.00 0.00 O ATOM 930 CB ALA A 58 0.336 -7.840 -13.836 1.00 0.00 C ATOM 0 H ALA A 58 2.447 -8.872 -13.685 1.00 0.00 H new ATOM 0 HA ALA A 58 1.138 -7.487 -15.844 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.582 -7.285 -14.027 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.154 -8.905 -13.983 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.658 -7.665 -12.809 1.00 0.00 H new ATOM 936 N ASN A 59 0.695 -5.079 -14.480 1.00 0.00 N ATOM 937 CA ASN A 59 0.904 -3.616 -14.293 1.00 0.00 C ATOM 938 C ASN A 59 0.889 -3.259 -12.804 1.00 0.00 C ATOM 939 O ASN A 59 1.119 -4.096 -11.954 1.00 0.00 O ATOM 940 CB ASN A 59 -0.278 -2.968 -15.009 1.00 0.00 C ATOM 941 CG ASN A 59 -0.385 -3.529 -16.428 1.00 0.00 C ATOM 942 OD1 ASN A 59 -0.989 -4.561 -16.642 1.00 0.00 O ATOM 943 ND2 ASN A 59 0.180 -2.887 -17.413 1.00 0.00 N ATOM 0 H ASN A 59 -0.280 -5.376 -14.503 1.00 0.00 H new ATOM 0 HA ASN A 59 1.864 -3.279 -14.685 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.200 -3.161 -14.460 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.148 -1.886 -15.043 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.115 -3.251 -18.363 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.687 -2.020 -17.233 1.00 0.00 H new ATOM 950 N PHE A 60 0.615 -2.022 -12.485 1.00 0.00 N ATOM 951 CA PHE A 60 0.579 -1.606 -11.052 1.00 0.00 C ATOM 952 C PHE A 60 0.227 -0.119 -10.935 1.00 0.00 C ATOM 953 O PHE A 60 -0.374 0.312 -9.972 1.00 0.00 O ATOM 954 CB PHE A 60 1.993 -1.857 -10.523 1.00 0.00 C ATOM 955 CG PHE A 60 2.029 -1.575 -9.040 1.00 0.00 C ATOM 956 CD1 PHE A 60 1.871 -0.264 -8.574 1.00 0.00 C ATOM 957 CD2 PHE A 60 2.213 -2.623 -8.131 1.00 0.00 C ATOM 958 CE1 PHE A 60 1.897 -0.002 -7.199 1.00 0.00 C ATOM 959 CE2 PHE A 60 2.240 -2.360 -6.756 1.00 0.00 C ATOM 960 CZ PHE A 60 2.082 -1.050 -6.291 1.00 0.00 C ATOM 0 H PHE A 60 0.414 -1.280 -13.156 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.173 -2.158 -10.489 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.288 -2.888 -10.716 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.707 -1.219 -11.044 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.729 0.545 -9.275 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.334 -3.634 -8.490 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.774 1.009 -6.839 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.383 -3.168 -6.054 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.103 -0.848 -5.230 1.00 0.00 H new ATOM 970 N GLU A 61 0.604 0.669 -11.905 1.00 0.00 N ATOM 971 CA GLU A 61 0.298 2.129 -11.844 1.00 0.00 C ATOM 972 C GLU A 61 -1.211 2.365 -11.901 1.00 0.00 C ATOM 973 O GLU A 61 -1.851 2.572 -10.889 1.00 0.00 O ATOM 974 CB GLU A 61 0.979 2.730 -13.073 1.00 0.00 C ATOM 975 CG GLU A 61 2.462 2.958 -12.779 1.00 0.00 C ATOM 976 CD GLU A 61 2.687 4.420 -12.385 1.00 0.00 C ATOM 977 OE1 GLU A 61 2.311 5.286 -13.158 1.00 0.00 O ATOM 978 OE2 GLU A 61 3.231 4.648 -11.317 1.00 0.00 O ATOM 0 H GLU A 61 1.110 0.366 -12.737 1.00 0.00 H new ATOM 0 HA GLU A 61 0.652 2.581 -10.917 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.866 2.062 -13.927 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.502 3.673 -13.341 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.789 2.299 -11.975 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.060 2.711 -13.656 1.00 0.00 H new ATOM 985 N GLU A 62 -1.785 2.336 -13.077 1.00 0.00 N ATOM 986 CA GLU A 62 -3.256 2.558 -13.192 1.00 0.00 C ATOM 987 C GLU A 62 -3.970 1.810 -12.069 1.00 0.00 C ATOM 988 O GLU A 62 -4.828 2.349 -11.396 1.00 0.00 O ATOM 989 CB GLU A 62 -3.639 1.988 -14.558 1.00 0.00 C ATOM 990 CG GLU A 62 -3.825 3.135 -15.552 1.00 0.00 C ATOM 991 CD GLU A 62 -4.238 2.571 -16.912 1.00 0.00 C ATOM 992 OE1 GLU A 62 -5.419 2.327 -17.096 1.00 0.00 O ATOM 993 OE2 GLU A 62 -3.366 2.392 -17.746 1.00 0.00 O ATOM 0 H GLU A 62 -1.300 2.169 -13.959 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.534 3.609 -13.108 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.864 1.308 -14.911 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.559 1.409 -14.478 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.585 3.826 -15.187 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.898 3.701 -15.648 1.00 0.00 H new ATOM 1000 N VAL A 63 -3.604 0.581 -11.838 1.00 0.00 N ATOM 1001 CA VAL A 63 -4.244 -0.179 -10.734 1.00 0.00 C ATOM 1002 C VAL A 63 -4.195 0.668 -9.463 1.00 0.00 C ATOM 1003 O VAL A 63 -5.179 0.838 -8.773 1.00 0.00 O ATOM 1004 CB VAL A 63 -3.394 -1.449 -10.586 1.00 0.00 C ATOM 1005 CG1 VAL A 63 -3.450 -1.965 -9.145 1.00 0.00 C ATOM 1006 CG2 VAL A 63 -3.932 -2.529 -11.519 1.00 0.00 C ATOM 0 H VAL A 63 -2.893 0.073 -12.364 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.289 -0.424 -10.924 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.361 -1.210 -10.841 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.842 -2.866 -9.057 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.066 -1.201 -8.470 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.482 -2.197 -8.881 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.330 -3.432 -11.416 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.967 -2.751 -11.260 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.884 -2.177 -12.549 1.00 0.00 H new ATOM 1016 N ALA A 64 -3.048 1.201 -9.159 1.00 0.00 N ATOM 1017 CA ALA A 64 -2.910 2.041 -7.938 1.00 0.00 C ATOM 1018 C ALA A 64 -3.781 3.295 -8.042 1.00 0.00 C ATOM 1019 O ALA A 64 -4.640 3.533 -7.218 1.00 0.00 O ATOM 1020 CB ALA A 64 -1.429 2.419 -7.892 1.00 0.00 C ATOM 0 H ALA A 64 -2.194 1.091 -9.706 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.231 1.515 -7.039 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.239 3.042 -7.018 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.824 1.514 -7.831 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.166 2.971 -8.794 1.00 0.00 H new ATOM 1026 N THR A 65 -3.559 4.102 -9.040 1.00 0.00 N ATOM 1027 CA THR A 65 -4.363 5.350 -9.185 1.00 0.00 C ATOM 1028 C THR A 65 -5.840 5.100 -8.862 1.00 0.00 C ATOM 1029 O THR A 65 -6.557 5.996 -8.463 1.00 0.00 O ATOM 1030 CB THR A 65 -4.205 5.763 -10.648 1.00 0.00 C ATOM 1031 OG1 THR A 65 -3.625 4.696 -11.379 1.00 0.00 O ATOM 1032 CG2 THR A 65 -3.308 6.996 -10.742 1.00 0.00 C ATOM 0 H THR A 65 -2.855 3.953 -9.763 1.00 0.00 H new ATOM 0 HA THR A 65 -4.022 6.123 -8.497 1.00 0.00 H new ATOM 0 HB THR A 65 -5.184 6.000 -11.065 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.298 4.000 -11.532 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.198 7.287 -11.787 1.00 0.00 H new ATOM 0 HG22 THR A 65 -3.757 7.816 -10.182 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.328 6.766 -10.324 1.00 0.00 H new ATOM 1040 N ARG A 66 -6.307 3.897 -9.037 1.00 0.00 N ATOM 1041 CA ARG A 66 -7.740 3.612 -8.740 1.00 0.00 C ATOM 1042 C ARG A 66 -7.887 3.046 -7.327 1.00 0.00 C ATOM 1043 O ARG A 66 -8.455 3.668 -6.451 1.00 0.00 O ATOM 1044 CB ARG A 66 -8.163 2.579 -9.781 1.00 0.00 C ATOM 1045 CG ARG A 66 -9.679 2.385 -9.716 1.00 0.00 C ATOM 1046 CD ARG A 66 -10.154 1.640 -10.964 1.00 0.00 C ATOM 1047 NE ARG A 66 -11.632 1.826 -10.982 1.00 0.00 N ATOM 1048 CZ ARG A 66 -12.394 0.941 -11.565 1.00 0.00 C ATOM 1049 NH1 ARG A 66 -11.879 0.101 -12.421 1.00 0.00 N ATOM 1050 NH2 ARG A 66 -13.669 0.898 -11.292 1.00 0.00 N ATOM 0 H ARG A 66 -5.763 3.101 -9.371 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.357 4.510 -8.785 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.870 2.909 -10.777 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.656 1.632 -9.597 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.946 1.823 -8.821 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.177 3.352 -9.646 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.694 2.045 -11.865 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.889 0.584 -10.918 1.00 0.00 H new ATOM 0 HE ARG A 66 -12.048 2.645 -10.539 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.882 0.137 -12.634 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.473 -0.591 -12.877 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.070 1.556 -10.623 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.265 0.207 -11.747 1.00 0.00 H new ATOM 1064 N VAL A 67 -7.379 1.870 -7.105 1.00 0.00 N ATOM 1065 CA VAL A 67 -7.482 1.250 -5.752 1.00 0.00 C ATOM 1066 C VAL A 67 -6.337 1.742 -4.861 1.00 0.00 C ATOM 1067 O VAL A 67 -5.569 0.963 -4.335 1.00 0.00 O ATOM 1068 CB VAL A 67 -7.376 -0.261 -5.997 1.00 0.00 C ATOM 1069 CG1 VAL A 67 -6.171 -0.561 -6.888 1.00 0.00 C ATOM 1070 CG2 VAL A 67 -7.196 -0.987 -4.666 1.00 0.00 C ATOM 0 H VAL A 67 -6.894 1.306 -7.803 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.410 1.510 -5.244 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.289 -0.602 -6.486 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.102 -1.636 -7.057 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.289 -0.050 -7.843 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.261 -0.212 -6.399 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.121 -2.060 -4.844 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.286 -0.635 -4.180 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.052 -0.785 -4.023 1.00 0.00 H new ATOM 1080 N SER A 68 -6.212 3.032 -4.692 1.00 0.00 N ATOM 1081 CA SER A 68 -5.109 3.567 -3.841 1.00 0.00 C ATOM 1082 C SER A 68 -5.658 4.461 -2.725 1.00 0.00 C ATOM 1083 O SER A 68 -6.844 4.706 -2.633 1.00 0.00 O ATOM 1084 CB SER A 68 -4.231 4.376 -4.791 1.00 0.00 C ATOM 1085 OG SER A 68 -3.251 3.520 -5.365 1.00 0.00 O ATOM 0 H SER A 68 -6.824 3.736 -5.105 1.00 0.00 H new ATOM 0 HA SER A 68 -4.556 2.767 -3.349 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.841 4.827 -5.574 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.748 5.192 -4.253 1.00 0.00 H new ATOM 0 HG SER A 68 -2.367 3.749 -5.008 1.00 0.00 H new ATOM 1091 N ASP A 69 -4.791 4.943 -1.874 1.00 0.00 N ATOM 1092 CA ASP A 69 -5.238 5.818 -0.751 1.00 0.00 C ATOM 1093 C ASP A 69 -5.747 7.162 -1.277 1.00 0.00 C ATOM 1094 O ASP A 69 -5.047 8.153 -1.249 1.00 0.00 O ATOM 1095 CB ASP A 69 -3.988 6.017 0.106 1.00 0.00 C ATOM 1096 CG ASP A 69 -4.383 6.608 1.460 1.00 0.00 C ATOM 1097 OD1 ASP A 69 -5.485 7.122 1.561 1.00 0.00 O ATOM 1098 OD2 ASP A 69 -3.577 6.537 2.372 1.00 0.00 O ATOM 0 H ASP A 69 -3.787 4.767 -1.909 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.061 5.376 -0.189 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.477 5.065 0.249 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.289 6.681 -0.402 1.00 0.00 H new ATOM 1103 N CYS A 70 -6.967 7.196 -1.746 1.00 0.00 N ATOM 1104 CA CYS A 70 -7.549 8.468 -2.274 1.00 0.00 C ATOM 1105 C CYS A 70 -6.486 9.286 -3.016 1.00 0.00 C ATOM 1106 O CYS A 70 -6.259 9.103 -4.200 1.00 0.00 O ATOM 1107 CB CYS A 70 -8.042 9.223 -1.038 1.00 0.00 C ATOM 1108 SG CYS A 70 -8.483 10.918 -1.499 1.00 0.00 S ATOM 0 H CYS A 70 -7.591 6.390 -1.787 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.351 8.282 -2.988 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -8.906 8.715 -0.610 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -7.266 9.234 -0.272 1.00 0.00 H new ATOM 0 HG CYS A 70 -8.904 11.558 -0.449 1.00 0.00 H new ATOM 1114 N SER A 71 -5.821 10.179 -2.331 1.00 0.00 N ATOM 1115 CA SER A 71 -4.768 10.983 -3.002 1.00 0.00 C ATOM 1116 C SER A 71 -3.912 10.049 -3.839 1.00 0.00 C ATOM 1117 O SER A 71 -3.651 10.287 -5.002 1.00 0.00 O ATOM 1118 CB SER A 71 -3.954 11.583 -1.864 1.00 0.00 C ATOM 1119 OG SER A 71 -2.981 12.473 -2.394 1.00 0.00 O ATOM 0 H SER A 71 -5.963 10.383 -1.342 1.00 0.00 H new ATOM 0 HA SER A 71 -5.163 11.757 -3.660 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.610 12.114 -1.174 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.466 10.791 -1.295 1.00 0.00 H new ATOM 0 HG SER A 71 -2.458 12.860 -1.661 1.00 0.00 H new ATOM 1125 N SER A 72 -3.499 8.967 -3.253 1.00 0.00 N ATOM 1126 CA SER A 72 -2.685 7.983 -4.009 1.00 0.00 C ATOM 1127 C SER A 72 -3.433 7.616 -5.291 1.00 0.00 C ATOM 1128 O SER A 72 -2.838 7.431 -6.330 1.00 0.00 O ATOM 1129 CB SER A 72 -2.540 6.780 -3.080 1.00 0.00 C ATOM 1130 OG SER A 72 -1.647 7.107 -2.024 1.00 0.00 O ATOM 0 H SER A 72 -3.690 8.720 -2.282 1.00 0.00 H new ATOM 0 HA SER A 72 -1.705 8.362 -4.299 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.512 6.499 -2.675 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.165 5.920 -3.635 1.00 0.00 H new ATOM 0 HG SER A 72 -1.503 6.318 -1.461 1.00 0.00 H new ATOM 1136 N ALA A 73 -4.739 7.556 -5.250 1.00 0.00 N ATOM 1137 CA ALA A 73 -5.478 7.255 -6.507 1.00 0.00 C ATOM 1138 C ALA A 73 -4.951 8.213 -7.570 1.00 0.00 C ATOM 1139 O ALA A 73 -4.882 7.907 -8.743 1.00 0.00 O ATOM 1140 CB ALA A 73 -6.953 7.524 -6.212 1.00 0.00 C ATOM 0 H ALA A 73 -5.313 7.699 -4.419 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.352 6.229 -6.854 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.546 7.319 -7.103 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.285 6.878 -5.399 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.082 8.567 -5.923 1.00 0.00 H new ATOM 1146 N LYS A 74 -4.534 9.369 -7.136 1.00 0.00 N ATOM 1147 CA LYS A 74 -3.944 10.360 -8.078 1.00 0.00 C ATOM 1148 C LYS A 74 -2.454 10.030 -8.215 1.00 0.00 C ATOM 1149 O LYS A 74 -1.844 10.217 -9.248 1.00 0.00 O ATOM 1150 CB LYS A 74 -4.146 11.720 -7.406 1.00 0.00 C ATOM 1151 CG LYS A 74 -3.741 12.837 -8.371 1.00 0.00 C ATOM 1152 CD LYS A 74 -4.815 13.005 -9.448 1.00 0.00 C ATOM 1153 CE LYS A 74 -4.373 12.288 -10.725 1.00 0.00 C ATOM 1154 NZ LYS A 74 -3.518 13.275 -11.444 1.00 0.00 N ATOM 0 H LYS A 74 -4.577 9.672 -6.163 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.393 10.352 -9.071 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.189 11.840 -7.112 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.550 11.779 -6.495 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.610 13.772 -7.826 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.783 12.601 -8.834 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.763 12.596 -9.098 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.980 14.063 -9.651 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.818 11.378 -10.495 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.231 11.994 -11.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.176 12.856 -12.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.075 14.128 -11.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.706 13.531 -10.847 1.00 0.00 H new ATOM 1168 N ARG A 75 -1.885 9.516 -7.155 1.00 0.00 N ATOM 1169 CA ARG A 75 -0.447 9.126 -7.155 1.00 0.00 C ATOM 1170 C ARG A 75 -0.327 7.631 -6.826 1.00 0.00 C ATOM 1171 O ARG A 75 0.266 7.249 -5.837 1.00 0.00 O ATOM 1172 CB ARG A 75 0.179 9.964 -6.040 1.00 0.00 C ATOM 1173 CG ARG A 75 1.268 10.853 -6.628 1.00 0.00 C ATOM 1174 CD ARG A 75 2.438 10.943 -5.647 1.00 0.00 C ATOM 1175 NE ARG A 75 3.473 11.750 -6.352 1.00 0.00 N ATOM 1176 CZ ARG A 75 3.489 13.050 -6.224 1.00 0.00 C ATOM 1177 NH1 ARG A 75 4.042 13.596 -5.175 1.00 0.00 N ATOM 1178 NH2 ARG A 75 2.951 13.802 -7.144 1.00 0.00 N ATOM 0 H ARG A 75 -2.368 9.348 -6.273 1.00 0.00 H new ATOM 0 HA ARG A 75 0.039 9.293 -8.116 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.584 10.575 -5.557 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.599 9.314 -5.273 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.609 10.447 -7.581 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.871 11.848 -6.829 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.135 11.419 -4.714 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.816 9.953 -5.392 1.00 0.00 H new ATOM 0 HE ARG A 75 4.170 11.287 -6.935 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.462 13.008 -4.455 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.054 14.611 -5.075 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.518 13.375 -7.963 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.963 14.817 -7.045 1.00 0.00 H new ATOM 1192 N GLY A 76 -0.910 6.787 -7.635 1.00 0.00 N ATOM 1193 CA GLY A 76 -0.861 5.321 -7.359 1.00 0.00 C ATOM 1194 C GLY A 76 0.523 4.773 -7.687 1.00 0.00 C ATOM 1195 O GLY A 76 0.830 3.630 -7.410 1.00 0.00 O ATOM 0 H GLY A 76 -1.420 7.051 -8.478 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.097 5.132 -6.312 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.615 4.806 -7.954 1.00 0.00 H new ATOM 1199 N GLY A 77 1.362 5.573 -8.273 1.00 0.00 N ATOM 1200 CA GLY A 77 2.725 5.089 -8.615 1.00 0.00 C ATOM 1201 C GLY A 77 3.466 4.709 -7.331 1.00 0.00 C ATOM 1202 O GLY A 77 3.306 3.622 -6.797 1.00 0.00 O ATOM 0 H GLY A 77 1.165 6.540 -8.530 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.661 4.227 -9.280 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.275 5.864 -9.150 1.00 0.00 H new ATOM 1206 N ASP A 78 4.282 5.590 -6.827 1.00 0.00 N ATOM 1207 CA ASP A 78 5.030 5.259 -5.586 1.00 0.00 C ATOM 1208 C ASP A 78 5.251 6.499 -4.720 1.00 0.00 C ATOM 1209 O ASP A 78 4.715 7.560 -4.972 1.00 0.00 O ATOM 1210 CB ASP A 78 6.370 4.716 -6.078 1.00 0.00 C ATOM 1211 CG ASP A 78 7.179 5.851 -6.708 1.00 0.00 C ATOM 1212 OD1 ASP A 78 6.619 6.572 -7.517 1.00 0.00 O ATOM 1213 OD2 ASP A 78 8.344 5.980 -6.370 1.00 0.00 O ATOM 0 H ASP A 78 4.462 6.516 -7.216 1.00 0.00 H new ATOM 0 HA ASP A 78 4.485 4.547 -4.966 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.924 4.277 -5.248 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.207 3.922 -6.807 1.00 0.00 H new ATOM 1218 N LEU A 79 6.056 6.362 -3.702 1.00 0.00 N ATOM 1219 CA LEU A 79 6.348 7.512 -2.804 1.00 0.00 C ATOM 1220 C LEU A 79 7.625 8.196 -3.281 1.00 0.00 C ATOM 1221 O LEU A 79 7.618 9.316 -3.754 1.00 0.00 O ATOM 1222 CB LEU A 79 6.576 6.889 -1.420 1.00 0.00 C ATOM 1223 CG LEU A 79 5.259 6.349 -0.853 1.00 0.00 C ATOM 1224 CD1 LEU A 79 4.753 5.195 -1.722 1.00 0.00 C ATOM 1225 CD2 LEU A 79 5.491 5.837 0.571 1.00 0.00 C ATOM 0 H LEU A 79 6.528 5.493 -3.453 1.00 0.00 H new ATOM 0 HA LEU A 79 5.548 8.252 -2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.306 6.082 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.992 7.635 -0.743 1.00 0.00 H new ATOM 0 HG LEU A 79 4.519 7.149 -0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.816 4.815 -1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.588 5.551 -2.739 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.494 4.396 -1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.555 5.452 0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.234 5.040 0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.849 6.654 1.198 1.00 0.00 H new ATOM 1237 N GLY A 80 8.721 7.509 -3.157 1.00 0.00 N ATOM 1238 CA GLY A 80 10.025 8.065 -3.590 1.00 0.00 C ATOM 1239 C GLY A 80 11.086 7.621 -2.596 1.00 0.00 C ATOM 1240 O GLY A 80 11.704 6.587 -2.754 1.00 0.00 O ATOM 0 H GLY A 80 8.768 6.568 -2.766 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.273 7.715 -4.592 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.978 9.153 -3.635 1.00 0.00 H new ATOM 1244 N SER A 81 11.290 8.390 -1.566 1.00 0.00 N ATOM 1245 CA SER A 81 12.311 8.015 -0.553 1.00 0.00 C ATOM 1246 C SER A 81 11.947 8.569 0.825 1.00 0.00 C ATOM 1247 O SER A 81 11.678 9.743 0.988 1.00 0.00 O ATOM 1248 CB SER A 81 13.598 8.646 -1.055 1.00 0.00 C ATOM 1249 OG SER A 81 13.816 9.880 -0.384 1.00 0.00 O ATOM 0 H SER A 81 10.794 9.262 -1.382 1.00 0.00 H new ATOM 0 HA SER A 81 12.392 6.934 -0.437 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.437 7.973 -0.881 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.539 8.811 -2.131 1.00 0.00 H new ATOM 0 HG SER A 81 13.067 10.486 -0.562 1.00 0.00 H new ATOM 1255 N PHE A 82 11.951 7.727 1.818 1.00 0.00 N ATOM 1256 CA PHE A 82 11.623 8.183 3.196 1.00 0.00 C ATOM 1257 C PHE A 82 12.328 7.271 4.203 1.00 0.00 C ATOM 1258 O PHE A 82 13.350 6.687 3.905 1.00 0.00 O ATOM 1259 CB PHE A 82 10.101 8.062 3.305 1.00 0.00 C ATOM 1260 CG PHE A 82 9.661 6.714 2.785 1.00 0.00 C ATOM 1261 CD1 PHE A 82 9.584 6.487 1.406 1.00 0.00 C ATOM 1262 CD2 PHE A 82 9.331 5.692 3.681 1.00 0.00 C ATOM 1263 CE1 PHE A 82 9.178 5.240 0.923 1.00 0.00 C ATOM 1264 CE2 PHE A 82 8.923 4.444 3.198 1.00 0.00 C ATOM 1265 CZ PHE A 82 8.847 4.218 1.818 1.00 0.00 C ATOM 0 H PHE A 82 12.169 6.734 1.734 1.00 0.00 H new ATOM 0 HA PHE A 82 11.949 9.203 3.401 1.00 0.00 H new ATOM 0 HB2 PHE A 82 9.790 8.182 4.343 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.621 8.857 2.735 1.00 0.00 H new ATOM 0 HD1 PHE A 82 9.839 7.276 0.714 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.391 5.866 4.745 1.00 0.00 H new ATOM 0 HE1 PHE A 82 9.120 5.066 -0.141 1.00 0.00 H new ATOM 0 HE2 PHE A 82 8.667 3.655 3.889 1.00 0.00 H new ATOM 0 HZ PHE A 82 8.533 3.254 1.445 1.00 0.00 H new ATOM 1275 N GLY A 83 11.803 7.136 5.387 1.00 0.00 N ATOM 1276 CA GLY A 83 12.467 6.252 6.385 1.00 0.00 C ATOM 1277 C GLY A 83 12.080 6.693 7.797 1.00 0.00 C ATOM 1278 O GLY A 83 11.121 6.213 8.367 1.00 0.00 O ATOM 0 H GLY A 83 10.950 7.595 5.706 1.00 0.00 H new ATOM 0 HA2 GLY A 83 12.170 5.216 6.222 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.549 6.297 6.263 1.00 0.00 H new ATOM 1282 N ARG A 84 12.817 7.605 8.366 1.00 0.00 N ATOM 1283 CA ARG A 84 12.487 8.076 9.742 1.00 0.00 C ATOM 1284 C ARG A 84 11.264 8.999 9.704 1.00 0.00 C ATOM 1285 O ARG A 84 11.387 10.202 9.587 1.00 0.00 O ATOM 1286 CB ARG A 84 13.726 8.842 10.203 1.00 0.00 C ATOM 1287 CG ARG A 84 14.717 7.872 10.851 1.00 0.00 C ATOM 1288 CD ARG A 84 15.530 7.161 9.764 1.00 0.00 C ATOM 1289 NE ARG A 84 16.595 8.131 9.390 1.00 0.00 N ATOM 1290 CZ ARG A 84 17.687 8.202 10.101 1.00 0.00 C ATOM 1291 NH1 ARG A 84 18.512 7.191 10.132 1.00 0.00 N ATOM 1292 NH2 ARG A 84 17.951 9.281 10.785 1.00 0.00 N ATOM 0 H ARG A 84 13.633 8.045 7.940 1.00 0.00 H new ATOM 0 HA ARG A 84 12.243 7.254 10.415 1.00 0.00 H new ATOM 0 HB2 ARG A 84 14.193 9.342 9.355 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.443 9.618 10.914 1.00 0.00 H new ATOM 0 HG2 ARG A 84 15.384 8.413 11.522 1.00 0.00 H new ATOM 0 HG3 ARG A 84 14.182 7.140 11.456 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.956 6.229 10.135 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.907 6.907 8.906 1.00 0.00 H new ATOM 0 HE ARG A 84 16.472 8.739 8.580 1.00 0.00 H new ATOM 0 HH11 ARG A 84 18.303 6.346 9.601 1.00 0.00 H new ATOM 0 HH12 ARG A 84 19.366 7.246 10.688 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.304 10.069 10.764 1.00 0.00 H new ATOM 0 HH22 ARG A 84 18.805 9.336 11.341 1.00 0.00 H new ATOM 1306 N GLY A 85 10.085 8.445 9.800 1.00 0.00 N ATOM 1307 CA GLY A 85 8.855 9.290 9.767 1.00 0.00 C ATOM 1308 C GLY A 85 8.075 9.010 8.479 1.00 0.00 C ATOM 1309 O GLY A 85 8.010 7.890 8.015 1.00 0.00 O ATOM 0 H GLY A 85 9.920 7.443 9.900 1.00 0.00 H new ATOM 0 HA2 GLY A 85 8.232 9.077 10.635 1.00 0.00 H new ATOM 0 HA3 GLY A 85 9.125 10.345 9.819 1.00 0.00 H new ATOM 1313 N GLN A 86 7.483 10.021 7.898 1.00 0.00 N ATOM 1314 CA GLN A 86 6.706 9.817 6.636 1.00 0.00 C ATOM 1315 C GLN A 86 5.639 8.739 6.821 1.00 0.00 C ATOM 1316 O GLN A 86 4.483 9.014 7.077 1.00 0.00 O ATOM 1317 CB GLN A 86 7.723 9.322 5.607 1.00 0.00 C ATOM 1318 CG GLN A 86 8.599 10.462 5.118 1.00 0.00 C ATOM 1319 CD GLN A 86 7.735 11.532 4.449 1.00 0.00 C ATOM 1320 OE1 GLN A 86 6.540 11.367 4.310 1.00 0.00 O ATOM 1321 NE2 GLN A 86 8.296 12.632 4.025 1.00 0.00 N ATOM 0 H GLN A 86 7.503 10.981 8.242 1.00 0.00 H new ATOM 0 HA GLN A 86 6.205 10.737 6.335 1.00 0.00 H new ATOM 0 HB2 GLN A 86 8.345 8.544 6.050 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.202 8.871 4.763 1.00 0.00 H new ATOM 0 HG2 GLN A 86 9.147 10.895 5.954 1.00 0.00 H new ATOM 0 HG3 GLN A 86 9.339 10.086 4.412 1.00 0.00 H new ATOM 0 HE21 GLN A 86 9.300 12.770 4.142 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.730 13.353 3.577 1.00 0.00 H new ATOM 1330 N MET A 87 6.037 7.509 6.662 1.00 0.00 N ATOM 1331 CA MET A 87 5.097 6.368 6.785 1.00 0.00 C ATOM 1332 C MET A 87 5.108 5.821 8.217 1.00 0.00 C ATOM 1333 O MET A 87 4.892 4.648 8.447 1.00 0.00 O ATOM 1334 CB MET A 87 5.672 5.353 5.798 1.00 0.00 C ATOM 1335 CG MET A 87 4.685 5.129 4.646 1.00 0.00 C ATOM 1336 SD MET A 87 4.134 6.726 3.987 1.00 0.00 S ATOM 1337 CE MET A 87 5.770 7.423 3.650 1.00 0.00 C ATOM 0 H MET A 87 6.998 7.243 6.447 1.00 0.00 H new ATOM 0 HA MET A 87 4.059 6.625 6.575 1.00 0.00 H new ATOM 0 HB2 MET A 87 6.625 5.711 5.408 1.00 0.00 H new ATOM 0 HB3 MET A 87 5.871 4.410 6.307 1.00 0.00 H new ATOM 0 HG2 MET A 87 5.159 4.544 3.858 1.00 0.00 H new ATOM 0 HG3 MET A 87 3.827 4.555 4.997 1.00 0.00 H new ATOM 0 HE1 MET A 87 5.721 8.053 2.762 1.00 0.00 H new ATOM 0 HE2 MET A 87 6.093 8.021 4.502 1.00 0.00 H new ATOM 0 HE3 MET A 87 6.482 6.615 3.483 1.00 0.00 H new ATOM 1347 N GLN A 88 5.357 6.667 9.181 1.00 0.00 N ATOM 1348 CA GLN A 88 5.383 6.204 10.600 1.00 0.00 C ATOM 1349 C GLN A 88 6.302 4.981 10.743 1.00 0.00 C ATOM 1350 O GLN A 88 7.155 4.737 9.912 1.00 0.00 O ATOM 1351 CB GLN A 88 3.929 5.849 10.925 1.00 0.00 C ATOM 1352 CG GLN A 88 3.177 7.111 11.357 1.00 0.00 C ATOM 1353 CD GLN A 88 3.036 7.127 12.881 1.00 0.00 C ATOM 1354 OE1 GLN A 88 4.015 7.038 13.594 1.00 0.00 O ATOM 1355 NE2 GLN A 88 1.850 7.239 13.414 1.00 0.00 N ATOM 0 H GLN A 88 5.544 7.661 9.047 1.00 0.00 H new ATOM 0 HA GLN A 88 5.772 6.961 11.281 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.448 5.408 10.052 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.895 5.103 11.719 1.00 0.00 H new ATOM 0 HG2 GLN A 88 3.713 7.999 11.022 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.192 7.138 10.890 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.027 7.314 12.816 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.746 7.252 14.429 1.00 0.00 H new ATOM 1364 N LYS A 89 6.148 4.221 11.795 1.00 0.00 N ATOM 1365 CA LYS A 89 7.027 3.029 11.991 1.00 0.00 C ATOM 1366 C LYS A 89 6.434 1.724 11.399 1.00 0.00 C ATOM 1367 O LYS A 89 7.168 0.774 11.210 1.00 0.00 O ATOM 1368 CB LYS A 89 7.189 2.913 13.511 1.00 0.00 C ATOM 1369 CG LYS A 89 6.018 2.130 14.112 1.00 0.00 C ATOM 1370 CD LYS A 89 6.152 2.111 15.636 1.00 0.00 C ATOM 1371 CE LYS A 89 6.077 3.543 16.173 1.00 0.00 C ATOM 1372 NZ LYS A 89 5.700 3.402 17.608 1.00 0.00 N ATOM 0 H LYS A 89 5.453 4.373 12.526 1.00 0.00 H new ATOM 0 HA LYS A 89 7.974 3.160 11.467 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.129 2.413 13.746 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.237 3.907 13.955 1.00 0.00 H new ATOM 0 HG2 LYS A 89 5.072 2.590 13.824 1.00 0.00 H new ATOM 0 HG3 LYS A 89 6.009 1.112 13.723 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.359 1.505 16.074 1.00 0.00 H new ATOM 0 HD3 LYS A 89 7.098 1.653 15.923 1.00 0.00 H new ATOM 0 HE2 LYS A 89 7.033 4.055 16.065 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.338 4.130 15.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.630 4.344 18.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 4.782 2.918 17.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.425 2.845 18.104 1.00 0.00 H new ATOM 1386 N PRO A 90 5.143 1.684 11.125 1.00 0.00 N ATOM 1387 CA PRO A 90 4.549 0.444 10.565 1.00 0.00 C ATOM 1388 C PRO A 90 4.961 0.261 9.099 1.00 0.00 C ATOM 1389 O PRO A 90 5.777 -0.582 8.781 1.00 0.00 O ATOM 1390 CB PRO A 90 3.045 0.665 10.701 1.00 0.00 C ATOM 1391 CG PRO A 90 2.868 2.148 10.739 1.00 0.00 C ATOM 1392 CD PRO A 90 4.136 2.739 11.295 1.00 0.00 C ATOM 0 HA PRO A 90 4.881 -0.458 11.078 1.00 0.00 H new ATOM 0 HB2 PRO A 90 2.505 0.226 9.862 1.00 0.00 H new ATOM 0 HB3 PRO A 90 2.659 0.199 11.608 1.00 0.00 H new ATOM 0 HG2 PRO A 90 2.669 2.536 9.740 1.00 0.00 H new ATOM 0 HG3 PRO A 90 2.014 2.417 11.361 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.418 3.646 10.760 1.00 0.00 H new ATOM 0 HD3 PRO A 90 4.020 3.011 12.344 1.00 0.00 H new ATOM 1400 N PHE A 91 4.413 1.036 8.200 1.00 0.00 N ATOM 1401 CA PHE A 91 4.797 0.884 6.766 1.00 0.00 C ATOM 1402 C PHE A 91 6.314 0.754 6.652 1.00 0.00 C ATOM 1403 O PHE A 91 6.829 -0.170 6.057 1.00 0.00 O ATOM 1404 CB PHE A 91 4.317 2.166 6.071 1.00 0.00 C ATOM 1405 CG PHE A 91 4.824 2.189 4.641 1.00 0.00 C ATOM 1406 CD1 PHE A 91 6.194 2.333 4.378 1.00 0.00 C ATOM 1407 CD2 PHE A 91 3.927 2.045 3.576 1.00 0.00 C ATOM 1408 CE1 PHE A 91 6.662 2.329 3.065 1.00 0.00 C ATOM 1409 CE2 PHE A 91 4.400 2.048 2.255 1.00 0.00 C ATOM 1410 CZ PHE A 91 5.767 2.188 2.002 1.00 0.00 C ATOM 0 H PHE A 91 3.722 1.761 8.394 1.00 0.00 H new ATOM 0 HA PHE A 91 4.355 -0.004 6.314 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.228 2.212 6.082 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.679 3.042 6.610 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.889 2.447 5.196 1.00 0.00 H new ATOM 0 HD2 PHE A 91 2.871 1.932 3.771 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.719 2.435 2.869 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.707 1.942 1.433 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.131 2.187 0.985 1.00 0.00 H new ATOM 1420 N GLU A 92 7.029 1.688 7.209 1.00 0.00 N ATOM 1421 CA GLU A 92 8.516 1.645 7.130 1.00 0.00 C ATOM 1422 C GLU A 92 9.016 0.218 7.341 1.00 0.00 C ATOM 1423 O GLU A 92 9.580 -0.393 6.455 1.00 0.00 O ATOM 1424 CB GLU A 92 8.990 2.558 8.260 1.00 0.00 C ATOM 1425 CG GLU A 92 10.301 3.233 7.859 1.00 0.00 C ATOM 1426 CD GLU A 92 11.362 2.952 8.925 1.00 0.00 C ATOM 1427 OE1 GLU A 92 11.545 1.793 9.258 1.00 0.00 O ATOM 1428 OE2 GLU A 92 11.970 3.901 9.392 1.00 0.00 O ATOM 0 H GLU A 92 6.647 2.484 7.719 1.00 0.00 H new ATOM 0 HA GLU A 92 8.892 1.967 6.159 1.00 0.00 H new ATOM 0 HB2 GLU A 92 8.232 3.312 8.474 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.132 1.980 9.173 1.00 0.00 H new ATOM 0 HG2 GLU A 92 10.634 2.859 6.891 1.00 0.00 H new ATOM 0 HG3 GLU A 92 10.152 4.307 7.752 1.00 0.00 H new ATOM 1435 N GLU A 93 8.809 -0.318 8.507 1.00 0.00 N ATOM 1436 CA GLU A 93 9.264 -1.708 8.779 1.00 0.00 C ATOM 1437 C GLU A 93 8.903 -2.610 7.595 1.00 0.00 C ATOM 1438 O GLU A 93 9.535 -3.619 7.355 1.00 0.00 O ATOM 1439 CB GLU A 93 8.511 -2.117 10.052 1.00 0.00 C ATOM 1440 CG GLU A 93 8.333 -3.638 10.104 1.00 0.00 C ATOM 1441 CD GLU A 93 9.702 -4.316 10.058 1.00 0.00 C ATOM 1442 OE1 GLU A 93 10.694 -3.611 10.134 1.00 0.00 O ATOM 1443 OE2 GLU A 93 9.734 -5.531 9.948 1.00 0.00 O ATOM 0 H GLU A 93 8.343 0.147 9.287 1.00 0.00 H new ATOM 0 HA GLU A 93 10.343 -1.790 8.911 1.00 0.00 H new ATOM 0 HB2 GLU A 93 9.060 -1.779 10.931 1.00 0.00 H new ATOM 0 HB3 GLU A 93 7.536 -1.630 10.078 1.00 0.00 H new ATOM 0 HG2 GLU A 93 7.806 -3.922 11.015 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.722 -3.972 9.265 1.00 0.00 H new ATOM 1450 N ALA A 94 7.892 -2.250 6.852 1.00 0.00 N ATOM 1451 CA ALA A 94 7.498 -3.085 5.682 1.00 0.00 C ATOM 1452 C ALA A 94 8.556 -2.996 4.588 1.00 0.00 C ATOM 1453 O ALA A 94 9.135 -3.986 4.188 1.00 0.00 O ATOM 1454 CB ALA A 94 6.178 -2.490 5.192 1.00 0.00 C ATOM 0 H ALA A 94 7.324 -1.417 7.004 1.00 0.00 H new ATOM 0 HA ALA A 94 7.399 -4.138 5.946 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.823 -3.053 4.329 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.437 -2.543 5.990 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.331 -1.449 4.908 1.00 0.00 H new ATOM 1460 N THR A 95 8.817 -1.818 4.102 1.00 0.00 N ATOM 1461 CA THR A 95 9.844 -1.677 3.035 1.00 0.00 C ATOM 1462 C THR A 95 11.222 -1.964 3.626 1.00 0.00 C ATOM 1463 O THR A 95 12.124 -2.413 2.947 1.00 0.00 O ATOM 1464 CB THR A 95 9.745 -0.224 2.566 1.00 0.00 C ATOM 1465 OG1 THR A 95 8.396 0.075 2.238 1.00 0.00 O ATOM 1466 CG2 THR A 95 10.627 -0.021 1.333 1.00 0.00 C ATOM 0 H THR A 95 8.367 -0.951 4.395 1.00 0.00 H new ATOM 0 HA THR A 95 9.691 -2.369 2.207 1.00 0.00 H new ATOM 0 HB THR A 95 10.082 0.438 3.364 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.036 0.714 2.887 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.555 1.015 1.001 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.663 -0.250 1.585 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.293 -0.683 0.534 1.00 0.00 H new ATOM 1474 N TYR A 96 11.383 -1.722 4.898 1.00 0.00 N ATOM 1475 CA TYR A 96 12.692 -1.994 5.547 1.00 0.00 C ATOM 1476 C TYR A 96 12.845 -3.499 5.769 1.00 0.00 C ATOM 1477 O TYR A 96 13.934 -4.010 5.937 1.00 0.00 O ATOM 1478 CB TYR A 96 12.622 -1.266 6.889 1.00 0.00 C ATOM 1479 CG TYR A 96 13.255 0.100 6.766 1.00 0.00 C ATOM 1480 CD1 TYR A 96 14.646 0.227 6.654 1.00 0.00 C ATOM 1481 CD2 TYR A 96 12.448 1.243 6.767 1.00 0.00 C ATOM 1482 CE1 TYR A 96 15.226 1.499 6.543 1.00 0.00 C ATOM 1483 CE2 TYR A 96 13.027 2.512 6.658 1.00 0.00 C ATOM 1484 CZ TYR A 96 14.415 2.640 6.546 1.00 0.00 C ATOM 1485 OH TYR A 96 14.985 3.893 6.438 1.00 0.00 O ATOM 0 H TYR A 96 10.662 -1.347 5.515 1.00 0.00 H new ATOM 0 HA TYR A 96 13.538 -1.661 4.946 1.00 0.00 H new ATOM 0 HB2 TYR A 96 11.584 -1.168 7.206 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.136 -1.847 7.655 1.00 0.00 H new ATOM 0 HD1 TYR A 96 15.271 -0.654 6.653 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.376 1.145 6.852 1.00 0.00 H new ATOM 0 HE1 TYR A 96 16.298 1.598 6.455 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.402 3.393 6.660 1.00 0.00 H new ATOM 0 HH TYR A 96 15.912 3.805 6.133 1.00 0.00 H new ATOM 1495 N ALA A 97 11.748 -4.207 5.782 1.00 0.00 N ATOM 1496 CA ALA A 97 11.805 -5.680 6.004 1.00 0.00 C ATOM 1497 C ALA A 97 11.954 -6.431 4.674 1.00 0.00 C ATOM 1498 O ALA A 97 12.805 -7.288 4.532 1.00 0.00 O ATOM 1499 CB ALA A 97 10.470 -6.024 6.664 1.00 0.00 C ATOM 0 H ALA A 97 10.811 -3.827 5.648 1.00 0.00 H new ATOM 0 HA ALA A 97 12.660 -5.967 6.617 1.00 0.00 H new ATOM 0 HB1 ALA A 97 10.428 -7.095 6.863 1.00 0.00 H new ATOM 0 HB2 ALA A 97 10.376 -5.477 7.602 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.653 -5.746 5.998 1.00 0.00 H new ATOM 1505 N LEU A 98 11.132 -6.131 3.702 1.00 0.00 N ATOM 1506 CA LEU A 98 11.240 -6.852 2.396 1.00 0.00 C ATOM 1507 C LEU A 98 12.082 -6.051 1.399 1.00 0.00 C ATOM 1508 O LEU A 98 12.282 -4.862 1.551 1.00 0.00 O ATOM 1509 CB LEU A 98 9.802 -6.996 1.892 1.00 0.00 C ATOM 1510 CG LEU A 98 9.701 -8.226 0.988 1.00 0.00 C ATOM 1511 CD1 LEU A 98 8.358 -8.922 1.217 1.00 0.00 C ATOM 1512 CD2 LEU A 98 9.805 -7.793 -0.476 1.00 0.00 C ATOM 0 H LEU A 98 10.397 -5.425 3.753 1.00 0.00 H new ATOM 0 HA LEU A 98 11.730 -7.819 2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.118 -7.093 2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.506 -6.102 1.343 1.00 0.00 H new ATOM 0 HG LEU A 98 10.512 -8.915 1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.288 -9.798 0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.282 -9.232 2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.547 -8.233 0.983 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.733 -8.669 -1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.994 -7.103 -0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.762 -7.298 -0.642 1.00 0.00 H new ATOM 1524 N LYS A 99 12.573 -6.698 0.376 1.00 0.00 N ATOM 1525 CA LYS A 99 13.400 -5.982 -0.637 1.00 0.00 C ATOM 1526 C LYS A 99 12.573 -5.714 -1.898 1.00 0.00 C ATOM 1527 O LYS A 99 12.199 -4.593 -2.179 1.00 0.00 O ATOM 1528 CB LYS A 99 14.557 -6.932 -0.951 1.00 0.00 C ATOM 1529 CG LYS A 99 15.528 -6.974 0.232 1.00 0.00 C ATOM 1530 CD LYS A 99 16.724 -7.860 -0.125 1.00 0.00 C ATOM 1531 CE LYS A 99 17.943 -6.982 -0.424 1.00 0.00 C ATOM 1532 NZ LYS A 99 19.027 -7.939 -0.782 1.00 0.00 N ATOM 0 H LYS A 99 12.437 -7.693 0.198 1.00 0.00 H new ATOM 0 HA LYS A 99 13.752 -5.017 -0.273 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.174 -7.932 -1.155 1.00 0.00 H new ATOM 0 HB3 LYS A 99 15.078 -6.601 -1.850 1.00 0.00 H new ATOM 0 HG2 LYS A 99 15.867 -5.967 0.475 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.024 -7.363 1.117 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.945 -8.539 0.699 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.486 -8.477 -0.991 1.00 0.00 H new ATOM 0 HE2 LYS A 99 17.741 -6.291 -1.242 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.218 -6.380 0.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 19.897 -7.412 -1.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 19.202 -8.580 0.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.740 -8.494 -1.614 1.00 0.00 H new ATOM 1546 N VAL A 100 12.281 -6.735 -2.660 1.00 0.00 N ATOM 1547 CA VAL A 100 11.476 -6.530 -3.898 1.00 0.00 C ATOM 1548 C VAL A 100 11.075 -7.872 -4.516 1.00 0.00 C ATOM 1549 O VAL A 100 10.026 -7.999 -5.118 1.00 0.00 O ATOM 1550 CB VAL A 100 12.392 -5.757 -4.847 1.00 0.00 C ATOM 1551 CG1 VAL A 100 13.581 -6.631 -5.251 1.00 0.00 C ATOM 1552 CG2 VAL A 100 11.604 -5.370 -6.096 1.00 0.00 C ATOM 0 H VAL A 100 12.564 -7.698 -2.479 1.00 0.00 H new ATOM 0 HA VAL A 100 10.550 -5.993 -3.693 1.00 0.00 H new ATOM 0 HB VAL A 100 12.760 -4.862 -4.345 1.00 0.00 H new ATOM 0 HG11 VAL A 100 14.229 -6.074 -5.927 1.00 0.00 H new ATOM 0 HG12 VAL A 100 14.143 -6.915 -4.361 1.00 0.00 H new ATOM 0 HG13 VAL A 100 13.219 -7.528 -5.753 1.00 0.00 H new ATOM 0 HG21 VAL A 100 12.251 -4.818 -6.778 1.00 0.00 H new ATOM 0 HG22 VAL A 100 11.240 -6.271 -6.590 1.00 0.00 H new ATOM 0 HG23 VAL A 100 10.758 -4.744 -5.813 1.00 0.00 H new ATOM 1562 N GLY A 101 11.898 -8.873 -4.380 1.00 0.00 N ATOM 1563 CA GLY A 101 11.558 -10.202 -4.966 1.00 0.00 C ATOM 1564 C GLY A 101 10.297 -10.755 -4.299 1.00 0.00 C ATOM 1565 O GLY A 101 9.490 -11.415 -4.924 1.00 0.00 O ATOM 0 H GLY A 101 12.791 -8.830 -3.889 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.400 -10.106 -6.040 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.388 -10.895 -4.826 1.00 0.00 H new ATOM 1569 N ASP A 102 10.122 -10.495 -3.033 1.00 0.00 N ATOM 1570 CA ASP A 102 8.914 -11.011 -2.325 1.00 0.00 C ATOM 1571 C ASP A 102 7.799 -9.962 -2.328 1.00 0.00 C ATOM 1572 O ASP A 102 6.637 -10.279 -2.169 1.00 0.00 O ATOM 1573 CB ASP A 102 9.377 -11.278 -0.893 1.00 0.00 C ATOM 1574 CG ASP A 102 9.771 -12.749 -0.747 1.00 0.00 C ATOM 1575 OD1 ASP A 102 8.885 -13.562 -0.542 1.00 0.00 O ATOM 1576 OD2 ASP A 102 10.953 -13.037 -0.841 1.00 0.00 O ATOM 0 H ASP A 102 10.762 -9.948 -2.457 1.00 0.00 H new ATOM 0 HA ASP A 102 8.514 -11.904 -2.805 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.225 -10.638 -0.649 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.580 -11.033 -0.191 1.00 0.00 H new ATOM 1581 N ILE A 103 8.147 -8.718 -2.493 1.00 0.00 N ATOM 1582 CA ILE A 103 7.111 -7.643 -2.490 1.00 0.00 C ATOM 1583 C ILE A 103 6.422 -7.592 -1.125 1.00 0.00 C ATOM 1584 O ILE A 103 5.806 -8.545 -0.691 1.00 0.00 O ATOM 1585 CB ILE A 103 6.119 -8.027 -3.588 1.00 0.00 C ATOM 1586 CG1 ILE A 103 6.891 -8.371 -4.862 1.00 0.00 C ATOM 1587 CG2 ILE A 103 5.178 -6.851 -3.864 1.00 0.00 C ATOM 1588 CD1 ILE A 103 5.951 -9.038 -5.870 1.00 0.00 C ATOM 0 H ILE A 103 9.105 -8.396 -2.630 1.00 0.00 H new ATOM 0 HA ILE A 103 7.537 -6.656 -2.671 1.00 0.00 H new ATOM 0 HB ILE A 103 5.534 -8.889 -3.268 1.00 0.00 H new ATOM 0 HG12 ILE A 103 7.321 -7.467 -5.294 1.00 0.00 H new ATOM 0 HG13 ILE A 103 7.721 -9.038 -4.627 1.00 0.00 H new ATOM 0 HG21 ILE A 103 4.471 -7.126 -4.647 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.632 -6.601 -2.954 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.760 -5.988 -4.187 1.00 0.00 H new ATOM 0 HD11 ILE A 103 6.504 -9.282 -6.777 1.00 0.00 H new ATOM 0 HD12 ILE A 103 5.542 -9.951 -5.437 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.136 -8.356 -6.114 1.00 0.00 H new ATOM 1600 N SER A 104 6.536 -6.485 -0.448 1.00 0.00 N ATOM 1601 CA SER A 104 5.905 -6.346 0.900 1.00 0.00 C ATOM 1602 C SER A 104 4.546 -7.053 0.945 1.00 0.00 C ATOM 1603 O SER A 104 3.829 -7.109 -0.034 1.00 0.00 O ATOM 1604 CB SER A 104 5.731 -4.842 1.094 1.00 0.00 C ATOM 1605 OG SER A 104 4.645 -4.604 1.980 1.00 0.00 O ATOM 0 H SER A 104 7.043 -5.661 -0.771 1.00 0.00 H new ATOM 0 HA SER A 104 6.513 -6.799 1.683 1.00 0.00 H new ATOM 0 HB2 SER A 104 6.646 -4.408 1.497 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.545 -4.359 0.135 1.00 0.00 H new ATOM 0 HG SER A 104 4.804 -3.774 2.477 1.00 0.00 H new ATOM 1611 N ASP A 105 4.188 -7.592 2.081 1.00 0.00 N ATOM 1612 CA ASP A 105 2.877 -8.296 2.199 1.00 0.00 C ATOM 1613 C ASP A 105 1.922 -7.482 3.077 1.00 0.00 C ATOM 1614 O ASP A 105 2.357 -6.727 3.922 1.00 0.00 O ATOM 1615 CB ASP A 105 3.204 -9.635 2.860 1.00 0.00 C ATOM 1616 CG ASP A 105 4.089 -9.399 4.086 1.00 0.00 C ATOM 1617 OD1 ASP A 105 4.060 -8.298 4.611 1.00 0.00 O ATOM 1618 OD2 ASP A 105 4.782 -10.323 4.478 1.00 0.00 O ATOM 0 H ASP A 105 4.748 -7.575 2.933 1.00 0.00 H new ATOM 0 HA ASP A 105 2.389 -8.429 1.234 1.00 0.00 H new ATOM 0 HB2 ASP A 105 2.285 -10.141 3.154 1.00 0.00 H new ATOM 0 HB3 ASP A 105 3.714 -10.287 2.151 1.00 0.00 H new ATOM 1623 N ILE A 106 0.629 -7.640 2.866 1.00 0.00 N ATOM 1624 CA ILE A 106 -0.411 -6.889 3.662 1.00 0.00 C ATOM 1625 C ILE A 106 0.210 -5.811 4.555 1.00 0.00 C ATOM 1626 O ILE A 106 0.826 -6.104 5.560 1.00 0.00 O ATOM 1627 CB ILE A 106 -1.135 -7.930 4.528 1.00 0.00 C ATOM 1628 CG1 ILE A 106 -0.169 -9.074 4.929 1.00 0.00 C ATOM 1629 CG2 ILE A 106 -2.350 -8.467 3.761 1.00 0.00 C ATOM 1630 CD1 ILE A 106 -0.519 -10.385 4.209 1.00 0.00 C ATOM 0 H ILE A 106 0.243 -8.270 2.162 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.092 -6.374 2.984 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.481 -7.461 5.449 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.855 -8.788 4.689 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.212 -9.227 6.007 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.868 -9.207 4.372 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.029 -7.645 3.533 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.018 -8.931 2.832 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.179 -11.165 4.514 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.534 -10.684 4.470 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.450 -10.238 3.131 1.00 0.00 H new ATOM 1642 N VAL A 107 0.050 -4.567 4.198 1.00 0.00 N ATOM 1643 CA VAL A 107 0.633 -3.477 5.031 1.00 0.00 C ATOM 1644 C VAL A 107 -0.483 -2.711 5.747 1.00 0.00 C ATOM 1645 O VAL A 107 -0.688 -1.538 5.518 1.00 0.00 O ATOM 1646 CB VAL A 107 1.370 -2.560 4.050 1.00 0.00 C ATOM 1647 CG1 VAL A 107 2.297 -1.624 4.826 1.00 0.00 C ATOM 1648 CG2 VAL A 107 2.207 -3.396 3.076 1.00 0.00 C ATOM 0 H VAL A 107 -0.457 -4.258 3.369 1.00 0.00 H new ATOM 0 HA VAL A 107 1.303 -3.863 5.799 1.00 0.00 H new ATOM 0 HB VAL A 107 0.637 -1.979 3.491 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.822 -0.971 4.129 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.709 -1.019 5.516 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.022 -2.213 5.387 1.00 0.00 H new ATOM 0 HG21 VAL A 107 2.727 -2.735 2.383 1.00 0.00 H new ATOM 0 HG22 VAL A 107 2.937 -3.983 3.634 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.554 -4.066 2.517 1.00 0.00 H new ATOM 1658 N ASP A 108 -1.209 -3.368 6.612 1.00 0.00 N ATOM 1659 CA ASP A 108 -2.312 -2.674 7.343 1.00 0.00 C ATOM 1660 C ASP A 108 -1.761 -1.480 8.123 1.00 0.00 C ATOM 1661 O ASP A 108 -1.215 -1.620 9.199 1.00 0.00 O ATOM 1662 CB ASP A 108 -2.904 -3.723 8.285 1.00 0.00 C ATOM 1663 CG ASP A 108 -1.780 -4.518 8.953 1.00 0.00 C ATOM 1664 OD1 ASP A 108 -1.155 -3.981 9.852 1.00 0.00 O ATOM 1665 OD2 ASP A 108 -1.563 -5.649 8.551 1.00 0.00 O ATOM 0 H ASP A 108 -1.087 -4.354 6.845 1.00 0.00 H new ATOM 0 HA ASP A 108 -3.069 -2.281 6.665 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -3.518 -3.238 9.044 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -3.557 -4.396 7.729 1.00 0.00 H new ATOM 1670 N THR A 109 -1.909 -0.303 7.580 1.00 0.00 N ATOM 1671 CA THR A 109 -1.408 0.918 8.271 1.00 0.00 C ATOM 1672 C THR A 109 -2.456 2.023 8.164 1.00 0.00 C ATOM 1673 O THR A 109 -3.616 1.761 7.912 1.00 0.00 O ATOM 1674 CB THR A 109 -0.136 1.316 7.516 1.00 0.00 C ATOM 1675 OG1 THR A 109 0.230 0.280 6.617 1.00 0.00 O ATOM 1676 CG2 THR A 109 0.999 1.548 8.509 1.00 0.00 C ATOM 0 H THR A 109 -2.359 -0.134 6.680 1.00 0.00 H new ATOM 0 HA THR A 109 -1.210 0.749 9.329 1.00 0.00 H new ATOM 0 HB THR A 109 -0.324 2.233 6.957 1.00 0.00 H new ATOM 0 HG1 THR A 109 -0.515 0.098 6.007 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.903 1.831 7.969 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.723 2.347 9.197 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.184 0.632 9.071 1.00 0.00 H new ATOM 1684 N ASP A 110 -2.064 3.253 8.336 1.00 0.00 N ATOM 1685 CA ASP A 110 -3.055 4.358 8.223 1.00 0.00 C ATOM 1686 C ASP A 110 -3.926 4.124 6.987 1.00 0.00 C ATOM 1687 O ASP A 110 -3.515 3.472 6.048 1.00 0.00 O ATOM 1688 CB ASP A 110 -2.222 5.631 8.068 1.00 0.00 C ATOM 1689 CG ASP A 110 -3.134 6.855 8.172 1.00 0.00 C ATOM 1690 OD1 ASP A 110 -4.251 6.699 8.638 1.00 0.00 O ATOM 1691 OD2 ASP A 110 -2.701 7.927 7.784 1.00 0.00 O ATOM 0 H ASP A 110 -1.109 3.540 8.548 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.719 4.423 9.085 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.453 5.671 8.839 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -1.709 5.627 7.106 1.00 0.00 H new ATOM 1696 N SER A 111 -5.125 4.638 6.980 1.00 0.00 N ATOM 1697 CA SER A 111 -6.022 4.432 5.802 1.00 0.00 C ATOM 1698 C SER A 111 -6.505 2.982 5.752 1.00 0.00 C ATOM 1699 O SER A 111 -7.689 2.712 5.771 1.00 0.00 O ATOM 1700 CB SER A 111 -5.171 4.751 4.573 1.00 0.00 C ATOM 1701 OG SER A 111 -4.294 5.829 4.872 1.00 0.00 O ATOM 0 H SER A 111 -5.525 5.192 7.738 1.00 0.00 H new ATOM 0 HA SER A 111 -6.907 5.066 5.853 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.597 3.873 4.276 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.812 5.012 3.731 1.00 0.00 H new ATOM 0 HG SER A 111 -3.854 6.130 4.050 1.00 0.00 H new ATOM 1707 N GLY A 112 -5.599 2.047 5.687 1.00 0.00 N ATOM 1708 CA GLY A 112 -6.016 0.616 5.637 1.00 0.00 C ATOM 1709 C GLY A 112 -4.870 -0.252 5.112 1.00 0.00 C ATOM 1710 O GLY A 112 -3.729 0.163 5.066 1.00 0.00 O ATOM 0 H GLY A 112 -4.592 2.209 5.666 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.309 0.280 6.632 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -6.889 0.507 4.993 1.00 0.00 H new ATOM 1714 N VAL A 113 -5.171 -1.465 4.727 1.00 0.00 N ATOM 1715 CA VAL A 113 -4.107 -2.383 4.213 1.00 0.00 C ATOM 1716 C VAL A 113 -3.442 -1.812 2.965 1.00 0.00 C ATOM 1717 O VAL A 113 -4.085 -1.498 1.981 1.00 0.00 O ATOM 1718 CB VAL A 113 -4.812 -3.703 3.900 1.00 0.00 C ATOM 1719 CG1 VAL A 113 -5.070 -4.459 5.204 1.00 0.00 C ATOM 1720 CG2 VAL A 113 -6.143 -3.427 3.208 1.00 0.00 C ATOM 0 H VAL A 113 -6.110 -1.862 4.746 1.00 0.00 H new ATOM 0 HA VAL A 113 -3.312 -2.517 4.947 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.181 -4.301 3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.573 -5.401 4.985 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.121 -4.661 5.701 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.700 -3.855 5.856 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.641 -4.371 2.987 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.776 -2.827 3.862 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.965 -2.885 2.279 1.00 0.00 H new ATOM 1730 N HIS A 114 -2.145 -1.682 3.008 1.00 0.00 N ATOM 1731 CA HIS A 114 -1.400 -1.141 1.841 1.00 0.00 C ATOM 1732 C HIS A 114 -0.438 -2.200 1.295 1.00 0.00 C ATOM 1733 O HIS A 114 -0.108 -3.161 1.962 1.00 0.00 O ATOM 1734 CB HIS A 114 -0.588 0.035 2.391 1.00 0.00 C ATOM 1735 CG HIS A 114 -1.478 1.207 2.695 1.00 0.00 C ATOM 1736 ND1 HIS A 114 -1.874 2.109 1.719 1.00 0.00 N ATOM 1737 CD2 HIS A 114 -2.016 1.667 3.872 1.00 0.00 C ATOM 1738 CE1 HIS A 114 -2.612 3.058 2.322 1.00 0.00 C ATOM 1739 NE2 HIS A 114 -2.732 2.835 3.634 1.00 0.00 N ATOM 0 H HIS A 114 -1.566 -1.930 3.810 1.00 0.00 H new ATOM 0 HA HIS A 114 -2.072 -0.847 1.035 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -0.063 -0.272 3.296 1.00 0.00 H new ATOM 0 HB3 HIS A 114 0.171 0.328 1.666 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -1.901 1.194 4.836 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -3.054 3.899 1.808 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -3.240 3.400 4.315 1.00 0.00 H new ATOM 1747 N ILE A 115 0.044 -2.005 0.104 1.00 0.00 N ATOM 1748 CA ILE A 115 1.025 -2.963 -0.479 1.00 0.00 C ATOM 1749 C ILE A 115 2.207 -2.149 -1.002 1.00 0.00 C ATOM 1750 O ILE A 115 2.055 -0.993 -1.337 1.00 0.00 O ATOM 1751 CB ILE A 115 0.287 -3.680 -1.613 1.00 0.00 C ATOM 1752 CG1 ILE A 115 -0.045 -2.683 -2.723 1.00 0.00 C ATOM 1753 CG2 ILE A 115 -1.008 -4.290 -1.071 1.00 0.00 C ATOM 1754 CD1 ILE A 115 0.586 -3.153 -4.034 1.00 0.00 C ATOM 0 H ILE A 115 -0.200 -1.218 -0.497 1.00 0.00 H new ATOM 0 HA ILE A 115 1.404 -3.694 0.235 1.00 0.00 H new ATOM 0 HB ILE A 115 0.922 -4.469 -2.016 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -1.125 -2.596 -2.837 1.00 0.00 H new ATOM 0 HG13 ILE A 115 0.329 -1.693 -2.461 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -1.535 -4.801 -1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -0.772 -5.004 -0.282 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -1.641 -3.500 -0.667 1.00 0.00 H new ATOM 0 HD11 ILE A 115 0.350 -2.443 -4.827 1.00 0.00 H new ATOM 0 HD12 ILE A 115 1.668 -3.217 -3.915 1.00 0.00 H new ATOM 0 HD13 ILE A 115 0.191 -4.134 -4.297 1.00 0.00 H new ATOM 1766 N ILE A 116 3.386 -2.703 -1.048 1.00 0.00 N ATOM 1767 CA ILE A 116 4.542 -1.889 -1.524 1.00 0.00 C ATOM 1768 C ILE A 116 5.443 -2.677 -2.477 1.00 0.00 C ATOM 1769 O ILE A 116 5.453 -3.892 -2.494 1.00 0.00 O ATOM 1770 CB ILE A 116 5.307 -1.520 -0.252 1.00 0.00 C ATOM 1771 CG1 ILE A 116 4.556 -0.414 0.489 1.00 0.00 C ATOM 1772 CG2 ILE A 116 6.707 -1.022 -0.616 1.00 0.00 C ATOM 1773 CD1 ILE A 116 4.332 -0.841 1.938 1.00 0.00 C ATOM 0 H ILE A 116 3.599 -3.665 -0.783 1.00 0.00 H new ATOM 0 HA ILE A 116 4.208 -1.017 -2.086 1.00 0.00 H new ATOM 0 HB ILE A 116 5.390 -2.400 0.385 1.00 0.00 H new ATOM 0 HG12 ILE A 116 5.126 0.514 0.455 1.00 0.00 H new ATOM 0 HG13 ILE A 116 3.600 -0.219 0.003 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.248 -0.760 0.293 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.246 -1.807 -1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.626 -0.143 -1.255 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.797 -0.055 2.470 1.00 0.00 H new ATOM 0 HD12 ILE A 116 3.745 -1.759 1.960 1.00 0.00 H new ATOM 0 HD13 ILE A 116 5.295 -1.014 2.419 1.00 0.00 H new ATOM 1785 N LYS A 117 6.212 -1.970 -3.258 1.00 0.00 N ATOM 1786 CA LYS A 117 7.145 -2.626 -4.214 1.00 0.00 C ATOM 1787 C LYS A 117 8.487 -1.891 -4.172 1.00 0.00 C ATOM 1788 O LYS A 117 8.620 -0.876 -3.520 1.00 0.00 O ATOM 1789 CB LYS A 117 6.483 -2.471 -5.584 1.00 0.00 C ATOM 1790 CG LYS A 117 6.330 -3.845 -6.238 1.00 0.00 C ATOM 1791 CD LYS A 117 5.238 -3.785 -7.309 1.00 0.00 C ATOM 1792 CE LYS A 117 5.872 -3.901 -8.697 1.00 0.00 C ATOM 1793 NZ LYS A 117 4.753 -4.289 -9.601 1.00 0.00 N ATOM 0 H LYS A 117 6.233 -0.950 -3.274 1.00 0.00 H new ATOM 0 HA LYS A 117 7.333 -3.674 -3.982 1.00 0.00 H new ATOM 0 HB2 LYS A 117 5.507 -1.998 -5.476 1.00 0.00 H new ATOM 0 HB3 LYS A 117 7.085 -1.820 -6.218 1.00 0.00 H new ATOM 0 HG2 LYS A 117 7.275 -4.154 -6.685 1.00 0.00 H new ATOM 0 HG3 LYS A 117 6.075 -4.591 -5.485 1.00 0.00 H new ATOM 0 HD2 LYS A 117 4.521 -4.592 -7.157 1.00 0.00 H new ATOM 0 HD3 LYS A 117 4.686 -2.849 -7.228 1.00 0.00 H new ATOM 0 HE2 LYS A 117 6.320 -2.957 -9.006 1.00 0.00 H new ATOM 0 HE3 LYS A 117 6.665 -4.649 -8.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 4.986 -4.017 -10.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 4.609 -5.318 -9.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 3.883 -3.803 -9.304 1.00 0.00 H new ATOM 1807 N ARG A 118 9.484 -2.383 -4.850 1.00 0.00 N ATOM 1808 CA ARG A 118 10.800 -1.683 -4.818 1.00 0.00 C ATOM 1809 C ARG A 118 11.602 -1.983 -6.093 1.00 0.00 C ATOM 1810 O ARG A 118 11.138 -1.756 -7.192 1.00 0.00 O ATOM 1811 CB ARG A 118 11.502 -2.234 -3.574 1.00 0.00 C ATOM 1812 CG ARG A 118 12.609 -1.267 -3.145 1.00 0.00 C ATOM 1813 CD ARG A 118 13.305 -1.800 -1.890 1.00 0.00 C ATOM 1814 NE ARG A 118 14.549 -0.989 -1.772 1.00 0.00 N ATOM 1815 CZ ARG A 118 15.690 -1.571 -1.521 1.00 0.00 C ATOM 1816 NH1 ARG A 118 15.825 -2.306 -0.450 1.00 0.00 N ATOM 1817 NH2 ARG A 118 16.695 -1.415 -2.338 1.00 0.00 N ATOM 0 H ARG A 118 9.448 -3.229 -5.419 1.00 0.00 H new ATOM 0 HA ARG A 118 10.696 -0.599 -4.777 1.00 0.00 H new ATOM 0 HB2 ARG A 118 10.783 -2.364 -2.765 1.00 0.00 H new ATOM 0 HB3 ARG A 118 11.924 -3.216 -3.786 1.00 0.00 H new ATOM 0 HG2 ARG A 118 13.333 -1.148 -3.951 1.00 0.00 H new ATOM 0 HG3 ARG A 118 12.187 -0.281 -2.947 1.00 0.00 H new ATOM 0 HD2 ARG A 118 12.674 -1.686 -1.009 1.00 0.00 H new ATOM 0 HD3 ARG A 118 13.532 -2.862 -1.984 1.00 0.00 H new ATOM 0 HE ARG A 118 14.509 0.024 -1.888 1.00 0.00 H new ATOM 0 HH11 ARG A 118 15.039 -2.425 0.189 1.00 0.00 H new ATOM 0 HH12 ARG A 118 16.716 -2.761 -0.253 1.00 0.00 H new ATOM 0 HH21 ARG A 118 16.589 -0.838 -3.173 1.00 0.00 H new ATOM 0 HH22 ARG A 118 17.587 -1.870 -2.142 1.00 0.00 H new ATOM 1831 N THR A 119 12.803 -2.486 -5.958 1.00 0.00 N ATOM 1832 CA THR A 119 13.628 -2.793 -7.161 1.00 0.00 C ATOM 1833 C THR A 119 12.937 -3.847 -8.036 1.00 0.00 C ATOM 1834 O THR A 119 11.751 -3.776 -8.285 1.00 0.00 O ATOM 1835 CB THR A 119 14.939 -3.338 -6.596 1.00 0.00 C ATOM 1836 OG1 THR A 119 15.200 -2.726 -5.340 1.00 0.00 O ATOM 1837 CG2 THR A 119 16.080 -3.031 -7.565 1.00 0.00 C ATOM 0 H THR A 119 13.247 -2.697 -5.064 1.00 0.00 H new ATOM 0 HA THR A 119 13.780 -1.919 -7.794 1.00 0.00 H new ATOM 0 HB THR A 119 14.860 -4.417 -6.465 1.00 0.00 H new ATOM 0 HG1 THR A 119 16.040 -3.075 -4.974 1.00 0.00 H new ATOM 0 HG21 THR A 119 17.015 -3.420 -7.161 1.00 0.00 H new ATOM 0 HG22 THR A 119 15.877 -3.501 -8.527 1.00 0.00 H new ATOM 0 HG23 THR A 119 16.164 -1.952 -7.699 1.00 0.00 H new ATOM 1845 N ALA A 120 13.672 -4.823 -8.505 1.00 0.00 N ATOM 1846 CA ALA A 120 13.057 -5.876 -9.363 1.00 0.00 C ATOM 1847 C ALA A 120 12.959 -7.197 -8.593 1.00 0.00 C ATOM 1848 O ALA A 120 13.985 -7.834 -8.416 1.00 0.00 O ATOM 1849 CB ALA A 120 14.010 -6.019 -10.548 1.00 0.00 C ATOM 1850 OXT ALA A 120 11.861 -7.548 -8.195 1.00 0.00 O ATOM 0 H ALA A 120 14.671 -4.935 -8.330 1.00 0.00 H new ATOM 0 HA ALA A 120 12.046 -5.617 -9.677 1.00 0.00 H new ATOM 0 HB1 ALA A 120 13.630 -6.778 -11.231 1.00 0.00 H new ATOM 0 HB2 ALA A 120 14.086 -5.066 -11.071 1.00 0.00 H new ATOM 0 HB3 ALA A 120 14.995 -6.315 -10.189 1.00 0.00 H new TER 1856 ALA A 120