USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 576 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 THR OG1 : rot -78:sc= 0.85 USER MOD Set 1.2: A 59 ASN : amide:sc= 0.747 K(o=1.6,f=0.017) USER MOD Set 2.1: A 34 TYR OH : rot -32:sc= 0.639 USER MOD Set 2.2: A 49 SER OG : rot -172:sc= 0.583 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.0711 K(o=-0.071,f=-3.8!) USER MOD Single : A 23 TYR OH : rot 0:sc= 0.162 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 90:sc= 0.00274 USER MOD Single : A 48 GLN : amide:sc= 0.814 K(o=0.81,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 130:sc= 0.303 USER MOD Single : A 66 ASN : amide:sc= 0.771 K(o=0.77,f=-4.9!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 73 SER OG : rot 90:sc= 0.349 USER MOD Single : A 84 LYS NZ :NH3+ 177:sc= 0.919 (180deg=0.913) USER MOD Single : A 85 SER OG : rot -98:sc= 1.26 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 16 0.023 1.993 -0.049 1.00 0.00 N ATOM 2 CA PHE A 16 -0.622 0.860 0.605 1.00 0.00 C ATOM 3 C PHE A 16 -0.029 0.610 1.985 1.00 0.00 C ATOM 4 O PHE A 16 -0.700 0.085 2.874 1.00 0.00 O ATOM 5 CB PHE A 16 -0.496 -0.397 -0.258 1.00 0.00 C ATOM 6 CG PHE A 16 0.883 -0.992 -0.263 1.00 0.00 C ATOM 7 CD1 PHE A 16 1.832 -0.571 -1.182 1.00 0.00 C ATOM 8 CD2 PHE A 16 1.233 -1.976 0.650 1.00 0.00 C ATOM 9 CE1 PHE A 16 3.101 -1.118 -1.188 1.00 0.00 C ATOM 10 CE2 PHE A 16 2.502 -2.524 0.646 1.00 0.00 C ATOM 11 CZ PHE A 16 3.435 -2.096 -0.273 1.00 0.00 C ATOM 0 HA PHE A 16 -1.678 1.101 0.728 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.203 -1.145 0.100 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.781 -0.154 -1.282 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.577 0.193 -1.901 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.506 -2.318 1.372 1.00 0.00 H new ATOM 0 HE1 PHE A 16 3.831 -0.780 -1.908 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.762 -3.288 1.364 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.426 -2.525 -0.277 1.00 0.00 H new ATOM 21 N LYS A 17 1.233 0.988 2.159 1.00 0.00 N ATOM 22 CA LYS A 17 1.927 0.784 3.425 1.00 0.00 C ATOM 23 C LYS A 17 1.212 1.497 4.566 1.00 0.00 C ATOM 24 O LYS A 17 0.816 2.654 4.436 1.00 0.00 O ATOM 25 CB LYS A 17 3.375 1.269 3.327 1.00 0.00 C ATOM 26 CG LYS A 17 4.244 0.464 2.370 1.00 0.00 C ATOM 27 CD LYS A 17 5.667 1.000 2.331 1.00 0.00 C ATOM 28 CE LYS A 17 6.522 0.232 1.334 1.00 0.00 C ATOM 29 NZ LYS A 17 7.909 0.765 1.264 1.00 0.00 N ATOM 0 H LYS A 17 1.797 1.438 1.438 1.00 0.00 H new ATOM 0 HA LYS A 17 1.926 -0.285 3.637 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.376 2.312 3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.824 1.238 4.320 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.255 -0.582 2.678 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.813 0.497 1.369 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.652 2.056 2.062 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.111 0.930 3.324 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.552 -0.820 1.617 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.063 0.284 0.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.458 0.214 0.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.883 1.762 0.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.357 0.692 2.200 1.00 0.00 H new ATOM 43 N SER A 18 1.052 0.798 5.684 1.00 0.00 N ATOM 44 CA SER A 18 0.315 1.334 6.823 1.00 0.00 C ATOM 45 C SER A 18 -1.186 1.315 6.565 1.00 0.00 C ATOM 46 O SER A 18 -1.923 0.549 7.185 1.00 0.00 O ATOM 47 CB SER A 18 0.781 2.743 7.130 1.00 0.00 C ATOM 48 OG SER A 18 0.316 3.193 8.373 1.00 0.00 O ATOM 0 H SER A 18 1.423 -0.142 5.826 1.00 0.00 H new ATOM 0 HA SER A 18 0.514 0.699 7.686 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.870 2.775 7.118 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.434 3.418 6.348 1.00 0.00 H new ATOM 0 HG SER A 18 0.640 4.104 8.533 1.00 0.00 H new ATOM 54 N ARG A 19 -1.633 2.165 5.648 1.00 0.00 N ATOM 55 CA ARG A 19 -3.059 2.318 5.374 1.00 0.00 C ATOM 56 C ARG A 19 -3.689 0.988 4.981 1.00 0.00 C ATOM 57 O ARG A 19 -4.466 0.409 5.740 1.00 0.00 O ATOM 58 CB ARG A 19 -3.331 3.393 4.333 1.00 0.00 C ATOM 59 CG ARG A 19 -4.801 3.616 4.014 1.00 0.00 C ATOM 60 CD ARG A 19 -5.585 4.211 5.126 1.00 0.00 C ATOM 61 NE ARG A 19 -5.214 5.574 5.464 1.00 0.00 N ATOM 62 CZ ARG A 19 -5.730 6.276 6.493 1.00 0.00 C ATOM 63 NH1 ARG A 19 -6.663 5.763 7.262 1.00 0.00 N ATOM 64 NH2 ARG A 19 -5.287 7.506 6.694 1.00 0.00 N ATOM 0 H ARG A 19 -1.029 2.760 5.081 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.530 2.650 6.299 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.903 4.333 4.682 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.810 3.128 3.413 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.877 4.267 3.143 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.250 2.662 3.739 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.642 4.191 4.860 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.468 3.586 6.011 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.513 6.033 4.882 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.008 4.820 7.085 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.042 6.308 8.036 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.574 7.898 6.079 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.658 8.062 7.464 1.00 0.00 H new ATOM 78 N LEU A 20 -3.351 0.508 3.789 1.00 0.00 N ATOM 79 CA LEU A 20 -3.993 -0.675 3.229 1.00 0.00 C ATOM 80 C LEU A 20 -3.493 -1.945 3.904 1.00 0.00 C ATOM 81 O LEU A 20 -4.216 -2.935 4.001 1.00 0.00 O ATOM 82 CB LEU A 20 -3.750 -0.744 1.716 1.00 0.00 C ATOM 83 CG LEU A 20 -4.467 0.332 0.891 1.00 0.00 C ATOM 84 CD1 LEU A 20 -4.138 0.162 -0.587 1.00 0.00 C ATOM 85 CD2 LEU A 20 -5.967 0.236 1.124 1.00 0.00 C ATOM 0 H LEU A 20 -2.635 0.921 3.191 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.065 -0.597 3.413 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.678 -0.666 1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.065 -1.724 1.358 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.126 1.319 1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.652 0.930 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.062 0.256 -0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.465 -0.823 -0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.476 1.001 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.320 -0.749 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.181 0.388 2.182 1.00 0.00 H new ATOM 97 N GLN A 21 -2.249 -1.910 4.372 1.00 0.00 N ATOM 98 CA GLN A 21 -1.705 -2.991 5.185 1.00 0.00 C ATOM 99 C GLN A 21 -2.559 -3.230 6.424 1.00 0.00 C ATOM 100 O GLN A 21 -2.908 -4.367 6.739 1.00 0.00 O ATOM 101 CB GLN A 21 -0.266 -2.676 5.603 1.00 0.00 C ATOM 102 CG GLN A 21 0.766 -2.930 4.518 1.00 0.00 C ATOM 103 CD GLN A 21 2.169 -2.557 4.957 1.00 0.00 C ATOM 104 OE1 GLN A 21 2.361 -1.913 5.991 1.00 0.00 O ATOM 105 NE2 GLN A 21 3.161 -2.957 4.168 1.00 0.00 N ATOM 0 H GLN A 21 -1.598 -1.143 4.201 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.712 -3.897 4.579 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -0.208 -1.631 5.907 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -0.013 -3.276 6.477 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.744 -3.983 4.238 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.502 -2.358 3.628 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.957 -3.488 3.321 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.126 -2.733 4.409 1.00 0.00 H new ATOM 114 N GLU A 22 -2.893 -2.150 7.124 1.00 0.00 N ATOM 115 CA GLU A 22 -3.711 -2.241 8.327 1.00 0.00 C ATOM 116 C GLU A 22 -5.104 -2.767 8.006 1.00 0.00 C ATOM 117 O GLU A 22 -5.642 -3.607 8.729 1.00 0.00 O ATOM 118 CB GLU A 22 -3.809 -0.876 9.011 1.00 0.00 C ATOM 119 CG GLU A 22 -4.631 -0.872 10.293 1.00 0.00 C ATOM 120 CD GLU A 22 -4.628 0.485 10.941 1.00 0.00 C ATOM 121 OE1 GLU A 22 -3.992 1.369 10.419 1.00 0.00 O ATOM 122 OE2 GLU A 22 -5.349 0.668 11.893 1.00 0.00 O ATOM 0 H GLU A 22 -2.609 -1.202 6.878 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.229 -2.944 9.007 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.803 -0.524 9.238 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.246 -0.163 8.312 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.656 -1.169 10.071 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.229 -1.610 10.987 1.00 0.00 H new ATOM 129 N TYR A 23 -5.685 -2.268 6.921 1.00 0.00 N ATOM 130 CA TYR A 23 -7.000 -2.718 6.480 1.00 0.00 C ATOM 131 C TYR A 23 -6.997 -4.208 6.164 1.00 0.00 C ATOM 132 O TYR A 23 -7.917 -4.934 6.535 1.00 0.00 O ATOM 133 CB TYR A 23 -7.454 -1.923 5.254 1.00 0.00 C ATOM 134 CG TYR A 23 -7.753 -0.468 5.543 1.00 0.00 C ATOM 135 CD1 TYR A 23 -7.861 -0.008 6.847 1.00 0.00 C ATOM 136 CD2 TYR A 23 -7.925 0.441 4.509 1.00 0.00 C ATOM 137 CE1 TYR A 23 -8.134 1.320 7.116 1.00 0.00 C ATOM 138 CE2 TYR A 23 -8.198 1.771 4.767 1.00 0.00 C ATOM 139 CZ TYR A 23 -8.302 2.206 6.072 1.00 0.00 C ATOM 140 OH TYR A 23 -8.572 3.529 6.334 1.00 0.00 O ATOM 0 H TYR A 23 -5.265 -1.551 6.330 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.701 -2.545 7.296 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.679 -1.980 4.489 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.346 -2.392 4.839 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.730 -0.699 7.666 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.844 0.104 3.486 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.215 1.662 8.137 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -8.329 2.466 3.951 1.00 0.00 H new ATOM 0 HH TYR A 23 -8.610 3.669 7.303 1.00 0.00 H new ATOM 150 N ALA A 24 -5.952 -4.659 5.475 1.00 0.00 N ATOM 151 CA ALA A 24 -5.786 -6.075 5.175 1.00 0.00 C ATOM 152 C ALA A 24 -5.824 -6.915 6.445 1.00 0.00 C ATOM 153 O ALA A 24 -6.531 -7.921 6.515 1.00 0.00 O ATOM 154 CB ALA A 24 -4.487 -6.310 4.421 1.00 0.00 C ATOM 0 H ALA A 24 -5.208 -4.062 5.114 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.618 -6.384 4.543 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.379 -7.373 4.205 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.502 -5.749 3.486 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.647 -5.976 5.030 1.00 0.00 H new ATOM 160 N GLN A 25 -5.059 -6.497 7.448 1.00 0.00 N ATOM 161 CA GLN A 25 -5.021 -7.197 8.727 1.00 0.00 C ATOM 162 C GLN A 25 -6.400 -7.242 9.373 1.00 0.00 C ATOM 163 O GLN A 25 -6.794 -8.254 9.951 1.00 0.00 O ATOM 164 CB GLN A 25 -4.027 -6.525 9.677 1.00 0.00 C ATOM 165 CG GLN A 25 -2.571 -6.712 9.287 1.00 0.00 C ATOM 166 CD GLN A 25 -1.627 -5.938 10.190 1.00 0.00 C ATOM 167 OE1 GLN A 25 -2.061 -5.184 11.064 1.00 0.00 O ATOM 168 NE2 GLN A 25 -0.328 -6.119 9.978 1.00 0.00 N ATOM 0 H GLN A 25 -4.456 -5.676 7.400 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.697 -8.220 8.534 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.246 -5.458 9.719 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.176 -6.921 10.681 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.320 -7.772 9.327 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.429 -6.389 8.256 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.015 -6.753 9.243 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.356 -5.624 10.550 1.00 0.00 H new ATOM 177 N LYS A 26 -7.131 -6.135 9.268 1.00 0.00 N ATOM 178 CA LYS A 26 -8.489 -6.063 9.797 1.00 0.00 C ATOM 179 C LYS A 26 -9.412 -7.038 9.079 1.00 0.00 C ATOM 180 O LYS A 26 -10.396 -7.511 9.649 1.00 0.00 O ATOM 181 CB LYS A 26 -9.033 -4.638 9.680 1.00 0.00 C ATOM 182 CG LYS A 26 -8.398 -3.641 10.642 1.00 0.00 C ATOM 183 CD LYS A 26 -8.954 -2.240 10.432 1.00 0.00 C ATOM 184 CE LYS A 26 -8.393 -1.263 11.455 1.00 0.00 C ATOM 185 NZ LYS A 26 -8.907 0.117 11.245 1.00 0.00 N ATOM 0 H LYS A 26 -6.806 -5.277 8.822 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.453 -6.343 10.850 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.881 -4.287 8.659 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.109 -4.657 9.854 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.580 -3.957 11.669 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.318 -3.631 10.498 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.710 -1.897 9.427 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.041 -2.263 10.506 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.654 -1.599 12.459 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.305 -1.258 11.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.501 0.752 11.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.636 0.448 10.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.944 0.118 11.329 1.00 0.00 H new ATOM 199 N TYR A 27 -9.092 -7.332 7.823 1.00 0.00 N ATOM 200 CA TYR A 27 -9.904 -8.237 7.018 1.00 0.00 C ATOM 201 C TYR A 27 -9.414 -9.674 7.139 1.00 0.00 C ATOM 202 O TYR A 27 -9.904 -10.568 6.450 1.00 0.00 O ATOM 203 CB TYR A 27 -9.895 -7.801 5.551 1.00 0.00 C ATOM 204 CG TYR A 27 -10.337 -6.371 5.333 1.00 0.00 C ATOM 205 CD1 TYR A 27 -11.093 -5.706 6.287 1.00 0.00 C ATOM 206 CD2 TYR A 27 -9.994 -5.690 4.174 1.00 0.00 C ATOM 207 CE1 TYR A 27 -11.501 -4.400 6.093 1.00 0.00 C ATOM 208 CE2 TYR A 27 -10.395 -4.383 3.970 1.00 0.00 C ATOM 209 CZ TYR A 27 -11.149 -3.742 4.932 1.00 0.00 C ATOM 210 OH TYR A 27 -11.549 -2.440 4.734 1.00 0.00 O ATOM 0 H TYR A 27 -8.276 -6.956 7.341 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.926 -8.193 7.396 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.888 -7.924 5.152 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -10.547 -8.463 4.982 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -11.368 -6.218 7.197 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.404 -6.189 3.419 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -12.091 -3.898 6.845 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.120 -3.866 3.063 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.217 -2.124 3.868 1.00 0.00 H new ATOM 220 N LYS A 28 -8.442 -9.889 8.019 1.00 0.00 N ATOM 221 CA LYS A 28 -7.809 -11.195 8.159 1.00 0.00 C ATOM 222 C LYS A 28 -7.148 -11.629 6.856 1.00 0.00 C ATOM 223 O LYS A 28 -7.016 -12.822 6.584 1.00 0.00 O ATOM 224 CB LYS A 28 -8.834 -12.241 8.602 1.00 0.00 C ATOM 225 CG LYS A 28 -9.527 -11.924 9.921 1.00 0.00 C ATOM 226 CD LYS A 28 -10.464 -13.048 10.337 1.00 0.00 C ATOM 227 CE LYS A 28 -11.239 -12.685 11.597 1.00 0.00 C ATOM 228 NZ LYS A 28 -12.161 -13.774 12.015 1.00 0.00 N ATOM 0 H LYS A 28 -8.075 -9.174 8.647 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.035 -11.111 8.922 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.590 -12.343 7.824 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.335 -13.206 8.690 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.779 -11.765 10.698 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.090 -10.995 9.825 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.162 -13.261 9.527 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.889 -13.958 10.510 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.539 -12.472 12.405 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.810 -11.773 11.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.669 -13.487 12.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.846 -13.960 11.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.614 -14.637 12.207 1.00 0.00 H new ATOM 242 N LEU A 29 -6.734 -10.653 6.056 1.00 0.00 N ATOM 243 CA LEU A 29 -6.051 -10.933 4.798 1.00 0.00 C ATOM 244 C LEU A 29 -4.567 -10.598 4.893 1.00 0.00 C ATOM 245 O LEU A 29 -4.146 -9.840 5.765 1.00 0.00 O ATOM 246 CB LEU A 29 -6.703 -10.146 3.655 1.00 0.00 C ATOM 247 CG LEU A 29 -8.201 -10.408 3.453 1.00 0.00 C ATOM 248 CD1 LEU A 29 -8.746 -9.507 2.354 1.00 0.00 C ATOM 249 CD2 LEU A 29 -8.419 -11.873 3.106 1.00 0.00 C ATOM 0 H LEU A 29 -6.859 -9.661 6.256 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.143 -11.999 4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.558 -9.082 3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.181 -10.383 2.728 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.736 -10.182 4.375 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.810 -9.701 2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.600 -8.464 2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.219 -9.710 1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -9.483 -12.058 2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.882 -12.113 2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.048 -12.498 3.918 1.00 0.00 H new ATOM 261 N PRO A 30 -3.780 -11.170 3.988 1.00 0.00 N ATOM 262 CA PRO A 30 -2.357 -10.859 3.905 1.00 0.00 C ATOM 263 C PRO A 30 -2.131 -9.442 3.397 1.00 0.00 C ATOM 264 O PRO A 30 -2.987 -8.870 2.722 1.00 0.00 O ATOM 265 CB PRO A 30 -1.798 -11.917 2.939 1.00 0.00 C ATOM 266 CG PRO A 30 -2.955 -12.284 2.052 1.00 0.00 C ATOM 267 CD PRO A 30 -4.160 -12.272 3.095 1.00 0.00 C ATOM 0 HA PRO A 30 -1.860 -10.891 4.875 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.966 -11.520 2.358 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.424 -12.786 3.479 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.101 -11.564 1.247 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.823 -13.261 1.587 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.119 -12.091 2.609 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.247 -13.218 3.629 1.00 0.00 H new ATOM 275 N THR A 31 -0.974 -8.878 3.725 1.00 0.00 N ATOM 276 CA THR A 31 -0.636 -7.522 3.311 1.00 0.00 C ATOM 277 C THR A 31 -0.411 -7.445 1.807 1.00 0.00 C ATOM 278 O THR A 31 0.017 -8.417 1.183 1.00 0.00 O ATOM 279 CB THR A 31 0.620 -7.005 4.035 1.00 0.00 C ATOM 280 OG1 THR A 31 1.720 -7.888 3.778 1.00 0.00 O ATOM 281 CG2 THR A 31 0.378 -6.926 5.534 1.00 0.00 C ATOM 0 H THR A 31 -0.253 -9.341 4.278 1.00 0.00 H new ATOM 0 HA THR A 31 -1.484 -6.892 3.581 1.00 0.00 H new ATOM 0 HB THR A 31 0.851 -6.007 3.662 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.520 -7.557 4.238 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.277 -6.559 6.029 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.450 -6.246 5.734 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.133 -7.917 5.916 1.00 0.00 H new ATOM 289 N PRO A 32 -0.701 -6.285 1.228 1.00 0.00 N ATOM 290 CA PRO A 32 -0.567 -6.092 -0.211 1.00 0.00 C ATOM 291 C PRO A 32 0.844 -6.418 -0.682 1.00 0.00 C ATOM 292 O PRO A 32 1.819 -6.171 0.030 1.00 0.00 O ATOM 293 CB PRO A 32 -0.921 -4.611 -0.426 1.00 0.00 C ATOM 294 CG PRO A 32 -1.663 -4.204 0.818 1.00 0.00 C ATOM 295 CD PRO A 32 -1.026 -5.035 1.927 1.00 0.00 C ATOM 0 HA PRO A 32 -1.215 -6.753 -0.787 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -0.024 -4.007 -0.566 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -1.538 -4.477 -1.315 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.559 -3.136 1.012 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.730 -4.410 0.730 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.138 -4.555 2.337 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.712 -5.199 2.758 1.00 0.00 H new ATOM 303 N VAL A 33 0.949 -6.973 -1.884 1.00 0.00 N ATOM 304 CA VAL A 33 2.242 -7.336 -2.450 1.00 0.00 C ATOM 305 C VAL A 33 2.722 -6.289 -3.448 1.00 0.00 C ATOM 306 O VAL A 33 2.049 -6.008 -4.440 1.00 0.00 O ATOM 307 CB VAL A 33 2.188 -8.708 -3.150 1.00 0.00 C ATOM 308 CG1 VAL A 33 3.539 -9.048 -3.761 1.00 0.00 C ATOM 309 CG2 VAL A 33 1.762 -9.789 -2.169 1.00 0.00 C ATOM 0 H VAL A 33 0.152 -7.182 -2.486 1.00 0.00 H new ATOM 0 HA VAL A 33 2.944 -7.389 -1.617 1.00 0.00 H new ATOM 0 HB VAL A 33 1.450 -8.657 -3.951 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.482 -10.020 -4.251 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.809 -8.287 -4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.295 -9.081 -2.977 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.729 -10.751 -2.680 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.478 -9.838 -1.348 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.773 -9.553 -1.775 1.00 0.00 H new ATOM 319 N TYR A 34 3.887 -5.712 -3.177 1.00 0.00 N ATOM 320 CA TYR A 34 4.432 -4.652 -4.019 1.00 0.00 C ATOM 321 C TYR A 34 5.433 -5.207 -5.023 1.00 0.00 C ATOM 322 O TYR A 34 6.382 -5.897 -4.653 1.00 0.00 O ATOM 323 CB TYR A 34 5.092 -3.572 -3.159 1.00 0.00 C ATOM 324 CG TYR A 34 5.684 -2.430 -3.956 1.00 0.00 C ATOM 325 CD1 TYR A 34 4.871 -1.449 -4.504 1.00 0.00 C ATOM 326 CD2 TYR A 34 7.052 -2.337 -4.157 1.00 0.00 C ATOM 327 CE1 TYR A 34 5.405 -0.404 -5.233 1.00 0.00 C ATOM 328 CE2 TYR A 34 7.598 -1.297 -4.884 1.00 0.00 C ATOM 329 CZ TYR A 34 6.771 -0.331 -5.421 1.00 0.00 C ATOM 330 OH TYR A 34 7.309 0.707 -6.145 1.00 0.00 O ATOM 0 H TYR A 34 4.473 -5.960 -2.380 1.00 0.00 H new ATOM 0 HA TYR A 34 3.606 -4.207 -4.573 1.00 0.00 H new ATOM 0 HB2 TYR A 34 4.353 -3.173 -2.464 1.00 0.00 H new ATOM 0 HB3 TYR A 34 5.879 -4.030 -2.559 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.802 -1.503 -4.358 1.00 0.00 H new ATOM 0 HD2 TYR A 34 7.702 -3.091 -3.738 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.758 0.351 -5.653 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.666 -1.240 -5.031 1.00 0.00 H new ATOM 0 HH TYR A 34 6.681 0.976 -6.847 1.00 0.00 H new ATOM 340 N GLU A 35 5.216 -4.899 -6.298 1.00 0.00 N ATOM 341 CA GLU A 35 6.151 -5.285 -7.349 1.00 0.00 C ATOM 342 C GLU A 35 6.589 -4.076 -8.166 1.00 0.00 C ATOM 343 O GLU A 35 5.842 -3.109 -8.312 1.00 0.00 O ATOM 344 CB GLU A 35 5.523 -6.338 -8.263 1.00 0.00 C ATOM 345 CG GLU A 35 5.196 -7.655 -7.574 1.00 0.00 C ATOM 346 CD GLU A 35 4.609 -8.647 -8.540 1.00 0.00 C ATOM 347 OE1 GLU A 35 4.431 -8.300 -9.683 1.00 0.00 O ATOM 348 OE2 GLU A 35 4.445 -9.784 -8.167 1.00 0.00 O ATOM 0 H GLU A 35 4.400 -4.383 -6.628 1.00 0.00 H new ATOM 0 HA GLU A 35 7.033 -5.712 -6.872 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.608 -5.930 -8.692 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.204 -6.535 -9.091 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.101 -8.069 -7.129 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.493 -7.477 -6.760 1.00 0.00 H new ATOM 355 N ILE A 36 7.805 -4.138 -8.697 1.00 0.00 N ATOM 356 CA ILE A 36 8.359 -3.035 -9.473 1.00 0.00 C ATOM 357 C ILE A 36 8.512 -3.415 -10.939 1.00 0.00 C ATOM 358 O ILE A 36 9.174 -4.399 -11.271 1.00 0.00 O ATOM 359 CB ILE A 36 9.727 -2.588 -8.923 1.00 0.00 C ATOM 360 CG1 ILE A 36 9.589 -2.109 -7.475 1.00 0.00 C ATOM 361 CG2 ILE A 36 10.319 -1.492 -9.796 1.00 0.00 C ATOM 362 CD1 ILE A 36 10.911 -1.848 -6.791 1.00 0.00 C ATOM 0 H ILE A 36 8.426 -4.941 -8.604 1.00 0.00 H new ATOM 0 HA ILE A 36 7.655 -2.207 -9.388 1.00 0.00 H new ATOM 0 HB ILE A 36 10.404 -3.442 -8.940 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.996 -1.195 -7.459 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.037 -2.857 -6.906 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.285 -1.188 -9.393 1.00 0.00 H new ATOM 0 HG22 ILE A 36 10.451 -1.867 -10.811 1.00 0.00 H new ATOM 0 HG23 ILE A 36 9.646 -0.635 -9.810 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.732 -1.512 -5.770 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.499 -2.766 -6.774 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.457 -1.078 -7.336 1.00 0.00 H new ATOM 374 N VAL A 37 7.896 -2.630 -11.817 1.00 0.00 N ATOM 375 CA VAL A 37 8.003 -2.852 -13.253 1.00 0.00 C ATOM 376 C VAL A 37 8.847 -1.772 -13.917 1.00 0.00 C ATOM 377 O VAL A 37 8.520 -0.587 -13.851 1.00 0.00 O ATOM 378 CB VAL A 37 6.618 -2.893 -13.925 1.00 0.00 C ATOM 379 CG1 VAL A 37 6.759 -3.092 -15.427 1.00 0.00 C ATOM 380 CG2 VAL A 37 5.765 -3.998 -13.321 1.00 0.00 C ATOM 0 H VAL A 37 7.316 -1.832 -11.557 1.00 0.00 H new ATOM 0 HA VAL A 37 8.488 -3.819 -13.384 1.00 0.00 H new ATOM 0 HB VAL A 37 6.122 -1.938 -13.748 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.770 -3.118 -15.885 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.333 -2.268 -15.851 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.275 -4.032 -15.623 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.790 -4.012 -13.808 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.258 -4.959 -13.467 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.635 -3.816 -12.254 1.00 0.00 H new ATOM 390 N LYS A 38 9.935 -2.187 -14.557 1.00 0.00 N ATOM 391 CA LYS A 38 10.807 -1.259 -15.267 1.00 0.00 C ATOM 392 C LYS A 38 10.976 -1.668 -16.725 1.00 0.00 C ATOM 393 O LYS A 38 11.490 -2.746 -17.022 1.00 0.00 O ATOM 394 CB LYS A 38 12.173 -1.178 -14.583 1.00 0.00 C ATOM 395 CG LYS A 38 13.138 -0.187 -15.220 1.00 0.00 C ATOM 396 CD LYS A 38 14.469 -0.158 -14.483 1.00 0.00 C ATOM 397 CE LYS A 38 15.429 0.841 -15.112 1.00 0.00 C ATOM 398 NZ LYS A 38 16.714 0.922 -14.367 1.00 0.00 N ATOM 0 H LYS A 38 10.234 -3.161 -14.598 1.00 0.00 H new ATOM 0 HA LYS A 38 10.338 -0.275 -15.241 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.027 -0.904 -13.538 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.629 -2.168 -14.592 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.303 -0.457 -16.263 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.695 0.809 -15.215 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.303 0.103 -13.438 1.00 0.00 H new ATOM 0 HD3 LYS A 38 14.916 -1.152 -14.496 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.626 0.554 -16.145 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.962 1.826 -15.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.340 1.613 -14.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.529 1.221 -13.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.173 -0.011 -14.363 1.00 0.00 H new ATOM 412 N GLU A 39 10.539 -0.800 -17.631 1.00 0.00 N ATOM 413 CA GLU A 39 10.566 -1.102 -19.058 1.00 0.00 C ATOM 414 C GLU A 39 11.311 -0.023 -19.834 1.00 0.00 C ATOM 415 O GLU A 39 11.349 1.137 -19.425 1.00 0.00 O ATOM 416 CB GLU A 39 9.143 -1.254 -19.600 1.00 0.00 C ATOM 417 CG GLU A 39 8.369 -2.427 -19.015 1.00 0.00 C ATOM 418 CD GLU A 39 6.996 -2.530 -19.619 1.00 0.00 C ATOM 419 OE1 GLU A 39 6.657 -1.694 -20.422 1.00 0.00 O ATOM 420 OE2 GLU A 39 6.328 -3.504 -19.363 1.00 0.00 O ATOM 0 H GLU A 39 10.161 0.120 -17.402 1.00 0.00 H new ATOM 0 HA GLU A 39 11.097 -2.045 -19.191 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.591 -0.335 -19.401 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.190 -1.369 -20.683 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.917 -3.352 -19.193 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.286 -2.308 -17.935 1.00 0.00 H new ATOM 427 N GLY A 40 11.902 -0.414 -20.958 1.00 0.00 N ATOM 428 CA GLY A 40 12.577 0.534 -21.837 1.00 0.00 C ATOM 429 C GLY A 40 14.073 0.578 -21.554 1.00 0.00 C ATOM 430 O GLY A 40 14.552 -0.031 -20.597 1.00 0.00 O ATOM 0 H GLY A 40 11.927 -1.381 -21.282 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.409 0.253 -22.877 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.149 1.527 -21.702 1.00 0.00 H new ATOM 434 N PRO A 41 14.808 1.303 -22.391 1.00 0.00 N ATOM 435 CA PRO A 41 16.249 1.439 -22.224 1.00 0.00 C ATOM 436 C PRO A 41 16.586 2.294 -21.009 1.00 0.00 C ATOM 437 O PRO A 41 15.780 3.117 -20.574 1.00 0.00 O ATOM 438 CB PRO A 41 16.720 2.088 -23.536 1.00 0.00 C ATOM 439 CG PRO A 41 15.539 2.881 -24.022 1.00 0.00 C ATOM 440 CD PRO A 41 14.338 1.886 -23.654 1.00 0.00 C ATOM 0 HA PRO A 41 16.744 0.485 -22.041 1.00 0.00 H new ATOM 0 HB2 PRO A 41 17.586 2.730 -23.371 1.00 0.00 H new ATOM 0 HB3 PRO A 41 17.017 1.334 -24.265 1.00 0.00 H new ATOM 0 HG2 PRO A 41 15.450 3.842 -23.515 1.00 0.00 H new ATOM 0 HG3 PRO A 41 15.592 3.088 -25.091 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.392 2.414 -23.534 1.00 0.00 H new ATOM 0 HD3 PRO A 41 14.185 1.128 -24.422 1.00 0.00 H new ATOM 448 N SER A 42 17.781 2.096 -20.463 1.00 0.00 N ATOM 449 CA SER A 42 18.220 2.836 -19.288 1.00 0.00 C ATOM 450 C SER A 42 18.305 4.329 -19.577 1.00 0.00 C ATOM 451 O SER A 42 18.337 5.148 -18.660 1.00 0.00 O ATOM 452 CB SER A 42 19.561 2.313 -18.812 1.00 0.00 C ATOM 453 OG SER A 42 20.583 2.567 -19.736 1.00 0.00 O ATOM 0 H SER A 42 18.464 1.427 -20.818 1.00 0.00 H new ATOM 0 HA SER A 42 17.482 2.689 -18.499 1.00 0.00 H new ATOM 0 HB2 SER A 42 19.812 2.776 -17.858 1.00 0.00 H new ATOM 0 HB3 SER A 42 19.490 1.240 -18.637 1.00 0.00 H new ATOM 0 HG SER A 42 21.431 2.216 -19.391 1.00 0.00 H new ATOM 459 N HIS A 43 18.340 4.677 -20.859 1.00 0.00 N ATOM 460 CA HIS A 43 18.417 6.073 -21.272 1.00 0.00 C ATOM 461 C HIS A 43 17.061 6.758 -21.153 1.00 0.00 C ATOM 462 O HIS A 43 16.983 7.979 -21.011 1.00 0.00 O ATOM 463 CB HIS A 43 18.935 6.184 -22.710 1.00 0.00 C ATOM 464 CG HIS A 43 20.351 5.724 -22.876 1.00 0.00 C ATOM 465 ND1 HIS A 43 21.423 6.418 -22.356 1.00 0.00 N ATOM 466 CD2 HIS A 43 20.869 4.643 -23.505 1.00 0.00 C ATOM 467 CE1 HIS A 43 22.542 5.781 -22.657 1.00 0.00 C ATOM 468 NE2 HIS A 43 22.233 4.702 -23.354 1.00 0.00 N ATOM 0 H HIS A 43 18.316 4.010 -21.631 1.00 0.00 H new ATOM 0 HA HIS A 43 19.116 6.577 -20.605 1.00 0.00 H new ATOM 0 HB2 HIS A 43 18.292 5.596 -23.365 1.00 0.00 H new ATOM 0 HB3 HIS A 43 18.859 7.221 -23.036 1.00 0.00 H new ATOM 0 HD2 HIS A 43 20.314 3.878 -24.027 1.00 0.00 H new ATOM 0 HE1 HIS A 43 23.539 6.090 -22.380 1.00 0.00 H new ATOM 0 HE2 HIS A 43 22.900 4.023 -23.721 1.00 0.00 H new ATOM 476 N LYS A 44 15.998 5.966 -21.213 1.00 0.00 N ATOM 477 CA LYS A 44 14.641 6.498 -21.133 1.00 0.00 C ATOM 478 C LYS A 44 13.667 5.447 -20.618 1.00 0.00 C ATOM 479 O LYS A 44 12.660 5.152 -21.262 1.00 0.00 O ATOM 480 CB LYS A 44 14.186 7.011 -22.501 1.00 0.00 C ATOM 481 CG LYS A 44 12.808 7.658 -22.504 1.00 0.00 C ATOM 482 CD LYS A 44 12.454 8.201 -23.880 1.00 0.00 C ATOM 483 CE LYS A 44 11.070 8.834 -23.888 1.00 0.00 C ATOM 484 NZ LYS A 44 10.711 9.370 -25.229 1.00 0.00 N ATOM 0 H LYS A 44 16.048 4.953 -21.317 1.00 0.00 H new ATOM 0 HA LYS A 44 14.650 7.329 -20.428 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.915 7.735 -22.864 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.185 6.179 -23.205 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.060 6.927 -22.196 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.782 8.467 -21.774 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.196 8.940 -24.183 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.491 7.394 -24.612 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.331 8.093 -23.584 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.035 9.639 -23.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.761 9.792 -25.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.402 10.095 -25.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.719 8.597 -25.925 1.00 0.00 H new ATOM 498 N SER A 45 13.972 4.885 -19.453 1.00 0.00 N ATOM 499 CA SER A 45 13.155 3.824 -18.877 1.00 0.00 C ATOM 500 C SER A 45 11.907 4.389 -18.212 1.00 0.00 C ATOM 501 O SER A 45 11.911 5.518 -17.719 1.00 0.00 O ATOM 502 CB SER A 45 13.968 3.022 -17.880 1.00 0.00 C ATOM 503 OG SER A 45 14.318 3.780 -16.755 1.00 0.00 O ATOM 0 H SER A 45 14.780 5.147 -18.889 1.00 0.00 H new ATOM 0 HA SER A 45 12.835 3.166 -19.685 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.396 2.149 -17.565 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.872 2.653 -18.364 1.00 0.00 H new ATOM 0 HG SER A 45 13.623 3.689 -16.070 1.00 0.00 H new ATOM 509 N LEU A 46 10.838 3.599 -18.199 1.00 0.00 N ATOM 510 CA LEU A 46 9.619 3.970 -17.491 1.00 0.00 C ATOM 511 C LEU A 46 9.383 3.065 -16.288 1.00 0.00 C ATOM 512 O LEU A 46 9.687 1.873 -16.327 1.00 0.00 O ATOM 513 CB LEU A 46 8.418 3.917 -18.444 1.00 0.00 C ATOM 514 CG LEU A 46 8.510 4.841 -19.663 1.00 0.00 C ATOM 515 CD1 LEU A 46 7.303 4.634 -20.568 1.00 0.00 C ATOM 516 CD2 LEU A 46 8.597 6.288 -19.201 1.00 0.00 C ATOM 0 H LEU A 46 10.792 2.696 -18.672 1.00 0.00 H new ATOM 0 HA LEU A 46 9.736 4.990 -17.124 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.297 2.892 -18.794 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.518 4.170 -17.883 1.00 0.00 H new ATOM 0 HG LEU A 46 9.408 4.602 -20.233 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.378 5.295 -21.431 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.275 3.598 -20.906 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.391 4.860 -20.016 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.662 6.944 -20.069 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.708 6.539 -18.623 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.483 6.419 -18.580 1.00 0.00 H new ATOM 528 N PHE A 47 8.839 3.639 -15.221 1.00 0.00 N ATOM 529 CA PHE A 47 8.607 2.897 -13.988 1.00 0.00 C ATOM 530 C PHE A 47 7.118 2.753 -13.703 1.00 0.00 C ATOM 531 O PHE A 47 6.356 3.713 -13.827 1.00 0.00 O ATOM 532 CB PHE A 47 9.303 3.584 -12.811 1.00 0.00 C ATOM 533 CG PHE A 47 10.803 3.551 -12.891 1.00 0.00 C ATOM 534 CD1 PHE A 47 11.518 2.499 -12.338 1.00 0.00 C ATOM 535 CD2 PHE A 47 11.501 4.571 -13.519 1.00 0.00 C ATOM 536 CE1 PHE A 47 12.897 2.467 -12.409 1.00 0.00 C ATOM 537 CE2 PHE A 47 12.881 4.541 -13.593 1.00 0.00 C ATOM 538 CZ PHE A 47 13.579 3.490 -13.038 1.00 0.00 C ATOM 0 H PHE A 47 8.550 4.617 -15.185 1.00 0.00 H new ATOM 0 HA PHE A 47 9.027 1.899 -14.116 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.974 4.622 -12.762 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.987 3.105 -11.884 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.990 1.695 -11.846 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.961 5.398 -13.955 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.442 1.643 -11.973 1.00 0.00 H new ATOM 0 HE2 PHE A 47 13.413 5.342 -14.086 1.00 0.00 H new ATOM 0 HZ PHE A 47 14.657 3.467 -13.095 1.00 0.00 H new ATOM 548 N GLN A 48 6.706 1.549 -13.322 1.00 0.00 N ATOM 549 CA GLN A 48 5.319 1.294 -12.953 1.00 0.00 C ATOM 550 C GLN A 48 5.231 0.422 -11.706 1.00 0.00 C ATOM 551 O GLN A 48 5.868 -0.628 -11.626 1.00 0.00 O ATOM 552 CB GLN A 48 4.573 0.621 -14.108 1.00 0.00 C ATOM 553 CG GLN A 48 3.110 0.329 -13.818 1.00 0.00 C ATOM 554 CD GLN A 48 2.375 -0.208 -15.032 1.00 0.00 C ATOM 555 OE1 GLN A 48 2.705 -1.277 -15.552 1.00 0.00 O ATOM 556 NE2 GLN A 48 1.376 0.535 -15.493 1.00 0.00 N ATOM 0 H GLN A 48 7.315 0.733 -13.261 1.00 0.00 H new ATOM 0 HA GLN A 48 4.852 2.255 -12.735 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.637 1.260 -14.989 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.076 -0.314 -14.355 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.041 -0.394 -13.006 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.621 1.241 -13.475 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.138 1.413 -15.031 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.847 0.228 -16.309 1.00 0.00 H new ATOM 565 N SER A 49 4.439 0.865 -10.735 1.00 0.00 N ATOM 566 CA SER A 49 4.274 0.130 -9.487 1.00 0.00 C ATOM 567 C SER A 49 3.050 -0.774 -9.539 1.00 0.00 C ATOM 568 O SER A 49 2.012 -0.399 -10.083 1.00 0.00 O ATOM 569 CB SER A 49 4.170 1.096 -8.324 1.00 0.00 C ATOM 570 OG SER A 49 5.379 1.762 -8.080 1.00 0.00 O ATOM 0 H SER A 49 3.901 1.730 -10.789 1.00 0.00 H new ATOM 0 HA SER A 49 5.150 -0.502 -9.345 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.389 1.828 -8.530 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.869 0.553 -7.428 1.00 0.00 H new ATOM 0 HG SER A 49 5.307 2.278 -7.250 1.00 0.00 H new ATOM 576 N THR A 50 3.179 -1.969 -8.968 1.00 0.00 N ATOM 577 CA THR A 50 2.074 -2.917 -8.920 1.00 0.00 C ATOM 578 C THR A 50 1.771 -3.339 -7.488 1.00 0.00 C ATOM 579 O THR A 50 2.629 -3.890 -6.798 1.00 0.00 O ATOM 580 CB THR A 50 2.368 -4.172 -9.762 1.00 0.00 C ATOM 581 OG1 THR A 50 2.547 -3.798 -11.135 1.00 0.00 O ATOM 582 CG2 THR A 50 1.223 -5.168 -9.656 1.00 0.00 C ATOM 0 H THR A 50 4.039 -2.302 -8.532 1.00 0.00 H new ATOM 0 HA THR A 50 1.206 -2.406 -9.337 1.00 0.00 H new ATOM 0 HB THR A 50 3.277 -4.640 -9.384 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.672 -3.642 -11.548 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.449 -6.048 -10.258 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.093 -5.464 -8.615 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.305 -4.707 -10.019 1.00 0.00 H new ATOM 590 N VAL A 51 0.546 -3.076 -7.045 1.00 0.00 N ATOM 591 CA VAL A 51 0.099 -3.508 -5.726 1.00 0.00 C ATOM 592 C VAL A 51 -1.021 -4.536 -5.832 1.00 0.00 C ATOM 593 O VAL A 51 -2.107 -4.235 -6.328 1.00 0.00 O ATOM 594 CB VAL A 51 -0.388 -2.319 -4.876 1.00 0.00 C ATOM 595 CG1 VAL A 51 -0.895 -2.803 -3.526 1.00 0.00 C ATOM 596 CG2 VAL A 51 0.728 -1.303 -4.692 1.00 0.00 C ATOM 0 H VAL A 51 -0.156 -2.565 -7.581 1.00 0.00 H new ATOM 0 HA VAL A 51 0.960 -3.963 -5.237 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.211 -1.835 -5.401 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.235 -1.950 -2.938 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.724 -3.495 -3.675 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.090 -3.311 -2.996 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.366 -0.470 -4.089 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.571 -1.776 -4.188 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.048 -0.934 -5.666 1.00 0.00 H new ATOM 606 N ILE A 52 -0.749 -5.750 -5.367 1.00 0.00 N ATOM 607 CA ILE A 52 -1.729 -6.828 -5.422 1.00 0.00 C ATOM 608 C ILE A 52 -2.314 -7.111 -4.044 1.00 0.00 C ATOM 609 O ILE A 52 -1.592 -7.472 -3.114 1.00 0.00 O ATOM 610 CB ILE A 52 -1.113 -8.123 -5.982 1.00 0.00 C ATOM 611 CG1 ILE A 52 -0.583 -7.892 -7.400 1.00 0.00 C ATOM 612 CG2 ILE A 52 -2.138 -9.248 -5.971 1.00 0.00 C ATOM 613 CD1 ILE A 52 0.244 -9.037 -7.937 1.00 0.00 C ATOM 0 H ILE A 52 0.143 -6.012 -4.947 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.524 -6.496 -6.090 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.278 -8.413 -5.345 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.426 -7.720 -8.069 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.021 -6.985 -7.409 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.686 -10.156 -6.370 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.470 -9.427 -4.949 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.993 -8.967 -6.587 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.583 -8.799 -8.945 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.108 -9.196 -7.291 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.362 -9.943 -7.962 1.00 0.00 H new ATOM 625 N LEU A 53 -3.626 -6.944 -3.918 1.00 0.00 N ATOM 626 CA LEU A 53 -4.306 -7.145 -2.645 1.00 0.00 C ATOM 627 C LEU A 53 -5.675 -7.782 -2.844 1.00 0.00 C ATOM 628 O LEU A 53 -6.506 -7.266 -3.593 1.00 0.00 O ATOM 629 CB LEU A 53 -4.442 -5.811 -1.900 1.00 0.00 C ATOM 630 CG LEU A 53 -5.195 -5.881 -0.566 1.00 0.00 C ATOM 631 CD1 LEU A 53 -4.421 -6.739 0.427 1.00 0.00 C ATOM 632 CD2 LEU A 53 -5.397 -4.475 -0.020 1.00 0.00 C ATOM 0 H LEU A 53 -4.241 -6.669 -4.684 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.703 -7.827 -2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.444 -5.413 -1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.953 -5.101 -2.550 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.171 -6.339 -0.724 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.964 -6.782 1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.308 -7.747 0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.436 -6.303 0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.932 -4.526 0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.427 -4.002 0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.976 -3.888 -0.732 1.00 0.00 H new ATOM 644 N ASP A 54 -5.904 -8.904 -2.172 1.00 0.00 N ATOM 645 CA ASP A 54 -7.184 -9.599 -2.253 1.00 0.00 C ATOM 646 C ASP A 54 -7.460 -10.085 -3.670 1.00 0.00 C ATOM 647 O ASP A 54 -8.606 -10.117 -4.115 1.00 0.00 O ATOM 648 CB ASP A 54 -8.319 -8.687 -1.781 1.00 0.00 C ATOM 649 CG ASP A 54 -9.575 -9.426 -1.335 1.00 0.00 C ATOM 650 OD1 ASP A 54 -9.492 -10.609 -1.101 1.00 0.00 O ATOM 651 OD2 ASP A 54 -10.562 -8.779 -1.082 1.00 0.00 O ATOM 0 H ASP A 54 -5.219 -9.353 -1.564 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.132 -10.469 -1.599 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.958 -8.076 -0.953 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.581 -8.005 -2.590 1.00 0.00 H new ATOM 656 N GLY A 55 -6.398 -10.461 -4.377 1.00 0.00 N ATOM 657 CA GLY A 55 -6.527 -10.987 -5.731 1.00 0.00 C ATOM 658 C GLY A 55 -6.839 -9.877 -6.726 1.00 0.00 C ATOM 659 O GLY A 55 -7.193 -10.140 -7.875 1.00 0.00 O ATOM 0 H GLY A 55 -5.439 -10.411 -4.034 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.603 -11.488 -6.019 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.318 -11.737 -5.759 1.00 0.00 H new ATOM 663 N VAL A 56 -6.705 -8.632 -6.277 1.00 0.00 N ATOM 664 CA VAL A 56 -6.947 -7.479 -7.135 1.00 0.00 C ATOM 665 C VAL A 56 -5.659 -6.707 -7.395 1.00 0.00 C ATOM 666 O VAL A 56 -4.972 -6.294 -6.462 1.00 0.00 O ATOM 667 CB VAL A 56 -7.990 -6.527 -6.521 1.00 0.00 C ATOM 668 CG1 VAL A 56 -8.245 -5.347 -7.447 1.00 0.00 C ATOM 669 CG2 VAL A 56 -9.287 -7.268 -6.237 1.00 0.00 C ATOM 0 H VAL A 56 -6.430 -8.397 -5.323 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.333 -7.865 -8.079 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.596 -6.148 -5.578 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.985 -4.685 -6.997 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.315 -4.800 -7.604 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.618 -5.710 -8.405 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.012 -6.579 -5.803 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.684 -7.675 -7.167 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.096 -8.081 -5.537 1.00 0.00 H new ATOM 679 N ARG A 57 -5.340 -6.514 -8.671 1.00 0.00 N ATOM 680 CA ARG A 57 -4.084 -5.883 -9.058 1.00 0.00 C ATOM 681 C ARG A 57 -4.272 -4.392 -9.311 1.00 0.00 C ATOM 682 O ARG A 57 -5.126 -3.990 -10.101 1.00 0.00 O ATOM 683 CB ARG A 57 -3.437 -6.573 -10.250 1.00 0.00 C ATOM 684 CG ARG A 57 -2.116 -5.970 -10.699 1.00 0.00 C ATOM 685 CD ARG A 57 -1.409 -6.753 -11.745 1.00 0.00 C ATOM 686 NE ARG A 57 -1.038 -8.101 -11.342 1.00 0.00 N ATOM 687 CZ ARG A 57 -0.606 -9.060 -12.184 1.00 0.00 C ATOM 688 NH1 ARG A 57 -0.527 -8.838 -13.477 1.00 0.00 N ATOM 689 NH2 ARG A 57 -0.289 -10.238 -11.677 1.00 0.00 N ATOM 0 H ARG A 57 -5.934 -6.786 -9.454 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.397 -5.996 -8.219 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.275 -7.622 -10.000 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.134 -6.549 -11.088 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.299 -4.964 -11.077 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.462 -5.871 -9.832 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.045 -6.813 -12.628 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.508 -6.214 -12.038 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.110 -8.337 -10.352 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.795 -7.930 -13.856 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.198 -9.574 -14.102 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.374 -10.401 -10.674 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.041 -10.984 -12.289 1.00 0.00 H new ATOM 703 N TYR A 58 -3.469 -3.576 -8.636 1.00 0.00 N ATOM 704 CA TYR A 58 -3.530 -2.129 -8.805 1.00 0.00 C ATOM 705 C TYR A 58 -2.261 -1.595 -9.458 1.00 0.00 C ATOM 706 O TYR A 58 -1.225 -1.465 -8.807 1.00 0.00 O ATOM 707 CB TYR A 58 -3.755 -1.443 -7.456 1.00 0.00 C ATOM 708 CG TYR A 58 -4.960 -1.956 -6.699 1.00 0.00 C ATOM 709 CD1 TYR A 58 -6.246 -1.682 -7.141 1.00 0.00 C ATOM 710 CD2 TYR A 58 -4.809 -2.710 -5.545 1.00 0.00 C ATOM 711 CE1 TYR A 58 -7.351 -2.148 -6.455 1.00 0.00 C ATOM 712 CE2 TYR A 58 -5.907 -3.182 -4.851 1.00 0.00 C ATOM 713 CZ TYR A 58 -7.177 -2.897 -5.309 1.00 0.00 C ATOM 714 OH TYR A 58 -8.274 -3.362 -4.622 1.00 0.00 O ATOM 0 H TYR A 58 -2.768 -3.893 -7.966 1.00 0.00 H new ATOM 0 HA TYR A 58 -4.370 -1.905 -9.462 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.867 -1.577 -6.839 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.870 -0.372 -7.619 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.386 -1.095 -8.036 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -3.816 -2.932 -5.182 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -8.346 -1.927 -6.814 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.772 -3.770 -3.956 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.978 -3.872 -3.840 1.00 0.00 H new ATOM 724 N ASN A 59 -2.349 -1.291 -10.748 1.00 0.00 N ATOM 725 CA ASN A 59 -1.204 -0.784 -11.495 1.00 0.00 C ATOM 726 C ASN A 59 -1.199 0.738 -11.529 1.00 0.00 C ATOM 727 O ASN A 59 -2.249 1.369 -11.661 1.00 0.00 O ATOM 728 CB ASN A 59 -1.171 -1.341 -12.905 1.00 0.00 C ATOM 729 CG ASN A 59 -0.954 -2.827 -12.965 1.00 0.00 C ATOM 730 OD1 ASN A 59 0.073 -3.343 -12.510 1.00 0.00 O ATOM 731 ND2 ASN A 59 -1.877 -3.508 -13.598 1.00 0.00 N ATOM 0 H ASN A 59 -3.202 -1.387 -11.299 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.307 -1.120 -10.976 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.110 -1.100 -13.403 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.377 -0.844 -13.463 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.766 -4.513 -13.735 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.707 -3.033 -13.954 1.00 0.00 H new ATOM 738 N SER A 60 -0.014 1.326 -11.408 1.00 0.00 N ATOM 739 CA SER A 60 0.140 2.772 -11.510 1.00 0.00 C ATOM 740 C SER A 60 0.036 3.236 -12.957 1.00 0.00 C ATOM 741 O SER A 60 0.007 2.420 -13.880 1.00 0.00 O ATOM 742 CB SER A 60 1.467 3.199 -10.913 1.00 0.00 C ATOM 743 OG SER A 60 2.556 2.746 -11.669 1.00 0.00 O ATOM 0 H SER A 60 0.856 0.822 -11.239 1.00 0.00 H new ATOM 0 HA SER A 60 -0.669 3.240 -10.949 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.500 4.286 -10.846 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.547 2.814 -9.896 1.00 0.00 H new ATOM 0 HG SER A 60 3.164 3.494 -11.848 1.00 0.00 H new ATOM 749 N LEU A 61 -0.019 4.548 -13.149 1.00 0.00 N ATOM 750 CA LEU A 61 -0.053 5.127 -14.488 1.00 0.00 C ATOM 751 C LEU A 61 1.314 5.049 -15.155 1.00 0.00 C ATOM 752 O LEU A 61 2.330 5.393 -14.553 1.00 0.00 O ATOM 753 CB LEU A 61 -0.534 6.582 -14.425 1.00 0.00 C ATOM 754 CG LEU A 61 -1.983 6.770 -13.956 1.00 0.00 C ATOM 755 CD1 LEU A 61 -2.298 8.254 -13.817 1.00 0.00 C ATOM 756 CD2 LEU A 61 -2.929 6.109 -14.947 1.00 0.00 C ATOM 0 H LEU A 61 -0.041 5.233 -12.394 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.754 4.549 -15.089 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.123 7.137 -13.755 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.429 7.026 -15.415 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.113 6.300 -12.981 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.328 8.378 -13.484 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.624 8.702 -13.087 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.167 8.746 -14.781 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.958 6.243 -14.613 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.804 6.565 -15.929 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.704 5.044 -15.010 1.00 0.00 H new ATOM 768 N PRO A 62 1.331 4.595 -16.404 1.00 0.00 N ATOM 769 CA PRO A 62 2.571 4.487 -17.163 1.00 0.00 C ATOM 770 C PRO A 62 3.053 5.854 -17.632 1.00 0.00 C ATOM 771 O PRO A 62 2.300 6.828 -17.609 1.00 0.00 O ATOM 772 CB PRO A 62 2.213 3.565 -18.341 1.00 0.00 C ATOM 773 CG PRO A 62 0.750 3.809 -18.593 1.00 0.00 C ATOM 774 CD PRO A 62 0.220 3.889 -17.055 1.00 0.00 C ATOM 0 HA PRO A 62 3.394 4.088 -16.570 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.810 3.800 -19.222 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.403 2.520 -18.097 1.00 0.00 H new ATOM 0 HG2 PRO A 62 0.569 4.730 -19.147 1.00 0.00 H new ATOM 0 HG3 PRO A 62 0.282 3.001 -19.156 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.719 4.436 -16.972 1.00 0.00 H new ATOM 0 HD3 PRO A 62 0.053 2.901 -16.626 1.00 0.00 H new ATOM 782 N GLY A 63 4.310 5.922 -18.056 1.00 0.00 N ATOM 783 CA GLY A 63 4.873 7.153 -18.594 1.00 0.00 C ATOM 784 C GLY A 63 5.646 7.918 -17.527 1.00 0.00 C ATOM 785 O GLY A 63 6.111 9.033 -17.764 1.00 0.00 O ATOM 0 H GLY A 63 4.960 5.136 -18.037 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.534 6.919 -19.428 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.073 7.780 -18.987 1.00 0.00 H new ATOM 789 N PHE A 64 5.779 7.312 -16.353 1.00 0.00 N ATOM 790 CA PHE A 64 6.524 7.921 -15.258 1.00 0.00 C ATOM 791 C PHE A 64 8.008 7.585 -15.347 1.00 0.00 C ATOM 792 O PHE A 64 8.380 6.462 -15.684 1.00 0.00 O ATOM 793 CB PHE A 64 5.962 7.465 -13.910 1.00 0.00 C ATOM 794 CG PHE A 64 4.582 7.984 -13.623 1.00 0.00 C ATOM 795 CD1 PHE A 64 4.041 9.013 -14.380 1.00 0.00 C ATOM 796 CD2 PHE A 64 3.822 7.445 -12.596 1.00 0.00 C ATOM 797 CE1 PHE A 64 2.770 9.491 -14.116 1.00 0.00 C ATOM 798 CE2 PHE A 64 2.552 7.920 -12.331 1.00 0.00 C ATOM 799 CZ PHE A 64 2.026 8.944 -13.093 1.00 0.00 C ATOM 0 H PHE A 64 5.380 6.399 -16.135 1.00 0.00 H new ATOM 0 HA PHE A 64 6.414 9.002 -15.341 1.00 0.00 H new ATOM 0 HB2 PHE A 64 5.943 6.375 -13.884 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.635 7.791 -13.117 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.618 9.445 -15.184 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.228 6.644 -11.996 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.361 10.293 -14.712 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.971 7.491 -11.528 1.00 0.00 H new ATOM 0 HZ PHE A 64 1.033 9.316 -12.888 1.00 0.00 H new ATOM 809 N PHE A 65 8.850 8.566 -15.042 1.00 0.00 N ATOM 810 CA PHE A 65 10.294 8.404 -15.170 1.00 0.00 C ATOM 811 C PHE A 65 10.952 8.232 -13.808 1.00 0.00 C ATOM 812 O PHE A 65 12.167 8.381 -13.671 1.00 0.00 O ATOM 813 CB PHE A 65 10.904 9.601 -15.902 1.00 0.00 C ATOM 814 CG PHE A 65 10.463 9.725 -17.333 1.00 0.00 C ATOM 815 CD1 PHE A 65 11.089 8.997 -18.333 1.00 0.00 C ATOM 816 CD2 PHE A 65 9.420 10.569 -17.683 1.00 0.00 C ATOM 817 CE1 PHE A 65 10.687 9.110 -19.650 1.00 0.00 C ATOM 818 CE2 PHE A 65 9.014 10.684 -18.999 1.00 0.00 C ATOM 819 CZ PHE A 65 9.647 9.955 -19.981 1.00 0.00 C ATOM 0 H PHE A 65 8.557 9.483 -14.704 1.00 0.00 H new ATOM 0 HA PHE A 65 10.478 7.501 -15.753 1.00 0.00 H new ATOM 0 HB2 PHE A 65 10.639 10.514 -15.369 1.00 0.00 H new ATOM 0 HB3 PHE A 65 11.990 9.518 -15.872 1.00 0.00 H new ATOM 0 HD1 PHE A 65 11.902 8.333 -18.079 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.919 11.143 -16.918 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.185 8.538 -20.419 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.200 11.346 -19.257 1.00 0.00 H new ATOM 0 HZ PHE A 65 9.330 10.044 -21.010 1.00 0.00 H new ATOM 829 N ASN A 66 10.144 7.918 -12.801 1.00 0.00 N ATOM 830 CA ASN A 66 10.656 7.646 -11.463 1.00 0.00 C ATOM 831 C ASN A 66 9.700 6.761 -10.676 1.00 0.00 C ATOM 832 O ASN A 66 8.527 6.630 -11.029 1.00 0.00 O ATOM 833 CB ASN A 66 10.928 8.932 -10.702 1.00 0.00 C ATOM 834 CG ASN A 66 9.700 9.768 -10.469 1.00 0.00 C ATOM 835 OD1 ASN A 66 8.834 9.423 -9.657 1.00 0.00 O ATOM 836 ND2 ASN A 66 9.582 10.823 -11.234 1.00 0.00 N ATOM 0 H ASN A 66 9.130 7.846 -12.886 1.00 0.00 H new ATOM 0 HA ASN A 66 11.600 7.113 -11.582 1.00 0.00 H new ATOM 0 HB2 ASN A 66 11.377 8.686 -9.740 1.00 0.00 H new ATOM 0 HB3 ASN A 66 11.659 9.523 -11.254 1.00 0.00 H new ATOM 0 HD21 ASN A 66 8.746 11.404 -11.176 1.00 0.00 H new ATOM 0 HD22 ASN A 66 10.326 11.064 -11.888 1.00 0.00 H new ATOM 843 N ARG A 67 10.206 6.155 -9.608 1.00 0.00 N ATOM 844 CA ARG A 67 9.430 5.191 -8.834 1.00 0.00 C ATOM 845 C ARG A 67 8.443 5.895 -7.911 1.00 0.00 C ATOM 846 O ARG A 67 7.346 5.394 -7.664 1.00 0.00 O ATOM 847 CB ARG A 67 10.319 4.225 -8.067 1.00 0.00 C ATOM 848 CG ARG A 67 11.073 3.225 -8.930 1.00 0.00 C ATOM 849 CD ARG A 67 11.975 2.319 -8.173 1.00 0.00 C ATOM 850 NE ARG A 67 12.677 1.346 -8.994 1.00 0.00 N ATOM 851 CZ ARG A 67 13.654 0.532 -8.547 1.00 0.00 C ATOM 852 NH1 ARG A 67 14.073 0.596 -7.302 1.00 0.00 N ATOM 853 NH2 ARG A 67 14.197 -0.318 -9.401 1.00 0.00 N ATOM 0 H ARG A 67 11.151 6.314 -9.258 1.00 0.00 H new ATOM 0 HA ARG A 67 8.857 4.595 -9.544 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.041 4.801 -7.488 1.00 0.00 H new ATOM 0 HB3 ARG A 67 9.704 3.676 -7.354 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.351 2.622 -9.481 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.661 3.771 -9.667 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.709 2.921 -7.638 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.390 1.788 -7.422 1.00 0.00 H new ATOM 0 HE ARG A 67 12.412 1.274 -9.976 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.658 1.269 -6.658 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.813 -0.028 -6.980 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.875 -0.345 -10.368 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.939 -0.947 -9.093 1.00 0.00 H new ATOM 867 N LYS A 68 8.839 7.056 -7.404 1.00 0.00 N ATOM 868 CA LYS A 68 8.050 7.765 -6.403 1.00 0.00 C ATOM 869 C LYS A 68 6.646 8.059 -6.916 1.00 0.00 C ATOM 870 O LYS A 68 5.658 7.809 -6.226 1.00 0.00 O ATOM 871 CB LYS A 68 8.744 9.064 -5.995 1.00 0.00 C ATOM 872 CG LYS A 68 8.014 9.857 -4.919 1.00 0.00 C ATOM 873 CD LYS A 68 8.798 11.096 -4.515 1.00 0.00 C ATOM 874 CE LYS A 68 8.048 11.913 -3.473 1.00 0.00 C ATOM 875 NZ LYS A 68 8.798 13.136 -3.079 1.00 0.00 N ATOM 0 H LYS A 68 9.703 7.528 -7.670 1.00 0.00 H new ATOM 0 HA LYS A 68 7.965 7.121 -5.528 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.747 8.829 -5.638 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.859 9.693 -6.878 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.030 10.150 -5.286 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.853 9.225 -4.045 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.769 10.800 -4.118 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.987 11.711 -5.395 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.073 12.197 -3.868 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.868 11.298 -2.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.253 13.664 -2.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.718 12.865 -2.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.948 13.736 -3.915 1.00 0.00 H new ATOM 889 N ALA A 69 6.565 8.592 -8.130 1.00 0.00 N ATOM 890 CA ALA A 69 5.281 8.910 -8.743 1.00 0.00 C ATOM 891 C ALA A 69 4.447 7.654 -8.955 1.00 0.00 C ATOM 892 O ALA A 69 3.241 7.650 -8.706 1.00 0.00 O ATOM 893 CB ALA A 69 5.489 9.640 -10.060 1.00 0.00 C ATOM 0 H ALA A 69 7.375 8.813 -8.710 1.00 0.00 H new ATOM 0 HA ALA A 69 4.735 9.564 -8.063 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.521 9.870 -10.505 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.035 10.566 -9.880 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.060 9.008 -10.740 1.00 0.00 H new ATOM 899 N ALA A 70 5.094 6.590 -9.416 1.00 0.00 N ATOM 900 CA ALA A 70 4.417 5.318 -9.639 1.00 0.00 C ATOM 901 C ALA A 70 3.801 4.790 -8.351 1.00 0.00 C ATOM 902 O ALA A 70 2.670 4.301 -8.347 1.00 0.00 O ATOM 903 CB ALA A 70 5.382 4.301 -10.225 1.00 0.00 C ATOM 0 H ALA A 70 6.088 6.583 -9.643 1.00 0.00 H new ATOM 0 HA ALA A 70 3.610 5.485 -10.352 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.862 3.357 -10.386 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.766 4.670 -11.176 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.211 4.146 -9.534 1.00 0.00 H new ATOM 909 N GLU A 71 4.549 4.890 -7.258 1.00 0.00 N ATOM 910 CA GLU A 71 4.081 4.410 -5.962 1.00 0.00 C ATOM 911 C GLU A 71 2.839 5.168 -5.509 1.00 0.00 C ATOM 912 O GLU A 71 1.883 4.573 -5.015 1.00 0.00 O ATOM 913 CB GLU A 71 5.187 4.540 -4.912 1.00 0.00 C ATOM 914 CG GLU A 71 6.333 3.553 -5.082 1.00 0.00 C ATOM 915 CD GLU A 71 7.437 3.823 -4.097 1.00 0.00 C ATOM 916 OE1 GLU A 71 7.339 4.786 -3.373 1.00 0.00 O ATOM 917 OE2 GLU A 71 8.323 3.008 -3.990 1.00 0.00 O ATOM 0 H GLU A 71 5.483 5.300 -7.243 1.00 0.00 H new ATOM 0 HA GLU A 71 3.817 3.358 -6.072 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.588 5.553 -4.947 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.750 4.404 -3.923 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.963 2.536 -4.948 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.724 3.618 -6.097 1.00 0.00 H new ATOM 924 N GLN A 72 2.860 6.486 -5.684 1.00 0.00 N ATOM 925 CA GLN A 72 1.737 7.328 -5.291 1.00 0.00 C ATOM 926 C GLN A 72 0.506 7.033 -6.139 1.00 0.00 C ATOM 927 O GLN A 72 -0.614 6.991 -5.630 1.00 0.00 O ATOM 928 CB GLN A 72 2.108 8.808 -5.416 1.00 0.00 C ATOM 929 CG GLN A 72 3.117 9.286 -4.386 1.00 0.00 C ATOM 930 CD GLN A 72 3.541 10.724 -4.616 1.00 0.00 C ATOM 931 OE1 GLN A 72 3.157 11.350 -5.608 1.00 0.00 O ATOM 932 NE2 GLN A 72 4.343 11.257 -3.700 1.00 0.00 N ATOM 0 H GLN A 72 3.643 6.993 -6.096 1.00 0.00 H new ATOM 0 HA GLN A 72 1.502 7.104 -4.250 1.00 0.00 H new ATOM 0 HB2 GLN A 72 2.511 8.987 -6.413 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.202 9.407 -5.326 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.687 9.192 -3.389 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.996 8.642 -4.416 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.636 10.704 -2.895 1.00 0.00 H new ATOM 0 HE22 GLN A 72 4.665 12.219 -3.802 1.00 0.00 H new ATOM 941 N SER A 73 0.720 6.830 -7.435 1.00 0.00 N ATOM 942 CA SER A 73 -0.371 6.527 -8.353 1.00 0.00 C ATOM 943 C SER A 73 -1.018 5.190 -8.016 1.00 0.00 C ATOM 944 O SER A 73 -2.243 5.063 -8.027 1.00 0.00 O ATOM 945 CB SER A 73 0.136 6.522 -9.782 1.00 0.00 C ATOM 946 OG SER A 73 -0.836 6.073 -10.684 1.00 0.00 O ATOM 0 H SER A 73 1.640 6.870 -7.873 1.00 0.00 H new ATOM 0 HA SER A 73 -1.129 7.303 -8.248 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.449 7.529 -10.059 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.017 5.884 -9.851 1.00 0.00 H new ATOM 0 HG SER A 73 -1.363 6.835 -11.003 1.00 0.00 H new ATOM 952 N ALA A 74 -0.191 4.196 -7.716 1.00 0.00 N ATOM 953 CA ALA A 74 -0.683 2.876 -7.340 1.00 0.00 C ATOM 954 C ALA A 74 -1.512 2.940 -6.063 1.00 0.00 C ATOM 955 O ALA A 74 -2.550 2.288 -5.952 1.00 0.00 O ATOM 956 CB ALA A 74 0.475 1.905 -7.174 1.00 0.00 C ATOM 0 H ALA A 74 0.826 4.279 -7.726 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.329 2.517 -8.142 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.090 0.925 -6.893 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.021 1.825 -8.114 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.146 2.268 -6.395 1.00 0.00 H new ATOM 962 N ALA A 75 -1.047 3.728 -5.101 1.00 0.00 N ATOM 963 CA ALA A 75 -1.769 3.916 -3.848 1.00 0.00 C ATOM 964 C ALA A 75 -3.124 4.570 -4.087 1.00 0.00 C ATOM 965 O ALA A 75 -4.126 4.178 -3.488 1.00 0.00 O ATOM 966 CB ALA A 75 -0.941 4.744 -2.878 1.00 0.00 C ATOM 0 H ALA A 75 -0.172 4.248 -5.165 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.944 2.934 -3.408 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.494 4.875 -1.948 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.001 4.231 -2.672 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.734 5.720 -3.318 1.00 0.00 H new ATOM 972 N GLU A 76 -3.149 5.568 -4.962 1.00 0.00 N ATOM 973 CA GLU A 76 -4.377 6.291 -5.265 1.00 0.00 C ATOM 974 C GLU A 76 -5.409 5.379 -5.915 1.00 0.00 C ATOM 975 O GLU A 76 -6.592 5.423 -5.580 1.00 0.00 O ATOM 976 CB GLU A 76 -4.085 7.485 -6.177 1.00 0.00 C ATOM 977 CG GLU A 76 -3.400 8.654 -5.482 1.00 0.00 C ATOM 978 CD GLU A 76 -2.943 9.687 -6.473 1.00 0.00 C ATOM 979 OE1 GLU A 76 -3.070 9.450 -7.650 1.00 0.00 O ATOM 980 OE2 GLU A 76 -2.570 10.757 -6.055 1.00 0.00 O ATOM 0 H GLU A 76 -2.330 5.895 -5.475 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.788 6.655 -4.324 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.457 7.151 -7.003 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.023 7.834 -6.610 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.088 9.110 -4.770 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.545 8.291 -4.912 1.00 0.00 H new ATOM 987 N VAL A 77 -4.952 4.547 -6.847 1.00 0.00 N ATOM 988 CA VAL A 77 -5.831 3.607 -7.533 1.00 0.00 C ATOM 989 C VAL A 77 -6.437 2.607 -6.557 1.00 0.00 C ATOM 990 O VAL A 77 -7.636 2.331 -6.600 1.00 0.00 O ATOM 991 CB VAL A 77 -5.085 2.841 -8.641 1.00 0.00 C ATOM 992 CG1 VAL A 77 -5.937 1.694 -9.162 1.00 0.00 C ATOM 993 CG2 VAL A 77 -4.708 3.781 -9.777 1.00 0.00 C ATOM 0 H VAL A 77 -3.977 4.505 -7.144 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.628 4.196 -7.986 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.170 2.427 -8.217 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.394 1.164 -9.944 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.161 1.007 -8.346 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.868 2.088 -9.570 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.182 3.223 -10.551 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.611 4.223 -10.198 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.061 4.571 -9.396 1.00 0.00 H new ATOM 1003 N ALA A 78 -5.601 2.066 -5.677 1.00 0.00 N ATOM 1004 CA ALA A 78 -6.051 1.089 -4.693 1.00 0.00 C ATOM 1005 C ALA A 78 -7.078 1.696 -3.744 1.00 0.00 C ATOM 1006 O ALA A 78 -8.099 1.079 -3.442 1.00 0.00 O ATOM 1007 CB ALA A 78 -4.869 0.537 -3.914 1.00 0.00 C ATOM 0 H ALA A 78 -4.607 2.288 -5.625 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.531 0.269 -5.228 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.223 -0.191 -3.184 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.174 0.054 -4.601 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.361 1.352 -3.398 1.00 0.00 H new ATOM 1013 N LEU A 79 -6.799 2.908 -3.277 1.00 0.00 N ATOM 1014 CA LEU A 79 -7.683 3.589 -2.339 1.00 0.00 C ATOM 1015 C LEU A 79 -9.020 3.923 -2.988 1.00 0.00 C ATOM 1016 O LEU A 79 -10.073 3.783 -2.366 1.00 0.00 O ATOM 1017 CB LEU A 79 -7.013 4.863 -1.809 1.00 0.00 C ATOM 1018 CG LEU A 79 -5.848 4.633 -0.838 1.00 0.00 C ATOM 1019 CD1 LEU A 79 -5.135 5.949 -0.556 1.00 0.00 C ATOM 1020 CD2 LEU A 79 -6.375 4.019 0.451 1.00 0.00 C ATOM 0 H LEU A 79 -5.967 3.439 -3.533 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.874 2.916 -1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.649 5.443 -2.657 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -7.768 5.470 -1.309 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.131 3.946 -1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.310 5.775 0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.748 6.360 -1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.837 6.655 -0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.547 3.855 1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.099 4.695 0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.857 3.066 0.230 1.00 0.00 H new ATOM 1032 N ARG A 80 -8.972 4.368 -4.238 1.00 0.00 N ATOM 1033 CA ARG A 80 -10.179 4.732 -4.969 1.00 0.00 C ATOM 1034 C ARG A 80 -11.059 3.513 -5.221 1.00 0.00 C ATOM 1035 O ARG A 80 -12.280 3.578 -5.079 1.00 0.00 O ATOM 1036 CB ARG A 80 -9.866 5.470 -6.262 1.00 0.00 C ATOM 1037 CG ARG A 80 -9.385 6.902 -6.082 1.00 0.00 C ATOM 1038 CD ARG A 80 -9.018 7.588 -7.346 1.00 0.00 C ATOM 1039 NE ARG A 80 -8.565 8.959 -7.176 1.00 0.00 N ATOM 1040 CZ ARG A 80 -8.127 9.749 -8.177 1.00 0.00 C ATOM 1041 NH1 ARG A 80 -8.046 9.299 -9.409 1.00 0.00 N ATOM 1042 NH2 ARG A 80 -7.758 10.983 -7.882 1.00 0.00 N ATOM 0 H ARG A 80 -8.108 4.486 -4.767 1.00 0.00 H new ATOM 0 HA ARG A 80 -10.739 5.424 -4.339 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -9.104 4.912 -6.806 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -10.761 5.478 -6.884 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -10.167 7.476 -5.585 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -8.520 6.901 -5.419 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -8.232 7.017 -7.840 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -9.881 7.583 -8.011 1.00 0.00 H new ATOM 0 HE ARG A 80 -8.580 9.350 -6.234 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -8.317 8.338 -9.620 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -7.712 9.910 -10.154 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -7.809 11.314 -6.919 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -7.422 11.605 -8.618 1.00 0.00 H new ATOM 1056 N GLU A 81 -10.432 2.404 -5.596 1.00 0.00 N ATOM 1057 CA GLU A 81 -11.152 1.159 -5.834 1.00 0.00 C ATOM 1058 C GLU A 81 -11.789 0.639 -4.551 1.00 0.00 C ATOM 1059 O GLU A 81 -12.899 0.105 -4.570 1.00 0.00 O ATOM 1060 CB GLU A 81 -10.216 0.102 -6.423 1.00 0.00 C ATOM 1061 CG GLU A 81 -9.849 0.331 -7.882 1.00 0.00 C ATOM 1062 CD GLU A 81 -11.071 0.326 -8.759 1.00 0.00 C ATOM 1063 OE1 GLU A 81 -11.829 -0.611 -8.685 1.00 0.00 O ATOM 1064 OE2 GLU A 81 -11.304 1.309 -9.422 1.00 0.00 O ATOM 0 H GLU A 81 -9.424 2.342 -5.742 1.00 0.00 H new ATOM 0 HA GLU A 81 -11.947 1.365 -6.551 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.301 0.074 -5.831 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.687 -0.876 -6.329 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.330 1.284 -7.984 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.159 -0.445 -8.212 1.00 0.00 H new ATOM 1071 N LEU A 82 -11.081 0.797 -3.438 1.00 0.00 N ATOM 1072 CA LEU A 82 -11.616 0.432 -2.132 1.00 0.00 C ATOM 1073 C LEU A 82 -12.829 1.282 -1.777 1.00 0.00 C ATOM 1074 O LEU A 82 -13.834 0.772 -1.282 1.00 0.00 O ATOM 1075 CB LEU A 82 -10.532 0.574 -1.057 1.00 0.00 C ATOM 1076 CG LEU A 82 -10.973 0.211 0.368 1.00 0.00 C ATOM 1077 CD1 LEU A 82 -11.405 -1.247 0.424 1.00 0.00 C ATOM 1078 CD2 LEU A 82 -9.829 0.473 1.336 1.00 0.00 C ATOM 0 H LEU A 82 -10.134 1.176 -3.414 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.937 -0.609 -2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.687 -0.057 -1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.174 1.604 -1.058 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.823 0.830 0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.716 -1.496 1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -12.238 -1.406 -0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.570 -1.885 0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.142 0.215 2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.969 -0.136 1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.555 1.527 1.299 1.00 0.00 H new ATOM 1090 N ALA A 83 -12.729 2.583 -2.033 1.00 0.00 N ATOM 1091 CA ALA A 83 -13.813 3.509 -1.727 1.00 0.00 C ATOM 1092 C ALA A 83 -15.100 3.105 -2.437 1.00 0.00 C ATOM 1093 O ALA A 83 -16.196 3.298 -1.911 1.00 0.00 O ATOM 1094 CB ALA A 83 -13.420 4.929 -2.104 1.00 0.00 C ATOM 0 H ALA A 83 -11.908 3.019 -2.452 1.00 0.00 H new ATOM 0 HA ALA A 83 -13.996 3.470 -0.653 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -14.240 5.608 -1.869 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.534 5.223 -1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.205 4.976 -3.171 1.00 0.00 H new ATOM 1100 N LYS A 84 -14.959 2.544 -3.633 1.00 0.00 N ATOM 1101 CA LYS A 84 -16.111 2.191 -4.453 1.00 0.00 C ATOM 1102 C LYS A 84 -16.949 1.105 -3.788 1.00 0.00 C ATOM 1103 O LYS A 84 -18.136 0.958 -4.082 1.00 0.00 O ATOM 1104 CB LYS A 84 -15.660 1.732 -5.840 1.00 0.00 C ATOM 1105 CG LYS A 84 -15.125 2.847 -6.729 1.00 0.00 C ATOM 1106 CD LYS A 84 -14.613 2.302 -8.055 1.00 0.00 C ATOM 1107 CE LYS A 84 -14.125 3.421 -8.962 1.00 0.00 C ATOM 1108 NZ LYS A 84 -13.586 2.899 -10.248 1.00 0.00 N ATOM 0 H LYS A 84 -14.057 2.324 -4.056 1.00 0.00 H new ATOM 0 HA LYS A 84 -16.730 3.082 -4.559 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -14.886 0.973 -5.724 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -16.501 1.255 -6.343 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.913 3.577 -6.914 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.320 3.371 -6.214 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -13.800 1.599 -7.872 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -15.408 1.747 -8.554 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -14.947 4.108 -9.165 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -13.351 3.992 -8.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -13.311 3.695 -10.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.754 2.304 -10.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -14.316 2.333 -10.726 1.00 0.00 H new ATOM 1122 N SER A 85 -16.325 0.347 -2.894 1.00 0.00 N ATOM 1123 CA SER A 85 -17.000 -0.754 -2.218 1.00 0.00 C ATOM 1124 C SER A 85 -18.003 -0.239 -1.194 1.00 0.00 C ATOM 1125 O SER A 85 -18.891 -0.971 -0.758 1.00 0.00 O ATOM 1126 CB SER A 85 -15.983 -1.660 -1.553 1.00 0.00 C ATOM 1127 OG SER A 85 -15.340 -1.030 -0.479 1.00 0.00 O ATOM 0 H SER A 85 -15.351 0.475 -2.620 1.00 0.00 H new ATOM 0 HA SER A 85 -17.549 -1.326 -2.966 1.00 0.00 H new ATOM 0 HB2 SER A 85 -16.480 -2.563 -1.199 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.240 -1.972 -2.288 1.00 0.00 H new ATOM 0 HG SER A 85 -14.477 -0.675 -0.777 1.00 0.00 H new ATOM 1133 N SER A 86 -17.857 1.026 -0.814 1.00 0.00 N ATOM 1134 CA SER A 86 -18.754 1.643 0.155 1.00 0.00 C ATOM 1135 C SER A 86 -20.203 1.568 -0.312 1.00 0.00 C ATOM 1136 O SER A 86 -21.118 1.424 0.500 1.00 0.00 O ATOM 1137 CB SER A 86 -18.350 3.085 0.396 1.00 0.00 C ATOM 1138 OG SER A 86 -19.217 3.733 1.285 1.00 0.00 O ATOM 0 H SER A 86 -17.125 1.644 -1.163 1.00 0.00 H new ATOM 0 HA SER A 86 -18.675 1.092 1.092 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.335 3.115 0.793 1.00 0.00 H new ATOM 0 HB3 SER A 86 -18.337 3.621 -0.553 1.00 0.00 H new ATOM 0 HG SER A 86 -18.921 4.658 1.414 1.00 0.00 H new TER 1144 SER A 86