USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 634 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 80 GLN : amide:sc= 1.8 K(o=3.1,f=-0.12) USER MOD Set 1.2: A 102 THR OG1 : rot 112:sc= 1.26 USER MOD Set 2.1: A 30 THR OG1 : rot 179:sc= 1.88 USER MOD Set 2.2: A 63 TYR OH : rot -31:sc= 1.74 USER MOD Single : A 29 GLN : amide:sc= 1.19 K(o=1.2,f=-0.77) USER MOD Single : A 37 THR OG1 : rot 89:sc= 1.33 USER MOD Single : A 38 GLN : amide:sc= -0.0394 K(o=-0.039,f=-0.7) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 130:sc= -0.0228 USER MOD Single : A 59 CYS SG : rot 180:sc= -0.0337 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -170:sc= 1.2 USER MOD Single : A 73 LYS NZ :NH3+ 141:sc= 1 (180deg=-0.125!) USER MOD Single : A 75 LYS NZ :NH3+ 165:sc= 1.01 (180deg=0.855) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.581 X(o=-0.58,f=-0.92) USER MOD Single : A 81 HIS : no HD1:sc= -0.031 X(o=-0.031,f=0) USER MOD Single : A 82 GLN : amide:sc= -0.0932 K(o=-0.093,f=-1.4) USER MOD Single : A 83 MET CE :methyl 159:sc= 0 (180deg=-0.805) USER MOD Single : A 85 ASN : amide:sc= -0.389 K(o=-0.39,f=-1.1) USER MOD Single : A 86 GLN : amide:sc=-0.00811 K(o=-0.0081,f=-0.8) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl -156:sc= -0.0719 (180deg=-0.617) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N GLN A 29 15.095 2.500 5.307 1.00 0.91 N ATOM 28 CA GLN A 29 14.566 1.745 4.164 1.00 0.69 C ATOM 29 C GLN A 29 14.882 0.237 4.234 1.00 0.57 C ATOM 30 O GLN A 29 15.780 -0.222 4.947 1.00 0.83 O ATOM 31 CB GLN A 29 15.069 2.358 2.842 1.00 0.76 C ATOM 32 CG GLN A 29 14.010 3.260 2.187 1.00 0.96 C ATOM 33 CD GLN A 29 14.107 4.759 2.478 1.00 1.92 C ATOM 34 OE1 GLN A 29 15.129 5.321 2.860 1.00 2.61 O ATOM 35 NE2 GLN A 29 13.043 5.493 2.258 1.00 2.36 N ATOM 0 HA GLN A 29 13.480 1.825 4.205 1.00 0.69 H new ATOM 0 HB2 GLN A 29 15.972 2.938 3.032 1.00 0.76 H new ATOM 0 HB3 GLN A 29 15.342 1.559 2.152 1.00 0.76 H new ATOM 0 HG2 GLN A 29 14.064 3.119 1.108 1.00 0.96 H new ATOM 0 HG3 GLN A 29 13.026 2.915 2.505 1.00 0.96 H new ATOM 0 HE21 GLN A 29 12.178 5.055 1.940 1.00 2.36 H new ATOM 0 HE22 GLN A 29 13.080 6.502 2.405 1.00 2.36 H new ATOM 44 N THR A 30 14.138 -0.541 3.448 1.00 0.39 N ATOM 45 CA THR A 30 14.370 -1.971 3.172 1.00 0.38 C ATOM 46 C THR A 30 14.554 -2.192 1.665 1.00 0.42 C ATOM 47 O THR A 30 14.415 -1.254 0.875 1.00 0.62 O ATOM 48 CB THR A 30 13.217 -2.843 3.699 1.00 0.45 C ATOM 49 OG1 THR A 30 11.997 -2.423 3.156 1.00 0.51 O ATOM 50 CG2 THR A 30 13.096 -2.824 5.215 1.00 0.61 C ATOM 0 H THR A 30 13.317 -0.181 2.961 1.00 0.39 H new ATOM 0 HA THR A 30 15.279 -2.270 3.695 1.00 0.38 H new ATOM 0 HB THR A 30 13.451 -3.862 3.390 1.00 0.45 H new ATOM 0 HG1 THR A 30 11.277 -3.002 3.482 1.00 0.51 H new ATOM 0 HG21 THR A 30 12.264 -3.458 5.522 1.00 0.61 H new ATOM 0 HG22 THR A 30 14.019 -3.197 5.658 1.00 0.61 H new ATOM 0 HG23 THR A 30 12.917 -1.803 5.553 1.00 0.61 H new ATOM 58 N GLU A 31 14.800 -3.430 1.228 1.00 0.47 N ATOM 59 CA GLU A 31 14.585 -3.826 -0.169 1.00 0.50 C ATOM 60 C GLU A 31 13.082 -3.882 -0.516 1.00 0.37 C ATOM 61 O GLU A 31 12.692 -3.675 -1.670 1.00 0.37 O ATOM 62 CB GLU A 31 15.209 -5.209 -0.398 1.00 0.74 C ATOM 63 CG GLU A 31 16.741 -5.218 -0.307 1.00 1.14 C ATOM 64 CD GLU A 31 17.287 -6.588 -0.719 1.00 2.23 C ATOM 65 OE1 GLU A 31 17.842 -7.322 0.142 1.00 3.26 O ATOM 66 OE2 GLU A 31 17.104 -6.968 -1.903 1.00 2.97 O ATOM 0 H GLU A 31 15.150 -4.180 1.824 1.00 0.47 H new ATOM 0 HA GLU A 31 15.054 -3.082 -0.813 1.00 0.50 H new ATOM 0 HB2 GLU A 31 14.806 -5.906 0.337 1.00 0.74 H new ATOM 0 HB3 GLU A 31 14.910 -5.574 -1.381 1.00 0.74 H new ATOM 0 HG2 GLU A 31 17.156 -4.444 -0.953 1.00 1.14 H new ATOM 0 HG3 GLU A 31 17.054 -4.985 0.711 1.00 1.14 H new ATOM 73 N GLY A 32 12.240 -4.151 0.493 1.00 0.37 N ATOM 74 CA GLY A 32 10.788 -4.286 0.378 1.00 0.38 C ATOM 75 C GLY A 32 10.056 -2.967 0.131 1.00 0.35 C ATOM 76 O GLY A 32 9.167 -2.938 -0.707 1.00 0.38 O ATOM 0 H GLY A 32 12.570 -4.285 1.449 1.00 0.37 H new ATOM 0 HA2 GLY A 32 10.561 -4.973 -0.437 1.00 0.38 H new ATOM 0 HA3 GLY A 32 10.402 -4.738 1.292 1.00 0.38 H new ATOM 80 N GLU A 33 10.455 -1.863 0.773 1.00 0.32 N ATOM 81 CA GLU A 33 9.922 -0.510 0.563 1.00 0.32 C ATOM 82 C GLU A 33 9.881 -0.150 -0.934 1.00 0.31 C ATOM 83 O GLU A 33 8.858 0.293 -1.463 1.00 0.36 O ATOM 84 CB GLU A 33 10.831 0.449 1.373 1.00 0.30 C ATOM 85 CG GLU A 33 10.133 1.646 2.013 1.00 0.33 C ATOM 86 CD GLU A 33 10.199 2.935 1.175 1.00 0.37 C ATOM 87 OE1 GLU A 33 9.670 2.987 0.043 1.00 1.88 O ATOM 88 OE2 GLU A 33 10.816 3.921 1.646 1.00 2.00 O ATOM 0 H GLU A 33 11.188 -1.888 1.482 1.00 0.32 H new ATOM 0 HA GLU A 33 8.890 -0.434 0.906 1.00 0.32 H new ATOM 0 HB2 GLU A 33 11.322 -0.124 2.160 1.00 0.30 H new ATOM 0 HB3 GLU A 33 11.615 0.820 0.713 1.00 0.30 H new ATOM 0 HG2 GLU A 33 9.087 1.392 2.188 1.00 0.33 H new ATOM 0 HG3 GLU A 33 10.582 1.836 2.988 1.00 0.33 H new ATOM 95 N LEU A 34 10.973 -0.478 -1.634 1.00 0.26 N ATOM 96 CA LEU A 34 11.164 -0.281 -3.067 1.00 0.27 C ATOM 97 C LEU A 34 10.245 -1.203 -3.865 1.00 0.26 C ATOM 98 O LEU A 34 9.415 -0.730 -4.632 1.00 0.27 O ATOM 99 CB LEU A 34 12.638 -0.533 -3.442 1.00 0.29 C ATOM 100 CG LEU A 34 13.684 -0.023 -2.442 1.00 0.29 C ATOM 101 CD1 LEU A 34 15.093 -0.285 -2.975 1.00 0.36 C ATOM 102 CD2 LEU A 34 13.535 1.471 -2.149 1.00 0.32 C ATOM 0 H LEU A 34 11.784 -0.909 -1.191 1.00 0.26 H new ATOM 0 HA LEU A 34 10.909 0.750 -3.314 1.00 0.27 H new ATOM 0 HB2 LEU A 34 12.781 -1.606 -3.571 1.00 0.29 H new ATOM 0 HB3 LEU A 34 12.831 -0.067 -4.408 1.00 0.29 H new ATOM 0 HG LEU A 34 13.520 -0.567 -1.512 1.00 0.29 H new ATOM 0 HD11 LEU A 34 15.827 0.081 -2.257 1.00 0.36 H new ATOM 0 HD12 LEU A 34 15.233 -1.356 -3.123 1.00 0.36 H new ATOM 0 HD13 LEU A 34 15.225 0.233 -3.925 1.00 0.36 H new ATOM 0 HD21 LEU A 34 14.299 1.780 -1.436 1.00 0.32 H new ATOM 0 HD22 LEU A 34 13.651 2.036 -3.074 1.00 0.32 H new ATOM 0 HD23 LEU A 34 12.548 1.663 -1.728 1.00 0.32 H new ATOM 114 N ARG A 35 10.329 -2.518 -3.628 1.00 0.27 N ATOM 115 CA ARG A 35 9.536 -3.537 -4.330 1.00 0.35 C ATOM 116 C ARG A 35 8.038 -3.258 -4.218 1.00 0.35 C ATOM 117 O ARG A 35 7.324 -3.292 -5.216 1.00 0.38 O ATOM 118 CB ARG A 35 9.892 -4.910 -3.744 1.00 0.43 C ATOM 119 CG ARG A 35 9.016 -6.038 -4.316 1.00 0.55 C ATOM 120 CD ARG A 35 9.803 -7.051 -5.158 1.00 0.82 C ATOM 121 NE ARG A 35 10.563 -7.995 -4.324 1.00 1.28 N ATOM 122 CZ ARG A 35 11.862 -8.033 -4.094 1.00 2.15 C ATOM 123 NH1 ARG A 35 12.728 -7.213 -4.616 1.00 2.87 N ATOM 124 NH2 ARG A 35 12.351 -8.925 -3.289 1.00 2.90 N ATOM 0 H ARG A 35 10.961 -2.911 -2.931 1.00 0.27 H new ATOM 0 HA ARG A 35 9.774 -3.516 -5.393 1.00 0.35 H new ATOM 0 HB2 ARG A 35 10.940 -5.129 -3.949 1.00 0.43 H new ATOM 0 HB3 ARG A 35 9.779 -4.880 -2.660 1.00 0.43 H new ATOM 0 HG2 ARG A 35 8.527 -6.561 -3.494 1.00 0.55 H new ATOM 0 HG3 ARG A 35 8.228 -5.601 -4.929 1.00 0.55 H new ATOM 0 HD2 ARG A 35 9.114 -7.605 -5.795 1.00 0.82 H new ATOM 0 HD3 ARG A 35 10.488 -6.518 -5.818 1.00 0.82 H new ATOM 0 HE ARG A 35 10.012 -8.718 -3.861 1.00 1.28 H new ATOM 0 HH11 ARG A 35 12.416 -6.478 -5.251 1.00 2.87 H new ATOM 0 HH12 ARG A 35 13.718 -7.305 -4.390 1.00 2.87 H new ATOM 0 HH21 ARG A 35 11.732 -9.596 -2.835 1.00 2.90 H new ATOM 0 HH22 ARG A 35 13.355 -8.955 -3.111 1.00 2.90 H new ATOM 138 N VAL A 36 7.576 -2.954 -3.009 1.00 0.32 N ATOM 139 CA VAL A 36 6.182 -2.638 -2.728 1.00 0.34 C ATOM 140 C VAL A 36 5.812 -1.387 -3.525 1.00 0.36 C ATOM 141 O VAL A 36 4.826 -1.419 -4.255 1.00 0.37 O ATOM 142 CB VAL A 36 5.943 -2.435 -1.218 1.00 0.38 C ATOM 143 CG1 VAL A 36 4.566 -1.824 -0.919 1.00 0.42 C ATOM 144 CG2 VAL A 36 6.035 -3.785 -0.495 1.00 0.38 C ATOM 0 H VAL A 36 8.172 -2.920 -2.182 1.00 0.32 H new ATOM 0 HA VAL A 36 5.546 -3.471 -3.029 1.00 0.34 H new ATOM 0 HB VAL A 36 6.710 -1.745 -0.866 1.00 0.38 H new ATOM 0 HG11 VAL A 36 4.448 -1.702 0.158 1.00 0.42 H new ATOM 0 HG12 VAL A 36 4.486 -0.852 -1.405 1.00 0.42 H new ATOM 0 HG13 VAL A 36 3.785 -2.484 -1.297 1.00 0.42 H new ATOM 0 HG21 VAL A 36 5.866 -3.639 0.572 1.00 0.38 H new ATOM 0 HG22 VAL A 36 5.280 -4.463 -0.893 1.00 0.38 H new ATOM 0 HG23 VAL A 36 7.025 -4.214 -0.650 1.00 0.38 H new ATOM 154 N THR A 37 6.638 -0.327 -3.481 1.00 0.36 N ATOM 155 CA THR A 37 6.402 0.896 -4.273 1.00 0.39 C ATOM 156 C THR A 37 6.311 0.601 -5.774 1.00 0.38 C ATOM 157 O THR A 37 5.389 1.059 -6.446 1.00 0.40 O ATOM 158 CB THR A 37 7.476 1.970 -4.024 1.00 0.40 C ATOM 159 OG1 THR A 37 7.625 2.317 -2.665 1.00 0.41 O ATOM 160 CG2 THR A 37 7.201 3.282 -4.757 1.00 0.44 C ATOM 0 H THR A 37 7.478 -0.292 -2.904 1.00 0.36 H new ATOM 0 HA THR A 37 5.442 1.285 -3.935 1.00 0.39 H new ATOM 0 HB THR A 37 8.381 1.493 -4.401 1.00 0.40 H new ATOM 0 HG1 THR A 37 8.286 1.726 -2.247 1.00 0.41 H new ATOM 0 HG21 THR A 37 7.996 3.995 -4.538 1.00 0.44 H new ATOM 0 HG22 THR A 37 7.164 3.098 -5.831 1.00 0.44 H new ATOM 0 HG23 THR A 37 6.246 3.691 -4.426 1.00 0.44 H new ATOM 168 N GLN A 38 7.214 -0.234 -6.283 1.00 0.38 N ATOM 169 CA GLN A 38 7.296 -0.640 -7.690 1.00 0.39 C ATOM 170 C GLN A 38 6.042 -1.393 -8.181 1.00 0.44 C ATOM 171 O GLN A 38 5.716 -1.317 -9.367 1.00 0.76 O ATOM 172 CB GLN A 38 8.563 -1.501 -7.893 1.00 0.47 C ATOM 173 CG GLN A 38 9.803 -0.773 -8.388 1.00 0.70 C ATOM 174 CD GLN A 38 10.594 0.008 -7.336 1.00 1.06 C ATOM 175 OE1 GLN A 38 11.601 -0.463 -6.810 1.00 2.85 O ATOM 176 NE2 GLN A 38 10.213 1.229 -7.034 1.00 0.74 N ATOM 0 H GLN A 38 7.938 -0.665 -5.707 1.00 0.38 H new ATOM 0 HA GLN A 38 7.354 0.267 -8.292 1.00 0.39 H new ATOM 0 HB2 GLN A 38 8.805 -1.982 -6.945 1.00 0.47 H new ATOM 0 HB3 GLN A 38 8.327 -2.295 -8.602 1.00 0.47 H new ATOM 0 HG2 GLN A 38 10.470 -1.504 -8.845 1.00 0.70 H new ATOM 0 HG3 GLN A 38 9.503 -0.081 -9.174 1.00 0.70 H new ATOM 0 HE21 GLN A 38 9.379 1.625 -7.467 1.00 0.74 H new ATOM 0 HE22 GLN A 38 10.752 1.781 -6.366 1.00 0.74 H new ATOM 185 N ILE A 39 5.328 -2.105 -7.302 1.00 0.34 N ATOM 186 CA ILE A 39 4.040 -2.768 -7.608 1.00 0.34 C ATOM 187 C ILE A 39 2.841 -1.842 -7.325 1.00 0.35 C ATOM 188 O ILE A 39 1.824 -1.915 -8.019 1.00 0.31 O ATOM 189 CB ILE A 39 3.920 -4.110 -6.847 1.00 0.37 C ATOM 190 CG1 ILE A 39 5.095 -5.064 -7.167 1.00 0.30 C ATOM 191 CG2 ILE A 39 2.595 -4.799 -7.224 1.00 0.46 C ATOM 192 CD1 ILE A 39 5.199 -6.251 -6.201 1.00 0.52 C ATOM 0 H ILE A 39 5.629 -2.244 -6.337 1.00 0.34 H new ATOM 0 HA ILE A 39 4.023 -2.988 -8.676 1.00 0.34 H new ATOM 0 HB ILE A 39 3.946 -3.888 -5.780 1.00 0.37 H new ATOM 0 HG12 ILE A 39 4.980 -5.441 -8.183 1.00 0.30 H new ATOM 0 HG13 ILE A 39 6.028 -4.501 -7.140 1.00 0.30 H new ATOM 0 HG21 ILE A 39 2.511 -5.744 -6.688 1.00 0.46 H new ATOM 0 HG22 ILE A 39 1.759 -4.153 -6.954 1.00 0.46 H new ATOM 0 HG23 ILE A 39 2.576 -4.988 -8.297 1.00 0.46 H new ATOM 0 HD11 ILE A 39 6.044 -6.878 -6.485 1.00 0.52 H new ATOM 0 HD12 ILE A 39 5.345 -5.882 -5.186 1.00 0.52 H new ATOM 0 HD13 ILE A 39 4.281 -6.837 -6.245 1.00 0.52 H new ATOM 204 N LEU A 40 2.942 -0.910 -6.371 1.00 0.40 N ATOM 205 CA LEU A 40 1.900 0.099 -6.154 1.00 0.38 C ATOM 206 C LEU A 40 1.608 0.931 -7.411 1.00 0.35 C ATOM 207 O LEU A 40 0.446 1.208 -7.696 1.00 0.33 O ATOM 208 CB LEU A 40 2.268 1.009 -4.968 1.00 0.49 C ATOM 209 CG LEU A 40 2.061 0.376 -3.581 1.00 0.58 C ATOM 210 CD1 LEU A 40 2.181 1.472 -2.527 1.00 0.77 C ATOM 211 CD2 LEU A 40 0.730 -0.357 -3.387 1.00 0.43 C ATOM 0 H LEU A 40 3.736 -0.834 -5.736 1.00 0.40 H new ATOM 0 HA LEU A 40 0.982 -0.439 -5.917 1.00 0.38 H new ATOM 0 HB2 LEU A 40 3.313 1.304 -5.065 1.00 0.49 H new ATOM 0 HB3 LEU A 40 1.673 1.920 -5.029 1.00 0.49 H new ATOM 0 HG LEU A 40 2.831 -0.389 -3.483 1.00 0.58 H new ATOM 0 HD11 LEU A 40 2.037 1.041 -1.536 1.00 0.77 H new ATOM 0 HD12 LEU A 40 3.170 1.926 -2.585 1.00 0.77 H new ATOM 0 HD13 LEU A 40 1.422 2.233 -2.706 1.00 0.77 H new ATOM 0 HD21 LEU A 40 0.684 -0.766 -2.378 1.00 0.43 H new ATOM 0 HD22 LEU A 40 -0.094 0.341 -3.534 1.00 0.43 H new ATOM 0 HD23 LEU A 40 0.652 -1.168 -4.111 1.00 0.43 H new ATOM 223 N LYS A 41 2.633 1.247 -8.208 1.00 0.36 N ATOM 224 CA LYS A 41 2.493 1.990 -9.482 1.00 0.41 C ATOM 225 C LYS A 41 1.685 1.278 -10.556 1.00 0.40 C ATOM 226 O LYS A 41 1.269 1.896 -11.534 1.00 0.59 O ATOM 227 CB LYS A 41 3.856 2.367 -10.071 1.00 0.48 C ATOM 228 CG LYS A 41 4.648 3.121 -9.014 1.00 0.59 C ATOM 229 CD LYS A 41 5.521 4.238 -9.580 1.00 0.85 C ATOM 230 CE LYS A 41 6.217 4.877 -8.382 1.00 1.18 C ATOM 231 NZ LYS A 41 6.929 6.120 -8.755 1.00 1.65 N ATOM 0 H LYS A 41 3.598 0.995 -7.992 1.00 0.36 H new ATOM 0 HA LYS A 41 1.935 2.882 -9.198 1.00 0.41 H new ATOM 0 HB2 LYS A 41 4.395 1.472 -10.381 1.00 0.48 H new ATOM 0 HB3 LYS A 41 3.727 2.985 -10.960 1.00 0.48 H new ATOM 0 HG2 LYS A 41 3.955 3.546 -8.288 1.00 0.59 H new ATOM 0 HG3 LYS A 41 5.281 2.416 -8.475 1.00 0.59 H new ATOM 0 HD2 LYS A 41 6.249 3.843 -10.289 1.00 0.85 H new ATOM 0 HD3 LYS A 41 4.918 4.970 -10.117 1.00 0.85 H new ATOM 0 HE2 LYS A 41 5.480 5.099 -7.610 1.00 1.18 H new ATOM 0 HE3 LYS A 41 6.925 4.168 -7.953 1.00 1.18 H new ATOM 0 HZ1 LYS A 41 7.388 6.523 -7.913 1.00 1.65 H new ATOM 0 HZ2 LYS A 41 7.650 5.905 -9.473 1.00 1.65 H new ATOM 0 HZ3 LYS A 41 6.250 6.807 -9.141 1.00 1.65 H new ATOM 245 N GLU A 42 1.497 -0.024 -10.404 1.00 0.33 N ATOM 246 CA GLU A 42 0.909 -0.905 -11.363 1.00 0.32 C ATOM 247 C GLU A 42 -0.494 -1.348 -10.999 1.00 0.31 C ATOM 248 O GLU A 42 -1.357 -1.414 -11.885 1.00 0.35 O ATOM 249 CB GLU A 42 1.824 -2.091 -11.370 1.00 0.31 C ATOM 250 CG GLU A 42 3.169 -1.889 -12.030 1.00 0.43 C ATOM 251 CD GLU A 42 4.073 -3.128 -12.113 1.00 0.91 C ATOM 252 OE1 GLU A 42 3.679 -4.263 -11.738 1.00 1.94 O ATOM 253 OE2 GLU A 42 5.217 -2.966 -12.605 1.00 1.85 O ATOM 0 H GLU A 42 1.773 -0.509 -9.550 1.00 0.33 H new ATOM 0 HA GLU A 42 0.806 -0.408 -12.327 1.00 0.32 H new ATOM 0 HB2 GLU A 42 1.991 -2.402 -10.339 1.00 0.31 H new ATOM 0 HB3 GLU A 42 1.315 -2.914 -11.872 1.00 0.31 H new ATOM 0 HG2 GLU A 42 3.003 -1.517 -13.041 1.00 0.43 H new ATOM 0 HG3 GLU A 42 3.704 -1.110 -11.487 1.00 0.43 H new ATOM 260 N LYS A 43 -0.743 -1.586 -9.703 1.00 0.27 N ATOM 261 CA LYS A 43 -2.109 -1.737 -9.232 1.00 0.26 C ATOM 262 C LYS A 43 -2.820 -0.392 -9.099 1.00 0.25 C ATOM 263 O LYS A 43 -4.046 -0.348 -9.191 1.00 0.32 O ATOM 264 CB LYS A 43 -2.205 -2.560 -7.937 1.00 0.24 C ATOM 265 CG LYS A 43 -1.659 -3.988 -7.951 1.00 0.34 C ATOM 266 CD LYS A 43 -2.285 -4.829 -9.067 1.00 0.53 C ATOM 267 CE LYS A 43 -1.563 -6.166 -9.225 1.00 0.77 C ATOM 268 NZ LYS A 43 -2.101 -6.931 -10.372 1.00 1.23 N ATOM 0 H LYS A 43 -0.026 -1.675 -8.983 1.00 0.27 H new ATOM 0 HA LYS A 43 -2.632 -2.307 -10.000 1.00 0.26 H new ATOM 0 HB2 LYS A 43 -1.683 -2.011 -7.153 1.00 0.24 H new ATOM 0 HB3 LYS A 43 -3.255 -2.607 -7.648 1.00 0.24 H new ATOM 0 HG2 LYS A 43 -0.577 -3.961 -8.080 1.00 0.34 H new ATOM 0 HG3 LYS A 43 -1.854 -4.460 -6.988 1.00 0.34 H new ATOM 0 HD2 LYS A 43 -3.338 -5.005 -8.846 1.00 0.53 H new ATOM 0 HD3 LYS A 43 -2.245 -4.278 -10.007 1.00 0.53 H new ATOM 0 HE2 LYS A 43 -0.497 -5.992 -9.368 1.00 0.77 H new ATOM 0 HE3 LYS A 43 -1.671 -6.751 -8.312 1.00 0.77 H new ATOM 0 HZ1 LYS A 43 -1.593 -7.834 -10.456 1.00 1.23 H new ATOM 0 HZ2 LYS A 43 -3.113 -7.116 -10.222 1.00 1.23 H new ATOM 0 HZ3 LYS A 43 -1.976 -6.381 -11.246 1.00 1.23 H new ATOM 282 N PHE A 44 -2.062 0.702 -8.937 1.00 0.22 N ATOM 283 CA PHE A 44 -2.618 2.047 -8.784 1.00 0.23 C ATOM 284 C PHE A 44 -1.982 3.186 -9.613 1.00 0.28 C ATOM 285 O PHE A 44 -1.722 4.264 -9.081 1.00 0.29 O ATOM 286 CB PHE A 44 -2.755 2.380 -7.281 1.00 0.20 C ATOM 287 CG PHE A 44 -3.350 1.281 -6.415 1.00 0.20 C ATOM 288 CD1 PHE A 44 -4.745 1.106 -6.381 1.00 1.47 C ATOM 289 CD2 PHE A 44 -2.521 0.406 -5.682 1.00 1.52 C ATOM 290 CE1 PHE A 44 -5.306 0.050 -5.643 1.00 1.45 C ATOM 291 CE2 PHE A 44 -3.080 -0.655 -4.947 1.00 1.55 C ATOM 292 CZ PHE A 44 -4.474 -0.834 -4.936 1.00 0.28 C ATOM 0 H PHE A 44 -1.043 0.675 -8.909 1.00 0.22 H new ATOM 0 HA PHE A 44 -3.603 2.000 -9.249 1.00 0.23 H new ATOM 0 HB2 PHE A 44 -1.768 2.630 -6.892 1.00 0.20 H new ATOM 0 HB3 PHE A 44 -3.373 3.272 -7.180 1.00 0.20 H new ATOM 0 HD1 PHE A 44 -5.387 1.785 -6.923 1.00 1.47 H new ATOM 0 HD2 PHE A 44 -1.451 0.552 -5.685 1.00 1.52 H new ATOM 0 HE1 PHE A 44 -6.378 -0.082 -5.619 1.00 1.45 H new ATOM 0 HE2 PHE A 44 -2.442 -1.328 -4.394 1.00 1.55 H new ATOM 0 HZ PHE A 44 -4.907 -1.654 -4.382 1.00 0.28 H new ATOM 302 N PRO A 45 -1.847 3.037 -10.945 1.00 0.37 N ATOM 303 CA PRO A 45 -1.526 4.146 -11.861 1.00 0.47 C ATOM 304 C PRO A 45 -2.578 5.249 -11.874 1.00 0.55 C ATOM 305 O PRO A 45 -2.268 6.413 -12.142 1.00 0.74 O ATOM 306 CB PRO A 45 -1.357 3.505 -13.241 1.00 0.54 C ATOM 307 CG PRO A 45 -2.179 2.219 -13.156 1.00 0.48 C ATOM 308 CD PRO A 45 -2.043 1.812 -11.696 1.00 0.37 C ATOM 0 HA PRO A 45 -0.619 4.655 -11.533 1.00 0.47 H new ATOM 0 HB2 PRO A 45 -1.722 4.160 -14.032 1.00 0.54 H new ATOM 0 HB3 PRO A 45 -0.310 3.295 -13.458 1.00 0.54 H new ATOM 0 HG2 PRO A 45 -3.220 2.388 -13.431 1.00 0.48 H new ATOM 0 HG3 PRO A 45 -1.793 1.450 -13.825 1.00 0.48 H new ATOM 0 HD2 PRO A 45 -2.935 1.286 -11.355 1.00 0.37 H new ATOM 0 HD3 PRO A 45 -1.201 1.134 -11.559 1.00 0.37 H new ATOM 316 N ARG A 46 -3.805 4.914 -11.478 1.00 0.54 N ATOM 317 CA ARG A 46 -4.884 5.883 -11.321 1.00 0.73 C ATOM 318 C ARG A 46 -4.688 6.876 -10.174 1.00 0.54 C ATOM 319 O ARG A 46 -5.412 7.870 -10.106 1.00 0.68 O ATOM 320 CB ARG A 46 -6.192 5.139 -11.126 1.00 1.14 C ATOM 321 CG ARG A 46 -6.560 4.532 -12.467 1.00 1.19 C ATOM 322 CD ARG A 46 -7.996 4.083 -12.437 1.00 3.12 C ATOM 323 NE ARG A 46 -8.182 2.853 -11.644 1.00 4.72 N ATOM 324 CZ ARG A 46 -8.962 1.840 -11.964 1.00 6.07 C ATOM 325 NH1 ARG A 46 -9.753 1.883 -12.990 1.00 6.39 N ATOM 326 NH2 ARG A 46 -8.968 0.755 -11.252 1.00 7.53 N ATOM 0 H ARG A 46 -4.078 3.957 -11.256 1.00 0.54 H new ATOM 0 HA ARG A 46 -4.891 6.481 -12.232 1.00 0.73 H new ATOM 0 HB2 ARG A 46 -6.085 4.363 -10.368 1.00 1.14 H new ATOM 0 HB3 ARG A 46 -6.973 5.816 -10.782 1.00 1.14 H new ATOM 0 HG2 ARG A 46 -6.413 5.263 -13.262 1.00 1.19 H new ATOM 0 HG3 ARG A 46 -5.908 3.687 -12.687 1.00 1.19 H new ATOM 0 HD2 ARG A 46 -8.614 4.878 -12.020 1.00 3.12 H new ATOM 0 HD3 ARG A 46 -8.342 3.911 -13.456 1.00 3.12 H new ATOM 0 HE ARG A 46 -7.661 2.780 -10.770 1.00 4.72 H new ATOM 0 HH11 ARG A 46 -9.784 2.718 -13.576 1.00 6.39 H new ATOM 0 HH12 ARG A 46 -10.345 1.082 -13.212 1.00 6.39 H new ATOM 0 HH21 ARG A 46 -8.364 0.679 -10.434 1.00 7.53 H new ATOM 0 HH22 ARG A 46 -9.577 -0.022 -11.511 1.00 7.53 H new ATOM 340 N ALA A 47 -3.757 6.589 -9.264 1.00 0.34 N ATOM 341 CA ALA A 47 -3.675 7.251 -7.977 1.00 0.30 C ATOM 342 C ALA A 47 -3.166 8.697 -8.038 1.00 0.32 C ATOM 343 O ALA A 47 -2.261 9.038 -8.808 1.00 0.48 O ATOM 344 CB ALA A 47 -2.820 6.403 -7.036 1.00 0.37 C ATOM 0 H ALA A 47 -3.035 5.883 -9.408 1.00 0.34 H new ATOM 0 HA ALA A 47 -4.693 7.335 -7.597 1.00 0.30 H new ATOM 0 HB1 ALA A 47 -2.752 6.893 -6.065 1.00 0.37 H new ATOM 0 HB2 ALA A 47 -3.276 5.421 -6.916 1.00 0.37 H new ATOM 0 HB3 ALA A 47 -1.820 6.290 -7.455 1.00 0.37 H new ATOM 350 N THR A 48 -3.718 9.532 -7.158 1.00 0.25 N ATOM 351 CA THR A 48 -3.285 10.926 -6.964 1.00 0.26 C ATOM 352 C THR A 48 -2.299 11.079 -5.799 1.00 0.31 C ATOM 353 O THR A 48 -1.517 12.034 -5.790 1.00 0.51 O ATOM 354 CB THR A 48 -4.485 11.871 -6.835 1.00 0.36 C ATOM 355 OG1 THR A 48 -5.221 11.575 -5.678 1.00 0.47 O ATOM 356 CG2 THR A 48 -5.424 11.754 -8.035 1.00 0.49 C ATOM 0 H THR A 48 -4.490 9.261 -6.549 1.00 0.25 H new ATOM 0 HA THR A 48 -2.738 11.216 -7.861 1.00 0.26 H new ATOM 0 HB THR A 48 -4.086 12.884 -6.785 1.00 0.36 H new ATOM 0 HG1 THR A 48 -5.983 12.188 -5.609 1.00 0.47 H new ATOM 0 HG21 THR A 48 -6.263 12.438 -7.909 1.00 0.49 H new ATOM 0 HG22 THR A 48 -4.883 12.008 -8.947 1.00 0.49 H new ATOM 0 HG23 THR A 48 -5.797 10.732 -8.107 1.00 0.49 H new ATOM 364 N ALA A 49 -2.250 10.110 -4.875 1.00 0.24 N ATOM 365 CA ALA A 49 -1.113 9.883 -3.979 1.00 0.25 C ATOM 366 C ALA A 49 -0.677 8.403 -3.963 1.00 0.22 C ATOM 367 O ALA A 49 -1.536 7.525 -4.003 1.00 0.21 O ATOM 368 CB ALA A 49 -1.490 10.386 -2.583 1.00 0.32 C ATOM 0 H ALA A 49 -3.015 9.451 -4.728 1.00 0.24 H new ATOM 0 HA ALA A 49 -0.249 10.439 -4.342 1.00 0.25 H new ATOM 0 HB1 ALA A 49 -0.655 10.225 -1.901 1.00 0.32 H new ATOM 0 HB2 ALA A 49 -1.721 11.450 -2.630 1.00 0.32 H new ATOM 0 HB3 ALA A 49 -2.363 9.841 -2.223 1.00 0.32 H new ATOM 374 N ILE A 50 0.636 8.134 -3.891 1.00 0.25 N ATOM 375 CA ILE A 50 1.257 6.802 -3.710 1.00 0.24 C ATOM 376 C ILE A 50 2.656 6.917 -3.084 1.00 0.26 C ATOM 377 O ILE A 50 3.609 7.378 -3.722 1.00 0.32 O ATOM 378 CB ILE A 50 1.377 5.982 -5.030 1.00 0.28 C ATOM 379 CG1 ILE A 50 1.566 6.856 -6.295 1.00 0.35 C ATOM 380 CG2 ILE A 50 0.199 5.010 -5.178 1.00 0.27 C ATOM 381 CD1 ILE A 50 1.959 6.061 -7.547 1.00 0.47 C ATOM 0 H ILE A 50 1.334 8.875 -3.961 1.00 0.25 H new ATOM 0 HA ILE A 50 0.581 6.269 -3.041 1.00 0.24 H new ATOM 0 HB ILE A 50 2.296 5.401 -4.946 1.00 0.28 H new ATOM 0 HG12 ILE A 50 0.639 7.394 -6.494 1.00 0.35 H new ATOM 0 HG13 ILE A 50 2.333 7.604 -6.096 1.00 0.35 H new ATOM 0 HG21 ILE A 50 0.305 4.449 -6.107 1.00 0.27 H new ATOM 0 HG22 ILE A 50 0.190 4.319 -4.335 1.00 0.27 H new ATOM 0 HG23 ILE A 50 -0.735 5.571 -5.197 1.00 0.27 H new ATOM 0 HD11 ILE A 50 2.073 6.743 -8.390 1.00 0.47 H new ATOM 0 HD12 ILE A 50 2.902 5.544 -7.369 1.00 0.47 H new ATOM 0 HD13 ILE A 50 1.182 5.331 -7.773 1.00 0.47 H new ATOM 393 N LYS A 51 2.803 6.459 -1.836 1.00 0.24 N ATOM 394 CA LYS A 51 4.054 6.511 -1.058 1.00 0.29 C ATOM 395 C LYS A 51 4.131 5.413 0.017 1.00 0.29 C ATOM 396 O LYS A 51 3.102 4.976 0.538 1.00 0.31 O ATOM 397 CB LYS A 51 4.200 7.925 -0.479 1.00 0.37 C ATOM 398 CG LYS A 51 3.080 8.300 0.504 1.00 0.41 C ATOM 399 CD LYS A 51 2.948 9.815 0.675 1.00 0.62 C ATOM 400 CE LYS A 51 2.102 10.408 -0.461 1.00 0.87 C ATOM 401 NZ LYS A 51 2.003 11.884 -0.362 1.00 1.17 N ATOM 0 H LYS A 51 2.035 6.029 -1.321 1.00 0.24 H new ATOM 0 HA LYS A 51 4.898 6.304 -1.716 1.00 0.29 H new ATOM 0 HB2 LYS A 51 5.161 8.004 0.029 1.00 0.37 H new ATOM 0 HB3 LYS A 51 4.212 8.645 -1.297 1.00 0.37 H new ATOM 0 HG2 LYS A 51 2.134 7.892 0.148 1.00 0.41 H new ATOM 0 HG3 LYS A 51 3.280 7.842 1.473 1.00 0.41 H new ATOM 0 HD2 LYS A 51 2.487 10.040 1.637 1.00 0.62 H new ATOM 0 HD3 LYS A 51 3.936 10.275 0.680 1.00 0.62 H new ATOM 0 HE2 LYS A 51 2.542 10.137 -1.421 1.00 0.87 H new ATOM 0 HE3 LYS A 51 1.102 9.974 -0.434 1.00 0.87 H new ATOM 0 HZ1 LYS A 51 1.424 12.246 -1.146 1.00 1.17 H new ATOM 0 HZ2 LYS A 51 1.561 12.142 0.543 1.00 1.17 H new ATOM 0 HZ3 LYS A 51 2.955 12.300 -0.413 1.00 1.17 H new ATOM 415 N VAL A 52 5.349 4.964 0.339 1.00 0.29 N ATOM 416 CA VAL A 52 5.643 3.829 1.243 1.00 0.26 C ATOM 417 C VAL A 52 6.719 4.222 2.269 1.00 0.26 C ATOM 418 O VAL A 52 7.665 4.945 1.938 1.00 0.35 O ATOM 419 CB VAL A 52 6.102 2.582 0.438 1.00 0.30 C ATOM 420 CG1 VAL A 52 6.193 1.316 1.300 1.00 0.33 C ATOM 421 CG2 VAL A 52 5.209 2.248 -0.772 1.00 0.37 C ATOM 0 H VAL A 52 6.196 5.393 -0.034 1.00 0.29 H new ATOM 0 HA VAL A 52 4.726 3.576 1.775 1.00 0.26 H new ATOM 0 HB VAL A 52 7.090 2.872 0.081 1.00 0.30 H new ATOM 0 HG11 VAL A 52 6.518 0.478 0.683 1.00 0.33 H new ATOM 0 HG12 VAL A 52 6.911 1.474 2.105 1.00 0.33 H new ATOM 0 HG13 VAL A 52 5.214 1.095 1.726 1.00 0.33 H new ATOM 0 HG21 VAL A 52 5.598 1.365 -1.279 1.00 0.37 H new ATOM 0 HG22 VAL A 52 4.193 2.052 -0.431 1.00 0.37 H new ATOM 0 HG23 VAL A 52 5.203 3.090 -1.464 1.00 0.37 H new ATOM 431 N THR A 53 6.595 3.732 3.509 1.00 0.21 N ATOM 432 CA THR A 53 7.603 3.873 4.574 1.00 0.20 C ATOM 433 C THR A 53 7.830 2.572 5.321 1.00 0.19 C ATOM 434 O THR A 53 6.873 1.974 5.785 1.00 0.25 O ATOM 435 CB THR A 53 7.164 4.959 5.575 1.00 0.26 C ATOM 436 OG1 THR A 53 6.956 6.177 4.900 1.00 0.34 O ATOM 437 CG2 THR A 53 8.187 5.251 6.663 1.00 0.32 C ATOM 0 H THR A 53 5.770 3.213 3.810 1.00 0.21 H new ATOM 0 HA THR A 53 8.540 4.157 4.095 1.00 0.20 H new ATOM 0 HB THR A 53 6.259 4.565 6.038 1.00 0.26 H new ATOM 0 HG1 THR A 53 6.676 6.863 5.541 1.00 0.34 H new ATOM 0 HG21 THR A 53 7.802 6.026 7.326 1.00 0.32 H new ATOM 0 HG22 THR A 53 8.377 4.344 7.237 1.00 0.32 H new ATOM 0 HG23 THR A 53 9.116 5.593 6.207 1.00 0.32 H new ATOM 445 N ASP A 54 9.082 2.152 5.478 1.00 0.25 N ATOM 446 CA ASP A 54 9.473 1.034 6.347 1.00 0.22 C ATOM 447 C ASP A 54 9.517 1.484 7.812 1.00 0.26 C ATOM 448 O ASP A 54 10.131 2.499 8.160 1.00 0.35 O ATOM 449 CB ASP A 54 10.865 0.521 5.905 1.00 0.26 C ATOM 450 CG ASP A 54 11.579 -0.305 6.992 1.00 0.46 C ATOM 451 OD1 ASP A 54 10.952 -1.230 7.546 1.00 1.54 O ATOM 452 OD2 ASP A 54 12.742 0.021 7.338 1.00 1.76 O ATOM 0 H ASP A 54 9.872 2.584 4.998 1.00 0.25 H new ATOM 0 HA ASP A 54 8.739 0.232 6.260 1.00 0.22 H new ATOM 0 HB2 ASP A 54 10.753 -0.089 5.009 1.00 0.26 H new ATOM 0 HB3 ASP A 54 11.490 1.372 5.635 1.00 0.26 H new ATOM 457 N ILE A 55 8.907 0.677 8.674 1.00 0.30 N ATOM 458 CA ILE A 55 8.823 0.876 10.128 1.00 0.40 C ATOM 459 C ILE A 55 9.227 -0.401 10.892 1.00 0.48 C ATOM 460 O ILE A 55 8.758 -0.663 12.001 1.00 0.57 O ATOM 461 CB ILE A 55 7.448 1.484 10.505 1.00 0.43 C ATOM 462 CG1 ILE A 55 6.256 0.598 10.066 1.00 0.38 C ATOM 463 CG2 ILE A 55 7.358 2.909 9.932 1.00 0.47 C ATOM 464 CD1 ILE A 55 4.892 1.299 9.979 1.00 0.38 C ATOM 0 H ILE A 55 8.434 -0.174 8.370 1.00 0.30 H new ATOM 0 HA ILE A 55 9.557 1.614 10.452 1.00 0.40 H new ATOM 0 HB ILE A 55 7.377 1.530 11.592 1.00 0.43 H new ATOM 0 HG12 ILE A 55 6.486 0.172 9.090 1.00 0.38 H new ATOM 0 HG13 ILE A 55 6.171 -0.234 10.765 1.00 0.38 H new ATOM 0 HG21 ILE A 55 6.394 3.345 10.192 1.00 0.47 H new ATOM 0 HG22 ILE A 55 8.158 3.520 10.350 1.00 0.47 H new ATOM 0 HG23 ILE A 55 7.459 2.872 8.847 1.00 0.47 H new ATOM 0 HD11 ILE A 55 4.134 0.582 9.663 1.00 0.38 H new ATOM 0 HD12 ILE A 55 4.626 1.700 10.957 1.00 0.38 H new ATOM 0 HD13 ILE A 55 4.946 2.112 9.256 1.00 0.38 H new ATOM 476 N SER A 56 10.096 -1.206 10.267 1.00 0.48 N ATOM 477 CA SER A 56 10.602 -2.502 10.724 1.00 0.55 C ATOM 478 C SER A 56 12.104 -2.641 10.430 1.00 0.58 C ATOM 479 O SER A 56 12.557 -3.513 9.692 1.00 0.61 O ATOM 480 CB SER A 56 9.714 -3.589 10.127 1.00 0.55 C ATOM 481 OG SER A 56 10.069 -4.902 10.507 1.00 1.32 O ATOM 0 H SER A 56 10.491 -0.947 9.363 1.00 0.48 H new ATOM 0 HA SER A 56 10.542 -2.601 11.808 1.00 0.55 H new ATOM 0 HB2 SER A 56 8.682 -3.403 10.425 1.00 0.55 H new ATOM 0 HB3 SER A 56 9.750 -3.515 9.040 1.00 0.55 H new ATOM 0 HG SER A 56 9.274 -5.376 10.829 1.00 1.32 H new ATOM 487 N GLY A 57 12.926 -1.794 11.049 1.00 0.68 N ATOM 488 CA GLY A 57 14.380 -1.732 10.844 1.00 0.78 C ATOM 489 C GLY A 57 15.191 -2.996 11.186 1.00 0.89 C ATOM 490 O GLY A 57 16.382 -3.057 10.862 1.00 1.19 O ATOM 0 H GLY A 57 12.592 -1.110 11.728 1.00 0.68 H new ATOM 0 HA2 GLY A 57 14.564 -1.485 9.799 1.00 0.78 H new ATOM 0 HA3 GLY A 57 14.771 -0.908 11.440 1.00 0.78 H new ATOM 494 N GLY A 58 14.568 -3.997 11.814 1.00 0.80 N ATOM 495 CA GLY A 58 15.163 -5.283 12.210 1.00 0.92 C ATOM 496 C GLY A 58 14.572 -6.522 11.518 1.00 0.89 C ATOM 497 O GLY A 58 14.943 -7.647 11.868 1.00 1.06 O ATOM 0 H GLY A 58 13.584 -3.932 12.075 1.00 0.80 H new ATOM 0 HA2 GLY A 58 16.233 -5.248 12.004 1.00 0.92 H new ATOM 0 HA3 GLY A 58 15.049 -5.400 13.288 1.00 0.92 H new ATOM 501 N CYS A 59 13.639 -6.346 10.576 1.00 0.81 N ATOM 502 CA CYS A 59 12.931 -7.437 9.881 1.00 0.85 C ATOM 503 C CYS A 59 12.397 -7.025 8.498 1.00 0.78 C ATOM 504 O CYS A 59 12.411 -7.806 7.543 1.00 0.95 O ATOM 505 CB CYS A 59 11.757 -7.858 10.779 1.00 0.96 C ATOM 506 SG CYS A 59 10.938 -9.352 10.160 1.00 1.99 S ATOM 0 H CYS A 59 13.345 -5.420 10.265 1.00 0.81 H new ATOM 0 HA CYS A 59 13.632 -8.253 9.707 1.00 0.85 H new ATOM 0 HB2 CYS A 59 12.119 -8.035 11.792 1.00 0.96 H new ATOM 0 HB3 CYS A 59 11.034 -7.045 10.837 1.00 0.96 H new ATOM 0 HG CYS A 59 9.956 -9.668 10.952 1.00 1.99 H new ATOM 512 N GLY A 60 11.903 -5.794 8.389 1.00 0.62 N ATOM 513 CA GLY A 60 11.152 -5.245 7.265 1.00 0.57 C ATOM 514 C GLY A 60 9.797 -5.927 7.035 1.00 0.60 C ATOM 515 O GLY A 60 9.397 -6.143 5.887 1.00 0.69 O ATOM 0 H GLY A 60 12.026 -5.108 9.134 1.00 0.62 H new ATOM 0 HA2 GLY A 60 10.989 -4.181 7.434 1.00 0.57 H new ATOM 0 HA3 GLY A 60 11.752 -5.336 6.360 1.00 0.57 H new ATOM 519 N ALA A 61 9.110 -6.316 8.115 1.00 0.65 N ATOM 520 CA ALA A 61 7.743 -6.851 8.075 1.00 0.71 C ATOM 521 C ALA A 61 6.644 -5.767 8.078 1.00 0.67 C ATOM 522 O ALA A 61 5.533 -6.030 7.624 1.00 0.88 O ATOM 523 CB ALA A 61 7.568 -7.811 9.257 1.00 0.86 C ATOM 0 H ALA A 61 9.495 -6.267 9.058 1.00 0.65 H new ATOM 0 HA ALA A 61 7.619 -7.373 7.126 1.00 0.71 H new ATOM 0 HB1 ALA A 61 6.558 -8.221 9.247 1.00 0.86 H new ATOM 0 HB2 ALA A 61 8.290 -8.624 9.176 1.00 0.86 H new ATOM 0 HB3 ALA A 61 7.731 -7.272 10.190 1.00 0.86 H new ATOM 529 N MET A 62 6.931 -4.556 8.571 1.00 0.58 N ATOM 530 CA MET A 62 5.956 -3.467 8.702 1.00 0.46 C ATOM 531 C MET A 62 6.235 -2.288 7.784 1.00 0.37 C ATOM 532 O MET A 62 7.376 -1.835 7.681 1.00 0.39 O ATOM 533 CB MET A 62 5.904 -2.916 10.126 1.00 0.55 C ATOM 534 CG MET A 62 5.449 -3.923 11.167 1.00 0.86 C ATOM 535 SD MET A 62 6.687 -4.454 12.376 1.00 1.85 S ATOM 536 CE MET A 62 6.487 -3.049 13.494 1.00 1.14 C ATOM 0 H MET A 62 7.864 -4.301 8.896 1.00 0.58 H new ATOM 0 HA MET A 62 5.008 -3.926 8.424 1.00 0.46 H new ATOM 0 HB2 MET A 62 6.894 -2.551 10.399 1.00 0.55 H new ATOM 0 HB3 MET A 62 5.231 -2.059 10.148 1.00 0.55 H new ATOM 0 HG2 MET A 62 4.605 -3.495 11.709 1.00 0.86 H new ATOM 0 HG3 MET A 62 5.079 -4.807 10.647 1.00 0.86 H new ATOM 0 HE1 MET A 62 7.166 -3.157 14.340 1.00 1.14 H new ATOM 0 HE2 MET A 62 6.714 -2.125 12.962 1.00 1.14 H new ATOM 0 HE3 MET A 62 5.459 -3.016 13.856 1.00 1.14 H new ATOM 546 N TYR A 63 5.160 -1.728 7.227 1.00 0.29 N ATOM 547 CA TYR A 63 5.211 -0.503 6.439 1.00 0.24 C ATOM 548 C TYR A 63 3.988 0.397 6.645 1.00 0.23 C ATOM 549 O TYR A 63 2.851 -0.058 6.748 1.00 0.27 O ATOM 550 CB TYR A 63 5.335 -0.826 4.950 1.00 0.33 C ATOM 551 CG TYR A 63 6.544 -1.641 4.535 1.00 0.38 C ATOM 552 CD1 TYR A 63 6.461 -3.039 4.647 1.00 1.74 C ATOM 553 CD2 TYR A 63 7.748 -1.051 4.103 1.00 1.87 C ATOM 554 CE1 TYR A 63 7.566 -3.857 4.399 1.00 1.78 C ATOM 555 CE2 TYR A 63 8.879 -1.862 3.893 1.00 1.85 C ATOM 556 CZ TYR A 63 8.800 -3.264 4.066 1.00 0.38 C ATOM 557 OH TYR A 63 9.904 -4.050 3.950 1.00 0.38 O ATOM 0 H TYR A 63 4.222 -2.119 7.313 1.00 0.29 H new ATOM 0 HA TYR A 63 6.089 0.040 6.788 1.00 0.24 H new ATOM 0 HB2 TYR A 63 4.438 -1.364 4.641 1.00 0.33 H new ATOM 0 HB3 TYR A 63 5.350 0.113 4.397 1.00 0.33 H new ATOM 0 HD1 TYR A 63 5.522 -3.491 4.931 1.00 1.74 H new ATOM 0 HD2 TYR A 63 7.803 0.014 3.934 1.00 1.87 H new ATOM 0 HE1 TYR A 63 7.475 -4.931 4.462 1.00 1.78 H new ATOM 0 HE2 TYR A 63 9.815 -1.411 3.597 1.00 1.85 H new ATOM 0 HH TYR A 63 9.829 -4.812 4.561 1.00 0.38 H new ATOM 567 N GLU A 64 4.227 1.699 6.605 1.00 0.24 N ATOM 568 CA GLU A 64 3.220 2.756 6.566 1.00 0.42 C ATOM 569 C GLU A 64 3.025 3.233 5.113 1.00 0.70 C ATOM 570 O GLU A 64 3.973 3.680 4.465 1.00 1.10 O ATOM 571 CB GLU A 64 3.636 3.860 7.556 1.00 0.83 C ATOM 572 CG GLU A 64 2.718 5.059 7.471 1.00 0.44 C ATOM 573 CD GLU A 64 2.925 6.074 8.606 1.00 1.06 C ATOM 574 OE1 GLU A 64 2.373 5.891 9.720 1.00 2.52 O ATOM 575 OE2 GLU A 64 3.612 7.097 8.366 1.00 1.19 O ATOM 0 H GLU A 64 5.177 2.069 6.598 1.00 0.24 H new ATOM 0 HA GLU A 64 2.241 2.401 6.887 1.00 0.42 H new ATOM 0 HB2 GLU A 64 3.624 3.463 8.571 1.00 0.83 H new ATOM 0 HB3 GLU A 64 4.660 4.170 7.347 1.00 0.83 H new ATOM 0 HG2 GLU A 64 2.874 5.559 6.515 1.00 0.44 H new ATOM 0 HG3 GLU A 64 1.684 4.716 7.486 1.00 0.44 H new ATOM 582 N ILE A 65 1.808 3.116 4.574 1.00 0.54 N ATOM 583 CA ILE A 65 1.519 3.189 3.128 1.00 0.47 C ATOM 584 C ILE A 65 0.343 4.135 2.881 1.00 0.33 C ATOM 585 O ILE A 65 -0.715 3.952 3.480 1.00 0.31 O ATOM 586 CB ILE A 65 1.181 1.777 2.589 1.00 0.55 C ATOM 587 CG1 ILE A 65 2.341 0.775 2.771 1.00 0.72 C ATOM 588 CG2 ILE A 65 0.772 1.838 1.100 1.00 0.53 C ATOM 589 CD1 ILE A 65 1.926 -0.693 2.635 1.00 1.00 C ATOM 0 H ILE A 65 0.973 2.964 5.139 1.00 0.54 H new ATOM 0 HA ILE A 65 2.397 3.569 2.607 1.00 0.47 H new ATOM 0 HB ILE A 65 0.340 1.417 3.182 1.00 0.55 H new ATOM 0 HG12 ILE A 65 3.114 0.993 2.034 1.00 0.72 H new ATOM 0 HG13 ILE A 65 2.786 0.926 3.754 1.00 0.72 H new ATOM 0 HG21 ILE A 65 0.540 0.834 0.745 1.00 0.53 H new ATOM 0 HG22 ILE A 65 -0.106 2.474 0.990 1.00 0.53 H new ATOM 0 HG23 ILE A 65 1.594 2.249 0.514 1.00 0.53 H new ATOM 0 HD11 ILE A 65 2.798 -1.332 2.776 1.00 1.00 H new ATOM 0 HD12 ILE A 65 1.176 -0.930 3.389 1.00 1.00 H new ATOM 0 HD13 ILE A 65 1.509 -0.863 1.642 1.00 1.00 H new ATOM 601 N LYS A 66 0.478 5.098 1.963 1.00 0.25 N ATOM 602 CA LYS A 66 -0.590 6.057 1.622 1.00 0.18 C ATOM 603 C LYS A 66 -0.870 6.038 0.127 1.00 0.17 C ATOM 604 O LYS A 66 0.051 6.196 -0.675 1.00 0.24 O ATOM 605 CB LYS A 66 -0.225 7.470 2.106 1.00 0.35 C ATOM 606 CG LYS A 66 -0.241 7.655 3.631 1.00 0.77 C ATOM 607 CD LYS A 66 0.731 8.769 4.039 1.00 1.26 C ATOM 608 CE LYS A 66 0.667 9.019 5.546 1.00 1.86 C ATOM 609 NZ LYS A 66 1.676 10.017 5.955 1.00 2.53 N ATOM 0 H LYS A 66 1.336 5.239 1.429 1.00 0.25 H new ATOM 0 HA LYS A 66 -1.503 5.756 2.135 1.00 0.18 H new ATOM 0 HB2 LYS A 66 0.769 7.720 1.735 1.00 0.35 H new ATOM 0 HB3 LYS A 66 -0.920 8.182 1.661 1.00 0.35 H new ATOM 0 HG2 LYS A 66 -1.249 7.902 3.964 1.00 0.77 H new ATOM 0 HG3 LYS A 66 0.037 6.722 4.121 1.00 0.77 H new ATOM 0 HD2 LYS A 66 1.747 8.494 3.754 1.00 1.26 H new ATOM 0 HD3 LYS A 66 0.486 9.686 3.503 1.00 1.26 H new ATOM 0 HE2 LYS A 66 -0.329 9.369 5.819 1.00 1.86 H new ATOM 0 HE3 LYS A 66 0.835 8.085 6.082 1.00 1.86 H new ATOM 0 HZ1 LYS A 66 1.615 10.172 6.982 1.00 2.53 H new ATOM 0 HZ2 LYS A 66 2.626 9.670 5.713 1.00 2.53 H new ATOM 0 HZ3 LYS A 66 1.498 10.914 5.459 1.00 2.53 H new ATOM 623 N ILE A 67 -2.138 5.823 -0.218 1.00 0.15 N ATOM 624 CA ILE A 67 -2.700 5.787 -1.563 1.00 0.16 C ATOM 625 C ILE A 67 -3.934 6.710 -1.610 1.00 0.20 C ATOM 626 O ILE A 67 -4.559 6.982 -0.586 1.00 0.24 O ATOM 627 CB ILE A 67 -3.027 4.345 -2.018 1.00 0.20 C ATOM 628 CG1 ILE A 67 -1.910 3.369 -1.577 1.00 0.20 C ATOM 629 CG2 ILE A 67 -3.246 4.311 -3.540 1.00 0.24 C ATOM 630 CD1 ILE A 67 -1.694 2.124 -2.432 1.00 0.25 C ATOM 0 H ILE A 67 -2.852 5.657 0.491 1.00 0.15 H new ATOM 0 HA ILE A 67 -1.957 6.153 -2.272 1.00 0.16 H new ATOM 0 HB ILE A 67 -3.950 4.019 -1.539 1.00 0.20 H new ATOM 0 HG12 ILE A 67 -0.972 3.923 -1.543 1.00 0.20 H new ATOM 0 HG13 ILE A 67 -2.126 3.046 -0.559 1.00 0.20 H new ATOM 0 HG21 ILE A 67 -3.476 3.292 -3.852 1.00 0.24 H new ATOM 0 HG22 ILE A 67 -4.076 4.967 -3.803 1.00 0.24 H new ATOM 0 HG23 ILE A 67 -2.342 4.650 -4.045 1.00 0.24 H new ATOM 0 HD11 ILE A 67 -0.883 1.529 -2.011 1.00 0.25 H new ATOM 0 HD12 ILE A 67 -2.608 1.531 -2.449 1.00 0.25 H new ATOM 0 HD13 ILE A 67 -1.436 2.421 -3.448 1.00 0.25 H new ATOM 642 N GLU A 68 -4.330 7.176 -2.787 1.00 0.22 N ATOM 643 CA GLU A 68 -5.598 7.870 -3.054 1.00 0.22 C ATOM 644 C GLU A 68 -5.920 7.727 -4.540 1.00 0.24 C ATOM 645 O GLU A 68 -5.035 7.969 -5.347 1.00 0.27 O ATOM 646 CB GLU A 68 -5.402 9.333 -2.661 1.00 0.25 C ATOM 647 CG GLU A 68 -6.604 10.242 -2.945 1.00 0.31 C ATOM 648 CD GLU A 68 -6.442 11.669 -2.402 1.00 0.40 C ATOM 649 OE1 GLU A 68 -7.473 12.372 -2.258 1.00 1.65 O ATOM 650 OE2 GLU A 68 -5.312 12.125 -2.110 1.00 1.62 O ATOM 0 H GLU A 68 -3.755 7.080 -3.624 1.00 0.22 H new ATOM 0 HA GLU A 68 -6.429 7.452 -2.485 1.00 0.22 H new ATOM 0 HB2 GLU A 68 -5.172 9.381 -1.597 1.00 0.25 H new ATOM 0 HB3 GLU A 68 -4.535 9.724 -3.193 1.00 0.25 H new ATOM 0 HG2 GLU A 68 -6.766 10.289 -4.022 1.00 0.31 H new ATOM 0 HG3 GLU A 68 -7.497 9.796 -2.507 1.00 0.31 H new ATOM 657 N SER A 69 -7.120 7.283 -4.931 1.00 0.26 N ATOM 658 CA SER A 69 -7.401 6.917 -6.332 1.00 0.32 C ATOM 659 C SER A 69 -8.879 6.842 -6.667 1.00 0.41 C ATOM 660 O SER A 69 -9.692 6.446 -5.839 1.00 0.37 O ATOM 661 CB SER A 69 -6.834 5.531 -6.631 1.00 0.33 C ATOM 662 OG SER A 69 -6.829 5.300 -8.022 1.00 0.39 O ATOM 0 H SER A 69 -7.914 7.167 -4.301 1.00 0.26 H new ATOM 0 HA SER A 69 -6.942 7.707 -6.926 1.00 0.32 H new ATOM 0 HB2 SER A 69 -5.821 5.451 -6.238 1.00 0.33 H new ATOM 0 HB3 SER A 69 -7.431 4.769 -6.130 1.00 0.33 H new ATOM 0 HG SER A 69 -6.620 4.359 -8.197 1.00 0.39 H new ATOM 668 N GLU A 70 -9.212 7.179 -7.913 1.00 0.55 N ATOM 669 CA GLU A 70 -10.581 7.327 -8.434 1.00 0.57 C ATOM 670 C GLU A 70 -11.439 6.044 -8.318 1.00 0.59 C ATOM 671 O GLU A 70 -12.666 6.088 -8.237 1.00 0.68 O ATOM 672 CB GLU A 70 -10.454 7.768 -9.903 1.00 0.79 C ATOM 673 CG GLU A 70 -11.483 8.815 -10.331 1.00 1.56 C ATOM 674 CD GLU A 70 -12.889 8.252 -10.569 1.00 3.01 C ATOM 675 OE1 GLU A 70 -13.088 7.402 -11.475 1.00 3.35 O ATOM 676 OE2 GLU A 70 -13.846 8.662 -9.875 1.00 4.55 O ATOM 0 H GLU A 70 -8.505 7.366 -8.624 1.00 0.55 H new ATOM 0 HA GLU A 70 -11.107 8.066 -7.830 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -9.454 8.169 -10.066 1.00 0.79 H new ATOM 0 HB3 GLU A 70 -10.554 6.892 -10.544 1.00 0.79 H new ATOM 0 HG2 GLU A 70 -11.538 9.589 -9.565 1.00 1.56 H new ATOM 0 HG3 GLU A 70 -11.137 9.296 -11.246 1.00 1.56 H new ATOM 683 N GLU A 71 -10.784 4.885 -8.266 1.00 0.58 N ATOM 684 CA GLU A 71 -11.401 3.561 -8.101 1.00 0.64 C ATOM 685 C GLU A 71 -11.928 3.259 -6.689 1.00 0.60 C ATOM 686 O GLU A 71 -12.699 2.311 -6.497 1.00 0.73 O ATOM 687 CB GLU A 71 -10.383 2.498 -8.516 1.00 0.68 C ATOM 688 CG GLU A 71 -9.236 2.344 -7.505 1.00 0.47 C ATOM 689 CD GLU A 71 -7.968 1.919 -8.254 1.00 0.45 C ATOM 690 OE1 GLU A 71 -7.123 2.784 -8.575 1.00 1.49 O ATOM 691 OE2 GLU A 71 -7.858 0.744 -8.668 1.00 1.80 O ATOM 0 H GLU A 71 -9.768 4.836 -8.340 1.00 0.58 H new ATOM 0 HA GLU A 71 -12.285 3.550 -8.738 1.00 0.64 H new ATOM 0 HB2 GLU A 71 -10.891 1.540 -8.631 1.00 0.68 H new ATOM 0 HB3 GLU A 71 -9.970 2.758 -9.490 1.00 0.68 H new ATOM 0 HG2 GLU A 71 -9.067 3.285 -6.981 1.00 0.47 H new ATOM 0 HG3 GLU A 71 -9.495 1.601 -6.751 1.00 0.47 H new ATOM 698 N PHE A 72 -11.509 4.031 -5.682 1.00 0.46 N ATOM 699 CA PHE A 72 -11.800 3.729 -4.283 1.00 0.44 C ATOM 700 C PHE A 72 -13.176 4.211 -3.800 1.00 0.47 C ATOM 701 O PHE A 72 -13.551 3.933 -2.662 1.00 0.56 O ATOM 702 CB PHE A 72 -10.653 4.280 -3.435 1.00 0.33 C ATOM 703 CG PHE A 72 -9.375 3.458 -3.398 1.00 0.28 C ATOM 704 CD1 PHE A 72 -9.396 2.055 -3.269 1.00 1.92 C ATOM 705 CD2 PHE A 72 -8.138 4.122 -3.462 1.00 1.98 C ATOM 706 CE1 PHE A 72 -8.195 1.330 -3.222 1.00 1.85 C ATOM 707 CE2 PHE A 72 -6.937 3.400 -3.409 1.00 2.04 C ATOM 708 CZ PHE A 72 -6.964 2.004 -3.293 1.00 0.27 C ATOM 0 H PHE A 72 -10.960 4.880 -5.816 1.00 0.46 H new ATOM 0 HA PHE A 72 -11.866 2.646 -4.174 1.00 0.44 H new ATOM 0 HB2 PHE A 72 -10.406 5.276 -3.802 1.00 0.33 H new ATOM 0 HB3 PHE A 72 -11.012 4.397 -2.412 1.00 0.33 H new ATOM 0 HD1 PHE A 72 -10.341 1.535 -3.206 1.00 1.92 H new ATOM 0 HD2 PHE A 72 -8.112 5.198 -3.553 1.00 1.98 H new ATOM 0 HE1 PHE A 72 -8.217 0.254 -3.131 1.00 1.85 H new ATOM 0 HE2 PHE A 72 -5.992 3.920 -3.458 1.00 2.04 H new ATOM 0 HZ PHE A 72 -6.040 1.446 -3.258 1.00 0.27 H new ATOM 718 N LYS A 73 -13.956 4.894 -4.647 1.00 0.50 N ATOM 719 CA LYS A 73 -15.273 5.435 -4.271 1.00 0.60 C ATOM 720 C LYS A 73 -16.335 4.356 -4.048 1.00 0.66 C ATOM 721 O LYS A 73 -17.107 4.421 -3.095 1.00 0.99 O ATOM 722 CB LYS A 73 -15.767 6.478 -5.294 1.00 0.69 C ATOM 723 CG LYS A 73 -15.847 5.904 -6.714 1.00 0.72 C ATOM 724 CD LYS A 73 -16.265 6.938 -7.752 1.00 1.13 C ATOM 725 CE LYS A 73 -16.381 6.194 -9.081 1.00 1.15 C ATOM 726 NZ LYS A 73 -15.074 6.040 -9.764 1.00 2.85 N ATOM 0 H LYS A 73 -13.694 5.089 -5.613 1.00 0.50 H new ATOM 0 HA LYS A 73 -15.124 5.927 -3.310 1.00 0.60 H new ATOM 0 HB2 LYS A 73 -16.750 6.841 -4.995 1.00 0.69 H new ATOM 0 HB3 LYS A 73 -15.095 7.336 -5.288 1.00 0.69 H new ATOM 0 HG2 LYS A 73 -14.875 5.493 -6.989 1.00 0.72 H new ATOM 0 HG3 LYS A 73 -16.557 5.077 -6.726 1.00 0.72 H new ATOM 0 HD2 LYS A 73 -17.215 7.398 -7.481 1.00 1.13 H new ATOM 0 HD3 LYS A 73 -15.530 7.740 -7.819 1.00 1.13 H new ATOM 0 HE2 LYS A 73 -16.813 5.209 -8.905 1.00 1.15 H new ATOM 0 HE3 LYS A 73 -17.068 6.731 -9.735 1.00 1.15 H new ATOM 0 HZ1 LYS A 73 -15.021 5.099 -10.204 1.00 2.85 H new ATOM 0 HZ2 LYS A 73 -14.977 6.771 -10.498 1.00 2.85 H new ATOM 0 HZ3 LYS A 73 -14.306 6.142 -9.070 1.00 2.85 H new ATOM 740 N GLU A 74 -16.371 3.344 -4.913 1.00 0.58 N ATOM 741 CA GLU A 74 -17.439 2.333 -4.986 1.00 0.78 C ATOM 742 C GLU A 74 -17.106 1.105 -4.106 1.00 0.89 C ATOM 743 O GLU A 74 -17.218 -0.055 -4.503 1.00 1.56 O ATOM 744 CB GLU A 74 -17.806 2.090 -6.467 1.00 0.96 C ATOM 745 CG GLU A 74 -16.743 1.351 -7.296 1.00 2.56 C ATOM 746 CD GLU A 74 -16.976 1.492 -8.806 1.00 3.04 C ATOM 747 OE1 GLU A 74 -18.140 1.484 -9.274 1.00 3.24 O ATOM 748 OE2 GLU A 74 -15.976 1.626 -9.552 1.00 4.09 O ATOM 0 H GLU A 74 -15.638 3.195 -5.606 1.00 0.58 H new ATOM 0 HA GLU A 74 -18.368 2.683 -4.536 1.00 0.78 H new ATOM 0 HB2 GLU A 74 -18.734 1.519 -6.505 1.00 0.96 H new ATOM 0 HB3 GLU A 74 -18.005 3.053 -6.937 1.00 0.96 H new ATOM 0 HG2 GLU A 74 -15.756 1.740 -7.046 1.00 2.56 H new ATOM 0 HG3 GLU A 74 -16.747 0.295 -7.028 1.00 2.56 H new ATOM 755 N LYS A 75 -16.572 1.400 -2.915 1.00 0.59 N ATOM 756 CA LYS A 75 -15.911 0.497 -1.969 1.00 0.57 C ATOM 757 C LYS A 75 -16.199 0.952 -0.542 1.00 0.67 C ATOM 758 O LYS A 75 -16.135 2.147 -0.247 1.00 0.78 O ATOM 759 CB LYS A 75 -14.380 0.583 -2.188 1.00 0.38 C ATOM 760 CG LYS A 75 -13.853 0.418 -3.620 1.00 0.35 C ATOM 761 CD LYS A 75 -14.051 -0.985 -4.208 1.00 0.67 C ATOM 762 CE LYS A 75 -14.402 -0.937 -5.699 1.00 0.95 C ATOM 763 NZ LYS A 75 -13.279 -0.507 -6.567 1.00 2.92 N ATOM 0 H LYS A 75 -16.594 2.356 -2.560 1.00 0.59 H new ATOM 0 HA LYS A 75 -16.276 -0.518 -2.125 1.00 0.57 H new ATOM 0 HB2 LYS A 75 -14.042 1.550 -1.816 1.00 0.38 H new ATOM 0 HB3 LYS A 75 -13.909 -0.180 -1.568 1.00 0.38 H new ATOM 0 HG2 LYS A 75 -14.351 1.143 -4.264 1.00 0.35 H new ATOM 0 HG3 LYS A 75 -12.790 0.658 -3.633 1.00 0.35 H new ATOM 0 HD2 LYS A 75 -13.141 -1.569 -4.068 1.00 0.67 H new ATOM 0 HD3 LYS A 75 -14.845 -1.497 -3.665 1.00 0.67 H new ATOM 0 HE2 LYS A 75 -14.735 -1.925 -6.016 1.00 0.95 H new ATOM 0 HE3 LYS A 75 -15.241 -0.256 -5.843 1.00 0.95 H new ATOM 0 HZ1 LYS A 75 -13.498 -0.737 -7.557 1.00 2.92 H new ATOM 0 HZ2 LYS A 75 -13.141 0.519 -6.473 1.00 2.92 H new ATOM 0 HZ3 LYS A 75 -12.410 -1.001 -6.281 1.00 2.92 H new ATOM 777 N ARG A 76 -16.386 -0.018 0.354 1.00 0.67 N ATOM 778 CA ARG A 76 -16.240 0.143 1.786 1.00 0.70 C ATOM 779 C ARG A 76 -14.790 0.474 2.145 1.00 0.55 C ATOM 780 O ARG A 76 -13.883 0.161 1.375 1.00 0.43 O ATOM 781 CB ARG A 76 -16.588 -1.177 2.487 1.00 0.75 C ATOM 782 CG ARG A 76 -17.660 -2.123 1.920 1.00 1.18 C ATOM 783 CD ARG A 76 -19.090 -1.686 2.252 1.00 1.35 C ATOM 784 NE ARG A 76 -20.066 -2.686 1.777 1.00 1.85 N ATOM 785 CZ ARG A 76 -20.604 -3.669 2.478 1.00 2.64 C ATOM 786 NH1 ARG A 76 -20.263 -3.917 3.709 1.00 3.42 N ATOM 787 NH2 ARG A 76 -21.508 -4.426 1.934 1.00 3.25 N ATOM 0 H ARG A 76 -16.652 -0.965 0.085 1.00 0.67 H new ATOM 0 HA ARG A 76 -16.902 0.949 2.103 1.00 0.70 H new ATOM 0 HB2 ARG A 76 -15.664 -1.751 2.561 1.00 0.75 H new ATOM 0 HB3 ARG A 76 -16.890 -0.927 3.504 1.00 0.75 H new ATOM 0 HG2 ARG A 76 -17.547 -2.181 0.837 1.00 1.18 H new ATOM 0 HG3 ARG A 76 -17.494 -3.126 2.312 1.00 1.18 H new ATOM 0 HD2 ARG A 76 -19.194 -1.553 3.329 1.00 1.35 H new ATOM 0 HD3 ARG A 76 -19.297 -0.721 1.790 1.00 1.35 H new ATOM 0 HE ARG A 76 -20.357 -2.610 0.802 1.00 1.85 H new ATOM 0 HH11 ARG A 76 -19.556 -3.343 4.168 1.00 3.42 H new ATOM 0 HH12 ARG A 76 -20.703 -4.686 4.215 1.00 3.42 H new ATOM 0 HH21 ARG A 76 -21.799 -4.261 0.971 1.00 3.25 H new ATOM 0 HH22 ARG A 76 -21.927 -5.186 2.470 1.00 3.25 H new ATOM 801 N THR A 77 -14.543 0.910 3.374 1.00 0.61 N ATOM 802 CA THR A 77 -13.185 1.029 3.931 1.00 0.55 C ATOM 803 C THR A 77 -12.364 -0.252 3.830 1.00 0.43 C ATOM 804 O THR A 77 -11.265 -0.250 3.276 1.00 0.36 O ATOM 805 CB THR A 77 -13.273 1.495 5.385 1.00 0.59 C ATOM 806 OG1 THR A 77 -13.800 2.803 5.426 1.00 0.72 O ATOM 807 CG2 THR A 77 -11.933 1.535 6.122 1.00 0.61 C ATOM 0 H THR A 77 -15.277 1.195 4.022 1.00 0.61 H new ATOM 0 HA THR A 77 -12.657 1.766 3.326 1.00 0.55 H new ATOM 0 HB THR A 77 -13.907 0.761 5.883 1.00 0.59 H new ATOM 0 HG1 THR A 77 -13.859 3.103 6.357 1.00 0.72 H new ATOM 0 HG21 THR A 77 -12.091 1.876 7.145 1.00 0.61 H new ATOM 0 HG22 THR A 77 -11.495 0.537 6.136 1.00 0.61 H new ATOM 0 HG23 THR A 77 -11.257 2.220 5.611 1.00 0.61 H new ATOM 815 N VAL A 78 -12.920 -1.372 4.283 1.00 0.42 N ATOM 816 CA VAL A 78 -12.256 -2.683 4.202 1.00 0.34 C ATOM 817 C VAL A 78 -12.018 -3.136 2.754 1.00 0.31 C ATOM 818 O VAL A 78 -10.963 -3.701 2.467 1.00 0.30 O ATOM 819 CB VAL A 78 -13.061 -3.706 5.014 1.00 0.44 C ATOM 820 CG1 VAL A 78 -14.453 -3.919 4.419 1.00 0.56 C ATOM 821 CG2 VAL A 78 -12.329 -5.041 5.159 1.00 0.62 C ATOM 0 H VAL A 78 -13.842 -1.404 4.717 1.00 0.42 H new ATOM 0 HA VAL A 78 -11.260 -2.597 4.637 1.00 0.34 H new ATOM 0 HB VAL A 78 -13.174 -3.287 6.014 1.00 0.44 H new ATOM 0 HG11 VAL A 78 -14.997 -4.649 5.018 1.00 0.56 H new ATOM 0 HG12 VAL A 78 -14.996 -2.974 4.417 1.00 0.56 H new ATOM 0 HG13 VAL A 78 -14.360 -4.286 3.397 1.00 0.56 H new ATOM 0 HG21 VAL A 78 -12.941 -5.730 5.742 1.00 0.62 H new ATOM 0 HG22 VAL A 78 -12.146 -5.465 4.172 1.00 0.62 H new ATOM 0 HG23 VAL A 78 -11.378 -4.881 5.667 1.00 0.62 H new ATOM 831 N GLN A 79 -12.933 -2.808 1.826 1.00 0.35 N ATOM 832 CA GLN A 79 -12.747 -3.054 0.389 1.00 0.32 C ATOM 833 C GLN A 79 -11.591 -2.223 -0.183 1.00 0.36 C ATOM 834 O GLN A 79 -10.777 -2.787 -0.911 1.00 0.68 O ATOM 835 CB GLN A 79 -14.018 -2.777 -0.439 1.00 0.40 C ATOM 836 CG GLN A 79 -15.097 -3.871 -0.414 1.00 0.83 C ATOM 837 CD GLN A 79 -16.110 -3.696 -1.551 1.00 1.23 C ATOM 838 OE1 GLN A 79 -15.773 -3.539 -2.717 1.00 2.61 O ATOM 839 NE2 GLN A 79 -17.392 -3.643 -1.281 1.00 0.92 N ATOM 0 H GLN A 79 -13.823 -2.364 2.053 1.00 0.35 H new ATOM 0 HA GLN A 79 -12.511 -4.115 0.308 1.00 0.32 H new ATOM 0 HB2 GLN A 79 -14.464 -1.848 -0.082 1.00 0.40 H new ATOM 0 HB3 GLN A 79 -13.722 -2.611 -1.475 1.00 0.40 H new ATOM 0 HG2 GLN A 79 -14.624 -4.850 -0.495 1.00 0.83 H new ATOM 0 HG3 GLN A 79 -15.617 -3.847 0.544 1.00 0.83 H new ATOM 0 HE21 GLN A 79 -17.717 -3.769 -0.322 1.00 0.92 H new ATOM 0 HE22 GLN A 79 -18.064 -3.476 -2.030 1.00 0.92 H new ATOM 848 N GLN A 80 -11.488 -0.924 0.148 1.00 0.19 N ATOM 849 CA GLN A 80 -10.356 -0.079 -0.260 1.00 0.17 C ATOM 850 C GLN A 80 -9.037 -0.676 0.252 1.00 0.19 C ATOM 851 O GLN A 80 -8.126 -0.901 -0.543 1.00 0.28 O ATOM 852 CB GLN A 80 -10.479 1.356 0.296 1.00 0.23 C ATOM 853 CG GLN A 80 -11.628 2.226 -0.245 1.00 0.25 C ATOM 854 CD GLN A 80 -11.656 3.624 0.387 1.00 0.33 C ATOM 855 OE1 GLN A 80 -10.890 3.951 1.287 1.00 0.34 O ATOM 856 NE2 GLN A 80 -12.535 4.499 -0.046 1.00 0.61 N ATOM 0 H GLN A 80 -12.187 -0.433 0.705 1.00 0.19 H new ATOM 0 HA GLN A 80 -10.366 -0.041 -1.349 1.00 0.17 H new ATOM 0 HB2 GLN A 80 -10.586 1.290 1.379 1.00 0.23 H new ATOM 0 HB3 GLN A 80 -9.541 1.876 0.100 1.00 0.23 H new ATOM 0 HG2 GLN A 80 -11.529 2.322 -1.326 1.00 0.25 H new ATOM 0 HG3 GLN A 80 -12.578 1.726 -0.055 1.00 0.25 H new ATOM 0 HE21 GLN A 80 -13.181 4.246 -0.794 1.00 0.61 H new ATOM 0 HE22 GLN A 80 -12.572 5.432 0.366 1.00 0.61 H new ATOM 865 N HIS A 81 -8.948 -0.991 1.551 1.00 0.21 N ATOM 866 CA HIS A 81 -7.759 -1.601 2.154 1.00 0.25 C ATOM 867 C HIS A 81 -7.378 -2.907 1.442 1.00 0.24 C ATOM 868 O HIS A 81 -6.228 -3.052 1.024 1.00 0.26 O ATOM 869 CB HIS A 81 -7.989 -1.851 3.653 1.00 0.29 C ATOM 870 CG HIS A 81 -8.048 -0.618 4.523 1.00 0.34 C ATOM 871 ND1 HIS A 81 -8.784 -0.474 5.679 1.00 0.43 N ATOM 872 CD2 HIS A 81 -7.286 0.514 4.398 1.00 0.36 C ATOM 873 CE1 HIS A 81 -8.476 0.707 6.234 1.00 0.47 C ATOM 874 NE2 HIS A 81 -7.569 1.353 5.481 1.00 0.43 N ATOM 0 H HIS A 81 -9.704 -0.828 2.216 1.00 0.21 H new ATOM 0 HA HIS A 81 -6.928 -0.905 2.037 1.00 0.25 H new ATOM 0 HB2 HIS A 81 -8.922 -2.401 3.771 1.00 0.29 H new ATOM 0 HB3 HIS A 81 -7.190 -2.495 4.022 1.00 0.29 H new ATOM 0 HD2 HIS A 81 -6.588 0.722 3.601 1.00 0.36 H new ATOM 0 HE1 HIS A 81 -8.896 1.085 7.154 1.00 0.47 H new ATOM 0 HE2 HIS A 81 -7.167 2.273 5.663 1.00 0.43 H new ATOM 882 N GLN A 82 -8.328 -3.827 1.242 1.00 0.24 N ATOM 883 CA GLN A 82 -8.108 -5.130 0.619 1.00 0.30 C ATOM 884 C GLN A 82 -7.415 -5.029 -0.746 1.00 0.26 C ATOM 885 O GLN A 82 -6.504 -5.807 -1.008 1.00 0.29 O ATOM 886 CB GLN A 82 -9.439 -5.902 0.546 1.00 0.42 C ATOM 887 CG GLN A 82 -9.392 -7.176 -0.316 1.00 0.63 C ATOM 888 CD GLN A 82 -8.316 -8.197 0.059 1.00 1.01 C ATOM 889 OE1 GLN A 82 -7.662 -8.145 1.094 1.00 1.53 O ATOM 890 NE2 GLN A 82 -8.106 -9.193 -0.774 1.00 1.04 N ATOM 0 H GLN A 82 -9.298 -3.678 1.518 1.00 0.24 H new ATOM 0 HA GLN A 82 -7.416 -5.691 1.247 1.00 0.30 H new ATOM 0 HB2 GLN A 82 -9.743 -6.174 1.557 1.00 0.42 H new ATOM 0 HB3 GLN A 82 -10.208 -5.239 0.150 1.00 0.42 H new ATOM 0 HG2 GLN A 82 -10.365 -7.665 -0.261 1.00 0.63 H new ATOM 0 HG3 GLN A 82 -9.241 -6.883 -1.355 1.00 0.63 H new ATOM 0 HE21 GLN A 82 -8.640 -9.254 -1.641 1.00 1.04 H new ATOM 0 HE22 GLN A 82 -7.409 -9.904 -0.553 1.00 1.04 H new ATOM 899 N MET A 83 -7.754 -4.051 -1.591 1.00 0.23 N ATOM 900 CA MET A 83 -7.089 -3.862 -2.889 1.00 0.23 C ATOM 901 C MET A 83 -5.582 -3.618 -2.732 1.00 0.24 C ATOM 902 O MET A 83 -4.759 -4.235 -3.411 1.00 0.35 O ATOM 903 CB MET A 83 -7.715 -2.654 -3.606 1.00 0.26 C ATOM 904 CG MET A 83 -9.214 -2.832 -3.824 1.00 0.22 C ATOM 905 SD MET A 83 -10.183 -1.408 -4.402 1.00 1.09 S ATOM 906 CE MET A 83 -9.486 -1.199 -6.056 1.00 0.41 C ATOM 0 H MET A 83 -8.490 -3.372 -1.400 1.00 0.23 H new ATOM 0 HA MET A 83 -7.226 -4.775 -3.469 1.00 0.23 H new ATOM 0 HB2 MET A 83 -7.539 -1.753 -3.019 1.00 0.26 H new ATOM 0 HB3 MET A 83 -7.224 -2.509 -4.568 1.00 0.26 H new ATOM 0 HG2 MET A 83 -9.350 -3.639 -4.543 1.00 0.22 H new ATOM 0 HG3 MET A 83 -9.648 -3.168 -2.882 1.00 0.22 H new ATOM 0 HE1 MET A 83 -10.186 -0.642 -6.678 1.00 0.41 H new ATOM 0 HE2 MET A 83 -8.546 -0.652 -5.988 1.00 0.41 H new ATOM 0 HE3 MET A 83 -9.305 -2.177 -6.501 1.00 0.41 H new ATOM 916 N VAL A 84 -5.232 -2.719 -1.808 1.00 0.18 N ATOM 917 CA VAL A 84 -3.851 -2.310 -1.472 1.00 0.18 C ATOM 918 C VAL A 84 -3.093 -3.434 -0.755 1.00 0.21 C ATOM 919 O VAL A 84 -1.894 -3.589 -0.951 1.00 0.22 O ATOM 920 CB VAL A 84 -3.852 -1.051 -0.575 1.00 0.18 C ATOM 921 CG1 VAL A 84 -2.479 -0.378 -0.476 1.00 0.18 C ATOM 922 CG2 VAL A 84 -4.823 0.025 -1.046 1.00 0.23 C ATOM 0 H VAL A 84 -5.928 -2.231 -1.245 1.00 0.18 H new ATOM 0 HA VAL A 84 -3.347 -2.087 -2.412 1.00 0.18 H new ATOM 0 HB VAL A 84 -4.158 -1.441 0.396 1.00 0.18 H new ATOM 0 HG11 VAL A 84 -2.549 0.499 0.168 1.00 0.18 H new ATOM 0 HG12 VAL A 84 -1.759 -1.080 -0.056 1.00 0.18 H new ATOM 0 HG13 VAL A 84 -2.151 -0.073 -1.470 1.00 0.18 H new ATOM 0 HG21 VAL A 84 -4.773 0.880 -0.372 1.00 0.23 H new ATOM 0 HG22 VAL A 84 -4.555 0.341 -2.054 1.00 0.23 H new ATOM 0 HG23 VAL A 84 -5.837 -0.376 -1.049 1.00 0.23 H new ATOM 932 N ASN A 85 -3.798 -4.254 0.030 1.00 0.28 N ATOM 933 CA ASN A 85 -3.295 -5.463 0.691 1.00 0.30 C ATOM 934 C ASN A 85 -2.912 -6.519 -0.365 1.00 0.30 C ATOM 935 O ASN A 85 -1.782 -7.002 -0.406 1.00 0.31 O ATOM 936 CB ASN A 85 -4.389 -5.993 1.648 1.00 0.33 C ATOM 937 CG ASN A 85 -4.435 -5.367 3.026 1.00 0.40 C ATOM 938 OD1 ASN A 85 -4.227 -6.020 4.034 1.00 0.58 O ATOM 939 ND2 ASN A 85 -4.775 -4.112 3.117 1.00 0.36 N ATOM 0 H ASN A 85 -4.783 -4.085 0.232 1.00 0.28 H new ATOM 0 HA ASN A 85 -2.399 -5.236 1.269 1.00 0.30 H new ATOM 0 HB2 ASN A 85 -5.359 -5.847 1.173 1.00 0.33 H new ATOM 0 HB3 ASN A 85 -4.250 -7.068 1.765 1.00 0.33 H new ATOM 0 HD21 ASN A 85 -4.868 -3.674 4.033 1.00 0.36 H new ATOM 0 HD22 ASN A 85 -4.948 -3.568 2.272 1.00 0.36 H new ATOM 946 N GLN A 86 -3.827 -6.831 -1.283 1.00 0.31 N ATOM 947 CA GLN A 86 -3.653 -7.865 -2.303 1.00 0.36 C ATOM 948 C GLN A 86 -2.565 -7.519 -3.337 1.00 0.32 C ATOM 949 O GLN A 86 -1.916 -8.415 -3.878 1.00 0.45 O ATOM 950 CB GLN A 86 -5.027 -8.058 -2.969 1.00 0.48 C ATOM 951 CG GLN A 86 -5.324 -9.511 -3.333 1.00 0.76 C ATOM 952 CD GLN A 86 -4.639 -9.995 -4.604 1.00 1.47 C ATOM 953 OE1 GLN A 86 -4.349 -9.235 -5.519 1.00 3.15 O ATOM 954 NE2 GLN A 86 -4.391 -11.276 -4.722 1.00 1.65 N ATOM 0 H GLN A 86 -4.730 -6.361 -1.339 1.00 0.31 H new ATOM 0 HA GLN A 86 -3.304 -8.787 -1.838 1.00 0.36 H new ATOM 0 HB2 GLN A 86 -5.803 -7.693 -2.296 1.00 0.48 H new ATOM 0 HB3 GLN A 86 -5.075 -7.448 -3.871 1.00 0.48 H new ATOM 0 HG2 GLN A 86 -5.018 -10.150 -2.504 1.00 0.76 H new ATOM 0 HG3 GLN A 86 -6.401 -9.631 -3.447 1.00 0.76 H new ATOM 0 HE21 GLN A 86 -4.630 -11.914 -3.963 1.00 1.65 H new ATOM 0 HE22 GLN A 86 -3.958 -11.635 -5.573 1.00 1.65 H new ATOM 963 N ALA A 87 -2.310 -6.221 -3.551 1.00 0.25 N ATOM 964 CA ALA A 87 -1.334 -5.688 -4.501 1.00 0.27 C ATOM 965 C ALA A 87 0.077 -6.225 -4.246 1.00 0.27 C ATOM 966 O ALA A 87 0.789 -6.543 -5.197 1.00 0.39 O ATOM 967 CB ALA A 87 -1.352 -4.158 -4.387 1.00 0.30 C ATOM 0 H ALA A 87 -2.801 -5.485 -3.043 1.00 0.25 H new ATOM 0 HA ALA A 87 -1.608 -6.007 -5.507 1.00 0.27 H new ATOM 0 HB1 ALA A 87 -0.632 -3.733 -5.086 1.00 0.30 H new ATOM 0 HB2 ALA A 87 -2.349 -3.787 -4.623 1.00 0.30 H new ATOM 0 HB3 ALA A 87 -1.088 -3.866 -3.371 1.00 0.30 H new ATOM 973 N LEU A 88 0.468 -6.364 -2.975 1.00 0.22 N ATOM 974 CA LEU A 88 1.806 -6.834 -2.591 1.00 0.28 C ATOM 975 C LEU A 88 1.807 -8.107 -1.742 1.00 0.30 C ATOM 976 O LEU A 88 2.879 -8.632 -1.453 1.00 0.37 O ATOM 977 CB LEU A 88 2.641 -5.673 -2.029 1.00 0.35 C ATOM 978 CG LEU A 88 2.409 -5.181 -0.585 1.00 0.37 C ATOM 979 CD1 LEU A 88 0.952 -4.888 -0.261 1.00 0.44 C ATOM 980 CD2 LEU A 88 2.999 -6.129 0.453 1.00 0.36 C ATOM 0 H LEU A 88 -0.135 -6.153 -2.180 1.00 0.22 H new ATOM 0 HA LEU A 88 2.310 -7.169 -3.498 1.00 0.28 H new ATOM 0 HB2 LEU A 88 3.689 -5.960 -2.109 1.00 0.35 H new ATOM 0 HB3 LEU A 88 2.493 -4.819 -2.690 1.00 0.35 H new ATOM 0 HG LEU A 88 2.943 -4.232 -0.532 1.00 0.37 H new ATOM 0 HD11 LEU A 88 0.870 -4.547 0.771 1.00 0.44 H new ATOM 0 HD12 LEU A 88 0.579 -4.112 -0.930 1.00 0.44 H new ATOM 0 HD13 LEU A 88 0.361 -5.794 -0.392 1.00 0.44 H new ATOM 0 HD21 LEU A 88 2.809 -5.738 1.453 1.00 0.36 H new ATOM 0 HD22 LEU A 88 2.536 -7.111 0.354 1.00 0.36 H new ATOM 0 HD23 LEU A 88 4.074 -6.217 0.296 1.00 0.36 H new ATOM 992 N LYS A 89 0.632 -8.663 -1.419 1.00 0.28 N ATOM 993 CA LYS A 89 0.482 -9.933 -0.696 1.00 0.34 C ATOM 994 C LYS A 89 1.267 -11.073 -1.335 1.00 0.40 C ATOM 995 O LYS A 89 1.770 -11.953 -0.640 1.00 0.48 O ATOM 996 CB LYS A 89 -1.018 -10.270 -0.592 1.00 0.41 C ATOM 997 CG LYS A 89 -1.217 -11.695 -0.057 1.00 0.50 C ATOM 998 CD LYS A 89 -2.519 -11.926 0.716 1.00 0.86 C ATOM 999 CE LYS A 89 -3.733 -12.099 -0.195 1.00 1.66 C ATOM 1000 NZ LYS A 89 -4.914 -12.532 0.584 1.00 1.89 N ATOM 0 H LYS A 89 -0.261 -8.233 -1.659 1.00 0.28 H new ATOM 0 HA LYS A 89 0.904 -9.812 0.302 1.00 0.34 H new ATOM 0 HB2 LYS A 89 -1.512 -9.556 0.068 1.00 0.41 H new ATOM 0 HB3 LYS A 89 -1.486 -10.175 -1.572 1.00 0.41 H new ATOM 0 HG2 LYS A 89 -1.184 -12.389 -0.897 1.00 0.50 H new ATOM 0 HG3 LYS A 89 -0.378 -11.942 0.594 1.00 0.50 H new ATOM 0 HD2 LYS A 89 -2.411 -12.813 1.341 1.00 0.86 H new ATOM 0 HD3 LYS A 89 -2.692 -11.083 1.386 1.00 0.86 H new ATOM 0 HE2 LYS A 89 -3.950 -11.159 -0.702 1.00 1.66 H new ATOM 0 HE3 LYS A 89 -3.512 -12.835 -0.968 1.00 1.66 H new ATOM 0 HZ1 LYS A 89 -5.728 -12.644 -0.053 1.00 1.89 H new ATOM 0 HZ2 LYS A 89 -4.710 -13.440 1.048 1.00 1.89 H new ATOM 0 HZ3 LYS A 89 -5.135 -11.817 1.306 1.00 1.89 H new ATOM 1014 N GLU A 90 1.400 -11.076 -2.656 1.00 0.46 N ATOM 1015 CA GLU A 90 2.094 -12.134 -3.344 1.00 0.62 C ATOM 1016 C GLU A 90 3.635 -11.944 -3.329 1.00 0.69 C ATOM 1017 O GLU A 90 4.381 -12.810 -3.783 1.00 0.92 O ATOM 1018 CB GLU A 90 1.442 -12.238 -4.725 1.00 0.70 C ATOM 1019 CG GLU A 90 0.116 -13.018 -4.646 1.00 0.85 C ATOM 1020 CD GLU A 90 -0.549 -13.258 -6.009 1.00 0.99 C ATOM 1021 OE1 GLU A 90 -0.652 -14.433 -6.443 1.00 1.90 O ATOM 1022 OE2 GLU A 90 -1.014 -12.285 -6.650 1.00 1.84 O ATOM 0 H GLU A 90 1.030 -10.348 -3.267 1.00 0.46 H new ATOM 0 HA GLU A 90 1.991 -13.094 -2.839 1.00 0.62 H new ATOM 0 HB2 GLU A 90 1.259 -11.239 -5.122 1.00 0.70 H new ATOM 0 HB3 GLU A 90 2.122 -12.736 -5.417 1.00 0.70 H new ATOM 0 HG2 GLU A 90 0.300 -13.980 -4.169 1.00 0.85 H new ATOM 0 HG3 GLU A 90 -0.577 -12.472 -4.006 1.00 0.85 H new ATOM 1029 N GLU A 91 4.131 -10.836 -2.764 1.00 0.55 N ATOM 1030 CA GLU A 91 5.534 -10.546 -2.448 1.00 0.54 C ATOM 1031 C GLU A 91 5.811 -10.679 -0.933 1.00 0.53 C ATOM 1032 O GLU A 91 6.688 -11.446 -0.521 1.00 0.62 O ATOM 1033 CB GLU A 91 5.853 -9.114 -2.937 1.00 0.61 C ATOM 1034 CG GLU A 91 6.440 -8.985 -4.348 1.00 0.58 C ATOM 1035 CD GLU A 91 7.602 -9.946 -4.638 1.00 1.45 C ATOM 1036 OE1 GLU A 91 7.544 -10.689 -5.648 1.00 1.81 O ATOM 1037 OE2 GLU A 91 8.594 -9.968 -3.874 1.00 3.18 O ATOM 0 H GLU A 91 3.519 -10.065 -2.497 1.00 0.55 H new ATOM 0 HA GLU A 91 6.176 -11.268 -2.952 1.00 0.54 H new ATOM 0 HB2 GLU A 91 4.935 -8.527 -2.895 1.00 0.61 H new ATOM 0 HB3 GLU A 91 6.553 -8.662 -2.234 1.00 0.61 H new ATOM 0 HG2 GLU A 91 5.648 -9.161 -5.076 1.00 0.58 H new ATOM 0 HG3 GLU A 91 6.785 -7.961 -4.493 1.00 0.58 H new ATOM 1044 N ILE A 92 5.047 -9.966 -0.096 1.00 0.53 N ATOM 1045 CA ILE A 92 5.139 -9.937 1.375 1.00 0.58 C ATOM 1046 C ILE A 92 3.715 -9.956 1.953 1.00 0.58 C ATOM 1047 O ILE A 92 2.927 -9.053 1.700 1.00 0.66 O ATOM 1048 CB ILE A 92 5.926 -8.691 1.856 1.00 0.61 C ATOM 1049 CG1 ILE A 92 7.361 -8.715 1.278 1.00 0.83 C ATOM 1050 CG2 ILE A 92 5.939 -8.624 3.396 1.00 0.68 C ATOM 1051 CD1 ILE A 92 8.298 -7.615 1.788 1.00 0.95 C ATOM 0 H ILE A 92 4.305 -9.358 -0.444 1.00 0.53 H new ATOM 0 HA ILE A 92 5.685 -10.812 1.728 1.00 0.58 H new ATOM 0 HB ILE A 92 5.430 -7.792 1.491 1.00 0.61 H new ATOM 0 HG12 ILE A 92 7.809 -9.683 1.504 1.00 0.83 H new ATOM 0 HG13 ILE A 92 7.298 -8.639 0.192 1.00 0.83 H new ATOM 0 HG21 ILE A 92 6.496 -7.744 3.717 1.00 0.68 H new ATOM 0 HG22 ILE A 92 4.916 -8.561 3.766 1.00 0.68 H new ATOM 0 HG23 ILE A 92 6.415 -9.520 3.795 1.00 0.68 H new ATOM 0 HD11 ILE A 92 9.276 -7.724 1.320 1.00 0.95 H new ATOM 0 HD12 ILE A 92 7.883 -6.639 1.538 1.00 0.95 H new ATOM 0 HD13 ILE A 92 8.402 -7.698 2.870 1.00 0.95 H new ATOM 1063 N LYS A 93 3.365 -10.964 2.752 1.00 0.61 N ATOM 1064 CA LYS A 93 1.972 -11.204 3.183 1.00 0.60 C ATOM 1065 C LYS A 93 1.570 -10.515 4.502 1.00 0.66 C ATOM 1066 O LYS A 93 0.449 -10.693 4.976 1.00 0.59 O ATOM 1067 CB LYS A 93 1.750 -12.714 3.319 1.00 0.73 C ATOM 1068 CG LYS A 93 2.021 -13.566 2.067 1.00 1.58 C ATOM 1069 CD LYS A 93 2.081 -15.074 2.350 1.00 1.53 C ATOM 1070 CE LYS A 93 3.264 -15.462 3.242 1.00 2.49 C ATOM 1071 NZ LYS A 93 3.445 -16.930 3.286 1.00 2.76 N ATOM 0 H LYS A 93 4.032 -11.641 3.123 1.00 0.61 H new ATOM 0 HA LYS A 93 1.339 -10.761 2.414 1.00 0.60 H new ATOM 0 HB2 LYS A 93 2.386 -13.081 4.125 1.00 0.73 H new ATOM 0 HB3 LYS A 93 0.718 -12.880 3.627 1.00 0.73 H new ATOM 0 HG2 LYS A 93 1.240 -13.374 1.331 1.00 1.58 H new ATOM 0 HG3 LYS A 93 2.964 -13.251 1.621 1.00 1.58 H new ATOM 0 HD2 LYS A 93 1.153 -15.387 2.828 1.00 1.53 H new ATOM 0 HD3 LYS A 93 2.151 -15.614 1.406 1.00 1.53 H new ATOM 0 HE2 LYS A 93 4.174 -14.992 2.868 1.00 2.49 H new ATOM 0 HE3 LYS A 93 3.101 -15.083 4.251 1.00 2.49 H new ATOM 0 HZ1 LYS A 93 4.253 -17.162 3.898 1.00 2.76 H new ATOM 0 HZ2 LYS A 93 2.585 -17.375 3.666 1.00 2.76 H new ATOM 0 HZ3 LYS A 93 3.624 -17.287 2.326 1.00 2.76 H new ATOM 1085 N GLU A 94 2.492 -9.802 5.147 1.00 0.87 N ATOM 1086 CA GLU A 94 2.483 -9.456 6.563 1.00 0.89 C ATOM 1087 C GLU A 94 1.605 -8.242 6.923 1.00 0.81 C ATOM 1088 O GLU A 94 2.058 -7.264 7.516 1.00 1.01 O ATOM 1089 CB GLU A 94 3.958 -9.306 6.958 1.00 1.18 C ATOM 1090 CG GLU A 94 4.560 -10.591 7.522 1.00 1.46 C ATOM 1091 CD GLU A 94 4.489 -11.762 6.544 1.00 1.96 C ATOM 1092 OE1 GLU A 94 5.168 -11.702 5.495 1.00 2.81 O ATOM 1093 OE2 GLU A 94 3.782 -12.753 6.849 1.00 3.04 O ATOM 0 H GLU A 94 3.311 -9.430 4.666 1.00 0.87 H new ATOM 0 HA GLU A 94 2.001 -10.242 7.145 1.00 0.89 H new ATOM 0 HB2 GLU A 94 4.532 -8.995 6.085 1.00 1.18 H new ATOM 0 HB3 GLU A 94 4.051 -8.512 7.699 1.00 1.18 H new ATOM 0 HG2 GLU A 94 5.601 -10.411 7.790 1.00 1.46 H new ATOM 0 HG3 GLU A 94 4.036 -10.859 8.440 1.00 1.46 H new ATOM 1100 N MET A 95 0.308 -8.293 6.626 1.00 0.70 N ATOM 1101 CA MET A 95 -0.611 -7.186 6.935 1.00 0.84 C ATOM 1102 C MET A 95 -1.010 -7.051 8.413 1.00 0.78 C ATOM 1103 O MET A 95 -1.788 -6.159 8.750 1.00 1.01 O ATOM 1104 CB MET A 95 -1.758 -7.113 5.921 1.00 0.92 C ATOM 1105 CG MET A 95 -1.169 -6.805 4.537 1.00 0.99 C ATOM 1106 SD MET A 95 -1.037 -8.218 3.417 1.00 1.22 S ATOM 1107 CE MET A 95 0.046 -7.451 2.193 1.00 1.79 C ATOM 0 H MET A 95 -0.137 -9.090 6.170 1.00 0.70 H new ATOM 0 HA MET A 95 -0.040 -6.267 6.801 1.00 0.84 H new ATOM 0 HB2 MET A 95 -2.304 -8.056 5.899 1.00 0.92 H new ATOM 0 HB3 MET A 95 -2.470 -6.340 6.210 1.00 0.92 H new ATOM 0 HG2 MET A 95 -1.785 -6.042 4.061 1.00 0.99 H new ATOM 0 HG3 MET A 95 -0.176 -6.376 4.671 1.00 0.99 H new ATOM 0 HE1 MET A 95 -0.076 -7.954 1.234 1.00 1.79 H new ATOM 0 HE2 MET A 95 -0.214 -6.398 2.086 1.00 1.79 H new ATOM 0 HE3 MET A 95 1.082 -7.538 2.519 1.00 1.79 H new ATOM 1117 N HIS A 96 -0.359 -7.800 9.314 1.00 0.58 N ATOM 1118 CA HIS A 96 -0.215 -7.382 10.720 1.00 0.56 C ATOM 1119 C HIS A 96 0.638 -6.104 10.871 1.00 0.45 C ATOM 1120 O HIS A 96 0.487 -5.350 11.831 1.00 0.64 O ATOM 1121 CB HIS A 96 0.362 -8.536 11.567 1.00 0.74 C ATOM 1122 CG HIS A 96 1.863 -8.716 11.464 1.00 1.58 C ATOM 1123 ND1 HIS A 96 2.812 -8.076 12.234 1.00 3.31 N ATOM 1124 CD2 HIS A 96 2.545 -9.531 10.598 1.00 2.18 C ATOM 1125 CE1 HIS A 96 4.029 -8.450 11.811 1.00 3.96 C ATOM 1126 NE2 HIS A 96 3.919 -9.381 10.844 1.00 3.30 N ATOM 0 H HIS A 96 0.076 -8.697 9.097 1.00 0.58 H new ATOM 0 HA HIS A 96 -1.211 -7.137 11.089 1.00 0.56 H new ATOM 0 HB2 HIS A 96 0.102 -8.365 12.612 1.00 0.74 H new ATOM 0 HB3 HIS A 96 -0.122 -9.465 11.266 1.00 0.74 H new ATOM 0 HD2 HIS A 96 2.102 -10.177 9.855 1.00 2.18 H new ATOM 0 HE1 HIS A 96 4.962 -8.061 12.191 1.00 3.96 H new ATOM 0 HE2 HIS A 96 4.681 -9.878 10.383 1.00 3.30 H new ATOM 1134 N GLY A 97 1.535 -5.872 9.912 1.00 0.40 N ATOM 1135 CA GLY A 97 2.512 -4.785 9.881 1.00 0.44 C ATOM 1136 C GLY A 97 2.097 -3.538 9.117 1.00 0.42 C ATOM 1137 O GLY A 97 2.735 -2.494 9.258 1.00 0.50 O ATOM 0 H GLY A 97 1.602 -6.472 9.090 1.00 0.40 H new ATOM 0 HA2 GLY A 97 2.740 -4.499 10.908 1.00 0.44 H new ATOM 0 HA3 GLY A 97 3.435 -5.165 9.443 1.00 0.44 H new ATOM 1141 N LEU A 98 1.090 -3.647 8.254 1.00 0.44 N ATOM 1142 CA LEU A 98 0.799 -2.625 7.250 1.00 0.46 C ATOM 1143 C LEU A 98 -0.231 -1.633 7.769 1.00 0.45 C ATOM 1144 O LEU A 98 -1.332 -2.005 8.184 1.00 0.63 O ATOM 1145 CB LEU A 98 0.404 -3.284 5.923 1.00 0.61 C ATOM 1146 CG LEU A 98 1.530 -4.170 5.362 1.00 0.89 C ATOM 1147 CD1 LEU A 98 1.424 -4.319 3.863 1.00 2.17 C ATOM 1148 CD2 LEU A 98 2.900 -3.540 5.493 1.00 1.40 C ATOM 0 H LEU A 98 0.454 -4.444 8.230 1.00 0.44 H new ATOM 0 HA LEU A 98 1.698 -2.042 7.051 1.00 0.46 H new ATOM 0 HB2 LEU A 98 -0.492 -3.887 6.070 1.00 0.61 H new ATOM 0 HB3 LEU A 98 0.153 -2.512 5.195 1.00 0.61 H new ATOM 0 HG LEU A 98 1.423 -5.098 5.924 1.00 0.89 H new ATOM 0 HD11 LEU A 98 2.235 -4.951 3.502 1.00 2.17 H new ATOM 0 HD12 LEU A 98 0.468 -4.776 3.610 1.00 2.17 H new ATOM 0 HD13 LEU A 98 1.492 -3.337 3.394 1.00 2.17 H new ATOM 0 HD21 LEU A 98 3.651 -4.213 5.080 1.00 1.40 H new ATOM 0 HD22 LEU A 98 2.920 -2.596 4.949 1.00 1.40 H new ATOM 0 HD23 LEU A 98 3.117 -3.357 6.545 1.00 1.40 H new ATOM 1160 N ARG A 99 0.166 -0.365 7.737 1.00 0.35 N ATOM 1161 CA ARG A 99 -0.589 0.796 8.224 1.00 0.36 C ATOM 1162 C ARG A 99 -1.014 1.600 7.011 1.00 0.39 C ATOM 1163 O ARG A 99 -0.238 2.407 6.498 1.00 0.46 O ATOM 1164 CB ARG A 99 0.258 1.586 9.229 1.00 0.35 C ATOM 1165 CG ARG A 99 -0.629 2.470 10.117 1.00 0.52 C ATOM 1166 CD ARG A 99 0.261 3.424 10.911 1.00 0.67 C ATOM 1167 NE ARG A 99 -0.503 4.203 11.903 1.00 1.55 N ATOM 1168 CZ ARG A 99 -0.589 5.514 12.021 1.00 2.38 C ATOM 1169 NH1 ARG A 99 0.072 6.355 11.278 1.00 2.86 N ATOM 1170 NH2 ARG A 99 -1.391 6.030 12.900 1.00 3.32 N ATOM 0 H ARG A 99 1.072 -0.100 7.350 1.00 0.35 H new ATOM 0 HA ARG A 99 -1.487 0.505 8.768 1.00 0.36 H new ATOM 0 HB2 ARG A 99 0.829 0.897 9.850 1.00 0.35 H new ATOM 0 HB3 ARG A 99 0.978 2.206 8.696 1.00 0.35 H new ATOM 0 HG2 ARG A 99 -1.333 3.033 9.505 1.00 0.52 H new ATOM 0 HG3 ARG A 99 -1.219 1.852 10.795 1.00 0.52 H new ATOM 0 HD2 ARG A 99 1.038 2.854 11.420 1.00 0.67 H new ATOM 0 HD3 ARG A 99 0.763 4.106 10.225 1.00 0.67 H new ATOM 0 HE ARG A 99 -1.032 3.659 12.584 1.00 1.55 H new ATOM 0 HH11 ARG A 99 0.701 6.010 10.553 1.00 2.86 H new ATOM 0 HH12 ARG A 99 -0.040 7.359 11.421 1.00 2.86 H new ATOM 0 HH21 ARG A 99 -1.952 5.423 13.497 1.00 3.32 H new ATOM 0 HH22 ARG A 99 -1.460 7.043 12.994 1.00 3.32 H new ATOM 1184 N ILE A 100 -2.182 1.258 6.478 1.00 0.29 N ATOM 1185 CA ILE A 100 -2.595 1.668 5.137 1.00 0.23 C ATOM 1186 C ILE A 100 -3.694 2.703 5.182 1.00 0.20 C ATOM 1187 O ILE A 100 -4.616 2.667 5.995 1.00 0.26 O ATOM 1188 CB ILE A 100 -2.955 0.472 4.218 1.00 0.26 C ATOM 1189 CG1 ILE A 100 -2.195 -0.830 4.554 1.00 0.35 C ATOM 1190 CG2 ILE A 100 -2.714 0.854 2.749 1.00 0.47 C ATOM 1191 CD1 ILE A 100 -2.395 -1.943 3.521 1.00 0.43 C ATOM 0 H ILE A 100 -2.873 0.686 6.964 1.00 0.29 H new ATOM 0 HA ILE A 100 -1.724 2.139 4.681 1.00 0.23 H new ATOM 0 HB ILE A 100 -4.010 0.260 4.392 1.00 0.26 H new ATOM 0 HG12 ILE A 100 -1.131 -0.609 4.635 1.00 0.35 H new ATOM 0 HG13 ILE A 100 -2.521 -1.189 5.530 1.00 0.35 H new ATOM 0 HG21 ILE A 100 -2.968 0.010 2.107 1.00 0.47 H new ATOM 0 HG22 ILE A 100 -3.338 1.709 2.488 1.00 0.47 H new ATOM 0 HG23 ILE A 100 -1.665 1.114 2.608 1.00 0.47 H new ATOM 0 HD11 ILE A 100 -1.832 -2.826 3.824 1.00 0.43 H new ATOM 0 HD12 ILE A 100 -3.454 -2.193 3.456 1.00 0.43 H new ATOM 0 HD13 ILE A 100 -2.042 -1.603 2.547 1.00 0.43 H new ATOM 1203 N PHE A 101 -3.523 3.639 4.267 1.00 0.20 N ATOM 1204 CA PHE A 101 -4.238 4.877 4.165 1.00 0.19 C ATOM 1205 C PHE A 101 -4.706 5.038 2.718 1.00 0.18 C ATOM 1206 O PHE A 101 -3.905 5.018 1.788 1.00 0.34 O ATOM 1207 CB PHE A 101 -3.225 5.934 4.588 1.00 0.23 C ATOM 1208 CG PHE A 101 -2.868 5.919 6.054 1.00 0.28 C ATOM 1209 CD1 PHE A 101 -1.628 5.400 6.464 1.00 1.69 C ATOM 1210 CD2 PHE A 101 -3.796 6.365 7.012 1.00 1.86 C ATOM 1211 CE1 PHE A 101 -1.321 5.298 7.827 1.00 1.64 C ATOM 1212 CE2 PHE A 101 -3.492 6.260 8.378 1.00 1.98 C ATOM 1213 CZ PHE A 101 -2.262 5.715 8.785 1.00 0.64 C ATOM 0 H PHE A 101 -2.828 3.537 3.527 1.00 0.20 H new ATOM 0 HA PHE A 101 -5.131 4.945 4.787 1.00 0.19 H new ATOM 0 HB2 PHE A 101 -2.314 5.797 4.005 1.00 0.23 H new ATOM 0 HB3 PHE A 101 -3.621 6.918 4.335 1.00 0.23 H new ATOM 0 HD1 PHE A 101 -0.909 5.078 5.725 1.00 1.69 H new ATOM 0 HD2 PHE A 101 -4.739 6.787 6.698 1.00 1.86 H new ATOM 0 HE1 PHE A 101 -0.367 4.901 8.140 1.00 1.64 H new ATOM 0 HE2 PHE A 101 -4.203 6.598 9.117 1.00 1.98 H new ATOM 0 HZ PHE A 101 -2.039 5.616 9.837 1.00 0.64 H new ATOM 1223 N THR A 102 -6.012 5.154 2.534 1.00 0.15 N ATOM 1224 CA THR A 102 -6.700 5.299 1.240 1.00 0.18 C ATOM 1225 C THR A 102 -7.699 6.438 1.303 1.00 0.21 C ATOM 1226 O THR A 102 -8.229 6.781 2.366 1.00 0.28 O ATOM 1227 CB THR A 102 -7.470 4.017 0.865 1.00 0.22 C ATOM 1228 OG1 THR A 102 -8.284 3.583 1.938 1.00 0.26 O ATOM 1229 CG2 THR A 102 -6.528 2.868 0.518 1.00 0.27 C ATOM 0 H THR A 102 -6.664 5.150 3.319 1.00 0.15 H new ATOM 0 HA THR A 102 -5.934 5.497 0.490 1.00 0.18 H new ATOM 0 HB THR A 102 -8.077 4.273 -0.003 1.00 0.22 H new ATOM 0 HG1 THR A 102 -9.228 3.686 1.695 1.00 0.26 H new ATOM 0 HG21 THR A 102 -7.112 1.984 0.260 1.00 0.27 H new ATOM 0 HG22 THR A 102 -5.905 3.152 -0.330 1.00 0.27 H new ATOM 0 HG23 THR A 102 -5.894 2.646 1.376 1.00 0.27 H new ATOM 1237 N SER A 103 -7.965 7.004 0.137 1.00 0.24 N ATOM 1238 CA SER A 103 -8.999 8.000 -0.119 1.00 0.25 C ATOM 1239 C SER A 103 -9.305 8.033 -1.625 1.00 0.21 C ATOM 1240 O SER A 103 -8.704 7.280 -2.395 1.00 0.23 O ATOM 1241 CB SER A 103 -8.568 9.376 0.422 1.00 0.31 C ATOM 1242 OG SER A 103 -7.171 9.630 0.435 1.00 0.64 O ATOM 0 H SER A 103 -7.438 6.770 -0.704 1.00 0.24 H new ATOM 0 HA SER A 103 -9.915 7.731 0.406 1.00 0.25 H new ATOM 0 HB2 SER A 103 -9.052 10.148 -0.177 1.00 0.31 H new ATOM 0 HB3 SER A 103 -8.945 9.479 1.439 1.00 0.31 H new ATOM 0 HG SER A 103 -7.005 10.527 0.793 1.00 0.64 H new ATOM 1248 N VAL A 104 -10.232 8.878 -2.078 1.00 0.23 N ATOM 1249 CA VAL A 104 -10.598 8.995 -3.501 1.00 0.23 C ATOM 1250 C VAL A 104 -10.751 10.464 -3.938 1.00 0.36 C ATOM 1251 O VAL A 104 -11.315 11.263 -3.190 1.00 0.49 O ATOM 1252 CB VAL A 104 -11.826 8.109 -3.792 1.00 0.23 C ATOM 1253 CG1 VAL A 104 -13.023 8.324 -2.879 1.00 0.27 C ATOM 1254 CG2 VAL A 104 -12.306 8.197 -5.232 1.00 0.26 C ATOM 0 H VAL A 104 -10.756 9.506 -1.469 1.00 0.23 H new ATOM 0 HA VAL A 104 -9.784 8.618 -4.121 1.00 0.23 H new ATOM 0 HB VAL A 104 -11.432 7.113 -3.589 1.00 0.23 H new ATOM 0 HG11 VAL A 104 -13.829 7.651 -3.171 1.00 0.27 H new ATOM 0 HG12 VAL A 104 -12.735 8.119 -1.848 1.00 0.27 H new ATOM 0 HG13 VAL A 104 -13.364 9.356 -2.963 1.00 0.27 H new ATOM 0 HG21 VAL A 104 -13.172 7.549 -5.367 1.00 0.26 H new ATOM 0 HG22 VAL A 104 -12.583 9.226 -5.461 1.00 0.26 H new ATOM 0 HG23 VAL A 104 -11.507 7.879 -5.902 1.00 0.26 H new ATOM 1264 N PRO A 105 -10.215 10.863 -5.112 1.00 0.45 N ATOM 1265 CA PRO A 105 -10.278 12.229 -5.630 1.00 0.65 C ATOM 1266 C PRO A 105 -11.593 12.484 -6.378 1.00 0.79 C ATOM 1267 O PRO A 105 -12.053 11.651 -7.167 1.00 0.70 O ATOM 1268 CB PRO A 105 -9.052 12.353 -6.542 1.00 0.81 C ATOM 1269 CG PRO A 105 -8.966 10.951 -7.148 1.00 0.66 C ATOM 1270 CD PRO A 105 -9.376 10.064 -5.990 1.00 0.49 C ATOM 0 HA PRO A 105 -10.262 12.977 -4.837 1.00 0.65 H new ATOM 0 HB2 PRO A 105 -9.186 13.120 -7.305 1.00 0.81 H new ATOM 0 HB3 PRO A 105 -8.152 12.613 -5.984 1.00 0.81 H new ATOM 0 HG2 PRO A 105 -9.634 10.837 -8.002 1.00 0.66 H new ATOM 0 HG3 PRO A 105 -7.959 10.722 -7.498 1.00 0.66 H new ATOM 0 HD2 PRO A 105 -9.918 9.189 -6.349 1.00 0.49 H new ATOM 0 HD3 PRO A 105 -8.499 9.699 -5.456 1.00 0.49 H new