USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 497 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 73 ASN : amide:sc= 0.146 K(o=0.33,f=-0.81) USER MOD Set 1.2: A 75 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 76 THR OG1 : rot -82:sc= 0.187 USER MOD Single : A 64 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.021) USER MOD Single : A 70 TYR OH : rot 177:sc= 0.314 USER MOD Single : A 74 TYR OH : rot 30:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.733 K(o=-0.73,f=-1.4) USER MOD Single : A 82 LYS NZ :NH3+ -171:sc= -0.0134 (180deg=-0.121) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl -115:sc= -0.152 (180deg=-0.491) USER MOD Single : A 102 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.23) USER MOD Single : A 106 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.13) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 GLN : amide:sc= -0.3 K(o=-0.3,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 59 -3.185 -12.658 -0.061 1.00 0.00 N ATOM 2 CA TRP A 59 -2.587 -11.423 0.493 1.00 0.00 C ATOM 3 C TRP A 59 -3.336 -10.255 -0.083 1.00 0.00 C ATOM 4 O TRP A 59 -2.756 -9.198 -0.304 1.00 0.00 O ATOM 5 CB TRP A 59 -1.050 -11.383 0.215 1.00 0.00 C ATOM 6 CG TRP A 59 -0.338 -12.580 0.808 1.00 0.00 C ATOM 7 CD1 TRP A 59 -0.251 -13.847 0.306 1.00 0.00 C ATOM 8 CD2 TRP A 59 0.359 -12.600 2.068 1.00 0.00 C ATOM 9 NE1 TRP A 59 0.425 -14.658 1.182 1.00 0.00 N ATOM 10 CE2 TRP A 59 0.803 -13.907 2.273 1.00 0.00 C ATOM 11 CE3 TRP A 59 0.604 -11.620 2.986 1.00 0.00 C ATOM 12 CZ2 TRP A 59 1.482 -14.256 3.404 1.00 0.00 C ATOM 13 CZ3 TRP A 59 1.272 -11.980 4.139 1.00 0.00 C ATOM 14 CH2 TRP A 59 1.704 -13.275 4.347 1.00 0.00 C ATOM 0 HA TRP A 59 -2.681 -11.386 1.578 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.876 -11.353 -0.861 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -0.629 -10.468 0.631 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -0.656 -14.165 -0.643 1.00 0.00 H new ATOM 0 HE1 TRP A 59 0.616 -15.651 1.048 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.287 -10.602 2.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 1.833 -15.266 3.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.461 -11.232 4.895 1.00 0.00 H new ATOM 0 HH2 TRP A 59 2.223 -13.523 5.261 1.00 0.00 H new ATOM 27 N ILE A 60 -4.667 -10.408 -0.320 1.00 0.00 N ATOM 28 CA ILE A 60 -5.462 -9.279 -0.739 1.00 0.00 C ATOM 29 C ILE A 60 -6.892 -9.377 -0.239 1.00 0.00 C ATOM 30 O ILE A 60 -7.864 -9.067 -0.927 1.00 0.00 O ATOM 31 CB ILE A 60 -5.344 -8.934 -2.211 1.00 0.00 C ATOM 32 CG1 ILE A 60 -5.410 -7.395 -2.435 1.00 0.00 C ATOM 33 CG2 ILE A 60 -6.213 -9.805 -3.144 1.00 0.00 C ATOM 34 CD1 ILE A 60 -6.322 -6.562 -1.515 1.00 0.00 C ATOM 0 H ILE A 60 -5.177 -11.286 -0.225 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.023 -8.411 -0.247 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.345 -9.222 -2.537 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.397 -7.002 -2.344 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.728 -7.222 -3.463 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.067 -9.489 -4.177 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.924 -10.851 -3.039 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.263 -9.691 -2.875 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.259 -5.511 -1.796 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.352 -6.904 -1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.001 -6.681 -0.480 1.00 0.00 H new ATOM 46 N ALA A 61 -7.059 -9.738 1.038 1.00 0.00 N ATOM 47 CA ALA A 61 -8.203 -9.262 1.767 1.00 0.00 C ATOM 48 C ALA A 61 -7.672 -8.177 2.643 1.00 0.00 C ATOM 49 O ALA A 61 -8.417 -7.344 3.156 1.00 0.00 O ATOM 50 CB ALA A 61 -8.815 -10.336 2.678 1.00 0.00 C ATOM 0 H ALA A 61 -6.427 -10.342 1.563 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.981 -8.948 1.071 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.675 -9.921 3.203 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.134 -11.186 2.075 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.071 -10.665 3.403 1.00 0.00 H new ATOM 56 N ARG A 62 -6.343 -8.208 2.845 1.00 0.00 N ATOM 57 CA ARG A 62 -5.687 -7.469 3.864 1.00 0.00 C ATOM 58 C ARG A 62 -5.369 -6.060 3.497 1.00 0.00 C ATOM 59 O ARG A 62 -5.494 -5.196 4.355 1.00 0.00 O ATOM 60 CB ARG A 62 -4.416 -8.182 4.319 1.00 0.00 C ATOM 61 CG ARG A 62 -3.475 -8.614 3.194 1.00 0.00 C ATOM 62 CD ARG A 62 -2.241 -9.354 3.718 1.00 0.00 C ATOM 63 NE ARG A 62 -2.657 -10.600 4.430 1.00 0.00 N ATOM 64 CZ ARG A 62 -1.989 -11.053 5.532 1.00 0.00 C ATOM 65 NH1 ARG A 62 -0.974 -10.328 6.085 1.00 0.00 N ATOM 66 NH2 ARG A 62 -2.337 -12.251 6.090 1.00 0.00 N ATOM 0 H ARG A 62 -5.708 -8.769 2.276 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.405 -7.417 4.683 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.871 -7.523 4.995 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.699 -9.064 4.894 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.014 -9.259 2.500 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.157 -7.736 2.632 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.577 -9.603 2.890 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.680 -8.709 4.394 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.460 -11.126 4.084 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.704 -9.434 5.675 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.485 -10.680 6.908 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.093 -12.803 5.684 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.841 -12.594 6.913 1.00 0.00 H new ATOM 80 N ILE A 63 -4.933 -5.780 2.248 1.00 0.00 N ATOM 81 CA ILE A 63 -4.583 -4.467 1.829 1.00 0.00 C ATOM 82 C ILE A 63 -5.822 -3.677 1.658 1.00 0.00 C ATOM 83 O ILE A 63 -5.821 -2.470 1.872 1.00 0.00 O ATOM 84 CB ILE A 63 -3.919 -4.455 0.484 1.00 0.00 C ATOM 85 CG1 ILE A 63 -3.210 -5.787 0.205 1.00 0.00 C ATOM 86 CG2 ILE A 63 -2.936 -3.293 0.515 1.00 0.00 C ATOM 87 CD1 ILE A 63 -2.323 -5.758 -1.043 1.00 0.00 C ATOM 0 H ILE A 63 -4.825 -6.487 1.521 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.908 -4.065 2.585 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.646 -4.332 -0.319 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.600 -6.052 1.068 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.959 -6.571 0.091 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.417 -3.230 -0.441 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.476 -2.364 0.697 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.210 -3.452 1.312 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.854 -6.732 -1.179 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.931 -5.524 -1.916 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.552 -4.997 -0.924 1.00 0.00 H new ATOM 99 N ASN A 64 -6.910 -4.364 1.269 1.00 0.00 N ATOM 100 CA ASN A 64 -8.193 -3.761 1.082 1.00 0.00 C ATOM 101 C ASN A 64 -8.625 -3.199 2.396 1.00 0.00 C ATOM 102 O ASN A 64 -9.106 -2.069 2.488 1.00 0.00 O ATOM 103 CB ASN A 64 -9.244 -4.809 0.671 1.00 0.00 C ATOM 104 CG ASN A 64 -10.479 -4.109 0.103 1.00 0.00 C ATOM 105 OD1 ASN A 64 -11.596 -4.295 0.601 1.00 0.00 O ATOM 106 ND2 ASN A 64 -10.261 -3.294 -0.972 1.00 0.00 N ATOM 0 H ASN A 64 -6.898 -5.366 1.079 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.115 -3.002 0.304 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.824 -5.486 -0.073 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.523 -5.415 1.533 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.042 -2.802 -1.405 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.317 -3.178 -1.341 1.00 0.00 H new ATOM 113 N ALA A 65 -8.424 -4.011 3.449 1.00 0.00 N ATOM 114 CA ALA A 65 -8.845 -3.689 4.780 1.00 0.00 C ATOM 115 C ALA A 65 -7.870 -2.777 5.462 1.00 0.00 C ATOM 116 O ALA A 65 -8.207 -2.179 6.481 1.00 0.00 O ATOM 117 CB ALA A 65 -8.964 -4.942 5.660 1.00 0.00 C ATOM 0 H ALA A 65 -7.957 -4.915 3.375 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.815 -3.205 4.669 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.286 -4.654 6.661 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.695 -5.623 5.226 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.996 -5.439 5.719 1.00 0.00 H new ATOM 123 N ALA A 66 -6.632 -2.654 4.940 1.00 0.00 N ATOM 124 CA ALA A 66 -5.620 -1.898 5.627 1.00 0.00 C ATOM 125 C ALA A 66 -5.765 -0.451 5.300 1.00 0.00 C ATOM 126 O ALA A 66 -5.655 0.407 6.175 1.00 0.00 O ATOM 127 CB ALA A 66 -4.194 -2.290 5.205 1.00 0.00 C ATOM 0 H ALA A 66 -6.333 -3.069 4.058 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.758 -2.106 6.688 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.473 -1.687 5.756 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.027 -3.345 5.423 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.070 -2.117 4.136 1.00 0.00 H new ATOM 133 N VAL A 67 -5.988 -0.157 4.006 1.00 0.00 N ATOM 134 CA VAL A 67 -5.776 1.160 3.483 1.00 0.00 C ATOM 135 C VAL A 67 -7.022 1.977 3.560 1.00 0.00 C ATOM 136 O VAL A 67 -7.015 3.147 3.181 1.00 0.00 O ATOM 137 CB VAL A 67 -5.313 1.147 2.046 1.00 0.00 C ATOM 138 CG1 VAL A 67 -3.997 0.361 1.954 1.00 0.00 C ATOM 139 CG2 VAL A 67 -6.404 0.581 1.120 1.00 0.00 C ATOM 0 H VAL A 67 -6.317 -0.834 3.318 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.994 1.600 4.102 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.127 2.166 1.707 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.654 0.346 0.920 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.243 0.839 2.579 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.159 -0.661 2.298 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.045 0.583 0.091 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.642 -0.440 1.419 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.299 1.198 1.193 1.00 0.00 H new ATOM 149 N ARG A 68 -8.120 1.381 4.072 1.00 0.00 N ATOM 150 CA ARG A 68 -9.408 2.019 4.146 1.00 0.00 C ATOM 151 C ARG A 68 -9.411 3.088 5.200 1.00 0.00 C ATOM 152 O ARG A 68 -10.316 3.920 5.240 1.00 0.00 O ATOM 153 CB ARG A 68 -10.533 1.005 4.443 1.00 0.00 C ATOM 154 CG ARG A 68 -10.403 0.315 5.808 1.00 0.00 C ATOM 155 CD ARG A 68 -11.307 -0.913 5.942 1.00 0.00 C ATOM 156 NE ARG A 68 -12.732 -0.476 5.947 1.00 0.00 N ATOM 157 CZ ARG A 68 -13.729 -1.392 6.122 1.00 0.00 C ATOM 158 NH1 ARG A 68 -13.430 -2.716 6.263 1.00 0.00 N ATOM 159 NH2 ARG A 68 -15.032 -0.984 6.157 1.00 0.00 N ATOM 0 H ARG A 68 -8.114 0.431 4.444 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.598 2.468 3.171 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -11.493 1.518 4.396 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.540 0.245 3.662 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -9.366 0.015 5.961 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -10.648 1.028 6.595 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.129 -1.602 5.117 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.076 -1.451 6.862 1.00 0.00 H new ATOM 0 HE ARG A 68 -12.963 0.509 5.819 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -12.458 -3.025 6.238 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -14.178 -3.397 6.394 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -15.260 0.005 6.052 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -15.777 -1.668 6.288 1.00 0.00 H new ATOM 173 N ALA A 69 -8.371 3.098 6.061 1.00 0.00 N ATOM 174 CA ALA A 69 -8.186 4.095 7.072 1.00 0.00 C ATOM 175 C ALA A 69 -7.845 5.408 6.439 1.00 0.00 C ATOM 176 O ALA A 69 -8.253 6.455 6.938 1.00 0.00 O ATOM 177 CB ALA A 69 -7.010 3.756 8.001 1.00 0.00 C ATOM 0 H ALA A 69 -7.637 2.389 6.051 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.117 4.138 7.637 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.904 4.537 8.753 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.198 2.802 8.493 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.092 3.688 7.417 1.00 0.00 H new ATOM 183 N TYR A 70 -7.077 5.380 5.330 1.00 0.00 N ATOM 184 CA TYR A 70 -6.569 6.582 4.746 1.00 0.00 C ATOM 185 C TYR A 70 -7.642 7.223 3.937 1.00 0.00 C ATOM 186 O TYR A 70 -7.947 8.400 4.122 1.00 0.00 O ATOM 187 CB TYR A 70 -5.411 6.326 3.769 1.00 0.00 C ATOM 188 CG TYR A 70 -4.262 5.688 4.473 1.00 0.00 C ATOM 189 CD1 TYR A 70 -3.617 6.325 5.516 1.00 0.00 C ATOM 190 CD2 TYR A 70 -3.807 4.451 4.054 1.00 0.00 C ATOM 191 CE1 TYR A 70 -2.541 5.725 6.141 1.00 0.00 C ATOM 192 CE2 TYR A 70 -2.732 3.850 4.676 1.00 0.00 C ATOM 193 CZ TYR A 70 -2.099 4.489 5.722 1.00 0.00 C ATOM 194 OH TYR A 70 -0.994 3.887 6.356 1.00 0.00 O ATOM 0 H TYR A 70 -6.810 4.526 4.841 1.00 0.00 H new ATOM 0 HA TYR A 70 -6.223 7.201 5.573 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.749 5.683 2.956 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.092 7.267 3.320 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.956 7.297 5.844 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -4.298 3.951 3.232 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.045 6.226 6.960 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.387 2.882 4.345 1.00 0.00 H new ATOM 0 HH TYR A 70 -0.842 2.998 5.974 1.00 0.00 H new ATOM 204 N GLY A 71 -8.224 6.450 3.001 1.00 0.00 N ATOM 205 CA GLY A 71 -9.088 7.013 2.008 1.00 0.00 C ATOM 206 C GLY A 71 -8.790 6.307 0.728 1.00 0.00 C ATOM 207 O GLY A 71 -9.545 6.418 -0.237 1.00 0.00 O ATOM 0 H GLY A 71 -8.097 5.440 2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.134 6.883 2.287 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.915 8.085 1.908 1.00 0.00 H new ATOM 211 N LEU A 72 -7.677 5.541 0.707 1.00 0.00 N ATOM 212 CA LEU A 72 -7.397 4.647 -0.381 1.00 0.00 C ATOM 213 C LEU A 72 -8.322 3.511 -0.161 1.00 0.00 C ATOM 214 O LEU A 72 -8.758 3.266 0.961 1.00 0.00 O ATOM 215 CB LEU A 72 -5.963 4.081 -0.389 1.00 0.00 C ATOM 216 CG LEU A 72 -4.819 5.063 -0.746 1.00 0.00 C ATOM 217 CD1 LEU A 72 -5.126 5.888 -2.002 1.00 0.00 C ATOM 218 CD2 LEU A 72 -4.378 5.961 0.421 1.00 0.00 C ATOM 0 H LEU A 72 -6.972 5.541 1.444 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.513 5.182 -1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.757 3.666 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.930 3.252 -1.096 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.965 4.423 -0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.293 6.560 -2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.271 5.219 -2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.032 6.472 -1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.574 6.619 0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.223 6.561 0.758 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.023 5.340 1.244 1.00 0.00 H new ATOM 230 N ASN A 73 -8.688 2.836 -1.262 1.00 0.00 N ATOM 231 CA ASN A 73 -9.623 1.762 -1.198 1.00 0.00 C ATOM 232 C ASN A 73 -9.018 0.542 -1.800 1.00 0.00 C ATOM 233 O ASN A 73 -9.749 -0.407 -2.075 1.00 0.00 O ATOM 234 CB ASN A 73 -10.979 2.080 -1.865 1.00 0.00 C ATOM 235 CG ASN A 73 -10.838 2.232 -3.381 1.00 0.00 C ATOM 236 OD1 ASN A 73 -10.105 3.082 -3.896 1.00 0.00 O ATOM 237 ND2 ASN A 73 -11.608 1.364 -4.109 1.00 0.00 N ATOM 0 H ASN A 73 -8.335 3.035 -2.198 1.00 0.00 H new ATOM 0 HA ASN A 73 -9.843 1.595 -0.144 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.690 1.284 -1.643 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -11.386 2.999 -1.443 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.593 1.401 -5.128 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -12.196 0.681 -3.632 1.00 0.00 H new ATOM 244 N TYR A 74 -7.675 0.578 -2.006 1.00 0.00 N ATOM 245 CA TYR A 74 -6.843 -0.405 -2.673 1.00 0.00 C ATOM 246 C TYR A 74 -6.686 0.064 -4.084 1.00 0.00 C ATOM 247 O TYR A 74 -5.608 -0.067 -4.654 1.00 0.00 O ATOM 248 CB TYR A 74 -7.267 -1.914 -2.600 1.00 0.00 C ATOM 249 CG TYR A 74 -6.557 -2.809 -3.577 1.00 0.00 C ATOM 250 CD1 TYR A 74 -7.088 -2.948 -4.851 1.00 0.00 C ATOM 251 CD2 TYR A 74 -5.471 -3.602 -3.229 1.00 0.00 C ATOM 252 CE1 TYR A 74 -6.515 -3.793 -5.778 1.00 0.00 C ATOM 253 CE2 TYR A 74 -4.889 -4.440 -4.161 1.00 0.00 C ATOM 254 CZ TYR A 74 -5.405 -4.532 -5.436 1.00 0.00 C ATOM 255 OH TYR A 74 -4.810 -5.389 -6.384 1.00 0.00 O ATOM 0 H TYR A 74 -7.121 1.368 -1.675 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.906 -0.443 -2.118 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.083 -2.281 -1.590 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.340 -1.986 -2.775 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.968 -2.383 -5.122 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.079 -3.563 -2.223 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.936 -3.875 -6.769 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.024 -5.027 -3.889 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.950 -5.028 -7.284 1.00 0.00 H new ATOM 265 N SER A 75 -7.759 0.605 -4.689 1.00 0.00 N ATOM 266 CA SER A 75 -7.793 0.805 -6.112 1.00 0.00 C ATOM 267 C SER A 75 -7.078 2.053 -6.489 1.00 0.00 C ATOM 268 O SER A 75 -6.484 2.132 -7.563 1.00 0.00 O ATOM 269 CB SER A 75 -9.215 0.896 -6.678 1.00 0.00 C ATOM 270 OG SER A 75 -9.931 -0.289 -6.364 1.00 0.00 O ATOM 0 H SER A 75 -8.602 0.904 -4.199 1.00 0.00 H new ATOM 0 HA SER A 75 -7.305 -0.072 -6.536 1.00 0.00 H new ATOM 0 HB2 SER A 75 -9.728 1.763 -6.262 1.00 0.00 H new ATOM 0 HB3 SER A 75 -9.179 1.035 -7.758 1.00 0.00 H new ATOM 0 HG SER A 75 -10.840 -0.227 -6.725 1.00 0.00 H new ATOM 276 N THR A 76 -7.137 3.072 -5.616 1.00 0.00 N ATOM 277 CA THR A 76 -6.535 4.331 -5.917 1.00 0.00 C ATOM 278 C THR A 76 -5.106 4.267 -5.475 1.00 0.00 C ATOM 279 O THR A 76 -4.243 4.993 -5.980 1.00 0.00 O ATOM 280 CB THR A 76 -7.256 5.465 -5.247 1.00 0.00 C ATOM 281 OG1 THR A 76 -7.674 5.074 -3.950 1.00 0.00 O ATOM 282 CG2 THR A 76 -8.501 5.800 -6.086 1.00 0.00 C ATOM 0 H THR A 76 -7.598 3.025 -4.707 1.00 0.00 H new ATOM 0 HA THR A 76 -6.594 4.522 -6.989 1.00 0.00 H new ATOM 0 HB THR A 76 -6.594 6.327 -5.166 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.516 4.576 -4.014 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.043 6.622 -5.620 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.195 6.091 -7.091 1.00 0.00 H new ATOM 0 HG23 THR A 76 -9.148 4.925 -6.143 1.00 0.00 H new ATOM 290 N PHE A 77 -4.834 3.334 -4.539 1.00 0.00 N ATOM 291 CA PHE A 77 -3.515 3.086 -4.047 1.00 0.00 C ATOM 292 C PHE A 77 -2.741 2.561 -5.205 1.00 0.00 C ATOM 293 O PHE A 77 -1.619 3.001 -5.441 1.00 0.00 O ATOM 294 CB PHE A 77 -3.530 2.015 -2.931 1.00 0.00 C ATOM 295 CG PHE A 77 -2.328 2.000 -2.025 1.00 0.00 C ATOM 296 CD1 PHE A 77 -1.436 3.051 -1.866 1.00 0.00 C ATOM 297 CD2 PHE A 77 -2.139 0.864 -1.259 1.00 0.00 C ATOM 298 CE1 PHE A 77 -0.376 2.949 -0.984 1.00 0.00 C ATOM 299 CE2 PHE A 77 -1.081 0.757 -0.379 1.00 0.00 C ATOM 300 CZ PHE A 77 -0.195 1.803 -0.239 1.00 0.00 C ATOM 0 H PHE A 77 -5.548 2.741 -4.117 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.084 3.996 -3.629 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.420 2.165 -2.321 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.624 1.034 -3.396 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.571 3.958 -2.437 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.834 0.043 -1.351 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.315 3.772 -0.878 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.948 -0.145 0.199 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.634 1.726 0.449 1.00 0.00 H new ATOM 310 N ILE A 78 -3.379 1.637 -5.959 1.00 0.00 N ATOM 311 CA ILE A 78 -2.875 0.934 -7.097 1.00 0.00 C ATOM 312 C ILE A 78 -2.379 1.886 -8.142 1.00 0.00 C ATOM 313 O ILE A 78 -1.324 1.659 -8.733 1.00 0.00 O ATOM 314 CB ILE A 78 -3.969 0.020 -7.612 1.00 0.00 C ATOM 315 CG1 ILE A 78 -3.598 -1.458 -7.434 1.00 0.00 C ATOM 316 CG2 ILE A 78 -4.358 0.236 -9.091 1.00 0.00 C ATOM 317 CD1 ILE A 78 -3.206 -1.927 -6.030 1.00 0.00 C ATOM 0 H ILE A 78 -4.338 1.362 -5.745 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.014 0.327 -6.818 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.833 0.288 -7.003 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.445 -2.059 -7.765 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.769 -1.679 -8.106 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.147 -0.464 -9.366 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.714 1.257 -9.228 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.487 0.068 -9.725 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.970 -2.991 -6.054 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.333 -1.369 -5.691 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.036 -1.755 -5.344 1.00 0.00 H new ATOM 329 N ASN A 79 -3.134 2.979 -8.379 1.00 0.00 N ATOM 330 CA ASN A 79 -2.783 3.901 -9.427 1.00 0.00 C ATOM 331 C ASN A 79 -1.569 4.661 -9.064 1.00 0.00 C ATOM 332 O ASN A 79 -0.654 4.842 -9.864 1.00 0.00 O ATOM 333 CB ASN A 79 -3.893 4.896 -9.857 1.00 0.00 C ATOM 334 CG ASN A 79 -4.340 6.064 -8.954 1.00 0.00 C ATOM 335 OD1 ASN A 79 -3.590 6.975 -8.596 1.00 0.00 O ATOM 336 ND2 ASN A 79 -5.682 6.075 -8.689 1.00 0.00 N ATOM 0 H ASN A 79 -3.975 3.224 -7.856 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.612 3.261 -10.293 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.573 5.335 -10.802 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.783 4.302 -10.066 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.095 6.856 -8.179 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.270 5.302 -9.002 1.00 0.00 H new ATOM 343 N GLY A 80 -1.579 5.119 -7.814 1.00 0.00 N ATOM 344 CA GLY A 80 -0.521 5.950 -7.296 1.00 0.00 C ATOM 345 C GLY A 80 0.733 5.186 -6.996 1.00 0.00 C ATOM 346 O GLY A 80 1.764 5.792 -6.712 1.00 0.00 O ATOM 0 H GLY A 80 -2.321 4.920 -7.143 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.297 6.735 -8.018 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.866 6.442 -6.387 1.00 0.00 H new ATOM 350 N LEU A 81 0.695 3.840 -7.031 1.00 0.00 N ATOM 351 CA LEU A 81 1.921 3.081 -6.987 1.00 0.00 C ATOM 352 C LEU A 81 2.754 3.296 -8.202 1.00 0.00 C ATOM 353 O LEU A 81 3.966 3.133 -8.148 1.00 0.00 O ATOM 354 CB LEU A 81 1.810 1.560 -6.991 1.00 0.00 C ATOM 355 CG LEU A 81 0.791 0.958 -6.025 1.00 0.00 C ATOM 356 CD1 LEU A 81 0.729 -0.564 -6.227 1.00 0.00 C ATOM 357 CD2 LEU A 81 1.066 1.363 -4.565 1.00 0.00 C ATOM 0 H LEU A 81 -0.158 3.283 -7.088 1.00 0.00 H new ATOM 0 HA LEU A 81 2.325 3.445 -6.042 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.558 1.237 -8.001 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.790 1.144 -6.759 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.194 1.366 -6.251 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.002 -0.993 -5.538 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.430 -0.783 -7.252 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.711 -0.997 -6.035 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.316 0.912 -3.915 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.057 1.016 -4.272 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.020 2.448 -4.474 1.00 0.00 H new ATOM 369 N LYS A 82 2.115 3.602 -9.348 1.00 0.00 N ATOM 370 CA LYS A 82 2.809 3.740 -10.595 1.00 0.00 C ATOM 371 C LYS A 82 3.504 5.059 -10.575 1.00 0.00 C ATOM 372 O LYS A 82 4.578 5.219 -11.155 1.00 0.00 O ATOM 373 CB LYS A 82 1.843 3.685 -11.792 1.00 0.00 C ATOM 374 CG LYS A 82 2.552 3.520 -13.144 1.00 0.00 C ATOM 375 CD LYS A 82 1.593 3.423 -14.343 1.00 0.00 C ATOM 376 CE LYS A 82 0.662 2.203 -14.322 1.00 0.00 C ATOM 377 NZ LYS A 82 1.445 0.948 -14.282 1.00 0.00 N ATOM 0 H LYS A 82 1.109 3.755 -9.411 1.00 0.00 H new ATOM 0 HA LYS A 82 3.515 2.917 -10.710 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.149 2.856 -11.651 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.249 4.599 -11.811 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.224 4.365 -13.296 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.170 2.623 -13.112 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.985 4.327 -14.378 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.181 3.399 -15.260 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.005 2.255 -13.454 1.00 0.00 H new ATOM 0 HE3 LYS A 82 0.024 2.211 -15.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.809 0.137 -14.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.160 0.961 -15.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.917 0.863 -13.359 1.00 0.00 H new ATOM 391 N LYS A 83 2.899 6.024 -9.856 1.00 0.00 N ATOM 392 CA LYS A 83 3.459 7.325 -9.655 1.00 0.00 C ATOM 393 C LYS A 83 4.694 7.194 -8.813 1.00 0.00 C ATOM 394 O LYS A 83 5.671 7.906 -9.035 1.00 0.00 O ATOM 395 CB LYS A 83 2.469 8.262 -8.929 1.00 0.00 C ATOM 396 CG LYS A 83 1.230 8.632 -9.758 1.00 0.00 C ATOM 397 CD LYS A 83 1.309 9.986 -10.483 1.00 0.00 C ATOM 398 CE LYS A 83 2.337 10.058 -11.615 1.00 0.00 C ATOM 399 NZ LYS A 83 2.258 11.377 -12.280 1.00 0.00 N ATOM 0 H LYS A 83 1.995 5.895 -9.402 1.00 0.00 H new ATOM 0 HA LYS A 83 3.688 7.752 -10.631 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.145 7.784 -8.005 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.991 9.177 -8.648 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.061 7.850 -10.499 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.361 8.640 -9.100 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.326 10.220 -10.891 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.543 10.759 -9.751 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.340 9.900 -11.218 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.151 9.264 -12.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.958 11.421 -13.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.304 11.511 -12.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.456 12.127 -11.588 1.00 0.00 H new ATOM 413 N ALA A 84 4.673 6.266 -7.833 1.00 0.00 N ATOM 414 CA ALA A 84 5.778 6.038 -6.947 1.00 0.00 C ATOM 415 C ALA A 84 6.886 5.337 -7.671 1.00 0.00 C ATOM 416 O ALA A 84 7.950 5.912 -7.896 1.00 0.00 O ATOM 417 CB ALA A 84 5.374 5.179 -5.742 1.00 0.00 C ATOM 0 H ALA A 84 3.871 5.662 -7.653 1.00 0.00 H new ATOM 0 HA ALA A 84 6.108 7.014 -6.593 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.239 5.029 -5.096 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.586 5.684 -5.183 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.010 4.212 -6.090 1.00 0.00 H new ATOM 423 N GLY A 85 6.642 4.067 -8.039 1.00 0.00 N ATOM 424 CA GLY A 85 7.604 3.212 -8.673 1.00 0.00 C ATOM 425 C GLY A 85 7.803 2.034 -7.780 1.00 0.00 C ATOM 426 O GLY A 85 8.910 1.511 -7.660 1.00 0.00 O ATOM 0 H GLY A 85 5.740 3.615 -7.890 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.250 2.896 -9.654 1.00 0.00 H new ATOM 0 HA3 GLY A 85 8.545 3.740 -8.829 1.00 0.00 H new ATOM 430 N ILE A 86 6.707 1.605 -7.130 1.00 0.00 N ATOM 431 CA ILE A 86 6.689 0.525 -6.202 1.00 0.00 C ATOM 432 C ILE A 86 6.017 -0.569 -6.974 1.00 0.00 C ATOM 433 O ILE A 86 6.665 -1.560 -7.310 1.00 0.00 O ATOM 434 CB ILE A 86 5.964 0.944 -4.933 1.00 0.00 C ATOM 435 CG1 ILE A 86 6.876 1.944 -4.180 1.00 0.00 C ATOM 436 CG2 ILE A 86 5.611 -0.283 -4.075 1.00 0.00 C ATOM 437 CD1 ILE A 86 6.290 2.466 -2.867 1.00 0.00 C ATOM 0 H ILE A 86 5.791 2.034 -7.260 1.00 0.00 H new ATOM 0 HA ILE A 86 7.667 0.200 -5.846 1.00 0.00 H new ATOM 0 HB ILE A 86 5.017 1.428 -5.170 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.831 1.461 -3.971 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.084 2.791 -4.834 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.093 0.041 -3.172 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.965 -0.951 -4.644 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.525 -0.809 -3.800 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.993 3.160 -2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.350 2.981 -3.067 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.109 1.630 -2.192 1.00 0.00 H new ATOM 449 N GLU A 87 4.720 -0.368 -7.310 1.00 0.00 N ATOM 450 CA GLU A 87 3.904 -1.243 -8.122 1.00 0.00 C ATOM 451 C GLU A 87 3.942 -2.640 -7.601 1.00 0.00 C ATOM 452 O GLU A 87 4.268 -3.576 -8.328 1.00 0.00 O ATOM 453 CB GLU A 87 4.265 -1.210 -9.619 1.00 0.00 C ATOM 454 CG GLU A 87 4.110 0.193 -10.216 1.00 0.00 C ATOM 455 CD GLU A 87 4.448 0.144 -11.698 1.00 0.00 C ATOM 456 OE1 GLU A 87 3.761 -0.608 -12.440 1.00 0.00 O ATOM 457 OE2 GLU A 87 5.393 0.868 -12.110 1.00 0.00 O ATOM 0 H GLU A 87 4.208 0.456 -6.996 1.00 0.00 H new ATOM 0 HA GLU A 87 2.886 -0.860 -8.047 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.292 -1.549 -9.752 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.627 -1.907 -10.161 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.090 0.551 -10.075 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.768 0.895 -9.703 1.00 0.00 H new ATOM 464 N LEU A 88 3.648 -2.776 -6.291 1.00 0.00 N ATOM 465 CA LEU A 88 3.991 -3.963 -5.573 1.00 0.00 C ATOM 466 C LEU A 88 2.794 -4.518 -4.847 1.00 0.00 C ATOM 467 O LEU A 88 2.753 -5.721 -4.583 1.00 0.00 O ATOM 468 CB LEU A 88 5.152 -3.637 -4.618 1.00 0.00 C ATOM 469 CG LEU A 88 5.948 -4.842 -4.082 1.00 0.00 C ATOM 470 CD1 LEU A 88 6.748 -5.535 -5.199 1.00 0.00 C ATOM 471 CD2 LEU A 88 6.887 -4.412 -2.941 1.00 0.00 C ATOM 0 H LEU A 88 3.174 -2.065 -5.734 1.00 0.00 H new ATOM 0 HA LEU A 88 4.314 -4.740 -6.265 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.844 -2.971 -5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.752 -3.085 -3.768 1.00 0.00 H new ATOM 0 HG LEU A 88 5.227 -5.560 -3.691 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.297 -6.380 -4.783 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.064 -5.890 -5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.451 -4.826 -5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.439 -5.279 -2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.588 -3.663 -3.310 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.300 -3.989 -2.126 1.00 0.00 H new ATOM 483 N ASP A 89 1.780 -3.675 -4.515 1.00 0.00 N ATOM 484 CA ASP A 89 0.595 -4.197 -3.869 1.00 0.00 C ATOM 485 C ASP A 89 -0.160 -4.899 -4.923 1.00 0.00 C ATOM 486 O ASP A 89 -0.210 -4.465 -6.075 1.00 0.00 O ATOM 487 CB ASP A 89 -0.510 -3.249 -3.331 1.00 0.00 C ATOM 488 CG ASP A 89 -0.167 -1.773 -3.200 1.00 0.00 C ATOM 489 OD1 ASP A 89 0.992 -1.409 -2.882 1.00 0.00 O ATOM 490 OD2 ASP A 89 -1.120 -0.975 -3.408 1.00 0.00 O ATOM 0 H ASP A 89 1.777 -2.669 -4.686 1.00 0.00 H new ATOM 0 HA ASP A 89 1.021 -4.718 -3.012 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.376 -3.336 -3.987 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -0.816 -3.612 -2.350 1.00 0.00 H new ATOM 495 N ARG A 90 -0.775 -6.005 -4.495 1.00 0.00 N ATOM 496 CA ARG A 90 -1.602 -6.831 -5.304 1.00 0.00 C ATOM 497 C ARG A 90 -1.802 -7.950 -4.371 1.00 0.00 C ATOM 498 O ARG A 90 -2.883 -8.527 -4.300 1.00 0.00 O ATOM 499 CB ARG A 90 -0.896 -7.419 -6.548 1.00 0.00 C ATOM 500 CG ARG A 90 -1.661 -8.556 -7.247 1.00 0.00 C ATOM 501 CD ARG A 90 -0.964 -9.035 -8.524 1.00 0.00 C ATOM 502 NE ARG A 90 0.414 -9.475 -8.149 1.00 0.00 N ATOM 503 CZ ARG A 90 1.421 -9.512 -9.069 1.00 0.00 C ATOM 504 NH1 ARG A 90 1.166 -9.275 -10.388 1.00 0.00 N ATOM 505 NH2 ARG A 90 2.697 -9.786 -8.664 1.00 0.00 N ATOM 0 H ARG A 90 -0.692 -6.341 -3.536 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.469 -6.293 -5.688 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.729 -6.617 -7.267 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.085 -7.789 -6.250 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.767 -9.395 -6.559 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.667 -8.215 -7.492 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.518 -9.857 -8.977 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -0.923 -8.233 -9.261 1.00 0.00 H new ATOM 0 HE ARG A 90 0.606 -9.753 -7.187 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.215 -9.068 -10.694 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.926 -9.305 -11.068 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.893 -9.962 -7.678 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.454 -9.815 -9.347 1.00 0.00 H new ATOM 519 N LYS A 91 -0.708 -8.260 -3.649 1.00 0.00 N ATOM 520 CA LYS A 91 -0.496 -9.409 -2.871 1.00 0.00 C ATOM 521 C LYS A 91 0.948 -9.204 -2.628 1.00 0.00 C ATOM 522 O LYS A 91 1.703 -8.922 -3.558 1.00 0.00 O ATOM 523 CB LYS A 91 -0.642 -10.753 -3.621 1.00 0.00 C ATOM 524 CG LYS A 91 -1.995 -11.444 -3.402 1.00 0.00 C ATOM 525 CD LYS A 91 -2.476 -12.262 -4.600 1.00 0.00 C ATOM 526 CE LYS A 91 -3.858 -12.864 -4.342 1.00 0.00 C ATOM 527 NZ LYS A 91 -4.331 -13.592 -5.537 1.00 0.00 N ATOM 0 H LYS A 91 0.096 -7.633 -3.620 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.193 -9.493 -2.037 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.502 -10.579 -4.688 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.154 -11.425 -3.301 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.921 -12.099 -2.534 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.744 -10.688 -3.167 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.513 -11.627 -5.485 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.763 -13.059 -4.809 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.814 -13.541 -3.489 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.564 -12.074 -4.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.271 -13.996 -5.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.391 -12.936 -6.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.664 -14.357 -5.764 1.00 0.00 H new ATOM 541 N ILE A 92 1.326 -9.340 -1.349 1.00 0.00 N ATOM 542 CA ILE A 92 2.677 -9.413 -0.892 1.00 0.00 C ATOM 543 C ILE A 92 3.325 -8.073 -1.053 1.00 0.00 C ATOM 544 O ILE A 92 4.098 -7.789 -1.968 1.00 0.00 O ATOM 545 CB ILE A 92 3.429 -10.570 -1.492 1.00 0.00 C ATOM 546 CG1 ILE A 92 2.578 -11.862 -1.376 1.00 0.00 C ATOM 547 CG2 ILE A 92 4.842 -10.661 -0.880 1.00 0.00 C ATOM 548 CD1 ILE A 92 3.281 -13.070 -0.754 1.00 0.00 C ATOM 0 H ILE A 92 0.650 -9.403 -0.588 1.00 0.00 H new ATOM 0 HA ILE A 92 2.694 -9.642 0.174 1.00 0.00 H new ATOM 0 HB ILE A 92 3.591 -10.419 -2.559 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.691 -11.638 -0.784 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.235 -12.139 -2.373 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.376 -11.502 -1.322 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.386 -9.738 -1.082 1.00 0.00 H new ATOM 0 HG23 ILE A 92 4.763 -10.807 0.197 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.593 -13.915 -0.723 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.152 -13.333 -1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.599 -12.824 0.259 1.00 0.00 H new ATOM 560 N LEU A 93 2.951 -7.235 -0.079 1.00 0.00 N ATOM 561 CA LEU A 93 3.431 -5.927 0.244 1.00 0.00 C ATOM 562 C LEU A 93 2.386 -5.604 1.202 1.00 0.00 C ATOM 563 O LEU A 93 2.575 -4.936 2.211 1.00 0.00 O ATOM 564 CB LEU A 93 3.222 -4.935 -0.852 1.00 0.00 C ATOM 565 CG LEU A 93 2.921 -3.460 -0.466 1.00 0.00 C ATOM 566 CD1 LEU A 93 3.606 -2.503 -1.446 1.00 0.00 C ATOM 567 CD2 LEU A 93 1.432 -3.088 -0.285 1.00 0.00 C ATOM 0 H LEU A 93 2.213 -7.513 0.568 1.00 0.00 H new ATOM 0 HA LEU A 93 4.488 -5.902 0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.114 -4.939 -1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.398 -5.291 -1.470 1.00 0.00 H new ATOM 0 HG LEU A 93 3.340 -3.352 0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.386 -1.474 -1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.684 -2.665 -1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.236 -2.689 -2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.350 -2.035 -0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.896 -3.268 -1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.998 -3.698 0.507 1.00 0.00 H new ATOM 579 N ALA A 94 1.226 -6.156 0.838 1.00 0.00 N ATOM 580 CA ALA A 94 0.151 -6.547 1.672 1.00 0.00 C ATOM 581 C ALA A 94 0.627 -7.086 2.955 1.00 0.00 C ATOM 582 O ALA A 94 0.036 -6.815 3.994 1.00 0.00 O ATOM 583 CB ALA A 94 -0.444 -7.784 1.039 1.00 0.00 C ATOM 0 H ALA A 94 1.025 -6.346 -0.144 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.503 -5.685 1.801 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -1.282 -8.134 1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.793 -7.546 0.034 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.314 -8.565 0.984 1.00 0.00 H new ATOM 589 N ASP A 95 1.703 -7.893 2.860 1.00 0.00 N ATOM 590 CA ASP A 95 2.358 -8.491 3.947 1.00 0.00 C ATOM 591 C ASP A 95 2.734 -7.377 4.832 1.00 0.00 C ATOM 592 O ASP A 95 2.211 -7.270 5.935 1.00 0.00 O ATOM 593 CB ASP A 95 3.543 -9.384 3.486 1.00 0.00 C ATOM 594 CG ASP A 95 4.842 -8.729 3.002 1.00 0.00 C ATOM 595 OD1 ASP A 95 4.917 -8.342 1.809 1.00 0.00 O ATOM 596 OD2 ASP A 95 5.788 -8.641 3.828 1.00 0.00 O ATOM 0 H ASP A 95 2.127 -8.131 1.963 1.00 0.00 H new ATOM 0 HA ASP A 95 1.723 -9.192 4.489 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.799 -10.041 4.317 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.178 -10.019 2.679 1.00 0.00 H new ATOM 601 N MET A 96 3.585 -6.479 4.327 1.00 0.00 N ATOM 602 CA MET A 96 4.148 -5.463 5.168 1.00 0.00 C ATOM 603 C MET A 96 3.094 -4.501 5.659 1.00 0.00 C ATOM 604 O MET A 96 3.257 -3.904 6.718 1.00 0.00 O ATOM 605 CB MET A 96 5.395 -4.796 4.548 1.00 0.00 C ATOM 606 CG MET A 96 5.386 -3.281 4.343 1.00 0.00 C ATOM 607 SD MET A 96 4.743 -2.699 2.759 1.00 0.00 S ATOM 608 CE MET A 96 6.146 -3.252 1.745 1.00 0.00 C ATOM 0 H MET A 96 3.885 -6.448 3.353 1.00 0.00 H new ATOM 0 HA MET A 96 4.531 -5.951 6.064 1.00 0.00 H new ATOM 0 HB2 MET A 96 6.250 -5.040 5.179 1.00 0.00 H new ATOM 0 HB3 MET A 96 5.572 -5.261 3.578 1.00 0.00 H new ATOM 0 HG2 MET A 96 4.795 -2.830 5.140 1.00 0.00 H new ATOM 0 HG3 MET A 96 6.406 -2.913 4.456 1.00 0.00 H new ATOM 0 HE1 MET A 96 6.651 -2.385 1.319 1.00 0.00 H new ATOM 0 HE2 MET A 96 6.846 -3.810 2.366 1.00 0.00 H new ATOM 0 HE3 MET A 96 5.784 -3.893 0.941 1.00 0.00 H new ATOM 618 N ALA A 97 1.957 -4.370 4.944 1.00 0.00 N ATOM 619 CA ALA A 97 0.871 -3.507 5.321 1.00 0.00 C ATOM 620 C ALA A 97 0.311 -3.860 6.664 1.00 0.00 C ATOM 621 O ALA A 97 -0.177 -2.984 7.376 1.00 0.00 O ATOM 622 CB ALA A 97 -0.286 -3.522 4.310 1.00 0.00 C ATOM 0 H ALA A 97 1.787 -4.880 4.077 1.00 0.00 H new ATOM 0 HA ALA A 97 1.309 -2.509 5.348 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.075 -2.851 4.650 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.077 -3.191 3.337 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -0.682 -4.534 4.225 1.00 0.00 H new ATOM 628 N VAL A 98 0.390 -5.151 7.042 1.00 0.00 N ATOM 629 CA VAL A 98 -0.110 -5.610 8.304 1.00 0.00 C ATOM 630 C VAL A 98 1.036 -5.681 9.269 1.00 0.00 C ATOM 631 O VAL A 98 1.015 -5.044 10.321 1.00 0.00 O ATOM 632 CB VAL A 98 -0.750 -6.984 8.236 1.00 0.00 C ATOM 633 CG1 VAL A 98 -1.594 -7.189 9.508 1.00 0.00 C ATOM 634 CG2 VAL A 98 -1.587 -7.091 6.949 1.00 0.00 C ATOM 0 H VAL A 98 0.805 -5.884 6.466 1.00 0.00 H new ATOM 0 HA VAL A 98 -0.880 -4.905 8.618 1.00 0.00 H new ATOM 0 HB VAL A 98 0.002 -7.773 8.197 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.063 -8.172 9.479 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.952 -7.120 10.386 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.365 -6.420 9.561 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.049 -8.077 6.896 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.364 -6.326 6.956 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.942 -6.945 6.082 1.00 0.00 H new ATOM 644 N ARG A 99 2.049 -6.504 8.928 1.00 0.00 N ATOM 645 CA ARG A 99 2.963 -7.039 9.897 1.00 0.00 C ATOM 646 C ARG A 99 4.159 -6.167 10.130 1.00 0.00 C ATOM 647 O ARG A 99 4.755 -6.218 11.206 1.00 0.00 O ATOM 648 CB ARG A 99 3.460 -8.449 9.517 1.00 0.00 C ATOM 649 CG ARG A 99 3.952 -8.648 8.073 1.00 0.00 C ATOM 650 CD ARG A 99 3.181 -9.708 7.257 1.00 0.00 C ATOM 651 NE ARG A 99 3.499 -11.048 7.840 1.00 0.00 N ATOM 652 CZ ARG A 99 2.555 -11.975 8.179 1.00 0.00 C ATOM 653 NH1 ARG A 99 1.225 -11.727 8.010 1.00 0.00 N ATOM 654 NH2 ARG A 99 2.955 -13.172 8.702 1.00 0.00 N ATOM 0 H ARG A 99 2.236 -6.802 7.971 1.00 0.00 H new ATOM 0 HA ARG A 99 2.382 -7.088 10.818 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.273 -8.715 10.192 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.650 -9.155 9.700 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.890 -7.694 7.550 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.005 -8.928 8.100 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.109 -9.517 7.298 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.471 -9.669 6.207 1.00 0.00 H new ATOM 0 HE ARG A 99 4.479 -11.284 7.994 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.918 -10.835 7.623 1.00 0.00 H new ATOM 0 HH12 ARG A 99 0.537 -12.434 8.270 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.948 -13.364 8.835 1.00 0.00 H new ATOM 0 HH22 ARG A 99 2.261 -13.873 8.960 1.00 0.00 H new ATOM 668 N ASP A 100 4.525 -5.345 9.130 1.00 0.00 N ATOM 669 CA ASP A 100 5.637 -4.429 9.200 1.00 0.00 C ATOM 670 C ASP A 100 5.184 -3.014 8.936 1.00 0.00 C ATOM 671 O ASP A 100 5.371 -2.522 7.829 1.00 0.00 O ATOM 672 CB ASP A 100 6.686 -4.759 8.126 1.00 0.00 C ATOM 673 CG ASP A 100 8.053 -4.162 8.447 1.00 0.00 C ATOM 674 OD1 ASP A 100 8.197 -3.496 9.505 1.00 0.00 O ATOM 675 OD2 ASP A 100 8.984 -4.373 7.623 1.00 0.00 O ATOM 0 H ASP A 100 4.033 -5.312 8.237 1.00 0.00 H new ATOM 0 HA ASP A 100 6.059 -4.524 10.201 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.778 -5.841 8.032 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.345 -4.383 7.161 1.00 0.00 H new ATOM 680 N PRO A 101 4.613 -2.302 9.872 1.00 0.00 N ATOM 681 CA PRO A 101 4.046 -1.003 9.622 1.00 0.00 C ATOM 682 C PRO A 101 5.128 0.033 9.524 1.00 0.00 C ATOM 683 O PRO A 101 4.810 1.176 9.207 1.00 0.00 O ATOM 684 CB PRO A 101 3.123 -0.723 10.813 1.00 0.00 C ATOM 685 CG PRO A 101 3.522 -1.741 11.887 1.00 0.00 C ATOM 686 CD PRO A 101 4.140 -2.889 11.098 1.00 0.00 C ATOM 0 HA PRO A 101 3.500 -0.971 8.679 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.247 0.298 11.174 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.076 -0.837 10.533 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.233 -1.316 12.595 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.658 -2.072 12.463 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.957 -3.351 11.652 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.406 -3.670 10.901 1.00 0.00 H new ATOM 694 N GLN A 102 6.400 -0.334 9.779 1.00 0.00 N ATOM 695 CA GLN A 102 7.504 0.568 9.649 1.00 0.00 C ATOM 696 C GLN A 102 7.748 0.751 8.186 1.00 0.00 C ATOM 697 O GLN A 102 7.840 1.878 7.702 1.00 0.00 O ATOM 698 CB GLN A 102 8.811 0.029 10.269 1.00 0.00 C ATOM 699 CG GLN A 102 8.876 0.107 11.806 1.00 0.00 C ATOM 700 CD GLN A 102 7.858 -0.830 12.465 1.00 0.00 C ATOM 701 OE1 GLN A 102 6.877 -0.372 13.063 1.00 0.00 O ATOM 702 NE2 GLN A 102 8.114 -2.168 12.356 1.00 0.00 N ATOM 0 H GLN A 102 6.665 -1.272 10.080 1.00 0.00 H new ATOM 0 HA GLN A 102 7.247 1.489 10.172 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.939 -1.010 9.966 1.00 0.00 H new ATOM 0 HB3 GLN A 102 9.651 0.587 9.855 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.880 -0.153 12.141 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.688 1.132 12.127 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.939 -2.490 11.850 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.480 -2.845 12.780 1.00 0.00 H new ATOM 711 N ALA A 103 7.845 -0.376 7.450 1.00 0.00 N ATOM 712 CA ALA A 103 8.106 -0.363 6.040 1.00 0.00 C ATOM 713 C ALA A 103 6.850 0.010 5.312 1.00 0.00 C ATOM 714 O ALA A 103 6.903 0.664 4.268 1.00 0.00 O ATOM 715 CB ALA A 103 8.587 -1.728 5.536 1.00 0.00 C ATOM 0 H ALA A 103 7.740 -1.312 7.841 1.00 0.00 H new ATOM 0 HA ALA A 103 8.895 0.365 5.851 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.773 -1.675 4.463 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.508 -2.002 6.051 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.823 -2.479 5.735 1.00 0.00 H new ATOM 721 N PHE A 104 5.677 -0.385 5.852 1.00 0.00 N ATOM 722 CA PHE A 104 4.441 0.096 5.284 1.00 0.00 C ATOM 723 C PHE A 104 4.336 1.593 5.263 1.00 0.00 C ATOM 724 O PHE A 104 3.838 2.144 4.286 1.00 0.00 O ATOM 725 CB PHE A 104 3.183 -0.402 6.003 1.00 0.00 C ATOM 726 CG PHE A 104 1.950 -0.063 5.227 1.00 0.00 C ATOM 727 CD1 PHE A 104 1.836 -0.343 3.874 1.00 0.00 C ATOM 728 CD2 PHE A 104 0.860 0.466 5.894 1.00 0.00 C ATOM 729 CE1 PHE A 104 0.664 -0.084 3.197 1.00 0.00 C ATOM 730 CE2 PHE A 104 -0.319 0.714 5.220 1.00 0.00 C ATOM 731 CZ PHE A 104 -0.414 0.444 3.872 1.00 0.00 C ATOM 0 H PHE A 104 5.579 -1.012 6.650 1.00 0.00 H new ATOM 0 HA PHE A 104 4.482 -0.308 4.272 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.243 -1.481 6.143 1.00 0.00 H new ATOM 0 HB3 PHE A 104 3.126 0.045 6.995 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.675 -0.769 3.344 1.00 0.00 H new ATOM 0 HD2 PHE A 104 0.932 0.686 6.949 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.591 -0.294 2.140 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.168 1.120 5.750 1.00 0.00 H new ATOM 0 HZ PHE A 104 -1.334 0.647 3.345 1.00 0.00 H new ATOM 741 N GLU A 105 4.803 2.300 6.314 1.00 0.00 N ATOM 742 CA GLU A 105 4.705 3.735 6.322 1.00 0.00 C ATOM 743 C GLU A 105 5.614 4.367 5.309 1.00 0.00 C ATOM 744 O GLU A 105 5.361 5.495 4.898 1.00 0.00 O ATOM 745 CB GLU A 105 5.044 4.380 7.680 1.00 0.00 C ATOM 746 CG GLU A 105 3.892 4.314 8.693 1.00 0.00 C ATOM 747 CD GLU A 105 2.706 5.109 8.161 1.00 0.00 C ATOM 748 OE1 GLU A 105 2.858 6.341 7.945 1.00 0.00 O ATOM 749 OE2 GLU A 105 1.627 4.488 7.962 1.00 0.00 O ATOM 0 H GLU A 105 5.239 1.892 7.141 1.00 0.00 H new ATOM 0 HA GLU A 105 3.657 3.920 6.087 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.917 3.883 8.102 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.317 5.423 7.520 1.00 0.00 H new ATOM 0 HG2 GLU A 105 3.602 3.277 8.864 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.213 4.718 9.653 1.00 0.00 H new ATOM 756 N GLN A 106 6.672 3.661 4.865 1.00 0.00 N ATOM 757 CA GLN A 106 7.540 4.165 3.836 1.00 0.00 C ATOM 758 C GLN A 106 6.860 4.108 2.508 1.00 0.00 C ATOM 759 O GLN A 106 7.025 5.009 1.688 1.00 0.00 O ATOM 760 CB GLN A 106 8.806 3.315 3.645 1.00 0.00 C ATOM 761 CG GLN A 106 9.792 3.382 4.815 1.00 0.00 C ATOM 762 CD GLN A 106 10.250 4.827 5.003 1.00 0.00 C ATOM 763 OE1 GLN A 106 10.830 5.441 4.097 1.00 0.00 O ATOM 764 NE2 GLN A 106 9.974 5.374 6.225 1.00 0.00 N ATOM 0 H GLN A 106 6.929 2.739 5.218 1.00 0.00 H new ATOM 0 HA GLN A 106 7.793 5.176 4.156 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.513 2.277 3.491 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.314 3.640 2.737 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.319 3.016 5.726 1.00 0.00 H new ATOM 0 HG3 GLN A 106 10.650 2.738 4.621 1.00 0.00 H new ATOM 0 HE21 GLN A 106 9.493 4.821 6.934 1.00 0.00 H new ATOM 0 HE22 GLN A 106 10.249 6.335 6.427 1.00 0.00 H new ATOM 773 N VAL A 107 6.095 3.023 2.276 1.00 0.00 N ATOM 774 CA VAL A 107 5.408 2.798 1.026 1.00 0.00 C ATOM 775 C VAL A 107 4.380 3.863 0.862 1.00 0.00 C ATOM 776 O VAL A 107 4.256 4.462 -0.204 1.00 0.00 O ATOM 777 CB VAL A 107 4.712 1.450 0.978 1.00 0.00 C ATOM 778 CG1 VAL A 107 3.703 1.366 -0.187 1.00 0.00 C ATOM 779 CG2 VAL A 107 5.798 0.367 0.854 1.00 0.00 C ATOM 0 H VAL A 107 5.947 2.285 2.965 1.00 0.00 H new ATOM 0 HA VAL A 107 6.150 2.817 0.228 1.00 0.00 H new ATOM 0 HB VAL A 107 4.133 1.303 1.890 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.227 0.386 -0.186 1.00 0.00 H new ATOM 0 HG12 VAL A 107 2.943 2.139 -0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.225 1.515 -1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.329 -0.616 0.817 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.372 0.530 -0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 107 6.464 0.419 1.715 1.00 0.00 H new ATOM 789 N VAL A 108 3.626 4.108 1.941 1.00 0.00 N ATOM 790 CA VAL A 108 2.525 5.018 1.973 1.00 0.00 C ATOM 791 C VAL A 108 3.026 6.410 1.769 1.00 0.00 C ATOM 792 O VAL A 108 2.376 7.202 1.094 1.00 0.00 O ATOM 793 CB VAL A 108 1.845 4.880 3.313 1.00 0.00 C ATOM 794 CG1 VAL A 108 0.989 6.103 3.661 1.00 0.00 C ATOM 795 CG2 VAL A 108 1.015 3.588 3.258 1.00 0.00 C ATOM 0 H VAL A 108 3.790 3.650 2.838 1.00 0.00 H new ATOM 0 HA VAL A 108 1.811 4.796 1.179 1.00 0.00 H new ATOM 0 HB VAL A 108 2.586 4.824 4.110 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.521 5.955 4.634 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.620 6.991 3.693 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.217 6.234 2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.502 3.444 4.209 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.280 3.662 2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.674 2.740 3.069 1.00 0.00 H new ATOM 805 N ASN A 109 4.201 6.729 2.338 1.00 0.00 N ATOM 806 CA ASN A 109 4.761 8.051 2.275 1.00 0.00 C ATOM 807 C ASN A 109 5.258 8.345 0.888 1.00 0.00 C ATOM 808 O ASN A 109 5.234 9.493 0.445 1.00 0.00 O ATOM 809 CB ASN A 109 5.946 8.208 3.249 1.00 0.00 C ATOM 810 CG ASN A 109 6.491 9.636 3.198 1.00 0.00 C ATOM 811 OD1 ASN A 109 5.776 10.603 3.483 1.00 0.00 O ATOM 812 ND2 ASN A 109 7.802 9.747 2.827 1.00 0.00 N ATOM 0 H ASN A 109 4.776 6.061 2.852 1.00 0.00 H new ATOM 0 HA ASN A 109 3.968 8.746 2.552 1.00 0.00 H new ATOM 0 HB2 ASN A 109 5.626 7.970 4.263 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.734 7.501 2.990 1.00 0.00 H new ATOM 0 HD21 ASN A 109 8.241 10.666 2.774 1.00 0.00 H new ATOM 0 HD22 ASN A 109 8.341 8.911 2.603 1.00 0.00 H new ATOM 819 N LYS A 110 5.719 7.310 0.160 1.00 0.00 N ATOM 820 CA LYS A 110 6.215 7.503 -1.170 1.00 0.00 C ATOM 821 C LYS A 110 5.058 7.823 -2.071 1.00 0.00 C ATOM 822 O LYS A 110 5.137 8.744 -2.878 1.00 0.00 O ATOM 823 CB LYS A 110 6.943 6.251 -1.702 1.00 0.00 C ATOM 824 CG LYS A 110 7.535 6.391 -3.114 1.00 0.00 C ATOM 825 CD LYS A 110 8.663 7.420 -3.251 1.00 0.00 C ATOM 826 CE LYS A 110 9.202 7.487 -4.684 1.00 0.00 C ATOM 827 NZ LYS A 110 10.294 8.478 -4.783 1.00 0.00 N ATOM 0 H LYS A 110 5.749 6.345 0.489 1.00 0.00 H new ATOM 0 HA LYS A 110 6.935 8.321 -1.151 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.747 5.997 -1.011 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.244 5.415 -1.699 1.00 0.00 H new ATOM 0 HG2 LYS A 110 7.912 5.418 -3.430 1.00 0.00 H new ATOM 0 HG3 LYS A 110 6.733 6.661 -3.801 1.00 0.00 H new ATOM 0 HD2 LYS A 110 8.296 8.403 -2.954 1.00 0.00 H new ATOM 0 HD3 LYS A 110 9.474 7.163 -2.569 1.00 0.00 H new ATOM 0 HE2 LYS A 110 9.566 6.505 -4.988 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.397 7.755 -5.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 10.647 8.509 -5.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 9.936 9.417 -4.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 11.068 8.206 -4.144 1.00 0.00 H new ATOM 841 N VAL A 111 3.954 7.062 -1.932 1.00 0.00 N ATOM 842 CA VAL A 111 2.782 7.144 -2.765 1.00 0.00 C ATOM 843 C VAL A 111 2.011 8.377 -2.467 1.00 0.00 C ATOM 844 O VAL A 111 1.358 8.898 -3.365 1.00 0.00 O ATOM 845 CB VAL A 111 1.913 5.909 -2.578 1.00 0.00 C ATOM 846 CG1 VAL A 111 0.560 6.049 -3.301 1.00 0.00 C ATOM 847 CG2 VAL A 111 2.684 4.693 -3.129 1.00 0.00 C ATOM 0 H VAL A 111 3.871 6.353 -1.203 1.00 0.00 H new ATOM 0 HA VAL A 111 3.101 7.188 -3.806 1.00 0.00 H new ATOM 0 HB VAL A 111 1.698 5.782 -1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.032 5.147 -3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.022 6.910 -2.903 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.731 6.189 -4.368 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.081 3.794 -3.006 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.896 4.846 -4.187 1.00 0.00 H new ATOM 0 HG23 VAL A 111 3.621 4.579 -2.584 1.00 0.00 H new ATOM 857 N LYS A 112 2.069 8.907 -1.236 1.00 0.00 N ATOM 858 CA LYS A 112 1.232 10.027 -0.941 1.00 0.00 C ATOM 859 C LYS A 112 1.779 11.229 -1.611 1.00 0.00 C ATOM 860 O LYS A 112 1.019 12.022 -2.142 1.00 0.00 O ATOM 861 CB LYS A 112 0.989 10.267 0.571 1.00 0.00 C ATOM 862 CG LYS A 112 2.159 10.806 1.410 1.00 0.00 C ATOM 863 CD LYS A 112 2.213 12.337 1.531 1.00 0.00 C ATOM 864 CE LYS A 112 3.492 12.832 2.207 1.00 0.00 C ATOM 865 NZ LYS A 112 3.530 14.309 2.202 1.00 0.00 N ATOM 0 H LYS A 112 2.665 8.581 -0.475 1.00 0.00 H new ATOM 0 HA LYS A 112 0.241 9.800 -1.334 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.157 10.965 0.670 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.668 9.323 1.012 1.00 0.00 H new ATOM 0 HG2 LYS A 112 2.098 10.378 2.411 1.00 0.00 H new ATOM 0 HG3 LYS A 112 3.094 10.457 0.971 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.138 12.779 0.537 1.00 0.00 H new ATOM 0 HD3 LYS A 112 1.350 12.683 2.099 1.00 0.00 H new ATOM 0 HE2 LYS A 112 3.537 12.463 3.232 1.00 0.00 H new ATOM 0 HE3 LYS A 112 4.364 12.436 1.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 4.403 14.635 2.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 3.507 14.654 1.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 2.706 14.679 2.718 1.00 0.00 H new ATOM 879 N GLU A 113 3.105 11.389 -1.634 1.00 0.00 N ATOM 880 CA GLU A 113 3.671 12.540 -2.269 1.00 0.00 C ATOM 881 C GLU A 113 3.567 12.390 -3.727 1.00 0.00 C ATOM 882 O GLU A 113 3.147 13.316 -4.406 1.00 0.00 O ATOM 883 CB GLU A 113 5.160 12.697 -2.001 1.00 0.00 C ATOM 884 CG GLU A 113 5.769 13.970 -2.603 1.00 0.00 C ATOM 885 CD GLU A 113 5.083 15.189 -1.999 1.00 0.00 C ATOM 886 OE1 GLU A 113 5.157 15.359 -0.753 1.00 0.00 O ATOM 887 OE2 GLU A 113 4.468 15.964 -2.779 1.00 0.00 O ATOM 0 H GLU A 113 3.778 10.741 -1.225 1.00 0.00 H new ATOM 0 HA GLU A 113 3.125 13.396 -1.872 1.00 0.00 H new ATOM 0 HB2 GLU A 113 5.327 12.700 -0.924 1.00 0.00 H new ATOM 0 HB3 GLU A 113 5.685 11.830 -2.402 1.00 0.00 H new ATOM 0 HG2 GLU A 113 6.840 14.005 -2.403 1.00 0.00 H new ATOM 0 HG3 GLU A 113 5.647 13.969 -3.686 1.00 0.00 H new ATOM 894 N ALA A 114 3.986 11.214 -4.217 1.00 0.00 N ATOM 895 CA ALA A 114 4.116 10.945 -5.620 1.00 0.00 C ATOM 896 C ALA A 114 2.795 11.073 -6.297 1.00 0.00 C ATOM 897 O ALA A 114 2.733 11.498 -7.449 1.00 0.00 O ATOM 898 CB ALA A 114 4.630 9.530 -5.912 1.00 0.00 C ATOM 0 H ALA A 114 4.243 10.424 -3.625 1.00 0.00 H new ATOM 0 HA ALA A 114 4.836 11.673 -5.994 1.00 0.00 H new ATOM 0 HB1 ALA A 114 4.707 9.386 -6.990 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.612 9.398 -5.457 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.937 8.798 -5.497 1.00 0.00 H new ATOM 904 N LEU A 115 1.711 10.711 -5.588 1.00 0.00 N ATOM 905 CA LEU A 115 0.394 10.812 -6.142 1.00 0.00 C ATOM 906 C LEU A 115 -0.284 11.996 -5.558 1.00 0.00 C ATOM 907 O LEU A 115 -0.511 12.985 -6.251 1.00 0.00 O ATOM 908 CB LEU A 115 -0.507 9.589 -5.892 1.00 0.00 C ATOM 909 CG LEU A 115 -1.938 9.803 -6.438 1.00 0.00 C ATOM 910 CD1 LEU A 115 -2.018 9.791 -7.974 1.00 0.00 C ATOM 911 CD2 LEU A 115 -2.933 8.807 -5.819 1.00 0.00 C ATOM 0 H LEU A 115 1.744 10.350 -4.635 1.00 0.00 H new ATOM 0 HA LEU A 115 0.534 10.889 -7.220 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.066 8.711 -6.364 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -0.554 9.386 -4.822 1.00 0.00 H new ATOM 0 HG LEU A 115 -2.225 10.809 -6.130 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -3.051 9.947 -8.286 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.393 10.588 -8.377 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.667 8.830 -8.349 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -3.928 8.987 -6.226 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -2.623 7.789 -6.055 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -2.954 8.938 -4.737 1.00 0.00 H new ATOM 923 N GLN A 116 -0.736 11.814 -4.304 1.00 0.00 N ATOM 924 CA GLN A 116 -1.952 12.429 -3.825 1.00 0.00 C ATOM 925 C GLN A 116 -1.835 13.911 -3.793 1.00 0.00 C ATOM 926 O GLN A 116 -2.597 14.626 -4.443 1.00 0.00 O ATOM 927 CB GLN A 116 -2.336 11.930 -2.419 1.00 0.00 C ATOM 928 CG GLN A 116 -3.687 12.455 -1.923 1.00 0.00 C ATOM 929 CD GLN A 116 -3.883 11.935 -0.502 1.00 0.00 C ATOM 930 OE1 GLN A 116 -4.431 10.849 -0.287 1.00 0.00 O ATOM 931 NE2 GLN A 116 -3.406 12.752 0.488 1.00 0.00 N ATOM 0 H GLN A 116 -0.260 11.237 -3.610 1.00 0.00 H new ATOM 0 HA GLN A 116 -2.734 12.141 -4.527 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -2.360 10.840 -2.425 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -1.560 12.228 -1.714 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -3.705 13.545 -1.939 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -4.494 12.113 -2.572 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -2.962 13.639 0.248 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -3.494 12.474 1.465 1.00 0.00 H new ATOM 940 N VAL A 117 -0.850 14.387 -3.024 1.00 0.00 N ATOM 941 CA VAL A 117 -0.628 15.778 -2.793 1.00 0.00 C ATOM 942 C VAL A 117 0.180 16.293 -3.949 1.00 0.00 C ATOM 943 O VAL A 117 0.157 17.501 -4.196 1.00 0.00 O ATOM 944 CB VAL A 117 0.012 16.015 -1.433 1.00 0.00 C ATOM 945 CG1 VAL A 117 0.991 14.870 -1.174 1.00 0.00 C ATOM 946 CG2 VAL A 117 0.670 17.402 -1.308 1.00 0.00 C ATOM 0 H VAL A 117 -0.182 13.784 -2.544 1.00 0.00 H new ATOM 0 HA VAL A 117 -1.565 16.333 -2.749 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.761 16.020 -0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.468 15.011 -0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 117 0.452 13.922 -1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 117 1.752 14.859 -1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 117 1.108 17.509 -0.316 1.00 0.00 H new ATOM 0 HG22 VAL A 117 1.451 17.504 -2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -0.082 18.176 -1.458 1.00 0.00 H new ATOM 956 N GLN A 118 0.865 15.404 -4.725 1.00 0.00 N ATOM 957 CA GLN A 118 1.446 15.887 -5.960 1.00 0.00 C ATOM 958 C GLN A 118 0.289 16.464 -6.789 1.00 0.00 C ATOM 959 O GLN A 118 0.425 17.628 -7.250 1.00 0.00 O ATOM 960 CB GLN A 118 2.199 14.821 -6.803 1.00 0.00 C ATOM 961 CG GLN A 118 1.925 14.723 -8.318 1.00 0.00 C ATOM 962 CD GLN A 118 2.474 15.953 -9.047 1.00 0.00 C ATOM 963 OE1 GLN A 118 3.513 16.511 -8.677 1.00 0.00 O ATOM 964 NE2 GLN A 118 1.734 16.370 -10.120 1.00 0.00 N ATOM 965 OXT GLN A 118 -0.749 15.767 -6.944 1.00 0.00 O ATOM 0 H GLN A 118 1.010 14.416 -4.516 1.00 0.00 H new ATOM 0 HA GLN A 118 2.209 16.620 -5.699 1.00 0.00 H new ATOM 0 HB2 GLN A 118 3.267 14.997 -6.674 1.00 0.00 H new ATOM 0 HB3 GLN A 118 1.982 13.846 -6.367 1.00 0.00 H new ATOM 0 HG2 GLN A 118 2.386 13.820 -8.719 1.00 0.00 H new ATOM 0 HG3 GLN A 118 0.853 14.638 -8.494 1.00 0.00 H new ATOM 0 HE21 GLN A 118 0.884 15.869 -10.379 1.00 0.00 H new ATOM 0 HE22 GLN A 118 2.033 17.182 -10.661 1.00 0.00 H new TER 974 GLN A 118