USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 635 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.436 X(o=-0.44,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc=-0.00612 K(o=-0.0061,f=-0.92) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -1:sc= 0.946 USER MOD Single : A 51 SER OG : rot 112:sc= 1.16 USER MOD Single : A 52 SER OG : rot 180:sc= -0.832 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 165:sc= -1.19 (180deg=-1.73) USER MOD Single : A 83 GLN : amide:sc= 0.441 K(o=0.44,f=-0.41) USER MOD Single : A 91 TYR OH : rot 95:sc= 2.12 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.547 X(o=-0.55,f=-0.7) USER MOD Single : A 98 LYS NZ :NH3+ -106:sc= -2.74 (180deg=-5.27!) USER MOD ----------------------------------------------------------------- ATOM 27 N LEU A 23 -6.256 10.192 -6.492 1.00 0.00 N ATOM 28 CA LEU A 23 -6.426 8.785 -6.132 1.00 0.00 C ATOM 29 C LEU A 23 -6.180 8.554 -4.649 1.00 0.00 C ATOM 30 O LEU A 23 -5.209 9.051 -4.090 1.00 0.00 O ATOM 31 CB LEU A 23 -5.498 7.912 -6.979 1.00 0.00 C ATOM 32 CG LEU A 23 -5.785 7.951 -8.483 1.00 0.00 C ATOM 33 CD1 LEU A 23 -4.792 8.857 -9.195 1.00 0.00 C ATOM 34 CD2 LEU A 23 -5.752 6.548 -9.076 1.00 0.00 C ATOM 0 HA LEU A 23 -7.459 8.505 -6.337 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.469 8.228 -6.810 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.575 6.881 -6.634 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.786 8.358 -8.628 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.013 8.871 -10.262 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.870 9.868 -8.795 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.781 8.482 -9.039 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.959 6.600 -10.145 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.767 6.109 -8.918 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.507 5.930 -8.590 1.00 0.00 H new ATOM 46 N ARG A 24 -7.085 7.821 -4.014 1.00 0.00 N ATOM 47 CA ARG A 24 -6.971 7.544 -2.587 1.00 0.00 C ATOM 48 C ARG A 24 -6.313 6.191 -2.331 1.00 0.00 C ATOM 49 O ARG A 24 -6.751 5.164 -2.849 1.00 0.00 O ATOM 50 CB ARG A 24 -8.347 7.599 -1.911 1.00 0.00 C ATOM 51 CG ARG A 24 -9.207 6.367 -2.149 1.00 0.00 C ATOM 52 CD ARG A 24 -10.539 6.472 -1.422 1.00 0.00 C ATOM 53 NE ARG A 24 -11.002 5.174 -0.938 1.00 0.00 N ATOM 54 CZ ARG A 24 -11.862 5.019 0.067 1.00 0.00 C ATOM 55 NH1 ARG A 24 -12.363 6.078 0.693 1.00 0.00 N ATOM 56 NH2 ARG A 24 -12.224 3.801 0.447 1.00 0.00 N ATOM 0 H ARG A 24 -7.903 7.409 -4.462 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.335 8.316 -2.154 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.207 7.729 -0.838 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.882 8.477 -2.272 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.383 6.245 -3.218 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.675 5.478 -1.810 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.440 7.158 -0.581 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.286 6.896 -2.093 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.645 4.336 -1.397 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.090 7.017 0.405 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.021 5.952 1.462 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.844 2.984 -0.030 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.883 3.682 1.217 1.00 0.00 H new ATOM 70 N LEU A 25 -5.266 6.204 -1.514 1.00 0.00 N ATOM 71 CA LEU A 25 -4.549 4.994 -1.164 1.00 0.00 C ATOM 72 C LEU A 25 -5.178 4.369 0.071 1.00 0.00 C ATOM 73 O LEU A 25 -5.581 5.075 0.995 1.00 0.00 O ATOM 74 CB LEU A 25 -3.082 5.317 -0.892 1.00 0.00 C ATOM 75 CG LEU A 25 -2.115 4.157 -1.082 1.00 0.00 C ATOM 76 CD1 LEU A 25 -0.678 4.611 -0.881 1.00 0.00 C ATOM 77 CD2 LEU A 25 -2.448 3.020 -0.135 1.00 0.00 C ATOM 0 H LEU A 25 -4.896 7.050 -1.081 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.607 4.290 -1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.779 6.133 -1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.991 5.681 0.131 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.220 3.796 -2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.006 3.765 -1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.438 5.390 -1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.559 5.005 0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.745 2.201 -0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.378 3.371 0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.461 2.669 -0.330 1.00 0.00 H new ATOM 89 N SER A 26 -5.266 3.049 0.086 1.00 0.00 N ATOM 90 CA SER A 26 -5.858 2.352 1.222 1.00 0.00 C ATOM 91 C SER A 26 -5.114 1.060 1.516 1.00 0.00 C ATOM 92 O SER A 26 -5.128 0.128 0.715 1.00 0.00 O ATOM 93 CB SER A 26 -7.337 2.062 0.957 1.00 0.00 C ATOM 94 OG SER A 26 -7.800 0.984 1.752 1.00 0.00 O ATOM 0 H SER A 26 -4.940 2.442 -0.666 1.00 0.00 H new ATOM 0 HA SER A 26 -5.776 2.999 2.096 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.928 2.953 1.168 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.481 1.827 -0.098 1.00 0.00 H new ATOM 0 HG SER A 26 -8.748 0.822 1.563 1.00 0.00 H new ATOM 100 N VAL A 27 -4.466 1.004 2.670 1.00 0.00 N ATOM 101 CA VAL A 27 -3.724 -0.184 3.055 1.00 0.00 C ATOM 102 C VAL A 27 -4.505 -1.021 4.058 1.00 0.00 C ATOM 103 O VAL A 27 -4.858 -0.554 5.141 1.00 0.00 O ATOM 104 CB VAL A 27 -2.339 0.170 3.627 1.00 0.00 C ATOM 105 CG1 VAL A 27 -2.430 0.646 5.069 1.00 0.00 C ATOM 106 CG2 VAL A 27 -1.407 -1.020 3.507 1.00 0.00 C ATOM 0 H VAL A 27 -4.439 1.763 3.351 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.577 -0.773 2.150 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.934 0.996 3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.432 0.886 5.437 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.059 1.535 5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.864 -0.141 5.685 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.430 -0.760 3.914 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.819 -1.862 4.063 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.301 -1.295 2.458 1.00 0.00 H new ATOM 116 N PHE A 28 -4.781 -2.257 3.676 1.00 0.00 N ATOM 117 CA PHE A 28 -5.529 -3.168 4.518 1.00 0.00 C ATOM 118 C PHE A 28 -4.616 -4.130 5.269 1.00 0.00 C ATOM 119 O PHE A 28 -3.551 -4.511 4.783 1.00 0.00 O ATOM 120 CB PHE A 28 -6.532 -3.956 3.683 1.00 0.00 C ATOM 121 CG PHE A 28 -7.844 -4.108 4.378 1.00 0.00 C ATOM 122 CD1 PHE A 28 -8.534 -2.988 4.805 1.00 0.00 C ATOM 123 CD2 PHE A 28 -8.377 -5.360 4.624 1.00 0.00 C ATOM 124 CE1 PHE A 28 -9.735 -3.112 5.467 1.00 0.00 C ATOM 125 CE2 PHE A 28 -9.582 -5.493 5.283 1.00 0.00 C ATOM 126 CZ PHE A 28 -10.263 -4.368 5.707 1.00 0.00 C ATOM 0 H PHE A 28 -4.494 -2.652 2.780 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.059 -2.566 5.256 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.684 -3.452 2.729 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.123 -4.942 3.461 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.126 -2.006 4.617 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -7.845 -6.242 4.297 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.264 -2.230 5.798 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -9.992 -6.475 5.467 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.205 -4.469 6.225 1.00 0.00 H new ATOM 136 N ARG A 29 -5.059 -4.522 6.458 1.00 0.00 N ATOM 137 CA ARG A 29 -4.315 -5.448 7.303 1.00 0.00 C ATOM 138 C ARG A 29 -5.288 -6.314 8.091 1.00 0.00 C ATOM 139 O ARG A 29 -6.102 -5.801 8.860 1.00 0.00 O ATOM 140 CB ARG A 29 -3.394 -4.689 8.265 1.00 0.00 C ATOM 141 CG ARG A 29 -2.833 -3.396 7.694 1.00 0.00 C ATOM 142 CD ARG A 29 -1.512 -3.030 8.345 1.00 0.00 C ATOM 143 NE ARG A 29 -1.635 -2.891 9.793 1.00 0.00 N ATOM 144 CZ ARG A 29 -2.250 -1.872 10.391 1.00 0.00 C ATOM 145 NH1 ARG A 29 -2.797 -0.902 9.670 1.00 0.00 N ATOM 146 NH2 ARG A 29 -2.319 -1.825 11.714 1.00 0.00 N ATOM 0 H ARG A 29 -5.941 -4.208 6.862 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.697 -6.081 6.666 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.946 -4.462 9.177 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.566 -5.339 8.547 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.693 -3.502 6.618 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.550 -2.589 7.844 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.771 -3.796 8.116 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.146 -2.095 7.921 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.226 -3.617 10.381 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.748 -0.934 8.652 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.267 -0.124 10.134 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.901 -2.569 12.273 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.790 -1.045 12.173 1.00 0.00 H new ATOM 160 N SER A 30 -5.216 -7.625 7.893 1.00 0.00 N ATOM 161 CA SER A 30 -6.116 -8.541 8.590 1.00 0.00 C ATOM 162 C SER A 30 -5.517 -8.989 9.920 1.00 0.00 C ATOM 163 O SER A 30 -6.165 -8.915 10.964 1.00 0.00 O ATOM 164 CB SER A 30 -6.413 -9.760 7.715 1.00 0.00 C ATOM 165 OG SER A 30 -6.313 -9.437 6.338 1.00 0.00 O ATOM 0 H SER A 30 -4.552 -8.076 7.263 1.00 0.00 H new ATOM 0 HA SER A 30 -7.047 -8.011 8.793 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.715 -10.562 7.955 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.414 -10.132 7.933 1.00 0.00 H new ATOM 0 HG SER A 30 -6.506 -10.233 5.800 1.00 0.00 H new ATOM 171 N LEU A 31 -4.276 -9.451 9.867 1.00 0.00 N ATOM 172 CA LEU A 31 -3.565 -9.917 11.051 1.00 0.00 C ATOM 173 C LEU A 31 -2.165 -10.362 10.656 1.00 0.00 C ATOM 174 O LEU A 31 -1.167 -9.881 11.192 1.00 0.00 O ATOM 175 CB LEU A 31 -4.318 -11.074 11.712 1.00 0.00 C ATOM 176 CG LEU A 31 -3.743 -11.540 13.052 1.00 0.00 C ATOM 177 CD1 LEU A 31 -4.859 -11.988 13.984 1.00 0.00 C ATOM 178 CD2 LEU A 31 -2.740 -12.663 12.839 1.00 0.00 C ATOM 0 H LEU A 31 -3.734 -9.514 9.005 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.498 -9.100 11.769 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.355 -10.773 11.864 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.329 -11.920 11.025 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.225 -10.701 13.516 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.432 -12.316 14.932 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.541 -11.156 14.162 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.405 -12.813 13.527 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.341 -12.982 13.802 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.234 -13.505 12.354 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.925 -12.308 12.208 1.00 0.00 H new ATOM 190 N LYS A 32 -2.112 -11.268 9.689 1.00 0.00 N ATOM 191 CA LYS A 32 -0.850 -11.776 9.172 1.00 0.00 C ATOM 192 C LYS A 32 -0.729 -11.450 7.683 1.00 0.00 C ATOM 193 O LYS A 32 0.165 -11.945 6.998 1.00 0.00 O ATOM 194 CB LYS A 32 -0.753 -13.288 9.392 1.00 0.00 C ATOM 195 CG LYS A 32 0.485 -13.712 10.165 1.00 0.00 C ATOM 196 CD LYS A 32 0.497 -15.211 10.419 1.00 0.00 C ATOM 197 CE LYS A 32 1.390 -15.938 9.427 1.00 0.00 C ATOM 198 NZ LYS A 32 1.517 -17.386 9.750 1.00 0.00 N ATOM 0 H LYS A 32 -2.937 -11.669 9.244 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.032 -11.296 9.708 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.640 -13.626 9.928 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.756 -13.789 8.424 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.378 -13.429 9.607 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.521 -13.180 11.116 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.844 -15.406 11.434 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.519 -15.601 10.349 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.983 -15.825 8.422 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.379 -15.479 9.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.134 -17.845 9.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.929 -17.495 10.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.577 -17.830 9.727 1.00 0.00 H new ATOM 212 N HIS A 33 -1.645 -10.613 7.192 1.00 0.00 N ATOM 213 CA HIS A 33 -1.657 -10.217 5.791 1.00 0.00 C ATOM 214 C HIS A 33 -1.491 -8.709 5.649 1.00 0.00 C ATOM 215 O HIS A 33 -1.937 -7.939 6.499 1.00 0.00 O ATOM 216 CB HIS A 33 -2.966 -10.653 5.129 1.00 0.00 C ATOM 217 CG HIS A 33 -2.988 -12.098 4.747 1.00 0.00 C ATOM 218 ND1 HIS A 33 -3.773 -12.599 3.730 1.00 0.00 N ATOM 219 CD2 HIS A 33 -2.313 -13.152 5.253 1.00 0.00 C ATOM 220 CE1 HIS A 33 -3.579 -13.902 3.628 1.00 0.00 C ATOM 221 NE2 HIS A 33 -2.696 -14.263 4.542 1.00 0.00 N ATOM 0 H HIS A 33 -2.390 -10.197 7.751 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.819 -10.708 5.296 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.793 -10.453 5.810 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -3.133 -10.047 4.238 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -1.603 -13.126 6.066 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.060 -14.559 2.919 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -2.354 -15.212 4.695 1.00 0.00 H new ATOM 230 N ILE A 34 -0.854 -8.299 4.561 1.00 0.00 N ATOM 231 CA ILE A 34 -0.631 -6.891 4.285 1.00 0.00 C ATOM 232 C ILE A 34 -1.046 -6.576 2.852 1.00 0.00 C ATOM 233 O ILE A 34 -0.680 -7.298 1.927 1.00 0.00 O ATOM 234 CB ILE A 34 0.850 -6.518 4.480 1.00 0.00 C ATOM 235 CG1 ILE A 34 1.100 -5.071 4.058 1.00 0.00 C ATOM 236 CG2 ILE A 34 1.736 -7.472 3.689 1.00 0.00 C ATOM 237 CD1 ILE A 34 0.218 -4.073 4.776 1.00 0.00 C ATOM 0 H ILE A 34 -0.481 -8.929 3.851 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.232 -6.308 4.983 1.00 0.00 H new ATOM 0 HB ILE A 34 1.099 -6.608 5.537 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.144 -4.821 4.245 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.938 -4.981 2.984 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.782 -7.201 3.833 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.574 -8.492 4.038 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.486 -7.407 2.630 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.449 -3.066 4.428 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.828 -4.297 4.569 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.397 -4.135 5.849 1.00 0.00 H new ATOM 249 N TYR A 35 -1.825 -5.516 2.668 1.00 0.00 N ATOM 250 CA TYR A 35 -2.291 -5.153 1.339 1.00 0.00 C ATOM 251 C TYR A 35 -2.431 -3.643 1.180 1.00 0.00 C ATOM 252 O TYR A 35 -2.749 -2.933 2.129 1.00 0.00 O ATOM 253 CB TYR A 35 -3.651 -5.809 1.066 1.00 0.00 C ATOM 254 CG TYR A 35 -3.573 -7.289 0.764 1.00 0.00 C ATOM 255 CD1 TYR A 35 -3.259 -8.206 1.759 1.00 0.00 C ATOM 256 CD2 TYR A 35 -3.811 -7.769 -0.518 1.00 0.00 C ATOM 257 CE1 TYR A 35 -3.182 -9.557 1.486 1.00 0.00 C ATOM 258 CE2 TYR A 35 -3.736 -9.120 -0.800 1.00 0.00 C ATOM 259 CZ TYR A 35 -3.420 -10.010 0.205 1.00 0.00 C ATOM 260 OH TYR A 35 -3.345 -11.356 -0.071 1.00 0.00 O ATOM 0 H TYR A 35 -2.144 -4.900 3.416 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.547 -5.507 0.625 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.295 -5.659 1.933 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.125 -5.302 0.225 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.072 -7.856 2.763 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.059 -7.075 -1.307 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.937 -10.256 2.272 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -3.924 -9.477 -1.802 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.541 -11.507 -1.019 1.00 0.00 H new ATOM 270 N ALA A 36 -2.236 -3.175 -0.043 1.00 0.00 N ATOM 271 CA ALA A 36 -2.389 -1.761 -0.366 1.00 0.00 C ATOM 272 C ALA A 36 -3.171 -1.626 -1.656 1.00 0.00 C ATOM 273 O ALA A 36 -2.752 -2.126 -2.699 1.00 0.00 O ATOM 274 CB ALA A 36 -1.050 -1.046 -0.506 1.00 0.00 C ATOM 0 H ALA A 36 -1.969 -3.758 -0.836 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.923 -1.291 0.460 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.221 0.003 -0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.499 -1.118 0.432 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.471 -1.511 -1.304 1.00 0.00 H new ATOM 280 N GLN A 37 -4.297 -0.942 -1.589 1.00 0.00 N ATOM 281 CA GLN A 37 -5.118 -0.741 -2.769 1.00 0.00 C ATOM 282 C GLN A 37 -5.133 0.725 -3.143 1.00 0.00 C ATOM 283 O GLN A 37 -5.676 1.562 -2.425 1.00 0.00 O ATOM 284 CB GLN A 37 -6.550 -1.242 -2.556 1.00 0.00 C ATOM 285 CG GLN A 37 -7.299 -0.514 -1.459 1.00 0.00 C ATOM 286 CD GLN A 37 -8.652 -1.131 -1.169 1.00 0.00 C ATOM 287 OE1 GLN A 37 -9.687 -0.481 -1.312 1.00 0.00 O ATOM 288 NE2 GLN A 37 -8.650 -2.395 -0.761 1.00 0.00 N ATOM 0 H GLN A 37 -4.663 -0.518 -0.736 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.681 -1.321 -3.582 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.103 -1.139 -3.490 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.521 -2.305 -2.318 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.699 -0.519 -0.549 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.433 0.529 -1.746 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.768 -2.896 -0.656 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.531 -2.865 -0.552 1.00 0.00 H new ATOM 297 N ILE A 38 -4.540 1.023 -4.280 1.00 0.00 N ATOM 298 CA ILE A 38 -4.490 2.378 -4.772 1.00 0.00 C ATOM 299 C ILE A 38 -5.705 2.610 -5.657 1.00 0.00 C ATOM 300 O ILE A 38 -5.742 2.200 -6.824 1.00 0.00 O ATOM 301 CB ILE A 38 -3.183 2.664 -5.537 1.00 0.00 C ATOM 302 CG1 ILE A 38 -2.029 1.775 -5.002 1.00 0.00 C ATOM 303 CG2 ILE A 38 -2.843 4.143 -5.429 1.00 0.00 C ATOM 304 CD1 ILE A 38 -1.185 2.392 -3.907 1.00 0.00 C ATOM 0 H ILE A 38 -4.084 0.338 -4.882 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.507 3.067 -3.927 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.320 2.417 -6.590 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.455 0.844 -4.628 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.377 1.515 -5.836 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.919 4.344 -5.970 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.651 4.734 -5.859 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.715 4.411 -4.380 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.409 1.688 -3.606 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.722 3.307 -4.276 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.816 2.625 -3.049 1.00 0.00 H new ATOM 316 N ILE A 39 -6.725 3.204 -5.052 1.00 0.00 N ATOM 317 CA ILE A 39 -7.997 3.439 -5.720 1.00 0.00 C ATOM 318 C ILE A 39 -8.143 4.856 -6.254 1.00 0.00 C ATOM 319 O ILE A 39 -7.427 5.773 -5.852 1.00 0.00 O ATOM 320 CB ILE A 39 -9.173 3.183 -4.753 1.00 0.00 C ATOM 321 CG1 ILE A 39 -8.833 2.078 -3.749 1.00 0.00 C ATOM 322 CG2 ILE A 39 -10.430 2.835 -5.525 1.00 0.00 C ATOM 323 CD1 ILE A 39 -8.544 2.606 -2.362 1.00 0.00 C ATOM 0 H ILE A 39 -6.694 3.535 -4.088 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.015 2.746 -6.562 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.353 4.100 -4.192 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.663 1.374 -3.698 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.966 1.523 -4.108 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.248 2.658 -4.827 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.690 3.660 -6.187 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.257 1.936 -6.116 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.310 1.774 -1.697 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.695 3.288 -2.402 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.418 3.137 -1.985 1.00 0.00 H new ATOM 335 N ASP A 40 -9.122 5.018 -7.139 1.00 0.00 N ATOM 336 CA ASP A 40 -9.442 6.307 -7.722 1.00 0.00 C ATOM 337 C ASP A 40 -10.641 6.887 -6.983 1.00 0.00 C ATOM 338 O ASP A 40 -11.780 6.443 -7.184 1.00 0.00 O ATOM 339 CB ASP A 40 -9.759 6.167 -9.215 1.00 0.00 C ATOM 340 CG ASP A 40 -8.950 7.120 -10.072 1.00 0.00 C ATOM 341 OD1 ASP A 40 -8.752 8.278 -9.647 1.00 0.00 O ATOM 342 OD2 ASP A 40 -8.515 6.709 -11.168 1.00 0.00 O ATOM 0 H ASP A 40 -9.714 4.256 -7.469 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.584 6.972 -7.625 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.561 5.143 -9.531 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.821 6.351 -9.376 1.00 0.00 H new ATOM 347 N ASP A 41 -10.357 7.849 -6.107 1.00 0.00 N ATOM 348 CA ASP A 41 -11.375 8.503 -5.279 1.00 0.00 C ATOM 349 C ASP A 41 -12.029 9.686 -5.990 1.00 0.00 C ATOM 350 O ASP A 41 -12.551 10.599 -5.351 1.00 0.00 O ATOM 351 CB ASP A 41 -10.760 8.973 -3.962 1.00 0.00 C ATOM 352 CG ASP A 41 -9.573 9.890 -4.177 1.00 0.00 C ATOM 353 OD1 ASP A 41 -8.918 9.772 -5.233 1.00 0.00 O ATOM 354 OD2 ASP A 41 -9.300 10.727 -3.291 1.00 0.00 O ATOM 0 H ASP A 41 -9.412 8.200 -5.949 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.152 7.764 -5.084 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.517 9.494 -3.375 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.446 8.106 -3.380 1.00 0.00 H new ATOM 359 N GLU A 42 -12.046 9.627 -7.307 1.00 0.00 N ATOM 360 CA GLU A 42 -12.689 10.647 -8.129 1.00 0.00 C ATOM 361 C GLU A 42 -13.860 9.951 -8.777 1.00 0.00 C ATOM 362 O GLU A 42 -15.009 10.386 -8.708 1.00 0.00 O ATOM 363 CB GLU A 42 -11.728 11.205 -9.184 1.00 0.00 C ATOM 364 CG GLU A 42 -10.714 10.192 -9.692 1.00 0.00 C ATOM 365 CD GLU A 42 -9.613 10.832 -10.516 1.00 0.00 C ATOM 366 OE1 GLU A 42 -9.843 11.089 -11.716 1.00 0.00 O ATOM 367 OE2 GLU A 42 -8.521 11.074 -9.961 1.00 0.00 O ATOM 0 H GLU A 42 -11.616 8.873 -7.842 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.003 11.503 -7.532 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.308 11.578 -10.028 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.195 12.057 -8.761 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.271 9.670 -8.844 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.226 9.443 -10.296 1.00 0.00 H new ATOM 374 N LYS A 43 -13.526 8.792 -9.311 1.00 0.00 N ATOM 375 CA LYS A 43 -14.468 7.878 -9.890 1.00 0.00 C ATOM 376 C LYS A 43 -14.162 6.547 -9.241 1.00 0.00 C ATOM 377 O LYS A 43 -13.043 6.056 -9.367 1.00 0.00 O ATOM 378 CB LYS A 43 -14.279 7.785 -11.404 1.00 0.00 C ATOM 379 CG LYS A 43 -14.703 9.036 -12.146 1.00 0.00 C ATOM 380 CD LYS A 43 -16.214 9.208 -12.137 1.00 0.00 C ATOM 381 CE LYS A 43 -16.832 8.791 -13.462 1.00 0.00 C ATOM 382 NZ LYS A 43 -17.266 9.967 -14.266 1.00 0.00 N ATOM 0 H LYS A 43 -12.563 8.459 -9.351 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.497 8.196 -9.725 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.230 7.583 -11.619 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.851 6.937 -11.782 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -14.234 9.907 -11.688 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.348 8.987 -13.175 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -16.644 8.613 -11.331 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -16.461 10.249 -11.931 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -16.109 8.208 -14.032 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -17.688 8.143 -13.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -17.682 9.641 -15.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -17.975 10.510 -13.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.445 10.573 -14.466 1.00 0.00 H new ATOM 396 N GLY A 44 -15.118 5.978 -8.519 1.00 0.00 N ATOM 397 CA GLY A 44 -14.861 4.717 -7.845 1.00 0.00 C ATOM 398 C GLY A 44 -14.163 3.730 -8.752 1.00 0.00 C ATOM 399 O GLY A 44 -14.812 2.941 -9.438 1.00 0.00 O ATOM 0 H GLY A 44 -16.055 6.359 -8.388 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.248 4.895 -6.961 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.803 4.291 -7.499 1.00 0.00 H new ATOM 403 N VAL A 45 -12.834 3.808 -8.797 1.00 0.00 N ATOM 404 CA VAL A 45 -12.070 2.939 -9.684 1.00 0.00 C ATOM 405 C VAL A 45 -10.814 2.366 -9.030 1.00 0.00 C ATOM 406 O VAL A 45 -9.857 3.089 -8.774 1.00 0.00 O ATOM 407 CB VAL A 45 -11.646 3.718 -10.947 1.00 0.00 C ATOM 408 CG1 VAL A 45 -10.912 2.812 -11.925 1.00 0.00 C ATOM 409 CG2 VAL A 45 -12.855 4.366 -11.612 1.00 0.00 C ATOM 0 H VAL A 45 -12.274 4.453 -8.239 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.727 2.106 -9.934 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.960 4.508 -10.642 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.624 3.385 -12.806 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.019 2.408 -11.447 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.566 1.993 -12.223 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.534 4.910 -12.500 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.570 3.595 -11.898 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.327 5.057 -10.914 1.00 0.00 H new ATOM 419 N THR A 46 -10.801 1.054 -8.815 1.00 0.00 N ATOM 420 CA THR A 46 -9.629 0.394 -8.247 1.00 0.00 C ATOM 421 C THR A 46 -8.575 0.250 -9.337 1.00 0.00 C ATOM 422 O THR A 46 -8.847 -0.321 -10.393 1.00 0.00 O ATOM 423 CB THR A 46 -9.998 -0.979 -7.678 1.00 0.00 C ATOM 424 OG1 THR A 46 -11.122 -0.881 -6.820 1.00 0.00 O ATOM 425 CG2 THR A 46 -8.876 -1.626 -6.892 1.00 0.00 C ATOM 0 H THR A 46 -11.581 0.431 -9.023 1.00 0.00 H new ATOM 0 HA THR A 46 -9.236 0.996 -7.428 1.00 0.00 H new ATOM 0 HB THR A 46 -10.216 -1.601 -8.546 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.343 -1.768 -6.468 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.206 -2.595 -6.518 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.010 -1.762 -7.539 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.604 -0.986 -6.052 1.00 0.00 H new ATOM 433 N LEU A 47 -7.385 0.795 -9.106 1.00 0.00 N ATOM 434 CA LEU A 47 -6.334 0.736 -10.113 1.00 0.00 C ATOM 435 C LEU A 47 -5.278 -0.312 -9.789 1.00 0.00 C ATOM 436 O LEU A 47 -5.101 -1.272 -10.539 1.00 0.00 O ATOM 437 CB LEU A 47 -5.680 2.105 -10.276 1.00 0.00 C ATOM 438 CG LEU A 47 -6.656 3.274 -10.317 1.00 0.00 C ATOM 439 CD1 LEU A 47 -6.978 3.765 -8.914 1.00 0.00 C ATOM 440 CD2 LEU A 47 -6.099 4.402 -11.169 1.00 0.00 C ATOM 0 H LEU A 47 -7.127 1.275 -8.244 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.805 0.443 -11.051 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.982 2.260 -9.453 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.094 2.106 -11.195 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.584 2.926 -10.770 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.677 4.600 -8.972 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.427 2.955 -8.339 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.061 4.093 -8.424 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.809 5.229 -11.187 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.154 4.744 -10.747 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.934 4.043 -12.185 1.00 0.00 H new ATOM 452 N VAL A 48 -4.559 -0.118 -8.691 1.00 0.00 N ATOM 453 CA VAL A 48 -3.508 -1.047 -8.316 1.00 0.00 C ATOM 454 C VAL A 48 -3.726 -1.618 -6.917 1.00 0.00 C ATOM 455 O VAL A 48 -4.245 -0.946 -6.030 1.00 0.00 O ATOM 456 CB VAL A 48 -2.130 -0.353 -8.395 1.00 0.00 C ATOM 457 CG1 VAL A 48 -1.143 -0.954 -7.407 1.00 0.00 C ATOM 458 CG2 VAL A 48 -1.587 -0.421 -9.815 1.00 0.00 C ATOM 0 H VAL A 48 -4.684 0.667 -8.052 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.537 -1.878 -9.021 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.264 0.694 -8.122 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.185 -0.441 -7.492 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.528 -0.840 -6.394 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.008 -2.013 -7.627 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.616 0.072 -9.857 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.478 -1.464 -10.113 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.278 0.080 -10.493 1.00 0.00 H new ATOM 468 N SER A 49 -3.301 -2.862 -6.734 1.00 0.00 N ATOM 469 CA SER A 49 -3.414 -3.537 -5.450 1.00 0.00 C ATOM 470 C SER A 49 -2.288 -4.549 -5.301 1.00 0.00 C ATOM 471 O SER A 49 -2.178 -5.493 -6.084 1.00 0.00 O ATOM 472 CB SER A 49 -4.770 -4.219 -5.313 1.00 0.00 C ATOM 473 OG SER A 49 -4.795 -5.457 -6.000 1.00 0.00 O ATOM 0 H SER A 49 -2.871 -3.427 -7.467 1.00 0.00 H new ATOM 0 HA SER A 49 -3.332 -2.795 -4.656 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.993 -4.381 -4.258 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.549 -3.566 -5.707 1.00 0.00 H new ATOM 0 HG SER A 49 -3.929 -5.608 -6.433 1.00 0.00 H new ATOM 479 N ALA A 50 -1.441 -4.334 -4.309 1.00 0.00 N ATOM 480 CA ALA A 50 -0.302 -5.218 -4.078 1.00 0.00 C ATOM 481 C ALA A 50 -0.194 -5.651 -2.620 1.00 0.00 C ATOM 482 O ALA A 50 -0.601 -4.928 -1.711 1.00 0.00 O ATOM 483 CB ALA A 50 0.984 -4.533 -4.515 1.00 0.00 C ATOM 0 H ALA A 50 -1.516 -3.559 -3.650 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.461 -6.117 -4.673 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.829 -5.199 -4.339 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.926 -4.293 -5.577 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.120 -3.615 -3.943 1.00 0.00 H new ATOM 489 N SER A 51 0.369 -6.838 -2.411 1.00 0.00 N ATOM 490 CA SER A 51 0.549 -7.380 -1.070 1.00 0.00 C ATOM 491 C SER A 51 1.774 -8.289 -1.014 1.00 0.00 C ATOM 492 O SER A 51 2.108 -8.957 -1.992 1.00 0.00 O ATOM 493 CB SER A 51 -0.697 -8.148 -0.634 1.00 0.00 C ATOM 494 OG SER A 51 -0.378 -9.153 0.314 1.00 0.00 O ATOM 0 H SER A 51 0.709 -7.444 -3.158 1.00 0.00 H new ATOM 0 HA SER A 51 0.706 -6.547 -0.385 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.421 -7.456 -0.204 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.169 -8.603 -1.505 1.00 0.00 H new ATOM 0 HG SER A 51 -0.761 -8.915 1.184 1.00 0.00 H new ATOM 500 N SER A 52 2.441 -8.305 0.134 1.00 0.00 N ATOM 501 CA SER A 52 3.633 -9.128 0.313 1.00 0.00 C ATOM 502 C SER A 52 3.307 -10.614 0.168 1.00 0.00 C ATOM 503 O SER A 52 3.734 -11.263 -0.787 1.00 0.00 O ATOM 504 CB SER A 52 4.262 -8.864 1.682 1.00 0.00 C ATOM 505 OG SER A 52 4.351 -7.474 1.944 1.00 0.00 O ATOM 0 H SER A 52 2.178 -7.759 0.954 1.00 0.00 H new ATOM 0 HA SER A 52 4.345 -8.857 -0.466 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.667 -9.346 2.458 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.256 -9.309 1.720 1.00 0.00 H new ATOM 0 HG SER A 52 4.755 -7.332 2.826 1.00 0.00 H new ATOM 679 N GLU A 63 8.629 -6.477 7.522 1.00 0.00 N ATOM 680 CA GLU A 63 9.759 -7.064 6.811 1.00 0.00 C ATOM 681 C GLU A 63 9.710 -6.728 5.324 1.00 0.00 C ATOM 682 O GLU A 63 10.574 -6.017 4.810 1.00 0.00 O ATOM 683 CB GLU A 63 9.773 -8.582 7.000 1.00 0.00 C ATOM 684 CG GLU A 63 11.096 -9.229 6.623 1.00 0.00 C ATOM 685 CD GLU A 63 12.077 -9.265 7.778 1.00 0.00 C ATOM 686 OE1 GLU A 63 12.147 -8.269 8.528 1.00 0.00 O ATOM 687 OE2 GLU A 63 12.775 -10.289 7.932 1.00 0.00 O ATOM 0 HA GLU A 63 10.673 -6.641 7.228 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.549 -8.812 8.042 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.978 -9.022 6.398 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.913 -10.246 6.275 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.540 -8.682 5.791 1.00 0.00 H new ATOM 694 N VAL A 64 8.700 -7.249 4.636 1.00 0.00 N ATOM 695 CA VAL A 64 8.546 -7.008 3.206 1.00 0.00 C ATOM 696 C VAL A 64 7.666 -5.794 2.931 1.00 0.00 C ATOM 697 O VAL A 64 7.693 -5.246 1.831 1.00 0.00 O ATOM 698 CB VAL A 64 7.939 -8.234 2.492 1.00 0.00 C ATOM 699 CG1 VAL A 64 7.643 -7.918 1.030 1.00 0.00 C ATOM 700 CG2 VAL A 64 8.869 -9.433 2.612 1.00 0.00 C ATOM 0 H VAL A 64 7.976 -7.840 5.045 1.00 0.00 H new ATOM 0 HA VAL A 64 9.546 -6.819 2.816 1.00 0.00 H new ATOM 0 HB VAL A 64 6.996 -8.483 2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.216 -8.797 0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.934 -7.092 0.973 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.567 -7.639 0.524 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.426 -10.289 2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.829 -9.196 2.154 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.018 -9.674 3.665 1.00 0.00 H new ATOM 710 N ALA A 65 6.876 -5.388 3.925 1.00 0.00 N ATOM 711 CA ALA A 65 5.973 -4.246 3.779 1.00 0.00 C ATOM 712 C ALA A 65 6.520 -3.199 2.812 1.00 0.00 C ATOM 713 O ALA A 65 5.798 -2.690 1.961 1.00 0.00 O ATOM 714 CB ALA A 65 5.697 -3.616 5.127 1.00 0.00 C ATOM 0 H ALA A 65 6.843 -5.834 4.842 1.00 0.00 H new ATOM 0 HA ALA A 65 5.041 -4.624 3.359 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.024 -2.768 5.001 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.235 -4.352 5.785 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.634 -3.274 5.567 1.00 0.00 H new ATOM 720 N ARG A 66 7.803 -2.897 2.929 1.00 0.00 N ATOM 721 CA ARG A 66 8.428 -1.929 2.038 1.00 0.00 C ATOM 722 C ARG A 66 8.410 -2.461 0.633 1.00 0.00 C ATOM 723 O ARG A 66 7.793 -1.889 -0.262 1.00 0.00 O ATOM 724 CB ARG A 66 9.861 -1.657 2.452 1.00 0.00 C ATOM 725 CG ARG A 66 10.116 -0.196 2.692 1.00 0.00 C ATOM 726 CD ARG A 66 11.269 0.309 1.861 1.00 0.00 C ATOM 727 NE ARG A 66 12.484 -0.475 2.070 1.00 0.00 N ATOM 728 CZ ARG A 66 13.711 -0.033 1.799 1.00 0.00 C ATOM 729 NH1 ARG A 66 13.893 1.186 1.305 1.00 0.00 N ATOM 730 NH2 ARG A 66 14.760 -0.812 2.024 1.00 0.00 N ATOM 0 H ARG A 66 8.428 -3.303 3.625 1.00 0.00 H new ATOM 0 HA ARG A 66 7.868 -0.996 2.094 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.088 -2.217 3.359 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.536 -2.019 1.677 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.218 0.375 2.455 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.328 -0.032 3.748 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.996 0.278 0.806 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.464 1.352 2.109 1.00 0.00 H new ATOM 0 HE ARG A 66 12.387 -1.418 2.446 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.090 1.791 1.131 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.836 1.518 1.100 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.627 -1.749 2.404 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.700 -0.474 1.817 1.00 0.00 H new ATOM 744 N GLN A 67 9.072 -3.585 0.463 1.00 0.00 N ATOM 745 CA GLN A 67 9.114 -4.252 -0.825 1.00 0.00 C ATOM 746 C GLN A 67 7.699 -4.357 -1.388 1.00 0.00 C ATOM 747 O GLN A 67 7.502 -4.424 -2.603 1.00 0.00 O ATOM 748 CB GLN A 67 9.738 -5.642 -0.689 1.00 0.00 C ATOM 749 CG GLN A 67 11.246 -5.652 -0.879 1.00 0.00 C ATOM 750 CD GLN A 67 11.867 -6.994 -0.543 1.00 0.00 C ATOM 751 OE1 GLN A 67 12.508 -7.151 0.496 1.00 0.00 O ATOM 752 NE2 GLN A 67 11.678 -7.970 -1.423 1.00 0.00 N ATOM 0 H GLN A 67 9.591 -4.059 1.202 1.00 0.00 H new ATOM 0 HA GLN A 67 9.731 -3.669 -1.509 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.502 -6.043 0.297 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.283 -6.309 -1.422 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.480 -5.396 -1.912 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.693 -4.881 -0.251 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.140 -7.795 -2.271 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.071 -8.895 -1.251 1.00 0.00 H new ATOM 761 N VAL A 68 6.703 -4.333 -0.494 1.00 0.00 N ATOM 762 CA VAL A 68 5.319 -4.389 -0.936 1.00 0.00 C ATOM 763 C VAL A 68 4.873 -3.011 -1.395 1.00 0.00 C ATOM 764 O VAL A 68 4.081 -2.878 -2.327 1.00 0.00 O ATOM 765 CB VAL A 68 4.343 -4.945 0.141 1.00 0.00 C ATOM 766 CG1 VAL A 68 3.720 -3.857 1.014 1.00 0.00 C ATOM 767 CG2 VAL A 68 3.249 -5.733 -0.547 1.00 0.00 C ATOM 0 H VAL A 68 6.832 -4.276 0.516 1.00 0.00 H new ATOM 0 HA VAL A 68 5.282 -5.093 -1.767 1.00 0.00 H new ATOM 0 HB VAL A 68 4.926 -5.581 0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.051 -4.314 1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.508 -3.314 1.536 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.156 -3.166 0.387 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.560 -6.127 0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.707 -5.081 -1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.691 -6.559 -1.104 1.00 0.00 H new ATOM 777 N GLY A 69 5.409 -1.982 -0.741 1.00 0.00 N ATOM 778 CA GLY A 69 5.073 -0.630 -1.112 1.00 0.00 C ATOM 779 C GLY A 69 5.819 -0.204 -2.353 1.00 0.00 C ATOM 780 O GLY A 69 5.348 0.643 -3.095 1.00 0.00 O ATOM 0 H GLY A 69 6.066 -2.067 0.035 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.000 -0.554 -1.285 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.312 0.046 -0.291 1.00 0.00 H new ATOM 784 N ARG A 70 6.994 -0.795 -2.580 1.00 0.00 N ATOM 785 CA ARG A 70 7.793 -0.467 -3.754 1.00 0.00 C ATOM 786 C ARG A 70 7.171 -1.108 -4.978 1.00 0.00 C ATOM 787 O ARG A 70 7.093 -0.490 -6.034 1.00 0.00 O ATOM 788 CB ARG A 70 9.253 -0.905 -3.575 1.00 0.00 C ATOM 789 CG ARG A 70 9.482 -2.398 -3.734 1.00 0.00 C ATOM 790 CD ARG A 70 9.838 -2.759 -5.165 1.00 0.00 C ATOM 791 NE ARG A 70 10.252 -4.155 -5.291 1.00 0.00 N ATOM 792 CZ ARG A 70 11.431 -4.618 -4.882 1.00 0.00 C ATOM 793 NH1 ARG A 70 12.314 -3.801 -4.321 1.00 0.00 N ATOM 794 NH2 ARG A 70 11.728 -5.901 -5.035 1.00 0.00 N ATOM 0 H ARG A 70 7.408 -1.498 -1.968 1.00 0.00 H new ATOM 0 HA ARG A 70 7.802 0.615 -3.887 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.870 -0.375 -4.301 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.593 -0.601 -2.585 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.283 -2.717 -3.067 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.584 -2.938 -3.434 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.978 -2.576 -5.810 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.641 -2.110 -5.514 1.00 0.00 H new ATOM 0 HE ARG A 70 9.599 -4.813 -5.717 1.00 0.00 H new ATOM 0 HH11 ARG A 70 12.091 -2.813 -4.201 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.216 -4.161 -4.009 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.053 -6.533 -5.466 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.631 -6.256 -4.722 1.00 0.00 H new ATOM 808 N ALA A 71 6.683 -2.332 -4.821 1.00 0.00 N ATOM 809 CA ALA A 71 6.018 -3.012 -5.918 1.00 0.00 C ATOM 810 C ALA A 71 4.675 -2.345 -6.167 1.00 0.00 C ATOM 811 O ALA A 71 4.223 -2.224 -7.304 1.00 0.00 O ATOM 812 CB ALA A 71 5.832 -4.483 -5.608 1.00 0.00 C ATOM 0 H ALA A 71 6.735 -2.867 -3.954 1.00 0.00 H new ATOM 0 HA ALA A 71 6.635 -2.940 -6.814 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.332 -4.971 -6.445 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.805 -4.947 -5.447 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.225 -4.591 -4.709 1.00 0.00 H new ATOM 818 N LEU A 72 4.061 -1.881 -5.080 1.00 0.00 N ATOM 819 CA LEU A 72 2.788 -1.187 -5.148 1.00 0.00 C ATOM 820 C LEU A 72 2.997 0.151 -5.816 1.00 0.00 C ATOM 821 O LEU A 72 2.357 0.484 -6.807 1.00 0.00 O ATOM 822 CB LEU A 72 2.241 -0.966 -3.742 1.00 0.00 C ATOM 823 CG LEU A 72 0.943 -0.160 -3.669 1.00 0.00 C ATOM 824 CD1 LEU A 72 -0.254 -1.084 -3.502 1.00 0.00 C ATOM 825 CD2 LEU A 72 1.011 0.848 -2.530 1.00 0.00 C ATOM 0 H LEU A 72 4.434 -1.977 -4.135 1.00 0.00 H new ATOM 0 HA LEU A 72 2.077 -1.785 -5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.073 -1.938 -3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.001 -0.456 -3.150 1.00 0.00 H new ATOM 0 HG LEU A 72 0.820 0.385 -4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.167 -0.491 -3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.309 -1.765 -4.351 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.144 -1.659 -2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.081 1.415 -2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.157 0.322 -1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.844 1.530 -2.697 1.00 0.00 H new ATOM 837 N ALA A 73 3.928 0.903 -5.260 1.00 0.00 N ATOM 838 CA ALA A 73 4.274 2.210 -5.793 1.00 0.00 C ATOM 839 C ALA A 73 4.809 2.069 -7.197 1.00 0.00 C ATOM 840 O ALA A 73 4.689 2.980 -8.008 1.00 0.00 O ATOM 841 CB ALA A 73 5.286 2.924 -4.906 1.00 0.00 C ATOM 0 H ALA A 73 4.462 0.630 -4.435 1.00 0.00 H new ATOM 0 HA ALA A 73 3.369 2.817 -5.815 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.522 3.898 -5.334 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.865 3.058 -3.909 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.196 2.327 -4.839 1.00 0.00 H new ATOM 847 N GLU A 74 5.366 0.907 -7.490 1.00 0.00 N ATOM 848 CA GLU A 74 5.878 0.639 -8.813 1.00 0.00 C ATOM 849 C GLU A 74 4.697 0.330 -9.726 1.00 0.00 C ATOM 850 O GLU A 74 4.703 0.652 -10.915 1.00 0.00 O ATOM 851 CB GLU A 74 6.875 -0.513 -8.761 1.00 0.00 C ATOM 852 CG GLU A 74 8.281 -0.078 -8.378 1.00 0.00 C ATOM 853 CD GLU A 74 9.133 -1.227 -7.875 1.00 0.00 C ATOM 854 OE1 GLU A 74 8.696 -2.391 -8.001 1.00 0.00 O ATOM 855 OE2 GLU A 74 10.237 -0.963 -7.355 1.00 0.00 O ATOM 0 H GLU A 74 5.473 0.138 -6.828 1.00 0.00 H new ATOM 0 HA GLU A 74 6.411 1.505 -9.207 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.524 -1.255 -8.044 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.906 -1.001 -9.735 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.765 0.376 -9.243 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.222 0.690 -7.607 1.00 0.00 H new ATOM 862 N LYS A 75 3.662 -0.258 -9.127 1.00 0.00 N ATOM 863 CA LYS A 75 2.430 -0.581 -9.822 1.00 0.00 C ATOM 864 C LYS A 75 1.656 0.693 -10.100 1.00 0.00 C ATOM 865 O LYS A 75 1.524 1.130 -11.242 1.00 0.00 O ATOM 866 CB LYS A 75 1.583 -1.496 -8.944 1.00 0.00 C ATOM 867 CG LYS A 75 1.909 -2.945 -9.135 1.00 0.00 C ATOM 868 CD LYS A 75 0.702 -3.833 -8.879 1.00 0.00 C ATOM 869 CE LYS A 75 0.883 -5.211 -9.491 1.00 0.00 C ATOM 870 NZ LYS A 75 0.096 -6.249 -8.770 1.00 0.00 N ATOM 0 H LYS A 75 3.661 -0.522 -8.142 1.00 0.00 H new ATOM 0 HA LYS A 75 2.664 -1.080 -10.762 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.733 -1.229 -7.898 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.529 -1.333 -9.167 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.270 -3.106 -10.151 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.718 -3.228 -8.461 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.541 -3.929 -7.805 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.190 -3.364 -9.294 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.578 -5.186 -10.537 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.939 -5.480 -9.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.248 -7.174 -9.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.404 -6.292 -7.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.915 -6.007 -8.808 1.00 0.00 H new ATOM 884 N ALA A 76 1.162 1.282 -9.020 1.00 0.00 N ATOM 885 CA ALA A 76 0.402 2.531 -9.086 1.00 0.00 C ATOM 886 C ALA A 76 1.087 3.513 -10.022 1.00 0.00 C ATOM 887 O ALA A 76 0.449 4.173 -10.844 1.00 0.00 O ATOM 888 CB ALA A 76 0.268 3.155 -7.704 1.00 0.00 C ATOM 0 H ALA A 76 1.274 0.913 -8.076 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.594 2.302 -9.466 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.300 4.082 -7.777 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.251 2.463 -7.041 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.259 3.368 -7.303 1.00 0.00 H new ATOM 894 N LEU A 77 2.404 3.585 -9.892 1.00 0.00 N ATOM 895 CA LEU A 77 3.205 4.457 -10.726 1.00 0.00 C ATOM 896 C LEU A 77 2.975 4.161 -12.201 1.00 0.00 C ATOM 897 O LEU A 77 2.899 5.071 -13.027 1.00 0.00 O ATOM 898 CB LEU A 77 4.683 4.284 -10.390 1.00 0.00 C ATOM 899 CG LEU A 77 5.248 5.248 -9.349 1.00 0.00 C ATOM 900 CD1 LEU A 77 6.709 4.919 -9.071 1.00 0.00 C ATOM 901 CD2 LEU A 77 5.101 6.687 -9.821 1.00 0.00 C ATOM 0 H LEU A 77 2.939 3.045 -9.212 1.00 0.00 H new ATOM 0 HA LEU A 77 2.906 5.487 -10.530 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.838 3.265 -10.035 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.260 4.393 -11.309 1.00 0.00 H new ATOM 0 HG LEU A 77 4.684 5.135 -8.423 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.103 5.612 -8.327 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.787 3.899 -8.694 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.284 5.010 -9.992 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.509 7.361 -9.067 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.643 6.820 -10.757 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.046 6.913 -9.977 1.00 0.00 H new ATOM 913 N ALA A 78 2.862 2.878 -12.520 1.00 0.00 N ATOM 914 CA ALA A 78 2.634 2.443 -13.889 1.00 0.00 C ATOM 915 C ALA A 78 1.413 3.137 -14.488 1.00 0.00 C ATOM 916 O ALA A 78 1.309 3.292 -15.705 1.00 0.00 O ATOM 917 CB ALA A 78 2.482 0.936 -13.925 1.00 0.00 C ATOM 0 H ALA A 78 2.925 2.117 -11.843 1.00 0.00 H new ATOM 0 HA ALA A 78 3.495 2.722 -14.497 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.311 0.612 -14.952 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.390 0.469 -13.544 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.635 0.641 -13.306 1.00 0.00 H new ATOM 923 N LEU A 79 0.511 3.587 -13.619 1.00 0.00 N ATOM 924 CA LEU A 79 -0.677 4.305 -14.051 1.00 0.00 C ATOM 925 C LEU A 79 -0.356 5.791 -14.111 1.00 0.00 C ATOM 926 O LEU A 79 -0.958 6.550 -14.870 1.00 0.00 O ATOM 927 CB LEU A 79 -1.853 4.097 -13.081 1.00 0.00 C ATOM 928 CG LEU A 79 -1.761 2.915 -12.110 1.00 0.00 C ATOM 929 CD1 LEU A 79 -2.337 3.311 -10.759 1.00 0.00 C ATOM 930 CD2 LEU A 79 -2.497 1.707 -12.671 1.00 0.00 C ATOM 0 H LEU A 79 0.584 3.465 -12.609 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.968 3.922 -15.029 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.971 5.008 -12.494 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.761 3.978 -13.672 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.713 2.645 -11.980 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.269 2.467 -10.073 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.774 4.153 -10.356 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.382 3.598 -10.879 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.422 0.877 -11.969 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.546 1.959 -12.824 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.051 1.419 -13.623 1.00 0.00 H new ATOM 942 N GLY A 80 0.596 6.187 -13.275 1.00 0.00 N ATOM 943 CA GLY A 80 1.005 7.568 -13.190 1.00 0.00 C ATOM 944 C GLY A 80 0.546 8.197 -11.893 1.00 0.00 C ATOM 945 O GLY A 80 0.545 9.419 -11.751 1.00 0.00 O ATOM 0 H GLY A 80 1.097 5.560 -12.646 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.090 7.634 -13.265 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.593 8.124 -14.032 1.00 0.00 H new ATOM 949 N ILE A 81 0.155 7.350 -10.940 1.00 0.00 N ATOM 950 CA ILE A 81 -0.306 7.823 -9.647 1.00 0.00 C ATOM 951 C ILE A 81 0.863 8.332 -8.829 1.00 0.00 C ATOM 952 O ILE A 81 1.653 7.562 -8.285 1.00 0.00 O ATOM 953 CB ILE A 81 -1.080 6.718 -8.884 1.00 0.00 C ATOM 954 CG1 ILE A 81 -2.486 6.516 -9.483 1.00 0.00 C ATOM 955 CG2 ILE A 81 -1.187 7.049 -7.399 1.00 0.00 C ATOM 956 CD1 ILE A 81 -2.676 7.100 -10.871 1.00 0.00 C ATOM 0 H ILE A 81 0.151 6.335 -11.045 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.999 8.648 -9.813 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.519 5.790 -8.992 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.699 5.448 -9.521 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.219 6.964 -8.812 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.735 6.257 -6.888 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.188 7.133 -6.972 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.715 7.994 -7.274 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.694 6.909 -11.210 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.499 8.175 -10.841 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.971 6.636 -11.561 1.00 0.00 H new ATOM 968 N LYS A 82 0.966 9.649 -8.776 1.00 0.00 N ATOM 969 CA LYS A 82 2.023 10.309 -8.068 1.00 0.00 C ATOM 970 C LYS A 82 1.627 10.607 -6.630 1.00 0.00 C ATOM 971 O LYS A 82 2.294 10.183 -5.690 1.00 0.00 O ATOM 972 CB LYS A 82 2.357 11.598 -8.796 1.00 0.00 C ATOM 973 CG LYS A 82 3.656 12.177 -8.341 1.00 0.00 C ATOM 974 CD LYS A 82 4.328 12.997 -9.431 1.00 0.00 C ATOM 975 CE LYS A 82 5.193 12.129 -10.329 1.00 0.00 C ATOM 976 NZ LYS A 82 4.380 11.170 -11.127 1.00 0.00 N ATOM 0 H LYS A 82 0.309 10.284 -9.229 1.00 0.00 H new ATOM 0 HA LYS A 82 2.894 9.654 -8.036 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.401 11.408 -9.868 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.560 12.323 -8.633 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.486 12.806 -7.467 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.322 11.372 -8.030 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.568 13.499 -10.031 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.941 13.775 -8.976 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.769 12.764 -11.002 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.910 11.578 -9.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.960 10.781 -11.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.055 10.396 -10.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.557 11.663 -11.528 1.00 0.00 H new ATOM 990 N GLN A 83 0.536 11.341 -6.471 1.00 0.00 N ATOM 991 CA GLN A 83 0.040 11.702 -5.152 1.00 0.00 C ATOM 992 C GLN A 83 -1.244 10.948 -4.841 1.00 0.00 C ATOM 993 O GLN A 83 -2.114 10.806 -5.701 1.00 0.00 O ATOM 994 CB GLN A 83 -0.201 13.210 -5.070 1.00 0.00 C ATOM 995 CG GLN A 83 0.532 13.876 -3.920 1.00 0.00 C ATOM 996 CD GLN A 83 -0.407 14.397 -2.850 1.00 0.00 C ATOM 997 OE1 GLN A 83 -1.314 15.181 -3.131 1.00 0.00 O ATOM 998 NE2 GLN A 83 -0.192 13.963 -1.613 1.00 0.00 N ATOM 0 H GLN A 83 -0.025 11.700 -7.244 1.00 0.00 H new ATOM 0 HA GLN A 83 0.792 11.426 -4.413 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.112 13.672 -6.006 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.270 13.394 -4.965 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.224 13.162 -3.474 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.130 14.701 -4.306 1.00 0.00 H new ATOM 0 HE21 GLN A 83 0.572 13.313 -1.426 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.791 14.279 -0.850 1.00 0.00 H new ATOM 1007 N VAL A 84 -1.360 10.462 -3.612 1.00 0.00 N ATOM 1008 CA VAL A 84 -2.546 9.720 -3.206 1.00 0.00 C ATOM 1009 C VAL A 84 -3.163 10.296 -1.939 1.00 0.00 C ATOM 1010 O VAL A 84 -2.539 11.077 -1.220 1.00 0.00 O ATOM 1011 CB VAL A 84 -2.246 8.222 -2.951 1.00 0.00 C ATOM 1012 CG1 VAL A 84 -3.326 7.348 -3.553 1.00 0.00 C ATOM 1013 CG2 VAL A 84 -0.893 7.818 -3.497 1.00 0.00 C ATOM 0 H VAL A 84 -0.653 10.567 -2.884 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.244 9.812 -4.038 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.230 8.078 -1.871 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.095 6.300 -3.362 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.287 7.595 -3.103 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.375 7.518 -4.628 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.721 6.760 -3.298 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.868 7.993 -4.573 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.115 8.409 -3.015 1.00 0.00 H new ATOM 1023 N ALA A 85 -4.386 9.869 -1.665 1.00 0.00 N ATOM 1024 CA ALA A 85 -5.111 10.288 -0.477 1.00 0.00 C ATOM 1025 C ALA A 85 -5.336 9.077 0.413 1.00 0.00 C ATOM 1026 O ALA A 85 -6.102 8.179 0.068 1.00 0.00 O ATOM 1027 CB ALA A 85 -6.435 10.936 -0.854 1.00 0.00 C ATOM 0 H ALA A 85 -4.903 9.222 -2.260 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.525 11.031 0.064 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.961 11.242 0.050 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.248 11.810 -1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.046 10.221 -1.405 1.00 0.00 H new ATOM 1033 N PHE A 86 -4.643 9.034 1.541 1.00 0.00 N ATOM 1034 CA PHE A 86 -4.750 7.898 2.443 1.00 0.00 C ATOM 1035 C PHE A 86 -5.992 7.983 3.319 1.00 0.00 C ATOM 1036 O PHE A 86 -6.058 8.774 4.260 1.00 0.00 O ATOM 1037 CB PHE A 86 -3.496 7.797 3.311 1.00 0.00 C ATOM 1038 CG PHE A 86 -2.945 6.404 3.397 1.00 0.00 C ATOM 1039 CD1 PHE A 86 -2.216 5.862 2.348 1.00 0.00 C ATOM 1040 CD2 PHE A 86 -3.160 5.634 4.528 1.00 0.00 C ATOM 1041 CE1 PHE A 86 -1.713 4.577 2.431 1.00 0.00 C ATOM 1042 CE2 PHE A 86 -2.660 4.350 4.615 1.00 0.00 C ATOM 1043 CZ PHE A 86 -1.936 3.821 3.566 1.00 0.00 C ATOM 0 H PHE A 86 -4.005 9.767 1.852 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.841 6.999 1.833 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.730 8.459 2.909 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.728 8.151 4.315 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.040 6.449 1.459 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.726 6.043 5.352 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.146 4.164 1.609 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.835 3.760 5.503 1.00 0.00 H new ATOM 0 HZ PHE A 86 -1.544 2.817 3.632 1.00 0.00 H new ATOM 1053 N ASP A 87 -6.972 7.145 2.995 1.00 0.00 N ATOM 1054 CA ASP A 87 -8.224 7.090 3.736 1.00 0.00 C ATOM 1055 C ASP A 87 -8.474 5.675 4.247 1.00 0.00 C ATOM 1056 O ASP A 87 -9.576 5.142 4.118 1.00 0.00 O ATOM 1057 CB ASP A 87 -9.383 7.538 2.845 1.00 0.00 C ATOM 1058 CG ASP A 87 -10.368 8.427 3.578 1.00 0.00 C ATOM 1059 OD1 ASP A 87 -10.014 9.589 3.872 1.00 0.00 O ATOM 1060 OD2 ASP A 87 -11.492 7.962 3.859 1.00 0.00 O ATOM 0 H ASP A 87 -6.920 6.489 2.216 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.154 7.764 4.590 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.988 8.074 1.982 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.905 6.660 2.464 1.00 0.00 H new ATOM 1065 N ARG A 88 -7.436 5.070 4.823 1.00 0.00 N ATOM 1066 CA ARG A 88 -7.525 3.711 5.354 1.00 0.00 C ATOM 1067 C ARG A 88 -8.824 3.500 6.130 1.00 0.00 C ATOM 1068 O ARG A 88 -9.503 2.487 5.961 1.00 0.00 O ATOM 1069 CB ARG A 88 -6.329 3.421 6.261 1.00 0.00 C ATOM 1070 CG ARG A 88 -6.153 4.443 7.374 1.00 0.00 C ATOM 1071 CD ARG A 88 -4.698 4.569 7.794 1.00 0.00 C ATOM 1072 NE ARG A 88 -4.319 5.958 8.040 1.00 0.00 N ATOM 1073 CZ ARG A 88 -3.062 6.398 8.031 1.00 0.00 C ATOM 1074 NH1 ARG A 88 -2.060 5.561 7.793 1.00 0.00 N ATOM 1075 NH2 ARG A 88 -2.806 7.679 8.260 1.00 0.00 N ATOM 0 H ARG A 88 -6.519 5.503 4.934 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.517 3.022 4.509 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.448 2.431 6.702 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.422 3.393 5.657 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -6.521 5.413 7.039 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.757 4.153 8.234 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.529 3.982 8.696 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.059 4.151 7.017 1.00 0.00 H new ATOM 0 HE ARG A 88 -5.061 6.631 8.230 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.250 4.575 7.616 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.099 5.904 7.787 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.572 8.327 8.443 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.843 8.016 8.253 1.00 0.00 H new ATOM 1089 N GLY A 89 -9.160 4.463 6.982 1.00 0.00 N ATOM 1090 CA GLY A 89 -10.374 4.367 7.772 1.00 0.00 C ATOM 1091 C GLY A 89 -10.092 4.171 9.251 1.00 0.00 C ATOM 1092 O GLY A 89 -9.570 5.073 9.907 1.00 0.00 O ATOM 0 H GLY A 89 -8.613 5.309 7.140 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.965 5.273 7.635 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.976 3.535 7.407 1.00 0.00 H new ATOM 1096 N PRO A 90 -10.433 2.996 9.814 1.00 0.00 N ATOM 1097 CA PRO A 90 -10.212 2.703 11.228 1.00 0.00 C ATOM 1098 C PRO A 90 -8.830 2.114 11.503 1.00 0.00 C ATOM 1099 O PRO A 90 -8.637 1.402 12.489 1.00 0.00 O ATOM 1100 CB PRO A 90 -11.297 1.670 11.515 1.00 0.00 C ATOM 1101 CG PRO A 90 -11.432 0.908 10.238 1.00 0.00 C ATOM 1102 CD PRO A 90 -11.070 1.860 9.121 1.00 0.00 C ATOM 0 HA PRO A 90 -10.256 3.597 11.850 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -11.015 1.016 12.340 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.236 2.147 11.794 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.773 0.040 10.235 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -12.449 0.537 10.115 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -10.390 1.397 8.406 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -11.952 2.176 8.564 1.00 0.00 H new ATOM 1110 N TYR A 91 -7.873 2.408 10.628 1.00 0.00 N ATOM 1111 CA TYR A 91 -6.515 1.899 10.786 1.00 0.00 C ATOM 1112 C TYR A 91 -5.637 2.902 11.522 1.00 0.00 C ATOM 1113 O TYR A 91 -5.919 4.100 11.535 1.00 0.00 O ATOM 1114 CB TYR A 91 -5.904 1.581 9.419 1.00 0.00 C ATOM 1115 CG TYR A 91 -6.331 0.243 8.858 1.00 0.00 C ATOM 1116 CD1 TYR A 91 -7.594 -0.275 9.122 1.00 0.00 C ATOM 1117 CD2 TYR A 91 -5.472 -0.500 8.061 1.00 0.00 C ATOM 1118 CE1 TYR A 91 -7.986 -1.497 8.608 1.00 0.00 C ATOM 1119 CE2 TYR A 91 -5.856 -1.721 7.544 1.00 0.00 C ATOM 1120 CZ TYR A 91 -7.113 -2.215 7.820 1.00 0.00 C ATOM 1121 OH TYR A 91 -7.497 -3.432 7.306 1.00 0.00 O ATOM 0 H TYR A 91 -8.012 2.994 9.805 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.566 0.985 11.378 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.182 2.365 8.715 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.817 1.599 9.504 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -8.280 0.287 9.739 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.486 -0.117 7.841 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.970 -1.886 8.823 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -5.175 -2.287 6.926 1.00 0.00 H new ATOM 0 HH TYR A 91 -7.844 -3.309 6.398 1.00 0.00 H new ATOM 1131 N LYS A 92 -4.568 2.403 12.131 1.00 0.00 N ATOM 1132 CA LYS A 92 -3.641 3.250 12.867 1.00 0.00 C ATOM 1133 C LYS A 92 -2.209 3.003 12.411 1.00 0.00 C ATOM 1134 O LYS A 92 -1.870 1.906 11.966 1.00 0.00 O ATOM 1135 CB LYS A 92 -3.762 2.991 14.370 1.00 0.00 C ATOM 1136 CG LYS A 92 -3.123 4.071 15.227 1.00 0.00 C ATOM 1137 CD LYS A 92 -3.912 5.370 15.167 1.00 0.00 C ATOM 1138 CE LYS A 92 -3.187 6.427 14.348 1.00 0.00 C ATOM 1139 NZ LYS A 92 -3.364 7.790 14.919 1.00 0.00 N ATOM 0 H LYS A 92 -4.322 1.413 12.129 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.896 4.290 12.665 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.817 2.908 14.632 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.299 2.032 14.603 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.062 3.729 16.260 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.102 4.248 14.889 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -4.893 5.181 14.731 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -4.078 5.743 16.178 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -2.125 6.187 14.304 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -3.560 6.411 13.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -2.855 8.481 14.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.376 8.030 14.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.985 7.813 15.887 1.00 0.00 H new ATOM 1153 N TYR A 93 -1.372 4.028 12.525 1.00 0.00 N ATOM 1154 CA TYR A 93 0.029 3.926 12.127 1.00 0.00 C ATOM 1155 C TYR A 93 0.678 2.701 12.770 1.00 0.00 C ATOM 1156 O TYR A 93 1.140 2.758 13.910 1.00 0.00 O ATOM 1157 CB TYR A 93 0.776 5.202 12.532 1.00 0.00 C ATOM 1158 CG TYR A 93 1.933 5.572 11.625 1.00 0.00 C ATOM 1159 CD1 TYR A 93 1.913 5.271 10.267 1.00 0.00 C ATOM 1160 CD2 TYR A 93 3.046 6.233 12.132 1.00 0.00 C ATOM 1161 CE1 TYR A 93 2.969 5.617 9.444 1.00 0.00 C ATOM 1162 CE2 TYR A 93 4.104 6.583 11.315 1.00 0.00 C ATOM 1163 CZ TYR A 93 4.061 6.272 9.972 1.00 0.00 C ATOM 1164 OH TYR A 93 5.113 6.618 9.156 1.00 0.00 O ATOM 0 H TYR A 93 -1.639 4.942 12.891 1.00 0.00 H new ATOM 0 HA TYR A 93 0.083 3.812 11.044 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.068 6.031 12.552 1.00 0.00 H new ATOM 0 HB3 TYR A 93 1.153 5.080 13.548 1.00 0.00 H new ATOM 0 HD1 TYR A 93 1.059 4.759 9.849 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.084 6.477 13.183 1.00 0.00 H new ATOM 0 HE1 TYR A 93 2.938 5.375 8.392 1.00 0.00 H new ATOM 0 HE2 TYR A 93 4.960 7.097 11.726 1.00 0.00 H new ATOM 0 HH TYR A 93 5.801 7.074 9.685 1.00 0.00 H new ATOM 1174 N HIS A 94 0.698 1.590 12.036 1.00 0.00 N ATOM 1175 CA HIS A 94 1.276 0.347 12.542 1.00 0.00 C ATOM 1176 C HIS A 94 2.518 -0.052 11.750 1.00 0.00 C ATOM 1177 O HIS A 94 2.827 0.544 10.719 1.00 0.00 O ATOM 1178 CB HIS A 94 0.242 -0.778 12.487 1.00 0.00 C ATOM 1179 CG HIS A 94 0.471 -1.852 13.506 1.00 0.00 C ATOM 1180 ND1 HIS A 94 0.913 -1.592 14.787 1.00 0.00 N ATOM 1181 CD2 HIS A 94 0.315 -3.195 13.429 1.00 0.00 C ATOM 1182 CE1 HIS A 94 1.020 -2.729 15.453 1.00 0.00 C ATOM 1183 NE2 HIS A 94 0.662 -3.715 14.652 1.00 0.00 N ATOM 0 H HIS A 94 0.321 1.525 11.090 1.00 0.00 H new ATOM 0 HA HIS A 94 1.572 0.515 13.577 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -0.752 -0.355 12.634 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.254 -1.224 11.492 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -0.020 -3.753 12.567 1.00 0.00 H new ATOM 0 HE1 HIS A 94 1.345 -2.833 16.478 1.00 0.00 H new ATOM 0 HE2 HIS A 94 0.646 -4.704 14.901 1.00 0.00 H new ATOM 1192 N GLY A 95 3.226 -1.066 12.248 1.00 0.00 N ATOM 1193 CA GLY A 95 4.435 -1.540 11.591 1.00 0.00 C ATOM 1194 C GLY A 95 4.304 -1.617 10.081 1.00 0.00 C ATOM 1195 O GLY A 95 5.175 -1.141 9.353 1.00 0.00 O ATOM 0 H GLY A 95 2.981 -1.570 13.100 1.00 0.00 H new ATOM 0 HA2 GLY A 95 5.262 -0.877 11.844 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.688 -2.527 11.978 1.00 0.00 H new ATOM 1199 N ARG A 96 3.215 -2.213 9.610 1.00 0.00 N ATOM 1200 CA ARG A 96 2.978 -2.344 8.177 1.00 0.00 C ATOM 1201 C ARG A 96 2.987 -0.973 7.506 1.00 0.00 C ATOM 1202 O ARG A 96 3.899 -0.654 6.742 1.00 0.00 O ATOM 1203 CB ARG A 96 1.647 -3.050 7.923 1.00 0.00 C ATOM 1204 CG ARG A 96 1.496 -4.358 8.686 1.00 0.00 C ATOM 1205 CD ARG A 96 1.209 -5.521 7.749 1.00 0.00 C ATOM 1206 NE ARG A 96 1.330 -6.812 8.422 1.00 0.00 N ATOM 1207 CZ ARG A 96 0.464 -7.262 9.328 1.00 0.00 C ATOM 1208 NH1 ARG A 96 -0.588 -6.530 9.671 1.00 0.00 N ATOM 1209 NH2 ARG A 96 0.649 -8.449 9.890 1.00 0.00 N ATOM 0 H ARG A 96 2.483 -2.613 10.198 1.00 0.00 H new ATOM 0 HA ARG A 96 3.780 -2.944 7.747 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.832 -2.381 8.200 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.548 -3.248 6.856 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.408 -4.559 9.249 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.688 -4.266 9.411 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.203 -5.418 7.342 1.00 0.00 H new ATOM 0 HD3 ARG A 96 1.899 -5.486 6.906 1.00 0.00 H new ATOM 0 HE ARG A 96 2.126 -7.404 8.184 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -0.737 -5.618 9.240 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.248 -6.880 10.366 1.00 0.00 H new ATOM 0 HH21 ARG A 96 1.455 -9.017 9.628 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -0.014 -8.794 10.584 1.00 0.00 H new ATOM 1223 N VAL A 97 1.970 -0.164 7.806 1.00 0.00 N ATOM 1224 CA VAL A 97 1.851 1.183 7.249 1.00 0.00 C ATOM 1225 C VAL A 97 3.201 1.867 7.151 1.00 0.00 C ATOM 1226 O VAL A 97 3.483 2.562 6.188 1.00 0.00 O ATOM 1227 CB VAL A 97 0.936 2.067 8.113 1.00 0.00 C ATOM 1228 CG1 VAL A 97 0.726 3.427 7.463 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -0.385 1.371 8.360 1.00 0.00 C ATOM 0 H VAL A 97 1.211 -0.422 8.437 1.00 0.00 H new ATOM 0 HA VAL A 97 1.424 1.064 6.253 1.00 0.00 H new ATOM 0 HB VAL A 97 1.421 2.231 9.075 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.076 4.035 8.092 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.688 3.927 7.346 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.264 3.295 6.485 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.023 2.008 8.973 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.877 1.175 7.407 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.208 0.428 8.878 1.00 0.00 H new ATOM 1239 N LYS A 98 4.029 1.676 8.161 1.00 0.00 N ATOM 1240 CA LYS A 98 5.343 2.289 8.180 1.00 0.00 C ATOM 1241 C LYS A 98 6.181 1.831 6.991 1.00 0.00 C ATOM 1242 O LYS A 98 6.340 2.560 6.012 1.00 0.00 O ATOM 1243 CB LYS A 98 6.054 1.966 9.490 1.00 0.00 C ATOM 1244 CG LYS A 98 6.384 3.201 10.304 1.00 0.00 C ATOM 1245 CD LYS A 98 5.745 3.159 11.676 1.00 0.00 C ATOM 1246 CE LYS A 98 4.234 3.176 11.569 1.00 0.00 C ATOM 1247 NZ LYS A 98 3.579 2.940 12.886 1.00 0.00 N ATOM 0 H LYS A 98 3.815 1.103 8.977 1.00 0.00 H new ATOM 0 HA LYS A 98 5.216 3.369 8.104 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.425 1.303 10.084 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.974 1.424 9.274 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.465 3.288 10.409 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.043 4.089 9.771 1.00 0.00 H new ATOM 0 HD2 LYS A 98 6.066 2.261 12.204 1.00 0.00 H new ATOM 0 HD3 LYS A 98 6.082 4.012 12.265 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.910 4.137 11.170 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.912 2.412 10.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.185 1.978 12.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.280 3.046 13.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.814 3.631 13.022 1.00 0.00 H new ATOM 1261 N ALA A 99 6.718 0.621 7.088 1.00 0.00 N ATOM 1262 CA ALA A 99 7.549 0.063 6.029 1.00 0.00 C ATOM 1263 C ALA A 99 6.815 0.025 4.691 1.00 0.00 C ATOM 1264 O ALA A 99 7.424 0.205 3.639 1.00 0.00 O ATOM 1265 CB ALA A 99 8.016 -1.334 6.410 1.00 0.00 C ATOM 0 H ALA A 99 6.592 0.006 7.892 1.00 0.00 H new ATOM 0 HA ALA A 99 8.415 0.715 5.912 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.636 -1.741 5.611 1.00 0.00 H new ATOM 0 HB2 ALA A 99 8.597 -1.285 7.331 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.150 -1.979 6.561 1.00 0.00 H new ATOM 1271 N LEU A 100 5.508 -0.207 4.731 1.00 0.00 N ATOM 1272 CA LEU A 100 4.714 -0.270 3.522 1.00 0.00 C ATOM 1273 C LEU A 100 4.581 1.100 2.889 1.00 0.00 C ATOM 1274 O LEU A 100 4.770 1.267 1.685 1.00 0.00 O ATOM 1275 CB LEU A 100 3.325 -0.822 3.841 1.00 0.00 C ATOM 1276 CG LEU A 100 2.291 -0.603 2.742 1.00 0.00 C ATOM 1277 CD1 LEU A 100 1.367 -1.803 2.631 1.00 0.00 C ATOM 1278 CD2 LEU A 100 1.493 0.674 2.992 1.00 0.00 C ATOM 0 H LEU A 100 4.980 -0.354 5.591 1.00 0.00 H new ATOM 0 HA LEU A 100 5.219 -0.931 2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.409 -1.891 4.036 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.965 -0.358 4.759 1.00 0.00 H new ATOM 0 HG LEU A 100 2.820 -0.490 1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.636 -1.628 1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.952 -2.692 2.393 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.849 -1.952 3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.762 0.808 2.195 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.976 0.599 3.949 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.170 1.528 3.011 1.00 0.00 H new ATOM 1290 N ALA A 101 4.232 2.071 3.711 1.00 0.00 N ATOM 1291 CA ALA A 101 4.045 3.429 3.238 1.00 0.00 C ATOM 1292 C ALA A 101 5.330 3.985 2.643 1.00 0.00 C ATOM 1293 O ALA A 101 5.278 4.801 1.726 1.00 0.00 O ATOM 1294 CB ALA A 101 3.504 4.309 4.344 1.00 0.00 C ATOM 0 H ALA A 101 4.072 1.944 4.710 1.00 0.00 H new ATOM 0 HA ALA A 101 3.305 3.416 2.438 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.371 5.324 3.969 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.545 3.918 4.683 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.207 4.319 5.177 1.00 0.00 H new ATOM 1300 N GLU A 102 6.487 3.515 3.117 1.00 0.00 N ATOM 1301 CA GLU A 102 7.742 3.975 2.532 1.00 0.00 C ATOM 1302 C GLU A 102 7.855 3.360 1.155 1.00 0.00 C ATOM 1303 O GLU A 102 8.121 4.051 0.191 1.00 0.00 O ATOM 1304 CB GLU A 102 8.989 3.639 3.366 1.00 0.00 C ATOM 1305 CG GLU A 102 8.705 2.975 4.706 1.00 0.00 C ATOM 1306 CD GLU A 102 9.972 2.628 5.464 1.00 0.00 C ATOM 1307 OE1 GLU A 102 10.498 3.510 6.174 1.00 0.00 O ATOM 1308 OE2 GLU A 102 10.437 1.476 5.347 1.00 0.00 O ATOM 0 H GLU A 102 6.579 2.841 3.877 1.00 0.00 H new ATOM 0 HA GLU A 102 7.712 5.064 2.494 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.633 2.982 2.781 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.548 4.558 3.544 1.00 0.00 H new ATOM 0 HG2 GLU A 102 8.092 3.640 5.315 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.124 2.068 4.542 1.00 0.00 H new ATOM 1315 N GLY A 103 7.586 2.059 1.059 1.00 0.00 N ATOM 1316 CA GLY A 103 7.609 1.396 -0.234 1.00 0.00 C ATOM 1317 C GLY A 103 6.836 2.198 -1.250 1.00 0.00 C ATOM 1318 O GLY A 103 7.335 2.568 -2.311 1.00 0.00 O ATOM 0 H GLY A 103 7.354 1.456 1.848 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.639 1.271 -0.567 1.00 0.00 H new ATOM 0 HA3 GLY A 103 7.179 0.398 -0.146 1.00 0.00 H new ATOM 1322 N ALA A 104 5.581 2.439 -0.888 1.00 0.00 N ATOM 1323 CA ALA A 104 4.652 3.179 -1.716 1.00 0.00 C ATOM 1324 C ALA A 104 5.109 4.620 -1.900 1.00 0.00 C ATOM 1325 O ALA A 104 4.921 5.214 -2.959 1.00 0.00 O ATOM 1326 CB ALA A 104 3.267 3.131 -1.101 1.00 0.00 C ATOM 0 H ALA A 104 5.182 2.122 -0.004 1.00 0.00 H new ATOM 0 HA ALA A 104 4.620 2.715 -2.702 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.571 3.689 -1.727 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.937 2.095 -1.027 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.295 3.575 -0.106 1.00 0.00 H new ATOM 1332 N ARG A 105 5.726 5.178 -0.864 1.00 0.00 N ATOM 1333 CA ARG A 105 6.223 6.550 -0.916 1.00 0.00 C ATOM 1334 C ARG A 105 7.635 6.596 -1.493 1.00 0.00 C ATOM 1335 O ARG A 105 8.067 7.613 -2.034 1.00 0.00 O ATOM 1336 CB ARG A 105 6.210 7.178 0.479 1.00 0.00 C ATOM 1337 CG ARG A 105 4.813 7.406 1.033 1.00 0.00 C ATOM 1338 CD ARG A 105 4.416 8.872 0.960 1.00 0.00 C ATOM 1339 NE ARG A 105 5.421 9.743 1.567 1.00 0.00 N ATOM 1340 CZ ARG A 105 5.448 11.065 1.411 1.00 0.00 C ATOM 1341 NH1 ARG A 105 4.530 11.672 0.669 1.00 0.00 N ATOM 1342 NH2 ARG A 105 6.396 11.781 1.999 1.00 0.00 N ATOM 0 H ARG A 105 5.894 4.702 0.022 1.00 0.00 H new ATOM 0 HA ARG A 105 5.563 7.122 -1.568 1.00 0.00 H new ATOM 0 HB2 ARG A 105 6.762 6.533 1.163 1.00 0.00 H new ATOM 0 HB3 ARG A 105 6.737 8.131 0.444 1.00 0.00 H new ATOM 0 HG2 ARG A 105 4.096 6.806 0.473 1.00 0.00 H new ATOM 0 HG3 ARG A 105 4.772 7.068 2.068 1.00 0.00 H new ATOM 0 HD2 ARG A 105 4.271 9.157 -0.082 1.00 0.00 H new ATOM 0 HD3 ARG A 105 3.461 9.014 1.465 1.00 0.00 H new ATOM 0 HE ARG A 105 6.144 9.313 2.144 1.00 0.00 H new ATOM 0 HH11 ARG A 105 3.799 11.125 0.215 1.00 0.00 H new ATOM 0 HH12 ARG A 105 4.556 12.685 0.553 1.00 0.00 H new ATOM 0 HH21 ARG A 105 7.104 11.319 2.570 1.00 0.00 H new ATOM 0 HH22 ARG A 105 6.418 12.794 1.880 1.00 0.00 H new ATOM 1356 N GLU A 106 8.343 5.481 -1.372 1.00 0.00 N ATOM 1357 CA GLU A 106 9.699 5.362 -1.870 1.00 0.00 C ATOM 1358 C GLU A 106 9.657 4.995 -3.352 1.00 0.00 C ATOM 1359 O GLU A 106 10.514 5.404 -4.135 1.00 0.00 O ATOM 1360 CB GLU A 106 10.454 4.289 -1.060 1.00 0.00 C ATOM 1361 CG GLU A 106 10.376 2.888 -1.649 1.00 0.00 C ATOM 1362 CD GLU A 106 11.247 1.894 -0.909 1.00 0.00 C ATOM 1363 OE1 GLU A 106 11.891 2.292 0.085 1.00 0.00 O ATOM 1364 OE2 GLU A 106 11.286 0.717 -1.324 1.00 0.00 O ATOM 0 H GLU A 106 7.989 4.635 -0.925 1.00 0.00 H new ATOM 0 HA GLU A 106 10.225 6.310 -1.757 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.502 4.580 -0.982 1.00 0.00 H new ATOM 0 HB3 GLU A 106 10.053 4.267 -0.047 1.00 0.00 H new ATOM 0 HG2 GLU A 106 9.341 2.546 -1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 106 10.678 2.921 -2.696 1.00 0.00 H new ATOM 1371 N GLY A 107 8.637 4.218 -3.719 1.00 0.00 N ATOM 1372 CA GLY A 107 8.471 3.798 -5.096 1.00 0.00 C ATOM 1373 C GLY A 107 8.050 4.950 -5.999 1.00 0.00 C ATOM 1374 O GLY A 107 8.623 5.135 -7.073 1.00 0.00 O ATOM 0 H GLY A 107 7.921 3.872 -3.080 1.00 0.00 H new ATOM 0 HA2 GLY A 107 9.407 3.375 -5.461 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.723 3.007 -5.146 1.00 0.00 H new ATOM 1378 N GLY A 108 7.060 5.742 -5.565 1.00 0.00 N ATOM 1379 CA GLY A 108 6.623 6.874 -6.374 1.00 0.00 C ATOM 1380 C GLY A 108 5.426 7.633 -5.810 1.00 0.00 C ATOM 1381 O GLY A 108 5.267 8.824 -6.079 1.00 0.00 O ATOM 0 H GLY A 108 6.562 5.621 -4.683 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.457 7.567 -6.485 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.372 6.515 -7.372 1.00 0.00 H new ATOM 1385 N LEU A 109 4.566 6.948 -5.063 1.00 0.00 N ATOM 1386 CA LEU A 109 3.368 7.565 -4.509 1.00 0.00 C ATOM 1387 C LEU A 109 3.670 8.547 -3.385 1.00 0.00 C ATOM 1388 O LEU A 109 4.605 8.370 -2.611 1.00 0.00 O ATOM 1389 CB LEU A 109 2.426 6.475 -4.008 1.00 0.00 C ATOM 1390 CG LEU A 109 1.724 5.714 -5.121 1.00 0.00 C ATOM 1391 CD1 LEU A 109 2.740 5.102 -6.064 1.00 0.00 C ATOM 1392 CD2 LEU A 109 0.796 4.652 -4.549 1.00 0.00 C ATOM 0 H LEU A 109 4.678 5.962 -4.827 1.00 0.00 H new ATOM 0 HA LEU A 109 2.899 8.139 -5.308 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.992 5.770 -3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.675 6.926 -3.359 1.00 0.00 H new ATOM 0 HG LEU A 109 1.113 6.416 -5.689 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.222 4.560 -6.855 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.350 5.891 -6.504 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.380 4.414 -5.512 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.305 4.121 -5.364 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.374 3.947 -3.952 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.043 5.127 -3.920 1.00 0.00 H new ATOM 1404 N GLU A 110 2.848 9.586 -3.313 1.00 0.00 N ATOM 1405 CA GLU A 110 2.984 10.618 -2.293 1.00 0.00 C ATOM 1406 C GLU A 110 1.657 10.826 -1.567 1.00 0.00 C ATOM 1407 O GLU A 110 0.800 11.581 -2.025 1.00 0.00 O ATOM 1408 CB GLU A 110 3.454 11.930 -2.921 1.00 0.00 C ATOM 1409 CG GLU A 110 4.967 12.075 -2.961 1.00 0.00 C ATOM 1410 CD GLU A 110 5.536 11.873 -4.352 1.00 0.00 C ATOM 1411 OE1 GLU A 110 4.862 12.258 -5.331 1.00 0.00 O ATOM 1412 OE2 GLU A 110 6.655 11.329 -4.462 1.00 0.00 O ATOM 0 H GLU A 110 2.071 9.737 -3.957 1.00 0.00 H new ATOM 0 HA GLU A 110 3.731 10.292 -1.569 1.00 0.00 H new ATOM 0 HB2 GLU A 110 3.063 11.998 -3.936 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.032 12.764 -2.360 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.243 13.066 -2.600 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.416 11.351 -2.280 1.00 0.00 H new ATOM 1419 N PHE A 111 1.489 10.145 -0.441 1.00 0.00 N ATOM 1420 CA PHE A 111 0.259 10.247 0.339 1.00 0.00 C ATOM 1421 C PHE A 111 0.566 10.548 1.802 1.00 0.00 C ATOM 1422 O PHE A 111 0.358 11.706 2.224 1.00 0.00 O ATOM 1423 CB PHE A 111 -0.534 8.944 0.227 1.00 0.00 C ATOM 1424 CG PHE A 111 0.325 7.725 0.367 1.00 0.00 C ATOM 1425 CD1 PHE A 111 1.111 7.299 -0.687 1.00 0.00 C ATOM 1426 CD2 PHE A 111 0.362 7.019 1.556 1.00 0.00 C ATOM 1427 CE1 PHE A 111 1.920 6.189 -0.560 1.00 0.00 C ATOM 1428 CE2 PHE A 111 1.164 5.905 1.690 1.00 0.00 C ATOM 1429 CZ PHE A 111 1.946 5.490 0.632 1.00 0.00 C ATOM 1430 OXT PHE A 111 1.011 9.624 2.515 1.00 0.00 O ATOM 0 H PHE A 111 2.188 9.516 -0.046 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.336 11.068 -0.060 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.307 8.928 0.995 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.042 8.916 -0.737 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.092 7.841 -1.621 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -0.244 7.344 2.389 1.00 0.00 H new ATOM 0 HE1 PHE A 111 2.532 5.867 -1.390 1.00 0.00 H new ATOM 0 HE2 PHE A 111 1.180 5.359 2.621 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.578 4.620 0.735 1.00 0.00 H new