USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 809 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 18 GLN : amide:sc= -0.108 K(o=-1.3,f=-2.7!) USER MOD Set 1.2: A 95 TYR OH : rot -150:sc= -1.24 USER MOD Set 2.1: A 83 HIS : no HD1:sc= -20! C(o=-23!,f=-26!) USER MOD Set 2.2: A 98 GLN : amide:sc= -3.05! C(o=-23!,f=-25!) USER MOD Set 3.1: A 29 ASN : amide:sc= -0.0789 X(o=-0.13,f=-0.49!) USER MOD Set 3.2: A 31 SER OG : rot 180:sc= -0.0543 USER MOD Single : A 9 GLN : amide:sc= -0.182 K(o=-0.18,f=-1.7!) USER MOD Single : A 10 MET CE :methyl -119:sc= -5.63! (180deg=-10.9!) USER MOD Single : A 13 MET CE :methyl -135:sc= -5.48! (180deg=-6.38!) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 166:sc= 0.471 (180deg=0.389) USER MOD Single : A 20 MET CE :methyl 180:sc= -1.87 (180deg=-1.87) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -2.77 K(o=-2.8,f=-7.8!) USER MOD Single : A 34 ASN : amide:sc= -0.0206 K(o=-0.021,f=-1.6!) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.245 USER MOD Single : A 37 CYS SG : rot 128:sc= -2.7! USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS :FLIP no HD1:sc= -2.93 F(o=-3.5,f=-2.9) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -175:sc= 0.688 (180deg=0.681) USER MOD Single : A 90 GLN : amide:sc= -2.63! C(o=-2.6!,f=-6.4!) USER MOD Single : A 93 LYS NZ :NH3+ 157:sc= -1.36 (180deg=-1.83) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl 156:sc= -7.74! (180deg=-9.07!) USER MOD Single : A 106 SER OG : rot 102:sc= 0.102 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 1.26 K(o=1.3,f=-0.053) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -5.112 -14.085 1.702 1.00 0.00 N ATOM 67 CA GLU A 8 -5.630 -12.936 2.427 1.00 0.00 C ATOM 68 C GLU A 8 -5.713 -11.719 1.503 1.00 0.00 C ATOM 69 O GLU A 8 -4.693 -11.230 1.021 1.00 0.00 O ATOM 70 CB GLU A 8 -4.773 -12.633 3.657 1.00 0.00 C ATOM 71 CG GLU A 8 -5.411 -13.206 4.924 1.00 0.00 C ATOM 72 CD GLU A 8 -6.522 -12.290 5.441 1.00 0.00 C ATOM 73 OE1 GLU A 8 -6.344 -11.058 5.322 1.00 0.00 O ATOM 74 OE2 GLU A 8 -7.525 -12.842 5.943 1.00 0.00 O ATOM 0 HA GLU A 8 -6.636 -13.173 2.775 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.777 -13.056 3.524 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.650 -11.555 3.763 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.818 -14.195 4.715 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.650 -13.331 5.694 1.00 0.00 H new ATOM 81 N GLN A 9 -6.939 -11.266 1.284 1.00 0.00 N ATOM 82 CA GLN A 9 -7.169 -10.115 0.427 1.00 0.00 C ATOM 83 C GLN A 9 -7.290 -8.843 1.267 1.00 0.00 C ATOM 84 O GLN A 9 -7.808 -8.878 2.383 1.00 0.00 O ATOM 85 CB GLN A 9 -8.411 -10.319 -0.442 1.00 0.00 C ATOM 86 CG GLN A 9 -8.311 -11.617 -1.247 1.00 0.00 C ATOM 87 CD GLN A 9 -9.696 -12.222 -1.485 1.00 0.00 C ATOM 88 OE1 GLN A 9 -10.611 -12.075 -0.692 1.00 0.00 O ATOM 89 NE2 GLN A 9 -9.797 -12.910 -2.619 1.00 0.00 N ATOM 0 H GLN A 9 -7.783 -11.675 1.685 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.313 -10.006 -0.239 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.300 -10.346 0.188 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -8.527 -9.474 -1.121 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -7.827 -11.420 -2.204 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.684 -12.332 -0.714 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.991 -12.994 -3.238 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.681 -13.354 -2.869 1.00 0.00 H new ATOM 98 N MET A 10 -6.804 -7.748 0.700 1.00 0.00 N ATOM 99 CA MET A 10 -6.852 -6.467 1.383 1.00 0.00 C ATOM 100 C MET A 10 -6.908 -5.312 0.381 1.00 0.00 C ATOM 101 O MET A 10 -6.193 -5.320 -0.620 1.00 0.00 O ATOM 102 CB MET A 10 -5.614 -6.314 2.270 1.00 0.00 C ATOM 103 CG MET A 10 -5.614 -4.961 2.983 1.00 0.00 C ATOM 104 SD MET A 10 -5.118 -5.167 4.685 1.00 0.00 S ATOM 105 CE MET A 10 -5.408 -3.515 5.295 1.00 0.00 C ATOM 0 H MET A 10 -6.375 -7.722 -0.225 1.00 0.00 H new ATOM 0 HA MET A 10 -7.754 -6.437 1.994 1.00 0.00 H new ATOM 0 HB2 MET A 10 -5.589 -7.117 3.007 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.714 -6.409 1.663 1.00 0.00 H new ATOM 0 HG2 MET A 10 -4.934 -4.275 2.478 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.608 -4.516 2.937 1.00 0.00 H new ATOM 0 HE1 MET A 10 -4.471 -3.090 5.654 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.803 -2.894 4.491 1.00 0.00 H new ATOM 0 HE3 MET A 10 -6.127 -3.550 6.113 1.00 0.00 H new ATOM 115 N GLU A 11 -7.764 -4.348 0.684 1.00 0.00 N ATOM 116 CA GLU A 11 -7.922 -3.189 -0.178 1.00 0.00 C ATOM 117 C GLU A 11 -8.434 -1.993 0.628 1.00 0.00 C ATOM 118 O GLU A 11 -9.393 -2.117 1.388 1.00 0.00 O ATOM 119 CB GLU A 11 -8.856 -3.501 -1.349 1.00 0.00 C ATOM 120 CG GLU A 11 -10.109 -4.236 -0.870 1.00 0.00 C ATOM 121 CD GLU A 11 -10.917 -4.772 -2.055 1.00 0.00 C ATOM 122 OE1 GLU A 11 -10.298 -5.449 -2.904 1.00 0.00 O ATOM 123 OE2 GLU A 11 -12.135 -4.492 -2.084 1.00 0.00 O ATOM 0 H GLU A 11 -8.356 -4.345 1.515 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.947 -2.932 -0.591 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.142 -2.575 -1.848 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.331 -4.111 -2.085 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.824 -5.061 -0.217 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.728 -3.561 -0.279 1.00 0.00 H new ATOM 130 N GLY A 12 -7.770 -0.863 0.435 1.00 0.00 N ATOM 131 CA GLY A 12 -8.146 0.354 1.135 1.00 0.00 C ATOM 132 C GLY A 12 -7.357 1.555 0.609 1.00 0.00 C ATOM 133 O GLY A 12 -6.376 1.389 -0.115 1.00 0.00 O ATOM 0 H GLY A 12 -6.974 -0.764 -0.196 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.214 0.534 1.012 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.964 0.234 2.203 1.00 0.00 H new ATOM 137 N MET A 13 -7.815 2.737 0.993 1.00 0.00 N ATOM 138 CA MET A 13 -7.164 3.965 0.569 1.00 0.00 C ATOM 139 C MET A 13 -5.816 4.142 1.270 1.00 0.00 C ATOM 140 O MET A 13 -5.762 4.300 2.488 1.00 0.00 O ATOM 141 CB MET A 13 -8.067 5.158 0.890 1.00 0.00 C ATOM 142 CG MET A 13 -7.618 6.406 0.127 1.00 0.00 C ATOM 143 SD MET A 13 -8.898 6.923 -1.005 1.00 0.00 S ATOM 144 CE MET A 13 -8.154 6.443 -2.555 1.00 0.00 C ATOM 0 H MET A 13 -8.629 2.871 1.593 1.00 0.00 H new ATOM 0 HA MET A 13 -6.988 3.909 -0.505 1.00 0.00 H new ATOM 0 HB2 MET A 13 -9.098 4.919 0.629 1.00 0.00 H new ATOM 0 HB3 MET A 13 -8.047 5.356 1.962 1.00 0.00 H new ATOM 0 HG2 MET A 13 -7.395 7.210 0.828 1.00 0.00 H new ATOM 0 HG3 MET A 13 -6.699 6.196 -0.421 1.00 0.00 H new ATOM 0 HE1 MET A 13 -8.273 7.248 -3.281 1.00 0.00 H new ATOM 0 HE2 MET A 13 -7.093 6.246 -2.403 1.00 0.00 H new ATOM 0 HE3 MET A 13 -8.641 5.542 -2.929 1.00 0.00 H new ATOM 154 N LEU A 14 -4.760 4.108 0.470 1.00 0.00 N ATOM 155 CA LEU A 14 -3.416 4.262 0.998 1.00 0.00 C ATOM 156 C LEU A 14 -2.658 5.294 0.160 1.00 0.00 C ATOM 157 O LEU A 14 -2.922 5.446 -1.031 1.00 0.00 O ATOM 158 CB LEU A 14 -2.714 2.905 1.083 1.00 0.00 C ATOM 159 CG LEU A 14 -2.592 2.300 2.483 1.00 0.00 C ATOM 160 CD1 LEU A 14 -3.930 2.354 3.223 1.00 0.00 C ATOM 161 CD2 LEU A 14 -2.030 0.878 2.419 1.00 0.00 C ATOM 0 H LEU A 14 -4.809 3.976 -0.540 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.450 4.642 2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.252 2.200 0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.713 3.009 0.665 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.884 2.901 3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.815 1.918 4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.252 3.391 3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.678 1.792 2.664 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.953 0.471 3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.694 0.251 1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.042 0.898 1.960 1.00 0.00 H new ATOM 173 N CYS A 15 -1.732 5.977 0.817 1.00 0.00 N ATOM 174 CA CYS A 15 -0.934 6.990 0.147 1.00 0.00 C ATOM 175 C CYS A 15 0.290 6.309 -0.468 1.00 0.00 C ATOM 176 O CYS A 15 1.296 6.104 0.209 1.00 0.00 O ATOM 177 CB CYS A 15 -0.540 8.121 1.100 1.00 0.00 C ATOM 178 SG CYS A 15 -1.088 9.730 0.423 1.00 0.00 S ATOM 0 H CYS A 15 -1.517 5.849 1.806 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.523 7.457 -0.642 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -0.991 7.957 2.079 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.540 8.127 1.244 1.00 0.00 H new ATOM 0 HG CYS A 15 -0.750 10.683 1.241 1.00 0.00 H new ATOM 184 N ARG A 16 0.164 5.978 -1.745 1.00 0.00 N ATOM 185 CA ARG A 16 1.247 5.324 -2.459 1.00 0.00 C ATOM 186 C ARG A 16 2.191 6.367 -3.061 1.00 0.00 C ATOM 187 O ARG A 16 1.782 7.171 -3.898 1.00 0.00 O ATOM 188 CB ARG A 16 0.709 4.428 -3.576 1.00 0.00 C ATOM 189 CG ARG A 16 1.840 3.638 -4.238 1.00 0.00 C ATOM 190 CD ARG A 16 1.628 3.539 -5.750 1.00 0.00 C ATOM 191 NE ARG A 16 1.917 4.843 -6.388 1.00 0.00 N ATOM 192 CZ ARG A 16 1.684 5.115 -7.679 1.00 0.00 C ATOM 193 NH1 ARG A 16 1.157 4.177 -8.477 1.00 0.00 N ATOM 194 NH2 ARG A 16 1.977 6.326 -8.172 1.00 0.00 N ATOM 0 H ARG A 16 -0.672 6.151 -2.303 1.00 0.00 H new ATOM 0 HA ARG A 16 1.790 4.706 -1.744 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.031 3.739 -3.170 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.201 5.038 -4.323 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.795 4.121 -4.032 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.890 2.638 -3.808 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.277 2.769 -6.167 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.602 3.240 -5.963 1.00 0.00 H new ATOM 0 HE ARG A 16 2.319 5.580 -5.809 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.933 3.255 -8.102 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.980 4.384 -9.460 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.377 7.041 -7.564 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.800 6.533 -9.155 1.00 0.00 H new ATOM 208 N LYS A 17 3.437 6.320 -2.613 1.00 0.00 N ATOM 209 CA LYS A 17 4.442 7.251 -3.097 1.00 0.00 C ATOM 210 C LYS A 17 5.626 6.466 -3.666 1.00 0.00 C ATOM 211 O LYS A 17 6.519 6.058 -2.925 1.00 0.00 O ATOM 212 CB LYS A 17 4.833 8.239 -1.996 1.00 0.00 C ATOM 213 CG LYS A 17 5.792 9.304 -2.530 1.00 0.00 C ATOM 214 CD LYS A 17 6.750 9.778 -1.435 1.00 0.00 C ATOM 215 CE LYS A 17 8.194 9.401 -1.769 1.00 0.00 C ATOM 216 NZ LYS A 17 9.115 10.500 -1.401 1.00 0.00 N ATOM 0 H LYS A 17 3.773 5.652 -1.920 1.00 0.00 H new ATOM 0 HA LYS A 17 4.040 7.857 -3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.938 8.717 -1.597 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.302 7.703 -1.171 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.362 8.899 -3.366 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.223 10.152 -2.913 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.670 10.859 -1.320 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.466 9.334 -0.481 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.471 8.492 -1.235 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.283 9.185 -2.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.094 10.150 -1.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.020 11.277 -2.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.879 10.847 -0.449 1.00 0.00 H new ATOM 230 N GLN A 18 5.594 6.278 -4.977 1.00 0.00 N ATOM 231 CA GLN A 18 6.653 5.549 -5.655 1.00 0.00 C ATOM 232 C GLN A 18 7.997 6.248 -5.444 1.00 0.00 C ATOM 233 O GLN A 18 8.213 7.351 -5.943 1.00 0.00 O ATOM 234 CB GLN A 18 6.344 5.392 -7.145 1.00 0.00 C ATOM 235 CG GLN A 18 7.490 4.684 -7.871 1.00 0.00 C ATOM 236 CD GLN A 18 6.958 3.769 -8.976 1.00 0.00 C ATOM 237 OE1 GLN A 18 5.814 3.857 -9.392 1.00 0.00 O ATOM 238 NE2 GLN A 18 7.848 2.889 -9.425 1.00 0.00 N ATOM 0 H GLN A 18 4.851 6.618 -5.588 1.00 0.00 H new ATOM 0 HA GLN A 18 6.714 4.550 -5.224 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.423 4.823 -7.271 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.177 6.373 -7.591 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.165 5.424 -8.301 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.071 4.099 -7.158 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.789 2.870 -9.032 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.590 2.233 -10.162 1.00 0.00 H new ATOM 247 N GLU A 19 8.867 5.576 -4.703 1.00 0.00 N ATOM 248 CA GLU A 19 10.185 6.119 -4.420 1.00 0.00 C ATOM 249 C GLU A 19 11.195 5.631 -5.460 1.00 0.00 C ATOM 250 O GLU A 19 11.847 6.436 -6.123 1.00 0.00 O ATOM 251 CB GLU A 19 10.636 5.754 -3.004 1.00 0.00 C ATOM 252 CG GLU A 19 9.784 6.471 -1.955 1.00 0.00 C ATOM 253 CD GLU A 19 10.621 7.479 -1.166 1.00 0.00 C ATOM 254 OE1 GLU A 19 11.104 8.440 -1.804 1.00 0.00 O ATOM 255 OE2 GLU A 19 10.759 7.267 0.059 1.00 0.00 O ATOM 0 H GLU A 19 8.685 4.661 -4.290 1.00 0.00 H new ATOM 0 HA GLU A 19 10.129 7.206 -4.479 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.563 4.676 -2.862 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.684 6.023 -2.872 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.955 6.984 -2.443 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.349 5.740 -1.273 1.00 0.00 H new ATOM 262 N MET A 20 11.293 4.314 -5.570 1.00 0.00 N ATOM 263 CA MET A 20 12.213 3.709 -6.519 1.00 0.00 C ATOM 264 C MET A 20 11.459 2.885 -7.564 1.00 0.00 C ATOM 265 O MET A 20 10.345 2.429 -7.314 1.00 0.00 O ATOM 266 CB MET A 20 13.198 2.808 -5.771 1.00 0.00 C ATOM 267 CG MET A 20 14.083 3.626 -4.829 1.00 0.00 C ATOM 268 SD MET A 20 15.202 4.646 -5.774 1.00 0.00 S ATOM 269 CE MET A 20 16.446 3.436 -6.192 1.00 0.00 C ATOM 0 H MET A 20 10.751 3.649 -5.018 1.00 0.00 H new ATOM 0 HA MET A 20 12.753 4.505 -7.032 1.00 0.00 H new ATOM 0 HB2 MET A 20 12.650 2.058 -5.201 1.00 0.00 H new ATOM 0 HB3 MET A 20 13.821 2.271 -6.487 1.00 0.00 H new ATOM 0 HG2 MET A 20 13.463 4.251 -4.186 1.00 0.00 H new ATOM 0 HG3 MET A 20 14.648 2.960 -4.177 1.00 0.00 H new ATOM 0 HE1 MET A 20 17.228 3.908 -6.787 1.00 0.00 H new ATOM 0 HE2 MET A 20 16.881 3.031 -5.278 1.00 0.00 H new ATOM 0 HE3 MET A 20 15.990 2.629 -6.766 1.00 0.00 H new ATOM 279 N GLU A 21 12.098 2.720 -8.713 1.00 0.00 N ATOM 280 CA GLU A 21 11.501 1.959 -9.798 1.00 0.00 C ATOM 281 C GLU A 21 12.268 0.653 -10.015 1.00 0.00 C ATOM 282 O GLU A 21 11.802 -0.234 -10.727 1.00 0.00 O ATOM 283 CB GLU A 21 11.450 2.785 -11.085 1.00 0.00 C ATOM 284 CG GLU A 21 11.281 1.883 -12.309 1.00 0.00 C ATOM 285 CD GLU A 21 10.719 2.670 -13.495 1.00 0.00 C ATOM 286 OE1 GLU A 21 9.920 3.595 -13.236 1.00 0.00 O ATOM 287 OE2 GLU A 21 11.102 2.328 -14.635 1.00 0.00 O ATOM 0 H GLU A 21 13.023 3.100 -8.916 1.00 0.00 H new ATOM 0 HA GLU A 21 10.475 1.714 -9.522 1.00 0.00 H new ATOM 0 HB2 GLU A 21 10.623 3.494 -11.034 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.365 3.369 -11.183 1.00 0.00 H new ATOM 0 HG2 GLU A 21 12.243 1.447 -12.580 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.613 1.056 -12.067 1.00 0.00 H new ATOM 294 N ALA A 22 13.433 0.577 -9.387 1.00 0.00 N ATOM 295 CA ALA A 22 14.269 -0.606 -9.503 1.00 0.00 C ATOM 296 C ALA A 22 15.599 -0.356 -8.789 1.00 0.00 C ATOM 297 O ALA A 22 15.865 0.757 -8.336 1.00 0.00 O ATOM 298 CB ALA A 22 14.457 -0.956 -10.980 1.00 0.00 C ATOM 0 H ALA A 22 13.817 1.315 -8.797 1.00 0.00 H new ATOM 0 HA ALA A 22 13.793 -1.461 -9.024 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.084 -1.843 -11.067 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.486 -1.152 -11.434 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.935 -0.122 -11.493 1.00 0.00 H new ATOM 304 N PHE A 23 16.400 -1.409 -8.712 1.00 0.00 N ATOM 305 CA PHE A 23 17.696 -1.317 -8.061 1.00 0.00 C ATOM 306 C PHE A 23 18.461 -0.079 -8.534 1.00 0.00 C ATOM 307 O PHE A 23 18.784 0.042 -9.715 1.00 0.00 O ATOM 308 CB PHE A 23 18.483 -2.569 -8.454 1.00 0.00 C ATOM 309 CG PHE A 23 17.787 -3.882 -8.088 1.00 0.00 C ATOM 310 CD1 PHE A 23 17.550 -4.185 -6.783 1.00 0.00 C ATOM 311 CD2 PHE A 23 17.406 -4.745 -9.067 1.00 0.00 C ATOM 312 CE1 PHE A 23 16.904 -5.403 -6.444 1.00 0.00 C ATOM 313 CE2 PHE A 23 16.760 -5.964 -8.727 1.00 0.00 C ATOM 314 CZ PHE A 23 16.523 -6.267 -7.423 1.00 0.00 C ATOM 0 H PHE A 23 16.177 -2.330 -9.090 1.00 0.00 H new ATOM 0 HA PHE A 23 17.566 -1.240 -6.982 1.00 0.00 H new ATOM 0 HB2 PHE A 23 18.661 -2.551 -9.529 1.00 0.00 H new ATOM 0 HB3 PHE A 23 19.459 -2.539 -7.969 1.00 0.00 H new ATOM 0 HD1 PHE A 23 17.853 -3.499 -6.005 1.00 0.00 H new ATOM 0 HD2 PHE A 23 17.594 -4.504 -10.103 1.00 0.00 H new ATOM 0 HE1 PHE A 23 16.715 -5.644 -5.408 1.00 0.00 H new ATOM 0 HE2 PHE A 23 16.457 -6.650 -9.504 1.00 0.00 H new ATOM 0 HZ PHE A 23 16.032 -7.194 -7.164 1.00 0.00 H new ATOM 324 N GLY A 24 18.728 0.809 -7.588 1.00 0.00 N ATOM 325 CA GLY A 24 19.449 2.033 -7.892 1.00 0.00 C ATOM 326 C GLY A 24 18.701 2.864 -8.937 1.00 0.00 C ATOM 327 O GLY A 24 19.263 3.794 -9.514 1.00 0.00 O ATOM 0 H GLY A 24 18.458 0.705 -6.610 1.00 0.00 H new ATOM 0 HA2 GLY A 24 19.579 2.618 -6.982 1.00 0.00 H new ATOM 0 HA3 GLY A 24 20.446 1.790 -8.260 1.00 0.00 H new ATOM 331 N LYS A 25 17.445 2.500 -9.147 1.00 0.00 N ATOM 332 CA LYS A 25 16.614 3.200 -10.111 1.00 0.00 C ATOM 333 C LYS A 25 15.699 4.179 -9.374 1.00 0.00 C ATOM 334 O LYS A 25 14.992 3.794 -8.444 1.00 0.00 O ATOM 335 CB LYS A 25 15.862 2.203 -10.996 1.00 0.00 C ATOM 336 CG LYS A 25 14.783 2.907 -11.821 1.00 0.00 C ATOM 337 CD LYS A 25 15.277 3.189 -13.242 1.00 0.00 C ATOM 338 CE LYS A 25 16.075 4.493 -13.296 1.00 0.00 C ATOM 339 NZ LYS A 25 17.220 4.361 -14.223 1.00 0.00 N ATOM 0 H LYS A 25 16.982 1.729 -8.666 1.00 0.00 H new ATOM 0 HA LYS A 25 17.232 3.789 -10.789 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.564 1.701 -11.662 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.405 1.433 -10.375 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.887 2.287 -11.860 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.503 3.843 -11.337 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.900 2.363 -13.585 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.427 3.250 -13.921 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.429 5.309 -13.621 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.434 4.748 -12.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.751 5.255 -14.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 17.844 3.596 -13.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 16.870 4.139 -15.177 1.00 0.00 H new ATOM 353 N LYS A 26 15.741 5.427 -9.816 1.00 0.00 N ATOM 354 CA LYS A 26 14.924 6.465 -9.210 1.00 0.00 C ATOM 355 C LYS A 26 13.636 6.631 -10.017 1.00 0.00 C ATOM 356 O LYS A 26 13.661 6.598 -11.247 1.00 0.00 O ATOM 357 CB LYS A 26 15.727 7.759 -9.059 1.00 0.00 C ATOM 358 CG LYS A 26 16.046 8.369 -10.425 1.00 0.00 C ATOM 359 CD LYS A 26 17.513 8.145 -10.797 1.00 0.00 C ATOM 360 CE LYS A 26 18.299 9.456 -10.741 1.00 0.00 C ATOM 361 NZ LYS A 26 19.676 9.257 -11.246 1.00 0.00 N ATOM 0 H LYS A 26 16.329 5.743 -10.587 1.00 0.00 H new ATOM 0 HA LYS A 26 14.632 6.179 -8.200 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.162 8.474 -8.461 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.654 7.556 -8.522 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.403 7.925 -11.185 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.830 9.437 -10.409 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.958 7.420 -10.115 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.577 7.721 -11.799 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.793 10.216 -11.337 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.331 9.824 -9.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 20.196 10.157 -11.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 20.161 8.547 -10.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.640 8.927 -12.232 1.00 0.00 H new ATOM 375 N ALA A 27 12.540 6.806 -9.294 1.00 0.00 N ATOM 376 CA ALA A 27 11.244 6.978 -9.928 1.00 0.00 C ATOM 377 C ALA A 27 11.121 8.411 -10.448 1.00 0.00 C ATOM 378 O ALA A 27 11.407 9.365 -9.726 1.00 0.00 O ATOM 379 CB ALA A 27 10.137 6.623 -8.932 1.00 0.00 C ATOM 0 H ALA A 27 12.523 6.832 -8.274 1.00 0.00 H new ATOM 0 HA ALA A 27 11.143 6.308 -10.782 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.165 6.752 -9.407 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.251 5.586 -8.615 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.206 7.278 -8.063 1.00 0.00 H new ATOM 385 N ALA A 28 10.696 8.518 -11.699 1.00 0.00 N ATOM 386 CA ALA A 28 10.532 9.819 -12.325 1.00 0.00 C ATOM 387 C ALA A 28 9.898 10.786 -11.323 1.00 0.00 C ATOM 388 O ALA A 28 10.510 11.784 -10.945 1.00 0.00 O ATOM 389 CB ALA A 28 9.699 9.672 -13.600 1.00 0.00 C ATOM 0 H ALA A 28 10.460 7.725 -12.296 1.00 0.00 H new ATOM 0 HA ALA A 28 11.499 10.230 -12.614 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.576 10.648 -14.069 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.207 8.999 -14.291 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.720 9.264 -13.350 1.00 0.00 H new ATOM 395 N ASN A 29 8.679 10.457 -10.921 1.00 0.00 N ATOM 396 CA ASN A 29 7.955 11.283 -9.971 1.00 0.00 C ATOM 397 C ASN A 29 7.843 10.541 -8.637 1.00 0.00 C ATOM 398 O ASN A 29 7.514 9.356 -8.609 1.00 0.00 O ATOM 399 CB ASN A 29 6.539 11.581 -10.466 1.00 0.00 C ATOM 400 CG ASN A 29 5.913 12.734 -9.678 1.00 0.00 C ATOM 401 OD1 ASN A 29 6.592 13.584 -9.128 1.00 0.00 O ATOM 402 ND2 ASN A 29 4.583 12.715 -9.656 1.00 0.00 N ATOM 0 H ASN A 29 8.174 9.629 -11.237 1.00 0.00 H new ATOM 0 HA ASN A 29 8.501 12.219 -9.855 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.566 11.833 -11.526 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.920 10.689 -10.366 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.071 13.442 -9.157 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.076 11.973 -10.138 1.00 0.00 H new ATOM 409 N ARG A 30 8.121 11.269 -7.566 1.00 0.00 N ATOM 410 CA ARG A 30 8.056 10.694 -6.233 1.00 0.00 C ATOM 411 C ARG A 30 7.182 11.560 -5.324 1.00 0.00 C ATOM 412 O ARG A 30 7.594 11.922 -4.223 1.00 0.00 O ATOM 413 CB ARG A 30 9.451 10.567 -5.619 1.00 0.00 C ATOM 414 CG ARG A 30 10.309 9.575 -6.407 1.00 0.00 C ATOM 415 CD ARG A 30 11.798 9.890 -6.246 1.00 0.00 C ATOM 416 NE ARG A 30 12.168 11.036 -7.106 1.00 0.00 N ATOM 417 CZ ARG A 30 12.221 12.307 -6.684 1.00 0.00 C ATOM 418 NH1 ARG A 30 11.927 12.601 -5.410 1.00 0.00 N ATOM 419 NH2 ARG A 30 12.567 13.282 -7.534 1.00 0.00 N ATOM 0 H ARG A 30 8.392 12.252 -7.594 1.00 0.00 H new ATOM 0 HA ARG A 30 7.620 9.699 -6.322 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.937 11.543 -5.606 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.368 10.238 -4.583 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.109 8.561 -6.062 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.038 9.612 -7.462 1.00 0.00 H new ATOM 0 HD2 ARG A 30 12.019 10.120 -5.204 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.394 9.017 -6.513 1.00 0.00 H new ATOM 0 HE ARG A 30 12.397 10.847 -8.082 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.663 11.858 -4.763 1.00 0.00 H new ATOM 0 HH12 ARG A 30 11.967 13.568 -5.087 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.791 13.058 -8.504 1.00 0.00 H new ATOM 0 HH22 ARG A 30 12.607 14.249 -7.212 1.00 0.00 H new ATOM 433 N SER A 31 5.992 11.868 -5.818 1.00 0.00 N ATOM 434 CA SER A 31 5.057 12.685 -5.064 1.00 0.00 C ATOM 435 C SER A 31 4.068 11.792 -4.313 1.00 0.00 C ATOM 436 O SER A 31 3.885 10.628 -4.668 1.00 0.00 O ATOM 437 CB SER A 31 4.308 13.654 -5.981 1.00 0.00 C ATOM 438 OG SER A 31 5.181 14.300 -6.903 1.00 0.00 O ATOM 0 H SER A 31 5.654 11.566 -6.732 1.00 0.00 H new ATOM 0 HA SER A 31 5.623 13.275 -4.343 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.538 13.112 -6.530 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.799 14.405 -5.377 1.00 0.00 H new ATOM 0 HG SER A 31 4.664 14.909 -7.471 1.00 0.00 H new ATOM 444 N TRP A 32 3.455 12.369 -3.290 1.00 0.00 N ATOM 445 CA TRP A 32 2.489 11.640 -2.487 1.00 0.00 C ATOM 446 C TRP A 32 1.123 11.763 -3.163 1.00 0.00 C ATOM 447 O TRP A 32 0.676 12.867 -3.472 1.00 0.00 O ATOM 448 CB TRP A 32 2.489 12.140 -1.041 1.00 0.00 C ATOM 449 CG TRP A 32 3.664 11.630 -0.205 1.00 0.00 C ATOM 450 CD1 TRP A 32 4.833 12.239 0.034 1.00 0.00 C ATOM 451 CD2 TRP A 32 3.737 10.371 0.497 1.00 0.00 C ATOM 452 NE1 TRP A 32 5.650 11.469 0.836 1.00 0.00 N ATOM 453 CE2 TRP A 32 4.963 10.297 1.126 1.00 0.00 C ATOM 454 CE3 TRP A 32 2.797 9.329 0.598 1.00 0.00 C ATOM 455 CZ2 TRP A 32 5.362 9.201 1.900 1.00 0.00 C ATOM 456 CZ3 TRP A 32 3.212 8.241 1.374 1.00 0.00 C ATOM 457 CH2 TRP A 32 4.443 8.151 2.014 1.00 0.00 C ATOM 0 H TRP A 32 3.609 13.334 -2.999 1.00 0.00 H new ATOM 0 HA TRP A 32 2.754 10.584 -2.429 1.00 0.00 H new ATOM 0 HB2 TRP A 32 2.505 13.230 -1.045 1.00 0.00 H new ATOM 0 HB3 TRP A 32 1.558 11.837 -0.563 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.102 13.211 -0.353 1.00 0.00 H new ATOM 0 HE1 TRP A 32 6.586 11.715 1.157 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.832 9.366 0.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.327 9.167 2.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 2.528 7.413 1.484 1.00 0.00 H new ATOM 0 HH2 TRP A 32 4.689 7.275 2.596 1.00 0.00 H new ATOM 468 N GLN A 33 0.496 10.615 -3.374 1.00 0.00 N ATOM 469 CA GLN A 33 -0.811 10.581 -4.008 1.00 0.00 C ATOM 470 C GLN A 33 -1.659 9.453 -3.417 1.00 0.00 C ATOM 471 O GLN A 33 -1.249 8.293 -3.427 1.00 0.00 O ATOM 472 CB GLN A 33 -0.681 10.432 -5.525 1.00 0.00 C ATOM 473 CG GLN A 33 -0.298 11.763 -6.176 1.00 0.00 C ATOM 474 CD GLN A 33 1.070 11.669 -6.854 1.00 0.00 C ATOM 475 OE1 GLN A 33 2.090 11.445 -6.223 1.00 0.00 O ATOM 476 NE2 GLN A 33 1.035 11.851 -8.171 1.00 0.00 N ATOM 0 H GLN A 33 0.869 9.701 -3.117 1.00 0.00 H new ATOM 0 HA GLN A 33 -1.313 11.528 -3.811 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.073 9.680 -5.757 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.624 10.077 -5.941 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.053 12.043 -6.910 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.280 12.549 -5.421 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.146 12.035 -8.637 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.897 11.807 -8.715 1.00 0.00 H new ATOM 485 N ASN A 34 -2.825 9.832 -2.916 1.00 0.00 N ATOM 486 CA ASN A 34 -3.734 8.866 -2.322 1.00 0.00 C ATOM 487 C ASN A 34 -4.180 7.867 -3.391 1.00 0.00 C ATOM 488 O ASN A 34 -5.013 8.189 -4.237 1.00 0.00 O ATOM 489 CB ASN A 34 -4.983 9.554 -1.767 1.00 0.00 C ATOM 490 CG ASN A 34 -4.630 10.463 -0.588 1.00 0.00 C ATOM 491 OD1 ASN A 34 -3.867 11.407 -0.705 1.00 0.00 O ATOM 492 ND2 ASN A 34 -5.227 10.126 0.552 1.00 0.00 N ATOM 0 H ASN A 34 -3.162 10.795 -2.909 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.208 8.363 -1.510 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.459 10.140 -2.553 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.705 8.802 -1.448 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -5.057 10.671 1.397 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.855 9.323 0.581 1.00 0.00 H new ATOM 499 N VAL A 35 -3.606 6.675 -3.318 1.00 0.00 N ATOM 500 CA VAL A 35 -3.934 5.627 -4.269 1.00 0.00 C ATOM 501 C VAL A 35 -4.553 4.443 -3.524 1.00 0.00 C ATOM 502 O VAL A 35 -3.974 3.938 -2.563 1.00 0.00 O ATOM 503 CB VAL A 35 -2.690 5.243 -5.074 1.00 0.00 C ATOM 504 CG1 VAL A 35 -3.013 4.146 -6.091 1.00 0.00 C ATOM 505 CG2 VAL A 35 -2.082 6.467 -5.761 1.00 0.00 C ATOM 0 H VAL A 35 -2.916 6.412 -2.615 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.673 5.981 -4.987 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.949 4.848 -4.379 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.112 3.891 -6.650 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.378 3.262 -5.569 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.779 4.503 -6.780 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.200 6.166 -6.326 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.815 6.905 -6.438 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.798 7.203 -5.009 1.00 0.00 H new ATOM 515 N TYR A 36 -5.722 4.034 -3.995 1.00 0.00 N ATOM 516 CA TYR A 36 -6.426 2.919 -3.385 1.00 0.00 C ATOM 517 C TYR A 36 -5.720 1.595 -3.684 1.00 0.00 C ATOM 518 O TYR A 36 -5.754 1.111 -4.814 1.00 0.00 O ATOM 519 CB TYR A 36 -7.816 2.898 -4.023 1.00 0.00 C ATOM 520 CG TYR A 36 -8.895 2.262 -3.145 1.00 0.00 C ATOM 521 CD1 TYR A 36 -9.230 2.839 -1.937 1.00 0.00 C ATOM 522 CD2 TYR A 36 -9.533 1.111 -3.561 1.00 0.00 C ATOM 523 CE1 TYR A 36 -10.245 2.240 -1.110 1.00 0.00 C ATOM 524 CE2 TYR A 36 -10.548 0.512 -2.734 1.00 0.00 C ATOM 525 CZ TYR A 36 -10.855 1.106 -1.549 1.00 0.00 C ATOM 526 OH TYR A 36 -11.814 0.540 -0.768 1.00 0.00 O ATOM 0 H TYR A 36 -6.199 4.455 -4.792 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.465 3.036 -2.302 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.111 3.920 -4.260 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.763 2.355 -4.966 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.731 3.740 -1.612 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.271 0.660 -4.507 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.516 2.681 -0.162 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.055 -0.389 -3.047 1.00 0.00 H new ATOM 0 HH TYR A 36 -12.163 -0.263 -1.208 1.00 0.00 H new ATOM 536 N CYS A 37 -5.097 1.047 -2.651 1.00 0.00 N ATOM 537 CA CYS A 37 -4.384 -0.211 -2.789 1.00 0.00 C ATOM 538 C CYS A 37 -5.411 -1.344 -2.822 1.00 0.00 C ATOM 539 O CYS A 37 -6.269 -1.435 -1.945 1.00 0.00 O ATOM 540 CB CYS A 37 -3.356 -0.405 -1.672 1.00 0.00 C ATOM 541 SG CYS A 37 -1.665 -0.172 -2.330 1.00 0.00 S ATOM 0 H CYS A 37 -5.071 1.451 -1.715 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.816 -0.209 -3.719 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.543 0.306 -0.867 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.455 -1.403 -1.245 1.00 0.00 H new ATOM 0 HG CYS A 37 -1.030 0.694 -1.598 1.00 0.00 H new ATOM 547 N VAL A 38 -5.291 -2.180 -3.843 1.00 0.00 N ATOM 548 CA VAL A 38 -6.198 -3.303 -4.002 1.00 0.00 C ATOM 549 C VAL A 38 -5.387 -4.589 -4.170 1.00 0.00 C ATOM 550 O VAL A 38 -4.807 -4.828 -5.228 1.00 0.00 O ATOM 551 CB VAL A 38 -7.154 -3.043 -5.168 1.00 0.00 C ATOM 552 CG1 VAL A 38 -8.003 -4.280 -5.468 1.00 0.00 C ATOM 553 CG2 VAL A 38 -8.038 -1.825 -4.892 1.00 0.00 C ATOM 0 H VAL A 38 -4.579 -2.102 -4.569 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.816 -3.423 -3.112 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.553 -2.827 -6.051 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.674 -4.068 -6.301 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.351 -5.114 -5.730 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.590 -4.541 -4.587 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.708 -1.663 -5.736 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.626 -1.999 -3.991 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.411 -0.945 -4.752 1.00 0.00 H new ATOM 563 N LEU A 39 -5.371 -5.384 -3.110 1.00 0.00 N ATOM 564 CA LEU A 39 -4.640 -6.640 -3.126 1.00 0.00 C ATOM 565 C LEU A 39 -5.605 -7.782 -3.447 1.00 0.00 C ATOM 566 O LEU A 39 -6.726 -7.814 -2.941 1.00 0.00 O ATOM 567 CB LEU A 39 -3.874 -6.831 -1.816 1.00 0.00 C ATOM 568 CG LEU A 39 -3.021 -8.097 -1.716 1.00 0.00 C ATOM 569 CD1 LEU A 39 -1.530 -7.756 -1.729 1.00 0.00 C ATOM 570 CD2 LEU A 39 -3.409 -8.925 -0.489 1.00 0.00 C ATOM 0 H LEU A 39 -5.853 -5.183 -2.234 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.884 -6.631 -3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.226 -5.967 -1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.592 -6.835 -0.996 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.218 -8.712 -2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.946 -8.674 -1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.283 -7.241 -2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.297 -7.110 -0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.787 -9.819 -0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.259 -8.331 0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.457 -9.215 -0.563 1.00 0.00 H new ATOM 582 N ARG A 40 -5.135 -8.693 -4.287 1.00 0.00 N ATOM 583 CA ARG A 40 -5.943 -9.835 -4.681 1.00 0.00 C ATOM 584 C ARG A 40 -5.138 -10.766 -5.591 1.00 0.00 C ATOM 585 O ARG A 40 -4.439 -10.306 -6.493 1.00 0.00 O ATOM 586 CB ARG A 40 -7.209 -9.387 -5.414 1.00 0.00 C ATOM 587 CG ARG A 40 -8.433 -10.155 -4.912 1.00 0.00 C ATOM 588 CD ARG A 40 -9.540 -9.194 -4.472 1.00 0.00 C ATOM 589 NE ARG A 40 -10.799 -9.940 -4.250 1.00 0.00 N ATOM 590 CZ ARG A 40 -11.956 -9.370 -3.886 1.00 0.00 C ATOM 591 NH1 ARG A 40 -12.021 -8.044 -3.703 1.00 0.00 N ATOM 592 NH2 ARG A 40 -13.048 -10.125 -3.707 1.00 0.00 N ATOM 0 H ARG A 40 -4.205 -8.663 -4.705 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.231 -10.367 -3.774 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.360 -8.318 -5.266 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.089 -9.547 -6.486 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.806 -10.808 -5.701 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.148 -10.795 -4.077 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.245 -8.681 -3.556 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.691 -8.428 -5.232 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.785 -10.951 -4.382 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.190 -7.469 -3.841 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.901 -7.610 -3.426 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.999 -11.134 -3.848 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.928 -9.691 -3.430 1.00 0.00 H new ATOM 606 N ARG A 41 -5.262 -12.057 -5.321 1.00 0.00 N ATOM 607 CA ARG A 41 -4.554 -13.056 -6.104 1.00 0.00 C ATOM 608 C ARG A 41 -3.043 -12.894 -5.930 1.00 0.00 C ATOM 609 O ARG A 41 -2.277 -13.145 -6.859 1.00 0.00 O ATOM 610 CB ARG A 41 -4.905 -12.942 -7.589 1.00 0.00 C ATOM 611 CG ARG A 41 -5.790 -14.108 -8.034 1.00 0.00 C ATOM 612 CD ARG A 41 -6.590 -13.743 -9.286 1.00 0.00 C ATOM 613 NE ARG A 41 -7.902 -13.177 -8.901 1.00 0.00 N ATOM 614 CZ ARG A 41 -8.987 -13.192 -9.687 1.00 0.00 C ATOM 615 NH1 ARG A 41 -8.923 -13.745 -10.906 1.00 0.00 N ATOM 616 NH2 ARG A 41 -10.136 -12.655 -9.254 1.00 0.00 N ATOM 0 H ARG A 41 -5.842 -12.434 -4.571 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.861 -14.038 -5.744 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.420 -11.999 -7.773 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.991 -12.927 -8.182 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.171 -14.982 -8.236 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.472 -14.379 -7.228 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.035 -13.021 -9.885 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.734 -14.628 -9.906 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.986 -12.748 -7.979 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.049 -14.154 -11.235 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.749 -13.757 -11.505 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.185 -12.235 -8.326 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.962 -12.667 -9.853 1.00 0.00 H new ATOM 630 N GLY A 42 -2.659 -12.476 -4.733 1.00 0.00 N ATOM 631 CA GLY A 42 -1.253 -12.278 -4.425 1.00 0.00 C ATOM 632 C GLY A 42 -0.677 -11.104 -5.220 1.00 0.00 C ATOM 633 O GLY A 42 0.535 -11.007 -5.402 1.00 0.00 O ATOM 0 H GLY A 42 -3.297 -12.269 -3.965 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.134 -12.092 -3.358 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.695 -13.186 -4.655 1.00 0.00 H new ATOM 637 N SER A 43 -1.575 -10.242 -5.674 1.00 0.00 N ATOM 638 CA SER A 43 -1.172 -9.079 -6.446 1.00 0.00 C ATOM 639 C SER A 43 -1.585 -7.798 -5.717 1.00 0.00 C ATOM 640 O SER A 43 -2.371 -7.844 -4.773 1.00 0.00 O ATOM 641 CB SER A 43 -1.781 -9.111 -7.849 1.00 0.00 C ATOM 642 OG SER A 43 -1.726 -10.413 -8.426 1.00 0.00 O ATOM 0 H SER A 43 -2.580 -10.326 -5.522 1.00 0.00 H new ATOM 0 HA SER A 43 -0.087 -9.097 -6.550 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.818 -8.779 -7.802 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.250 -8.408 -8.491 1.00 0.00 H new ATOM 0 HG SER A 43 -2.126 -10.392 -9.320 1.00 0.00 H new ATOM 648 N LEU A 44 -1.036 -6.686 -6.184 1.00 0.00 N ATOM 649 CA LEU A 44 -1.338 -5.396 -5.589 1.00 0.00 C ATOM 650 C LEU A 44 -1.635 -4.384 -6.698 1.00 0.00 C ATOM 651 O LEU A 44 -0.719 -3.889 -7.353 1.00 0.00 O ATOM 652 CB LEU A 44 -0.212 -4.964 -4.648 1.00 0.00 C ATOM 653 CG LEU A 44 -0.401 -3.614 -3.951 1.00 0.00 C ATOM 654 CD1 LEU A 44 -1.550 -3.674 -2.943 1.00 0.00 C ATOM 655 CD2 LEU A 44 0.904 -3.143 -3.306 1.00 0.00 C ATOM 0 H LEU A 44 -0.384 -6.652 -6.968 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.233 -5.462 -4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.090 -5.731 -3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.717 -4.930 -5.217 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.673 -2.875 -4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.663 -2.702 -2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.474 -3.933 -3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.333 -4.430 -2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.742 -2.182 -2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.230 -3.875 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.671 -3.036 -4.073 1.00 0.00 H new ATOM 667 N GLY A 45 -2.918 -4.107 -6.874 1.00 0.00 N ATOM 668 CA GLY A 45 -3.347 -3.164 -7.893 1.00 0.00 C ATOM 669 C GLY A 45 -3.611 -1.784 -7.286 1.00 0.00 C ATOM 670 O GLY A 45 -3.849 -1.666 -6.085 1.00 0.00 O ATOM 0 H GLY A 45 -3.675 -4.519 -6.328 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.582 -3.085 -8.666 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.252 -3.532 -8.376 1.00 0.00 H new ATOM 674 N PHE A 46 -3.560 -0.776 -8.144 1.00 0.00 N ATOM 675 CA PHE A 46 -3.790 0.591 -7.707 1.00 0.00 C ATOM 676 C PHE A 46 -5.000 1.197 -8.420 1.00 0.00 C ATOM 677 O PHE A 46 -5.246 0.907 -9.590 1.00 0.00 O ATOM 678 CB PHE A 46 -2.541 1.394 -8.074 1.00 0.00 C ATOM 679 CG PHE A 46 -1.244 0.827 -7.493 1.00 0.00 C ATOM 680 CD1 PHE A 46 -0.997 0.925 -6.159 1.00 0.00 C ATOM 681 CD2 PHE A 46 -0.339 0.226 -8.311 1.00 0.00 C ATOM 682 CE1 PHE A 46 0.207 0.399 -5.620 1.00 0.00 C ATOM 683 CE2 PHE A 46 0.865 -0.299 -7.772 1.00 0.00 C ATOM 684 CZ PHE A 46 1.113 -0.202 -6.438 1.00 0.00 C ATOM 0 H PHE A 46 -3.363 -0.878 -9.140 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.986 0.612 -6.635 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.454 1.434 -9.160 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.665 2.419 -7.726 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.716 1.403 -5.510 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.536 0.148 -9.370 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.403 0.476 -4.561 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.584 -0.776 -8.421 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.029 -0.602 -6.028 1.00 0.00 H new ATOM 694 N TYR A 47 -5.724 2.029 -7.686 1.00 0.00 N ATOM 695 CA TYR A 47 -6.903 2.679 -8.233 1.00 0.00 C ATOM 696 C TYR A 47 -7.134 4.040 -7.574 1.00 0.00 C ATOM 697 O TYR A 47 -6.677 4.279 -6.457 1.00 0.00 O ATOM 698 CB TYR A 47 -8.082 1.760 -7.907 1.00 0.00 C ATOM 699 CG TYR A 47 -7.950 0.350 -8.485 1.00 0.00 C ATOM 700 CD1 TYR A 47 -7.078 -0.552 -7.911 1.00 0.00 C ATOM 701 CD2 TYR A 47 -8.704 -0.020 -9.580 1.00 0.00 C ATOM 702 CE1 TYR A 47 -6.954 -1.880 -8.455 1.00 0.00 C ATOM 703 CE2 TYR A 47 -8.580 -1.348 -10.124 1.00 0.00 C ATOM 704 CZ TYR A 47 -7.711 -2.212 -9.535 1.00 0.00 C ATOM 705 OH TYR A 47 -7.594 -3.466 -10.049 1.00 0.00 O ATOM 0 H TYR A 47 -5.517 2.268 -6.716 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.787 2.845 -9.304 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.186 1.689 -6.824 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.998 2.213 -8.286 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.488 -0.262 -7.054 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.387 0.686 -10.029 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.275 -2.596 -8.015 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.164 -1.651 -10.980 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.195 -3.562 -10.817 1.00 0.00 H new ATOM 715 N LYS A 48 -7.844 4.897 -8.293 1.00 0.00 N ATOM 716 CA LYS A 48 -8.142 6.228 -7.791 1.00 0.00 C ATOM 717 C LYS A 48 -8.671 6.122 -6.360 1.00 0.00 C ATOM 718 O LYS A 48 -8.030 6.592 -5.421 1.00 0.00 O ATOM 719 CB LYS A 48 -9.089 6.960 -8.745 1.00 0.00 C ATOM 720 CG LYS A 48 -9.330 8.398 -8.281 1.00 0.00 C ATOM 721 CD LYS A 48 -8.500 9.386 -9.104 1.00 0.00 C ATOM 722 CE LYS A 48 -9.396 10.430 -9.773 1.00 0.00 C ATOM 723 NZ LYS A 48 -8.589 11.346 -10.610 1.00 0.00 N ATOM 0 H LYS A 48 -8.222 4.696 -9.219 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.236 6.833 -7.752 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.667 6.964 -9.750 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.039 6.428 -8.800 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.388 8.641 -8.374 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.072 8.492 -7.226 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.775 9.883 -8.459 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.934 8.847 -9.864 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.147 9.933 -10.387 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.931 10.999 -9.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.213 12.048 -11.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.889 11.833 -10.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.098 10.801 -11.347 1.00 0.00 H new ATOM 737 N ASP A 49 -9.837 5.503 -6.238 1.00 0.00 N ATOM 738 CA ASP A 49 -10.459 5.330 -4.937 1.00 0.00 C ATOM 739 C ASP A 49 -11.306 4.056 -4.947 1.00 0.00 C ATOM 740 O ASP A 49 -11.311 3.318 -5.931 1.00 0.00 O ATOM 741 CB ASP A 49 -11.380 6.507 -4.606 1.00 0.00 C ATOM 742 CG ASP A 49 -10.665 7.833 -4.340 1.00 0.00 C ATOM 743 OD1 ASP A 49 -9.804 8.190 -5.172 1.00 0.00 O ATOM 744 OD2 ASP A 49 -10.995 8.459 -3.309 1.00 0.00 O ATOM 0 H ASP A 49 -10.366 5.116 -7.019 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.667 5.270 -4.190 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.077 6.647 -5.432 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.973 6.249 -3.729 1.00 0.00 H new ATOM 749 N ALA A 50 -12.001 3.837 -3.840 1.00 0.00 N ATOM 750 CA ALA A 50 -12.849 2.664 -3.710 1.00 0.00 C ATOM 751 C ALA A 50 -13.955 2.719 -4.765 1.00 0.00 C ATOM 752 O ALA A 50 -14.628 1.721 -5.017 1.00 0.00 O ATOM 753 CB ALA A 50 -13.405 2.592 -2.286 1.00 0.00 C ATOM 0 H ALA A 50 -11.994 4.451 -3.026 1.00 0.00 H new ATOM 0 HA ALA A 50 -12.274 1.754 -3.883 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -14.041 1.712 -2.188 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -12.580 2.524 -1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.990 3.488 -2.078 1.00 0.00 H new ATOM 759 N LYS A 51 -14.108 3.896 -5.355 1.00 0.00 N ATOM 760 CA LYS A 51 -15.121 4.095 -6.377 1.00 0.00 C ATOM 761 C LYS A 51 -14.634 3.490 -7.696 1.00 0.00 C ATOM 762 O LYS A 51 -15.395 2.824 -8.396 1.00 0.00 O ATOM 763 CB LYS A 51 -15.495 5.575 -6.481 1.00 0.00 C ATOM 764 CG LYS A 51 -15.751 5.975 -7.936 1.00 0.00 C ATOM 765 CD LYS A 51 -16.743 7.137 -8.018 1.00 0.00 C ATOM 766 CE LYS A 51 -16.856 7.662 -9.451 1.00 0.00 C ATOM 767 NZ LYS A 51 -16.948 9.139 -9.456 1.00 0.00 N ATOM 0 H LYS A 51 -13.547 4.721 -5.144 1.00 0.00 H new ATOM 0 HA LYS A 51 -16.041 3.576 -6.107 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -16.386 5.772 -5.884 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.693 6.186 -6.068 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.811 6.260 -8.409 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -16.140 5.120 -8.489 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -17.722 6.809 -7.669 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.422 7.942 -7.357 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.989 7.344 -10.031 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.736 7.235 -9.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -17.024 9.479 -10.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -17.788 9.436 -8.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -16.096 9.541 -9.015 1.00 0.00 H new ATOM 781 N ALA A 52 -13.368 3.743 -7.994 1.00 0.00 N ATOM 782 CA ALA A 52 -12.770 3.232 -9.216 1.00 0.00 C ATOM 783 C ALA A 52 -12.570 1.720 -9.086 1.00 0.00 C ATOM 784 O ALA A 52 -12.739 0.983 -10.056 1.00 0.00 O ATOM 785 CB ALA A 52 -11.460 3.972 -9.492 1.00 0.00 C ATOM 0 H ALA A 52 -12.740 4.295 -7.410 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.428 3.406 -10.068 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.012 3.589 -10.409 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.661 5.037 -9.604 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.773 3.818 -8.660 1.00 0.00 H new ATOM 791 N ALA A 53 -12.211 1.304 -7.880 1.00 0.00 N ATOM 792 CA ALA A 53 -11.986 -0.106 -7.612 1.00 0.00 C ATOM 793 C ALA A 53 -13.223 -0.904 -8.028 1.00 0.00 C ATOM 794 O ALA A 53 -13.116 -1.881 -8.767 1.00 0.00 O ATOM 795 CB ALA A 53 -11.640 -0.295 -6.133 1.00 0.00 C ATOM 0 H ALA A 53 -12.071 1.919 -7.078 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.143 -0.478 -8.195 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.471 -1.353 -5.931 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.738 0.268 -5.896 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.465 0.065 -5.518 1.00 0.00 H new ATOM 801 N SER A 54 -14.369 -0.458 -7.535 1.00 0.00 N ATOM 802 CA SER A 54 -15.626 -1.118 -7.847 1.00 0.00 C ATOM 803 C SER A 54 -15.950 -0.951 -9.332 1.00 0.00 C ATOM 804 O SER A 54 -16.624 -1.794 -9.923 1.00 0.00 O ATOM 805 CB SER A 54 -16.766 -0.566 -6.989 1.00 0.00 C ATOM 806 OG SER A 54 -17.630 -1.598 -6.521 1.00 0.00 O ATOM 0 H SER A 54 -14.454 0.353 -6.922 1.00 0.00 H new ATOM 0 HA SER A 54 -15.520 -2.179 -7.622 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.351 -0.027 -6.137 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.342 0.153 -7.571 1.00 0.00 H new ATOM 0 HG SER A 54 -18.343 -1.205 -5.976 1.00 0.00 H new ATOM 812 N ALA A 55 -15.457 0.142 -9.894 1.00 0.00 N ATOM 813 CA ALA A 55 -15.686 0.431 -11.299 1.00 0.00 C ATOM 814 C ALA A 55 -14.553 -0.174 -12.131 1.00 0.00 C ATOM 815 O ALA A 55 -14.417 0.130 -13.315 1.00 0.00 O ATOM 816 CB ALA A 55 -15.811 1.943 -11.497 1.00 0.00 C ATOM 0 H ALA A 55 -14.899 0.839 -9.401 1.00 0.00 H new ATOM 0 HA ALA A 55 -16.620 -0.020 -11.635 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.983 2.159 -12.552 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.648 2.319 -10.909 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.891 2.430 -11.172 1.00 0.00 H new ATOM 822 N GLY A 56 -13.769 -1.019 -11.478 1.00 0.00 N ATOM 823 CA GLY A 56 -12.652 -1.669 -12.143 1.00 0.00 C ATOM 824 C GLY A 56 -11.898 -0.684 -13.038 1.00 0.00 C ATOM 825 O GLY A 56 -11.384 -1.063 -14.090 1.00 0.00 O ATOM 0 H GLY A 56 -13.885 -1.269 -10.496 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.972 -2.083 -11.399 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.016 -2.504 -12.741 1.00 0.00 H new ATOM 829 N VAL A 57 -11.855 0.561 -12.588 1.00 0.00 N ATOM 830 CA VAL A 57 -11.172 1.604 -13.336 1.00 0.00 C ATOM 831 C VAL A 57 -9.805 1.867 -12.702 1.00 0.00 C ATOM 832 O VAL A 57 -9.720 2.223 -11.527 1.00 0.00 O ATOM 833 CB VAL A 57 -12.049 2.856 -13.408 1.00 0.00 C ATOM 834 CG1 VAL A 57 -11.313 4.000 -14.108 1.00 0.00 C ATOM 835 CG2 VAL A 57 -13.379 2.554 -14.101 1.00 0.00 C ATOM 0 H VAL A 57 -12.282 0.872 -11.715 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.998 1.286 -14.364 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.267 3.172 -12.388 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -11.958 4.878 -14.146 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.405 4.241 -13.555 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.051 3.698 -15.122 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -13.983 3.460 -14.139 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -13.189 2.202 -15.115 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.913 1.785 -13.544 1.00 0.00 H new ATOM 845 N PRO A 58 -8.742 1.678 -13.528 1.00 0.00 N ATOM 846 CA PRO A 58 -7.383 1.891 -13.061 1.00 0.00 C ATOM 847 C PRO A 58 -7.071 3.385 -12.945 1.00 0.00 C ATOM 848 O PRO A 58 -7.410 4.164 -13.834 1.00 0.00 O ATOM 849 CB PRO A 58 -6.502 1.177 -14.073 1.00 0.00 C ATOM 850 CG PRO A 58 -7.361 0.988 -15.313 1.00 0.00 C ATOM 851 CD PRO A 58 -8.805 1.257 -14.925 1.00 0.00 C ATOM 0 HA PRO A 58 -7.216 1.496 -12.059 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -5.612 1.765 -14.300 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.160 0.218 -13.685 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.045 1.669 -16.104 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.252 -0.024 -15.702 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.246 2.032 -15.552 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.419 0.364 -15.042 1.00 0.00 H new ATOM 859 N TYR A 59 -6.428 3.739 -11.842 1.00 0.00 N ATOM 860 CA TYR A 59 -6.067 5.125 -11.599 1.00 0.00 C ATOM 861 C TYR A 59 -5.354 5.726 -12.811 1.00 0.00 C ATOM 862 O TYR A 59 -5.888 6.616 -13.472 1.00 0.00 O ATOM 863 CB TYR A 59 -5.101 5.106 -10.412 1.00 0.00 C ATOM 864 CG TYR A 59 -4.636 6.494 -9.967 1.00 0.00 C ATOM 865 CD1 TYR A 59 -5.558 7.506 -9.785 1.00 0.00 C ATOM 866 CD2 TYR A 59 -3.295 6.735 -9.747 1.00 0.00 C ATOM 867 CE1 TYR A 59 -5.120 8.812 -9.366 1.00 0.00 C ATOM 868 CE2 TYR A 59 -2.857 8.042 -9.328 1.00 0.00 C ATOM 869 CZ TYR A 59 -3.791 9.015 -9.158 1.00 0.00 C ATOM 870 OH TYR A 59 -3.378 10.249 -8.762 1.00 0.00 O ATOM 0 H TYR A 59 -6.148 3.090 -11.107 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.956 5.726 -11.406 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.584 4.609 -9.571 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.228 4.509 -10.676 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.607 7.318 -9.957 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.574 5.944 -9.889 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.830 9.612 -9.220 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.811 8.244 -9.153 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.404 10.248 -8.651 1.00 0.00 H new ATOM 880 N HIS A 60 -4.158 5.217 -13.068 1.00 0.00 N ATOM 881 CA HIS A 60 -3.366 5.693 -14.189 1.00 0.00 C ATOM 882 C HIS A 60 -3.149 4.552 -15.185 1.00 0.00 C ATOM 883 O HIS A 60 -2.043 4.365 -15.689 1.00 0.00 O ATOM 884 CB HIS A 60 -2.055 6.314 -13.704 1.00 0.00 C ATOM 885 CG HIS A 60 -2.216 7.681 -13.084 1.00 0.00 C ATOM 886 ND1 HIS A 60 -3.292 8.268 -12.486 1.00 0.00 N flip ATOM 887 CD2 HIS A 60 -1.189 8.609 -13.038 1.00 0.00 C flip ATOM 888 CE1 HIS A 60 -2.942 9.487 -12.095 1.00 0.00 C flip ATOM 889 NE2 HIS A 60 -1.639 9.701 -12.437 1.00 0.00 N flip ATOM 0 H HIS A 60 -3.718 4.479 -12.518 1.00 0.00 H new ATOM 0 HA HIS A 60 -3.905 6.485 -14.709 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.597 5.647 -12.974 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.366 6.387 -14.546 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.191 8.467 -13.426 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -3.583 10.193 -11.589 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -1.105 10.552 -12.261 1.00 0.00 H new ATOM 897 N GLY A 61 -4.223 3.819 -15.439 1.00 0.00 N ATOM 898 CA GLY A 61 -4.164 2.701 -16.366 1.00 0.00 C ATOM 899 C GLY A 61 -3.008 1.761 -16.018 1.00 0.00 C ATOM 900 O GLY A 61 -2.558 0.986 -16.861 1.00 0.00 O ATOM 0 H GLY A 61 -5.139 3.977 -15.019 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.105 2.152 -16.339 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.041 3.073 -17.383 1.00 0.00 H new ATOM 904 N GLU A 62 -2.562 1.859 -14.774 1.00 0.00 N ATOM 905 CA GLU A 62 -1.468 1.026 -14.304 1.00 0.00 C ATOM 906 C GLU A 62 -1.966 -0.390 -14.011 1.00 0.00 C ATOM 907 O GLU A 62 -3.164 -0.606 -13.833 1.00 0.00 O ATOM 908 CB GLU A 62 -0.803 1.640 -13.070 1.00 0.00 C ATOM 909 CG GLU A 62 0.358 2.553 -13.469 1.00 0.00 C ATOM 910 CD GLU A 62 1.509 2.446 -12.467 1.00 0.00 C ATOM 911 OE1 GLU A 62 1.455 3.183 -11.459 1.00 0.00 O ATOM 912 OE2 GLU A 62 2.418 1.629 -12.732 1.00 0.00 O ATOM 0 H GLU A 62 -2.938 2.502 -14.078 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.716 0.969 -15.091 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.539 2.209 -12.501 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.439 0.847 -12.417 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.711 2.284 -14.464 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.012 3.585 -13.522 1.00 0.00 H new ATOM 919 N VAL A 63 -1.022 -1.319 -13.970 1.00 0.00 N ATOM 920 CA VAL A 63 -1.350 -2.708 -13.701 1.00 0.00 C ATOM 921 C VAL A 63 -0.923 -3.063 -12.276 1.00 0.00 C ATOM 922 O VAL A 63 -0.206 -2.299 -11.631 1.00 0.00 O ATOM 923 CB VAL A 63 -0.711 -3.611 -14.759 1.00 0.00 C ATOM 924 CG1 VAL A 63 -1.727 -4.002 -15.833 1.00 0.00 C ATOM 925 CG2 VAL A 63 0.515 -2.941 -15.382 1.00 0.00 C ATOM 0 H VAL A 63 -0.030 -1.136 -14.119 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.427 -2.865 -13.766 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.380 -4.524 -14.264 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.247 -4.643 -16.572 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.556 -4.538 -15.371 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.103 -3.104 -16.322 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.951 -3.603 -16.130 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.217 -2.005 -15.855 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.252 -2.737 -14.605 1.00 0.00 H new ATOM 935 N PRO A 64 -1.393 -4.252 -11.813 1.00 0.00 N ATOM 936 CA PRO A 64 -1.067 -4.717 -10.476 1.00 0.00 C ATOM 937 C PRO A 64 0.375 -5.221 -10.407 1.00 0.00 C ATOM 938 O PRO A 64 0.831 -5.933 -11.300 1.00 0.00 O ATOM 939 CB PRO A 64 -2.090 -5.801 -10.176 1.00 0.00 C ATOM 940 CG PRO A 64 -2.655 -6.225 -11.522 1.00 0.00 C ATOM 941 CD PRO A 64 -2.244 -5.183 -12.549 1.00 0.00 C ATOM 0 HA PRO A 64 -1.117 -3.923 -9.731 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.627 -6.644 -9.664 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.877 -5.425 -9.523 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.276 -7.208 -11.803 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.741 -6.304 -11.472 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.706 -5.638 -13.381 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.113 -4.677 -12.969 1.00 0.00 H new ATOM 949 N VAL A 65 1.054 -4.832 -9.337 1.00 0.00 N ATOM 950 CA VAL A 65 2.436 -5.236 -9.140 1.00 0.00 C ATOM 951 C VAL A 65 2.470 -6.610 -8.467 1.00 0.00 C ATOM 952 O VAL A 65 1.884 -6.798 -7.402 1.00 0.00 O ATOM 953 CB VAL A 65 3.186 -4.164 -8.348 1.00 0.00 C ATOM 954 CG1 VAL A 65 3.360 -2.890 -9.178 1.00 0.00 C ATOM 955 CG2 VAL A 65 2.479 -3.864 -7.025 1.00 0.00 C ATOM 0 H VAL A 65 0.673 -4.242 -8.598 1.00 0.00 H new ATOM 0 HA VAL A 65 2.947 -5.331 -10.098 1.00 0.00 H new ATOM 0 HB VAL A 65 4.178 -4.551 -8.117 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.896 -2.144 -8.591 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.927 -3.118 -10.080 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.381 -2.499 -9.454 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.033 -3.099 -6.482 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.469 -3.507 -7.225 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.431 -4.772 -6.424 1.00 0.00 H new ATOM 965 N SER A 66 3.162 -7.534 -9.117 1.00 0.00 N ATOM 966 CA SER A 66 3.281 -8.885 -8.595 1.00 0.00 C ATOM 967 C SER A 66 4.152 -8.886 -7.337 1.00 0.00 C ATOM 968 O SER A 66 5.266 -8.365 -7.350 1.00 0.00 O ATOM 969 CB SER A 66 3.864 -9.832 -9.645 1.00 0.00 C ATOM 970 OG SER A 66 2.885 -10.735 -10.152 1.00 0.00 O ATOM 0 H SER A 66 3.646 -7.374 -10.000 1.00 0.00 H new ATOM 0 HA SER A 66 2.283 -9.241 -8.338 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.280 -9.250 -10.467 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.686 -10.397 -9.207 1.00 0.00 H new ATOM 0 HG SER A 66 3.296 -11.321 -10.821 1.00 0.00 H new ATOM 976 N LEU A 67 3.611 -9.476 -6.282 1.00 0.00 N ATOM 977 CA LEU A 67 4.325 -9.551 -5.019 1.00 0.00 C ATOM 978 C LEU A 67 5.145 -10.842 -4.977 1.00 0.00 C ATOM 979 O LEU A 67 5.212 -11.507 -3.944 1.00 0.00 O ATOM 980 CB LEU A 67 3.355 -9.401 -3.845 1.00 0.00 C ATOM 981 CG LEU A 67 2.394 -8.213 -3.917 1.00 0.00 C ATOM 982 CD1 LEU A 67 1.135 -8.475 -3.087 1.00 0.00 C ATOM 983 CD2 LEU A 67 3.093 -6.916 -3.504 1.00 0.00 C ATOM 0 H LEU A 67 2.686 -9.907 -6.276 1.00 0.00 H new ATOM 0 HA LEU A 67 5.028 -8.723 -4.930 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.766 -10.315 -3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.937 -9.317 -2.927 1.00 0.00 H new ATOM 0 HG LEU A 67 2.078 -8.092 -4.953 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.469 -7.615 -3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.626 -9.360 -3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.413 -8.637 -2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.387 -6.087 -3.564 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.457 -7.009 -2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.933 -6.727 -4.172 1.00 0.00 H new ATOM 995 N ALA A 68 5.749 -11.159 -6.114 1.00 0.00 N ATOM 996 CA ALA A 68 6.562 -12.358 -6.221 1.00 0.00 C ATOM 997 C ALA A 68 7.967 -12.066 -5.691 1.00 0.00 C ATOM 998 O ALA A 68 8.722 -11.314 -6.305 1.00 0.00 O ATOM 999 CB ALA A 68 6.575 -12.839 -7.673 1.00 0.00 C ATOM 0 H ALA A 68 5.691 -10.606 -6.969 1.00 0.00 H new ATOM 0 HA ALA A 68 6.142 -13.161 -5.616 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.185 -13.739 -7.753 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.557 -13.062 -7.992 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.992 -12.060 -8.311 1.00 0.00 H new ATOM 1005 N ARG A 69 8.275 -12.675 -4.555 1.00 0.00 N ATOM 1006 CA ARG A 69 9.577 -12.490 -3.936 1.00 0.00 C ATOM 1007 C ARG A 69 9.710 -11.063 -3.398 1.00 0.00 C ATOM 1008 O ARG A 69 10.817 -10.595 -3.138 1.00 0.00 O ATOM 1009 CB ARG A 69 10.705 -12.759 -4.933 1.00 0.00 C ATOM 1010 CG ARG A 69 10.455 -14.054 -5.708 1.00 0.00 C ATOM 1011 CD ARG A 69 11.769 -14.782 -5.998 1.00 0.00 C ATOM 1012 NE ARG A 69 12.469 -14.131 -7.128 1.00 0.00 N ATOM 1013 CZ ARG A 69 13.657 -14.528 -7.605 1.00 0.00 C ATOM 1014 NH1 ARG A 69 14.285 -15.574 -7.052 1.00 0.00 N ATOM 1015 NH2 ARG A 69 14.217 -13.877 -8.634 1.00 0.00 N ATOM 0 H ARG A 69 7.646 -13.297 -4.047 1.00 0.00 H new ATOM 0 HA ARG A 69 9.658 -13.202 -3.114 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.786 -11.924 -5.629 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.655 -12.826 -4.403 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.794 -14.704 -5.134 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.946 -13.829 -6.645 1.00 0.00 H new ATOM 0 HD2 ARG A 69 12.403 -14.772 -5.112 1.00 0.00 H new ATOM 0 HD3 ARG A 69 11.571 -15.827 -6.236 1.00 0.00 H new ATOM 0 HE ARG A 69 12.019 -13.330 -7.571 1.00 0.00 H new ATOM 0 HH11 ARG A 69 13.859 -16.068 -6.268 1.00 0.00 H new ATOM 0 HH12 ARG A 69 15.189 -15.876 -7.415 1.00 0.00 H new ATOM 0 HH21 ARG A 69 13.739 -13.080 -9.054 1.00 0.00 H new ATOM 0 HH22 ARG A 69 15.121 -14.179 -8.997 1.00 0.00 H new ATOM 1029 N ALA A 70 8.566 -10.412 -3.248 1.00 0.00 N ATOM 1030 CA ALA A 70 8.541 -9.049 -2.746 1.00 0.00 C ATOM 1031 C ALA A 70 8.741 -9.064 -1.230 1.00 0.00 C ATOM 1032 O ALA A 70 8.820 -10.131 -0.621 1.00 0.00 O ATOM 1033 CB ALA A 70 7.227 -8.379 -3.154 1.00 0.00 C ATOM 0 H ALA A 70 7.649 -10.803 -3.465 1.00 0.00 H new ATOM 0 HA ALA A 70 9.353 -8.466 -3.179 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.208 -7.356 -2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.147 -8.367 -4.241 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.389 -8.936 -2.734 1.00 0.00 H new ATOM 1039 N GLN A 71 8.817 -7.869 -0.663 1.00 0.00 N ATOM 1040 CA GLN A 71 9.007 -7.732 0.771 1.00 0.00 C ATOM 1041 C GLN A 71 8.285 -6.485 1.285 1.00 0.00 C ATOM 1042 O GLN A 71 8.378 -5.417 0.682 1.00 0.00 O ATOM 1043 CB GLN A 71 10.495 -7.690 1.126 1.00 0.00 C ATOM 1044 CG GLN A 71 10.959 -9.028 1.704 1.00 0.00 C ATOM 1045 CD GLN A 71 12.484 -9.079 1.813 1.00 0.00 C ATOM 1046 OE1 GLN A 71 13.068 -8.796 2.846 1.00 0.00 O ATOM 1047 NE2 GLN A 71 13.094 -9.455 0.693 1.00 0.00 N ATOM 0 H GLN A 71 8.750 -6.987 -1.171 1.00 0.00 H new ATOM 0 HA GLN A 71 8.576 -8.605 1.260 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.078 -7.452 0.236 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.678 -6.895 1.849 1.00 0.00 H new ATOM 0 HG2 GLN A 71 10.515 -9.176 2.689 1.00 0.00 H new ATOM 0 HG3 GLN A 71 10.609 -9.843 1.071 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.544 -9.678 -0.137 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.111 -9.521 0.664 1.00 0.00 H new ATOM 1056 N GLY A 72 7.581 -6.662 2.394 1.00 0.00 N ATOM 1057 CA GLY A 72 6.844 -5.564 2.996 1.00 0.00 C ATOM 1058 C GLY A 72 7.296 -5.326 4.438 1.00 0.00 C ATOM 1059 O GLY A 72 7.270 -6.241 5.259 1.00 0.00 O ATOM 0 H GLY A 72 7.506 -7.549 2.891 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.993 -4.657 2.410 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.777 -5.784 2.977 1.00 0.00 H new ATOM 1063 N SER A 73 7.698 -4.092 4.702 1.00 0.00 N ATOM 1064 CA SER A 73 8.154 -3.722 6.031 1.00 0.00 C ATOM 1065 C SER A 73 7.567 -2.366 6.428 1.00 0.00 C ATOM 1066 O SER A 73 7.121 -1.604 5.571 1.00 0.00 O ATOM 1067 CB SER A 73 9.682 -3.678 6.097 1.00 0.00 C ATOM 1068 OG SER A 73 10.165 -3.848 7.427 1.00 0.00 O ATOM 0 H SER A 73 7.718 -3.335 4.018 1.00 0.00 H new ATOM 0 HA SER A 73 7.808 -4.480 6.734 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.095 -4.459 5.459 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.034 -2.725 5.703 1.00 0.00 H new ATOM 0 HG SER A 73 11.144 -3.815 7.426 1.00 0.00 H new ATOM 1074 N VAL A 74 7.585 -2.106 7.727 1.00 0.00 N ATOM 1075 CA VAL A 74 7.060 -0.855 8.247 1.00 0.00 C ATOM 1076 C VAL A 74 8.131 0.231 8.130 1.00 0.00 C ATOM 1077 O VAL A 74 9.325 -0.061 8.185 1.00 0.00 O ATOM 1078 CB VAL A 74 6.562 -1.052 9.680 1.00 0.00 C ATOM 1079 CG1 VAL A 74 6.327 0.294 10.369 1.00 0.00 C ATOM 1080 CG2 VAL A 74 5.297 -1.911 9.708 1.00 0.00 C ATOM 0 H VAL A 74 7.955 -2.740 8.435 1.00 0.00 H new ATOM 0 HA VAL A 74 6.201 -0.528 7.661 1.00 0.00 H new ATOM 0 HB VAL A 74 7.338 -1.581 10.234 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.973 0.125 11.386 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.261 0.856 10.398 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.579 0.861 9.814 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.964 -2.035 10.739 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.513 -1.422 9.130 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.511 -2.888 9.275 1.00 0.00 H new ATOM 1090 N ALA A 75 7.666 1.462 7.971 1.00 0.00 N ATOM 1091 CA ALA A 75 8.570 2.593 7.845 1.00 0.00 C ATOM 1092 C ALA A 75 8.724 3.270 9.209 1.00 0.00 C ATOM 1093 O ALA A 75 8.189 4.356 9.430 1.00 0.00 O ATOM 1094 CB ALA A 75 8.043 3.551 6.775 1.00 0.00 C ATOM 0 H ALA A 75 6.675 1.701 7.927 1.00 0.00 H new ATOM 0 HA ALA A 75 9.559 2.262 7.527 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.721 4.399 6.680 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.979 3.030 5.820 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.054 3.907 7.061 1.00 0.00 H new ATOM 1223 N LYS A 82 2.485 8.532 10.616 1.00 0.00 N ATOM 1224 CA LYS A 82 2.306 7.240 11.255 1.00 0.00 C ATOM 1225 C LYS A 82 1.667 6.268 10.261 1.00 0.00 C ATOM 1226 O LYS A 82 1.233 6.672 9.184 1.00 0.00 O ATOM 1227 CB LYS A 82 1.519 7.392 12.559 1.00 0.00 C ATOM 1228 CG LYS A 82 2.408 7.943 13.675 1.00 0.00 C ATOM 1229 CD LYS A 82 1.602 8.819 14.636 1.00 0.00 C ATOM 1230 CE LYS A 82 1.567 8.206 16.038 1.00 0.00 C ATOM 1231 NZ LYS A 82 1.687 9.261 17.068 1.00 0.00 N ATOM 0 HA LYS A 82 3.270 6.818 11.538 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.672 8.060 12.401 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.112 6.426 12.857 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.862 7.118 14.224 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.222 8.525 13.243 1.00 0.00 H new ATOM 0 HD2 LYS A 82 2.042 9.815 14.682 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.585 8.936 14.261 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.636 7.657 16.178 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.380 7.488 16.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.661 8.828 18.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.587 9.767 16.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.897 9.931 16.973 1.00 0.00 H new ATOM 1245 N HIS A 83 1.631 5.004 10.658 1.00 0.00 N ATOM 1246 CA HIS A 83 1.052 3.971 9.816 1.00 0.00 C ATOM 1247 C HIS A 83 1.635 4.074 8.405 1.00 0.00 C ATOM 1248 O HIS A 83 0.903 4.292 7.441 1.00 0.00 O ATOM 1249 CB HIS A 83 -0.476 4.048 9.833 1.00 0.00 C ATOM 1250 CG HIS A 83 -1.027 5.394 9.428 1.00 0.00 C ATOM 1251 ND1 HIS A 83 -1.408 5.689 8.130 1.00 0.00 N ATOM 1252 CD2 HIS A 83 -1.259 6.520 10.162 1.00 0.00 C ATOM 1253 CE1 HIS A 83 -1.846 6.938 8.096 1.00 0.00 C ATOM 1254 NE2 HIS A 83 -1.753 7.452 9.356 1.00 0.00 N ATOM 0 H HIS A 83 1.994 4.672 11.552 1.00 0.00 H new ATOM 0 HA HIS A 83 1.312 2.988 10.209 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -0.875 3.287 9.163 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -0.831 3.808 10.835 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.072 6.634 11.220 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.213 7.459 7.224 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -2.019 8.397 9.633 1.00 0.00 H new ATOM 1262 N VAL A 84 2.948 3.912 8.329 1.00 0.00 N ATOM 1263 CA VAL A 84 3.638 3.984 7.052 1.00 0.00 C ATOM 1264 C VAL A 84 4.573 2.781 6.914 1.00 0.00 C ATOM 1265 O VAL A 84 5.449 2.572 7.751 1.00 0.00 O ATOM 1266 CB VAL A 84 4.365 5.324 6.924 1.00 0.00 C ATOM 1267 CG1 VAL A 84 5.106 5.421 5.589 1.00 0.00 C ATOM 1268 CG2 VAL A 84 3.395 6.493 7.100 1.00 0.00 C ATOM 0 H VAL A 84 3.552 3.731 9.131 1.00 0.00 H new ATOM 0 HA VAL A 84 2.924 3.937 6.229 1.00 0.00 H new ATOM 0 HB VAL A 84 5.105 5.381 7.722 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.614 6.383 5.524 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.840 4.618 5.521 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.393 5.331 4.770 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.938 7.434 7.004 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.620 6.441 6.335 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.935 6.438 8.086 1.00 0.00 H new ATOM 1278 N PHE A 85 4.355 2.021 5.851 1.00 0.00 N ATOM 1279 CA PHE A 85 5.167 0.844 5.592 1.00 0.00 C ATOM 1280 C PHE A 85 5.699 0.849 4.158 1.00 0.00 C ATOM 1281 O PHE A 85 4.967 1.164 3.221 1.00 0.00 O ATOM 1282 CB PHE A 85 4.262 -0.375 5.784 1.00 0.00 C ATOM 1283 CG PHE A 85 3.040 -0.394 4.863 1.00 0.00 C ATOM 1284 CD1 PHE A 85 2.034 0.502 5.050 1.00 0.00 C ATOM 1285 CD2 PHE A 85 2.961 -1.306 3.857 1.00 0.00 C ATOM 1286 CE1 PHE A 85 0.900 0.485 4.195 1.00 0.00 C ATOM 1287 CE2 PHE A 85 1.827 -1.323 3.002 1.00 0.00 C ATOM 1288 CZ PHE A 85 0.821 -0.427 3.189 1.00 0.00 C ATOM 0 H PHE A 85 3.627 2.197 5.158 1.00 0.00 H new ATOM 0 HA PHE A 85 6.022 0.826 6.268 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.847 -1.279 5.614 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.924 -0.404 6.820 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.097 1.226 5.849 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.760 -2.017 3.708 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.101 1.196 4.344 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.764 -2.047 2.203 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.041 -0.440 2.538 1.00 0.00 H new ATOM 1298 N LYS A 86 6.970 0.497 4.031 1.00 0.00 N ATOM 1299 CA LYS A 86 7.609 0.457 2.727 1.00 0.00 C ATOM 1300 C LYS A 86 7.496 -0.956 2.151 1.00 0.00 C ATOM 1301 O LYS A 86 7.843 -1.931 2.817 1.00 0.00 O ATOM 1302 CB LYS A 86 9.047 0.970 2.819 1.00 0.00 C ATOM 1303 CG LYS A 86 9.749 0.881 1.462 1.00 0.00 C ATOM 1304 CD LYS A 86 11.177 1.424 1.547 1.00 0.00 C ATOM 1305 CE LYS A 86 11.271 2.819 0.926 1.00 0.00 C ATOM 1306 NZ LYS A 86 12.685 3.186 0.689 1.00 0.00 N ATOM 0 H LYS A 86 7.575 0.237 4.810 1.00 0.00 H new ATOM 0 HA LYS A 86 7.100 1.126 2.033 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.047 2.004 3.165 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.598 0.387 3.557 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.770 -0.156 1.127 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.185 1.445 0.719 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.493 1.464 2.589 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.859 0.746 1.033 1.00 0.00 H new ATOM 0 HE2 LYS A 86 10.720 2.843 -0.014 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.805 3.550 1.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.736 4.167 0.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.219 3.101 1.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.094 2.549 -0.024 1.00 0.00 H new ATOM 1320 N LEU A 87 7.010 -1.023 0.921 1.00 0.00 N ATOM 1321 CA LEU A 87 6.847 -2.301 0.248 1.00 0.00 C ATOM 1322 C LEU A 87 7.873 -2.412 -0.882 1.00 0.00 C ATOM 1323 O LEU A 87 7.680 -1.847 -1.957 1.00 0.00 O ATOM 1324 CB LEU A 87 5.400 -2.482 -0.214 1.00 0.00 C ATOM 1325 CG LEU A 87 5.128 -3.696 -1.105 1.00 0.00 C ATOM 1326 CD1 LEU A 87 5.260 -4.998 -0.313 1.00 0.00 C ATOM 1327 CD2 LEU A 87 3.766 -3.578 -1.791 1.00 0.00 C ATOM 0 H LEU A 87 6.723 -0.213 0.372 1.00 0.00 H new ATOM 0 HA LEU A 87 7.042 -3.123 0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.764 -2.554 0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.097 -1.585 -0.754 1.00 0.00 H new ATOM 0 HG LEU A 87 5.883 -3.719 -1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.062 -5.845 -0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.270 -5.079 0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.542 -4.999 0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.597 -4.453 -2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.982 -3.516 -1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.746 -2.680 -2.409 1.00 0.00 H new ATOM 1339 N GLY A 88 8.940 -3.143 -0.599 1.00 0.00 N ATOM 1340 CA GLY A 88 9.996 -3.336 -1.579 1.00 0.00 C ATOM 1341 C GLY A 88 9.765 -4.611 -2.392 1.00 0.00 C ATOM 1342 O GLY A 88 9.796 -5.713 -1.847 1.00 0.00 O ATOM 0 H GLY A 88 9.097 -3.609 0.295 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.037 -2.477 -2.248 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.960 -3.393 -1.073 1.00 0.00 H new ATOM 1346 N LEU A 89 9.537 -4.418 -3.683 1.00 0.00 N ATOM 1347 CA LEU A 89 9.300 -5.539 -4.576 1.00 0.00 C ATOM 1348 C LEU A 89 10.618 -6.277 -4.823 1.00 0.00 C ATOM 1349 O LEU A 89 11.647 -5.924 -4.250 1.00 0.00 O ATOM 1350 CB LEU A 89 8.611 -5.067 -5.858 1.00 0.00 C ATOM 1351 CG LEU A 89 7.291 -4.315 -5.672 1.00 0.00 C ATOM 1352 CD1 LEU A 89 6.429 -4.401 -6.933 1.00 0.00 C ATOM 1353 CD2 LEU A 89 6.545 -4.816 -4.433 1.00 0.00 C ATOM 0 H LEU A 89 9.511 -3.502 -4.132 1.00 0.00 H new ATOM 0 HA LEU A 89 8.615 -6.252 -4.117 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.301 -4.421 -6.401 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.425 -5.937 -6.488 1.00 0.00 H new ATOM 0 HG LEU A 89 7.518 -3.262 -5.508 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.497 -3.859 -6.774 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.967 -3.960 -7.772 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.208 -5.446 -7.152 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.611 -4.266 -4.324 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.329 -5.879 -4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.163 -4.661 -3.549 1.00 0.00 H new ATOM 1365 N GLN A 90 10.542 -7.288 -5.676 1.00 0.00 N ATOM 1366 CA GLN A 90 11.716 -8.078 -6.005 1.00 0.00 C ATOM 1367 C GLN A 90 12.448 -7.468 -7.202 1.00 0.00 C ATOM 1368 O GLN A 90 13.529 -7.925 -7.572 1.00 0.00 O ATOM 1369 CB GLN A 90 11.337 -9.535 -6.278 1.00 0.00 C ATOM 1370 CG GLN A 90 10.490 -9.653 -7.547 1.00 0.00 C ATOM 1371 CD GLN A 90 10.640 -11.037 -8.180 1.00 0.00 C ATOM 1372 OE1 GLN A 90 11.713 -11.616 -8.221 1.00 0.00 O ATOM 1373 NE2 GLN A 90 9.508 -11.534 -8.670 1.00 0.00 N ATOM 0 H GLN A 90 9.686 -7.578 -6.149 1.00 0.00 H new ATOM 0 HA GLN A 90 12.390 -8.067 -5.148 1.00 0.00 H new ATOM 0 HB2 GLN A 90 12.240 -10.136 -6.382 1.00 0.00 H new ATOM 0 HB3 GLN A 90 10.784 -9.936 -5.429 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.442 -9.470 -7.307 1.00 0.00 H new ATOM 0 HG3 GLN A 90 10.791 -8.888 -8.262 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.644 -10.996 -8.603 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.504 -12.453 -9.113 1.00 0.00 H new ATOM 1382 N ASP A 91 11.831 -6.445 -7.774 1.00 0.00 N ATOM 1383 CA ASP A 91 12.410 -5.768 -8.922 1.00 0.00 C ATOM 1384 C ASP A 91 12.959 -4.409 -8.483 1.00 0.00 C ATOM 1385 O ASP A 91 13.021 -3.474 -9.279 1.00 0.00 O ATOM 1386 CB ASP A 91 11.359 -5.525 -10.007 1.00 0.00 C ATOM 1387 CG ASP A 91 11.870 -5.656 -11.443 1.00 0.00 C ATOM 1388 OD1 ASP A 91 12.642 -6.608 -11.686 1.00 0.00 O ATOM 1389 OD2 ASP A 91 11.476 -4.801 -12.265 1.00 0.00 O ATOM 0 H ASP A 91 10.935 -6.068 -7.464 1.00 0.00 H new ATOM 0 HA ASP A 91 13.202 -6.401 -9.323 1.00 0.00 H new ATOM 0 HB2 ASP A 91 10.540 -6.230 -9.863 1.00 0.00 H new ATOM 0 HB3 ASP A 91 10.946 -4.525 -9.874 1.00 0.00 H new ATOM 1394 N GLY A 92 13.344 -4.343 -7.217 1.00 0.00 N ATOM 1395 CA GLY A 92 13.885 -3.114 -6.662 1.00 0.00 C ATOM 1396 C GLY A 92 12.847 -1.991 -6.700 1.00 0.00 C ATOM 1397 O GLY A 92 13.189 -0.832 -6.927 1.00 0.00 O ATOM 0 H GLY A 92 13.292 -5.121 -6.560 1.00 0.00 H new ATOM 0 HA2 GLY A 92 14.204 -3.285 -5.634 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.770 -2.815 -7.224 1.00 0.00 H new ATOM 1401 N LYS A 93 11.599 -2.375 -6.473 1.00 0.00 N ATOM 1402 CA LYS A 93 10.508 -1.415 -6.478 1.00 0.00 C ATOM 1403 C LYS A 93 10.038 -1.177 -5.042 1.00 0.00 C ATOM 1404 O LYS A 93 9.419 -2.049 -4.435 1.00 0.00 O ATOM 1405 CB LYS A 93 9.395 -1.874 -7.422 1.00 0.00 C ATOM 1406 CG LYS A 93 9.256 -0.920 -8.610 1.00 0.00 C ATOM 1407 CD LYS A 93 8.005 -1.244 -9.430 1.00 0.00 C ATOM 1408 CE LYS A 93 8.377 -1.888 -10.767 1.00 0.00 C ATOM 1409 NZ LYS A 93 9.268 -3.050 -10.553 1.00 0.00 N ATOM 0 H LYS A 93 11.319 -3.338 -6.284 1.00 0.00 H new ATOM 0 HA LYS A 93 10.847 -0.454 -6.866 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.610 -2.880 -7.782 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.451 -1.925 -6.879 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.204 0.108 -8.251 1.00 0.00 H new ATOM 0 HG3 LYS A 93 10.140 -0.992 -9.244 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.360 -1.917 -8.865 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.436 -0.331 -9.608 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.474 -2.206 -11.288 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.872 -1.156 -11.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.202 -3.693 -11.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.249 -2.721 -10.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.980 -3.554 -9.690 1.00 0.00 H new ATOM 1423 N GLU A 94 10.349 0.009 -4.540 1.00 0.00 N ATOM 1424 CA GLU A 94 9.966 0.373 -3.187 1.00 0.00 C ATOM 1425 C GLU A 94 8.822 1.389 -3.214 1.00 0.00 C ATOM 1426 O GLU A 94 8.931 2.434 -3.854 1.00 0.00 O ATOM 1427 CB GLU A 94 11.164 0.917 -2.405 1.00 0.00 C ATOM 1428 CG GLU A 94 11.995 -0.223 -1.813 1.00 0.00 C ATOM 1429 CD GLU A 94 13.480 0.142 -1.778 1.00 0.00 C ATOM 1430 OE1 GLU A 94 13.779 1.257 -1.297 1.00 0.00 O ATOM 1431 OE2 GLU A 94 14.283 -0.701 -2.232 1.00 0.00 O ATOM 0 H GLU A 94 10.862 0.730 -5.047 1.00 0.00 H new ATOM 0 HA GLU A 94 9.617 -0.524 -2.676 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.787 1.523 -3.063 1.00 0.00 H new ATOM 0 HB3 GLU A 94 10.815 1.571 -1.606 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.648 -0.445 -0.804 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.853 -1.127 -2.405 1.00 0.00 H new ATOM 1438 N TYR A 95 7.752 1.047 -2.511 1.00 0.00 N ATOM 1439 CA TYR A 95 6.590 1.916 -2.447 1.00 0.00 C ATOM 1440 C TYR A 95 6.264 2.289 -0.999 1.00 0.00 C ATOM 1441 O TYR A 95 6.421 1.472 -0.093 1.00 0.00 O ATOM 1442 CB TYR A 95 5.427 1.109 -3.028 1.00 0.00 C ATOM 1443 CG TYR A 95 5.484 0.942 -4.547 1.00 0.00 C ATOM 1444 CD1 TYR A 95 5.111 1.985 -5.371 1.00 0.00 C ATOM 1445 CD2 TYR A 95 5.909 -0.252 -5.095 1.00 0.00 C ATOM 1446 CE1 TYR A 95 5.164 1.827 -6.802 1.00 0.00 C ATOM 1447 CE2 TYR A 95 5.962 -0.410 -6.525 1.00 0.00 C ATOM 1448 CZ TYR A 95 5.587 0.637 -7.308 1.00 0.00 C ATOM 1449 OH TYR A 95 5.638 0.488 -8.659 1.00 0.00 O ATOM 0 H TYR A 95 7.666 0.180 -1.981 1.00 0.00 H new ATOM 0 HA TYR A 95 6.771 2.841 -2.995 1.00 0.00 H new ATOM 0 HB2 TYR A 95 5.415 0.123 -2.564 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.490 1.598 -2.761 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.779 2.919 -4.943 1.00 0.00 H new ATOM 0 HD2 TYR A 95 6.202 -1.068 -4.451 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.875 2.635 -7.458 1.00 0.00 H new ATOM 0 HE2 TYR A 95 6.292 -1.339 -6.966 1.00 0.00 H new ATOM 0 HH TYR A 95 5.483 -0.452 -8.891 1.00 0.00 H new ATOM 1459 N LEU A 96 5.815 3.524 -0.826 1.00 0.00 N ATOM 1460 CA LEU A 96 5.465 4.014 0.496 1.00 0.00 C ATOM 1461 C LEU A 96 3.944 4.144 0.601 1.00 0.00 C ATOM 1462 O LEU A 96 3.323 4.865 -0.179 1.00 0.00 O ATOM 1463 CB LEU A 96 6.215 5.312 0.801 1.00 0.00 C ATOM 1464 CG LEU A 96 7.577 5.156 1.481 1.00 0.00 C ATOM 1465 CD1 LEU A 96 8.134 6.514 1.912 1.00 0.00 C ATOM 1466 CD2 LEU A 96 7.496 4.173 2.651 1.00 0.00 C ATOM 0 H LEU A 96 5.686 4.199 -1.579 1.00 0.00 H new ATOM 0 HA LEU A 96 5.778 3.304 1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.358 5.854 -0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.583 5.933 1.436 1.00 0.00 H new ATOM 0 HG LEU A 96 8.275 4.737 0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.102 6.374 2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.252 7.153 1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.445 6.984 2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.477 4.080 3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 96 6.779 4.540 3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.174 3.198 2.285 1.00 0.00 H new ATOM 1478 N PHE A 97 3.387 3.435 1.571 1.00 0.00 N ATOM 1479 CA PHE A 97 1.951 3.461 1.789 1.00 0.00 C ATOM 1480 C PHE A 97 1.618 3.968 3.193 1.00 0.00 C ATOM 1481 O PHE A 97 2.367 3.725 4.138 1.00 0.00 O ATOM 1482 CB PHE A 97 1.450 2.022 1.646 1.00 0.00 C ATOM 1483 CG PHE A 97 1.574 1.458 0.230 1.00 0.00 C ATOM 1484 CD1 PHE A 97 0.781 1.937 -0.766 1.00 0.00 C ATOM 1485 CD2 PHE A 97 2.478 0.476 -0.034 1.00 0.00 C ATOM 1486 CE1 PHE A 97 0.897 1.413 -2.080 1.00 0.00 C ATOM 1487 CE2 PHE A 97 2.593 -0.048 -1.349 1.00 0.00 C ATOM 1488 CZ PHE A 97 1.800 0.431 -2.344 1.00 0.00 C ATOM 0 H PHE A 97 3.905 2.838 2.216 1.00 0.00 H new ATOM 0 HA PHE A 97 1.478 4.129 1.070 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.009 1.384 2.330 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.405 1.980 1.953 1.00 0.00 H new ATOM 0 HD1 PHE A 97 0.063 2.716 -0.557 1.00 0.00 H new ATOM 0 HD2 PHE A 97 3.108 0.095 0.756 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.268 1.794 -2.871 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.311 -0.827 -1.559 1.00 0.00 H new ATOM 0 HZ PHE A 97 1.887 0.032 -3.344 1.00 0.00 H new ATOM 1498 N GLN A 98 0.494 4.663 3.286 1.00 0.00 N ATOM 1499 CA GLN A 98 0.052 5.206 4.560 1.00 0.00 C ATOM 1500 C GLN A 98 -1.371 4.738 4.872 1.00 0.00 C ATOM 1501 O GLN A 98 -2.320 5.133 4.196 1.00 0.00 O ATOM 1502 CB GLN A 98 0.141 6.733 4.565 1.00 0.00 C ATOM 1503 CG GLN A 98 0.346 7.266 5.985 1.00 0.00 C ATOM 1504 CD GLN A 98 -0.385 8.595 6.182 1.00 0.00 C ATOM 1505 OE1 GLN A 98 -1.292 8.949 5.448 1.00 0.00 O ATOM 1506 NE2 GLN A 98 0.060 9.309 7.212 1.00 0.00 N ATOM 0 H GLN A 98 -0.124 4.863 2.500 1.00 0.00 H new ATOM 0 HA GLN A 98 0.715 4.834 5.341 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.966 7.055 3.929 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.771 7.155 4.142 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.018 6.536 6.708 1.00 0.00 H new ATOM 0 HG3 GLN A 98 1.411 7.400 6.177 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.824 8.953 7.787 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.363 10.212 7.427 1.00 0.00 H new ATOM 1515 N ALA A 99 -1.474 3.903 5.895 1.00 0.00 N ATOM 1516 CA ALA A 99 -2.765 3.377 6.305 1.00 0.00 C ATOM 1517 C ALA A 99 -3.522 4.450 7.091 1.00 0.00 C ATOM 1518 O ALA A 99 -3.481 5.628 6.738 1.00 0.00 O ATOM 1519 CB ALA A 99 -2.561 2.096 7.115 1.00 0.00 C ATOM 0 H ALA A 99 -0.684 3.577 6.453 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.368 3.119 5.434 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.530 1.702 7.422 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.046 1.356 6.502 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.962 2.316 7.999 1.00 0.00 H new ATOM 1525 N LYS A 100 -4.194 4.005 8.142 1.00 0.00 N ATOM 1526 CA LYS A 100 -4.958 4.912 8.981 1.00 0.00 C ATOM 1527 C LYS A 100 -4.411 4.863 10.408 1.00 0.00 C ATOM 1528 O LYS A 100 -4.522 5.835 11.153 1.00 0.00 O ATOM 1529 CB LYS A 100 -6.453 4.600 8.884 1.00 0.00 C ATOM 1530 CG LYS A 100 -6.802 3.339 9.678 1.00 0.00 C ATOM 1531 CD LYS A 100 -8.040 3.564 10.548 1.00 0.00 C ATOM 1532 CE LYS A 100 -8.471 2.266 11.234 1.00 0.00 C ATOM 1533 NZ LYS A 100 -9.933 2.071 11.103 1.00 0.00 N ATOM 0 H LYS A 100 -4.225 3.028 8.432 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.847 5.939 8.632 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.030 5.444 9.263 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.733 4.466 7.839 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.981 2.511 8.992 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.958 3.056 10.307 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.827 4.324 11.300 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.857 3.943 9.934 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.944 1.421 10.790 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.195 2.296 12.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.209 1.186 11.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.431 2.869 11.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.188 2.021 10.096 1.00 0.00 H new ATOM 1547 N ASP A 101 -3.831 3.721 10.747 1.00 0.00 N ATOM 1548 CA ASP A 101 -3.266 3.532 12.072 1.00 0.00 C ATOM 1549 C ASP A 101 -2.292 2.352 12.044 1.00 0.00 C ATOM 1550 O ASP A 101 -2.023 1.791 10.983 1.00 0.00 O ATOM 1551 CB ASP A 101 -4.358 3.220 13.097 1.00 0.00 C ATOM 1552 CG ASP A 101 -5.418 4.310 13.266 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -5.011 5.459 13.543 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -6.611 3.970 13.114 1.00 0.00 O ATOM 0 H ASP A 101 -3.740 2.917 10.126 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.758 4.453 12.356 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -4.854 2.294 12.806 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.887 3.039 14.063 1.00 0.00 H new ATOM 1559 N GLU A 102 -1.792 2.011 13.222 1.00 0.00 N ATOM 1560 CA GLU A 102 -0.854 0.908 13.346 1.00 0.00 C ATOM 1561 C GLU A 102 -1.562 -0.422 13.083 1.00 0.00 C ATOM 1562 O GLU A 102 -0.916 -1.465 12.988 1.00 0.00 O ATOM 1563 CB GLU A 102 -0.183 0.910 14.721 1.00 0.00 C ATOM 1564 CG GLU A 102 0.798 2.077 14.850 1.00 0.00 C ATOM 1565 CD GLU A 102 2.185 1.687 14.334 1.00 0.00 C ATOM 1566 OE1 GLU A 102 2.228 0.906 13.358 1.00 0.00 O ATOM 1567 OE2 GLU A 102 3.170 2.178 14.926 1.00 0.00 O ATOM 0 H GLU A 102 -2.019 2.479 14.100 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.072 1.036 12.597 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.942 0.980 15.500 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.344 -0.032 14.874 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.425 2.934 14.289 1.00 0.00 H new ATOM 0 HG3 GLU A 102 0.867 2.385 15.893 1.00 0.00 H new ATOM 1574 N ALA A 103 -2.880 -0.343 12.973 1.00 0.00 N ATOM 1575 CA ALA A 103 -3.683 -1.528 12.723 1.00 0.00 C ATOM 1576 C ALA A 103 -3.815 -1.740 11.213 1.00 0.00 C ATOM 1577 O ALA A 103 -3.232 -2.671 10.660 1.00 0.00 O ATOM 1578 CB ALA A 103 -5.041 -1.380 13.412 1.00 0.00 C ATOM 0 H ALA A 103 -3.412 0.524 13.052 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.201 -2.413 13.139 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.643 -2.269 13.224 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -4.893 -1.262 14.485 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.555 -0.504 13.018 1.00 0.00 H new ATOM 1584 N GLU A 104 -4.585 -0.861 10.590 1.00 0.00 N ATOM 1585 CA GLU A 104 -4.801 -0.940 9.155 1.00 0.00 C ATOM 1586 C GLU A 104 -3.513 -1.364 8.447 1.00 0.00 C ATOM 1587 O GLU A 104 -3.543 -2.196 7.541 1.00 0.00 O ATOM 1588 CB GLU A 104 -5.318 0.390 8.604 1.00 0.00 C ATOM 1589 CG GLU A 104 -5.830 0.229 7.171 1.00 0.00 C ATOM 1590 CD GLU A 104 -7.347 0.031 7.151 1.00 0.00 C ATOM 1591 OE1 GLU A 104 -7.797 -0.975 7.741 1.00 0.00 O ATOM 1592 OE2 GLU A 104 -8.023 0.891 6.545 1.00 0.00 O ATOM 0 H GLU A 104 -5.067 -0.090 11.052 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.563 -1.695 8.963 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.120 0.764 9.240 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.520 1.132 8.627 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.567 1.110 6.586 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.342 -0.624 6.700 1.00 0.00 H new ATOM 1599 N MET A 105 -2.412 -0.772 8.885 1.00 0.00 N ATOM 1600 CA MET A 105 -1.116 -1.077 8.305 1.00 0.00 C ATOM 1601 C MET A 105 -0.672 -2.495 8.670 1.00 0.00 C ATOM 1602 O MET A 105 -0.490 -3.338 7.792 1.00 0.00 O ATOM 1603 CB MET A 105 -0.080 -0.072 8.811 1.00 0.00 C ATOM 1604 CG MET A 105 0.947 0.252 7.723 1.00 0.00 C ATOM 1605 SD MET A 105 2.359 1.075 8.442 1.00 0.00 S ATOM 1606 CE MET A 105 2.807 -0.116 9.694 1.00 0.00 C ATOM 0 H MET A 105 -2.391 -0.082 9.636 1.00 0.00 H new ATOM 0 HA MET A 105 -1.200 -1.010 7.220 1.00 0.00 H new ATOM 0 HB2 MET A 105 -0.580 0.843 9.128 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.428 -0.477 9.686 1.00 0.00 H new ATOM 0 HG2 MET A 105 1.264 -0.665 7.226 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.494 0.887 6.962 1.00 0.00 H new ATOM 0 HE1 MET A 105 3.862 -0.002 9.944 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.203 0.049 10.586 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.631 -1.124 9.317 1.00 0.00 H new ATOM 1616 N SER A 106 -0.511 -2.715 9.966 1.00 0.00 N ATOM 1617 CA SER A 106 -0.092 -4.017 10.458 1.00 0.00 C ATOM 1618 C SER A 106 -0.784 -5.125 9.661 1.00 0.00 C ATOM 1619 O SER A 106 -0.166 -6.137 9.334 1.00 0.00 O ATOM 1620 CB SER A 106 -0.397 -4.166 11.950 1.00 0.00 C ATOM 1621 OG SER A 106 0.748 -3.908 12.757 1.00 0.00 O ATOM 0 H SER A 106 -0.663 -2.014 10.691 1.00 0.00 H new ATOM 0 HA SER A 106 0.987 -4.102 10.325 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.198 -3.480 12.227 1.00 0.00 H new ATOM 0 HB3 SER A 106 -0.760 -5.175 12.147 1.00 0.00 H new ATOM 0 HG SER A 106 0.681 -3.009 13.142 1.00 0.00 H new ATOM 1627 N SER A 107 -2.056 -4.896 9.372 1.00 0.00 N ATOM 1628 CA SER A 107 -2.839 -5.862 8.620 1.00 0.00 C ATOM 1629 C SER A 107 -2.282 -5.995 7.201 1.00 0.00 C ATOM 1630 O SER A 107 -2.022 -7.103 6.734 1.00 0.00 O ATOM 1631 CB SER A 107 -4.314 -5.460 8.575 1.00 0.00 C ATOM 1632 OG SER A 107 -5.155 -6.453 9.156 1.00 0.00 O ATOM 0 H SER A 107 -2.565 -4.055 9.645 1.00 0.00 H new ATOM 0 HA SER A 107 -2.768 -6.826 9.124 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.449 -4.516 9.103 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.613 -5.292 7.540 1.00 0.00 H new ATOM 0 HG SER A 107 -6.089 -6.159 9.110 1.00 0.00 H new ATOM 1638 N TRP A 108 -2.115 -4.850 6.555 1.00 0.00 N ATOM 1639 CA TRP A 108 -1.593 -4.825 5.199 1.00 0.00 C ATOM 1640 C TRP A 108 -0.388 -5.766 5.139 1.00 0.00 C ATOM 1641 O TRP A 108 -0.411 -6.765 4.421 1.00 0.00 O ATOM 1642 CB TRP A 108 -1.259 -3.397 4.766 1.00 0.00 C ATOM 1643 CG TRP A 108 -2.410 -2.674 4.063 1.00 0.00 C ATOM 1644 CD1 TRP A 108 -3.132 -1.639 4.514 1.00 0.00 C ATOM 1645 CD2 TRP A 108 -2.944 -2.976 2.757 1.00 0.00 C ATOM 1646 NE1 TRP A 108 -4.090 -1.254 3.597 1.00 0.00 N ATOM 1647 CE2 TRP A 108 -3.972 -2.092 2.495 1.00 0.00 C ATOM 1648 CE3 TRP A 108 -2.572 -3.963 1.828 1.00 0.00 C ATOM 1649 CZ2 TRP A 108 -4.712 -2.107 1.307 1.00 0.00 C ATOM 1650 CZ3 TRP A 108 -3.322 -3.965 0.645 1.00 0.00 C ATOM 1651 CH2 TRP A 108 -4.359 -3.082 0.366 1.00 0.00 C ATOM 0 H TRP A 108 -2.332 -3.933 6.946 1.00 0.00 H new ATOM 0 HA TRP A 108 -2.344 -5.175 4.490 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -0.964 -2.822 5.644 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -0.398 -3.423 4.098 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -2.983 -1.166 5.473 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -4.761 -0.494 3.708 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -1.771 -4.664 2.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -5.512 -1.404 1.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -3.077 -4.705 -0.103 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -4.890 -3.148 -0.572 1.00 0.00 H new ATOM 1662 N LEU A 109 0.636 -5.413 5.902 1.00 0.00 N ATOM 1663 CA LEU A 109 1.848 -6.213 5.944 1.00 0.00 C ATOM 1664 C LEU A 109 1.474 -7.693 6.046 1.00 0.00 C ATOM 1665 O LEU A 109 1.962 -8.515 5.272 1.00 0.00 O ATOM 1666 CB LEU A 109 2.769 -5.732 7.067 1.00 0.00 C ATOM 1667 CG LEU A 109 3.525 -4.429 6.803 1.00 0.00 C ATOM 1668 CD1 LEU A 109 4.806 -4.689 6.009 1.00 0.00 C ATOM 1669 CD2 LEU A 109 2.623 -3.402 6.115 1.00 0.00 C ATOM 0 H LEU A 109 0.651 -4.584 6.496 1.00 0.00 H new ATOM 0 HA LEU A 109 2.417 -6.091 5.022 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.172 -5.606 7.970 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.498 -6.516 7.273 1.00 0.00 H new ATOM 0 HG LEU A 109 3.822 -4.006 7.763 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.324 -3.746 5.835 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.454 -5.360 6.573 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.554 -5.147 5.052 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.185 -2.485 5.939 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.275 -3.803 5.163 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.766 -3.186 6.753 1.00 0.00 H new ATOM 1681 N ARG A 110 0.612 -7.987 7.008 1.00 0.00 N ATOM 1682 CA ARG A 110 0.167 -9.354 7.222 1.00 0.00 C ATOM 1683 C ARG A 110 -0.448 -9.919 5.940 1.00 0.00 C ATOM 1684 O ARG A 110 -0.280 -11.098 5.634 1.00 0.00 O ATOM 1685 CB ARG A 110 -0.864 -9.427 8.350 1.00 0.00 C ATOM 1686 CG ARG A 110 -1.515 -10.811 8.409 1.00 0.00 C ATOM 1687 CD ARG A 110 -2.458 -10.923 9.609 1.00 0.00 C ATOM 1688 NE ARG A 110 -2.715 -12.347 9.919 1.00 0.00 N ATOM 1689 CZ ARG A 110 -3.701 -12.775 10.719 1.00 0.00 C ATOM 1690 NH1 ARG A 110 -4.529 -11.891 11.295 1.00 0.00 N ATOM 1691 NH2 ARG A 110 -3.860 -14.086 10.944 1.00 0.00 N ATOM 0 H ARG A 110 0.210 -7.302 7.648 1.00 0.00 H new ATOM 0 HA ARG A 110 1.038 -9.946 7.502 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.382 -9.207 9.303 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.630 -8.667 8.197 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.069 -10.996 7.488 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.743 -11.577 8.476 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.019 -10.427 10.475 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.397 -10.414 9.393 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.104 -13.046 9.497 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -4.408 -10.893 11.124 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.280 -12.217 11.904 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.230 -14.759 10.506 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -4.611 -14.412 11.553 1.00 0.00 H new ATOM 1705 N VAL A 111 -1.149 -9.050 5.226 1.00 0.00 N ATOM 1706 CA VAL A 111 -1.790 -9.447 3.984 1.00 0.00 C ATOM 1707 C VAL A 111 -0.739 -9.527 2.875 1.00 0.00 C ATOM 1708 O VAL A 111 -0.543 -10.583 2.276 1.00 0.00 O ATOM 1709 CB VAL A 111 -2.934 -8.486 3.655 1.00 0.00 C ATOM 1710 CG1 VAL A 111 -3.774 -9.013 2.489 1.00 0.00 C ATOM 1711 CG2 VAL A 111 -3.805 -8.229 4.886 1.00 0.00 C ATOM 0 H VAL A 111 -1.287 -8.073 5.484 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.234 -10.438 4.083 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.496 -7.535 3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.580 -8.311 2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.144 -9.121 1.606 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.197 -9.982 2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.611 -7.543 4.625 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.229 -9.171 5.235 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.197 -7.790 5.677 1.00 0.00 H new ATOM 1721 N VAL A 112 -0.090 -8.397 2.636 1.00 0.00 N ATOM 1722 CA VAL A 112 0.936 -8.325 1.609 1.00 0.00 C ATOM 1723 C VAL A 112 1.865 -9.534 1.739 1.00 0.00 C ATOM 1724 O VAL A 112 2.302 -10.095 0.736 1.00 0.00 O ATOM 1725 CB VAL A 112 1.676 -6.989 1.701 1.00 0.00 C ATOM 1726 CG1 VAL A 112 2.839 -6.938 0.709 1.00 0.00 C ATOM 1727 CG2 VAL A 112 0.718 -5.816 1.485 1.00 0.00 C ATOM 0 H VAL A 112 -0.255 -7.523 3.136 1.00 0.00 H new ATOM 0 HA VAL A 112 0.487 -8.364 0.616 1.00 0.00 H new ATOM 0 HB VAL A 112 2.089 -6.903 2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 112 3.348 -5.978 0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 112 3.541 -7.742 0.930 1.00 0.00 H new ATOM 0 HG13 VAL A 112 2.458 -7.057 -0.305 1.00 0.00 H new ATOM 0 HG21 VAL A 112 1.269 -4.878 1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 112 0.262 -5.896 0.498 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -0.061 -5.837 2.247 1.00 0.00 H new ATOM 1737 N ASN A 113 2.140 -9.898 2.983 1.00 0.00 N ATOM 1738 CA ASN A 113 3.010 -11.029 3.256 1.00 0.00 C ATOM 1739 C ASN A 113 2.282 -12.326 2.895 1.00 0.00 C ATOM 1740 O ASN A 113 2.893 -13.263 2.384 1.00 0.00 O ATOM 1741 CB ASN A 113 3.381 -11.093 4.739 1.00 0.00 C ATOM 1742 CG ASN A 113 4.724 -10.407 4.999 1.00 0.00 C ATOM 1743 OD1 ASN A 113 5.777 -11.021 4.985 1.00 0.00 O ATOM 1744 ND2 ASN A 113 4.627 -9.101 5.235 1.00 0.00 N ATOM 0 H ASN A 113 1.776 -9.430 3.813 1.00 0.00 H new ATOM 0 HA ASN A 113 3.916 -10.908 2.662 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.603 -10.614 5.333 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.432 -12.133 5.060 1.00 0.00 H new ATOM 0 HD21 ASN A 113 5.467 -8.552 5.419 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.713 -8.649 5.232 1.00 0.00 H new ATOM 1751 N ALA A 114 0.987 -12.337 3.175 1.00 0.00 N ATOM 1752 CA ALA A 114 0.169 -13.503 2.885 1.00 0.00 C ATOM 1753 C ALA A 114 0.057 -13.678 1.370 1.00 0.00 C ATOM 1754 O ALA A 114 -0.304 -14.752 0.890 1.00 0.00 O ATOM 1755 CB ALA A 114 -1.196 -13.349 3.558 1.00 0.00 C ATOM 0 H ALA A 114 0.484 -11.558 3.599 1.00 0.00 H new ATOM 0 HA ALA A 114 0.630 -14.405 3.287 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.810 -14.223 3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -1.062 -13.259 4.636 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -1.690 -12.455 3.178 1.00 0.00 H new ATOM 1761 N ALA A 115 0.371 -12.607 0.657 1.00 0.00 N ATOM 1762 CA ALA A 115 0.310 -12.628 -0.794 1.00 0.00 C ATOM 1763 C ALA A 115 1.672 -13.044 -1.352 1.00 0.00 C ATOM 1764 O ALA A 115 1.747 -13.827 -2.298 1.00 0.00 O ATOM 1765 CB ALA A 115 -0.136 -11.258 -1.307 1.00 0.00 C ATOM 0 H ALA A 115 0.669 -11.718 1.058 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.423 -13.358 -1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.182 -11.274 -2.396 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.122 -11.023 -0.906 1.00 0.00 H new ATOM 0 HB3 ALA A 115 0.577 -10.499 -0.985 1.00 0.00 H new ATOM 1771 N ILE A 116 2.716 -12.502 -0.743 1.00 0.00 N ATOM 1772 CA ILE A 116 4.072 -12.807 -1.166 1.00 0.00 C ATOM 1773 C ILE A 116 4.304 -14.316 -1.071 1.00 0.00 C ATOM 1774 O ILE A 116 4.622 -14.963 -2.068 1.00 0.00 O ATOM 1775 CB ILE A 116 5.082 -11.977 -0.370 1.00 0.00 C ATOM 1776 CG1 ILE A 116 5.060 -10.513 -0.814 1.00 0.00 C ATOM 1777 CG2 ILE A 116 6.484 -12.584 -0.463 1.00 0.00 C ATOM 1778 CD1 ILE A 116 5.697 -9.610 0.244 1.00 0.00 C ATOM 0 H ILE A 116 2.650 -11.853 0.041 1.00 0.00 H new ATOM 0 HA ILE A 116 4.218 -12.527 -2.209 1.00 0.00 H new ATOM 0 HB ILE A 116 4.791 -11.999 0.680 1.00 0.00 H new ATOM 0 HG12 ILE A 116 5.595 -10.407 -1.758 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.032 -10.199 -0.994 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.183 -11.975 0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 116 6.469 -13.597 -0.061 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.800 -12.613 -1.506 1.00 0.00 H new ATOM 0 HD11 ILE A 116 5.669 -8.575 -0.096 1.00 0.00 H new ATOM 0 HD12 ILE A 116 5.145 -9.700 1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 116 6.732 -9.911 0.404 1.00 0.00 H new ATOM 1790 N ALA A 117 4.137 -14.833 0.138 1.00 0.00 N ATOM 1791 CA ALA A 117 4.325 -16.254 0.376 1.00 0.00 C ATOM 1792 C ALA A 117 3.498 -17.050 -0.635 1.00 0.00 C ATOM 1793 O ALA A 117 4.049 -17.790 -1.448 1.00 0.00 O ATOM 1794 CB ALA A 117 3.951 -16.582 1.823 1.00 0.00 C ATOM 0 H ALA A 117 3.874 -14.293 0.963 1.00 0.00 H new ATOM 0 HA ALA A 117 5.370 -16.532 0.238 1.00 0.00 H new ATOM 0 HB1 ALA A 117 4.092 -17.648 2.003 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.587 -16.013 2.501 1.00 0.00 H new ATOM 0 HB3 ALA A 117 2.908 -16.319 1.998 1.00 0.00 H new ATOM 1800 N SER A 118 2.188 -16.871 -0.551 1.00 0.00 N ATOM 1801 CA SER A 118 1.279 -17.563 -1.449 1.00 0.00 C ATOM 1802 C SER A 118 1.674 -17.296 -2.903 1.00 0.00 C ATOM 1803 O SER A 118 1.316 -16.263 -3.467 1.00 0.00 O ATOM 1804 CB SER A 118 -0.169 -17.134 -1.206 1.00 0.00 C ATOM 1805 OG SER A 118 -1.066 -18.241 -1.235 1.00 0.00 O ATOM 0 H SER A 118 1.734 -16.257 0.125 1.00 0.00 H new ATOM 0 HA SER A 118 1.351 -18.632 -1.250 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.242 -16.634 -0.240 1.00 0.00 H new ATOM 0 HB3 SER A 118 -0.464 -16.408 -1.964 1.00 0.00 H new ATOM 0 HG SER A 118 -1.980 -17.926 -1.074 1.00 0.00 H new