USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 822 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: B 27 LYS NZ :NH3+ 151:sc= -5.46! (180deg=-6.98!) USER MOD Set 1.2: B 41 GLN : amide:sc= -0.203 K(o=-5.7,f=-8.6!) USER MOD Set 2.1: B 22 THR OG1 : rot -50:sc= 0.79 USER MOD Set 2.2: B 25 ASN :FLIP amide:sc= 1.06 F(o=-4.5!,f=1.8) USER MOD Set 3.1: B 6 LYS NZ :NH3+ 177:sc= -0.135 (180deg=-0.195) USER MOD Set 3.2: B 12 THR OG1 : rot 170:sc= -0.654 USER MOD Single : A 255 TYR OH : rot 180:sc= 0 USER MOD Single : A 265 LYS NZ :NH3+ 167:sc= -0.0344 (180deg=-0.237) USER MOD Single : A 270 SER OG : rot 100:sc= -0.325 USER MOD Single : A 272 LYS NZ :NH3+ 165:sc= -0.0396 (180deg=-0.299) USER MOD Single : A 274 SER OG : rot -2:sc= 0.187 USER MOD Single : A 276 ASN :FLIP amide:sc= -1.82! C(o=-4.2!,f=-1.8!) USER MOD Single : A 277 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -126:sc= 1.38 (180deg=0.275!) USER MOD Single : B 2 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : B 7 THR OG1 : rot 180:sc= 0 USER MOD Single : B 9 THR OG1 : rot 67:sc= 0.0743 USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 THR OG1 : rot -29:sc= 1.88 USER MOD Single : B 19 SER OG : rot 180:sc= -0.0944 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 28 SER OG : rot -32:sc= 1.05 USER MOD Single : B 29 LYS NZ :NH3+ -169:sc= -0.0209 (180deg=-0.202) USER MOD Single : B 31 GLN :FLIP amide:sc= -2.29 F(o=-5.1!,f=-2.3) USER MOD Single : B 33 LYS NZ :NH3+ 168:sc= -0.0414 (180deg=-0.395) USER MOD Single : B 40 GLN :FLIP amide:sc= -1.27 F(o=-2.5!,f=-1.3) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN : amide:sc= -3! C(o=-3!,f=-6.5!) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 59 TYR OH : rot -140:sc= 0 USER MOD Single : B 60 ASN : amide:sc= -0.57 K(o=-0.57,f=-3.2) USER MOD Single : B 62 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : B 63 LYS NZ :NH3+ 167:sc= -0.0263 (180deg=-0.221) USER MOD Single : B 65 SER OG : rot 180:sc= 0 USER MOD Single : B 66 THR OG1 : rot 38:sc= 0.126 USER MOD Single : B 68 HIS : no HE2:sc= -2.14 X(o=-2.1,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 255 24.187 -4.586 -2.958 1.00 0.00 N ATOM 2 CA TYR A 255 23.662 -3.243 -2.594 1.00 0.00 C ATOM 3 C TYR A 255 22.519 -2.830 -3.526 1.00 0.00 C ATOM 4 O TYR A 255 22.589 -1.794 -4.188 1.00 0.00 O ATOM 5 CB TYR A 255 24.816 -2.236 -2.677 1.00 0.00 C ATOM 6 CG TYR A 255 24.483 -0.868 -2.118 1.00 0.00 C ATOM 7 CD1 TYR A 255 23.889 -0.731 -0.869 1.00 0.00 C ATOM 8 CD2 TYR A 255 24.767 0.286 -2.839 1.00 0.00 C ATOM 9 CE1 TYR A 255 23.587 0.516 -0.355 1.00 0.00 C ATOM 10 CE2 TYR A 255 24.467 1.536 -2.331 1.00 0.00 C ATOM 11 CZ TYR A 255 23.878 1.645 -1.090 1.00 0.00 C ATOM 12 OH TYR A 255 23.579 2.888 -0.580 1.00 0.00 O ATOM 0 HA TYR A 255 23.261 -3.269 -1.581 1.00 0.00 H new ATOM 0 HB2 TYR A 255 25.674 -2.638 -2.139 1.00 0.00 H new ATOM 0 HB3 TYR A 255 25.116 -2.128 -3.719 1.00 0.00 H new ATOM 0 HD1 TYR A 255 23.660 -1.614 -0.290 1.00 0.00 H new ATOM 0 HD2 TYR A 255 25.229 0.205 -3.812 1.00 0.00 H new ATOM 0 HE1 TYR A 255 23.125 0.605 0.617 1.00 0.00 H new ATOM 0 HE2 TYR A 255 24.693 2.423 -2.904 1.00 0.00 H new ATOM 0 HH TYR A 255 23.848 3.578 -1.221 1.00 0.00 H new ATOM 24 N PRO A 256 21.446 -3.645 -3.599 1.00 0.00 N ATOM 25 CA PRO A 256 20.295 -3.359 -4.461 1.00 0.00 C ATOM 26 C PRO A 256 19.376 -2.285 -3.885 1.00 0.00 C ATOM 27 O PRO A 256 18.154 -2.381 -3.999 1.00 0.00 O ATOM 28 CB PRO A 256 19.570 -4.702 -4.526 1.00 0.00 C ATOM 29 CG PRO A 256 19.886 -5.361 -3.229 1.00 0.00 C ATOM 30 CD PRO A 256 21.274 -4.910 -2.854 1.00 0.00 C ATOM 0 HA PRO A 256 20.602 -2.969 -5.432 1.00 0.00 H new ATOM 0 HB2 PRO A 256 18.496 -4.567 -4.651 1.00 0.00 H new ATOM 0 HB3 PRO A 256 19.916 -5.299 -5.369 1.00 0.00 H new ATOM 0 HG2 PRO A 256 19.165 -5.078 -2.463 1.00 0.00 H new ATOM 0 HG3 PRO A 256 19.842 -6.446 -3.323 1.00 0.00 H new ATOM 0 HD2 PRO A 256 21.368 -4.757 -1.779 1.00 0.00 H new ATOM 0 HD3 PRO A 256 22.025 -5.647 -3.138 1.00 0.00 H new ATOM 38 N GLU A 257 19.973 -1.260 -3.276 1.00 0.00 N ATOM 39 CA GLU A 257 19.215 -0.157 -2.686 1.00 0.00 C ATOM 40 C GLU A 257 18.332 -0.631 -1.534 1.00 0.00 C ATOM 41 O GLU A 257 17.649 -1.650 -1.635 1.00 0.00 O ATOM 42 CB GLU A 257 18.353 0.528 -3.750 1.00 0.00 C ATOM 43 CG GLU A 257 19.149 1.099 -4.914 1.00 0.00 C ATOM 44 CD GLU A 257 20.077 2.226 -4.498 1.00 0.00 C ATOM 45 OE1 GLU A 257 20.989 1.977 -3.682 1.00 0.00 O ATOM 46 OE2 GLU A 257 19.889 3.359 -4.989 1.00 0.00 O ATOM 0 H GLU A 257 20.984 -1.171 -3.178 1.00 0.00 H new ATOM 0 HA GLU A 257 19.936 0.557 -2.288 1.00 0.00 H new ATOM 0 HB2 GLU A 257 17.629 -0.190 -4.135 1.00 0.00 H new ATOM 0 HB3 GLU A 257 17.785 1.332 -3.281 1.00 0.00 H new ATOM 0 HG2 GLU A 257 19.735 0.303 -5.372 1.00 0.00 H new ATOM 0 HG3 GLU A 257 18.459 1.465 -5.675 1.00 0.00 H new ATOM 53 N ASP A 258 18.348 0.124 -0.440 1.00 0.00 N ATOM 54 CA ASP A 258 17.545 -0.205 0.732 1.00 0.00 C ATOM 55 C ASP A 258 16.055 -0.142 0.405 1.00 0.00 C ATOM 56 O ASP A 258 15.254 -0.889 0.966 1.00 0.00 O ATOM 57 CB ASP A 258 17.871 0.744 1.887 1.00 0.00 C ATOM 58 CG ASP A 258 17.627 2.197 1.531 1.00 0.00 C ATOM 59 OD1 ASP A 258 18.276 2.694 0.587 1.00 0.00 O ATOM 60 OD2 ASP A 258 16.787 2.838 2.197 1.00 0.00 O ATOM 0 H ASP A 258 18.910 0.970 -0.341 1.00 0.00 H new ATOM 0 HA ASP A 258 17.789 -1.224 1.034 1.00 0.00 H new ATOM 0 HB2 ASP A 258 17.265 0.479 2.753 1.00 0.00 H new ATOM 0 HB3 ASP A 258 18.914 0.614 2.176 1.00 0.00 H new ATOM 65 N GLU A 259 15.695 0.758 -0.506 1.00 0.00 N ATOM 66 CA GLU A 259 14.306 0.930 -0.916 1.00 0.00 C ATOM 67 C GLU A 259 13.727 -0.372 -1.461 1.00 0.00 C ATOM 68 O GLU A 259 12.641 -0.793 -1.063 1.00 0.00 O ATOM 69 CB GLU A 259 14.211 2.017 -1.986 1.00 0.00 C ATOM 70 CG GLU A 259 12.809 2.212 -2.532 1.00 0.00 C ATOM 71 CD GLU A 259 12.769 3.186 -3.693 1.00 0.00 C ATOM 72 OE1 GLU A 259 13.210 4.339 -3.514 1.00 0.00 O ATOM 73 OE2 GLU A 259 12.296 2.795 -4.781 1.00 0.00 O ATOM 0 H GLU A 259 16.351 1.382 -0.976 1.00 0.00 H new ATOM 0 HA GLU A 259 13.729 1.224 -0.039 1.00 0.00 H new ATOM 0 HB2 GLU A 259 14.563 2.960 -1.566 1.00 0.00 H new ATOM 0 HB3 GLU A 259 14.880 1.765 -2.809 1.00 0.00 H new ATOM 0 HG2 GLU A 259 12.411 1.250 -2.855 1.00 0.00 H new ATOM 0 HG3 GLU A 259 12.159 2.574 -1.735 1.00 0.00 H new ATOM 80 N GLU A 260 14.457 -1.002 -2.377 1.00 0.00 N ATOM 81 CA GLU A 260 14.012 -2.252 -2.983 1.00 0.00 C ATOM 82 C GLU A 260 13.760 -3.312 -1.917 1.00 0.00 C ATOM 83 O GLU A 260 12.781 -4.050 -1.988 1.00 0.00 O ATOM 84 CB GLU A 260 15.049 -2.755 -3.990 1.00 0.00 C ATOM 85 CG GLU A 260 14.641 -4.040 -4.694 1.00 0.00 C ATOM 86 CD GLU A 260 15.673 -4.508 -5.701 1.00 0.00 C ATOM 87 OE1 GLU A 260 15.960 -3.750 -6.652 1.00 0.00 O ATOM 88 OE2 GLU A 260 16.194 -5.631 -5.540 1.00 0.00 O ATOM 0 H GLU A 260 15.359 -0.667 -2.716 1.00 0.00 H new ATOM 0 HA GLU A 260 13.075 -2.060 -3.507 1.00 0.00 H new ATOM 0 HB2 GLU A 260 15.223 -1.981 -4.737 1.00 0.00 H new ATOM 0 HB3 GLU A 260 15.995 -2.918 -3.474 1.00 0.00 H new ATOM 0 HG2 GLU A 260 14.483 -4.822 -3.951 1.00 0.00 H new ATOM 0 HG3 GLU A 260 13.689 -3.885 -5.201 1.00 0.00 H new ATOM 95 N GLU A 261 14.646 -3.376 -0.929 1.00 0.00 N ATOM 96 CA GLU A 261 14.512 -4.343 0.155 1.00 0.00 C ATOM 97 C GLU A 261 13.179 -4.160 0.875 1.00 0.00 C ATOM 98 O GLU A 261 12.518 -5.132 1.236 1.00 0.00 O ATOM 99 CB GLU A 261 15.666 -4.190 1.148 1.00 0.00 C ATOM 100 CG GLU A 261 15.601 -5.163 2.315 1.00 0.00 C ATOM 101 CD GLU A 261 16.744 -4.981 3.295 1.00 0.00 C ATOM 102 OE1 GLU A 261 17.595 -4.096 3.061 1.00 0.00 O ATOM 103 OE2 GLU A 261 16.788 -5.724 4.298 1.00 0.00 O ATOM 0 H GLU A 261 15.464 -2.771 -0.856 1.00 0.00 H new ATOM 0 HA GLU A 261 14.543 -5.345 -0.274 1.00 0.00 H new ATOM 0 HB2 GLU A 261 16.609 -4.332 0.620 1.00 0.00 H new ATOM 0 HB3 GLU A 261 15.668 -3.171 1.535 1.00 0.00 H new ATOM 0 HG2 GLU A 261 14.654 -5.032 2.839 1.00 0.00 H new ATOM 0 HG3 GLU A 261 15.615 -6.184 1.933 1.00 0.00 H new ATOM 110 N LEU A 262 12.799 -2.904 1.078 1.00 0.00 N ATOM 111 CA LEU A 262 11.550 -2.572 1.755 1.00 0.00 C ATOM 112 C LEU A 262 10.351 -3.048 0.931 1.00 0.00 C ATOM 113 O LEU A 262 9.471 -3.752 1.436 1.00 0.00 O ATOM 114 CB LEU A 262 11.484 -1.057 1.976 1.00 0.00 C ATOM 115 CG LEU A 262 10.557 -0.579 3.097 1.00 0.00 C ATOM 116 CD1 LEU A 262 10.750 0.911 3.329 1.00 0.00 C ATOM 117 CD2 LEU A 262 9.102 -0.876 2.770 1.00 0.00 C ATOM 0 H LEU A 262 13.342 -2.093 0.781 1.00 0.00 H new ATOM 0 HA LEU A 262 11.517 -3.078 2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 262 12.491 -0.697 2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 262 11.166 -0.588 1.045 1.00 0.00 H new ATOM 0 HG LEU A 262 10.814 -1.120 4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 262 10.087 1.244 4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 262 11.785 1.104 3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 262 10.517 1.455 2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 262 8.467 -0.525 3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 262 8.825 -0.365 1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 262 8.970 -1.951 2.644 1.00 0.00 H new ATOM 129 N ILE A 263 10.331 -2.661 -0.343 1.00 0.00 N ATOM 130 CA ILE A 263 9.252 -3.044 -1.249 1.00 0.00 C ATOM 131 C ILE A 263 9.115 -4.563 -1.348 1.00 0.00 C ATOM 132 O ILE A 263 8.029 -5.106 -1.143 1.00 0.00 O ATOM 133 CB ILE A 263 9.475 -2.450 -2.660 1.00 0.00 C ATOM 134 CG1 ILE A 263 8.994 -0.999 -2.712 1.00 0.00 C ATOM 135 CG2 ILE A 263 8.778 -3.287 -3.727 1.00 0.00 C ATOM 136 CD1 ILE A 263 9.214 -0.330 -4.053 1.00 0.00 C ATOM 0 H ILE A 263 11.052 -2.081 -0.771 1.00 0.00 H new ATOM 0 HA ILE A 263 8.329 -2.640 -0.834 1.00 0.00 H new ATOM 0 HB ILE A 263 10.545 -2.468 -2.868 1.00 0.00 H new ATOM 0 HG12 ILE A 263 7.931 -0.969 -2.472 1.00 0.00 H new ATOM 0 HG13 ILE A 263 9.511 -0.427 -1.942 1.00 0.00 H new ATOM 0 HG21 ILE A 263 8.953 -2.845 -4.708 1.00 0.00 H new ATOM 0 HG22 ILE A 263 9.175 -4.302 -3.710 1.00 0.00 H new ATOM 0 HG23 ILE A 263 7.707 -3.313 -3.526 1.00 0.00 H new ATOM 0 HD11 ILE A 263 8.848 0.696 -4.012 1.00 0.00 H new ATOM 0 HD12 ILE A 263 10.278 -0.326 -4.288 1.00 0.00 H new ATOM 0 HD13 ILE A 263 8.674 -0.877 -4.826 1.00 0.00 H new ATOM 148 N ARG A 264 10.212 -5.244 -1.669 1.00 0.00 N ATOM 149 CA ARG A 264 10.187 -6.697 -1.798 1.00 0.00 C ATOM 150 C ARG A 264 9.806 -7.353 -0.478 1.00 0.00 C ATOM 151 O ARG A 264 9.090 -8.353 -0.464 1.00 0.00 O ATOM 152 CB ARG A 264 11.527 -7.237 -2.292 1.00 0.00 C ATOM 153 CG ARG A 264 12.680 -7.007 -1.333 1.00 0.00 C ATOM 154 CD ARG A 264 13.972 -7.601 -1.868 1.00 0.00 C ATOM 155 NE ARG A 264 15.088 -7.408 -0.947 1.00 0.00 N ATOM 156 CZ ARG A 264 16.327 -7.826 -1.189 1.00 0.00 C ATOM 157 NH1 ARG A 264 16.610 -8.452 -2.324 1.00 0.00 N ATOM 158 NH2 ARG A 264 17.285 -7.615 -0.297 1.00 0.00 N ATOM 0 H ARG A 264 11.122 -4.817 -1.843 1.00 0.00 H new ATOM 0 HA ARG A 264 9.429 -6.946 -2.541 1.00 0.00 H new ATOM 0 HB2 ARG A 264 11.430 -8.307 -2.476 1.00 0.00 H new ATOM 0 HB3 ARG A 264 11.765 -6.770 -3.248 1.00 0.00 H new ATOM 0 HG2 ARG A 264 12.810 -5.937 -1.168 1.00 0.00 H new ATOM 0 HG3 ARG A 264 12.446 -7.453 -0.366 1.00 0.00 H new ATOM 0 HD2 ARG A 264 13.833 -8.667 -2.050 1.00 0.00 H new ATOM 0 HD3 ARG A 264 14.211 -7.143 -2.828 1.00 0.00 H new ATOM 0 HE ARG A 264 14.907 -6.925 -0.067 1.00 0.00 H new ATOM 0 HH11 ARG A 264 15.876 -8.614 -3.014 1.00 0.00 H new ATOM 0 HH12 ARG A 264 17.561 -8.771 -2.507 1.00 0.00 H new ATOM 0 HH21 ARG A 264 17.072 -7.132 0.576 1.00 0.00 H new ATOM 0 HH22 ARG A 264 18.235 -7.936 -0.483 1.00 0.00 H new ATOM 172 N LYS A 265 10.265 -6.779 0.632 1.00 0.00 N ATOM 173 CA LYS A 265 9.930 -7.318 1.942 1.00 0.00 C ATOM 174 C LYS A 265 8.419 -7.413 2.055 1.00 0.00 C ATOM 175 O LYS A 265 7.871 -8.443 2.451 1.00 0.00 O ATOM 176 CB LYS A 265 10.491 -6.430 3.056 1.00 0.00 C ATOM 177 CG LYS A 265 10.061 -6.851 4.456 1.00 0.00 C ATOM 178 CD LYS A 265 10.447 -8.292 4.761 1.00 0.00 C ATOM 179 CE LYS A 265 11.955 -8.485 4.766 1.00 0.00 C ATOM 180 NZ LYS A 265 12.619 -7.646 5.802 1.00 0.00 N ATOM 0 H LYS A 265 10.862 -5.952 0.649 1.00 0.00 H new ATOM 0 HA LYS A 265 10.374 -8.307 2.051 1.00 0.00 H new ATOM 0 HB2 LYS A 265 11.580 -6.441 3.002 1.00 0.00 H new ATOM 0 HB3 LYS A 265 10.173 -5.402 2.883 1.00 0.00 H new ATOM 0 HG2 LYS A 265 10.520 -6.189 5.191 1.00 0.00 H new ATOM 0 HG3 LYS A 265 8.981 -6.736 4.554 1.00 0.00 H new ATOM 0 HD2 LYS A 265 10.041 -8.579 5.731 1.00 0.00 H new ATOM 0 HD3 LYS A 265 9.999 -8.953 4.019 1.00 0.00 H new ATOM 0 HE2 LYS A 265 12.186 -9.535 4.946 1.00 0.00 H new ATOM 0 HE3 LYS A 265 12.356 -8.234 3.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 265 13.602 -7.961 5.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 265 12.610 -6.651 5.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 265 12.109 -7.740 6.704 1.00 0.00 H new ATOM 194 N ALA A 266 7.753 -6.334 1.662 1.00 0.00 N ATOM 195 CA ALA A 266 6.302 -6.289 1.675 1.00 0.00 C ATOM 196 C ALA A 266 5.740 -7.287 0.669 1.00 0.00 C ATOM 197 O ALA A 266 4.671 -7.860 0.875 1.00 0.00 O ATOM 198 CB ALA A 266 5.813 -4.884 1.361 1.00 0.00 C ATOM 0 H ALA A 266 8.199 -5.479 1.330 1.00 0.00 H new ATOM 0 HA ALA A 266 5.950 -6.560 2.670 1.00 0.00 H new ATOM 0 HB1 ALA A 266 4.723 -4.867 1.374 1.00 0.00 H new ATOM 0 HB2 ALA A 266 6.196 -4.190 2.109 1.00 0.00 H new ATOM 0 HB3 ALA A 266 6.168 -4.587 0.374 1.00 0.00 H new ATOM 204 N ILE A 267 6.477 -7.486 -0.425 1.00 0.00 N ATOM 205 CA ILE A 267 6.066 -8.412 -1.475 1.00 0.00 C ATOM 206 C ILE A 267 5.911 -9.834 -0.937 1.00 0.00 C ATOM 207 O ILE A 267 4.864 -10.460 -1.103 1.00 0.00 O ATOM 208 CB ILE A 267 7.078 -8.425 -2.644 1.00 0.00 C ATOM 209 CG1 ILE A 267 7.104 -7.064 -3.349 1.00 0.00 C ATOM 210 CG2 ILE A 267 6.746 -9.535 -3.633 1.00 0.00 C ATOM 211 CD1 ILE A 267 5.787 -6.681 -3.994 1.00 0.00 C ATOM 0 H ILE A 267 7.364 -7.015 -0.605 1.00 0.00 H new ATOM 0 HA ILE A 267 5.101 -8.060 -1.840 1.00 0.00 H new ATOM 0 HB ILE A 267 8.069 -8.619 -2.235 1.00 0.00 H new ATOM 0 HG12 ILE A 267 7.380 -6.296 -2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 267 7.881 -7.076 -4.113 1.00 0.00 H new ATOM 0 HG21 ILE A 267 7.471 -9.526 -4.447 1.00 0.00 H new ATOM 0 HG22 ILE A 267 6.784 -10.498 -3.125 1.00 0.00 H new ATOM 0 HG23 ILE A 267 5.746 -9.376 -4.036 1.00 0.00 H new ATOM 0 HD11 ILE A 267 5.886 -5.706 -4.472 1.00 0.00 H new ATOM 0 HD12 ILE A 267 5.518 -7.426 -4.742 1.00 0.00 H new ATOM 0 HD13 ILE A 267 5.009 -6.634 -3.232 1.00 0.00 H new ATOM 223 N GLU A 268 6.963 -10.338 -0.301 1.00 0.00 N ATOM 224 CA GLU A 268 6.952 -11.689 0.251 1.00 0.00 C ATOM 225 C GLU A 268 5.936 -11.826 1.381 1.00 0.00 C ATOM 226 O GLU A 268 5.143 -12.768 1.399 1.00 0.00 O ATOM 227 CB GLU A 268 8.345 -12.063 0.758 1.00 0.00 C ATOM 228 CG GLU A 268 8.425 -13.463 1.344 1.00 0.00 C ATOM 229 CD GLU A 268 9.820 -13.821 1.819 1.00 0.00 C ATOM 230 OE1 GLU A 268 10.728 -12.974 1.690 1.00 0.00 O ATOM 231 OE2 GLU A 268 10.004 -14.951 2.320 1.00 0.00 O ATOM 0 H GLU A 268 7.836 -9.831 -0.155 1.00 0.00 H new ATOM 0 HA GLU A 268 6.661 -12.370 -0.549 1.00 0.00 H new ATOM 0 HB2 GLU A 268 9.056 -11.982 -0.065 1.00 0.00 H new ATOM 0 HB3 GLU A 268 8.652 -11.343 1.517 1.00 0.00 H new ATOM 0 HG2 GLU A 268 7.730 -13.543 2.180 1.00 0.00 H new ATOM 0 HG3 GLU A 268 8.105 -14.185 0.593 1.00 0.00 H new ATOM 238 N LEU A 269 5.967 -10.889 2.324 1.00 0.00 N ATOM 239 CA LEU A 269 5.049 -10.919 3.458 1.00 0.00 C ATOM 240 C LEU A 269 3.598 -10.941 2.988 1.00 0.00 C ATOM 241 O LEU A 269 2.761 -11.641 3.559 1.00 0.00 O ATOM 242 CB LEU A 269 5.288 -9.713 4.369 1.00 0.00 C ATOM 243 CG LEU A 269 6.692 -9.624 4.974 1.00 0.00 C ATOM 244 CD1 LEU A 269 6.827 -8.374 5.830 1.00 0.00 C ATOM 245 CD2 LEU A 269 7.002 -10.868 5.795 1.00 0.00 C ATOM 0 H LEU A 269 6.616 -10.102 2.326 1.00 0.00 H new ATOM 0 HA LEU A 269 5.240 -11.832 4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 269 5.096 -8.804 3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 269 4.561 -9.740 5.180 1.00 0.00 H new ATOM 0 HG LEU A 269 7.412 -9.562 4.158 1.00 0.00 H new ATOM 0 HD11 LEU A 269 7.831 -8.328 6.251 1.00 0.00 H new ATOM 0 HD12 LEU A 269 6.651 -7.491 5.215 1.00 0.00 H new ATOM 0 HD13 LEU A 269 6.096 -8.405 6.638 1.00 0.00 H new ATOM 0 HD21 LEU A 269 8.004 -10.786 6.216 1.00 0.00 H new ATOM 0 HD22 LEU A 269 6.275 -10.962 6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 269 6.949 -11.749 5.155 1.00 0.00 H new ATOM 257 N SER A 270 3.308 -10.172 1.944 1.00 0.00 N ATOM 258 CA SER A 270 1.959 -10.103 1.396 1.00 0.00 C ATOM 259 C SER A 270 1.557 -11.431 0.761 1.00 0.00 C ATOM 260 O SER A 270 0.445 -11.917 0.968 1.00 0.00 O ATOM 261 CB SER A 270 1.864 -8.981 0.361 1.00 0.00 C ATOM 262 OG SER A 270 0.547 -8.864 -0.144 1.00 0.00 O ATOM 0 H SER A 270 3.990 -9.588 1.460 1.00 0.00 H new ATOM 0 HA SER A 270 1.273 -9.892 2.216 1.00 0.00 H new ATOM 0 HB2 SER A 270 2.168 -8.037 0.814 1.00 0.00 H new ATOM 0 HB3 SER A 270 2.555 -9.179 -0.459 1.00 0.00 H new ATOM 0 HG SER A 270 0.088 -8.124 0.307 1.00 0.00 H new ATOM 268 N LEU A 271 2.468 -12.011 -0.017 1.00 0.00 N ATOM 269 CA LEU A 271 2.207 -13.281 -0.687 1.00 0.00 C ATOM 270 C LEU A 271 1.881 -14.381 0.319 1.00 0.00 C ATOM 271 O LEU A 271 0.975 -15.185 0.098 1.00 0.00 O ATOM 272 CB LEU A 271 3.412 -13.695 -1.536 1.00 0.00 C ATOM 273 CG LEU A 271 3.733 -12.766 -2.710 1.00 0.00 C ATOM 274 CD1 LEU A 271 5.010 -13.209 -3.405 1.00 0.00 C ATOM 275 CD2 LEU A 271 2.575 -12.733 -3.697 1.00 0.00 C ATOM 0 H LEU A 271 3.393 -11.621 -0.198 1.00 0.00 H new ATOM 0 HA LEU A 271 1.342 -13.142 -1.335 1.00 0.00 H new ATOM 0 HB2 LEU A 271 4.288 -13.754 -0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 271 3.235 -14.698 -1.925 1.00 0.00 H new ATOM 0 HG LEU A 271 3.883 -11.759 -2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 271 5.223 -12.538 -4.237 1.00 0.00 H new ATOM 0 HD12 LEU A 271 5.838 -13.183 -2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 271 4.886 -14.225 -3.781 1.00 0.00 H new ATOM 0 HD21 LEU A 271 2.821 -12.068 -4.525 1.00 0.00 H new ATOM 0 HD22 LEU A 271 2.395 -13.737 -4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 271 1.679 -12.370 -3.194 1.00 0.00 H new ATOM 287 N LYS A 272 2.625 -14.414 1.421 1.00 0.00 N ATOM 288 CA LYS A 272 2.411 -15.421 2.455 1.00 0.00 C ATOM 289 C LYS A 272 0.981 -15.374 2.980 1.00 0.00 C ATOM 290 O LYS A 272 0.341 -16.411 3.158 1.00 0.00 O ATOM 291 CB LYS A 272 3.398 -15.221 3.608 1.00 0.00 C ATOM 292 CG LYS A 272 4.857 -15.343 3.194 1.00 0.00 C ATOM 293 CD LYS A 272 5.154 -16.701 2.578 1.00 0.00 C ATOM 294 CE LYS A 272 6.630 -16.856 2.253 1.00 0.00 C ATOM 295 NZ LYS A 272 7.474 -16.819 3.480 1.00 0.00 N ATOM 0 H LYS A 272 3.379 -13.757 1.620 1.00 0.00 H new ATOM 0 HA LYS A 272 2.580 -16.400 2.008 1.00 0.00 H new ATOM 0 HB2 LYS A 272 3.235 -14.237 4.047 1.00 0.00 H new ATOM 0 HB3 LYS A 272 3.188 -15.955 4.386 1.00 0.00 H new ATOM 0 HG2 LYS A 272 5.099 -14.558 2.478 1.00 0.00 H new ATOM 0 HG3 LYS A 272 5.496 -15.190 4.063 1.00 0.00 H new ATOM 0 HD2 LYS A 272 4.848 -17.489 3.267 1.00 0.00 H new ATOM 0 HD3 LYS A 272 4.565 -16.826 1.669 1.00 0.00 H new ATOM 0 HE2 LYS A 272 6.790 -17.799 1.730 1.00 0.00 H new ATOM 0 HE3 LYS A 272 6.939 -16.060 1.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 272 8.425 -17.176 3.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 272 7.543 -15.840 3.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 272 7.044 -17.415 4.215 1.00 0.00 H new ATOM 309 N GLU A 273 0.483 -14.165 3.225 1.00 0.00 N ATOM 310 CA GLU A 273 -0.875 -13.987 3.727 1.00 0.00 C ATOM 311 C GLU A 273 -1.889 -14.565 2.746 1.00 0.00 C ATOM 312 O GLU A 273 -2.793 -15.305 3.135 1.00 0.00 O ATOM 313 CB GLU A 273 -1.160 -12.502 3.963 1.00 0.00 C ATOM 314 CG GLU A 273 -2.538 -12.229 4.545 1.00 0.00 C ATOM 315 CD GLU A 273 -2.733 -12.867 5.907 1.00 0.00 C ATOM 316 OE1 GLU A 273 -1.969 -12.528 6.835 1.00 0.00 O ATOM 317 OE2 GLU A 273 -3.650 -13.704 6.045 1.00 0.00 O ATOM 0 H GLU A 273 0.999 -13.296 3.084 1.00 0.00 H new ATOM 0 HA GLU A 273 -0.965 -14.520 4.674 1.00 0.00 H new ATOM 0 HB2 GLU A 273 -0.404 -12.099 4.637 1.00 0.00 H new ATOM 0 HB3 GLU A 273 -1.062 -11.968 3.018 1.00 0.00 H new ATOM 0 HG2 GLU A 273 -2.687 -11.152 4.628 1.00 0.00 H new ATOM 0 HG3 GLU A 273 -3.298 -12.604 3.860 1.00 0.00 H new ATOM 324 N SER A 274 -1.727 -14.224 1.472 1.00 0.00 N ATOM 325 CA SER A 274 -2.621 -14.710 0.427 1.00 0.00 C ATOM 326 C SER A 274 -2.224 -16.114 -0.020 1.00 0.00 C ATOM 327 O SER A 274 -2.130 -16.391 -1.217 1.00 0.00 O ATOM 328 CB SER A 274 -2.611 -13.755 -0.768 1.00 0.00 C ATOM 329 OG SER A 274 -1.305 -13.614 -1.298 1.00 0.00 O ATOM 0 H SER A 274 -0.983 -13.611 1.138 1.00 0.00 H new ATOM 0 HA SER A 274 -3.630 -14.753 0.837 1.00 0.00 H new ATOM 0 HB2 SER A 274 -3.282 -14.128 -1.541 1.00 0.00 H new ATOM 0 HB3 SER A 274 -2.989 -12.780 -0.461 1.00 0.00 H new ATOM 0 HG SER A 274 -0.676 -14.142 -0.763 1.00 0.00 H new ATOM 335 N ARG A 275 -1.990 -16.997 0.948 1.00 0.00 N ATOM 336 CA ARG A 275 -1.602 -18.371 0.652 1.00 0.00 C ATOM 337 C ARG A 275 -2.621 -19.033 -0.267 1.00 0.00 C ATOM 338 O ARG A 275 -3.825 -18.991 -0.009 1.00 0.00 O ATOM 339 CB ARG A 275 -1.466 -19.173 1.949 1.00 0.00 C ATOM 340 CG ARG A 275 -1.043 -20.618 1.734 1.00 0.00 C ATOM 341 CD ARG A 275 -0.902 -21.359 3.054 1.00 0.00 C ATOM 342 NE ARG A 275 -2.155 -21.385 3.803 1.00 0.00 N ATOM 343 CZ ARG A 275 -2.291 -21.959 4.995 1.00 0.00 C ATOM 344 NH1 ARG A 275 -1.255 -22.549 5.574 1.00 0.00 N ATOM 345 NH2 ARG A 275 -3.466 -21.942 5.610 1.00 0.00 N ATOM 0 H ARG A 275 -2.063 -16.784 1.943 1.00 0.00 H new ATOM 0 HA ARG A 275 -0.638 -18.353 0.143 1.00 0.00 H new ATOM 0 HB2 ARG A 275 -0.737 -18.683 2.594 1.00 0.00 H new ATOM 0 HB3 ARG A 275 -2.420 -19.158 2.477 1.00 0.00 H new ATOM 0 HG2 ARG A 275 -1.778 -21.124 1.108 1.00 0.00 H new ATOM 0 HG3 ARG A 275 -0.095 -20.645 1.197 1.00 0.00 H new ATOM 0 HD2 ARG A 275 -0.572 -22.380 2.863 1.00 0.00 H new ATOM 0 HD3 ARG A 275 -0.129 -20.882 3.657 1.00 0.00 H new ATOM 0 HE ARG A 275 -2.973 -20.938 3.389 1.00 0.00 H new ATOM 0 HH11 ARG A 275 -0.349 -22.564 5.105 1.00 0.00 H new ATOM 0 HH12 ARG A 275 -1.364 -22.988 6.488 1.00 0.00 H new ATOM 0 HH21 ARG A 275 -4.266 -21.489 5.169 1.00 0.00 H new ATOM 0 HH22 ARG A 275 -3.570 -22.382 6.524 1.00 0.00 H new ATOM 359 N ASN A 276 -2.128 -19.638 -1.343 1.00 0.00 N ATOM 360 CA ASN A 276 -2.988 -20.307 -2.313 1.00 0.00 C ATOM 361 C ASN A 276 -4.027 -19.326 -2.862 1.00 0.00 C ATOM 362 O ASN A 276 -3.674 -18.245 -3.334 1.00 0.00 O ATOM 363 CB ASN A 276 -3.664 -21.526 -1.672 1.00 0.00 C ATOM 364 CG ASN A 276 -4.383 -22.409 -2.681 1.00 0.00 C ATOM 365 OD1 ASN A 276 -4.290 -22.063 -3.963 1.00 0.00 O flip ATOM 366 ND2 ASN A 276 -5.012 -23.400 -2.311 1.00 0.00 N flip ATOM 0 H ASN A 276 -1.133 -19.679 -1.566 1.00 0.00 H new ATOM 0 HA ASN A 276 -2.379 -20.658 -3.146 1.00 0.00 H new ATOM 0 HB2 ASN A 276 -2.912 -22.118 -1.150 1.00 0.00 H new ATOM 0 HB3 ASN A 276 -4.378 -21.186 -0.922 1.00 0.00 H new ATOM 0 HD21 ASN A 276 -5.060 -23.632 -1.319 1.00 0.00 H new ATOM 0 HD22 ASN A 276 -5.485 -23.989 -2.996 1.00 0.00 H new ATOM 373 N SER A 277 -5.304 -19.698 -2.796 1.00 0.00 N ATOM 374 CA SER A 277 -6.376 -18.838 -3.284 1.00 0.00 C ATOM 375 C SER A 277 -6.540 -17.615 -2.380 1.00 0.00 C ATOM 376 O SER A 277 -5.554 -17.045 -1.911 1.00 0.00 O ATOM 377 CB SER A 277 -7.685 -19.627 -3.360 1.00 0.00 C ATOM 378 OG SER A 277 -7.563 -20.733 -4.236 1.00 0.00 O ATOM 0 H SER A 277 -5.619 -20.588 -2.410 1.00 0.00 H new ATOM 0 HA SER A 277 -6.116 -18.489 -4.283 1.00 0.00 H new ATOM 0 HB2 SER A 277 -7.961 -19.976 -2.365 1.00 0.00 H new ATOM 0 HB3 SER A 277 -8.488 -18.974 -3.703 1.00 0.00 H new ATOM 0 HG SER A 277 -8.412 -21.222 -4.266 1.00 0.00 H new ATOM 384 N ALA A 278 -7.788 -17.217 -2.137 1.00 0.00 N ATOM 385 CA ALA A 278 -8.075 -16.066 -1.287 1.00 0.00 C ATOM 386 C ALA A 278 -7.388 -14.807 -1.809 1.00 0.00 C ATOM 387 O ALA A 278 -6.957 -14.812 -2.982 1.00 0.00 O ATOM 388 CB ALA A 278 -7.650 -16.351 0.147 1.00 0.00 C ATOM 389 OXT ALA A 278 -7.287 -13.827 -1.042 1.00 0.00 O ATOM 0 H ALA A 278 -8.616 -17.676 -2.518 1.00 0.00 H new ATOM 0 HA ALA A 278 -9.151 -15.891 -1.307 1.00 0.00 H new ATOM 0 HB1 ALA A 278 -7.870 -15.484 0.771 1.00 0.00 H new ATOM 0 HB2 ALA A 278 -8.196 -17.216 0.523 1.00 0.00 H new ATOM 0 HB3 ALA A 278 -6.580 -16.557 0.175 1.00 0.00 H new TER 395 ALA A 278 ATOM 396 N MET B 1 -15.506 0.875 1.691 1.00 0.00 N ATOM 397 CA MET B 1 -15.290 0.465 3.103 1.00 0.00 C ATOM 398 C MET B 1 -14.133 1.249 3.732 1.00 0.00 C ATOM 399 O MET B 1 -14.003 2.454 3.511 1.00 0.00 O ATOM 400 CB MET B 1 -15.025 -1.048 3.137 1.00 0.00 C ATOM 401 CG MET B 1 -13.769 -1.483 2.394 1.00 0.00 C ATOM 402 SD MET B 1 -13.882 -1.240 0.611 1.00 0.00 S ATOM 403 CE MET B 1 -12.286 -1.859 0.087 1.00 0.00 C ATOM 0 H1 MET B 1 -16.499 1.153 1.558 1.00 0.00 H new ATOM 0 H2 MET B 1 -14.888 1.680 1.465 1.00 0.00 H new ATOM 0 H3 MET B 1 -15.282 0.079 1.060 1.00 0.00 H new ATOM 0 HA MET B 1 -16.179 0.689 3.692 1.00 0.00 H new ATOM 0 HB2 MET B 1 -14.947 -1.368 4.176 1.00 0.00 H new ATOM 0 HB3 MET B 1 -15.884 -1.565 2.708 1.00 0.00 H new ATOM 0 HG2 MET B 1 -12.915 -0.924 2.777 1.00 0.00 H new ATOM 0 HG3 MET B 1 -13.579 -2.536 2.600 1.00 0.00 H new ATOM 0 HE1 MET B 1 -12.202 -1.776 -0.997 1.00 0.00 H new ATOM 0 HE2 MET B 1 -11.496 -1.274 0.558 1.00 0.00 H new ATOM 0 HE3 MET B 1 -12.187 -2.904 0.380 1.00 0.00 H new ATOM 415 N GLN B 2 -13.296 0.570 4.517 1.00 0.00 N ATOM 416 CA GLN B 2 -12.164 1.222 5.170 1.00 0.00 C ATOM 417 C GLN B 2 -10.949 0.302 5.196 1.00 0.00 C ATOM 418 O GLN B 2 -11.049 -0.863 5.575 1.00 0.00 O ATOM 419 CB GLN B 2 -12.539 1.630 6.597 1.00 0.00 C ATOM 420 CG GLN B 2 -13.695 2.615 6.666 1.00 0.00 C ATOM 421 CD GLN B 2 -14.082 2.964 8.091 1.00 0.00 C ATOM 422 OE1 GLN B 2 -13.265 3.466 8.863 1.00 0.00 O ATOM 423 NE2 GLN B 2 -15.334 2.699 8.445 1.00 0.00 N ATOM 0 H GLN B 2 -13.381 -0.427 4.715 1.00 0.00 H new ATOM 0 HA GLN B 2 -11.910 2.114 4.598 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -12.800 0.737 7.164 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -11.667 2.071 7.080 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -13.423 3.527 6.134 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -14.558 2.192 6.152 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -15.977 2.282 7.772 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -15.653 2.912 9.390 1.00 0.00 H new ATOM 432 N ILE B 3 -9.803 0.835 4.784 1.00 0.00 N ATOM 433 CA ILE B 3 -8.563 0.067 4.751 1.00 0.00 C ATOM 434 C ILE B 3 -7.517 0.657 5.692 1.00 0.00 C ATOM 435 O ILE B 3 -7.470 1.871 5.903 1.00 0.00 O ATOM 436 CB ILE B 3 -7.978 0.007 3.327 1.00 0.00 C ATOM 437 CG1 ILE B 3 -7.688 1.421 2.812 1.00 0.00 C ATOM 438 CG2 ILE B 3 -8.934 -0.725 2.396 1.00 0.00 C ATOM 439 CD1 ILE B 3 -7.089 1.452 1.421 1.00 0.00 C ATOM 0 H ILE B 3 -9.707 1.800 4.467 1.00 0.00 H new ATOM 0 HA ILE B 3 -8.812 -0.942 5.080 1.00 0.00 H new ATOM 0 HB ILE B 3 -7.038 -0.545 3.354 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -8.615 1.995 2.812 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -7.006 1.917 3.503 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -8.509 -0.761 1.393 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -9.090 -1.740 2.760 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -9.888 -0.199 2.367 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -6.911 2.486 1.124 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -6.145 0.907 1.419 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -7.779 0.986 0.717 1.00 0.00 H new ATOM 451 N PHE B 4 -6.678 -0.210 6.254 1.00 0.00 N ATOM 452 CA PHE B 4 -5.627 0.224 7.169 1.00 0.00 C ATOM 453 C PHE B 4 -4.283 0.355 6.464 1.00 0.00 C ATOM 454 O PHE B 4 -3.822 -0.578 5.811 1.00 0.00 O ATOM 455 CB PHE B 4 -5.471 -0.763 8.328 1.00 0.00 C ATOM 456 CG PHE B 4 -6.407 -0.526 9.474 1.00 0.00 C ATOM 457 CD1 PHE B 4 -7.728 -0.938 9.412 1.00 0.00 C ATOM 458 CD2 PHE B 4 -5.954 0.095 10.626 1.00 0.00 C ATOM 459 CE1 PHE B 4 -8.580 -0.731 10.480 1.00 0.00 C ATOM 460 CE2 PHE B 4 -6.798 0.304 11.696 1.00 0.00 C ATOM 461 CZ PHE B 4 -8.115 -0.110 11.623 1.00 0.00 C ATOM 0 H PHE B 4 -6.706 -1.217 6.092 1.00 0.00 H new ATOM 0 HA PHE B 4 -5.928 1.201 7.548 1.00 0.00 H new ATOM 0 HB2 PHE B 4 -5.626 -1.774 7.951 1.00 0.00 H new ATOM 0 HB3 PHE B 4 -4.446 -0.714 8.696 1.00 0.00 H new ATOM 0 HD1 PHE B 4 -8.095 -1.425 8.521 1.00 0.00 H new ATOM 0 HD2 PHE B 4 -4.926 0.420 10.687 1.00 0.00 H new ATOM 0 HE1 PHE B 4 -9.609 -1.054 10.421 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -6.431 0.790 12.588 1.00 0.00 H new ATOM 0 HZ PHE B 4 -8.780 0.052 12.459 1.00 0.00 H new ATOM 471 N VAL B 5 -3.635 1.499 6.638 1.00 0.00 N ATOM 472 CA VAL B 5 -2.320 1.716 6.056 1.00 0.00 C ATOM 473 C VAL B 5 -1.260 1.211 7.027 1.00 0.00 C ATOM 474 O VAL B 5 -1.228 1.630 8.183 1.00 0.00 O ATOM 475 CB VAL B 5 -2.065 3.204 5.748 1.00 0.00 C ATOM 476 CG1 VAL B 5 -0.674 3.399 5.164 1.00 0.00 C ATOM 477 CG2 VAL B 5 -3.129 3.741 4.802 1.00 0.00 C ATOM 0 H VAL B 5 -3.997 2.287 7.175 1.00 0.00 H new ATOM 0 HA VAL B 5 -2.272 1.170 5.114 1.00 0.00 H new ATOM 0 HB VAL B 5 -2.123 3.765 6.681 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -0.513 4.456 4.953 1.00 0.00 H new ATOM 0 HG12 VAL B 5 0.073 3.054 5.879 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -0.584 2.827 4.241 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -2.934 4.793 4.595 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -3.105 3.177 3.870 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -4.111 3.638 5.263 1.00 0.00 H new ATOM 487 N LYS B 6 -0.414 0.295 6.572 1.00 0.00 N ATOM 488 CA LYS B 6 0.613 -0.270 7.440 1.00 0.00 C ATOM 489 C LYS B 6 1.958 -0.403 6.735 1.00 0.00 C ATOM 490 O LYS B 6 2.034 -0.792 5.567 1.00 0.00 O ATOM 491 CB LYS B 6 0.165 -1.643 7.949 1.00 0.00 C ATOM 492 CG LYS B 6 1.198 -2.341 8.820 1.00 0.00 C ATOM 493 CD LYS B 6 0.708 -3.705 9.281 1.00 0.00 C ATOM 494 CE LYS B 6 1.734 -4.400 10.162 1.00 0.00 C ATOM 495 NZ LYS B 6 2.027 -3.620 11.395 1.00 0.00 N ATOM 0 H LYS B 6 -0.417 -0.069 5.619 1.00 0.00 H new ATOM 0 HA LYS B 6 0.745 0.417 8.276 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -0.757 -1.526 8.518 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -0.066 -2.279 7.095 1.00 0.00 H new ATOM 0 HG2 LYS B 6 2.127 -2.456 8.262 1.00 0.00 H new ATOM 0 HG3 LYS B 6 1.422 -1.721 9.688 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -0.226 -3.590 9.831 1.00 0.00 H new ATOM 0 HD3 LYS B 6 0.492 -4.327 8.413 1.00 0.00 H new ATOM 0 HE2 LYS B 6 1.366 -5.389 10.437 1.00 0.00 H new ATOM 0 HE3 LYS B 6 2.655 -4.548 9.599 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 2.692 -4.152 11.992 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 2.449 -2.706 11.135 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 1.144 -3.457 11.920 1.00 0.00 H new ATOM 509 N THR B 7 3.022 -0.097 7.472 1.00 0.00 N ATOM 510 CA THR B 7 4.376 -0.204 6.944 1.00 0.00 C ATOM 511 C THR B 7 4.780 -1.673 6.854 1.00 0.00 C ATOM 512 O THR B 7 3.925 -2.545 6.697 1.00 0.00 O ATOM 513 CB THR B 7 5.389 0.553 7.827 1.00 0.00 C ATOM 514 OG1 THR B 7 5.402 -0.002 9.147 1.00 0.00 O ATOM 515 CG2 THR B 7 5.045 2.033 7.899 1.00 0.00 C ATOM 0 H THR B 7 2.971 0.227 8.438 1.00 0.00 H new ATOM 0 HA THR B 7 4.385 0.247 5.952 1.00 0.00 H new ATOM 0 HB THR B 7 6.377 0.446 7.379 1.00 0.00 H new ATOM 0 HG1 THR B 7 6.049 0.484 9.700 1.00 0.00 H new ATOM 0 HG21 THR B 7 5.773 2.546 8.527 1.00 0.00 H new ATOM 0 HG22 THR B 7 5.066 2.461 6.897 1.00 0.00 H new ATOM 0 HG23 THR B 7 4.049 2.155 8.325 1.00 0.00 H new ATOM 523 N LEU B 8 6.076 -1.952 6.965 1.00 0.00 N ATOM 524 CA LEU B 8 6.556 -3.328 6.907 1.00 0.00 C ATOM 525 C LEU B 8 5.921 -4.162 8.012 1.00 0.00 C ATOM 526 O LEU B 8 5.182 -5.110 7.744 1.00 0.00 O ATOM 527 CB LEU B 8 8.080 -3.369 7.043 1.00 0.00 C ATOM 528 CG LEU B 8 8.856 -2.790 5.860 1.00 0.00 C ATOM 529 CD1 LEU B 8 10.344 -2.747 6.171 1.00 0.00 C ATOM 530 CD2 LEU B 8 8.597 -3.612 4.607 1.00 0.00 C ATOM 0 H LEU B 8 6.806 -1.251 7.094 1.00 0.00 H new ATOM 0 HA LEU B 8 6.274 -3.746 5.941 1.00 0.00 H new ATOM 0 HB2 LEU B 8 8.363 -2.824 7.944 1.00 0.00 H new ATOM 0 HB3 LEU B 8 8.388 -4.405 7.187 1.00 0.00 H new ATOM 0 HG LEU B 8 8.512 -1.771 5.683 1.00 0.00 H new ATOM 0 HD11 LEU B 8 10.882 -2.332 5.319 1.00 0.00 H new ATOM 0 HD12 LEU B 8 10.515 -2.121 7.047 1.00 0.00 H new ATOM 0 HD13 LEU B 8 10.703 -3.757 6.371 1.00 0.00 H new ATOM 0 HD21 LEU B 8 9.156 -3.189 3.772 1.00 0.00 H new ATOM 0 HD22 LEU B 8 8.917 -4.640 4.774 1.00 0.00 H new ATOM 0 HD23 LEU B 8 7.532 -3.597 4.376 1.00 0.00 H new ATOM 542 N THR B 9 6.211 -3.792 9.256 1.00 0.00 N ATOM 543 CA THR B 9 5.675 -4.490 10.421 1.00 0.00 C ATOM 544 C THR B 9 5.596 -3.553 11.623 1.00 0.00 C ATOM 545 O THR B 9 6.152 -3.844 12.683 1.00 0.00 O ATOM 546 CB THR B 9 6.540 -5.712 10.799 1.00 0.00 C ATOM 547 OG1 THR B 9 7.904 -5.311 10.971 1.00 0.00 O ATOM 548 CG2 THR B 9 6.456 -6.799 9.737 1.00 0.00 C ATOM 0 H THR B 9 6.820 -3.006 9.484 1.00 0.00 H new ATOM 0 HA THR B 9 4.676 -4.833 10.153 1.00 0.00 H new ATOM 0 HB THR B 9 6.156 -6.118 11.735 1.00 0.00 H new ATOM 0 HG1 THR B 9 7.977 -4.725 11.753 1.00 0.00 H new ATOM 0 HG21 THR B 9 7.076 -7.645 10.033 1.00 0.00 H new ATOM 0 HG22 THR B 9 5.422 -7.126 9.632 1.00 0.00 H new ATOM 0 HG23 THR B 9 6.810 -6.405 8.784 1.00 0.00 H new ATOM 556 N GLY B 10 4.919 -2.418 11.454 1.00 0.00 N ATOM 557 CA GLY B 10 4.813 -1.464 12.542 1.00 0.00 C ATOM 558 C GLY B 10 3.578 -0.584 12.465 1.00 0.00 C ATOM 559 O GLY B 10 2.463 -1.043 12.712 1.00 0.00 O ATOM 0 H GLY B 10 4.447 -2.146 10.592 1.00 0.00 H new ATOM 0 HA2 GLY B 10 4.804 -2.005 13.488 1.00 0.00 H new ATOM 0 HA3 GLY B 10 5.700 -0.830 12.545 1.00 0.00 H new ATOM 563 N LYS B 11 3.791 0.692 12.155 1.00 0.00 N ATOM 564 CA LYS B 11 2.705 1.669 12.079 1.00 0.00 C ATOM 565 C LYS B 11 1.522 1.167 11.253 1.00 0.00 C ATOM 566 O LYS B 11 1.690 0.613 10.164 1.00 0.00 O ATOM 567 CB LYS B 11 3.216 2.987 11.493 1.00 0.00 C ATOM 568 CG LYS B 11 2.174 4.096 11.498 1.00 0.00 C ATOM 569 CD LYS B 11 2.702 5.372 10.861 1.00 0.00 C ATOM 570 CE LYS B 11 2.973 5.188 9.376 1.00 0.00 C ATOM 571 NZ LYS B 11 3.449 6.447 8.739 1.00 0.00 N ATOM 0 H LYS B 11 4.713 1.077 11.951 1.00 0.00 H new ATOM 0 HA LYS B 11 2.352 1.827 13.098 1.00 0.00 H new ATOM 0 HB2 LYS B 11 4.087 3.315 12.061 1.00 0.00 H new ATOM 0 HB3 LYS B 11 3.549 2.816 10.469 1.00 0.00 H new ATOM 0 HG2 LYS B 11 1.286 3.762 10.961 1.00 0.00 H new ATOM 0 HG3 LYS B 11 1.868 4.302 12.524 1.00 0.00 H new ATOM 0 HD2 LYS B 11 1.979 6.176 11.002 1.00 0.00 H new ATOM 0 HD3 LYS B 11 3.620 5.677 11.364 1.00 0.00 H new ATOM 0 HE2 LYS B 11 3.720 4.406 9.237 1.00 0.00 H new ATOM 0 HE3 LYS B 11 2.063 4.851 8.880 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 3.622 6.280 7.727 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 2.726 7.187 8.849 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 4.331 6.755 9.195 1.00 0.00 H new ATOM 585 N THR B 12 0.323 1.392 11.793 1.00 0.00 N ATOM 586 CA THR B 12 -0.925 1.001 11.143 1.00 0.00 C ATOM 587 C THR B 12 -2.040 1.965 11.546 1.00 0.00 C ATOM 588 O THR B 12 -2.182 2.291 12.725 1.00 0.00 O ATOM 589 CB THR B 12 -1.336 -0.434 11.522 1.00 0.00 C ATOM 590 OG1 THR B 12 -0.275 -1.346 11.216 1.00 0.00 O ATOM 591 CG2 THR B 12 -2.595 -0.850 10.778 1.00 0.00 C ATOM 0 H THR B 12 0.192 1.851 12.694 1.00 0.00 H new ATOM 0 HA THR B 12 -0.765 1.038 10.065 1.00 0.00 H new ATOM 0 HB THR B 12 -1.539 -0.458 12.593 1.00 0.00 H new ATOM 0 HG1 THR B 12 -0.476 -2.223 11.604 1.00 0.00 H new ATOM 0 HG21 THR B 12 -2.866 -1.867 11.062 1.00 0.00 H new ATOM 0 HG22 THR B 12 -3.410 -0.173 11.034 1.00 0.00 H new ATOM 0 HG23 THR B 12 -2.413 -0.809 9.704 1.00 0.00 H new ATOM 599 N ILE B 13 -2.820 2.438 10.570 1.00 0.00 N ATOM 600 CA ILE B 13 -3.900 3.386 10.855 1.00 0.00 C ATOM 601 C ILE B 13 -5.076 3.248 9.890 1.00 0.00 C ATOM 602 O ILE B 13 -4.898 2.985 8.702 1.00 0.00 O ATOM 603 CB ILE B 13 -3.385 4.842 10.808 1.00 0.00 C ATOM 604 CG1 ILE B 13 -2.446 5.106 11.985 1.00 0.00 C ATOM 605 CG2 ILE B 13 -4.547 5.830 10.807 1.00 0.00 C ATOM 606 CD1 ILE B 13 -1.909 6.517 12.028 1.00 0.00 C ATOM 0 H ILE B 13 -2.726 2.184 9.587 1.00 0.00 H new ATOM 0 HA ILE B 13 -4.252 3.146 11.858 1.00 0.00 H new ATOM 0 HB ILE B 13 -2.828 4.983 9.882 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -2.976 4.900 12.915 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -1.609 4.409 11.934 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -4.159 6.848 10.774 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -5.175 5.652 9.934 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -5.139 5.697 11.713 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -1.251 6.630 12.889 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -1.350 6.722 11.115 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -2.738 7.220 12.111 1.00 0.00 H new ATOM 618 N THR B 14 -6.280 3.444 10.425 1.00 0.00 N ATOM 619 CA THR B 14 -7.506 3.362 9.640 1.00 0.00 C ATOM 620 C THR B 14 -7.536 4.433 8.555 1.00 0.00 C ATOM 621 O THR B 14 -7.074 5.555 8.765 1.00 0.00 O ATOM 622 CB THR B 14 -8.752 3.550 10.526 1.00 0.00 C ATOM 623 OG1 THR B 14 -8.685 2.693 11.669 1.00 0.00 O ATOM 624 CG2 THR B 14 -10.024 3.255 9.744 1.00 0.00 C ATOM 0 H THR B 14 -6.431 3.663 11.410 1.00 0.00 H new ATOM 0 HA THR B 14 -7.520 2.371 9.187 1.00 0.00 H new ATOM 0 HB THR B 14 -8.775 4.589 10.855 1.00 0.00 H new ATOM 0 HG1 THR B 14 -8.171 1.889 11.446 1.00 0.00 H new ATOM 0 HG21 THR B 14 -10.890 3.395 10.391 1.00 0.00 H new ATOM 0 HG22 THR B 14 -10.094 3.933 8.893 1.00 0.00 H new ATOM 0 HG23 THR B 14 -10.001 2.226 9.386 1.00 0.00 H new ATOM 632 N LEU B 15 -8.101 4.088 7.403 1.00 0.00 N ATOM 633 CA LEU B 15 -8.211 5.030 6.297 1.00 0.00 C ATOM 634 C LEU B 15 -9.436 4.691 5.453 1.00 0.00 C ATOM 635 O LEU B 15 -9.470 3.669 4.770 1.00 0.00 O ATOM 636 CB LEU B 15 -6.933 4.998 5.447 1.00 0.00 C ATOM 637 CG LEU B 15 -6.673 6.239 4.581 1.00 0.00 C ATOM 638 CD1 LEU B 15 -7.773 6.433 3.549 1.00 0.00 C ATOM 639 CD2 LEU B 15 -6.536 7.478 5.454 1.00 0.00 C ATOM 0 H LEU B 15 -8.489 3.164 7.212 1.00 0.00 H new ATOM 0 HA LEU B 15 -8.330 6.039 6.691 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -6.081 4.858 6.112 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -6.975 4.126 4.795 1.00 0.00 H new ATOM 0 HG LEU B 15 -5.737 6.083 4.045 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -7.560 7.320 2.952 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -7.819 5.560 2.898 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -8.730 6.559 4.056 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -6.352 8.348 4.824 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -7.455 7.628 6.020 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -5.702 7.347 6.144 1.00 0.00 H new ATOM 651 N GLU B 16 -10.448 5.552 5.524 1.00 0.00 N ATOM 652 CA GLU B 16 -11.689 5.344 4.786 1.00 0.00 C ATOM 653 C GLU B 16 -11.484 5.518 3.285 1.00 0.00 C ATOM 654 O GLU B 16 -10.869 6.486 2.838 1.00 0.00 O ATOM 655 CB GLU B 16 -12.766 6.313 5.280 1.00 0.00 C ATOM 656 CG GLU B 16 -14.095 6.151 4.581 1.00 0.00 C ATOM 657 CD GLU B 16 -15.150 7.115 5.088 1.00 0.00 C ATOM 658 OE1 GLU B 16 -14.834 7.925 5.986 1.00 0.00 O ATOM 659 OE2 GLU B 16 -16.293 7.062 4.587 1.00 0.00 O ATOM 0 H GLU B 16 -10.432 6.402 6.087 1.00 0.00 H new ATOM 0 HA GLU B 16 -12.013 4.319 4.965 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -12.909 6.168 6.351 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -12.414 7.335 5.140 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -13.957 6.301 3.510 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -14.449 5.129 4.716 1.00 0.00 H new ATOM 666 N VAL B 17 -12.016 4.571 2.514 1.00 0.00 N ATOM 667 CA VAL B 17 -11.908 4.607 1.058 1.00 0.00 C ATOM 668 C VAL B 17 -13.102 3.918 0.402 1.00 0.00 C ATOM 669 O VAL B 17 -13.444 2.785 0.741 1.00 0.00 O ATOM 670 CB VAL B 17 -10.610 3.929 0.564 1.00 0.00 C ATOM 671 CG1 VAL B 17 -9.384 4.711 1.009 1.00 0.00 C ATOM 672 CG2 VAL B 17 -10.535 2.491 1.057 1.00 0.00 C ATOM 0 H VAL B 17 -12.528 3.767 2.876 1.00 0.00 H new ATOM 0 HA VAL B 17 -11.889 5.659 0.773 1.00 0.00 H new ATOM 0 HB VAL B 17 -10.628 3.920 -0.526 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -8.484 4.213 0.648 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -9.428 5.721 0.600 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -9.360 4.761 2.098 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -9.614 2.031 0.699 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -10.546 2.479 2.147 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -11.391 1.932 0.679 1.00 0.00 H new ATOM 682 N GLU B 18 -13.731 4.610 -0.543 1.00 0.00 N ATOM 683 CA GLU B 18 -14.883 4.063 -1.251 1.00 0.00 C ATOM 684 C GLU B 18 -14.436 3.080 -2.329 1.00 0.00 C ATOM 685 O GLU B 18 -13.418 3.292 -2.988 1.00 0.00 O ATOM 686 CB GLU B 18 -15.709 5.188 -1.878 1.00 0.00 C ATOM 687 CG GLU B 18 -16.219 6.207 -0.871 1.00 0.00 C ATOM 688 CD GLU B 18 -17.104 5.586 0.192 1.00 0.00 C ATOM 689 OE1 GLU B 18 -18.148 5.004 -0.171 1.00 0.00 O ATOM 690 OE2 GLU B 18 -16.753 5.681 1.387 1.00 0.00 O ATOM 0 H GLU B 18 -13.463 5.549 -0.836 1.00 0.00 H new ATOM 0 HA GLU B 18 -15.503 3.530 -0.530 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -15.101 5.700 -2.624 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -16.559 4.753 -2.404 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -15.370 6.695 -0.392 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -16.777 6.982 -1.396 1.00 0.00 H new ATOM 697 N SER B 19 -15.201 2.005 -2.502 1.00 0.00 N ATOM 698 CA SER B 19 -14.879 0.992 -3.502 1.00 0.00 C ATOM 699 C SER B 19 -14.691 1.629 -4.876 1.00 0.00 C ATOM 700 O SER B 19 -13.770 1.277 -5.614 1.00 0.00 O ATOM 701 CB SER B 19 -15.983 -0.066 -3.565 1.00 0.00 C ATOM 702 OG SER B 19 -15.684 -1.059 -4.530 1.00 0.00 O ATOM 0 H SER B 19 -16.046 1.814 -1.964 1.00 0.00 H new ATOM 0 HA SER B 19 -13.945 0.513 -3.210 1.00 0.00 H new ATOM 0 HB2 SER B 19 -16.102 -0.530 -2.586 1.00 0.00 H new ATOM 0 HB3 SER B 19 -16.933 0.409 -3.810 1.00 0.00 H new ATOM 0 HG SER B 19 -16.404 -1.724 -4.549 1.00 0.00 H new ATOM 708 N SER B 20 -15.569 2.569 -5.210 1.00 0.00 N ATOM 709 CA SER B 20 -15.505 3.263 -6.493 1.00 0.00 C ATOM 710 C SER B 20 -14.226 4.087 -6.609 1.00 0.00 C ATOM 711 O SER B 20 -13.619 4.160 -7.679 1.00 0.00 O ATOM 712 CB SER B 20 -16.723 4.171 -6.665 1.00 0.00 C ATOM 713 OG SER B 20 -17.928 3.427 -6.616 1.00 0.00 O ATOM 0 H SER B 20 -16.336 2.869 -4.608 1.00 0.00 H new ATOM 0 HA SER B 20 -15.502 2.511 -7.282 1.00 0.00 H new ATOM 0 HB2 SER B 20 -16.728 4.929 -5.882 1.00 0.00 H new ATOM 0 HB3 SER B 20 -16.656 4.697 -7.617 1.00 0.00 H new ATOM 0 HG SER B 20 -18.691 4.032 -6.727 1.00 0.00 H new ATOM 719 N ASP B 21 -13.827 4.712 -5.504 1.00 0.00 N ATOM 720 CA ASP B 21 -12.625 5.540 -5.481 1.00 0.00 C ATOM 721 C ASP B 21 -11.405 4.760 -5.956 1.00 0.00 C ATOM 722 O ASP B 21 -11.171 3.628 -5.531 1.00 0.00 O ATOM 723 CB ASP B 21 -12.378 6.084 -4.072 1.00 0.00 C ATOM 724 CG ASP B 21 -13.498 6.990 -3.595 1.00 0.00 C ATOM 725 OD1 ASP B 21 -14.460 7.203 -4.364 1.00 0.00 O ATOM 726 OD2 ASP B 21 -13.411 7.487 -2.453 1.00 0.00 O ATOM 0 H ASP B 21 -14.319 4.660 -4.612 1.00 0.00 H new ATOM 0 HA ASP B 21 -12.785 6.374 -6.165 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -12.269 5.251 -3.378 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -11.438 6.636 -4.058 1.00 0.00 H new ATOM 731 N THR B 22 -10.632 5.381 -6.840 1.00 0.00 N ATOM 732 CA THR B 22 -9.430 4.762 -7.384 1.00 0.00 C ATOM 733 C THR B 22 -8.269 4.850 -6.398 1.00 0.00 C ATOM 734 O THR B 22 -8.376 5.500 -5.358 1.00 0.00 O ATOM 735 CB THR B 22 -9.014 5.425 -8.710 1.00 0.00 C ATOM 736 OG1 THR B 22 -8.694 6.804 -8.489 1.00 0.00 O ATOM 737 CG2 THR B 22 -10.130 5.318 -9.740 1.00 0.00 C ATOM 0 H THR B 22 -10.818 6.318 -7.197 1.00 0.00 H new ATOM 0 HA THR B 22 -9.667 3.714 -7.566 1.00 0.00 H new ATOM 0 HB THR B 22 -8.135 4.905 -9.092 1.00 0.00 H new ATOM 0 HG1 THR B 22 -9.421 7.233 -7.991 1.00 0.00 H new ATOM 0 HG21 THR B 22 -9.814 5.793 -10.669 1.00 0.00 H new ATOM 0 HG22 THR B 22 -10.353 4.268 -9.927 1.00 0.00 H new ATOM 0 HG23 THR B 22 -11.023 5.817 -9.362 1.00 0.00 H new ATOM 745 N ILE B 23 -7.162 4.193 -6.732 1.00 0.00 N ATOM 746 CA ILE B 23 -5.979 4.199 -5.878 1.00 0.00 C ATOM 747 C ILE B 23 -5.484 5.621 -5.638 1.00 0.00 C ATOM 748 O ILE B 23 -5.096 5.973 -4.524 1.00 0.00 O ATOM 749 CB ILE B 23 -4.838 3.363 -6.490 1.00 0.00 C ATOM 750 CG1 ILE B 23 -5.288 1.912 -6.693 1.00 0.00 C ATOM 751 CG2 ILE B 23 -3.598 3.422 -5.608 1.00 0.00 C ATOM 752 CD1 ILE B 23 -5.639 1.196 -5.406 1.00 0.00 C ATOM 0 H ILE B 23 -7.060 3.649 -7.589 1.00 0.00 H new ATOM 0 HA ILE B 23 -6.272 3.754 -4.927 1.00 0.00 H new ATOM 0 HB ILE B 23 -4.585 3.784 -7.463 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -6.155 1.899 -7.353 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -4.494 1.362 -7.199 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -2.804 2.826 -6.057 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -3.267 4.456 -5.515 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -3.835 3.026 -4.620 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -5.948 0.175 -5.630 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -4.768 1.176 -4.752 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -6.454 1.721 -4.908 1.00 0.00 H new ATOM 764 N ASP B 24 -5.504 6.435 -6.690 1.00 0.00 N ATOM 765 CA ASP B 24 -5.063 7.822 -6.592 1.00 0.00 C ATOM 766 C ASP B 24 -5.840 8.547 -5.498 1.00 0.00 C ATOM 767 O ASP B 24 -5.258 9.243 -4.663 1.00 0.00 O ATOM 768 CB ASP B 24 -5.252 8.533 -7.935 1.00 0.00 C ATOM 769 CG ASP B 24 -4.724 9.956 -7.924 1.00 0.00 C ATOM 770 OD1 ASP B 24 -4.169 10.380 -6.889 1.00 0.00 O ATOM 771 OD2 ASP B 24 -4.862 10.646 -8.957 1.00 0.00 O ATOM 0 H ASP B 24 -5.821 6.158 -7.619 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.004 7.835 -6.335 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -4.744 7.967 -8.716 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -6.312 8.545 -8.189 1.00 0.00 H new ATOM 776 N ASN B 25 -7.158 8.365 -5.500 1.00 0.00 N ATOM 777 CA ASN B 25 -8.020 8.986 -4.501 1.00 0.00 C ATOM 778 C ASN B 25 -7.614 8.541 -3.100 1.00 0.00 C ATOM 779 O ASN B 25 -7.605 9.336 -2.159 1.00 0.00 O ATOM 780 CB ASN B 25 -9.484 8.630 -4.769 1.00 0.00 C ATOM 781 CG ASN B 25 -10.003 9.257 -6.047 1.00 0.00 C ATOM 782 OD1 ASN B 25 -10.427 8.421 -6.985 1.00 0.00 O flip ATOM 783 ND2 ASN B 25 -10.021 10.480 -6.189 1.00 0.00 N flip ATOM 0 H ASN B 25 -7.652 7.791 -6.184 1.00 0.00 H new ATOM 0 HA ASN B 25 -7.907 10.068 -4.568 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -9.587 7.547 -4.831 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -10.096 8.961 -3.930 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -9.685 11.085 -5.440 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -10.372 10.888 -7.055 1.00 0.00 H new ATOM 790 N VAL B 26 -7.263 7.266 -2.973 1.00 0.00 N ATOM 791 CA VAL B 26 -6.840 6.720 -1.693 1.00 0.00 C ATOM 792 C VAL B 26 -5.593 7.443 -1.195 1.00 0.00 C ATOM 793 O VAL B 26 -5.494 7.793 -0.021 1.00 0.00 O ATOM 794 CB VAL B 26 -6.549 5.211 -1.794 1.00 0.00 C ATOM 795 CG1 VAL B 26 -6.124 4.652 -0.444 1.00 0.00 C ATOM 796 CG2 VAL B 26 -7.768 4.472 -2.325 1.00 0.00 C ATOM 0 H VAL B 26 -7.264 6.594 -3.740 1.00 0.00 H new ATOM 0 HA VAL B 26 -7.657 6.869 -0.987 1.00 0.00 H new ATOM 0 HB VAL B 26 -5.726 5.064 -2.493 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -5.924 3.585 -0.539 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -5.222 5.162 -0.107 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -6.922 4.808 0.282 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -7.547 3.407 -2.391 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -8.610 4.627 -1.650 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -8.021 4.852 -3.315 1.00 0.00 H new ATOM 806 N LYS B 27 -4.647 7.670 -2.104 1.00 0.00 N ATOM 807 CA LYS B 27 -3.407 8.361 -1.766 1.00 0.00 C ATOM 808 C LYS B 27 -3.681 9.769 -1.254 1.00 0.00 C ATOM 809 O LYS B 27 -3.105 10.193 -0.253 1.00 0.00 O ATOM 810 CB LYS B 27 -2.481 8.427 -2.982 1.00 0.00 C ATOM 811 CG LYS B 27 -1.841 7.097 -3.341 1.00 0.00 C ATOM 812 CD LYS B 27 -0.847 6.659 -2.278 1.00 0.00 C ATOM 813 CE LYS B 27 -0.121 5.387 -2.680 1.00 0.00 C ATOM 814 NZ LYS B 27 0.902 4.994 -1.673 1.00 0.00 N ATOM 0 H LYS B 27 -4.717 7.385 -3.081 1.00 0.00 H new ATOM 0 HA LYS B 27 -2.920 7.794 -0.973 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -3.048 8.789 -3.839 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -1.695 9.157 -2.789 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -2.614 6.337 -3.454 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -1.335 7.182 -4.303 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -0.121 7.454 -2.108 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -1.370 6.498 -1.335 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -0.843 4.579 -2.800 1.00 0.00 H new ATOM 0 HE3 LYS B 27 0.359 5.532 -3.648 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 1.021 3.961 -1.684 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 1.808 5.449 -1.903 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 0.593 5.297 -0.727 1.00 0.00 H new ATOM 828 N SER B 28 -4.558 10.494 -1.946 1.00 0.00 N ATOM 829 CA SER B 28 -4.892 11.857 -1.547 1.00 0.00 C ATOM 830 C SER B 28 -5.436 11.881 -0.122 1.00 0.00 C ATOM 831 O SER B 28 -5.014 12.697 0.697 1.00 0.00 O ATOM 832 CB SER B 28 -5.910 12.472 -2.512 1.00 0.00 C ATOM 833 OG SER B 28 -7.135 11.763 -2.488 1.00 0.00 O ATOM 0 H SER B 28 -5.046 10.163 -2.778 1.00 0.00 H new ATOM 0 HA SER B 28 -3.980 12.452 -1.582 1.00 0.00 H new ATOM 0 HB2 SER B 28 -6.085 13.514 -2.244 1.00 0.00 H new ATOM 0 HB3 SER B 28 -5.504 12.467 -3.524 1.00 0.00 H new ATOM 0 HG SER B 28 -6.961 10.816 -2.304 1.00 0.00 H new ATOM 839 N LYS B 29 -6.366 10.975 0.172 1.00 0.00 N ATOM 840 CA LYS B 29 -6.956 10.893 1.506 1.00 0.00 C ATOM 841 C LYS B 29 -5.892 10.567 2.550 1.00 0.00 C ATOM 842 O LYS B 29 -5.853 11.179 3.617 1.00 0.00 O ATOM 843 CB LYS B 29 -8.058 9.833 1.538 1.00 0.00 C ATOM 844 CG LYS B 29 -9.202 10.113 0.577 1.00 0.00 C ATOM 845 CD LYS B 29 -10.275 9.040 0.662 1.00 0.00 C ATOM 846 CE LYS B 29 -11.395 9.289 -0.334 1.00 0.00 C ATOM 847 NZ LYS B 29 -12.068 10.597 -0.103 1.00 0.00 N ATOM 0 H LYS B 29 -6.726 10.290 -0.492 1.00 0.00 H new ATOM 0 HA LYS B 29 -7.390 11.864 1.743 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -7.624 8.862 1.299 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -8.455 9.764 2.551 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -9.639 11.085 0.804 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -8.818 10.166 -0.442 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -9.830 8.063 0.473 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -10.685 9.013 1.672 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -10.992 9.263 -1.346 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -12.129 8.486 -0.262 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -12.936 10.647 -0.674 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -12.311 10.689 0.904 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -11.428 11.370 -0.377 1.00 0.00 H new ATOM 861 N ILE B 30 -5.027 9.606 2.235 1.00 0.00 N ATOM 862 CA ILE B 30 -3.962 9.212 3.149 1.00 0.00 C ATOM 863 C ILE B 30 -3.053 10.397 3.453 1.00 0.00 C ATOM 864 O ILE B 30 -2.646 10.603 4.593 1.00 0.00 O ATOM 865 CB ILE B 30 -3.119 8.053 2.578 1.00 0.00 C ATOM 866 CG1 ILE B 30 -3.995 6.816 2.369 1.00 0.00 C ATOM 867 CG2 ILE B 30 -1.954 7.734 3.505 1.00 0.00 C ATOM 868 CD1 ILE B 30 -3.267 5.656 1.724 1.00 0.00 C ATOM 0 H ILE B 30 -5.044 9.088 1.356 1.00 0.00 H new ATOM 0 HA ILE B 30 -4.437 8.870 4.068 1.00 0.00 H new ATOM 0 HB ILE B 30 -2.714 8.358 1.613 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -4.390 6.495 3.333 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -4.849 7.087 1.749 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -1.370 6.914 3.087 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -1.320 8.615 3.609 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -2.337 7.445 4.484 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -3.952 4.816 1.608 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -2.895 5.959 0.745 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -2.429 5.357 2.354 1.00 0.00 H new ATOM 880 N GLN B 31 -2.748 11.182 2.426 1.00 0.00 N ATOM 881 CA GLN B 31 -1.900 12.356 2.590 1.00 0.00 C ATOM 882 C GLN B 31 -2.579 13.368 3.505 1.00 0.00 C ATOM 883 O GLN B 31 -1.938 13.994 4.346 1.00 0.00 O ATOM 884 CB GLN B 31 -1.607 12.995 1.231 1.00 0.00 C ATOM 885 CG GLN B 31 -0.750 14.248 1.318 1.00 0.00 C ATOM 886 CD GLN B 31 -0.516 14.889 -0.036 1.00 0.00 C ATOM 887 OE1 GLN B 31 0.747 14.990 -0.432 1.00 0.00 O flip ATOM 888 NE2 GLN B 31 -1.459 15.289 -0.718 1.00 0.00 N flip ATOM 0 H GLN B 31 -3.075 11.027 1.472 1.00 0.00 H new ATOM 0 HA GLN B 31 -0.958 12.045 3.041 1.00 0.00 H new ATOM 0 HB2 GLN B 31 -1.104 12.265 0.597 1.00 0.00 H new ATOM 0 HB3 GLN B 31 -2.550 13.244 0.745 1.00 0.00 H new ATOM 0 HG2 GLN B 31 -1.232 14.969 1.979 1.00 0.00 H new ATOM 0 HG3 GLN B 31 0.210 13.996 1.768 1.00 0.00 H new ATOM 0 HE21 GLN B 31 -2.414 15.191 -0.375 1.00 0.00 H new ATOM 0 HE22 GLN B 31 -1.285 15.718 -1.627 1.00 0.00 H new ATOM 897 N ASP B 32 -3.886 13.517 3.328 1.00 0.00 N ATOM 898 CA ASP B 32 -4.675 14.443 4.119 1.00 0.00 C ATOM 899 C ASP B 32 -4.687 14.059 5.598 1.00 0.00 C ATOM 900 O ASP B 32 -4.517 14.913 6.469 1.00 0.00 O ATOM 901 CB ASP B 32 -6.101 14.480 3.571 1.00 0.00 C ATOM 902 CG ASP B 32 -6.191 15.202 2.241 1.00 0.00 C ATOM 903 OD1 ASP B 32 -5.778 16.379 2.176 1.00 0.00 O ATOM 904 OD2 ASP B 32 -6.679 14.594 1.266 1.00 0.00 O ATOM 0 H ASP B 32 -4.424 12.999 2.633 1.00 0.00 H new ATOM 0 HA ASP B 32 -4.221 15.431 4.046 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -6.469 13.461 3.453 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -6.752 14.972 4.293 1.00 0.00 H new ATOM 909 N LYS B 33 -4.904 12.777 5.875 1.00 0.00 N ATOM 910 CA LYS B 33 -4.958 12.289 7.251 1.00 0.00 C ATOM 911 C LYS B 33 -3.558 12.057 7.821 1.00 0.00 C ATOM 912 O LYS B 33 -3.163 12.692 8.799 1.00 0.00 O ATOM 913 CB LYS B 33 -5.773 10.989 7.303 1.00 0.00 C ATOM 914 CG LYS B 33 -6.190 10.563 8.706 1.00 0.00 C ATOM 915 CD LYS B 33 -5.029 9.976 9.495 1.00 0.00 C ATOM 916 CE LYS B 33 -5.450 9.602 10.908 1.00 0.00 C ATOM 917 NZ LYS B 33 -6.546 8.595 10.915 1.00 0.00 N ATOM 0 H LYS B 33 -5.045 12.057 5.166 1.00 0.00 H new ATOM 0 HA LYS B 33 -5.441 13.050 7.864 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -6.668 11.111 6.692 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -5.186 10.188 6.853 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -6.593 11.423 9.241 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -6.991 9.826 8.638 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -4.648 9.093 8.982 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -4.213 10.698 9.536 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -4.591 9.206 11.450 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -5.776 10.497 11.438 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -6.665 8.218 11.877 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -7.432 9.044 10.607 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -6.308 7.818 10.266 1.00 0.00 H new ATOM 931 N GLU B 34 -2.826 11.130 7.214 1.00 0.00 N ATOM 932 CA GLU B 34 -1.479 10.787 7.662 1.00 0.00 C ATOM 933 C GLU B 34 -0.506 11.953 7.509 1.00 0.00 C ATOM 934 O GLU B 34 0.363 12.156 8.357 1.00 0.00 O ATOM 935 CB GLU B 34 -0.961 9.573 6.888 1.00 0.00 C ATOM 936 CG GLU B 34 -1.801 8.320 7.083 1.00 0.00 C ATOM 937 CD GLU B 34 -1.775 7.810 8.513 1.00 0.00 C ATOM 938 OE1 GLU B 34 -2.229 8.543 9.416 1.00 0.00 O ATOM 939 OE2 GLU B 34 -1.298 6.676 8.728 1.00 0.00 O ATOM 0 H GLU B 34 -3.145 10.598 6.404 1.00 0.00 H new ATOM 0 HA GLU B 34 -1.541 10.548 8.724 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -0.929 9.817 5.826 1.00 0.00 H new ATOM 0 HB3 GLU B 34 0.063 9.365 7.198 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -2.831 8.531 6.796 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -1.438 7.538 6.417 1.00 0.00 H new ATOM 946 N GLY B 35 -0.641 12.708 6.423 1.00 0.00 N ATOM 947 CA GLY B 35 0.253 13.829 6.193 1.00 0.00 C ATOM 948 C GLY B 35 1.540 13.406 5.509 1.00 0.00 C ATOM 949 O GLY B 35 2.633 13.753 5.956 1.00 0.00 O ATOM 0 H GLY B 35 -1.349 12.565 5.702 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -0.253 14.575 5.581 1.00 0.00 H new ATOM 0 HA3 GLY B 35 0.489 14.304 7.145 1.00 0.00 H new ATOM 953 N ILE B 36 1.405 12.651 4.421 1.00 0.00 N ATOM 954 CA ILE B 36 2.559 12.170 3.668 1.00 0.00 C ATOM 955 C ILE B 36 2.263 12.152 2.168 1.00 0.00 C ATOM 956 O ILE B 36 1.213 11.673 1.742 1.00 0.00 O ATOM 957 CB ILE B 36 2.968 10.750 4.118 1.00 0.00 C ATOM 958 CG1 ILE B 36 3.424 10.766 5.580 1.00 0.00 C ATOM 959 CG2 ILE B 36 4.065 10.194 3.217 1.00 0.00 C ATOM 960 CD1 ILE B 36 3.795 9.400 6.118 1.00 0.00 C ATOM 0 H ILE B 36 0.505 12.359 4.041 1.00 0.00 H new ATOM 0 HA ILE B 36 3.381 12.857 3.867 1.00 0.00 H new ATOM 0 HB ILE B 36 2.099 10.097 4.035 1.00 0.00 H new ATOM 0 HG12 ILE B 36 4.283 11.430 5.676 1.00 0.00 H new ATOM 0 HG13 ILE B 36 2.627 11.185 6.195 1.00 0.00 H new ATOM 0 HG21 ILE B 36 4.338 9.193 3.552 1.00 0.00 H new ATOM 0 HG22 ILE B 36 3.703 10.147 2.190 1.00 0.00 H new ATOM 0 HG23 ILE B 36 4.939 10.844 3.265 1.00 0.00 H new ATOM 0 HD11 ILE B 36 4.108 9.491 7.158 1.00 0.00 H new ATOM 0 HD12 ILE B 36 2.932 8.738 6.055 1.00 0.00 H new ATOM 0 HD13 ILE B 36 4.613 8.987 5.528 1.00 0.00 H new ATOM 972 N PRO B 37 3.189 12.680 1.343 1.00 0.00 N ATOM 973 CA PRO B 37 3.017 12.721 -0.114 1.00 0.00 C ATOM 974 C PRO B 37 2.824 11.331 -0.719 1.00 0.00 C ATOM 975 O PRO B 37 3.513 10.381 -0.346 1.00 0.00 O ATOM 976 CB PRO B 37 4.322 13.350 -0.623 1.00 0.00 C ATOM 977 CG PRO B 37 5.289 13.219 0.504 1.00 0.00 C ATOM 978 CD PRO B 37 4.469 13.277 1.759 1.00 0.00 C ATOM 0 HA PRO B 37 2.125 13.281 -0.395 1.00 0.00 H new ATOM 0 HB2 PRO B 37 4.685 12.837 -1.514 1.00 0.00 H new ATOM 0 HB3 PRO B 37 4.175 14.395 -0.895 1.00 0.00 H new ATOM 0 HG2 PRO B 37 5.839 12.280 0.440 1.00 0.00 H new ATOM 0 HG3 PRO B 37 6.026 14.022 0.482 1.00 0.00 H new ATOM 0 HD2 PRO B 37 4.932 12.715 2.570 1.00 0.00 H new ATOM 0 HD3 PRO B 37 4.342 14.301 2.112 1.00 0.00 H new ATOM 986 N PRO B 38 1.876 11.195 -1.668 1.00 0.00 N ATOM 987 CA PRO B 38 1.588 9.916 -2.330 1.00 0.00 C ATOM 988 C PRO B 38 2.795 9.364 -3.081 1.00 0.00 C ATOM 989 O PRO B 38 3.020 8.155 -3.110 1.00 0.00 O ATOM 990 CB PRO B 38 0.465 10.258 -3.317 1.00 0.00 C ATOM 991 CG PRO B 38 -0.119 11.534 -2.817 1.00 0.00 C ATOM 992 CD PRO B 38 1.011 12.277 -2.169 1.00 0.00 C ATOM 0 HA PRO B 38 1.319 9.145 -1.608 1.00 0.00 H new ATOM 0 HB2 PRO B 38 0.852 10.372 -4.330 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -0.285 9.468 -3.349 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -0.550 12.113 -3.634 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -0.921 11.344 -2.104 1.00 0.00 H new ATOM 0 HD2 PRO B 38 1.535 12.915 -2.881 1.00 0.00 H new ATOM 0 HD3 PRO B 38 0.661 12.920 -1.362 1.00 0.00 H new ATOM 1000 N ASP B 39 3.557 10.260 -3.700 1.00 0.00 N ATOM 1001 CA ASP B 39 4.735 9.872 -4.470 1.00 0.00 C ATOM 1002 C ASP B 39 5.720 9.061 -3.632 1.00 0.00 C ATOM 1003 O ASP B 39 6.204 8.018 -4.070 1.00 0.00 O ATOM 1004 CB ASP B 39 5.432 11.115 -5.026 1.00 0.00 C ATOM 1005 CG ASP B 39 4.542 11.905 -5.965 1.00 0.00 C ATOM 1006 OD1 ASP B 39 3.465 12.358 -5.523 1.00 0.00 O ATOM 1007 OD2 ASP B 39 4.924 12.074 -7.142 1.00 0.00 O ATOM 0 H ASP B 39 3.379 11.264 -3.683 1.00 0.00 H new ATOM 0 HA ASP B 39 4.396 9.241 -5.292 1.00 0.00 H new ATOM 0 HB2 ASP B 39 5.742 11.755 -4.200 1.00 0.00 H new ATOM 0 HB3 ASP B 39 6.337 10.815 -5.554 1.00 0.00 H new ATOM 1012 N GLN B 40 6.025 9.548 -2.433 1.00 0.00 N ATOM 1013 CA GLN B 40 6.966 8.862 -1.553 1.00 0.00 C ATOM 1014 C GLN B 40 6.440 7.496 -1.124 1.00 0.00 C ATOM 1015 O GLN B 40 7.107 6.479 -1.309 1.00 0.00 O ATOM 1016 CB GLN B 40 7.264 9.713 -0.316 1.00 0.00 C ATOM 1017 CG GLN B 40 7.929 11.043 -0.634 1.00 0.00 C ATOM 1018 CD GLN B 40 8.283 11.843 0.609 1.00 0.00 C ATOM 1019 OE1 GLN B 40 7.981 11.296 1.784 1.00 0.00 O flip ATOM 1020 NE2 GLN B 40 8.827 12.943 0.515 1.00 0.00 N flip ATOM 0 H GLN B 40 5.637 10.410 -2.050 1.00 0.00 H new ATOM 0 HA GLN B 40 7.887 8.711 -2.116 1.00 0.00 H new ATOM 0 HB2 GLN B 40 6.332 9.901 0.217 1.00 0.00 H new ATOM 0 HB3 GLN B 40 7.908 9.147 0.357 1.00 0.00 H new ATOM 0 HG2 GLN B 40 8.835 10.861 -1.212 1.00 0.00 H new ATOM 0 HG3 GLN B 40 7.263 11.635 -1.263 1.00 0.00 H new ATOM 0 HE21 GLN B 40 9.042 13.329 -0.404 1.00 0.00 H new ATOM 0 HE22 GLN B 40 9.062 13.469 1.357 1.00 0.00 H new ATOM 1029 N GLN B 41 5.246 7.480 -0.543 1.00 0.00 N ATOM 1030 CA GLN B 41 4.638 6.238 -0.081 1.00 0.00 C ATOM 1031 C GLN B 41 4.249 5.337 -1.250 1.00 0.00 C ATOM 1032 O GLN B 41 3.658 5.791 -2.229 1.00 0.00 O ATOM 1033 CB GLN B 41 3.411 6.540 0.780 1.00 0.00 C ATOM 1034 CG GLN B 41 2.377 7.405 0.080 1.00 0.00 C ATOM 1035 CD GLN B 41 1.167 7.685 0.948 1.00 0.00 C ATOM 1036 OE1 GLN B 41 0.467 6.765 1.374 1.00 0.00 O ATOM 1037 NE2 GLN B 41 0.913 8.960 1.215 1.00 0.00 N ATOM 0 H GLN B 41 4.680 8.313 -0.381 1.00 0.00 H new ATOM 0 HA GLN B 41 5.377 5.708 0.519 1.00 0.00 H new ATOM 0 HB2 GLN B 41 2.946 5.600 1.077 1.00 0.00 H new ATOM 0 HB3 GLN B 41 3.732 7.040 1.694 1.00 0.00 H new ATOM 0 HG2 GLN B 41 2.836 8.349 -0.212 1.00 0.00 H new ATOM 0 HG3 GLN B 41 2.055 6.910 -0.836 1.00 0.00 H new ATOM 0 HE21 GLN B 41 1.520 9.690 0.841 1.00 0.00 H new ATOM 0 HE22 GLN B 41 0.111 9.210 1.794 1.00 0.00 H new ATOM 1046 N ARG B 42 4.581 4.055 -1.135 1.00 0.00 N ATOM 1047 CA ARG B 42 4.263 3.083 -2.175 1.00 0.00 C ATOM 1048 C ARG B 42 3.408 1.954 -1.607 1.00 0.00 C ATOM 1049 O ARG B 42 3.814 1.267 -0.670 1.00 0.00 O ATOM 1050 CB ARG B 42 5.552 2.513 -2.774 1.00 0.00 C ATOM 1051 CG ARG B 42 6.424 3.557 -3.457 1.00 0.00 C ATOM 1052 CD ARG B 42 5.766 4.102 -4.715 1.00 0.00 C ATOM 1053 NE ARG B 42 6.593 5.109 -5.377 1.00 0.00 N ATOM 1054 CZ ARG B 42 6.252 5.716 -6.512 1.00 0.00 C ATOM 1055 NH1 ARG B 42 5.108 5.413 -7.111 1.00 0.00 N ATOM 1056 NH2 ARG B 42 7.056 6.623 -7.049 1.00 0.00 N ATOM 0 H ARG B 42 5.071 3.665 -0.330 1.00 0.00 H new ATOM 0 HA ARG B 42 3.699 3.587 -2.960 1.00 0.00 H new ATOM 0 HB2 ARG B 42 6.128 2.033 -1.983 1.00 0.00 H new ATOM 0 HB3 ARG B 42 5.295 1.738 -3.497 1.00 0.00 H new ATOM 0 HG2 ARG B 42 6.621 4.376 -2.765 1.00 0.00 H new ATOM 0 HG3 ARG B 42 7.388 3.116 -3.712 1.00 0.00 H new ATOM 0 HD2 ARG B 42 5.572 3.282 -5.406 1.00 0.00 H new ATOM 0 HD3 ARG B 42 4.801 4.538 -4.459 1.00 0.00 H new ATOM 0 HE ARG B 42 7.482 5.361 -4.945 1.00 0.00 H new ATOM 0 HH11 ARG B 42 4.488 4.714 -6.702 1.00 0.00 H new ATOM 0 HH12 ARG B 42 4.848 5.879 -7.980 1.00 0.00 H new ATOM 0 HH21 ARG B 42 7.938 6.857 -6.593 1.00 0.00 H new ATOM 0 HH22 ARG B 42 6.793 7.087 -7.919 1.00 0.00 H new ATOM 1070 N LEU B 43 2.219 1.772 -2.177 1.00 0.00 N ATOM 1071 CA LEU B 43 1.303 0.730 -1.724 1.00 0.00 C ATOM 1072 C LEU B 43 1.619 -0.615 -2.369 1.00 0.00 C ATOM 1073 O LEU B 43 1.958 -0.688 -3.551 1.00 0.00 O ATOM 1074 CB LEU B 43 -0.147 1.123 -2.023 1.00 0.00 C ATOM 1075 CG LEU B 43 -0.667 2.339 -1.251 1.00 0.00 C ATOM 1076 CD1 LEU B 43 -2.103 2.647 -1.646 1.00 0.00 C ATOM 1077 CD2 LEU B 43 -0.568 2.106 0.251 1.00 0.00 C ATOM 0 H LEU B 43 1.868 2.333 -2.953 1.00 0.00 H new ATOM 0 HA LEU B 43 1.433 0.627 -0.647 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -0.239 1.324 -3.090 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.790 0.271 -1.803 1.00 0.00 H new ATOM 0 HG LEU B 43 -0.045 3.197 -1.507 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -2.456 3.514 -1.088 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -2.149 2.860 -2.714 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -2.735 1.788 -1.420 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -0.943 2.982 0.781 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -1.163 1.235 0.524 1.00 0.00 H new ATOM 0 HD23 LEU B 43 0.473 1.934 0.525 1.00 0.00 H new ATOM 1089 N ILE B 44 1.494 -1.678 -1.580 1.00 0.00 N ATOM 1090 CA ILE B 44 1.752 -3.031 -2.057 1.00 0.00 C ATOM 1091 C ILE B 44 0.749 -4.011 -1.455 1.00 0.00 C ATOM 1092 O ILE B 44 0.424 -3.932 -0.270 1.00 0.00 O ATOM 1093 CB ILE B 44 3.183 -3.494 -1.711 1.00 0.00 C ATOM 1094 CG1 ILE B 44 4.214 -2.579 -2.377 1.00 0.00 C ATOM 1095 CG2 ILE B 44 3.391 -4.940 -2.142 1.00 0.00 C ATOM 1096 CD1 ILE B 44 5.649 -2.939 -2.056 1.00 0.00 C ATOM 0 H ILE B 44 1.214 -1.626 -0.601 1.00 0.00 H new ATOM 0 HA ILE B 44 1.645 -3.015 -3.142 1.00 0.00 H new ATOM 0 HB ILE B 44 3.317 -3.435 -0.631 1.00 0.00 H new ATOM 0 HG12 ILE B 44 4.073 -2.615 -3.457 1.00 0.00 H new ATOM 0 HG13 ILE B 44 4.029 -1.551 -2.065 1.00 0.00 H new ATOM 0 HG21 ILE B 44 4.405 -5.252 -1.891 1.00 0.00 H new ATOM 0 HG22 ILE B 44 2.676 -5.580 -1.625 1.00 0.00 H new ATOM 0 HG23 ILE B 44 3.241 -5.024 -3.218 1.00 0.00 H new ATOM 0 HD11 ILE B 44 6.320 -2.246 -2.564 1.00 0.00 H new ATOM 0 HD12 ILE B 44 5.808 -2.875 -0.980 1.00 0.00 H new ATOM 0 HD13 ILE B 44 5.853 -3.955 -2.393 1.00 0.00 H new ATOM 1108 N PHE B 45 0.255 -4.929 -2.281 1.00 0.00 N ATOM 1109 CA PHE B 45 -0.719 -5.918 -1.832 1.00 0.00 C ATOM 1110 C PHE B 45 -0.777 -7.096 -2.798 1.00 0.00 C ATOM 1111 O PHE B 45 -0.623 -6.927 -4.009 1.00 0.00 O ATOM 1112 CB PHE B 45 -2.104 -5.279 -1.709 1.00 0.00 C ATOM 1113 CG PHE B 45 -3.150 -6.202 -1.145 1.00 0.00 C ATOM 1114 CD1 PHE B 45 -2.972 -6.802 0.091 1.00 0.00 C ATOM 1115 CD2 PHE B 45 -4.312 -6.470 -1.854 1.00 0.00 C ATOM 1116 CE1 PHE B 45 -3.932 -7.650 0.611 1.00 0.00 C ATOM 1117 CE2 PHE B 45 -5.275 -7.317 -1.339 1.00 0.00 C ATOM 1118 CZ PHE B 45 -5.084 -7.908 -0.105 1.00 0.00 C ATOM 0 H PHE B 45 0.513 -5.008 -3.265 1.00 0.00 H new ATOM 0 HA PHE B 45 -0.406 -6.285 -0.854 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -2.031 -4.396 -1.074 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -2.426 -4.939 -2.693 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -2.072 -6.605 0.655 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -4.466 -6.011 -2.820 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -3.781 -8.110 1.576 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -6.176 -7.517 -1.901 1.00 0.00 H new ATOM 0 HZ PHE B 45 -5.835 -8.571 0.299 1.00 0.00 H new ATOM 1128 N ALA B 46 -0.993 -8.290 -2.250 1.00 0.00 N ATOM 1129 CA ALA B 46 -1.070 -9.504 -3.054 1.00 0.00 C ATOM 1130 C ALA B 46 0.130 -9.618 -3.987 1.00 0.00 C ATOM 1131 O ALA B 46 0.002 -10.056 -5.130 1.00 0.00 O ATOM 1132 CB ALA B 46 -2.366 -9.529 -3.850 1.00 0.00 C ATOM 0 H ALA B 46 -1.118 -8.441 -1.249 1.00 0.00 H new ATOM 0 HA ALA B 46 -1.056 -10.360 -2.380 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -2.410 -10.441 -4.445 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -3.214 -9.501 -3.166 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.404 -8.662 -4.510 1.00 0.00 H new ATOM 1138 N GLY B 47 1.294 -9.214 -3.491 1.00 0.00 N ATOM 1139 CA GLY B 47 2.500 -9.270 -4.293 1.00 0.00 C ATOM 1140 C GLY B 47 2.389 -8.436 -5.554 1.00 0.00 C ATOM 1141 O GLY B 47 2.840 -8.851 -6.621 1.00 0.00 O ATOM 0 H GLY B 47 1.423 -8.849 -2.547 1.00 0.00 H new ATOM 0 HA2 GLY B 47 3.345 -8.919 -3.700 1.00 0.00 H new ATOM 0 HA3 GLY B 47 2.708 -10.306 -4.562 1.00 0.00 H new ATOM 1145 N LYS B 48 1.787 -7.255 -5.430 1.00 0.00 N ATOM 1146 CA LYS B 48 1.619 -6.361 -6.568 1.00 0.00 C ATOM 1147 C LYS B 48 1.398 -4.925 -6.103 1.00 0.00 C ATOM 1148 O LYS B 48 0.547 -4.658 -5.254 1.00 0.00 O ATOM 1149 CB LYS B 48 0.442 -6.817 -7.431 1.00 0.00 C ATOM 1150 CG LYS B 48 0.200 -5.930 -8.641 1.00 0.00 C ATOM 1151 CD LYS B 48 -0.999 -6.398 -9.451 1.00 0.00 C ATOM 1152 CE LYS B 48 -2.290 -6.289 -8.652 1.00 0.00 C ATOM 1153 NZ LYS B 48 -3.469 -6.757 -9.430 1.00 0.00 N ATOM 0 H LYS B 48 1.409 -6.897 -4.553 1.00 0.00 H new ATOM 0 HA LYS B 48 2.531 -6.395 -7.163 1.00 0.00 H new ATOM 0 HB2 LYS B 48 0.623 -7.838 -7.769 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -0.460 -6.839 -6.820 1.00 0.00 H new ATOM 0 HG2 LYS B 48 0.039 -4.903 -8.313 1.00 0.00 H new ATOM 0 HG3 LYS B 48 1.088 -5.927 -9.273 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -1.081 -5.801 -10.359 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -0.848 -7.432 -9.761 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -2.202 -6.877 -7.739 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -2.443 -5.253 -8.350 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -4.327 -6.666 -8.849 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -3.570 -6.179 -10.289 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -3.336 -7.753 -9.696 1.00 0.00 H new ATOM 1167 N GLN B 49 2.174 -4.006 -6.668 1.00 0.00 N ATOM 1168 CA GLN B 49 2.076 -2.594 -6.319 1.00 0.00 C ATOM 1169 C GLN B 49 0.758 -1.997 -6.802 1.00 0.00 C ATOM 1170 O GLN B 49 0.324 -2.252 -7.925 1.00 0.00 O ATOM 1171 CB GLN B 49 3.249 -1.813 -6.918 1.00 0.00 C ATOM 1172 CG GLN B 49 4.587 -2.070 -6.233 1.00 0.00 C ATOM 1173 CD GLN B 49 5.053 -3.511 -6.343 1.00 0.00 C ATOM 1174 OE1 GLN B 49 4.467 -4.416 -5.751 1.00 0.00 O ATOM 1175 NE2 GLN B 49 6.116 -3.730 -7.109 1.00 0.00 N ATOM 0 H GLN B 49 2.881 -4.216 -7.373 1.00 0.00 H new ATOM 0 HA GLN B 49 2.111 -2.517 -5.232 1.00 0.00 H new ATOM 0 HB2 GLN B 49 3.339 -2.068 -7.974 1.00 0.00 H new ATOM 0 HB3 GLN B 49 3.026 -0.747 -6.866 1.00 0.00 H new ATOM 0 HG2 GLN B 49 5.342 -1.417 -6.671 1.00 0.00 H new ATOM 0 HG3 GLN B 49 4.505 -1.802 -5.180 1.00 0.00 H new ATOM 0 HE21 GLN B 49 6.573 -2.951 -7.583 1.00 0.00 H new ATOM 0 HE22 GLN B 49 6.476 -4.678 -7.224 1.00 0.00 H new ATOM 1184 N LEU B 50 0.130 -1.196 -5.947 1.00 0.00 N ATOM 1185 CA LEU B 50 -1.135 -0.555 -6.288 1.00 0.00 C ATOM 1186 C LEU B 50 -0.924 0.506 -7.366 1.00 0.00 C ATOM 1187 O LEU B 50 -0.189 1.472 -7.162 1.00 0.00 O ATOM 1188 CB LEU B 50 -1.769 0.084 -5.045 1.00 0.00 C ATOM 1189 CG LEU B 50 -2.364 -0.888 -4.016 1.00 0.00 C ATOM 1190 CD1 LEU B 50 -3.516 -1.676 -4.619 1.00 0.00 C ATOM 1191 CD2 LEU B 50 -1.301 -1.832 -3.473 1.00 0.00 C ATOM 0 H LEU B 50 0.476 -0.975 -5.013 1.00 0.00 H new ATOM 0 HA LEU B 50 -1.810 -1.320 -6.673 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -1.012 0.690 -4.547 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -2.557 0.763 -5.372 1.00 0.00 H new ATOM 0 HG LEU B 50 -2.748 -0.296 -3.185 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -3.921 -2.358 -3.871 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -4.297 -0.988 -4.944 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -3.157 -2.248 -5.475 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -1.752 -2.508 -2.747 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -0.876 -2.411 -4.293 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -0.513 -1.254 -2.990 1.00 0.00 H new ATOM 1203 N GLU B 51 -1.575 0.321 -8.512 1.00 0.00 N ATOM 1204 CA GLU B 51 -1.457 1.266 -9.618 1.00 0.00 C ATOM 1205 C GLU B 51 -2.338 2.490 -9.388 1.00 0.00 C ATOM 1206 O GLU B 51 -3.498 2.364 -9.001 1.00 0.00 O ATOM 1207 CB GLU B 51 -1.822 0.590 -10.934 1.00 0.00 C ATOM 1208 CG GLU B 51 -0.897 -0.559 -11.293 1.00 0.00 C ATOM 1209 CD GLU B 51 0.558 -0.138 -11.368 1.00 0.00 C ATOM 1210 OE1 GLU B 51 0.877 0.754 -12.183 1.00 0.00 O ATOM 1211 OE2 GLU B 51 1.378 -0.700 -10.612 1.00 0.00 O ATOM 0 H GLU B 51 -2.188 -0.473 -8.698 1.00 0.00 H new ATOM 0 HA GLU B 51 -0.421 1.599 -9.670 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -2.845 0.219 -10.873 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -1.799 1.330 -11.734 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -1.004 -1.351 -10.552 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -1.200 -0.977 -12.253 1.00 0.00 H new ATOM 1218 N ASP B 52 -1.774 3.670 -9.618 1.00 0.00 N ATOM 1219 CA ASP B 52 -2.498 4.924 -9.425 1.00 0.00 C ATOM 1220 C ASP B 52 -3.456 5.219 -10.580 1.00 0.00 C ATOM 1221 O ASP B 52 -3.409 6.299 -11.170 1.00 0.00 O ATOM 1222 CB ASP B 52 -1.507 6.078 -9.259 1.00 0.00 C ATOM 1223 CG ASP B 52 -0.590 5.882 -8.068 1.00 0.00 C ATOM 1224 OD1 ASP B 52 -1.104 5.768 -6.936 1.00 0.00 O ATOM 1225 OD2 ASP B 52 0.643 5.841 -8.268 1.00 0.00 O ATOM 0 H ASP B 52 -0.813 3.786 -9.940 1.00 0.00 H new ATOM 0 HA ASP B 52 -3.098 4.821 -8.521 1.00 0.00 H new ATOM 0 HB2 ASP B 52 -0.908 6.172 -10.165 1.00 0.00 H new ATOM 0 HB3 ASP B 52 -2.057 7.012 -9.142 1.00 0.00 H new ATOM 1230 N GLY B 53 -4.329 4.264 -10.898 1.00 0.00 N ATOM 1231 CA GLY B 53 -5.280 4.470 -11.978 1.00 0.00 C ATOM 1232 C GLY B 53 -6.259 3.321 -12.142 1.00 0.00 C ATOM 1233 O GLY B 53 -6.677 3.013 -13.259 1.00 0.00 O ATOM 0 H GLY B 53 -4.394 3.359 -10.431 1.00 0.00 H new ATOM 0 HA2 GLY B 53 -5.836 5.389 -11.793 1.00 0.00 H new ATOM 0 HA3 GLY B 53 -4.735 4.610 -12.911 1.00 0.00 H new ATOM 1237 N ARG B 54 -6.633 2.690 -11.031 1.00 0.00 N ATOM 1238 CA ARG B 54 -7.575 1.576 -11.062 1.00 0.00 C ATOM 1239 C ARG B 54 -8.452 1.568 -9.812 1.00 0.00 C ATOM 1240 O ARG B 54 -7.971 1.779 -8.699 1.00 0.00 O ATOM 1241 CB ARG B 54 -6.844 0.235 -11.181 1.00 0.00 C ATOM 1242 CG ARG B 54 -6.155 0.011 -12.520 1.00 0.00 C ATOM 1243 CD ARG B 54 -4.773 0.643 -12.558 1.00 0.00 C ATOM 1244 NE ARG B 54 -4.161 0.559 -13.883 1.00 0.00 N ATOM 1245 CZ ARG B 54 -3.862 -0.584 -14.496 1.00 0.00 C ATOM 1246 NH1 ARG B 54 -4.100 -1.747 -13.904 1.00 0.00 N ATOM 1247 NH2 ARG B 54 -3.318 -0.562 -15.704 1.00 0.00 N ATOM 0 H ARG B 54 -6.298 2.932 -10.099 1.00 0.00 H new ATOM 0 HA ARG B 54 -8.207 1.711 -11.940 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -6.100 0.169 -10.388 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -7.559 -0.571 -11.015 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -6.070 -1.059 -12.710 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -6.768 0.429 -13.318 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -4.846 1.689 -12.259 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -4.129 0.148 -11.831 1.00 0.00 H new ATOM 0 HE ARG B 54 -3.950 1.431 -14.368 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -4.515 -1.770 -12.973 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -3.868 -2.619 -14.380 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -3.129 0.330 -16.162 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -3.088 -1.437 -16.176 1.00 0.00 H new ATOM 1261 N THR B 55 -9.744 1.327 -10.012 1.00 0.00 N ATOM 1262 CA THR B 55 -10.706 1.292 -8.914 1.00 0.00 C ATOM 1263 C THR B 55 -10.466 0.098 -7.993 1.00 0.00 C ATOM 1264 O THR B 55 -10.095 -0.985 -8.446 1.00 0.00 O ATOM 1265 CB THR B 55 -12.152 1.233 -9.439 1.00 0.00 C ATOM 1266 OG1 THR B 55 -12.346 0.040 -10.209 1.00 0.00 O ATOM 1267 CG2 THR B 55 -12.465 2.451 -10.296 1.00 0.00 C ATOM 0 H THR B 55 -10.152 1.152 -10.930 1.00 0.00 H new ATOM 0 HA THR B 55 -10.563 2.212 -8.348 1.00 0.00 H new ATOM 0 HB THR B 55 -12.826 1.226 -8.583 1.00 0.00 H new ATOM 0 HG1 THR B 55 -13.269 0.009 -10.538 1.00 0.00 H new ATOM 0 HG21 THR B 55 -13.492 2.388 -10.656 1.00 0.00 H new ATOM 0 HG22 THR B 55 -12.344 3.356 -9.700 1.00 0.00 H new ATOM 0 HG23 THR B 55 -11.784 2.483 -11.146 1.00 0.00 H new ATOM 1275 N LEU B 56 -10.688 0.308 -6.696 1.00 0.00 N ATOM 1276 CA LEU B 56 -10.504 -0.746 -5.701 1.00 0.00 C ATOM 1277 C LEU B 56 -11.380 -1.955 -6.010 1.00 0.00 C ATOM 1278 O LEU B 56 -10.982 -3.096 -5.775 1.00 0.00 O ATOM 1279 CB LEU B 56 -10.836 -0.226 -4.300 1.00 0.00 C ATOM 1280 CG LEU B 56 -9.941 0.903 -3.785 1.00 0.00 C ATOM 1281 CD1 LEU B 56 -10.390 1.341 -2.400 1.00 0.00 C ATOM 1282 CD2 LEU B 56 -8.485 0.463 -3.755 1.00 0.00 C ATOM 0 H LEU B 56 -10.996 1.200 -6.310 1.00 0.00 H new ATOM 0 HA LEU B 56 -9.458 -1.052 -5.737 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -11.869 0.123 -4.297 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -10.779 -1.059 -3.600 1.00 0.00 H new ATOM 0 HG LEU B 56 -10.029 1.750 -4.466 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -9.745 2.145 -2.046 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -11.419 1.696 -2.447 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -10.328 0.497 -1.714 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -7.865 1.280 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -8.379 -0.399 -3.096 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -8.166 0.192 -4.761 1.00 0.00 H new ATOM 1294 N SER B 57 -12.580 -1.695 -6.523 1.00 0.00 N ATOM 1295 CA SER B 57 -13.524 -2.760 -6.852 1.00 0.00 C ATOM 1296 C SER B 57 -12.872 -3.823 -7.729 1.00 0.00 C ATOM 1297 O SER B 57 -13.094 -5.018 -7.536 1.00 0.00 O ATOM 1298 CB SER B 57 -14.752 -2.183 -7.559 1.00 0.00 C ATOM 1299 OG SER B 57 -15.684 -3.203 -7.874 1.00 0.00 O ATOM 0 H SER B 57 -12.922 -0.755 -6.720 1.00 0.00 H new ATOM 0 HA SER B 57 -13.836 -3.230 -5.919 1.00 0.00 H new ATOM 0 HB2 SER B 57 -15.226 -1.437 -6.921 1.00 0.00 H new ATOM 0 HB3 SER B 57 -14.444 -1.673 -8.472 1.00 0.00 H new ATOM 0 HG SER B 57 -16.461 -2.809 -8.324 1.00 0.00 H new ATOM 1305 N ASP B 58 -12.065 -3.382 -8.689 1.00 0.00 N ATOM 1306 CA ASP B 58 -11.379 -4.301 -9.591 1.00 0.00 C ATOM 1307 C ASP B 58 -10.476 -5.248 -8.806 1.00 0.00 C ATOM 1308 O ASP B 58 -10.408 -6.442 -9.097 1.00 0.00 O ATOM 1309 CB ASP B 58 -10.558 -3.518 -10.619 1.00 0.00 C ATOM 1310 CG ASP B 58 -9.868 -4.419 -11.627 1.00 0.00 C ATOM 1311 OD1 ASP B 58 -9.024 -5.240 -11.212 1.00 0.00 O ATOM 1312 OD2 ASP B 58 -10.172 -4.301 -12.833 1.00 0.00 O ATOM 0 H ASP B 58 -11.870 -2.396 -8.862 1.00 0.00 H new ATOM 0 HA ASP B 58 -12.128 -4.894 -10.116 1.00 0.00 H new ATOM 0 HB2 ASP B 58 -11.211 -2.823 -11.147 1.00 0.00 H new ATOM 0 HB3 ASP B 58 -9.809 -2.920 -10.100 1.00 0.00 H new ATOM 1317 N TYR B 59 -9.784 -4.704 -7.809 1.00 0.00 N ATOM 1318 CA TYR B 59 -8.883 -5.492 -6.974 1.00 0.00 C ATOM 1319 C TYR B 59 -9.662 -6.402 -6.029 1.00 0.00 C ATOM 1320 O TYR B 59 -9.182 -7.471 -5.649 1.00 0.00 O ATOM 1321 CB TYR B 59 -7.956 -4.579 -6.163 1.00 0.00 C ATOM 1322 CG TYR B 59 -6.993 -3.769 -7.006 1.00 0.00 C ATOM 1323 CD1 TYR B 59 -7.451 -2.930 -8.015 1.00 0.00 C ATOM 1324 CD2 TYR B 59 -5.622 -3.842 -6.788 1.00 0.00 C ATOM 1325 CE1 TYR B 59 -6.574 -2.190 -8.781 1.00 0.00 C ATOM 1326 CE2 TYR B 59 -4.738 -3.103 -7.551 1.00 0.00 C ATOM 1327 CZ TYR B 59 -5.218 -2.279 -8.546 1.00 0.00 C ATOM 1328 OH TYR B 59 -4.341 -1.541 -9.307 1.00 0.00 O ATOM 0 H TYR B 59 -9.831 -3.716 -7.559 1.00 0.00 H new ATOM 0 HA TYR B 59 -8.281 -6.113 -7.637 1.00 0.00 H new ATOM 0 HB2 TYR B 59 -8.564 -3.897 -5.569 1.00 0.00 H new ATOM 0 HB3 TYR B 59 -7.385 -5.189 -5.463 1.00 0.00 H new ATOM 0 HD1 TYR B 59 -8.512 -2.856 -8.203 1.00 0.00 H new ATOM 0 HD2 TYR B 59 -5.242 -4.487 -6.010 1.00 0.00 H new ATOM 0 HE1 TYR B 59 -6.948 -1.544 -9.561 1.00 0.00 H new ATOM 0 HE2 TYR B 59 -3.676 -3.171 -7.368 1.00 0.00 H new ATOM 0 HH TYR B 59 -3.550 -2.083 -9.513 1.00 0.00 H new ATOM 1338 N ASN B 60 -10.858 -5.961 -5.641 1.00 0.00 N ATOM 1339 CA ASN B 60 -11.703 -6.722 -4.725 1.00 0.00 C ATOM 1340 C ASN B 60 -11.040 -6.826 -3.355 1.00 0.00 C ATOM 1341 O ASN B 60 -11.060 -7.880 -2.719 1.00 0.00 O ATOM 1342 CB ASN B 60 -11.986 -8.122 -5.279 1.00 0.00 C ATOM 1343 CG ASN B 60 -12.746 -8.085 -6.590 1.00 0.00 C ATOM 1344 OD1 ASN B 60 -12.275 -7.525 -7.579 1.00 0.00 O ATOM 1345 ND2 ASN B 60 -13.929 -8.687 -6.604 1.00 0.00 N ATOM 0 H ASN B 60 -11.264 -5.077 -5.949 1.00 0.00 H new ATOM 0 HA ASN B 60 -12.651 -6.195 -4.621 1.00 0.00 H new ATOM 0 HB2 ASN B 60 -11.043 -8.649 -5.424 1.00 0.00 H new ATOM 0 HB3 ASN B 60 -12.559 -8.690 -4.546 1.00 0.00 H new ATOM 0 HD21 ASN B 60 -14.486 -8.697 -7.458 1.00 0.00 H new ATOM 0 HD22 ASN B 60 -14.281 -9.139 -5.760 1.00 0.00 H new ATOM 1352 N ILE B 61 -10.450 -5.720 -2.913 1.00 0.00 N ATOM 1353 CA ILE B 61 -9.771 -5.671 -1.625 1.00 0.00 C ATOM 1354 C ILE B 61 -10.737 -5.946 -0.477 1.00 0.00 C ATOM 1355 O ILE B 61 -11.820 -5.364 -0.410 1.00 0.00 O ATOM 1356 CB ILE B 61 -9.102 -4.300 -1.400 1.00 0.00 C ATOM 1357 CG1 ILE B 61 -8.123 -3.996 -2.537 1.00 0.00 C ATOM 1358 CG2 ILE B 61 -8.391 -4.270 -0.053 1.00 0.00 C ATOM 1359 CD1 ILE B 61 -7.482 -2.628 -2.436 1.00 0.00 C ATOM 0 H ILE B 61 -10.429 -4.842 -3.432 1.00 0.00 H new ATOM 0 HA ILE B 61 -9.006 -6.447 -1.642 1.00 0.00 H new ATOM 0 HB ILE B 61 -9.874 -3.530 -1.395 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -7.341 -4.755 -2.544 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -8.649 -4.072 -3.488 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -7.924 -3.296 0.090 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -9.113 -4.447 0.744 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -7.626 -5.046 -0.028 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -6.801 -2.482 -3.275 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -8.256 -1.861 -2.460 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -6.927 -2.554 -1.501 1.00 0.00 H new ATOM 1371 N GLN B 62 -10.330 -6.831 0.427 1.00 0.00 N ATOM 1372 CA GLN B 62 -11.151 -7.181 1.581 1.00 0.00 C ATOM 1373 C GLN B 62 -11.243 -6.007 2.550 1.00 0.00 C ATOM 1374 O GLN B 62 -10.276 -5.269 2.736 1.00 0.00 O ATOM 1375 CB GLN B 62 -10.575 -8.408 2.292 1.00 0.00 C ATOM 1376 CG GLN B 62 -9.167 -8.201 2.829 1.00 0.00 C ATOM 1377 CD GLN B 62 -8.600 -9.437 3.507 1.00 0.00 C ATOM 1378 OE1 GLN B 62 -9.374 -10.519 3.535 1.00 0.00 O flip ATOM 1379 NE2 GLN B 62 -7.472 -9.421 4.001 1.00 0.00 N flip ATOM 0 H GLN B 62 -9.436 -7.320 0.383 1.00 0.00 H new ATOM 0 HA GLN B 62 -12.155 -7.419 1.228 1.00 0.00 H new ATOM 0 HB2 GLN B 62 -11.233 -8.680 3.118 1.00 0.00 H new ATOM 0 HB3 GLN B 62 -10.570 -9.249 1.599 1.00 0.00 H new ATOM 0 HG2 GLN B 62 -8.511 -7.911 2.009 1.00 0.00 H new ATOM 0 HG3 GLN B 62 -9.173 -7.375 3.540 1.00 0.00 H new ATOM 0 HE21 GLN B 62 -6.909 -8.572 3.959 1.00 0.00 H new ATOM 0 HE22 GLN B 62 -7.101 -10.257 4.452 1.00 0.00 H new ATOM 1388 N LYS B 63 -12.411 -5.836 3.160 1.00 0.00 N ATOM 1389 CA LYS B 63 -12.625 -4.747 4.107 1.00 0.00 C ATOM 1390 C LYS B 63 -11.599 -4.789 5.237 1.00 0.00 C ATOM 1391 O LYS B 63 -11.268 -5.858 5.751 1.00 0.00 O ATOM 1392 CB LYS B 63 -14.042 -4.811 4.684 1.00 0.00 C ATOM 1393 CG LYS B 63 -14.358 -6.127 5.378 1.00 0.00 C ATOM 1394 CD LYS B 63 -15.776 -6.147 5.933 1.00 0.00 C ATOM 1395 CE LYS B 63 -16.813 -6.002 4.831 1.00 0.00 C ATOM 1396 NZ LYS B 63 -16.698 -7.083 3.813 1.00 0.00 N ATOM 0 H LYS B 63 -13.223 -6.436 3.016 1.00 0.00 H new ATOM 0 HA LYS B 63 -12.502 -3.807 3.568 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -14.173 -3.995 5.394 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -14.760 -4.652 3.880 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -14.232 -6.949 4.673 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -13.648 -6.290 6.189 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -15.944 -7.081 6.470 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -15.896 -5.339 6.654 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -17.811 -6.020 5.268 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -16.694 -5.033 4.346 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -17.544 -7.082 3.208 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -15.854 -6.920 3.228 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -16.616 -8.003 4.291 1.00 0.00 H new ATOM 1410 N GLU B 64 -11.100 -3.613 5.613 1.00 0.00 N ATOM 1411 CA GLU B 64 -10.110 -3.490 6.681 1.00 0.00 C ATOM 1412 C GLU B 64 -8.808 -4.201 6.322 1.00 0.00 C ATOM 1413 O GLU B 64 -8.181 -4.837 7.170 1.00 0.00 O ATOM 1414 CB GLU B 64 -10.667 -4.043 7.995 1.00 0.00 C ATOM 1415 CG GLU B 64 -11.915 -3.321 8.476 1.00 0.00 C ATOM 1416 CD GLU B 64 -12.442 -3.876 9.785 1.00 0.00 C ATOM 1417 OE1 GLU B 64 -11.695 -3.848 10.785 1.00 0.00 O ATOM 1418 OE2 GLU B 64 -13.603 -4.337 9.809 1.00 0.00 O ATOM 0 H GLU B 64 -11.368 -2.725 5.189 1.00 0.00 H new ATOM 0 HA GLU B 64 -9.891 -2.430 6.806 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -10.896 -5.101 7.867 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -9.898 -3.974 8.764 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -11.692 -2.261 8.598 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -12.691 -3.398 7.714 1.00 0.00 H new ATOM 1425 N SER B 65 -8.399 -4.077 5.062 1.00 0.00 N ATOM 1426 CA SER B 65 -7.164 -4.696 4.592 1.00 0.00 C ATOM 1427 C SER B 65 -5.980 -3.754 4.787 1.00 0.00 C ATOM 1428 O SER B 65 -6.094 -2.547 4.564 1.00 0.00 O ATOM 1429 CB SER B 65 -7.287 -5.078 3.117 1.00 0.00 C ATOM 1430 OG SER B 65 -6.096 -5.685 2.646 1.00 0.00 O ATOM 0 H SER B 65 -8.905 -3.553 4.348 1.00 0.00 H new ATOM 0 HA SER B 65 -6.992 -5.598 5.179 1.00 0.00 H new ATOM 0 HB2 SER B 65 -8.125 -5.762 2.984 1.00 0.00 H new ATOM 0 HB3 SER B 65 -7.505 -4.189 2.525 1.00 0.00 H new ATOM 0 HG SER B 65 -6.201 -5.921 1.701 1.00 0.00 H new ATOM 1436 N THR B 66 -4.846 -4.307 5.206 1.00 0.00 N ATOM 1437 CA THR B 66 -3.650 -3.512 5.427 1.00 0.00 C ATOM 1438 C THR B 66 -2.799 -3.411 4.164 1.00 0.00 C ATOM 1439 O THR B 66 -2.358 -4.422 3.618 1.00 0.00 O ATOM 1440 CB THR B 66 -2.798 -4.101 6.563 1.00 0.00 C ATOM 1441 OG1 THR B 66 -2.604 -5.505 6.357 1.00 0.00 O ATOM 1442 CG2 THR B 66 -3.453 -3.861 7.914 1.00 0.00 C ATOM 0 H THR B 66 -4.733 -5.302 5.398 1.00 0.00 H new ATOM 0 HA THR B 66 -3.984 -2.512 5.705 1.00 0.00 H new ATOM 0 HB THR B 66 -1.830 -3.600 6.556 1.00 0.00 H new ATOM 0 HG1 THR B 66 -2.487 -5.682 5.400 1.00 0.00 H new ATOM 0 HG21 THR B 66 -2.831 -4.287 8.701 1.00 0.00 H new ATOM 0 HG22 THR B 66 -3.564 -2.789 8.079 1.00 0.00 H new ATOM 0 HG23 THR B 66 -4.435 -4.334 7.932 1.00 0.00 H new ATOM 1450 N LEU B 67 -2.561 -2.181 3.715 1.00 0.00 N ATOM 1451 CA LEU B 67 -1.748 -1.943 2.527 1.00 0.00 C ATOM 1452 C LEU B 67 -0.301 -1.651 2.911 1.00 0.00 C ATOM 1453 O LEU B 67 -0.035 -0.784 3.744 1.00 0.00 O ATOM 1454 CB LEU B 67 -2.315 -0.783 1.705 1.00 0.00 C ATOM 1455 CG LEU B 67 -3.577 -1.107 0.900 1.00 0.00 C ATOM 1456 CD1 LEU B 67 -3.337 -2.290 -0.024 1.00 0.00 C ATOM 1457 CD2 LEU B 67 -4.756 -1.381 1.821 1.00 0.00 C ATOM 0 H LEU B 67 -2.920 -1.334 4.156 1.00 0.00 H new ATOM 0 HA LEU B 67 -1.772 -2.847 1.919 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -2.536 0.044 2.379 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -1.544 -0.436 1.017 1.00 0.00 H new ATOM 0 HG LEU B 67 -3.818 -0.236 0.290 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -4.246 -2.503 -0.586 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -2.529 -2.053 -0.716 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -3.063 -3.164 0.567 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -5.639 -1.608 1.224 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -4.525 -2.230 2.465 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -4.950 -0.502 2.435 1.00 0.00 H new ATOM 1469 N HIS B 68 0.630 -2.376 2.300 1.00 0.00 N ATOM 1470 CA HIS B 68 2.049 -2.190 2.582 1.00 0.00 C ATOM 1471 C HIS B 68 2.551 -0.865 2.016 1.00 0.00 C ATOM 1472 O HIS B 68 2.413 -0.598 0.822 1.00 0.00 O ATOM 1473 CB HIS B 68 2.860 -3.345 1.994 1.00 0.00 C ATOM 1474 CG HIS B 68 2.501 -4.681 2.565 1.00 0.00 C ATOM 1475 ND1 HIS B 68 2.631 -4.987 3.904 1.00 0.00 N ATOM 1476 CD2 HIS B 68 2.015 -5.797 1.972 1.00 0.00 C ATOM 1477 CE1 HIS B 68 2.240 -6.233 4.109 1.00 0.00 C ATOM 1478 NE2 HIS B 68 1.862 -6.745 2.953 1.00 0.00 N ATOM 0 H HIS B 68 0.428 -3.097 1.607 1.00 0.00 H new ATOM 0 HA HIS B 68 2.178 -2.173 3.664 1.00 0.00 H new ATOM 0 HB2 HIS B 68 2.712 -3.369 0.914 1.00 0.00 H new ATOM 0 HB3 HIS B 68 3.920 -3.158 2.166 1.00 0.00 H new ATOM 0 HD1 HIS B 68 2.975 -4.351 4.623 1.00 0.00 H new ATOM 0 HD2 HIS B 68 1.790 -5.919 0.923 1.00 0.00 H new ATOM 0 HE1 HIS B 68 2.231 -6.745 5.060 1.00 0.00 H new ATOM 1487 N LEU B 69 3.132 -0.039 2.883 1.00 0.00 N ATOM 1488 CA LEU B 69 3.655 1.262 2.471 1.00 0.00 C ATOM 1489 C LEU B 69 5.182 1.236 2.389 1.00 0.00 C ATOM 1490 O LEU B 69 5.851 0.699 3.272 1.00 0.00 O ATOM 1491 CB LEU B 69 3.186 2.345 3.454 1.00 0.00 C ATOM 1492 CG LEU B 69 3.527 3.792 3.072 1.00 0.00 C ATOM 1493 CD1 LEU B 69 2.650 4.763 3.848 1.00 0.00 C ATOM 1494 CD2 LEU B 69 4.995 4.095 3.336 1.00 0.00 C ATOM 0 H LEU B 69 3.253 -0.247 3.874 1.00 0.00 H new ATOM 0 HA LEU B 69 3.271 1.493 1.477 1.00 0.00 H new ATOM 0 HB2 LEU B 69 2.105 2.264 3.564 1.00 0.00 H new ATOM 0 HB3 LEU B 69 3.622 2.135 4.431 1.00 0.00 H new ATOM 0 HG LEU B 69 3.337 3.912 2.005 1.00 0.00 H new ATOM 0 HD11 LEU B 69 2.903 5.785 3.567 1.00 0.00 H new ATOM 0 HD12 LEU B 69 1.602 4.571 3.617 1.00 0.00 H new ATOM 0 HD13 LEU B 69 2.816 4.629 4.917 1.00 0.00 H new ATOM 0 HD21 LEU B 69 5.210 5.127 3.057 1.00 0.00 H new ATOM 0 HD22 LEU B 69 5.211 3.953 4.395 1.00 0.00 H new ATOM 0 HD23 LEU B 69 5.617 3.422 2.746 1.00 0.00 H new ATOM 1506 N VAL B 70 5.728 1.832 1.327 1.00 0.00 N ATOM 1507 CA VAL B 70 7.176 1.888 1.138 1.00 0.00 C ATOM 1508 C VAL B 70 7.630 3.321 0.876 1.00 0.00 C ATOM 1509 O VAL B 70 7.113 3.991 -0.019 1.00 0.00 O ATOM 1510 CB VAL B 70 7.636 1.001 -0.039 1.00 0.00 C ATOM 1511 CG1 VAL B 70 9.156 0.976 -0.127 1.00 0.00 C ATOM 1512 CG2 VAL B 70 7.080 -0.409 0.094 1.00 0.00 C ATOM 0 H VAL B 70 5.189 2.281 0.587 1.00 0.00 H new ATOM 0 HA VAL B 70 7.628 1.515 2.057 1.00 0.00 H new ATOM 0 HB VAL B 70 7.246 1.431 -0.962 1.00 0.00 H new ATOM 0 HG11 VAL B 70 9.462 0.346 -0.962 1.00 0.00 H new ATOM 0 HG12 VAL B 70 9.528 1.989 -0.281 1.00 0.00 H new ATOM 0 HG13 VAL B 70 9.568 0.575 0.799 1.00 0.00 H new ATOM 0 HG21 VAL B 70 7.418 -1.014 -0.747 1.00 0.00 H new ATOM 0 HG22 VAL B 70 7.432 -0.853 1.025 1.00 0.00 H new ATOM 0 HG23 VAL B 70 5.991 -0.372 0.099 1.00 0.00 H new ATOM 1522 N LEU B 71 8.597 3.789 1.661 1.00 0.00 N ATOM 1523 CA LEU B 71 9.114 5.146 1.511 1.00 0.00 C ATOM 1524 C LEU B 71 10.067 5.246 0.323 1.00 0.00 C ATOM 1525 O LEU B 71 11.044 4.503 0.234 1.00 0.00 O ATOM 1526 CB LEU B 71 9.829 5.595 2.792 1.00 0.00 C ATOM 1527 CG LEU B 71 8.932 5.780 4.024 1.00 0.00 C ATOM 1528 CD1 LEU B 71 7.804 6.755 3.724 1.00 0.00 C ATOM 1529 CD2 LEU B 71 8.377 4.444 4.498 1.00 0.00 C ATOM 0 H LEU B 71 9.038 3.250 2.406 1.00 0.00 H new ATOM 0 HA LEU B 71 8.265 5.805 1.327 1.00 0.00 H new ATOM 0 HB2 LEU B 71 10.599 4.862 3.033 1.00 0.00 H new ATOM 0 HB3 LEU B 71 10.338 6.538 2.591 1.00 0.00 H new ATOM 0 HG LEU B 71 9.541 6.196 4.827 1.00 0.00 H new ATOM 0 HD11 LEU B 71 7.180 6.873 4.610 1.00 0.00 H new ATOM 0 HD12 LEU B 71 8.223 7.722 3.445 1.00 0.00 H new ATOM 0 HD13 LEU B 71 7.200 6.371 2.902 1.00 0.00 H new ATOM 0 HD21 LEU B 71 7.745 4.602 5.372 1.00 0.00 H new ATOM 0 HD22 LEU B 71 7.787 3.991 3.701 1.00 0.00 H new ATOM 0 HD23 LEU B 71 9.201 3.781 4.761 1.00 0.00 H new ATOM 1541 N ARG B 72 9.777 6.175 -0.583 1.00 0.00 N ATOM 1542 CA ARG B 72 10.607 6.382 -1.764 1.00 0.00 C ATOM 1543 C ARG B 72 11.857 7.187 -1.419 1.00 0.00 C ATOM 1544 O ARG B 72 11.776 8.224 -0.761 1.00 0.00 O ATOM 1545 CB ARG B 72 9.810 7.105 -2.852 1.00 0.00 C ATOM 1546 CG ARG B 72 10.594 7.346 -4.133 1.00 0.00 C ATOM 1547 CD ARG B 72 11.021 6.040 -4.785 1.00 0.00 C ATOM 1548 NE ARG B 72 11.795 6.261 -6.005 1.00 0.00 N ATOM 1549 CZ ARG B 72 11.309 6.851 -7.094 1.00 0.00 C ATOM 1550 NH1 ARG B 72 10.049 7.267 -7.125 1.00 0.00 N ATOM 1551 NH2 ARG B 72 12.085 7.024 -8.155 1.00 0.00 N ATOM 0 H ARG B 72 8.971 6.798 -0.521 1.00 0.00 H new ATOM 0 HA ARG B 72 10.916 5.404 -2.134 1.00 0.00 H new ATOM 0 HB2 ARG B 72 8.921 6.520 -3.087 1.00 0.00 H new ATOM 0 HB3 ARG B 72 9.467 8.063 -2.462 1.00 0.00 H new ATOM 0 HG2 ARG B 72 9.983 7.919 -4.831 1.00 0.00 H new ATOM 0 HG3 ARG B 72 11.476 7.948 -3.912 1.00 0.00 H new ATOM 0 HD2 ARG B 72 11.616 5.461 -4.079 1.00 0.00 H new ATOM 0 HD3 ARG B 72 10.137 5.447 -5.020 1.00 0.00 H new ATOM 0 HE ARG B 72 12.764 5.944 -6.023 1.00 0.00 H new ATOM 0 HH11 ARG B 72 9.448 7.135 -6.311 1.00 0.00 H new ATOM 0 HH12 ARG B 72 9.682 7.719 -7.962 1.00 0.00 H new ATOM 0 HH21 ARG B 72 13.054 6.705 -8.136 1.00 0.00 H new ATOM 0 HH22 ARG B 72 11.713 7.476 -8.990 1.00 0.00 H new ATOM 1565 N LEU B 73 13.010 6.707 -1.875 1.00 0.00 N ATOM 1566 CA LEU B 73 14.275 7.388 -1.622 1.00 0.00 C ATOM 1567 C LEU B 73 14.385 8.654 -2.464 1.00 0.00 C ATOM 1568 O LEU B 73 14.027 8.659 -3.643 1.00 0.00 O ATOM 1569 CB LEU B 73 15.454 6.460 -1.924 1.00 0.00 C ATOM 1570 CG LEU B 73 15.525 5.191 -1.071 1.00 0.00 C ATOM 1571 CD1 LEU B 73 16.714 4.340 -1.485 1.00 0.00 C ATOM 1572 CD2 LEU B 73 15.613 5.542 0.408 1.00 0.00 C ATOM 0 H LEU B 73 13.094 5.850 -2.421 1.00 0.00 H new ATOM 0 HA LEU B 73 14.303 7.665 -0.568 1.00 0.00 H new ATOM 0 HB2 LEU B 73 15.407 6.170 -2.974 1.00 0.00 H new ATOM 0 HB3 LEU B 73 16.379 7.020 -1.790 1.00 0.00 H new ATOM 0 HG LEU B 73 14.613 4.617 -1.234 1.00 0.00 H new ATOM 0 HD11 LEU B 73 16.750 3.441 -0.869 1.00 0.00 H new ATOM 0 HD12 LEU B 73 16.612 4.058 -2.533 1.00 0.00 H new ATOM 0 HD13 LEU B 73 17.634 4.910 -1.350 1.00 0.00 H new ATOM 0 HD21 LEU B 73 15.663 4.626 0.997 1.00 0.00 H new ATOM 0 HD22 LEU B 73 16.508 6.138 0.588 1.00 0.00 H new ATOM 0 HD23 LEU B 73 14.732 6.114 0.699 1.00 0.00 H new ATOM 1584 N ARG B 74 14.886 9.723 -1.853 1.00 0.00 N ATOM 1585 CA ARG B 74 15.049 10.996 -2.546 1.00 0.00 C ATOM 1586 C ARG B 74 15.793 11.996 -1.667 1.00 0.00 C ATOM 1587 O ARG B 74 15.448 12.188 -0.500 1.00 0.00 O ATOM 1588 CB ARG B 74 13.685 11.566 -2.945 1.00 0.00 C ATOM 1589 CG ARG B 74 13.771 12.873 -3.715 1.00 0.00 C ATOM 1590 CD ARG B 74 12.394 13.376 -4.114 1.00 0.00 C ATOM 1591 NE ARG B 74 12.463 14.624 -4.869 1.00 0.00 N ATOM 1592 CZ ARG B 74 11.395 15.272 -5.324 1.00 0.00 C ATOM 1593 NH1 ARG B 74 10.177 14.794 -5.100 1.00 0.00 N ATOM 1594 NH2 ARG B 74 11.545 16.402 -6.003 1.00 0.00 N ATOM 0 H ARG B 74 15.186 9.733 -0.878 1.00 0.00 H new ATOM 0 HA ARG B 74 15.636 10.819 -3.447 1.00 0.00 H new ATOM 0 HB2 ARG B 74 13.157 10.831 -3.552 1.00 0.00 H new ATOM 0 HB3 ARG B 74 13.089 11.723 -2.046 1.00 0.00 H new ATOM 0 HG2 ARG B 74 14.271 13.624 -3.104 1.00 0.00 H new ATOM 0 HG3 ARG B 74 14.380 12.731 -4.608 1.00 0.00 H new ATOM 0 HD2 ARG B 74 11.891 12.617 -4.714 1.00 0.00 H new ATOM 0 HD3 ARG B 74 11.790 13.527 -3.219 1.00 0.00 H new ATOM 0 HE ARG B 74 13.383 15.021 -5.058 1.00 0.00 H new ATOM 0 HH11 ARG B 74 10.058 13.926 -4.577 1.00 0.00 H new ATOM 0 HH12 ARG B 74 9.360 15.294 -5.451 1.00 0.00 H new ATOM 0 HH21 ARG B 74 12.479 16.773 -6.176 1.00 0.00 H new ATOM 0 HH22 ARG B 74 10.726 16.900 -6.352 1.00 0.00 H new ATOM 1608 N GLY B 75 16.814 12.629 -2.235 1.00 0.00 N ATOM 1609 CA GLY B 75 17.592 13.602 -1.491 1.00 0.00 C ATOM 1610 C GLY B 75 16.768 14.802 -1.068 1.00 0.00 C ATOM 1611 O GLY B 75 16.052 15.388 -1.881 1.00 0.00 O ATOM 0 H GLY B 75 17.117 12.485 -3.198 1.00 0.00 H new ATOM 0 HA2 GLY B 75 18.014 13.125 -0.607 1.00 0.00 H new ATOM 0 HA3 GLY B 75 18.429 13.938 -2.103 1.00 0.00 H new ATOM 1615 N GLY B 76 16.869 15.166 0.206 1.00 0.00 N ATOM 1616 CA GLY B 76 16.123 16.301 0.717 1.00 0.00 C ATOM 1617 C GLY B 76 14.626 16.134 0.549 1.00 0.00 C ATOM 1618 O GLY B 76 13.922 17.160 0.447 1.00 0.00 O ATOM 1619 OXT GLY B 76 14.157 14.976 0.518 1.00 0.00 O ATOM 0 H GLY B 76 17.455 14.694 0.895 1.00 0.00 H new ATOM 0 HA2 GLY B 76 16.354 16.438 1.773 1.00 0.00 H new ATOM 0 HA3 GLY B 76 16.445 17.205 0.201 1.00 0.00 H new TER 1623 GLY B 76