USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 831 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 55 GLN : amide:sc= 0.0575 K(o=0.012,f=0.99) USER MOD Set 1.2: A 57 TYR OH : rot -46:sc= -0.0454 USER MOD Set 2.1: A 34 HIS : no HE2:sc= 0.712 K(o=0.72,f=-2.7!) USER MOD Set 2.2: A 39 THR OG1 : rot 180:sc= 0.00955 USER MOD Single : A 2 HIS : no HD1:sc= -2.19 X(o=-2.2,f=-2.5!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 101:sc= 1.32 USER MOD Single : A 36 LYS NZ :NH3+ -165:sc= 0.349 (180deg=0.139) USER MOD Single : A 37 ASN : amide:sc= 0.854 K(o=0.85,f=0) USER MOD Single : A 40 CYS SG : rot 120:sc= -1.36 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.043 X(o=-0.043,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -144:sc= 0.749 (180deg=-0.0211) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.169) USER MOD Single : A 81 MET CE :methyl -162:sc= -0.075 (180deg=-0.446) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 165:sc= 1.11 USER MOD Single : A 99 HIS : no HE2:sc= -0.802 K(o=-0.8,f=-4!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= -0.202 K(o=-0.2,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 8 N HIS A 2 1.726 -20.357 1.020 1.00 0.00 N ATOM 9 CA HIS A 2 1.573 -18.911 1.195 1.00 0.00 C ATOM 10 C HIS A 2 2.000 -18.482 2.623 1.00 0.00 C ATOM 11 O HIS A 2 2.310 -19.334 3.457 1.00 0.00 O ATOM 12 CB HIS A 2 0.163 -18.449 0.767 1.00 0.00 C ATOM 13 CG HIS A 2 -0.322 -18.853 -0.604 1.00 0.00 C ATOM 14 ND1 HIS A 2 -0.770 -20.091 -1.017 1.00 0.00 N ATOM 15 CD2 HIS A 2 -0.638 -17.970 -1.590 1.00 0.00 C ATOM 16 CE1 HIS A 2 -1.337 -19.950 -2.225 1.00 0.00 C ATOM 17 NE2 HIS A 2 -1.286 -18.667 -2.620 1.00 0.00 N ATOM 0 HA HIS A 2 2.254 -18.385 0.526 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -0.550 -18.826 1.500 1.00 0.00 H new ATOM 0 HB3 HIS A 2 0.134 -17.361 0.826 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -0.426 -16.911 -1.581 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -1.773 -20.754 -2.799 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -1.646 -18.279 -3.492 1.00 0.00 H new ATOM 25 N VAL A 3 2.082 -17.178 2.912 1.00 0.00 N ATOM 26 CA VAL A 3 2.448 -16.606 4.214 1.00 0.00 C ATOM 27 C VAL A 3 1.312 -15.681 4.605 1.00 0.00 C ATOM 28 O VAL A 3 0.785 -14.977 3.747 1.00 0.00 O ATOM 29 CB VAL A 3 3.759 -15.804 4.104 1.00 0.00 C ATOM 30 CG1 VAL A 3 4.107 -14.969 5.345 1.00 0.00 C ATOM 31 CG2 VAL A 3 4.940 -16.704 3.753 1.00 0.00 C ATOM 0 H VAL A 3 1.886 -16.460 2.214 1.00 0.00 H new ATOM 0 HA VAL A 3 2.604 -17.390 4.955 1.00 0.00 H new ATOM 0 HB VAL A 3 3.572 -15.098 3.295 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.045 -14.440 5.176 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.312 -14.248 5.533 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.212 -15.626 6.208 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.847 -16.104 3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.064 -17.461 4.528 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.754 -17.192 2.796 1.00 0.00 H new ATOM 41 N GLN A 4 0.944 -15.636 5.878 1.00 0.00 N ATOM 42 CA GLN A 4 -0.127 -14.777 6.352 1.00 0.00 C ATOM 43 C GLN A 4 0.441 -13.420 6.713 1.00 0.00 C ATOM 44 O GLN A 4 1.505 -13.333 7.331 1.00 0.00 O ATOM 45 CB GLN A 4 -0.871 -15.406 7.544 1.00 0.00 C ATOM 46 CG GLN A 4 -2.369 -15.245 7.290 1.00 0.00 C ATOM 47 CD GLN A 4 -3.261 -15.861 8.356 1.00 0.00 C ATOM 48 OE1 GLN A 4 -3.518 -17.062 8.341 1.00 0.00 O ATOM 49 NE2 GLN A 4 -3.817 -15.043 9.233 1.00 0.00 N ATOM 0 H GLN A 4 1.381 -16.195 6.610 1.00 0.00 H new ATOM 0 HA GLN A 4 -0.859 -14.656 5.553 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.611 -16.460 7.645 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.586 -14.916 8.475 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.599 -14.182 7.212 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -2.611 -15.695 6.327 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -3.585 -14.050 9.222 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -4.478 -15.405 9.920 1.00 0.00 H new ATOM 58 N LEU A 5 -0.294 -12.366 6.364 1.00 0.00 N ATOM 59 CA LEU A 5 0.037 -11.003 6.737 1.00 0.00 C ATOM 60 C LEU A 5 -1.228 -10.295 7.189 1.00 0.00 C ATOM 61 O LEU A 5 -2.284 -10.501 6.598 1.00 0.00 O ATOM 62 CB LEU A 5 0.699 -10.270 5.560 1.00 0.00 C ATOM 63 CG LEU A 5 2.105 -10.785 5.197 1.00 0.00 C ATOM 64 CD1 LEU A 5 2.603 -10.116 3.919 1.00 0.00 C ATOM 65 CD2 LEU A 5 3.133 -10.485 6.292 1.00 0.00 C ATOM 0 H LEU A 5 -1.145 -12.441 5.807 1.00 0.00 H new ATOM 0 HA LEU A 5 0.752 -11.008 7.560 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.056 -10.359 4.685 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.765 -9.209 5.800 1.00 0.00 H new ATOM 0 HG LEU A 5 2.010 -11.864 5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.597 -10.490 3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.920 -10.342 3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.648 -9.037 4.067 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.108 -10.867 5.990 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.197 -9.408 6.446 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.826 -10.966 7.221 1.00 0.00 H new ATOM 77 N SER A 6 -1.134 -9.485 8.237 1.00 0.00 N ATOM 78 CA SER A 6 -2.225 -8.667 8.736 1.00 0.00 C ATOM 79 C SER A 6 -1.932 -7.209 8.392 1.00 0.00 C ATOM 80 O SER A 6 -0.789 -6.849 8.081 1.00 0.00 O ATOM 81 CB SER A 6 -2.418 -8.863 10.245 1.00 0.00 C ATOM 82 OG SER A 6 -1.942 -10.114 10.725 1.00 0.00 O ATOM 0 H SER A 6 -0.274 -9.379 8.775 1.00 0.00 H new ATOM 0 HA SER A 6 -3.159 -8.969 8.262 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.904 -8.061 10.775 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.478 -8.773 10.481 1.00 0.00 H new ATOM 0 HG SER A 6 -2.094 -10.173 11.691 1.00 0.00 H new ATOM 88 N LEU A 7 -2.968 -6.377 8.420 1.00 0.00 N ATOM 89 CA LEU A 7 -2.885 -4.949 8.153 1.00 0.00 C ATOM 90 C LEU A 7 -3.877 -4.256 9.085 1.00 0.00 C ATOM 91 O LEU A 7 -5.031 -4.685 9.098 1.00 0.00 O ATOM 92 CB LEU A 7 -3.288 -4.663 6.692 1.00 0.00 C ATOM 93 CG LEU A 7 -2.352 -5.281 5.633 1.00 0.00 C ATOM 94 CD1 LEU A 7 -3.075 -5.499 4.303 1.00 0.00 C ATOM 95 CD2 LEU A 7 -1.108 -4.409 5.453 1.00 0.00 C ATOM 0 H LEU A 7 -3.915 -6.689 8.636 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.869 -4.590 8.314 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.298 -5.038 6.528 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.321 -3.584 6.543 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.037 -6.262 5.989 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.385 -5.936 3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.918 -6.174 4.453 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.438 -4.543 3.925 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.456 -4.856 4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.406 -3.413 5.127 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.575 -4.336 6.401 1.00 0.00 H new ATOM 107 N PRO A 8 -3.514 -3.194 9.823 1.00 0.00 N ATOM 108 CA PRO A 8 -4.492 -2.317 10.439 1.00 0.00 C ATOM 109 C PRO A 8 -5.262 -1.621 9.311 1.00 0.00 C ATOM 110 O PRO A 8 -4.663 -1.103 8.365 1.00 0.00 O ATOM 111 CB PRO A 8 -3.672 -1.367 11.318 1.00 0.00 C ATOM 112 CG PRO A 8 -2.342 -1.248 10.584 1.00 0.00 C ATOM 113 CD PRO A 8 -2.180 -2.648 9.999 1.00 0.00 C ATOM 0 HA PRO A 8 -5.239 -2.813 11.059 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.159 -0.398 11.422 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.540 -1.767 12.323 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.370 -0.482 9.809 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.525 -0.990 11.258 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.651 -2.609 9.047 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.591 -3.278 10.665 1.00 0.00 H new ATOM 121 N VAL A 9 -6.587 -1.653 9.371 1.00 0.00 N ATOM 122 CA VAL A 9 -7.450 -0.883 8.488 1.00 0.00 C ATOM 123 C VAL A 9 -7.458 0.518 9.072 1.00 0.00 C ATOM 124 O VAL A 9 -7.860 0.678 10.225 1.00 0.00 O ATOM 125 CB VAL A 9 -8.860 -1.495 8.441 1.00 0.00 C ATOM 126 CG1 VAL A 9 -9.811 -0.678 7.558 1.00 0.00 C ATOM 127 CG2 VAL A 9 -8.800 -2.934 7.912 1.00 0.00 C ATOM 0 H VAL A 9 -7.099 -2.223 10.044 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.097 -0.879 7.457 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.245 -1.487 9.461 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.795 -1.146 7.553 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.893 0.335 7.952 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.422 -0.642 6.541 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.806 -3.354 7.885 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.379 -2.935 6.907 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.173 -3.537 8.569 1.00 0.00 H new ATOM 137 N LEU A 10 -6.980 1.493 8.307 1.00 0.00 N ATOM 138 CA LEU A 10 -6.788 2.869 8.737 1.00 0.00 C ATOM 139 C LEU A 10 -7.666 3.740 7.845 1.00 0.00 C ATOM 140 O LEU A 10 -7.726 3.508 6.635 1.00 0.00 O ATOM 141 CB LEU A 10 -5.313 3.276 8.568 1.00 0.00 C ATOM 142 CG LEU A 10 -4.273 2.437 9.331 1.00 0.00 C ATOM 143 CD1 LEU A 10 -2.875 2.753 8.795 1.00 0.00 C ATOM 144 CD2 LEU A 10 -4.302 2.702 10.837 1.00 0.00 C ATOM 0 H LEU A 10 -6.707 1.339 7.336 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.054 2.986 9.788 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.069 3.237 7.506 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.209 4.315 8.881 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.521 1.387 9.174 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.136 2.160 9.334 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.829 2.512 7.733 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.662 3.813 8.936 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.550 2.086 11.329 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.089 3.754 11.025 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.288 2.455 11.231 1.00 0.00 H new ATOM 156 N GLN A 11 -8.326 4.744 8.423 1.00 0.00 N ATOM 157 CA GLN A 11 -9.132 5.683 7.647 1.00 0.00 C ATOM 158 C GLN A 11 -8.243 6.500 6.713 1.00 0.00 C ATOM 159 O GLN A 11 -7.242 7.060 7.154 1.00 0.00 O ATOM 160 CB GLN A 11 -9.885 6.644 8.572 1.00 0.00 C ATOM 161 CG GLN A 11 -11.121 6.006 9.202 1.00 0.00 C ATOM 162 CD GLN A 11 -12.243 7.026 9.291 1.00 0.00 C ATOM 163 OE1 GLN A 11 -12.201 7.968 10.075 1.00 0.00 O ATOM 164 NE2 GLN A 11 -13.244 6.896 8.447 1.00 0.00 N ATOM 0 H GLN A 11 -8.317 4.927 9.426 1.00 0.00 H new ATOM 0 HA GLN A 11 -9.848 5.104 7.064 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.214 6.983 9.361 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -10.184 7.527 8.007 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -11.442 5.151 8.607 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.880 5.630 10.196 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.267 6.108 7.800 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -13.997 7.584 8.440 1.00 0.00 H new ATOM 173 N VAL A 12 -8.627 6.656 5.446 1.00 0.00 N ATOM 174 CA VAL A 12 -7.834 7.404 4.480 1.00 0.00 C ATOM 175 C VAL A 12 -7.717 8.881 4.872 1.00 0.00 C ATOM 176 O VAL A 12 -6.763 9.539 4.459 1.00 0.00 O ATOM 177 CB VAL A 12 -8.379 7.180 3.057 1.00 0.00 C ATOM 178 CG1 VAL A 12 -9.731 7.839 2.772 1.00 0.00 C ATOM 179 CG2 VAL A 12 -7.376 7.631 1.992 1.00 0.00 C ATOM 0 H VAL A 12 -9.491 6.269 5.066 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.812 7.025 4.486 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.535 6.102 3.005 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.031 7.625 1.746 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.480 7.445 3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.646 8.917 2.908 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.795 7.458 1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.166 8.693 2.117 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.452 7.064 2.099 1.00 0.00 H new ATOM 189 N ARG A 13 -8.637 9.413 5.691 1.00 0.00 N ATOM 190 CA ARG A 13 -8.474 10.759 6.232 1.00 0.00 C ATOM 191 C ARG A 13 -7.269 10.805 7.162 1.00 0.00 C ATOM 192 O ARG A 13 -6.415 11.671 6.998 1.00 0.00 O ATOM 193 CB ARG A 13 -9.748 11.301 6.915 1.00 0.00 C ATOM 194 CG ARG A 13 -10.562 10.299 7.747 1.00 0.00 C ATOM 195 CD ARG A 13 -11.493 10.971 8.767 1.00 0.00 C ATOM 196 NE ARG A 13 -10.881 10.940 10.104 1.00 0.00 N ATOM 197 CZ ARG A 13 -11.482 10.761 11.284 1.00 0.00 C ATOM 198 NH1 ARG A 13 -12.777 11.000 11.463 1.00 0.00 N ATOM 199 NH2 ARG A 13 -10.739 10.326 12.292 1.00 0.00 N ATOM 0 H ARG A 13 -9.488 8.935 5.986 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.294 11.427 5.389 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.461 12.128 7.564 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.399 11.712 6.144 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.157 9.679 7.076 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.878 9.634 8.273 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.687 12.002 8.471 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.455 10.459 8.786 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.870 11.072 10.134 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.347 11.332 10.685 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.201 10.852 12.379 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.746 10.141 12.151 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.160 10.177 13.209 1.00 0.00 H new ATOM 213 N ASP A 14 -7.186 9.842 8.077 1.00 0.00 N ATOM 214 CA ASP A 14 -6.222 9.816 9.169 1.00 0.00 C ATOM 215 C ASP A 14 -4.815 9.652 8.620 1.00 0.00 C ATOM 216 O ASP A 14 -3.861 10.305 9.055 1.00 0.00 O ATOM 217 CB ASP A 14 -6.535 8.647 10.117 1.00 0.00 C ATOM 218 CG ASP A 14 -7.520 9.039 11.215 1.00 0.00 C ATOM 219 OD1 ASP A 14 -8.370 9.929 10.970 1.00 0.00 O ATOM 220 OD2 ASP A 14 -7.435 8.478 12.323 1.00 0.00 O ATOM 0 H ASP A 14 -7.808 9.034 8.077 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.289 10.757 9.716 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.946 7.817 9.543 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.610 8.293 10.572 1.00 0.00 H new ATOM 225 N VAL A 15 -4.731 8.758 7.643 1.00 0.00 N ATOM 226 CA VAL A 15 -3.634 8.415 6.766 1.00 0.00 C ATOM 227 C VAL A 15 -3.241 9.615 5.925 1.00 0.00 C ATOM 228 O VAL A 15 -3.541 9.651 4.747 1.00 0.00 O ATOM 229 CB VAL A 15 -3.979 7.172 5.921 1.00 0.00 C ATOM 230 CG1 VAL A 15 -2.807 6.686 5.077 1.00 0.00 C ATOM 231 CG2 VAL A 15 -4.396 5.954 6.768 1.00 0.00 C ATOM 0 H VAL A 15 -5.545 8.183 7.424 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.762 8.147 7.363 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.805 7.519 5.299 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.110 5.809 4.504 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.498 7.477 4.393 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.973 6.424 5.729 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.625 5.115 6.111 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.580 5.679 7.437 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.278 6.205 7.357 1.00 0.00 H new ATOM 241 N LEU A 16 -2.752 10.688 6.525 1.00 0.00 N ATOM 242 CA LEU A 16 -2.116 11.764 5.784 1.00 0.00 C ATOM 243 C LEU A 16 -1.164 11.268 4.691 1.00 0.00 C ATOM 244 O LEU A 16 -1.239 11.807 3.592 1.00 0.00 O ATOM 245 CB LEU A 16 -1.363 12.659 6.761 1.00 0.00 C ATOM 246 CG LEU A 16 -2.293 13.582 7.562 1.00 0.00 C ATOM 247 CD1 LEU A 16 -1.515 14.308 8.661 1.00 0.00 C ATOM 248 CD2 LEU A 16 -3.011 14.612 6.683 1.00 0.00 C ATOM 0 H LEU A 16 -2.784 10.837 7.534 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.904 12.319 5.275 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.794 12.037 7.452 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.643 13.265 6.211 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.053 12.939 8.006 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.191 14.957 9.217 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.074 13.577 9.339 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.724 14.908 8.211 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.654 15.236 7.304 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.274 15.238 6.180 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.617 14.096 5.938 1.00 0.00 H new ATOM 260 N VAL A 17 -0.318 10.262 4.954 1.00 0.00 N ATOM 261 CA VAL A 17 0.663 9.754 3.990 1.00 0.00 C ATOM 262 C VAL A 17 0.127 8.481 3.331 1.00 0.00 C ATOM 263 O VAL A 17 0.149 7.383 3.887 1.00 0.00 O ATOM 264 CB VAL A 17 2.086 9.657 4.596 1.00 0.00 C ATOM 265 CG1 VAL A 17 2.125 9.037 6.000 1.00 0.00 C ATOM 266 CG2 VAL A 17 3.076 8.954 3.657 1.00 0.00 C ATOM 0 H VAL A 17 -0.297 9.775 5.850 1.00 0.00 H new ATOM 0 HA VAL A 17 0.795 10.472 3.180 1.00 0.00 H new ATOM 0 HB VAL A 17 2.407 10.692 4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.155 9.004 6.355 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.526 9.641 6.681 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.722 8.025 5.962 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.058 8.912 4.129 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.728 7.941 3.453 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.146 9.509 2.721 1.00 0.00 H new ATOM 276 N ARG A 18 -0.409 8.654 2.129 1.00 0.00 N ATOM 277 CA ARG A 18 -1.098 7.671 1.306 1.00 0.00 C ATOM 278 C ARG A 18 -0.225 7.157 0.171 1.00 0.00 C ATOM 279 O ARG A 18 -0.743 6.480 -0.722 1.00 0.00 O ATOM 280 CB ARG A 18 -2.326 8.359 0.725 1.00 0.00 C ATOM 281 CG ARG A 18 -3.283 8.808 1.827 1.00 0.00 C ATOM 282 CD ARG A 18 -3.684 10.268 1.658 1.00 0.00 C ATOM 283 NE ARG A 18 -4.764 10.668 2.563 1.00 0.00 N ATOM 284 CZ ARG A 18 -4.991 11.921 2.963 1.00 0.00 C ATOM 285 NH1 ARG A 18 -4.408 12.950 2.366 1.00 0.00 N ATOM 286 NH2 ARG A 18 -5.809 12.144 3.984 1.00 0.00 N ATOM 0 H ARG A 18 -0.369 9.563 1.667 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.361 6.809 1.920 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.017 9.222 0.135 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.841 7.678 0.048 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.174 8.181 1.814 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.810 8.670 2.799 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.815 10.902 1.834 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.998 10.437 0.628 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.386 9.938 2.912 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.772 12.793 1.585 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.596 13.900 2.688 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.259 11.361 4.457 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.987 13.099 4.295 1.00 0.00 H new ATOM 300 N GLY A 19 1.053 7.523 0.146 1.00 0.00 N ATOM 301 CA GLY A 19 2.019 7.003 -0.793 1.00 0.00 C ATOM 302 C GLY A 19 3.219 6.496 -0.011 1.00 0.00 C ATOM 303 O GLY A 19 3.634 7.148 0.947 1.00 0.00 O ATOM 0 H GLY A 19 1.446 8.204 0.795 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.581 6.197 -1.381 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.323 7.780 -1.494 1.00 0.00 H new ATOM 307 N PHE A 20 3.792 5.365 -0.417 1.00 0.00 N ATOM 308 CA PHE A 20 5.115 4.942 0.030 1.00 0.00 C ATOM 309 C PHE A 20 6.227 5.612 -0.790 1.00 0.00 C ATOM 310 O PHE A 20 7.383 5.575 -0.376 1.00 0.00 O ATOM 311 CB PHE A 20 5.267 3.426 -0.096 1.00 0.00 C ATOM 312 CG PHE A 20 4.406 2.569 0.800 1.00 0.00 C ATOM 313 CD1 PHE A 20 4.734 2.413 2.158 1.00 0.00 C ATOM 314 CD2 PHE A 20 3.325 1.857 0.255 1.00 0.00 C ATOM 315 CE1 PHE A 20 3.973 1.551 2.963 1.00 0.00 C ATOM 316 CE2 PHE A 20 2.545 1.020 1.067 1.00 0.00 C ATOM 317 CZ PHE A 20 2.870 0.871 2.425 1.00 0.00 C ATOM 0 H PHE A 20 3.350 4.715 -1.067 1.00 0.00 H new ATOM 0 HA PHE A 20 5.209 5.242 1.074 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.058 3.150 -1.130 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.310 3.174 0.096 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.568 2.954 2.580 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.093 1.954 -0.795 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.238 1.411 4.001 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.699 0.493 0.650 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.270 0.232 3.056 1.00 0.00 H new ATOM 327 N GLY A 21 5.899 6.208 -1.937 1.00 0.00 N ATOM 328 CA GLY A 21 6.809 6.973 -2.768 1.00 0.00 C ATOM 329 C GLY A 21 6.011 7.750 -3.794 1.00 0.00 C ATOM 330 O GLY A 21 4.783 7.606 -3.878 1.00 0.00 O ATOM 0 H GLY A 21 4.955 6.165 -2.321 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.396 7.655 -2.153 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.513 6.307 -3.266 1.00 0.00 H new ATOM 334 N ASP A 22 6.727 8.550 -4.578 1.00 0.00 N ATOM 335 CA ASP A 22 6.170 9.344 -5.657 1.00 0.00 C ATOM 336 C ASP A 22 6.003 8.543 -6.944 1.00 0.00 C ATOM 337 O ASP A 22 5.121 8.863 -7.747 1.00 0.00 O ATOM 338 CB ASP A 22 7.053 10.566 -5.926 1.00 0.00 C ATOM 339 CG ASP A 22 6.541 11.374 -7.120 1.00 0.00 C ATOM 340 OD1 ASP A 22 5.544 12.120 -6.970 1.00 0.00 O ATOM 341 OD2 ASP A 22 7.144 11.267 -8.210 1.00 0.00 O ATOM 0 H ASP A 22 7.735 8.664 -4.474 1.00 0.00 H new ATOM 0 HA ASP A 22 5.179 9.664 -5.336 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.079 11.200 -5.040 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.076 10.242 -6.116 1.00 0.00 H new ATOM 346 N SER A 23 6.771 7.465 -7.119 1.00 0.00 N ATOM 347 CA SER A 23 6.765 6.653 -8.332 1.00 0.00 C ATOM 348 C SER A 23 6.356 5.201 -8.067 1.00 0.00 C ATOM 349 O SER A 23 6.424 4.716 -6.936 1.00 0.00 O ATOM 350 CB SER A 23 8.136 6.761 -8.980 1.00 0.00 C ATOM 351 OG SER A 23 8.384 8.097 -9.375 1.00 0.00 O ATOM 0 H SER A 23 7.423 7.129 -6.410 1.00 0.00 H new ATOM 0 HA SER A 23 6.007 7.033 -9.017 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.904 6.432 -8.280 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.190 6.102 -9.846 1.00 0.00 H new ATOM 0 HG SER A 23 9.270 8.156 -9.790 1.00 0.00 H new ATOM 357 N VAL A 24 5.905 4.505 -9.115 1.00 0.00 N ATOM 358 CA VAL A 24 5.348 3.151 -9.027 1.00 0.00 C ATOM 359 C VAL A 24 6.371 2.207 -8.446 1.00 0.00 C ATOM 360 O VAL A 24 6.067 1.437 -7.533 1.00 0.00 O ATOM 361 CB VAL A 24 4.878 2.697 -10.424 1.00 0.00 C ATOM 362 CG1 VAL A 24 4.431 1.240 -10.526 1.00 0.00 C ATOM 363 CG2 VAL A 24 3.694 3.564 -10.815 1.00 0.00 C ATOM 0 H VAL A 24 5.917 4.873 -10.066 1.00 0.00 H new ATOM 0 HA VAL A 24 4.485 3.148 -8.362 1.00 0.00 H new ATOM 0 HB VAL A 24 5.743 2.797 -11.080 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.121 1.025 -11.549 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.259 0.586 -10.253 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.594 1.068 -9.849 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.336 3.268 -11.801 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.894 3.438 -10.086 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.001 4.610 -10.839 1.00 0.00 H new ATOM 373 N GLU A 25 7.569 2.246 -9.015 1.00 0.00 N ATOM 374 CA GLU A 25 8.567 1.273 -8.679 1.00 0.00 C ATOM 375 C GLU A 25 9.041 1.476 -7.247 1.00 0.00 C ATOM 376 O GLU A 25 9.122 0.505 -6.494 1.00 0.00 O ATOM 377 CB GLU A 25 9.706 1.364 -9.685 1.00 0.00 C ATOM 378 CG GLU A 25 9.388 0.597 -10.969 1.00 0.00 C ATOM 379 CD GLU A 25 10.588 -0.258 -11.346 1.00 0.00 C ATOM 380 OE1 GLU A 25 10.756 -1.347 -10.757 1.00 0.00 O ATOM 381 OE2 GLU A 25 11.392 0.164 -12.206 1.00 0.00 O ATOM 0 H GLU A 25 7.859 2.940 -9.704 1.00 0.00 H new ATOM 0 HA GLU A 25 8.148 0.268 -8.732 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.898 2.410 -9.924 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.618 0.966 -9.240 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.509 -0.031 -10.824 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.154 1.293 -11.775 1.00 0.00 H new ATOM 388 N GLU A 26 9.262 2.735 -6.867 1.00 0.00 N ATOM 389 CA GLU A 26 9.588 3.168 -5.517 1.00 0.00 C ATOM 390 C GLU A 26 8.562 2.579 -4.557 1.00 0.00 C ATOM 391 O GLU A 26 8.904 1.802 -3.669 1.00 0.00 O ATOM 392 CB GLU A 26 9.557 4.702 -5.439 1.00 0.00 C ATOM 393 CG GLU A 26 10.754 5.420 -6.069 1.00 0.00 C ATOM 394 CD GLU A 26 11.316 4.805 -7.352 1.00 0.00 C ATOM 395 OE1 GLU A 26 10.793 5.111 -8.441 1.00 0.00 O ATOM 396 OE2 GLU A 26 12.326 4.063 -7.303 1.00 0.00 O ATOM 0 H GLU A 26 9.215 3.512 -7.526 1.00 0.00 H new ATOM 0 HA GLU A 26 10.587 2.826 -5.248 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.647 5.055 -5.925 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.492 4.994 -4.391 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.462 6.448 -6.282 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.555 5.462 -5.331 1.00 0.00 H new ATOM 403 N ALA A 27 7.292 2.915 -4.773 1.00 0.00 N ATOM 404 CA ALA A 27 6.221 2.647 -3.843 1.00 0.00 C ATOM 405 C ALA A 27 6.054 1.152 -3.611 1.00 0.00 C ATOM 406 O ALA A 27 5.884 0.730 -2.470 1.00 0.00 O ATOM 407 CB ALA A 27 4.933 3.256 -4.384 1.00 0.00 C ATOM 0 H ALA A 27 6.982 3.391 -5.620 1.00 0.00 H new ATOM 0 HA ALA A 27 6.463 3.098 -2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.117 3.059 -3.688 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.060 4.332 -4.499 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.699 2.813 -5.352 1.00 0.00 H new ATOM 413 N LEU A 28 6.107 0.341 -4.672 1.00 0.00 N ATOM 414 CA LEU A 28 6.019 -1.105 -4.545 1.00 0.00 C ATOM 415 C LEU A 28 7.175 -1.643 -3.697 1.00 0.00 C ATOM 416 O LEU A 28 6.973 -2.514 -2.853 1.00 0.00 O ATOM 417 CB LEU A 28 6.021 -1.743 -5.943 1.00 0.00 C ATOM 418 CG LEU A 28 4.995 -2.880 -6.069 1.00 0.00 C ATOM 419 CD1 LEU A 28 5.028 -3.465 -7.482 1.00 0.00 C ATOM 420 CD2 LEU A 28 5.180 -4.014 -5.060 1.00 0.00 C ATOM 0 H LEU A 28 6.211 0.671 -5.632 1.00 0.00 H new ATOM 0 HA LEU A 28 5.089 -1.365 -4.040 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.805 -0.978 -6.689 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.016 -2.130 -6.162 1.00 0.00 H new ATOM 0 HG LEU A 28 4.030 -2.422 -5.852 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.297 -4.270 -7.560 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.787 -2.685 -8.204 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.023 -3.858 -7.690 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.414 -4.773 -5.221 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.166 -4.460 -5.191 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.092 -3.619 -4.048 1.00 0.00 H new ATOM 432 N SER A 29 8.387 -1.144 -3.927 1.00 0.00 N ATOM 433 CA SER A 29 9.594 -1.566 -3.229 1.00 0.00 C ATOM 434 C SER A 29 9.491 -1.268 -1.733 1.00 0.00 C ATOM 435 O SER A 29 9.643 -2.162 -0.900 1.00 0.00 O ATOM 436 CB SER A 29 10.790 -0.831 -3.833 1.00 0.00 C ATOM 437 OG SER A 29 10.837 -0.997 -5.244 1.00 0.00 O ATOM 0 H SER A 29 8.559 -0.417 -4.622 1.00 0.00 H new ATOM 0 HA SER A 29 9.720 -2.642 -3.345 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.728 0.230 -3.591 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.712 -1.206 -3.389 1.00 0.00 H new ATOM 0 HG SER A 29 10.487 -0.192 -5.680 1.00 0.00 H new ATOM 443 N GLU A 30 9.188 -0.015 -1.416 1.00 0.00 N ATOM 444 CA GLU A 30 9.032 0.510 -0.074 1.00 0.00 C ATOM 445 C GLU A 30 7.908 -0.210 0.648 1.00 0.00 C ATOM 446 O GLU A 30 8.024 -0.472 1.841 1.00 0.00 O ATOM 447 CB GLU A 30 8.569 1.957 -0.217 1.00 0.00 C ATOM 448 CG GLU A 30 9.550 2.948 -0.834 1.00 0.00 C ATOM 449 CD GLU A 30 10.397 3.703 0.186 1.00 0.00 C ATOM 450 OE1 GLU A 30 10.192 3.569 1.415 1.00 0.00 O ATOM 451 OE2 GLU A 30 11.321 4.428 -0.249 1.00 0.00 O ATOM 0 H GLU A 30 9.037 0.697 -2.131 1.00 0.00 H new ATOM 0 HA GLU A 30 9.970 0.398 0.471 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.661 1.962 -0.819 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.297 2.323 0.773 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.212 2.412 -1.514 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.993 3.669 -1.433 1.00 0.00 H new ATOM 458 N ALA A 31 6.815 -0.518 -0.055 1.00 0.00 N ATOM 459 CA ALA A 31 5.710 -1.268 0.496 1.00 0.00 C ATOM 460 C ALA A 31 6.245 -2.600 0.991 1.00 0.00 C ATOM 461 O ALA A 31 6.146 -2.866 2.182 1.00 0.00 O ATOM 462 CB ALA A 31 4.612 -1.413 -0.550 1.00 0.00 C ATOM 0 H ALA A 31 6.682 -0.247 -1.029 1.00 0.00 H new ATOM 0 HA ALA A 31 5.258 -0.751 1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.781 -1.979 -0.129 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.263 -0.425 -0.850 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.006 -1.938 -1.420 1.00 0.00 H new ATOM 468 N ARG A 32 6.891 -3.407 0.141 1.00 0.00 N ATOM 469 CA ARG A 32 7.508 -4.680 0.553 1.00 0.00 C ATOM 470 C ARG A 32 8.384 -4.489 1.782 1.00 0.00 C ATOM 471 O ARG A 32 8.437 -5.376 2.636 1.00 0.00 O ATOM 472 CB ARG A 32 8.351 -5.259 -0.598 1.00 0.00 C ATOM 473 CG ARG A 32 7.577 -5.522 -1.895 1.00 0.00 C ATOM 474 CD ARG A 32 8.483 -5.483 -3.132 1.00 0.00 C ATOM 475 NE ARG A 32 8.748 -6.837 -3.629 1.00 0.00 N ATOM 476 CZ ARG A 32 9.745 -7.645 -3.273 1.00 0.00 C ATOM 477 NH1 ARG A 32 10.751 -7.225 -2.515 1.00 0.00 N ATOM 478 NH2 ARG A 32 9.720 -8.902 -3.680 1.00 0.00 N ATOM 0 H ARG A 32 7.002 -3.199 -0.851 1.00 0.00 H new ATOM 0 HA ARG A 32 6.708 -5.377 0.802 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.168 -4.570 -0.813 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.801 -6.194 -0.265 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.091 -6.496 -1.834 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.788 -4.778 -2.002 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.011 -4.890 -3.915 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.424 -4.992 -2.883 1.00 0.00 H new ATOM 0 HE ARG A 32 8.096 -7.200 -4.325 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.775 -6.259 -2.188 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.500 -7.868 -2.259 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.947 -9.236 -4.255 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.474 -9.538 -3.419 1.00 0.00 H new ATOM 492 N GLU A 33 9.060 -3.354 1.875 1.00 0.00 N ATOM 493 CA GLU A 33 9.889 -3.000 3.003 1.00 0.00 C ATOM 494 C GLU A 33 9.068 -2.716 4.278 1.00 0.00 C ATOM 495 O GLU A 33 9.377 -3.228 5.359 1.00 0.00 O ATOM 496 CB GLU A 33 10.789 -1.820 2.561 1.00 0.00 C ATOM 497 CG GLU A 33 12.239 -2.275 2.421 1.00 0.00 C ATOM 498 CD GLU A 33 13.158 -1.327 1.649 1.00 0.00 C ATOM 499 OE1 GLU A 33 13.165 -1.394 0.398 1.00 0.00 O ATOM 500 OE2 GLU A 33 13.961 -0.613 2.301 1.00 0.00 O ATOM 0 H GLU A 33 9.043 -2.640 1.147 1.00 0.00 H new ATOM 0 HA GLU A 33 10.519 -3.841 3.291 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.434 -1.421 1.611 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.724 -1.013 3.290 1.00 0.00 H new ATOM 0 HG2 GLU A 33 12.653 -2.421 3.419 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.250 -3.246 1.926 1.00 0.00 H new ATOM 507 N HIS A 34 7.969 -1.967 4.182 1.00 0.00 N ATOM 508 CA HIS A 34 7.141 -1.635 5.334 1.00 0.00 C ATOM 509 C HIS A 34 6.381 -2.886 5.760 1.00 0.00 C ATOM 510 O HIS A 34 6.178 -3.117 6.945 1.00 0.00 O ATOM 511 CB HIS A 34 6.186 -0.479 5.000 1.00 0.00 C ATOM 512 CG HIS A 34 6.866 0.872 4.951 1.00 0.00 C ATOM 513 ND1 HIS A 34 7.819 1.264 4.039 1.00 0.00 N ATOM 514 CD2 HIS A 34 6.639 1.936 5.784 1.00 0.00 C ATOM 515 CE1 HIS A 34 8.169 2.528 4.321 1.00 0.00 C ATOM 516 NE2 HIS A 34 7.495 2.978 5.402 1.00 0.00 N ATOM 0 H HIS A 34 7.631 -1.575 3.303 1.00 0.00 H new ATOM 0 HA HIS A 34 7.767 -1.299 6.161 1.00 0.00 H new ATOM 0 HB2 HIS A 34 5.715 -0.675 4.037 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.390 -0.449 5.744 1.00 0.00 H new ATOM 0 HD1 HIS A 34 8.194 0.693 3.281 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.925 1.966 6.594 1.00 0.00 H new ATOM 0 HE1 HIS A 34 8.890 3.106 3.761 1.00 0.00 H new ATOM 524 N LEU A 35 6.014 -3.750 4.813 1.00 0.00 N ATOM 525 CA LEU A 35 5.404 -5.040 5.074 1.00 0.00 C ATOM 526 C LEU A 35 6.347 -5.985 5.816 1.00 0.00 C ATOM 527 O LEU A 35 5.866 -6.778 6.627 1.00 0.00 O ATOM 528 CB LEU A 35 4.932 -5.671 3.757 1.00 0.00 C ATOM 529 CG LEU A 35 3.545 -5.164 3.322 1.00 0.00 C ATOM 530 CD1 LEU A 35 3.503 -3.964 2.389 1.00 0.00 C ATOM 531 CD2 LEU A 35 2.833 -6.298 2.597 1.00 0.00 C ATOM 0 H LEU A 35 6.139 -3.560 3.819 1.00 0.00 H new ATOM 0 HA LEU A 35 4.545 -4.875 5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.657 -5.452 2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.900 -6.755 3.868 1.00 0.00 H new ATOM 0 HG LEU A 35 3.078 -4.836 4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.466 -3.714 2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.985 -3.113 2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.027 -4.204 1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.846 -5.963 2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.415 -6.594 1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.728 -7.150 3.269 1.00 0.00 H new ATOM 543 N LYS A 36 7.666 -5.919 5.593 1.00 0.00 N ATOM 544 CA LYS A 36 8.631 -6.665 6.396 1.00 0.00 C ATOM 545 C LYS A 36 8.543 -6.229 7.850 1.00 0.00 C ATOM 546 O LYS A 36 8.540 -7.077 8.744 1.00 0.00 O ATOM 547 CB LYS A 36 10.061 -6.436 5.863 1.00 0.00 C ATOM 548 CG LYS A 36 10.719 -7.724 5.367 1.00 0.00 C ATOM 549 CD LYS A 36 10.155 -8.136 4.012 1.00 0.00 C ATOM 550 CE LYS A 36 10.813 -7.307 2.911 1.00 0.00 C ATOM 551 NZ LYS A 36 10.120 -7.500 1.633 1.00 0.00 N ATOM 0 H LYS A 36 8.087 -5.351 4.857 1.00 0.00 H new ATOM 0 HA LYS A 36 8.397 -7.727 6.327 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.029 -5.712 5.049 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.673 -6.001 6.653 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.797 -7.580 5.288 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.556 -8.522 6.091 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.335 -9.197 3.839 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.075 -7.989 3.996 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.796 -6.252 3.184 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.860 -7.593 2.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.715 -7.144 0.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.934 -8.513 1.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.219 -6.981 1.645 1.00 0.00 H new ATOM 565 N ASN A 37 8.474 -4.919 8.077 1.00 0.00 N ATOM 566 CA ASN A 37 8.454 -4.325 9.409 1.00 0.00 C ATOM 567 C ASN A 37 7.059 -4.379 10.044 1.00 0.00 C ATOM 568 O ASN A 37 6.931 -4.199 11.250 1.00 0.00 O ATOM 569 CB ASN A 37 8.945 -2.874 9.318 1.00 0.00 C ATOM 570 CG ASN A 37 10.437 -2.794 9.046 1.00 0.00 C ATOM 571 OD1 ASN A 37 11.234 -2.671 9.969 1.00 0.00 O ATOM 572 ND2 ASN A 37 10.870 -2.878 7.804 1.00 0.00 N ATOM 0 H ASN A 37 8.430 -4.230 7.326 1.00 0.00 H new ATOM 0 HA ASN A 37 9.117 -4.904 10.052 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.404 -2.357 8.525 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.718 -2.355 10.249 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.871 -2.841 7.609 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.205 -2.980 7.038 1.00 0.00 H new ATOM 579 N GLY A 38 6.010 -4.609 9.251 1.00 0.00 N ATOM 580 CA GLY A 38 4.615 -4.523 9.662 1.00 0.00 C ATOM 581 C GLY A 38 4.091 -3.084 9.709 1.00 0.00 C ATOM 582 O GLY A 38 2.950 -2.872 10.118 1.00 0.00 O ATOM 0 H GLY A 38 6.117 -4.869 8.271 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.003 -5.104 8.973 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.504 -4.976 10.647 1.00 0.00 H new ATOM 586 N THR A 39 4.860 -2.096 9.254 1.00 0.00 N ATOM 587 CA THR A 39 4.553 -0.668 9.298 1.00 0.00 C ATOM 588 C THR A 39 3.688 -0.270 8.096 1.00 0.00 C ATOM 589 O THR A 39 3.847 0.783 7.482 1.00 0.00 O ATOM 590 CB THR A 39 5.888 0.093 9.417 1.00 0.00 C ATOM 591 OG1 THR A 39 6.813 -0.247 8.400 1.00 0.00 O ATOM 592 CG2 THR A 39 6.550 -0.300 10.739 1.00 0.00 C ATOM 0 H THR A 39 5.765 -2.281 8.821 1.00 0.00 H new ATOM 0 HA THR A 39 3.949 -0.404 10.166 1.00 0.00 H new ATOM 0 HB THR A 39 5.653 1.155 9.343 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.639 0.266 8.524 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.498 0.228 10.843 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.894 -0.034 11.568 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.731 -1.375 10.750 1.00 0.00 H new ATOM 600 N CYS A 40 2.740 -1.133 7.743 1.00 0.00 N ATOM 601 CA CYS A 40 1.880 -1.037 6.587 1.00 0.00 C ATOM 602 C CYS A 40 0.457 -1.297 7.073 1.00 0.00 C ATOM 603 O CYS A 40 0.252 -2.236 7.848 1.00 0.00 O ATOM 604 CB CYS A 40 2.350 -2.084 5.575 1.00 0.00 C ATOM 605 SG CYS A 40 1.296 -2.023 4.114 1.00 0.00 S ATOM 0 H CYS A 40 2.547 -1.967 8.297 1.00 0.00 H new ATOM 0 HA CYS A 40 1.912 -0.061 6.102 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.387 -1.896 5.297 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.315 -3.078 6.021 1.00 0.00 H new ATOM 0 HG CYS A 40 2.018 -1.743 3.070 1.00 0.00 H new ATOM 611 N GLY A 41 -0.487 -0.469 6.626 1.00 0.00 N ATOM 612 CA GLY A 41 -1.914 -0.521 6.888 1.00 0.00 C ATOM 613 C GLY A 41 -2.700 -0.534 5.572 1.00 0.00 C ATOM 614 O GLY A 41 -2.098 -0.471 4.496 1.00 0.00 O ATOM 0 H GLY A 41 -0.247 0.318 6.022 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.151 -1.412 7.469 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.211 0.339 7.488 1.00 0.00 H new ATOM 618 N LEU A 42 -4.034 -0.626 5.632 1.00 0.00 N ATOM 619 CA LEU A 42 -4.898 -0.836 4.465 1.00 0.00 C ATOM 620 C LEU A 42 -6.068 0.142 4.416 1.00 0.00 C ATOM 621 O LEU A 42 -7.016 0.027 5.198 1.00 0.00 O ATOM 622 CB LEU A 42 -5.445 -2.273 4.451 1.00 0.00 C ATOM 623 CG LEU A 42 -6.207 -2.592 3.145 1.00 0.00 C ATOM 624 CD1 LEU A 42 -5.264 -2.723 1.950 1.00 0.00 C ATOM 625 CD2 LEU A 42 -7.022 -3.875 3.308 1.00 0.00 C ATOM 0 H LEU A 42 -4.552 -0.555 6.508 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.277 -0.661 3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.620 -2.976 4.570 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.110 -2.416 5.303 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.878 -1.756 2.948 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.842 -2.947 1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.724 -1.787 1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.553 -3.528 2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.554 -4.088 2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.353 -4.704 3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.741 -3.749 4.118 1.00 0.00 H new ATOM 637 N VAL A 43 -6.050 1.036 3.434 1.00 0.00 N ATOM 638 CA VAL A 43 -7.185 1.845 3.025 1.00 0.00 C ATOM 639 C VAL A 43 -8.097 0.994 2.136 1.00 0.00 C ATOM 640 O VAL A 43 -7.628 0.260 1.264 1.00 0.00 O ATOM 641 CB VAL A 43 -6.630 3.124 2.354 1.00 0.00 C ATOM 642 CG1 VAL A 43 -7.636 3.855 1.461 1.00 0.00 C ATOM 643 CG2 VAL A 43 -6.115 4.086 3.436 1.00 0.00 C ATOM 0 H VAL A 43 -5.212 1.222 2.883 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.806 2.171 3.860 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.824 2.796 1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.165 4.739 1.031 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.961 3.191 0.660 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.499 4.156 2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.724 4.988 2.965 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.933 4.352 4.105 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.323 3.601 4.006 1.00 0.00 H new ATOM 653 N GLU A 44 -9.410 1.053 2.379 1.00 0.00 N ATOM 654 CA GLU A 44 -10.406 0.447 1.501 1.00 0.00 C ATOM 655 C GLU A 44 -10.438 1.188 0.171 1.00 0.00 C ATOM 656 O GLU A 44 -10.233 2.398 0.124 1.00 0.00 O ATOM 657 CB GLU A 44 -11.798 0.543 2.141 1.00 0.00 C ATOM 658 CG GLU A 44 -11.977 -0.461 3.276 1.00 0.00 C ATOM 659 CD GLU A 44 -13.292 -0.215 4.023 1.00 0.00 C ATOM 660 OE1 GLU A 44 -13.342 0.706 4.866 1.00 0.00 O ATOM 661 OE2 GLU A 44 -14.278 -0.954 3.782 1.00 0.00 O ATOM 0 H GLU A 44 -9.809 1.523 3.191 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.140 -0.598 1.344 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.953 1.552 2.522 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.559 0.370 1.380 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.966 -1.475 2.875 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.140 -0.384 3.970 1.00 0.00 H new ATOM 668 N LEU A 45 -10.774 0.478 -0.904 1.00 0.00 N ATOM 669 CA LEU A 45 -11.166 1.129 -2.142 1.00 0.00 C ATOM 670 C LEU A 45 -12.629 1.515 -2.015 1.00 0.00 C ATOM 671 O LEU A 45 -13.498 0.642 -1.990 1.00 0.00 O ATOM 672 CB LEU A 45 -10.921 0.219 -3.354 1.00 0.00 C ATOM 673 CG LEU A 45 -9.501 0.438 -3.896 1.00 0.00 C ATOM 674 CD1 LEU A 45 -9.104 -0.731 -4.798 1.00 0.00 C ATOM 675 CD2 LEU A 45 -9.413 1.749 -4.693 1.00 0.00 C ATOM 0 H LEU A 45 -10.781 -0.541 -0.939 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.561 2.020 -2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.053 -0.825 -3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.653 0.432 -4.133 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.819 0.499 -3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.096 -0.570 -5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.132 -1.658 -4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.801 -0.799 -5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.397 1.881 -5.066 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.106 1.711 -5.533 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.673 2.586 -4.046 1.00 0.00 H new ATOM 687 N GLU A 46 -12.889 2.817 -1.969 1.00 0.00 N ATOM 688 CA GLU A 46 -14.201 3.414 -2.160 1.00 0.00 C ATOM 689 C GLU A 46 -14.130 4.339 -3.380 1.00 0.00 C ATOM 690 O GLU A 46 -13.180 4.263 -4.167 1.00 0.00 O ATOM 691 CB GLU A 46 -14.661 4.190 -0.925 1.00 0.00 C ATOM 692 CG GLU A 46 -14.591 3.470 0.425 1.00 0.00 C ATOM 693 CD GLU A 46 -15.131 4.365 1.547 1.00 0.00 C ATOM 694 OE1 GLU A 46 -15.693 5.455 1.252 1.00 0.00 O ATOM 695 OE2 GLU A 46 -15.013 3.970 2.724 1.00 0.00 O ATOM 0 H GLU A 46 -12.162 3.510 -1.791 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.933 2.623 -2.321 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -14.061 5.097 -0.854 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -15.693 4.502 -1.088 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -15.168 2.547 0.380 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.560 3.191 0.641 1.00 0.00 H new ATOM 702 N LYS A 47 -15.151 5.173 -3.596 1.00 0.00 N ATOM 703 CA LYS A 47 -15.225 6.036 -4.768 1.00 0.00 C ATOM 704 C LYS A 47 -14.356 7.282 -4.602 1.00 0.00 C ATOM 705 O LYS A 47 -13.642 7.633 -5.539 1.00 0.00 O ATOM 706 CB LYS A 47 -16.698 6.356 -5.065 1.00 0.00 C ATOM 707 CG LYS A 47 -16.939 6.724 -6.544 1.00 0.00 C ATOM 708 CD LYS A 47 -18.088 5.900 -7.148 1.00 0.00 C ATOM 709 CE LYS A 47 -18.277 6.119 -8.653 1.00 0.00 C ATOM 710 NZ LYS A 47 -18.679 7.499 -8.998 1.00 0.00 N ATOM 0 H LYS A 47 -15.945 5.266 -2.963 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.816 5.516 -5.635 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.313 5.495 -4.804 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -17.021 7.182 -4.432 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.171 7.786 -6.623 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -16.027 6.553 -7.116 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -17.901 4.842 -6.964 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.015 6.153 -6.634 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -17.346 5.880 -9.167 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -19.032 5.425 -9.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -18.790 7.581 -10.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -19.582 7.724 -8.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -17.948 8.165 -8.675 1.00 0.00 H new ATOM 724 N GLY A 48 -14.360 7.912 -3.426 1.00 0.00 N ATOM 725 CA GLY A 48 -13.607 9.135 -3.178 1.00 0.00 C ATOM 726 C GLY A 48 -12.128 8.909 -2.886 1.00 0.00 C ATOM 727 O GLY A 48 -11.445 9.856 -2.530 1.00 0.00 O ATOM 0 H GLY A 48 -14.889 7.584 -2.618 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.699 9.788 -4.046 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -14.056 9.661 -2.335 1.00 0.00 H new ATOM 731 N VAL A 49 -11.611 7.681 -2.946 1.00 0.00 N ATOM 732 CA VAL A 49 -10.338 7.332 -2.309 1.00 0.00 C ATOM 733 C VAL A 49 -9.129 7.736 -3.145 1.00 0.00 C ATOM 734 O VAL A 49 -8.251 8.453 -2.665 1.00 0.00 O ATOM 735 CB VAL A 49 -10.372 5.842 -1.906 1.00 0.00 C ATOM 736 CG1 VAL A 49 -8.999 5.207 -1.649 1.00 0.00 C ATOM 737 CG2 VAL A 49 -11.231 5.694 -0.644 1.00 0.00 C ATOM 0 H VAL A 49 -12.058 6.905 -3.433 1.00 0.00 H new ATOM 0 HA VAL A 49 -10.215 7.916 -1.397 1.00 0.00 H new ATOM 0 HB VAL A 49 -10.790 5.309 -2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -9.128 4.161 -1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.393 5.271 -2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.499 5.737 -0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -11.264 4.646 -0.347 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.798 6.286 0.162 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -12.242 6.045 -0.849 1.00 0.00 H new ATOM 747 N LEU A 50 -9.069 7.269 -4.390 1.00 0.00 N ATOM 748 CA LEU A 50 -7.929 7.491 -5.274 1.00 0.00 C ATOM 749 C LEU A 50 -7.553 8.975 -5.417 1.00 0.00 C ATOM 750 O LEU A 50 -6.371 9.262 -5.242 1.00 0.00 O ATOM 751 CB LEU A 50 -8.233 6.849 -6.632 1.00 0.00 C ATOM 752 CG LEU A 50 -7.932 5.337 -6.736 1.00 0.00 C ATOM 753 CD1 LEU A 50 -7.851 4.939 -8.211 1.00 0.00 C ATOM 754 CD2 LEU A 50 -6.643 4.901 -6.036 1.00 0.00 C ATOM 0 H LEU A 50 -9.817 6.722 -4.816 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.052 7.021 -4.829 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.286 7.008 -6.862 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.657 7.370 -7.397 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.750 4.831 -6.223 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.639 3.873 -8.289 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.801 5.157 -8.699 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.056 5.504 -8.697 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.508 3.826 -6.158 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.795 5.425 -6.476 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.707 5.140 -4.975 1.00 0.00 H new ATOM 766 N PRO A 51 -8.475 9.931 -5.651 1.00 0.00 N ATOM 767 CA PRO A 51 -8.121 11.335 -5.802 1.00 0.00 C ATOM 768 C PRO A 51 -7.990 12.001 -4.420 1.00 0.00 C ATOM 769 O PRO A 51 -8.433 13.131 -4.208 1.00 0.00 O ATOM 770 CB PRO A 51 -9.240 11.890 -6.679 1.00 0.00 C ATOM 771 CG PRO A 51 -10.471 11.134 -6.185 1.00 0.00 C ATOM 772 CD PRO A 51 -9.918 9.772 -5.768 1.00 0.00 C ATOM 0 HA PRO A 51 -7.152 11.518 -6.266 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.352 12.967 -6.557 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.052 11.707 -7.737 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.946 11.646 -5.348 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.223 11.038 -6.968 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.351 9.451 -4.821 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.166 9.010 -6.507 1.00 0.00 H new ATOM 780 N GLN A 52 -7.330 11.319 -3.487 1.00 0.00 N ATOM 781 CA GLN A 52 -6.853 11.781 -2.183 1.00 0.00 C ATOM 782 C GLN A 52 -5.475 11.166 -1.919 1.00 0.00 C ATOM 783 O GLN A 52 -4.652 11.792 -1.255 1.00 0.00 O ATOM 784 CB GLN A 52 -7.808 11.398 -1.039 1.00 0.00 C ATOM 785 CG GLN A 52 -9.247 11.856 -1.286 1.00 0.00 C ATOM 786 CD GLN A 52 -10.186 11.555 -0.124 1.00 0.00 C ATOM 787 OE1 GLN A 52 -10.826 12.451 0.426 1.00 0.00 O ATOM 788 NE2 GLN A 52 -10.303 10.301 0.272 1.00 0.00 N ATOM 0 H GLN A 52 -7.093 10.338 -3.637 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.800 12.869 -2.211 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.794 10.316 -0.908 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.447 11.837 -0.109 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.251 12.929 -1.478 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.626 11.370 -2.185 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.767 9.568 -0.192 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.929 10.066 1.042 1.00 0.00 H new ATOM 797 N LEU A 53 -5.175 10.000 -2.508 1.00 0.00 N ATOM 798 CA LEU A 53 -3.882 9.353 -2.467 1.00 0.00 C ATOM 799 C LEU A 53 -2.939 10.035 -3.454 1.00 0.00 C ATOM 800 O LEU A 53 -3.382 10.827 -4.285 1.00 0.00 O ATOM 801 CB LEU A 53 -4.135 7.903 -2.902 1.00 0.00 C ATOM 802 CG LEU A 53 -4.734 6.966 -1.845 1.00 0.00 C ATOM 803 CD1 LEU A 53 -5.504 7.565 -0.674 1.00 0.00 C ATOM 804 CD2 LEU A 53 -5.599 5.873 -2.466 1.00 0.00 C ATOM 0 H LEU A 53 -5.863 9.471 -3.044 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.427 9.405 -1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.803 7.917 -3.763 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.189 7.478 -3.238 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.816 6.579 -1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.858 6.765 -0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.849 8.229 -0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.356 8.131 -1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.001 5.235 -1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.421 6.329 -3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.994 5.273 -3.146 1.00 0.00 H new ATOM 816 N GLU A 54 -1.640 9.752 -3.337 1.00 0.00 N ATOM 817 CA GLU A 54 -0.603 10.495 -4.056 1.00 0.00 C ATOM 818 C GLU A 54 -0.666 10.175 -5.542 1.00 0.00 C ATOM 819 O GLU A 54 -1.280 10.941 -6.284 1.00 0.00 O ATOM 820 CB GLU A 54 0.784 10.341 -3.379 1.00 0.00 C ATOM 821 CG GLU A 54 0.749 10.745 -1.883 1.00 0.00 C ATOM 822 CD GLU A 54 1.790 11.775 -1.383 1.00 0.00 C ATOM 823 OE1 GLU A 54 2.894 11.950 -1.947 1.00 0.00 O ATOM 824 OE2 GLU A 54 1.539 12.391 -0.316 1.00 0.00 O ATOM 0 H GLU A 54 -1.278 9.005 -2.744 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.793 11.566 -3.991 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.118 9.307 -3.467 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.514 10.957 -3.904 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.243 11.142 -1.668 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.865 9.838 -1.290 1.00 0.00 H new ATOM 831 N GLN A 55 -0.119 9.046 -5.992 1.00 0.00 N ATOM 832 CA GLN A 55 -0.325 8.575 -7.331 1.00 0.00 C ATOM 833 C GLN A 55 0.021 7.095 -7.471 1.00 0.00 C ATOM 834 O GLN A 55 -0.830 6.384 -7.978 1.00 0.00 O ATOM 835 CB GLN A 55 0.490 9.403 -8.323 1.00 0.00 C ATOM 836 CG GLN A 55 -0.104 9.288 -9.714 1.00 0.00 C ATOM 837 CD GLN A 55 -1.479 9.904 -9.806 1.00 0.00 C ATOM 838 OE1 GLN A 55 -1.659 11.113 -9.934 1.00 0.00 O ATOM 839 NE2 GLN A 55 -2.478 9.064 -9.761 1.00 0.00 N ATOM 0 H GLN A 55 0.478 8.443 -5.426 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.385 8.691 -7.557 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.504 10.447 -8.011 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.524 9.059 -8.332 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.558 9.775 -10.430 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.160 8.237 -9.996 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.300 8.065 -9.654 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.436 9.407 -9.833 1.00 0.00 H new ATOM 848 N PRO A 56 1.219 6.593 -7.103 1.00 0.00 N ATOM 849 CA PRO A 56 1.510 5.187 -7.272 1.00 0.00 C ATOM 850 C PRO A 56 0.797 4.436 -6.166 1.00 0.00 C ATOM 851 O PRO A 56 1.316 4.235 -5.064 1.00 0.00 O ATOM 852 CB PRO A 56 3.014 5.038 -7.264 1.00 0.00 C ATOM 853 CG PRO A 56 3.489 6.221 -6.450 1.00 0.00 C ATOM 854 CD PRO A 56 2.374 7.262 -6.526 1.00 0.00 C ATOM 0 HA PRO A 56 1.153 4.769 -8.213 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.320 4.094 -6.814 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.423 5.057 -8.274 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.682 5.931 -5.417 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.422 6.619 -6.849 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.141 7.653 -5.536 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.677 8.110 -7.140 1.00 0.00 H new ATOM 862 N TYR A 57 -0.427 4.069 -6.494 1.00 0.00 N ATOM 863 CA TYR A 57 -1.375 3.459 -5.586 1.00 0.00 C ATOM 864 C TYR A 57 -0.979 1.992 -5.445 1.00 0.00 C ATOM 865 O TYR A 57 -1.046 1.223 -6.410 1.00 0.00 O ATOM 866 CB TYR A 57 -2.800 3.574 -6.152 1.00 0.00 C ATOM 867 CG TYR A 57 -3.218 4.956 -6.629 1.00 0.00 C ATOM 868 CD1 TYR A 57 -3.124 6.070 -5.771 1.00 0.00 C ATOM 869 CD2 TYR A 57 -3.663 5.128 -7.956 1.00 0.00 C ATOM 870 CE1 TYR A 57 -3.537 7.341 -6.217 1.00 0.00 C ATOM 871 CE2 TYR A 57 -4.068 6.394 -8.415 1.00 0.00 C ATOM 872 CZ TYR A 57 -4.070 7.490 -7.516 1.00 0.00 C ATOM 873 OH TYR A 57 -4.585 8.700 -7.877 1.00 0.00 O ATOM 0 H TYR A 57 -0.801 4.193 -7.435 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.362 3.958 -4.617 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.895 2.879 -6.986 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.502 3.249 -5.384 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.735 5.949 -4.771 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -3.693 4.281 -8.625 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.446 8.199 -5.567 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.374 6.530 -9.442 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.161 9.038 -7.159 1.00 0.00 H new ATOM 883 N VAL A 58 -0.502 1.603 -4.261 1.00 0.00 N ATOM 884 CA VAL A 58 -0.064 0.236 -4.004 1.00 0.00 C ATOM 885 C VAL A 58 -1.291 -0.608 -3.648 1.00 0.00 C ATOM 886 O VAL A 58 -1.652 -0.749 -2.481 1.00 0.00 O ATOM 887 CB VAL A 58 1.063 0.196 -2.953 1.00 0.00 C ATOM 888 CG1 VAL A 58 1.610 -1.230 -2.781 1.00 0.00 C ATOM 889 CG2 VAL A 58 2.233 1.092 -3.387 1.00 0.00 C ATOM 0 H VAL A 58 -0.410 2.226 -3.459 1.00 0.00 H new ATOM 0 HA VAL A 58 0.384 -0.200 -4.897 1.00 0.00 H new ATOM 0 HB VAL A 58 0.637 0.547 -2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.404 -1.228 -2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.807 -1.891 -2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.008 -1.584 -3.732 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.020 1.053 -2.634 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.626 0.741 -4.341 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.884 2.119 -3.494 1.00 0.00 H new ATOM 899 N PHE A 59 -1.963 -1.166 -4.651 1.00 0.00 N ATOM 900 CA PHE A 59 -3.137 -1.998 -4.473 1.00 0.00 C ATOM 901 C PHE A 59 -2.767 -3.403 -4.059 1.00 0.00 C ATOM 902 O PHE A 59 -1.635 -3.869 -4.233 1.00 0.00 O ATOM 903 CB PHE A 59 -3.888 -2.120 -5.805 1.00 0.00 C ATOM 904 CG PHE A 59 -4.400 -0.847 -6.423 1.00 0.00 C ATOM 905 CD1 PHE A 59 -5.265 -0.014 -5.702 1.00 0.00 C ATOM 906 CD2 PHE A 59 -4.040 -0.515 -7.738 1.00 0.00 C ATOM 907 CE1 PHE A 59 -5.750 1.162 -6.296 1.00 0.00 C ATOM 908 CE2 PHE A 59 -4.538 0.651 -8.335 1.00 0.00 C ATOM 909 CZ PHE A 59 -5.402 1.488 -7.618 1.00 0.00 C ATOM 0 H PHE A 59 -1.697 -1.047 -5.628 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.746 -1.529 -3.700 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.225 -2.602 -6.524 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.736 -2.788 -5.655 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.557 -0.275 -4.695 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.376 -1.161 -8.293 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.395 1.821 -5.733 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.256 0.904 -9.346 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.799 2.380 -8.079 1.00 0.00 H new ATOM 919 N ILE A 60 -3.813 -4.093 -3.611 1.00 0.00 N ATOM 920 CA ILE A 60 -3.808 -5.510 -3.355 1.00 0.00 C ATOM 921 C ILE A 60 -4.954 -6.145 -4.116 1.00 0.00 C ATOM 922 O ILE A 60 -6.098 -5.693 -4.029 1.00 0.00 O ATOM 923 CB ILE A 60 -3.844 -5.793 -1.850 1.00 0.00 C ATOM 924 CG1 ILE A 60 -5.162 -5.395 -1.154 1.00 0.00 C ATOM 925 CG2 ILE A 60 -2.648 -5.111 -1.199 1.00 0.00 C ATOM 926 CD1 ILE A 60 -5.222 -5.738 0.333 1.00 0.00 C ATOM 0 H ILE A 60 -4.713 -3.655 -3.413 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.882 -5.960 -3.713 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.789 -6.874 -1.724 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.311 -4.322 -1.273 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.990 -5.890 -1.662 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.659 -5.303 -0.126 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.727 -5.504 -1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.701 -4.037 -1.376 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.183 -5.423 0.741 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.108 -6.814 0.463 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.418 -5.222 0.858 1.00 0.00 H new ATOM 938 N LYS A 61 -4.655 -7.197 -4.869 1.00 0.00 N ATOM 939 CA LYS A 61 -5.623 -7.919 -5.687 1.00 0.00 C ATOM 940 C LYS A 61 -5.452 -9.410 -5.470 1.00 0.00 C ATOM 941 O LYS A 61 -4.319 -9.873 -5.354 1.00 0.00 O ATOM 942 CB LYS A 61 -5.494 -7.540 -7.170 1.00 0.00 C ATOM 943 CG LYS A 61 -4.056 -7.487 -7.659 1.00 0.00 C ATOM 944 CD LYS A 61 -3.843 -8.043 -9.077 1.00 0.00 C ATOM 945 CE LYS A 61 -2.410 -8.547 -9.151 1.00 0.00 C ATOM 946 NZ LYS A 61 -2.017 -9.301 -10.365 1.00 0.00 N ATOM 0 H LYS A 61 -3.712 -7.581 -4.929 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.630 -7.636 -5.381 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.047 -8.262 -7.771 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.960 -6.568 -7.330 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.715 -6.452 -7.633 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.429 -8.047 -6.965 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.546 -8.850 -9.284 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.018 -7.269 -9.824 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.745 -7.688 -9.057 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.231 -9.185 -8.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.353 -10.057 -10.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.863 -9.719 -10.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.560 -8.657 -11.041 1.00 0.00 H new ATOM 960 N ARG A 62 -6.548 -10.169 -5.428 1.00 0.00 N ATOM 961 CA ARG A 62 -6.536 -11.633 -5.292 1.00 0.00 C ATOM 962 C ARG A 62 -6.051 -12.303 -6.578 1.00 0.00 C ATOM 963 O ARG A 62 -6.850 -12.835 -7.339 1.00 0.00 O ATOM 964 CB ARG A 62 -7.886 -12.201 -4.795 1.00 0.00 C ATOM 965 CG ARG A 62 -9.082 -11.534 -5.469 1.00 0.00 C ATOM 966 CD ARG A 62 -10.448 -12.147 -5.166 1.00 0.00 C ATOM 967 NE ARG A 62 -11.514 -11.156 -5.391 1.00 0.00 N ATOM 968 CZ ARG A 62 -12.532 -10.845 -4.582 1.00 0.00 C ATOM 969 NH1 ARG A 62 -12.776 -11.556 -3.487 1.00 0.00 N ATOM 970 NH2 ARG A 62 -13.306 -9.811 -4.888 1.00 0.00 N ATOM 0 H ARG A 62 -7.489 -9.779 -5.488 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.816 -11.876 -4.510 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.917 -13.274 -4.985 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.959 -12.066 -3.716 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.103 -10.485 -5.173 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.926 -11.558 -6.548 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.612 -13.018 -5.800 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -10.477 -12.495 -4.133 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.470 -10.644 -6.272 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -12.183 -12.352 -3.253 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -13.557 -11.306 -2.880 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -13.120 -9.266 -5.730 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.087 -9.561 -4.281 1.00 0.00 H new ATOM 984 N SER A 63 -4.733 -12.262 -6.756 1.00 0.00 N ATOM 985 CA SER A 63 -3.896 -13.083 -7.631 1.00 0.00 C ATOM 986 C SER A 63 -4.589 -13.438 -8.956 1.00 0.00 C ATOM 987 O SER A 63 -5.253 -14.469 -9.062 1.00 0.00 O ATOM 988 CB SER A 63 -3.469 -14.332 -6.849 1.00 0.00 C ATOM 989 OG SER A 63 -2.396 -14.990 -7.499 1.00 0.00 O ATOM 0 H SER A 63 -4.168 -11.587 -6.241 1.00 0.00 H new ATOM 0 HA SER A 63 -3.015 -12.511 -7.922 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.170 -14.050 -5.839 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.315 -15.013 -6.753 1.00 0.00 H new ATOM 0 HG SER A 63 -2.138 -15.783 -6.984 1.00 0.00 H new ATOM 1116 N LYS A 73 -8.147 -15.724 1.349 1.00 0.00 N ATOM 1117 CA LYS A 73 -7.900 -14.619 0.424 1.00 0.00 C ATOM 1118 C LYS A 73 -6.422 -14.227 0.436 1.00 0.00 C ATOM 1119 O LYS A 73 -5.966 -13.403 1.231 1.00 0.00 O ATOM 1120 CB LYS A 73 -8.837 -13.432 0.689 1.00 0.00 C ATOM 1121 CG LYS A 73 -10.263 -13.786 0.235 1.00 0.00 C ATOM 1122 CD LYS A 73 -11.228 -12.595 0.208 1.00 0.00 C ATOM 1123 CE LYS A 73 -11.606 -12.116 1.613 1.00 0.00 C ATOM 1124 NZ LYS A 73 -10.710 -11.052 2.105 1.00 0.00 N ATOM 0 HA LYS A 73 -8.132 -14.959 -0.585 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.834 -13.184 1.750 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.483 -12.550 0.154 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.217 -14.224 -0.762 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.665 -14.550 0.901 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.770 -11.773 -0.342 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.132 -12.876 -0.332 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.632 -11.748 1.605 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.576 -12.960 2.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.225 -10.448 2.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.891 -11.481 2.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.382 -10.476 1.303 1.00 0.00 H new ATOM 1138 N VAL A 74 -5.668 -14.837 -0.466 1.00 0.00 N ATOM 1139 CA VAL A 74 -4.360 -14.383 -0.917 1.00 0.00 C ATOM 1140 C VAL A 74 -4.565 -13.104 -1.710 1.00 0.00 C ATOM 1141 O VAL A 74 -5.574 -12.960 -2.404 1.00 0.00 O ATOM 1142 CB VAL A 74 -3.730 -15.480 -1.797 1.00 0.00 C ATOM 1143 CG1 VAL A 74 -2.378 -15.092 -2.414 1.00 0.00 C ATOM 1144 CG2 VAL A 74 -3.565 -16.791 -1.016 1.00 0.00 C ATOM 0 H VAL A 74 -5.963 -15.699 -0.924 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.692 -14.189 -0.078 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.432 -15.614 -2.620 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.003 -15.918 -3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.505 -14.211 -3.043 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.665 -14.871 -1.619 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.118 -17.546 -1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.919 -16.623 -0.155 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.541 -17.137 -0.675 1.00 0.00 H new ATOM 1154 N VAL A 75 -3.575 -12.225 -1.675 1.00 0.00 N ATOM 1155 CA VAL A 75 -3.441 -11.121 -2.601 1.00 0.00 C ATOM 1156 C VAL A 75 -1.982 -11.034 -3.035 1.00 0.00 C ATOM 1157 O VAL A 75 -1.140 -11.849 -2.638 1.00 0.00 O ATOM 1158 CB VAL A 75 -3.985 -9.804 -2.007 1.00 0.00 C ATOM 1159 CG1 VAL A 75 -5.496 -9.861 -1.775 1.00 0.00 C ATOM 1160 CG2 VAL A 75 -3.298 -9.392 -0.701 1.00 0.00 C ATOM 0 H VAL A 75 -2.826 -12.264 -0.983 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.053 -11.297 -3.486 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.758 -9.049 -2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.836 -8.914 -1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.003 -10.042 -2.723 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.727 -10.668 -1.080 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.730 -8.458 -0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.442 -10.171 0.048 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.232 -9.253 -0.879 1.00 0.00 H new ATOM 1170 N GLU A 76 -1.691 -10.055 -3.878 1.00 0.00 N ATOM 1171 CA GLU A 76 -0.354 -9.690 -4.282 1.00 0.00 C ATOM 1172 C GLU A 76 -0.208 -8.202 -4.005 1.00 0.00 C ATOM 1173 O GLU A 76 -1.212 -7.488 -4.008 1.00 0.00 O ATOM 1174 CB GLU A 76 -0.177 -9.926 -5.785 1.00 0.00 C ATOM 1175 CG GLU A 76 -0.434 -11.370 -6.213 1.00 0.00 C ATOM 1176 CD GLU A 76 -0.093 -11.611 -7.684 1.00 0.00 C ATOM 1177 OE1 GLU A 76 -0.483 -10.813 -8.566 1.00 0.00 O ATOM 1178 OE2 GLU A 76 0.564 -12.644 -7.951 1.00 0.00 O ATOM 0 H GLU A 76 -2.410 -9.476 -4.312 1.00 0.00 H new ATOM 0 HA GLU A 76 0.386 -10.282 -3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.855 -9.269 -6.330 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.837 -9.646 -6.071 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.158 -12.041 -5.591 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.482 -11.616 -6.041 1.00 0.00 H new ATOM 1185 N LEU A 77 1.030 -7.747 -3.833 1.00 0.00 N ATOM 1186 CA LEU A 77 1.380 -6.338 -3.938 1.00 0.00 C ATOM 1187 C LEU A 77 1.453 -5.998 -5.417 1.00 0.00 C ATOM 1188 O LEU A 77 1.994 -6.790 -6.196 1.00 0.00 O ATOM 1189 CB LEU A 77 2.765 -6.084 -3.324 1.00 0.00 C ATOM 1190 CG LEU A 77 2.848 -6.363 -1.819 1.00 0.00 C ATOM 1191 CD1 LEU A 77 4.302 -6.299 -1.358 1.00 0.00 C ATOM 1192 CD2 LEU A 77 2.033 -5.341 -1.043 1.00 0.00 C ATOM 0 H LEU A 77 1.822 -8.352 -3.615 1.00 0.00 H new ATOM 0 HA LEU A 77 0.639 -5.734 -3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.497 -6.707 -3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.045 -5.046 -3.505 1.00 0.00 H new ATOM 0 HG LEU A 77 2.446 -7.358 -1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.353 -6.498 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.887 -7.046 -1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.705 -5.307 -1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.103 -5.554 0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.421 -4.341 -1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.990 -5.394 -1.356 1.00 0.00 H new ATOM 1204 N VAL A 78 0.941 -4.833 -5.794 1.00 0.00 N ATOM 1205 CA VAL A 78 0.960 -4.306 -7.150 1.00 0.00 C ATOM 1206 C VAL A 78 1.213 -2.808 -6.973 1.00 0.00 C ATOM 1207 O VAL A 78 0.848 -2.252 -5.933 1.00 0.00 O ATOM 1208 CB VAL A 78 -0.403 -4.608 -7.824 1.00 0.00 C ATOM 1209 CG1 VAL A 78 -0.401 -4.591 -9.354 1.00 0.00 C ATOM 1210 CG2 VAL A 78 -0.973 -5.974 -7.434 1.00 0.00 C ATOM 0 H VAL A 78 0.482 -4.204 -5.134 1.00 0.00 H new ATOM 0 HA VAL A 78 1.722 -4.749 -7.792 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.012 -3.785 -7.452 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.403 -4.814 -9.722 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.096 -3.606 -9.707 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.297 -5.341 -9.725 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.927 -6.127 -7.938 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.276 -6.757 -7.731 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.122 -6.011 -6.355 1.00 0.00 H new ATOM 1220 N ALA A 79 1.735 -2.104 -7.974 1.00 0.00 N ATOM 1221 CA ALA A 79 1.772 -0.642 -7.969 1.00 0.00 C ATOM 1222 C ALA A 79 1.370 -0.137 -9.346 1.00 0.00 C ATOM 1223 O ALA A 79 1.672 -0.773 -10.364 1.00 0.00 O ATOM 1224 CB ALA A 79 3.134 -0.111 -7.515 1.00 0.00 C ATOM 0 H ALA A 79 2.143 -2.527 -8.808 1.00 0.00 H new ATOM 0 HA ALA A 79 1.057 -0.260 -7.240 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.121 0.979 -7.525 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.343 -0.462 -6.505 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.909 -0.471 -8.192 1.00 0.00 H new ATOM 1230 N GLU A 80 0.684 1.003 -9.360 1.00 0.00 N ATOM 1231 CA GLU A 80 -0.003 1.524 -10.521 1.00 0.00 C ATOM 1232 C GLU A 80 -0.185 3.024 -10.339 1.00 0.00 C ATOM 1233 O GLU A 80 -0.715 3.428 -9.304 1.00 0.00 O ATOM 1234 CB GLU A 80 -1.380 0.832 -10.610 1.00 0.00 C ATOM 1235 CG GLU A 80 -1.546 0.024 -11.894 1.00 0.00 C ATOM 1236 CD GLU A 80 -1.242 0.872 -13.122 1.00 0.00 C ATOM 1237 OE1 GLU A 80 -1.622 2.064 -13.127 1.00 0.00 O ATOM 1238 OE2 GLU A 80 -0.634 0.313 -14.063 1.00 0.00 O ATOM 0 H GLU A 80 0.593 1.600 -8.538 1.00 0.00 H new ATOM 0 HA GLU A 80 0.563 1.337 -11.433 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.508 0.173 -9.751 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.166 1.585 -10.554 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.881 -0.840 -11.872 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.565 -0.359 -11.957 1.00 0.00 H new ATOM 1245 N MET A 81 0.256 3.846 -11.297 1.00 0.00 N ATOM 1246 CA MET A 81 0.169 5.292 -11.143 1.00 0.00 C ATOM 1247 C MET A 81 -1.241 5.787 -11.448 1.00 0.00 C ATOM 1248 O MET A 81 -1.808 6.556 -10.682 1.00 0.00 O ATOM 1249 CB MET A 81 1.254 6.035 -11.939 1.00 0.00 C ATOM 1250 CG MET A 81 0.917 6.380 -13.395 1.00 0.00 C ATOM 1251 SD MET A 81 2.174 7.363 -14.243 1.00 0.00 S ATOM 1252 CE MET A 81 2.165 8.893 -13.264 1.00 0.00 C ATOM 0 H MET A 81 0.671 3.535 -12.175 1.00 0.00 H new ATOM 0 HA MET A 81 0.371 5.526 -10.098 1.00 0.00 H new ATOM 0 HB2 MET A 81 1.489 6.961 -11.414 1.00 0.00 H new ATOM 0 HB3 MET A 81 2.159 5.427 -11.933 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.764 5.454 -13.948 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.027 6.924 -13.417 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.635 9.693 -13.835 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.137 9.169 -13.030 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.718 8.736 -12.338 1.00 0.00 H new ATOM 1262 N ASP A 82 -1.854 5.377 -12.560 1.00 0.00 N ATOM 1263 CA ASP A 82 -3.159 5.939 -12.940 1.00 0.00 C ATOM 1264 C ASP A 82 -4.294 5.174 -12.272 1.00 0.00 C ATOM 1265 O ASP A 82 -5.475 5.387 -12.560 1.00 0.00 O ATOM 1266 CB ASP A 82 -3.341 5.919 -14.459 1.00 0.00 C ATOM 1267 CG ASP A 82 -4.165 7.085 -14.986 1.00 0.00 C ATOM 1268 OD1 ASP A 82 -3.732 8.243 -14.817 1.00 0.00 O ATOM 1269 OD2 ASP A 82 -5.192 6.871 -15.671 1.00 0.00 O ATOM 0 H ASP A 82 -1.483 4.676 -13.201 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.186 6.974 -12.599 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.360 5.933 -14.935 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.822 4.984 -14.747 1.00 0.00 H new ATOM 1274 N GLY A 83 -3.932 4.197 -11.442 1.00 0.00 N ATOM 1275 CA GLY A 83 -4.692 2.984 -11.262 1.00 0.00 C ATOM 1276 C GLY A 83 -5.251 2.493 -12.599 1.00 0.00 C ATOM 1277 O GLY A 83 -6.467 2.281 -12.694 1.00 0.00 O ATOM 0 H GLY A 83 -3.087 4.237 -10.872 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.058 2.214 -10.822 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.510 3.161 -10.563 1.00 0.00 H new ATOM 1281 N ILE A 84 -4.381 2.390 -13.621 1.00 0.00 N ATOM 1282 CA ILE A 84 -4.706 1.998 -14.997 1.00 0.00 C ATOM 1283 C ILE A 84 -5.601 0.767 -14.953 1.00 0.00 C ATOM 1284 O ILE A 84 -6.705 0.761 -15.495 1.00 0.00 O ATOM 1285 CB ILE A 84 -3.402 1.680 -15.778 1.00 0.00 C ATOM 1286 CG1 ILE A 84 -2.560 2.946 -16.043 1.00 0.00 C ATOM 1287 CG2 ILE A 84 -3.716 0.893 -17.055 1.00 0.00 C ATOM 1288 CD1 ILE A 84 -1.135 2.676 -16.536 1.00 0.00 C ATOM 0 H ILE A 84 -3.388 2.588 -13.500 1.00 0.00 H new ATOM 0 HA ILE A 84 -5.223 2.813 -15.504 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.779 1.042 -15.151 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.075 3.560 -16.782 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.507 3.530 -15.124 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.789 0.680 -17.588 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.208 -0.044 -16.793 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.374 1.482 -17.693 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.619 3.623 -16.695 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.597 2.091 -15.790 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.173 2.122 -17.474 1.00 0.00 H new ATOM 1300 N GLN A 85 -5.089 -0.262 -14.286 1.00 0.00 N ATOM 1301 CA GLN A 85 -5.812 -1.445 -13.909 1.00 0.00 C ATOM 1302 C GLN A 85 -5.947 -1.391 -12.396 1.00 0.00 C ATOM 1303 O GLN A 85 -5.352 -0.563 -11.698 1.00 0.00 O ATOM 1304 CB GLN A 85 -5.047 -2.691 -14.381 1.00 0.00 C ATOM 1305 CG GLN A 85 -5.169 -2.901 -15.890 1.00 0.00 C ATOM 1306 CD GLN A 85 -4.440 -4.152 -16.348 1.00 0.00 C ATOM 1307 OE1 GLN A 85 -3.316 -4.439 -15.944 1.00 0.00 O ATOM 1308 NE2 GLN A 85 -5.049 -4.919 -17.228 1.00 0.00 N ATOM 0 H GLN A 85 -4.114 -0.283 -13.986 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.799 -1.497 -14.369 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -3.995 -2.594 -14.113 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -5.429 -3.569 -13.861 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.222 -2.974 -16.162 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.764 -2.033 -16.411 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.982 -4.674 -17.559 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -4.587 -5.758 -17.579 1.00 0.00 H new ATOM 1317 N TYR A 86 -6.721 -2.339 -11.906 1.00 0.00 N ATOM 1318 CA TYR A 86 -6.904 -2.729 -10.509 1.00 0.00 C ATOM 1319 C TYR A 86 -7.693 -1.695 -9.698 1.00 0.00 C ATOM 1320 O TYR A 86 -8.625 -2.086 -8.999 1.00 0.00 O ATOM 1321 CB TYR A 86 -5.561 -3.064 -9.838 1.00 0.00 C ATOM 1322 CG TYR A 86 -4.616 -3.876 -10.704 1.00 0.00 C ATOM 1323 CD1 TYR A 86 -4.931 -5.203 -11.043 1.00 0.00 C ATOM 1324 CD2 TYR A 86 -3.457 -3.279 -11.243 1.00 0.00 C ATOM 1325 CE1 TYR A 86 -4.079 -5.939 -11.885 1.00 0.00 C ATOM 1326 CE2 TYR A 86 -2.624 -3.989 -12.130 1.00 0.00 C ATOM 1327 CZ TYR A 86 -2.927 -5.337 -12.433 1.00 0.00 C ATOM 1328 OH TYR A 86 -2.142 -6.078 -13.261 1.00 0.00 O ATOM 0 H TYR A 86 -7.293 -2.912 -12.527 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.510 -3.635 -10.521 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.068 -2.134 -9.555 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.755 -3.615 -8.918 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -5.830 -5.659 -10.656 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.205 -2.264 -10.972 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -4.307 -6.970 -12.113 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.764 -3.510 -12.574 1.00 0.00 H new ATOM 0 HH TYR A 86 -1.384 -5.536 -13.565 1.00 0.00 H new ATOM 1338 N GLY A 87 -7.382 -0.399 -9.780 1.00 0.00 N ATOM 1339 CA GLY A 87 -8.033 0.661 -9.007 1.00 0.00 C ATOM 1340 C GLY A 87 -9.523 0.814 -9.279 1.00 0.00 C ATOM 1341 O GLY A 87 -10.256 1.367 -8.454 1.00 0.00 O ATOM 0 H GLY A 87 -6.652 -0.049 -10.401 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.889 0.460 -7.945 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.538 1.608 -9.223 1.00 0.00 H new ATOM 1345 N ARG A 88 -9.974 0.283 -10.412 1.00 0.00 N ATOM 1346 CA ARG A 88 -11.377 0.189 -10.793 1.00 0.00 C ATOM 1347 C ARG A 88 -11.847 -1.244 -11.007 1.00 0.00 C ATOM 1348 O ARG A 88 -12.913 -1.449 -11.591 1.00 0.00 O ATOM 1349 CB ARG A 88 -11.643 1.094 -12.014 1.00 0.00 C ATOM 1350 CG ARG A 88 -12.779 2.057 -11.680 1.00 0.00 C ATOM 1351 CD ARG A 88 -12.189 3.294 -10.984 1.00 0.00 C ATOM 1352 NE ARG A 88 -13.200 4.123 -10.312 1.00 0.00 N ATOM 1353 CZ ARG A 88 -13.748 3.851 -9.125 1.00 0.00 C ATOM 1354 NH1 ARG A 88 -13.575 2.669 -8.540 1.00 0.00 N ATOM 1355 NH2 ARG A 88 -14.475 4.758 -8.488 1.00 0.00 N ATOM 0 H ARG A 88 -9.347 -0.108 -11.115 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.978 0.550 -9.958 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -10.742 1.650 -12.274 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.905 0.488 -12.882 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.305 2.350 -12.588 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -13.508 1.571 -11.032 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -11.449 2.971 -10.252 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -11.664 3.901 -11.722 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.506 4.971 -10.789 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -13.015 1.950 -8.998 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -14.002 2.481 -7.633 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.622 5.678 -8.904 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -14.888 4.536 -7.582 1.00 0.00 H new ATOM 1369 N SER A 89 -11.074 -2.246 -10.596 1.00 0.00 N ATOM 1370 CA SER A 89 -11.468 -3.643 -10.674 1.00 0.00 C ATOM 1371 C SER A 89 -12.175 -4.058 -9.377 1.00 0.00 C ATOM 1372 O SER A 89 -12.159 -3.311 -8.396 1.00 0.00 O ATOM 1373 CB SER A 89 -10.212 -4.497 -10.894 1.00 0.00 C ATOM 1374 OG SER A 89 -9.620 -4.297 -12.166 1.00 0.00 O ATOM 0 H SER A 89 -10.147 -2.105 -10.195 1.00 0.00 H new ATOM 0 HA SER A 89 -12.159 -3.790 -11.504 1.00 0.00 H new ATOM 0 HB2 SER A 89 -9.481 -4.265 -10.119 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.471 -5.550 -10.782 1.00 0.00 H new ATOM 0 HG SER A 89 -8.825 -4.864 -12.250 1.00 0.00 H new ATOM 1380 N GLY A 90 -12.735 -5.272 -9.339 1.00 0.00 N ATOM 1381 CA GLY A 90 -13.315 -5.870 -8.131 1.00 0.00 C ATOM 1382 C GLY A 90 -12.488 -7.046 -7.602 1.00 0.00 C ATOM 1383 O GLY A 90 -12.752 -7.568 -6.521 1.00 0.00 O ATOM 0 H GLY A 90 -12.799 -5.876 -10.159 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -13.395 -5.108 -7.355 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -14.327 -6.211 -8.349 1.00 0.00 H new ATOM 1387 N ILE A 91 -11.425 -7.437 -8.307 1.00 0.00 N ATOM 1388 CA ILE A 91 -10.353 -8.271 -7.767 1.00 0.00 C ATOM 1389 C ILE A 91 -9.645 -7.584 -6.584 1.00 0.00 C ATOM 1390 O ILE A 91 -8.960 -8.237 -5.799 1.00 0.00 O ATOM 1391 CB ILE A 91 -9.389 -8.604 -8.926 1.00 0.00 C ATOM 1392 CG1 ILE A 91 -8.444 -9.752 -8.579 1.00 0.00 C ATOM 1393 CG2 ILE A 91 -8.597 -7.367 -9.409 1.00 0.00 C ATOM 1394 CD1 ILE A 91 -7.444 -10.132 -9.668 1.00 0.00 C ATOM 0 H ILE A 91 -11.284 -7.179 -9.284 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.758 -9.197 -7.360 1.00 0.00 H new ATOM 0 HB ILE A 91 -10.019 -8.932 -9.753 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.890 -9.484 -7.679 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -9.042 -10.631 -8.336 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.934 -7.655 -10.225 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.292 -6.604 -9.759 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -8.006 -6.969 -8.584 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -6.822 -10.956 -9.319 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.982 -10.438 -10.565 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.813 -9.274 -9.898 1.00 0.00 H new ATOM 1406 N THR A 92 -9.749 -6.263 -6.478 1.00 0.00 N ATOM 1407 CA THR A 92 -8.913 -5.454 -5.616 1.00 0.00 C ATOM 1408 C THR A 92 -9.611 -5.265 -4.262 1.00 0.00 C ATOM 1409 O THR A 92 -10.837 -5.110 -4.210 1.00 0.00 O ATOM 1410 CB THR A 92 -8.626 -4.125 -6.329 1.00 0.00 C ATOM 1411 OG1 THR A 92 -8.464 -4.350 -7.718 1.00 0.00 O ATOM 1412 CG2 THR A 92 -7.339 -3.475 -5.822 1.00 0.00 C ATOM 0 H THR A 92 -10.434 -5.719 -7.003 1.00 0.00 H new ATOM 0 HA THR A 92 -7.958 -5.940 -5.415 1.00 0.00 H new ATOM 0 HB THR A 92 -9.471 -3.467 -6.126 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.527 -3.497 -8.197 1.00 0.00 H new ATOM 0 HG21 THR A 92 -7.172 -2.537 -6.352 1.00 0.00 H new ATOM 0 HG22 THR A 92 -7.427 -3.278 -4.754 1.00 0.00 H new ATOM 0 HG23 THR A 92 -6.498 -4.146 -5.999 1.00 0.00 H new ATOM 1420 N LEU A 93 -8.842 -5.271 -3.165 1.00 0.00 N ATOM 1421 CA LEU A 93 -9.392 -5.212 -1.804 1.00 0.00 C ATOM 1422 C LEU A 93 -9.096 -3.868 -1.130 1.00 0.00 C ATOM 1423 O LEU A 93 -9.892 -3.401 -0.314 1.00 0.00 O ATOM 1424 CB LEU A 93 -8.897 -6.367 -0.925 1.00 0.00 C ATOM 1425 CG LEU A 93 -8.804 -7.759 -1.582 1.00 0.00 C ATOM 1426 CD1 LEU A 93 -8.353 -8.733 -0.495 1.00 0.00 C ATOM 1427 CD2 LEU A 93 -10.112 -8.276 -2.198 1.00 0.00 C ATOM 0 H LEU A 93 -7.823 -5.317 -3.196 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.472 -5.314 -1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.909 -6.105 -0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.559 -6.443 -0.062 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.106 -7.678 -2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -8.273 -9.736 -0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.382 -8.423 -0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.082 -8.737 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.944 -9.261 -2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.876 -8.348 -1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.446 -7.587 -2.974 1.00 0.00 H new ATOM 1439 N GLY A 94 -7.976 -3.215 -1.455 1.00 0.00 N ATOM 1440 CA GLY A 94 -7.681 -1.876 -0.945 1.00 0.00 C ATOM 1441 C GLY A 94 -6.377 -1.355 -1.529 1.00 0.00 C ATOM 1442 O GLY A 94 -5.814 -1.977 -2.436 1.00 0.00 O ATOM 0 H GLY A 94 -7.258 -3.595 -2.071 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.496 -1.197 -1.198 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.614 -1.902 0.143 1.00 0.00 H new ATOM 1446 N VAL A 95 -5.927 -0.217 -1.005 1.00 0.00 N ATOM 1447 CA VAL A 95 -4.623 0.378 -1.249 1.00 0.00 C ATOM 1448 C VAL A 95 -3.881 0.363 0.082 1.00 0.00 C ATOM 1449 O VAL A 95 -4.431 0.708 1.129 1.00 0.00 O ATOM 1450 CB VAL A 95 -4.776 1.814 -1.805 1.00 0.00 C ATOM 1451 CG1 VAL A 95 -3.419 2.512 -1.967 1.00 0.00 C ATOM 1452 CG2 VAL A 95 -5.477 1.920 -3.150 1.00 0.00 C ATOM 0 H VAL A 95 -6.494 0.341 -0.366 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.064 -0.182 -1.999 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.399 2.296 -1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.572 3.517 -2.360 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.923 2.572 -0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.797 1.943 -2.658 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.533 2.966 -3.450 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.917 1.358 -3.897 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.484 1.512 -3.068 1.00 0.00 H new ATOM 1462 N LEU A 96 -2.634 -0.075 0.043 1.00 0.00 N ATOM 1463 CA LEU A 96 -1.747 -0.158 1.178 1.00 0.00 C ATOM 1464 C LEU A 96 -1.106 1.194 1.389 1.00 0.00 C ATOM 1465 O LEU A 96 -0.739 1.883 0.435 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.656 -1.184 0.893 1.00 0.00 C ATOM 1467 CG LEU A 96 -1.209 -2.606 0.831 1.00 0.00 C ATOM 1468 CD1 LEU A 96 -0.139 -3.495 0.216 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -1.612 -3.180 2.184 1.00 0.00 C ATOM 0 H LEU A 96 -2.198 -0.395 -0.822 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.306 -0.455 2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.170 -0.943 -0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.108 -1.126 1.668 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.121 -2.572 0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.506 -4.520 0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.099 -3.138 -0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.758 -3.465 0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.994 -4.192 2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.744 -3.204 2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.387 -2.555 2.628 1.00 0.00 H new ATOM 1481 N VAL A 97 -0.870 1.529 2.646 1.00 0.00 N ATOM 1482 CA VAL A 97 -0.346 2.820 3.082 1.00 0.00 C ATOM 1483 C VAL A 97 0.626 2.569 4.241 1.00 0.00 C ATOM 1484 O VAL A 97 0.438 1.579 4.955 1.00 0.00 O ATOM 1485 CB VAL A 97 -1.532 3.733 3.476 1.00 0.00 C ATOM 1486 CG1 VAL A 97 -2.418 4.043 2.251 1.00 0.00 C ATOM 1487 CG2 VAL A 97 -2.412 3.117 4.587 1.00 0.00 C ATOM 0 H VAL A 97 -1.043 0.889 3.422 1.00 0.00 H new ATOM 0 HA VAL A 97 0.201 3.330 2.289 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.091 4.653 3.861 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.245 4.686 2.553 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.823 4.550 1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.813 3.113 1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.228 3.799 4.824 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.821 2.167 4.242 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.808 2.950 5.479 1.00 0.00 H new ATOM 1497 N PRO A 98 1.677 3.378 4.441 1.00 0.00 N ATOM 1498 CA PRO A 98 2.518 3.230 5.613 1.00 0.00 C ATOM 1499 C PRO A 98 1.698 3.584 6.855 1.00 0.00 C ATOM 1500 O PRO A 98 1.079 4.647 6.931 1.00 0.00 O ATOM 1501 CB PRO A 98 3.735 4.122 5.395 1.00 0.00 C ATOM 1502 CG PRO A 98 3.272 5.152 4.369 1.00 0.00 C ATOM 1503 CD PRO A 98 2.125 4.484 3.607 1.00 0.00 C ATOM 0 HA PRO A 98 2.871 2.210 5.768 1.00 0.00 H new ATOM 0 HB2 PRO A 98 4.049 4.599 6.323 1.00 0.00 H new ATOM 0 HB3 PRO A 98 4.586 3.550 5.027 1.00 0.00 H new ATOM 0 HG2 PRO A 98 2.938 6.068 4.856 1.00 0.00 H new ATOM 0 HG3 PRO A 98 4.083 5.427 3.695 1.00 0.00 H new ATOM 0 HD2 PRO A 98 1.314 5.189 3.426 1.00 0.00 H new ATOM 0 HD3 PRO A 98 2.460 4.127 2.633 1.00 0.00 H new ATOM 1511 N HIS A 99 1.657 2.663 7.814 1.00 0.00 N ATOM 1512 CA HIS A 99 1.059 2.887 9.114 1.00 0.00 C ATOM 1513 C HIS A 99 2.037 3.730 9.930 1.00 0.00 C ATOM 1514 O HIS A 99 3.196 3.343 10.088 1.00 0.00 O ATOM 1515 CB HIS A 99 0.764 1.542 9.794 1.00 0.00 C ATOM 1516 CG HIS A 99 0.522 1.699 11.272 1.00 0.00 C ATOM 1517 ND1 HIS A 99 1.378 1.300 12.278 1.00 0.00 N ATOM 1518 CD2 HIS A 99 -0.484 2.427 11.850 1.00 0.00 C ATOM 1519 CE1 HIS A 99 0.864 1.728 13.440 1.00 0.00 C ATOM 1520 NE2 HIS A 99 -0.277 2.402 13.224 1.00 0.00 N ATOM 0 H HIS A 99 2.046 1.727 7.701 1.00 0.00 H new ATOM 0 HA HIS A 99 0.109 3.415 9.026 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -0.110 1.085 9.330 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.602 0.863 9.634 1.00 0.00 H new ATOM 0 HD1 HIS A 99 2.244 0.775 12.159 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -1.289 2.928 11.333 1.00 0.00 H new ATOM 0 HE1 HIS A 99 1.305 1.555 14.411 1.00 0.00 H new ATOM 1528 N VAL A 100 1.560 4.839 10.494 1.00 0.00 N ATOM 1529 CA VAL A 100 2.338 5.787 11.289 1.00 0.00 C ATOM 1530 C VAL A 100 1.593 6.141 12.587 1.00 0.00 C ATOM 1531 O VAL A 100 1.594 7.287 13.044 1.00 0.00 O ATOM 1532 CB VAL A 100 2.748 7.007 10.433 1.00 0.00 C ATOM 1533 CG1 VAL A 100 3.597 6.572 9.231 1.00 0.00 C ATOM 1534 CG2 VAL A 100 1.557 7.792 9.875 1.00 0.00 C ATOM 0 H VAL A 100 0.581 5.112 10.406 1.00 0.00 H new ATOM 0 HA VAL A 100 3.274 5.325 11.605 1.00 0.00 H new ATOM 0 HB VAL A 100 3.309 7.649 11.113 1.00 0.00 H new ATOM 0 HG11 VAL A 100 3.873 7.448 8.644 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.499 6.073 9.584 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.023 5.885 8.609 1.00 0.00 H new ATOM 0 HG21 VAL A 100 1.920 8.634 9.285 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.955 7.139 9.243 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.947 8.163 10.699 1.00 0.00 H new ATOM 1544 N GLY A 101 0.956 5.138 13.197 1.00 0.00 N ATOM 1545 CA GLY A 101 0.382 5.237 14.527 1.00 0.00 C ATOM 1546 C GLY A 101 -0.737 6.262 14.614 1.00 0.00 C ATOM 1547 O GLY A 101 -0.692 7.115 15.504 1.00 0.00 O ATOM 0 H GLY A 101 0.826 4.222 12.767 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -0.002 4.261 14.825 1.00 0.00 H new ATOM 0 HA3 GLY A 101 1.166 5.501 15.237 1.00 0.00 H new ATOM 1551 N GLU A 102 -1.685 6.203 13.675 1.00 0.00 N ATOM 1552 CA GLU A 102 -2.950 6.932 13.780 1.00 0.00 C ATOM 1553 C GLU A 102 -3.923 6.144 14.674 1.00 0.00 C ATOM 1554 O GLU A 102 -3.758 6.133 15.892 1.00 0.00 O ATOM 1555 CB GLU A 102 -3.520 7.169 12.370 1.00 0.00 C ATOM 1556 CG GLU A 102 -2.700 8.172 11.556 1.00 0.00 C ATOM 1557 CD GLU A 102 -2.778 9.579 12.139 1.00 0.00 C ATOM 1558 OE1 GLU A 102 -3.898 10.078 12.393 1.00 0.00 O ATOM 1559 OE2 GLU A 102 -1.716 10.226 12.299 1.00 0.00 O ATOM 0 H GLU A 102 -1.597 5.650 12.823 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.792 7.906 14.243 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.558 6.220 11.835 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -4.545 7.529 12.454 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.659 7.849 11.525 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.060 8.185 10.527 1.00 0.00 H new ATOM 1566 N THR A 103 -4.887 5.417 14.099 1.00 0.00 N ATOM 1567 CA THR A 103 -5.801 4.538 14.810 1.00 0.00 C ATOM 1568 C THR A 103 -6.356 3.552 13.772 1.00 0.00 C ATOM 1569 O THR A 103 -6.838 3.986 12.722 1.00 0.00 O ATOM 1570 CB THR A 103 -6.883 5.376 15.547 1.00 0.00 C ATOM 1571 OG1 THR A 103 -6.957 4.994 16.912 1.00 0.00 O ATOM 1572 CG2 THR A 103 -8.300 5.358 14.971 1.00 0.00 C ATOM 0 H THR A 103 -5.052 5.430 13.092 1.00 0.00 H new ATOM 0 HA THR A 103 -5.312 3.966 15.598 1.00 0.00 H new ATOM 0 HB THR A 103 -6.531 6.398 15.409 1.00 0.00 H new ATOM 0 HG1 THR A 103 -7.641 5.530 17.365 1.00 0.00 H new ATOM 0 HG21 THR A 103 -8.950 5.984 15.583 1.00 0.00 H new ATOM 0 HG22 THR A 103 -8.283 5.741 13.951 1.00 0.00 H new ATOM 0 HG23 THR A 103 -8.679 4.336 14.968 1.00 0.00 H new ATOM 1580 N PRO A 104 -6.257 2.232 13.996 1.00 0.00 N ATOM 1581 CA PRO A 104 -7.044 1.278 13.244 1.00 0.00 C ATOM 1582 C PRO A 104 -8.492 1.294 13.713 1.00 0.00 C ATOM 1583 O PRO A 104 -8.763 1.449 14.909 1.00 0.00 O ATOM 1584 CB PRO A 104 -6.430 -0.100 13.495 1.00 0.00 C ATOM 1585 CG PRO A 104 -5.431 0.092 14.638 1.00 0.00 C ATOM 1586 CD PRO A 104 -5.464 1.576 15.009 1.00 0.00 C ATOM 0 HA PRO A 104 -7.037 1.526 12.183 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -7.197 -0.827 13.763 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -5.934 -0.476 12.600 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -5.700 -0.527 15.494 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.429 -0.207 14.330 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -5.901 1.720 15.997 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.456 1.990 15.042 1.00 0.00 H new ATOM 1594 N ILE A 105 -9.400 1.018 12.780 1.00 0.00 N ATOM 1595 CA ILE A 105 -10.808 0.746 13.055 1.00 0.00 C ATOM 1596 C ILE A 105 -11.110 -0.759 12.983 1.00 0.00 C ATOM 1597 O ILE A 105 -12.077 -1.230 13.584 1.00 0.00 O ATOM 1598 CB ILE A 105 -11.710 1.552 12.093 1.00 0.00 C ATOM 1599 CG1 ILE A 105 -11.358 1.382 10.591 1.00 0.00 C ATOM 1600 CG2 ILE A 105 -11.751 3.028 12.526 1.00 0.00 C ATOM 1601 CD1 ILE A 105 -10.432 2.455 9.998 1.00 0.00 C ATOM 0 H ILE A 105 -9.171 0.976 11.787 1.00 0.00 H new ATOM 0 HA ILE A 105 -11.027 1.068 14.073 1.00 0.00 H new ATOM 0 HB ILE A 105 -12.713 1.132 12.175 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -10.889 0.408 10.455 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -12.285 1.372 10.018 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.389 3.590 11.843 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -12.151 3.099 13.538 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -10.743 3.442 12.504 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.252 2.239 8.945 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -10.902 3.434 10.092 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -9.484 2.455 10.536 1.00 0.00 H new ATOM 1613 N ALA A 106 -10.289 -1.518 12.255 1.00 0.00 N ATOM 1614 CA ALA A 106 -10.433 -2.935 11.962 1.00 0.00 C ATOM 1615 C ALA A 106 -9.051 -3.468 11.569 1.00 0.00 C ATOM 1616 O ALA A 106 -8.087 -2.700 11.523 1.00 0.00 O ATOM 1617 CB ALA A 106 -11.458 -3.099 10.825 1.00 0.00 C ATOM 0 H ALA A 106 -9.450 -1.126 11.828 1.00 0.00 H new ATOM 0 HA ALA A 106 -10.796 -3.498 12.822 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.578 -4.157 10.593 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -12.417 -2.685 11.137 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.106 -2.571 9.939 1.00 0.00 H new ATOM 1623 N TYR A 107 -8.943 -4.758 11.252 1.00 0.00 N ATOM 1624 CA TYR A 107 -7.728 -5.377 10.734 1.00 0.00 C ATOM 1625 C TYR A 107 -8.094 -6.272 9.551 1.00 0.00 C ATOM 1626 O TYR A 107 -9.117 -6.962 9.553 1.00 0.00 O ATOM 1627 CB TYR A 107 -6.997 -6.156 11.835 1.00 0.00 C ATOM 1628 CG TYR A 107 -6.206 -5.278 12.788 1.00 0.00 C ATOM 1629 CD1 TYR A 107 -6.845 -4.636 13.866 1.00 0.00 C ATOM 1630 CD2 TYR A 107 -4.833 -5.063 12.570 1.00 0.00 C ATOM 1631 CE1 TYR A 107 -6.117 -3.799 14.732 1.00 0.00 C ATOM 1632 CE2 TYR A 107 -4.100 -4.217 13.419 1.00 0.00 C ATOM 1633 CZ TYR A 107 -4.736 -3.592 14.517 1.00 0.00 C ATOM 1634 OH TYR A 107 -4.016 -2.801 15.359 1.00 0.00 O ATOM 0 H TYR A 107 -9.717 -5.415 11.351 1.00 0.00 H new ATOM 0 HA TYR A 107 -7.040 -4.605 10.389 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.727 -6.730 12.406 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -6.320 -6.873 11.371 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.902 -4.787 14.030 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -4.339 -5.552 11.744 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.614 -3.315 15.560 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -3.050 -4.044 13.233 1.00 0.00 H new ATOM 0 HH TYR A 107 -3.083 -2.771 15.062 1.00 0.00 H new ATOM 1644 N ARG A 108 -7.259 -6.247 8.514 1.00 0.00 N ATOM 1645 CA ARG A 108 -7.423 -6.977 7.265 1.00 0.00 C ATOM 1646 C ARG A 108 -6.273 -7.936 7.133 1.00 0.00 C ATOM 1647 O ARG A 108 -5.164 -7.576 6.747 1.00 0.00 O ATOM 1648 CB ARG A 108 -7.572 -6.031 6.081 1.00 0.00 C ATOM 1649 CG ARG A 108 -9.045 -5.628 5.948 1.00 0.00 C ATOM 1650 CD ARG A 108 -9.878 -6.616 5.128 1.00 0.00 C ATOM 1651 NE ARG A 108 -11.230 -6.083 4.933 1.00 0.00 N ATOM 1652 CZ ARG A 108 -12.273 -6.219 5.761 1.00 0.00 C ATOM 1653 NH1 ARG A 108 -12.206 -6.979 6.853 1.00 0.00 N ATOM 1654 NH2 ARG A 108 -13.399 -5.577 5.490 1.00 0.00 N ATOM 0 H ARG A 108 -6.407 -5.687 8.526 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.349 -7.552 7.274 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -6.951 -5.147 6.225 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.230 -6.515 5.166 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.480 -5.537 6.943 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -9.103 -4.643 5.484 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -9.404 -6.792 4.162 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -9.926 -7.577 5.639 1.00 0.00 H new ATOM 0 HE ARG A 108 -11.393 -5.553 4.077 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -11.344 -7.476 7.076 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -13.017 -7.064 7.466 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -13.463 -4.988 4.659 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -14.202 -5.671 6.112 1.00 0.00 H new ATOM 1668 N ASN A 109 -6.561 -9.167 7.516 1.00 0.00 N ATOM 1669 CA ASN A 109 -5.625 -10.268 7.351 1.00 0.00 C ATOM 1670 C ASN A 109 -5.789 -10.762 5.917 1.00 0.00 C ATOM 1671 O ASN A 109 -6.910 -10.815 5.402 1.00 0.00 O ATOM 1672 CB ASN A 109 -5.852 -11.403 8.361 1.00 0.00 C ATOM 1673 CG ASN A 109 -5.724 -11.012 9.830 1.00 0.00 C ATOM 1674 OD1 ASN A 109 -5.638 -9.842 10.184 1.00 0.00 O ATOM 1675 ND2 ASN A 109 -5.730 -11.975 10.738 1.00 0.00 N ATOM 0 H ASN A 109 -7.446 -9.432 7.948 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.609 -9.922 7.542 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -6.848 -11.816 8.199 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.138 -12.200 8.152 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -5.663 -11.742 11.729 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -5.801 -12.950 10.447 1.00 0.00 H new ATOM 1682 N VAL A 110 -4.685 -11.112 5.274 1.00 0.00 N ATOM 1683 CA VAL A 110 -4.591 -11.656 3.926 1.00 0.00 C ATOM 1684 C VAL A 110 -3.472 -12.706 3.929 1.00 0.00 C ATOM 1685 O VAL A 110 -2.830 -12.933 4.960 1.00 0.00 O ATOM 1686 CB VAL A 110 -4.333 -10.520 2.907 1.00 0.00 C ATOM 1687 CG1 VAL A 110 -5.550 -9.599 2.729 1.00 0.00 C ATOM 1688 CG2 VAL A 110 -3.107 -9.655 3.255 1.00 0.00 C ATOM 0 H VAL A 110 -3.768 -11.017 5.710 1.00 0.00 H new ATOM 0 HA VAL A 110 -5.524 -12.131 3.624 1.00 0.00 H new ATOM 0 HB VAL A 110 -4.135 -11.041 1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -5.314 -8.820 2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.399 -10.182 2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.802 -9.140 3.685 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.984 -8.878 2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -3.253 -9.193 4.231 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.215 -10.281 3.280 1.00 0.00 H new ATOM 1698 N LEU A 111 -3.216 -13.359 2.795 1.00 0.00 N ATOM 1699 CA LEU A 111 -2.014 -14.157 2.567 1.00 0.00 C ATOM 1700 C LEU A 111 -1.171 -13.499 1.466 1.00 0.00 C ATOM 1701 O LEU A 111 -1.658 -12.648 0.717 1.00 0.00 O ATOM 1702 CB LEU A 111 -2.420 -15.563 2.082 1.00 0.00 C ATOM 1703 CG LEU A 111 -2.830 -16.664 3.056 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -1.655 -17.250 3.832 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -3.950 -16.229 3.988 1.00 0.00 C ATOM 0 H LEU A 111 -3.850 -13.347 1.996 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.445 -14.224 3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -3.251 -15.430 1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.582 -15.951 1.503 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.220 -17.468 2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -2.015 -18.027 4.506 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.936 -17.680 3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -1.172 -16.463 4.411 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.203 -17.049 4.660 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.624 -15.369 4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.827 -15.957 3.401 1.00 0.00 H new ATOM 1717 N LEU A 112 0.069 -13.963 1.319 1.00 0.00 N ATOM 1718 CA LEU A 112 1.102 -13.584 0.362 1.00 0.00 C ATOM 1719 C LEU A 112 1.680 -14.858 -0.251 1.00 0.00 C ATOM 1720 O LEU A 112 1.916 -15.826 0.462 1.00 0.00 O ATOM 1721 CB LEU A 112 2.235 -12.875 1.125 1.00 0.00 C ATOM 1722 CG LEU A 112 3.433 -12.473 0.236 1.00 0.00 C ATOM 1723 CD1 LEU A 112 3.023 -11.699 -1.028 1.00 0.00 C ATOM 1724 CD2 LEU A 112 4.442 -11.638 1.027 1.00 0.00 C ATOM 0 H LEU A 112 0.410 -14.697 1.940 1.00 0.00 H new ATOM 0 HA LEU A 112 0.685 -12.935 -0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.834 -11.981 1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.589 -13.530 1.921 1.00 0.00 H new ATOM 0 HG LEU A 112 3.887 -13.410 -0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.913 -11.448 -1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.359 -12.316 -1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.506 -10.783 -0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 112 5.276 -11.367 0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.958 -10.733 1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 112 4.812 -12.219 1.872 1.00 0.00 H new ATOM 1736 N ARG A 113 1.953 -14.864 -1.553 1.00 0.00 N ATOM 1737 CA ARG A 113 2.524 -15.999 -2.276 1.00 0.00 C ATOM 1738 C ARG A 113 3.799 -16.583 -1.652 1.00 0.00 C ATOM 1739 O ARG A 113 4.743 -15.839 -1.369 1.00 0.00 O ATOM 1740 CB ARG A 113 2.726 -15.627 -3.745 1.00 0.00 C ATOM 1741 CG ARG A 113 3.627 -14.411 -4.012 1.00 0.00 C ATOM 1742 CD ARG A 113 3.124 -13.767 -5.303 1.00 0.00 C ATOM 1743 NE ARG A 113 3.702 -12.437 -5.594 1.00 0.00 N ATOM 1744 CZ ARG A 113 4.770 -12.169 -6.360 1.00 0.00 C ATOM 1745 NH1 ARG A 113 5.594 -13.130 -6.751 1.00 0.00 N ATOM 1746 NH2 ARG A 113 5.026 -10.913 -6.722 1.00 0.00 N ATOM 0 H ARG A 113 1.779 -14.057 -2.152 1.00 0.00 H new ATOM 0 HA ARG A 113 1.799 -16.809 -2.200 1.00 0.00 H new ATOM 0 HB2 ARG A 113 3.148 -16.488 -4.263 1.00 0.00 H new ATOM 0 HB3 ARG A 113 1.749 -15.435 -4.189 1.00 0.00 H new ATOM 0 HG2 ARG A 113 3.579 -13.705 -3.183 1.00 0.00 H new ATOM 0 HG3 ARG A 113 4.669 -14.716 -4.112 1.00 0.00 H new ATOM 0 HD2 ARG A 113 3.344 -14.434 -6.136 1.00 0.00 H new ATOM 0 HD3 ARG A 113 2.039 -13.673 -5.248 1.00 0.00 H new ATOM 0 HE ARG A 113 3.238 -11.636 -5.165 1.00 0.00 H new ATOM 0 HH11 ARG A 113 5.422 -14.095 -6.470 1.00 0.00 H new ATOM 0 HH12 ARG A 113 6.400 -12.905 -7.333 1.00 0.00 H new ATOM 0 HH21 ARG A 113 4.411 -10.159 -6.417 1.00 0.00 H new ATOM 0 HH22 ARG A 113 5.837 -10.705 -7.304 1.00 0.00 H new