USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 550 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 141 CYS SG : rot 180:sc= -0.558 USER MOD Set 1.2: A 145 GLN : amide:sc= -0.156 X(o=-0.71,f=-0.56) USER MOD Set 2.1: A 130 HIS : no HE2:sc= -1.86! K(o=-1.4!,f=-0.85) USER MOD Set 2.2: A 131 THR OG1 : rot 70:sc= 0.49 USER MOD Set 2.3: A 134 GLN : amide:sc=-0.00617 K(o=-1.4,f=-0.85) USER MOD Set 3.1: A 80 LYS NZ :NH3+ -177:sc= 1.27 (180deg=0) USER MOD Set 3.2: A 83 GLN : amide:sc= 0.805 K(o=2.1,f=-4.8) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -175:sc= 1.23 (180deg=1.15) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.0351 X(o=-0.035,f=-0.32) USER MOD Single : A 89 LYS NZ :NH3+ 167:sc= 1.3 (180deg=1.09) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot -25:sc= 0.0665 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0.0851 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 TYR OH : rot 30:sc= -0.0171 USER MOD Single : A 122 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.18) USER MOD Single : A 135 MET CE :methyl 141:sc= -1.6 (180deg=-3.81!) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 52 N TRP A 64 1.341 5.571 4.084 1.00 0.00 N ATOM 53 CA TRP A 64 2.437 5.705 3.140 1.00 0.00 C ATOM 54 C TRP A 64 2.228 7.016 2.385 1.00 0.00 C ATOM 55 O TRP A 64 1.522 7.901 2.867 1.00 0.00 O ATOM 56 CB TRP A 64 2.555 4.456 2.248 1.00 0.00 C ATOM 57 CG TRP A 64 1.327 3.925 1.574 1.00 0.00 C ATOM 58 CD1 TRP A 64 0.568 2.924 2.063 1.00 0.00 C ATOM 59 CD2 TRP A 64 0.767 4.229 0.260 1.00 0.00 C ATOM 60 NE1 TRP A 64 -0.441 2.608 1.183 1.00 0.00 N ATOM 61 CE2 TRP A 64 -0.376 3.397 0.056 1.00 0.00 C ATOM 62 CE3 TRP A 64 1.131 5.082 -0.805 1.00 0.00 C ATOM 63 CZ2 TRP A 64 -1.152 3.461 -1.108 1.00 0.00 C ATOM 64 CZ3 TRP A 64 0.373 5.137 -1.987 1.00 0.00 C ATOM 65 CH2 TRP A 64 -0.777 4.342 -2.134 1.00 0.00 C ATOM 0 HA TRP A 64 3.403 5.759 3.643 1.00 0.00 H new ATOM 0 HB2 TRP A 64 3.288 4.675 1.471 1.00 0.00 H new ATOM 0 HB3 TRP A 64 2.968 3.653 2.859 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.730 2.438 3.014 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -1.143 1.886 1.344 1.00 0.00 H new ATOM 0 HE3 TRP A 64 2.009 5.704 -0.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.029 2.840 -1.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 0.676 5.795 -2.788 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -1.370 4.409 -3.034 1.00 0.00 H new ATOM 76 N GLY A 65 2.885 7.181 1.238 1.00 0.00 N ATOM 77 CA GLY A 65 2.738 8.333 0.367 1.00 0.00 C ATOM 78 C GLY A 65 4.110 8.744 -0.106 1.00 0.00 C ATOM 79 O GLY A 65 4.524 8.323 -1.184 1.00 0.00 O ATOM 0 H GLY A 65 3.551 6.495 0.884 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.100 8.088 -0.483 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.258 9.154 0.900 1.00 0.00 H new ATOM 83 N ARG A 66 4.850 9.454 0.753 1.00 0.00 N ATOM 84 CA ARG A 66 6.213 9.938 0.496 1.00 0.00 C ATOM 85 C ARG A 66 7.063 8.883 -0.203 1.00 0.00 C ATOM 86 O ARG A 66 7.641 9.164 -1.247 1.00 0.00 O ATOM 87 CB ARG A 66 6.886 10.348 1.814 1.00 0.00 C ATOM 88 CG ARG A 66 6.224 11.546 2.510 1.00 0.00 C ATOM 89 CD ARG A 66 6.381 11.461 4.031 1.00 0.00 C ATOM 90 NE ARG A 66 5.513 10.418 4.618 1.00 0.00 N ATOM 91 CZ ARG A 66 5.829 9.221 5.125 1.00 0.00 C ATOM 92 NH1 ARG A 66 7.088 8.822 5.144 1.00 0.00 N ATOM 93 NH2 ARG A 66 4.888 8.410 5.600 1.00 0.00 N ATOM 0 H ARG A 66 4.506 9.717 1.677 1.00 0.00 H new ATOM 0 HA ARG A 66 6.135 10.803 -0.163 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.878 9.496 2.494 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.931 10.588 1.617 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.670 12.472 2.147 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.165 11.580 2.253 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.421 11.248 4.277 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.139 12.427 4.475 1.00 0.00 H new ATOM 0 HE ARG A 66 4.519 10.646 4.640 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.820 9.427 4.772 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.328 7.909 5.531 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.910 8.698 5.581 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.145 7.500 5.983 1.00 0.00 H new ATOM 107 N LEU A 67 7.126 7.664 0.343 1.00 0.00 N ATOM 108 CA LEU A 67 7.906 6.586 -0.250 1.00 0.00 C ATOM 109 C LEU A 67 7.529 6.302 -1.702 1.00 0.00 C ATOM 110 O LEU A 67 8.425 6.170 -2.534 1.00 0.00 O ATOM 111 CB LEU A 67 7.885 5.301 0.585 1.00 0.00 C ATOM 112 CG LEU A 67 6.540 4.659 0.969 1.00 0.00 C ATOM 113 CD1 LEU A 67 6.762 3.161 1.170 1.00 0.00 C ATOM 114 CD2 LEU A 67 6.016 5.224 2.291 1.00 0.00 C ATOM 0 H LEU A 67 6.640 7.404 1.201 1.00 0.00 H new ATOM 0 HA LEU A 67 8.932 6.953 -0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.460 4.551 0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.423 5.506 1.510 1.00 0.00 H new ATOM 0 HG LEU A 67 5.821 4.865 0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.819 2.687 1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.135 2.721 0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.491 3.005 1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.065 4.752 2.537 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.737 5.023 3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.873 6.300 2.195 1.00 0.00 H new ATOM 126 N ALA A 68 6.237 6.234 -2.031 1.00 0.00 N ATOM 127 CA ALA A 68 5.772 5.868 -3.364 1.00 0.00 C ATOM 128 C ALA A 68 6.189 6.907 -4.423 1.00 0.00 C ATOM 129 O ALA A 68 6.132 6.596 -5.610 1.00 0.00 O ATOM 130 CB ALA A 68 4.249 5.655 -3.348 1.00 0.00 C ATOM 0 H ALA A 68 5.483 6.433 -1.374 1.00 0.00 H new ATOM 0 HA ALA A 68 6.250 4.930 -3.647 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.909 5.382 -4.347 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.001 4.856 -2.649 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.756 6.576 -3.036 1.00 0.00 H new ATOM 136 N CYS A 69 6.622 8.108 -4.013 1.00 0.00 N ATOM 137 CA CYS A 69 7.251 9.114 -4.863 1.00 0.00 C ATOM 138 C CYS A 69 8.611 8.592 -5.352 1.00 0.00 C ATOM 139 O CYS A 69 8.859 8.476 -6.545 1.00 0.00 O ATOM 140 CB CYS A 69 7.404 10.409 -4.040 1.00 0.00 C ATOM 141 SG CYS A 69 7.807 11.861 -5.043 1.00 0.00 S ATOM 0 H CYS A 69 6.538 8.411 -3.043 1.00 0.00 H new ATOM 0 HA CYS A 69 6.641 9.322 -5.742 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.477 10.597 -3.499 1.00 0.00 H new ATOM 0 HB3 CYS A 69 8.185 10.265 -3.294 1.00 0.00 H new ATOM 0 HG CYS A 69 7.915 12.903 -4.274 1.00 0.00 H new ATOM 147 N TYR A 70 9.521 8.267 -4.432 1.00 0.00 N ATOM 148 CA TYR A 70 10.877 7.834 -4.775 1.00 0.00 C ATOM 149 C TYR A 70 10.847 6.498 -5.517 1.00 0.00 C ATOM 150 O TYR A 70 11.613 6.283 -6.456 1.00 0.00 O ATOM 151 CB TYR A 70 11.727 7.719 -3.503 1.00 0.00 C ATOM 152 CG TYR A 70 11.902 9.037 -2.776 1.00 0.00 C ATOM 153 CD1 TYR A 70 10.892 9.511 -1.917 1.00 0.00 C ATOM 154 CD2 TYR A 70 13.038 9.828 -3.021 1.00 0.00 C ATOM 155 CE1 TYR A 70 10.980 10.795 -1.354 1.00 0.00 C ATOM 156 CE2 TYR A 70 13.153 11.094 -2.428 1.00 0.00 C ATOM 157 CZ TYR A 70 12.120 11.589 -1.605 1.00 0.00 C ATOM 158 OH TYR A 70 12.241 12.821 -1.051 1.00 0.00 O ATOM 0 H TYR A 70 9.339 8.296 -3.429 1.00 0.00 H new ATOM 0 HA TYR A 70 11.324 8.579 -5.434 1.00 0.00 H new ATOM 0 HB2 TYR A 70 11.263 6.999 -2.829 1.00 0.00 H new ATOM 0 HB3 TYR A 70 12.708 7.324 -3.765 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.043 8.883 -1.689 1.00 0.00 H new ATOM 0 HD2 TYR A 70 13.823 9.461 -3.666 1.00 0.00 H new ATOM 0 HE1 TYR A 70 10.181 11.172 -0.733 1.00 0.00 H new ATOM 0 HE2 TYR A 70 14.035 11.692 -2.602 1.00 0.00 H new ATOM 0 HH TYR A 70 13.089 13.224 -1.331 1.00 0.00 H new ATOM 168 N LEU A 71 9.936 5.617 -5.102 1.00 0.00 N ATOM 169 CA LEU A 71 9.705 4.295 -5.673 1.00 0.00 C ATOM 170 C LEU A 71 9.111 4.365 -7.087 1.00 0.00 C ATOM 171 O LEU A 71 8.879 3.318 -7.686 1.00 0.00 O ATOM 172 CB LEU A 71 8.763 3.516 -4.740 1.00 0.00 C ATOM 173 CG LEU A 71 9.395 2.830 -3.515 1.00 0.00 C ATOM 174 CD1 LEU A 71 10.538 3.577 -2.827 1.00 0.00 C ATOM 175 CD2 LEU A 71 8.300 2.478 -2.502 1.00 0.00 C ATOM 0 H LEU A 71 9.311 5.818 -4.321 1.00 0.00 H new ATOM 0 HA LEU A 71 10.665 3.787 -5.761 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.996 4.203 -4.384 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.257 2.753 -5.331 1.00 0.00 H new ATOM 0 HG LEU A 71 9.874 1.936 -3.915 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.897 2.992 -1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.352 3.728 -3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.180 4.544 -2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.749 1.992 -1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.791 3.388 -2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.580 1.802 -2.964 1.00 0.00 H new ATOM 187 N GLU A 72 8.835 5.558 -7.624 1.00 0.00 N ATOM 188 CA GLU A 72 8.341 5.753 -8.970 1.00 0.00 C ATOM 189 C GLU A 72 9.477 6.198 -9.906 1.00 0.00 C ATOM 190 O GLU A 72 9.345 6.009 -11.120 1.00 0.00 O ATOM 191 CB GLU A 72 7.205 6.783 -8.864 1.00 0.00 C ATOM 192 CG GLU A 72 6.582 7.217 -10.183 1.00 0.00 C ATOM 193 CD GLU A 72 5.655 8.414 -9.959 1.00 0.00 C ATOM 194 OE1 GLU A 72 4.549 8.266 -9.387 1.00 0.00 O ATOM 195 OE2 GLU A 72 6.033 9.533 -10.366 1.00 0.00 O ATOM 0 H GLU A 72 8.956 6.432 -7.112 1.00 0.00 H new ATOM 0 HA GLU A 72 7.959 4.830 -9.407 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.420 6.367 -8.232 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.588 7.668 -8.356 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.365 7.482 -10.894 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.022 6.390 -10.619 1.00 0.00 H new ATOM 202 N PHE A 73 10.594 6.748 -9.392 1.00 0.00 N ATOM 203 CA PHE A 73 11.704 7.146 -10.255 1.00 0.00 C ATOM 204 C PHE A 73 12.269 5.886 -10.918 1.00 0.00 C ATOM 205 O PHE A 73 12.365 5.826 -12.145 1.00 0.00 O ATOM 206 CB PHE A 73 12.769 7.977 -9.494 1.00 0.00 C ATOM 207 CG PHE A 73 14.172 7.388 -9.500 1.00 0.00 C ATOM 208 CD1 PHE A 73 14.972 7.453 -10.659 1.00 0.00 C ATOM 209 CD2 PHE A 73 14.610 6.630 -8.401 1.00 0.00 C ATOM 210 CE1 PHE A 73 16.188 6.747 -10.724 1.00 0.00 C ATOM 211 CE2 PHE A 73 15.805 5.898 -8.487 1.00 0.00 C ATOM 212 CZ PHE A 73 16.600 5.953 -9.640 1.00 0.00 C ATOM 0 H PHE A 73 10.744 6.922 -8.398 1.00 0.00 H new ATOM 0 HA PHE A 73 11.348 7.818 -11.035 1.00 0.00 H new ATOM 0 HB2 PHE A 73 12.809 8.975 -9.931 1.00 0.00 H new ATOM 0 HB3 PHE A 73 12.445 8.094 -8.460 1.00 0.00 H new ATOM 0 HD1 PHE A 73 14.650 8.048 -11.501 1.00 0.00 H new ATOM 0 HD2 PHE A 73 14.028 6.610 -7.491 1.00 0.00 H new ATOM 0 HE1 PHE A 73 16.805 6.816 -11.608 1.00 0.00 H new ATOM 0 HE2 PHE A 73 16.116 5.285 -7.654 1.00 0.00 H new ATOM 0 HZ PHE A 73 17.520 5.391 -9.695 1.00 0.00 H new ATOM 222 N LEU A 74 12.624 4.884 -10.111 1.00 0.00 N ATOM 223 CA LEU A 74 13.150 3.619 -10.592 1.00 0.00 C ATOM 224 C LEU A 74 12.016 2.690 -10.990 1.00 0.00 C ATOM 225 O LEU A 74 10.886 2.779 -10.511 1.00 0.00 O ATOM 226 CB LEU A 74 14.122 2.958 -9.601 1.00 0.00 C ATOM 227 CG LEU A 74 13.821 3.064 -8.093 1.00 0.00 C ATOM 228 CD1 LEU A 74 12.449 2.556 -7.673 1.00 0.00 C ATOM 229 CD2 LEU A 74 14.873 2.239 -7.354 1.00 0.00 C ATOM 0 H LEU A 74 12.551 4.936 -9.095 1.00 0.00 H new ATOM 0 HA LEU A 74 13.744 3.831 -11.481 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.183 1.899 -9.853 1.00 0.00 H new ATOM 0 HB3 LEU A 74 15.111 3.384 -9.772 1.00 0.00 H new ATOM 0 HG LEU A 74 13.841 4.126 -7.847 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.332 2.673 -6.596 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.676 3.129 -8.186 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.355 1.502 -7.936 1.00 0.00 H new ATOM 0 HD21 LEU A 74 14.689 2.292 -6.281 1.00 0.00 H new ATOM 0 HD22 LEU A 74 14.817 1.201 -7.681 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.865 2.635 -7.572 1.00 0.00 H new ATOM 241 N LYS A 75 12.344 1.783 -11.899 1.00 0.00 N ATOM 242 CA LYS A 75 11.467 0.752 -12.444 1.00 0.00 C ATOM 243 C LYS A 75 12.112 -0.591 -12.121 1.00 0.00 C ATOM 244 O LYS A 75 13.143 -0.629 -11.447 1.00 0.00 O ATOM 245 CB LYS A 75 11.228 1.009 -13.943 1.00 0.00 C ATOM 246 CG LYS A 75 10.136 2.041 -14.279 1.00 0.00 C ATOM 247 CD LYS A 75 10.439 3.497 -13.915 1.00 0.00 C ATOM 248 CE LYS A 75 9.332 4.410 -14.447 1.00 0.00 C ATOM 249 NZ LYS A 75 9.445 5.770 -13.892 1.00 0.00 N ATOM 0 H LYS A 75 13.281 1.743 -12.299 1.00 0.00 H new ATOM 0 HA LYS A 75 10.472 0.761 -11.999 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.165 1.341 -14.390 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.966 0.063 -14.417 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.937 1.991 -15.349 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.219 1.746 -13.770 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.519 3.601 -12.833 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.400 3.793 -14.336 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.385 4.454 -15.535 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.359 3.991 -14.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.634 6.341 -14.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.455 5.721 -12.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.326 6.209 -14.226 1.00 0.00 H new ATOM 263 N LYS A 76 11.480 -1.704 -12.518 1.00 0.00 N ATOM 264 CA LYS A 76 11.882 -3.081 -12.188 1.00 0.00 C ATOM 265 C LYS A 76 13.376 -3.346 -12.344 1.00 0.00 C ATOM 266 O LYS A 76 13.895 -4.211 -11.645 1.00 0.00 O ATOM 267 CB LYS A 76 11.046 -4.116 -12.955 1.00 0.00 C ATOM 268 CG LYS A 76 11.331 -4.263 -14.453 1.00 0.00 C ATOM 269 CD LYS A 76 10.608 -3.224 -15.318 1.00 0.00 C ATOM 270 CE LYS A 76 11.167 -3.394 -16.732 1.00 0.00 C ATOM 271 NZ LYS A 76 10.400 -2.660 -17.753 1.00 0.00 N ATOM 0 H LYS A 76 10.643 -1.670 -13.100 1.00 0.00 H new ATOM 0 HA LYS A 76 11.673 -3.194 -11.124 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.194 -5.088 -12.484 1.00 0.00 H new ATOM 0 HB3 LYS A 76 9.994 -3.860 -12.833 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.405 -4.180 -14.620 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.035 -5.261 -14.775 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.530 -3.385 -15.302 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.785 -2.215 -14.946 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.202 -3.053 -16.750 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.177 -4.454 -16.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.829 -2.816 -18.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.418 -3.001 -17.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.411 -1.644 -17.532 1.00 0.00 H new ATOM 285 N GLU A 77 14.038 -2.614 -13.231 1.00 0.00 N ATOM 286 CA GLU A 77 15.480 -2.437 -13.319 1.00 0.00 C ATOM 287 C GLU A 77 16.157 -2.516 -11.940 1.00 0.00 C ATOM 288 O GLU A 77 16.934 -3.440 -11.706 1.00 0.00 O ATOM 289 CB GLU A 77 15.801 -1.133 -14.063 1.00 0.00 C ATOM 290 CG GLU A 77 15.383 -1.151 -15.546 1.00 0.00 C ATOM 291 CD GLU A 77 13.991 -0.560 -15.831 1.00 0.00 C ATOM 292 OE1 GLU A 77 12.964 -1.135 -15.400 1.00 0.00 O ATOM 293 OE2 GLU A 77 13.896 0.454 -16.562 1.00 0.00 O ATOM 0 H GLU A 77 13.547 -2.093 -13.957 1.00 0.00 H new ATOM 0 HA GLU A 77 15.897 -3.263 -13.896 1.00 0.00 H new ATOM 0 HB2 GLU A 77 15.298 -0.305 -13.562 1.00 0.00 H new ATOM 0 HB3 GLU A 77 16.872 -0.942 -13.998 1.00 0.00 H new ATOM 0 HG2 GLU A 77 16.123 -0.597 -16.124 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.405 -2.181 -15.903 1.00 0.00 H new ATOM 300 N GLU A 78 15.810 -1.612 -11.018 1.00 0.00 N ATOM 301 CA GLU A 78 16.424 -1.450 -9.696 1.00 0.00 C ATOM 302 C GLU A 78 15.390 -1.696 -8.583 1.00 0.00 C ATOM 303 O GLU A 78 15.702 -2.062 -7.452 1.00 0.00 O ATOM 304 CB GLU A 78 16.919 0.004 -9.558 1.00 0.00 C ATOM 305 CG GLU A 78 17.572 0.692 -10.763 1.00 0.00 C ATOM 306 CD GLU A 78 19.015 0.296 -11.062 1.00 0.00 C ATOM 307 OE1 GLU A 78 19.685 -0.276 -10.181 1.00 0.00 O ATOM 308 OE2 GLU A 78 19.514 0.693 -12.147 1.00 0.00 O ATOM 0 H GLU A 78 15.058 -0.942 -11.181 1.00 0.00 H new ATOM 0 HA GLU A 78 17.242 -2.165 -9.602 1.00 0.00 H new ATOM 0 HB2 GLU A 78 16.067 0.613 -9.255 1.00 0.00 H new ATOM 0 HB3 GLU A 78 17.636 0.029 -8.738 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.969 0.482 -11.646 1.00 0.00 H new ATOM 0 HG3 GLU A 78 17.538 1.770 -10.603 1.00 0.00 H new ATOM 315 N LEU A 79 14.113 -1.479 -8.898 1.00 0.00 N ATOM 316 CA LEU A 79 12.987 -1.639 -7.993 1.00 0.00 C ATOM 317 C LEU A 79 12.878 -3.085 -7.502 1.00 0.00 C ATOM 318 O LEU A 79 12.408 -3.324 -6.389 1.00 0.00 O ATOM 319 CB LEU A 79 11.744 -1.215 -8.779 1.00 0.00 C ATOM 320 CG LEU A 79 10.398 -1.278 -8.055 1.00 0.00 C ATOM 321 CD1 LEU A 79 10.303 -0.253 -6.932 1.00 0.00 C ATOM 322 CD2 LEU A 79 9.316 -1.030 -9.104 1.00 0.00 C ATOM 0 H LEU A 79 13.829 -1.175 -9.829 1.00 0.00 H new ATOM 0 HA LEU A 79 13.106 -1.028 -7.099 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.895 -0.191 -9.121 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.678 -1.842 -9.668 1.00 0.00 H new ATOM 0 HG LEU A 79 10.277 -2.254 -7.584 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.331 -0.334 -6.446 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.090 -0.440 -6.202 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.420 0.750 -7.344 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.335 -1.066 -8.630 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.465 -0.049 -9.556 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.375 -1.798 -9.876 1.00 0.00 H new ATOM 334 N LYS A 80 13.269 -4.058 -8.335 1.00 0.00 N ATOM 335 CA LYS A 80 13.362 -5.467 -7.928 1.00 0.00 C ATOM 336 C LYS A 80 14.365 -5.619 -6.804 1.00 0.00 C ATOM 337 O LYS A 80 13.893 -5.910 -5.710 1.00 0.00 O ATOM 338 CB LYS A 80 13.628 -6.449 -9.081 1.00 0.00 C ATOM 339 CG LYS A 80 12.352 -7.179 -9.543 1.00 0.00 C ATOM 340 CD LYS A 80 12.026 -8.455 -8.738 1.00 0.00 C ATOM 341 CE LYS A 80 11.563 -8.298 -7.282 1.00 0.00 C ATOM 342 NZ LYS A 80 10.212 -7.713 -7.159 1.00 0.00 N ATOM 0 H LYS A 80 13.529 -3.892 -9.307 1.00 0.00 H new ATOM 0 HA LYS A 80 12.374 -5.748 -7.564 1.00 0.00 H new ATOM 0 HB2 LYS A 80 14.057 -5.907 -9.924 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.368 -7.184 -8.764 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.508 -6.493 -9.472 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.459 -7.444 -10.595 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.250 -8.999 -9.277 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.916 -9.085 -8.738 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.574 -9.274 -6.797 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.274 -7.668 -6.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.979 -7.586 -6.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.188 -6.791 -7.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.517 -8.350 -7.598 1.00 0.00 H new ATOM 356 N GLU A 81 15.664 -5.408 -7.068 1.00 0.00 N ATOM 357 CA GLU A 81 16.740 -5.235 -6.077 1.00 0.00 C ATOM 358 C GLU A 81 16.157 -4.632 -4.816 1.00 0.00 C ATOM 359 O GLU A 81 16.115 -5.339 -3.819 1.00 0.00 O ATOM 360 CB GLU A 81 17.909 -4.456 -6.731 1.00 0.00 C ATOM 361 CG GLU A 81 18.729 -5.483 -7.535 1.00 0.00 C ATOM 362 CD GLU A 81 20.231 -5.242 -7.656 1.00 0.00 C ATOM 363 OE1 GLU A 81 20.741 -4.172 -7.273 1.00 0.00 O ATOM 364 OE2 GLU A 81 20.908 -6.219 -8.067 1.00 0.00 O ATOM 0 H GLU A 81 16.011 -5.350 -8.026 1.00 0.00 H new ATOM 0 HA GLU A 81 17.176 -6.182 -5.760 1.00 0.00 H new ATOM 0 HB2 GLU A 81 17.532 -3.667 -7.382 1.00 0.00 H new ATOM 0 HB3 GLU A 81 18.527 -3.976 -5.972 1.00 0.00 H new ATOM 0 HG2 GLU A 81 18.581 -6.463 -7.081 1.00 0.00 H new ATOM 0 HG3 GLU A 81 18.314 -5.532 -8.542 1.00 0.00 H new ATOM 371 N PHE A 82 15.592 -3.429 -4.845 1.00 0.00 N ATOM 372 CA PHE A 82 15.097 -2.831 -3.610 1.00 0.00 C ATOM 373 C PHE A 82 14.172 -3.752 -2.799 1.00 0.00 C ATOM 374 O PHE A 82 14.515 -4.165 -1.695 1.00 0.00 O ATOM 375 CB PHE A 82 14.427 -1.486 -3.880 1.00 0.00 C ATOM 376 CG PHE A 82 14.188 -0.702 -2.606 1.00 0.00 C ATOM 377 CD1 PHE A 82 15.173 0.181 -2.139 1.00 0.00 C ATOM 378 CD2 PHE A 82 12.981 -0.824 -1.891 1.00 0.00 C ATOM 379 CE1 PHE A 82 14.906 1.022 -1.053 1.00 0.00 C ATOM 380 CE2 PHE A 82 12.707 0.032 -0.810 1.00 0.00 C ATOM 381 CZ PHE A 82 13.656 0.992 -0.431 1.00 0.00 C ATOM 0 H PHE A 82 15.467 -2.863 -5.684 1.00 0.00 H new ATOM 0 HA PHE A 82 15.977 -2.670 -2.988 1.00 0.00 H new ATOM 0 HB2 PHE A 82 15.051 -0.900 -4.554 1.00 0.00 H new ATOM 0 HB3 PHE A 82 13.477 -1.650 -4.388 1.00 0.00 H new ATOM 0 HD1 PHE A 82 16.140 0.212 -2.619 1.00 0.00 H new ATOM 0 HD2 PHE A 82 12.262 -1.579 -2.174 1.00 0.00 H new ATOM 0 HE1 PHE A 82 15.669 1.697 -0.695 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.772 -0.049 -0.275 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.420 1.708 0.342 1.00 0.00 H new ATOM 391 N GLN A 83 12.981 -4.086 -3.294 1.00 0.00 N ATOM 392 CA GLN A 83 12.033 -4.860 -2.497 1.00 0.00 C ATOM 393 C GLN A 83 12.568 -6.260 -2.137 1.00 0.00 C ATOM 394 O GLN A 83 12.203 -6.801 -1.089 1.00 0.00 O ATOM 395 CB GLN A 83 10.691 -4.858 -3.242 1.00 0.00 C ATOM 396 CG GLN A 83 9.615 -5.832 -2.746 1.00 0.00 C ATOM 397 CD GLN A 83 9.684 -7.170 -3.483 1.00 0.00 C ATOM 398 OE1 GLN A 83 9.211 -7.298 -4.611 1.00 0.00 O ATOM 399 NE2 GLN A 83 10.302 -8.176 -2.902 1.00 0.00 N ATOM 0 H GLN A 83 12.654 -3.837 -4.228 1.00 0.00 H new ATOM 0 HA GLN A 83 11.884 -4.399 -1.521 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.281 -3.849 -3.197 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.887 -5.076 -4.292 1.00 0.00 H new ATOM 0 HG2 GLN A 83 9.740 -5.999 -1.676 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.629 -5.389 -2.887 1.00 0.00 H new ATOM 0 HE21 GLN A 83 10.692 -8.063 -1.966 1.00 0.00 H new ATOM 0 HE22 GLN A 83 10.391 -9.069 -3.387 1.00 0.00 H new ATOM 408 N LEU A 84 13.384 -6.861 -3.001 1.00 0.00 N ATOM 409 CA LEU A 84 13.954 -8.179 -2.892 1.00 0.00 C ATOM 410 C LEU A 84 15.041 -8.182 -1.812 1.00 0.00 C ATOM 411 O LEU A 84 14.880 -8.857 -0.796 1.00 0.00 O ATOM 412 CB LEU A 84 14.423 -8.485 -4.317 1.00 0.00 C ATOM 413 CG LEU A 84 14.793 -9.911 -4.678 1.00 0.00 C ATOM 414 CD1 LEU A 84 15.181 -9.888 -6.159 1.00 0.00 C ATOM 415 CD2 LEU A 84 15.937 -10.550 -3.886 1.00 0.00 C ATOM 0 H LEU A 84 13.679 -6.393 -3.858 1.00 0.00 H new ATOM 0 HA LEU A 84 13.273 -8.963 -2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 84 13.634 -8.167 -4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 84 15.291 -7.858 -4.520 1.00 0.00 H new ATOM 0 HG LEU A 84 13.927 -10.527 -4.435 1.00 0.00 H new ATOM 0 HD11 LEU A 84 15.459 -10.893 -6.478 1.00 0.00 H new ATOM 0 HD12 LEU A 84 14.335 -9.540 -6.751 1.00 0.00 H new ATOM 0 HD13 LEU A 84 16.026 -9.215 -6.303 1.00 0.00 H new ATOM 0 HD21 LEU A 84 16.101 -11.567 -4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.847 -9.966 -4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.679 -10.572 -2.827 1.00 0.00 H new ATOM 427 N LEU A 85 16.106 -7.401 -1.986 1.00 0.00 N ATOM 428 CA LEU A 85 17.233 -7.194 -1.102 1.00 0.00 C ATOM 429 C LEU A 85 16.785 -6.661 0.269 1.00 0.00 C ATOM 430 O LEU A 85 17.416 -6.984 1.272 1.00 0.00 O ATOM 431 CB LEU A 85 18.177 -6.182 -1.785 1.00 0.00 C ATOM 432 CG LEU A 85 18.748 -6.498 -3.197 1.00 0.00 C ATOM 433 CD1 LEU A 85 18.204 -7.627 -4.072 1.00 0.00 C ATOM 434 CD2 LEU A 85 19.333 -5.231 -3.821 1.00 0.00 C ATOM 0 H LEU A 85 16.202 -6.846 -2.836 1.00 0.00 H new ATOM 0 HA LEU A 85 17.739 -8.143 -0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 85 17.644 -5.233 -1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.025 -6.025 -1.118 1.00 0.00 H new ATOM 0 HG LEU A 85 19.563 -7.200 -3.022 1.00 0.00 H new ATOM 0 HD11 LEU A 85 18.756 -7.658 -5.011 1.00 0.00 H new ATOM 0 HD12 LEU A 85 18.319 -8.578 -3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 85 17.148 -7.451 -4.278 1.00 0.00 H new ATOM 0 HD21 LEU A 85 19.730 -5.462 -4.809 1.00 0.00 H new ATOM 0 HD22 LEU A 85 18.552 -4.476 -3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 85 20.134 -4.850 -3.188 1.00 0.00 H new ATOM 446 N LEU A 86 15.698 -5.881 0.356 1.00 0.00 N ATOM 447 CA LEU A 86 15.092 -5.438 1.612 1.00 0.00 C ATOM 448 C LEU A 86 14.550 -6.654 2.359 1.00 0.00 C ATOM 449 O LEU A 86 14.917 -6.898 3.509 1.00 0.00 O ATOM 450 CB LEU A 86 13.989 -4.413 1.290 1.00 0.00 C ATOM 451 CG LEU A 86 13.312 -3.693 2.466 1.00 0.00 C ATOM 452 CD1 LEU A 86 12.480 -2.537 1.897 1.00 0.00 C ATOM 453 CD2 LEU A 86 12.368 -4.595 3.266 1.00 0.00 C ATOM 0 H LEU A 86 15.207 -5.534 -0.468 1.00 0.00 H new ATOM 0 HA LEU A 86 15.825 -4.954 2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 86 14.418 -3.654 0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.213 -4.924 0.720 1.00 0.00 H new ATOM 0 HG LEU A 86 14.101 -3.359 3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.987 -2.008 2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.133 -1.849 1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.728 -2.932 1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.923 -4.024 4.081 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.580 -4.968 2.612 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.928 -5.436 3.675 1.00 0.00 H new ATOM 465 N ALA A 87 13.669 -7.426 1.709 1.00 0.00 N ATOM 466 CA ALA A 87 13.064 -8.607 2.311 1.00 0.00 C ATOM 467 C ALA A 87 14.145 -9.600 2.747 1.00 0.00 C ATOM 468 O ALA A 87 14.046 -10.163 3.838 1.00 0.00 O ATOM 469 CB ALA A 87 12.083 -9.252 1.326 1.00 0.00 C ATOM 0 H ALA A 87 13.361 -7.245 0.754 1.00 0.00 H new ATOM 0 HA ALA A 87 12.509 -8.308 3.200 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.635 -10.134 1.784 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.300 -8.538 1.072 1.00 0.00 H new ATOM 0 HB3 ALA A 87 12.615 -9.544 0.421 1.00 0.00 H new ATOM 475 N ASN A 88 15.186 -9.776 1.925 1.00 0.00 N ATOM 476 CA ASN A 88 16.376 -10.545 2.272 1.00 0.00 C ATOM 477 C ASN A 88 17.006 -10.006 3.552 1.00 0.00 C ATOM 478 O ASN A 88 17.158 -10.764 4.510 1.00 0.00 O ATOM 479 CB ASN A 88 17.416 -10.512 1.143 1.00 0.00 C ATOM 480 CG ASN A 88 18.751 -11.115 1.579 1.00 0.00 C ATOM 481 OD1 ASN A 88 18.823 -12.051 2.377 1.00 0.00 O ATOM 482 ND2 ASN A 88 19.840 -10.541 1.117 1.00 0.00 N ATOM 0 H ASN A 88 15.221 -9.380 0.986 1.00 0.00 H new ATOM 0 HA ASN A 88 16.062 -11.577 2.425 1.00 0.00 H new ATOM 0 HB2 ASN A 88 17.034 -11.060 0.282 1.00 0.00 H new ATOM 0 HB3 ASN A 88 17.571 -9.482 0.822 1.00 0.00 H new ATOM 0 HD21 ASN A 88 20.757 -10.870 1.419 1.00 0.00 H new ATOM 0 HD22 ASN A 88 19.768 -9.767 0.457 1.00 0.00 H new ATOM 489 N LYS A 89 17.394 -8.725 3.567 1.00 0.00 N ATOM 490 CA LYS A 89 18.140 -8.085 4.629 1.00 0.00 C ATOM 491 C LYS A 89 17.452 -8.332 5.961 1.00 0.00 C ATOM 492 O LYS A 89 18.130 -8.701 6.918 1.00 0.00 O ATOM 493 CB LYS A 89 18.305 -6.601 4.241 1.00 0.00 C ATOM 494 CG LYS A 89 18.551 -5.653 5.407 1.00 0.00 C ATOM 495 CD LYS A 89 19.908 -5.857 6.097 1.00 0.00 C ATOM 496 CE LYS A 89 19.811 -6.069 7.612 1.00 0.00 C ATOM 497 NZ LYS A 89 20.254 -7.413 8.035 1.00 0.00 N ATOM 0 H LYS A 89 17.181 -8.088 2.799 1.00 0.00 H new ATOM 0 HA LYS A 89 19.140 -8.500 4.755 1.00 0.00 H new ATOM 0 HB2 LYS A 89 19.136 -6.515 3.541 1.00 0.00 H new ATOM 0 HB3 LYS A 89 17.408 -6.278 3.713 1.00 0.00 H new ATOM 0 HG2 LYS A 89 18.488 -4.626 5.048 1.00 0.00 H new ATOM 0 HG3 LYS A 89 17.757 -5.783 6.142 1.00 0.00 H new ATOM 0 HD2 LYS A 89 20.405 -6.718 5.651 1.00 0.00 H new ATOM 0 HD3 LYS A 89 20.538 -4.989 5.901 1.00 0.00 H new ATOM 0 HE2 LYS A 89 20.416 -5.317 8.118 1.00 0.00 H new ATOM 0 HE3 LYS A 89 18.780 -5.915 7.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 20.377 -7.429 9.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 19.539 -8.117 7.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 21.158 -7.641 7.575 1.00 0.00 H new ATOM 511 N ALA A 90 16.134 -8.146 6.037 1.00 0.00 N ATOM 512 CA ALA A 90 15.404 -8.511 7.234 1.00 0.00 C ATOM 513 C ALA A 90 15.495 -10.031 7.438 1.00 0.00 C ATOM 514 O ALA A 90 16.170 -10.497 8.361 1.00 0.00 O ATOM 515 CB ALA A 90 13.963 -8.014 7.145 1.00 0.00 C ATOM 0 H ALA A 90 15.563 -7.750 5.290 1.00 0.00 H new ATOM 0 HA ALA A 90 15.846 -8.032 8.108 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.425 -8.295 8.050 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.958 -6.929 7.041 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.476 -8.463 6.280 1.00 0.00 H new ATOM 712 N LYS A 105 2.412 -5.469 -5.666 1.00 0.00 N ATOM 713 CA LYS A 105 3.832 -5.413 -5.969 1.00 0.00 C ATOM 714 C LYS A 105 4.039 -4.646 -7.266 1.00 0.00 C ATOM 715 O LYS A 105 3.095 -4.039 -7.762 1.00 0.00 O ATOM 716 CB LYS A 105 4.413 -6.834 -6.022 1.00 0.00 C ATOM 717 CG LYS A 105 3.753 -7.872 -6.949 1.00 0.00 C ATOM 718 CD LYS A 105 4.495 -8.103 -8.280 1.00 0.00 C ATOM 719 CE LYS A 105 4.795 -9.587 -8.526 1.00 0.00 C ATOM 720 NZ LYS A 105 5.845 -10.115 -7.629 1.00 0.00 N ATOM 0 HA LYS A 105 4.368 -4.881 -5.183 1.00 0.00 H new ATOM 0 HB2 LYS A 105 5.460 -6.752 -6.312 1.00 0.00 H new ATOM 0 HB3 LYS A 105 4.393 -7.236 -5.009 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.681 -8.821 -6.418 1.00 0.00 H new ATOM 0 HG3 LYS A 105 2.734 -7.551 -7.166 1.00 0.00 H new ATOM 0 HD2 LYS A 105 3.893 -7.715 -9.102 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.429 -7.541 -8.276 1.00 0.00 H new ATOM 0 HE2 LYS A 105 3.881 -10.165 -8.389 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.106 -9.723 -9.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.007 -11.121 -7.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.727 -9.584 -7.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.540 -10.012 -6.640 1.00 0.00 H new ATOM 734 N THR A 106 5.263 -4.653 -7.805 1.00 0.00 N ATOM 735 CA THR A 106 5.686 -4.115 -9.107 1.00 0.00 C ATOM 736 C THR A 106 5.479 -2.614 -9.315 1.00 0.00 C ATOM 737 O THR A 106 6.088 -2.072 -10.241 1.00 0.00 O ATOM 738 CB THR A 106 5.167 -5.005 -10.271 1.00 0.00 C ATOM 739 OG1 THR A 106 5.802 -4.807 -11.523 1.00 0.00 O ATOM 740 CG2 THR A 106 3.670 -4.865 -10.558 1.00 0.00 C ATOM 0 H THR A 106 6.048 -5.068 -7.303 1.00 0.00 H new ATOM 0 HA THR A 106 6.774 -4.177 -9.108 1.00 0.00 H new ATOM 0 HB THR A 106 5.408 -5.992 -9.876 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.179 -3.903 -11.559 1.00 0.00 H new ATOM 0 HG21 THR A 106 3.395 -5.521 -11.384 1.00 0.00 H new ATOM 0 HG22 THR A 106 3.102 -5.142 -9.670 1.00 0.00 H new ATOM 0 HG23 THR A 106 3.446 -3.832 -10.825 1.00 0.00 H new ATOM 748 N SER A 107 4.744 -1.926 -8.452 1.00 0.00 N ATOM 749 CA SER A 107 4.492 -0.500 -8.610 1.00 0.00 C ATOM 750 C SER A 107 4.688 0.196 -7.270 1.00 0.00 C ATOM 751 O SER A 107 4.394 -0.392 -6.230 1.00 0.00 O ATOM 752 CB SER A 107 3.087 -0.284 -9.195 1.00 0.00 C ATOM 753 OG SER A 107 2.930 -0.995 -10.416 1.00 0.00 O ATOM 0 H SER A 107 4.308 -2.338 -7.627 1.00 0.00 H new ATOM 0 HA SER A 107 5.199 -0.059 -9.312 1.00 0.00 H new ATOM 0 HB2 SER A 107 2.336 -0.615 -8.478 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.919 0.780 -9.365 1.00 0.00 H new ATOM 0 HG SER A 107 2.028 -0.844 -10.769 1.00 0.00 H new ATOM 759 N GLY A 108 5.192 1.431 -7.279 1.00 0.00 N ATOM 760 CA GLY A 108 5.641 2.123 -6.080 1.00 0.00 C ATOM 761 C GLY A 108 4.538 2.227 -5.035 1.00 0.00 C ATOM 762 O GLY A 108 4.757 1.861 -3.885 1.00 0.00 O ATOM 0 H GLY A 108 5.299 1.981 -8.131 1.00 0.00 H new ATOM 0 HA2 GLY A 108 6.495 1.595 -5.655 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.984 3.123 -6.345 1.00 0.00 H new ATOM 766 N MET A 109 3.352 2.683 -5.437 1.00 0.00 N ATOM 767 CA MET A 109 2.189 2.822 -4.560 1.00 0.00 C ATOM 768 C MET A 109 1.614 1.478 -4.082 1.00 0.00 C ATOM 769 O MET A 109 0.923 1.449 -3.065 1.00 0.00 O ATOM 770 CB MET A 109 1.105 3.646 -5.272 1.00 0.00 C ATOM 771 CG MET A 109 0.792 3.086 -6.660 1.00 0.00 C ATOM 772 SD MET A 109 -0.863 3.463 -7.282 1.00 0.00 S ATOM 773 CE MET A 109 -0.614 5.213 -7.646 1.00 0.00 C ATOM 0 H MET A 109 3.169 2.971 -6.398 1.00 0.00 H new ATOM 0 HA MET A 109 2.529 3.338 -3.662 1.00 0.00 H new ATOM 0 HB2 MET A 109 0.197 3.652 -4.669 1.00 0.00 H new ATOM 0 HB3 MET A 109 1.435 4.681 -5.363 1.00 0.00 H new ATOM 0 HG2 MET A 109 1.526 3.475 -7.366 1.00 0.00 H new ATOM 0 HG3 MET A 109 0.916 2.003 -6.635 1.00 0.00 H new ATOM 0 HE1 MET A 109 -1.535 5.636 -8.046 1.00 0.00 H new ATOM 0 HE2 MET A 109 -0.340 5.739 -6.732 1.00 0.00 H new ATOM 0 HE3 MET A 109 0.184 5.322 -8.380 1.00 0.00 H new ATOM 783 N GLU A 110 1.886 0.369 -4.775 1.00 0.00 N ATOM 784 CA GLU A 110 1.434 -0.942 -4.333 1.00 0.00 C ATOM 785 C GLU A 110 2.393 -1.436 -3.263 1.00 0.00 C ATOM 786 O GLU A 110 1.991 -1.753 -2.146 1.00 0.00 O ATOM 787 CB GLU A 110 1.430 -1.939 -5.509 1.00 0.00 C ATOM 788 CG GLU A 110 0.317 -1.756 -6.543 1.00 0.00 C ATOM 789 CD GLU A 110 -0.999 -2.361 -6.058 1.00 0.00 C ATOM 790 OE1 GLU A 110 -1.685 -1.731 -5.231 1.00 0.00 O ATOM 791 OE2 GLU A 110 -1.368 -3.482 -6.487 1.00 0.00 O ATOM 0 H GLU A 110 2.418 0.359 -5.645 1.00 0.00 H new ATOM 0 HA GLU A 110 0.420 -0.865 -3.942 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.389 -1.869 -6.022 1.00 0.00 H new ATOM 0 HB3 GLU A 110 1.359 -2.948 -5.103 1.00 0.00 H new ATOM 0 HG2 GLU A 110 0.178 -0.694 -6.746 1.00 0.00 H new ATOM 0 HG3 GLU A 110 0.610 -2.225 -7.482 1.00 0.00 H new ATOM 798 N VAL A 111 3.683 -1.453 -3.600 1.00 0.00 N ATOM 799 CA VAL A 111 4.757 -1.860 -2.711 1.00 0.00 C ATOM 800 C VAL A 111 4.713 -1.008 -1.447 1.00 0.00 C ATOM 801 O VAL A 111 4.978 -1.523 -0.370 1.00 0.00 O ATOM 802 CB VAL A 111 6.102 -1.771 -3.450 1.00 0.00 C ATOM 803 CG1 VAL A 111 7.263 -2.197 -2.537 1.00 0.00 C ATOM 804 CG2 VAL A 111 6.072 -2.705 -4.672 1.00 0.00 C ATOM 0 H VAL A 111 4.012 -1.176 -4.525 1.00 0.00 H new ATOM 0 HA VAL A 111 4.633 -2.899 -2.405 1.00 0.00 H new ATOM 0 HB VAL A 111 6.255 -0.737 -3.758 1.00 0.00 H new ATOM 0 HG11 VAL A 111 8.202 -2.125 -3.085 1.00 0.00 H new ATOM 0 HG12 VAL A 111 7.300 -1.543 -1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.111 -3.226 -2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 111 7.024 -2.645 -5.199 1.00 0.00 H new ATOM 0 HG22 VAL A 111 5.904 -3.730 -4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 111 5.267 -2.402 -5.342 1.00 0.00 H new ATOM 814 N ALA A 112 4.312 0.256 -1.553 1.00 0.00 N ATOM 815 CA ALA A 112 4.097 1.137 -0.430 1.00 0.00 C ATOM 816 C ALA A 112 3.130 0.560 0.591 1.00 0.00 C ATOM 817 O ALA A 112 3.497 0.418 1.757 1.00 0.00 O ATOM 818 CB ALA A 112 3.608 2.478 -0.964 1.00 0.00 C ATOM 0 H ALA A 112 4.125 0.699 -2.452 1.00 0.00 H new ATOM 0 HA ALA A 112 5.039 1.265 0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.438 3.161 -0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 112 4.359 2.899 -1.632 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.676 2.334 -1.511 1.00 0.00 H new ATOM 824 N SER A 113 1.920 0.217 0.160 1.00 0.00 N ATOM 825 CA SER A 113 0.925 -0.385 1.029 1.00 0.00 C ATOM 826 C SER A 113 1.448 -1.705 1.608 1.00 0.00 C ATOM 827 O SER A 113 1.241 -1.997 2.787 1.00 0.00 O ATOM 828 CB SER A 113 -0.367 -0.543 0.218 1.00 0.00 C ATOM 829 OG SER A 113 -1.490 -0.305 1.037 1.00 0.00 O ATOM 0 H SER A 113 1.606 0.350 -0.801 1.00 0.00 H new ATOM 0 HA SER A 113 0.713 0.247 1.892 1.00 0.00 H new ATOM 0 HB2 SER A 113 -0.366 0.153 -0.621 1.00 0.00 H new ATOM 0 HB3 SER A 113 -0.421 -1.547 -0.202 1.00 0.00 H new ATOM 0 HG SER A 113 -2.308 -0.407 0.508 1.00 0.00 H new ATOM 835 N TYR A 114 2.220 -2.447 0.813 1.00 0.00 N ATOM 836 CA TYR A 114 2.795 -3.720 1.229 1.00 0.00 C ATOM 837 C TYR A 114 3.841 -3.480 2.325 1.00 0.00 C ATOM 838 O TYR A 114 3.974 -4.271 3.254 1.00 0.00 O ATOM 839 CB TYR A 114 3.335 -4.458 -0.014 1.00 0.00 C ATOM 840 CG TYR A 114 4.567 -5.327 0.182 1.00 0.00 C ATOM 841 CD1 TYR A 114 5.842 -4.733 0.238 1.00 0.00 C ATOM 842 CD2 TYR A 114 4.451 -6.725 0.285 1.00 0.00 C ATOM 843 CE1 TYR A 114 6.987 -5.511 0.458 1.00 0.00 C ATOM 844 CE2 TYR A 114 5.593 -7.519 0.498 1.00 0.00 C ATOM 845 CZ TYR A 114 6.862 -6.907 0.615 1.00 0.00 C ATOM 846 OH TYR A 114 7.959 -7.652 0.915 1.00 0.00 O ATOM 0 H TYR A 114 2.463 -2.178 -0.140 1.00 0.00 H new ATOM 0 HA TYR A 114 2.042 -4.371 1.673 1.00 0.00 H new ATOM 0 HB2 TYR A 114 2.536 -5.086 -0.409 1.00 0.00 H new ATOM 0 HB3 TYR A 114 3.563 -3.714 -0.778 1.00 0.00 H new ATOM 0 HD1 TYR A 114 5.939 -3.665 0.110 1.00 0.00 H new ATOM 0 HD2 TYR A 114 3.481 -7.191 0.200 1.00 0.00 H new ATOM 0 HE1 TYR A 114 7.960 -5.044 0.507 1.00 0.00 H new ATOM 0 HE2 TYR A 114 5.500 -8.592 0.572 1.00 0.00 H new ATOM 0 HH TYR A 114 7.703 -8.595 0.990 1.00 0.00 H new ATOM 856 N LEU A 115 4.588 -2.379 2.260 1.00 0.00 N ATOM 857 CA LEU A 115 5.674 -2.063 3.174 1.00 0.00 C ATOM 858 C LEU A 115 5.122 -1.764 4.567 1.00 0.00 C ATOM 859 O LEU A 115 5.624 -2.295 5.561 1.00 0.00 O ATOM 860 CB LEU A 115 6.493 -0.894 2.585 1.00 0.00 C ATOM 861 CG LEU A 115 8.011 -1.133 2.524 1.00 0.00 C ATOM 862 CD1 LEU A 115 8.412 -2.419 1.783 1.00 0.00 C ATOM 863 CD2 LEU A 115 8.656 0.039 1.773 1.00 0.00 C ATOM 0 H LEU A 115 4.446 -1.664 1.547 1.00 0.00 H new ATOM 0 HA LEU A 115 6.344 -2.915 3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.132 -0.688 1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.304 -0.001 3.181 1.00 0.00 H new ATOM 0 HG LEU A 115 8.350 -1.225 3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 115 9.498 -2.516 1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.971 -3.280 2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.052 -2.374 0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.734 -0.112 1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 115 8.247 0.094 0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 115 8.446 0.969 2.301 1.00 0.00 H new ATOM 875 N VAL A 116 4.058 -0.966 4.641 1.00 0.00 N ATOM 876 CA VAL A 116 3.334 -0.682 5.881 1.00 0.00 C ATOM 877 C VAL A 116 2.607 -1.944 6.383 1.00 0.00 C ATOM 878 O VAL A 116 2.378 -2.072 7.586 1.00 0.00 O ATOM 879 CB VAL A 116 2.416 0.559 5.697 1.00 0.00 C ATOM 880 CG1 VAL A 116 1.935 1.116 7.038 1.00 0.00 C ATOM 881 CG2 VAL A 116 3.099 1.721 4.956 1.00 0.00 C ATOM 0 H VAL A 116 3.668 -0.490 3.828 1.00 0.00 H new ATOM 0 HA VAL A 116 4.036 -0.416 6.672 1.00 0.00 H new ATOM 0 HB VAL A 116 1.582 0.187 5.102 1.00 0.00 H new ATOM 0 HG11 VAL A 116 1.297 1.982 6.864 1.00 0.00 H new ATOM 0 HG12 VAL A 116 1.370 0.350 7.569 1.00 0.00 H new ATOM 0 HG13 VAL A 116 2.795 1.414 7.638 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.401 2.553 4.863 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.976 2.044 5.516 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.404 1.390 3.963 1.00 0.00 H new ATOM 891 N ALA A 117 2.297 -2.920 5.525 1.00 0.00 N ATOM 892 CA ALA A 117 1.739 -4.204 5.964 1.00 0.00 C ATOM 893 C ALA A 117 2.836 -5.139 6.499 1.00 0.00 C ATOM 894 O ALA A 117 2.588 -5.991 7.357 1.00 0.00 O ATOM 895 CB ALA A 117 0.970 -4.867 4.817 1.00 0.00 C ATOM 0 H ALA A 117 2.424 -2.845 4.516 1.00 0.00 H new ATOM 0 HA ALA A 117 1.047 -4.010 6.783 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.561 -5.819 5.156 1.00 0.00 H new ATOM 0 HB2 ALA A 117 0.156 -4.215 4.500 1.00 0.00 H new ATOM 0 HB3 ALA A 117 1.645 -5.040 3.979 1.00 0.00 H new ATOM 901 N GLN A 118 4.061 -5.031 5.987 1.00 0.00 N ATOM 902 CA GLN A 118 5.198 -5.842 6.405 1.00 0.00 C ATOM 903 C GLN A 118 5.777 -5.318 7.724 1.00 0.00 C ATOM 904 O GLN A 118 5.990 -6.108 8.646 1.00 0.00 O ATOM 905 CB GLN A 118 6.248 -5.869 5.287 1.00 0.00 C ATOM 906 CG GLN A 118 5.817 -6.682 4.056 1.00 0.00 C ATOM 907 CD GLN A 118 6.031 -8.175 4.253 1.00 0.00 C ATOM 908 OE1 GLN A 118 7.155 -8.674 4.184 1.00 0.00 O ATOM 909 NE2 GLN A 118 4.983 -8.948 4.494 1.00 0.00 N ATOM 0 H GLN A 118 4.293 -4.361 5.254 1.00 0.00 H new ATOM 0 HA GLN A 118 4.870 -6.866 6.585 1.00 0.00 H new ATOM 0 HB2 GLN A 118 6.464 -4.846 4.979 1.00 0.00 H new ATOM 0 HB3 GLN A 118 7.175 -6.286 5.681 1.00 0.00 H new ATOM 0 HG2 GLN A 118 4.764 -6.492 3.847 1.00 0.00 H new ATOM 0 HG3 GLN A 118 6.381 -6.347 3.185 1.00 0.00 H new ATOM 0 HE21 GLN A 118 4.050 -8.539 4.552 1.00 0.00 H new ATOM 0 HE22 GLN A 118 5.109 -9.952 4.622 1.00 0.00 H new ATOM 918 N TYR A 119 6.014 -4.006 7.835 1.00 0.00 N ATOM 919 CA TYR A 119 6.702 -3.400 8.974 1.00 0.00 C ATOM 920 C TYR A 119 5.940 -2.238 9.602 1.00 0.00 C ATOM 921 O TYR A 119 6.049 -2.085 10.816 1.00 0.00 O ATOM 922 CB TYR A 119 8.079 -2.877 8.558 1.00 0.00 C ATOM 923 CG TYR A 119 9.022 -3.892 7.958 1.00 0.00 C ATOM 924 CD1 TYR A 119 8.892 -4.167 6.588 1.00 0.00 C ATOM 925 CD2 TYR A 119 10.015 -4.540 8.728 1.00 0.00 C ATOM 926 CE1 TYR A 119 9.655 -5.177 5.996 1.00 0.00 C ATOM 927 CE2 TYR A 119 10.788 -5.558 8.131 1.00 0.00 C ATOM 928 CZ TYR A 119 10.578 -5.907 6.774 1.00 0.00 C ATOM 929 OH TYR A 119 11.258 -6.936 6.206 1.00 0.00 O ATOM 0 H TYR A 119 5.729 -3.330 7.127 1.00 0.00 H new ATOM 0 HA TYR A 119 6.784 -4.197 9.713 1.00 0.00 H new ATOM 0 HB2 TYR A 119 7.937 -2.072 7.836 1.00 0.00 H new ATOM 0 HB3 TYR A 119 8.558 -2.439 9.433 1.00 0.00 H new ATOM 0 HD1 TYR A 119 8.199 -3.595 5.988 1.00 0.00 H new ATOM 0 HD2 TYR A 119 10.179 -4.260 9.758 1.00 0.00 H new ATOM 0 HE1 TYR A 119 9.538 -5.398 4.945 1.00 0.00 H new ATOM 0 HE2 TYR A 119 11.541 -6.072 8.709 1.00 0.00 H new ATOM 0 HH TYR A 119 11.381 -6.759 5.250 1.00 0.00 H new ATOM 939 N GLY A 120 5.248 -1.405 8.818 1.00 0.00 N ATOM 940 CA GLY A 120 4.525 -0.234 9.310 1.00 0.00 C ATOM 941 C GLY A 120 5.089 1.061 8.723 1.00 0.00 C ATOM 942 O GLY A 120 5.155 1.252 7.519 1.00 0.00 O ATOM 0 H GLY A 120 5.175 -1.530 7.808 1.00 0.00 H new ATOM 0 HA2 GLY A 120 3.470 -0.322 9.052 1.00 0.00 H new ATOM 0 HA3 GLY A 120 4.586 -0.198 10.398 1.00 0.00 H new ATOM 946 N GLU A 121 5.528 1.967 9.571 1.00 0.00 N ATOM 947 CA GLU A 121 6.092 3.271 9.200 1.00 0.00 C ATOM 948 C GLU A 121 7.545 3.425 9.670 1.00 0.00 C ATOM 949 O GLU A 121 8.294 4.197 9.076 1.00 0.00 O ATOM 950 CB GLU A 121 5.204 4.395 9.762 1.00 0.00 C ATOM 951 CG GLU A 121 4.017 4.761 8.850 1.00 0.00 C ATOM 952 CD GLU A 121 4.270 6.025 8.014 1.00 0.00 C ATOM 953 OE1 GLU A 121 5.236 6.061 7.215 1.00 0.00 O ATOM 954 OE2 GLU A 121 3.562 7.037 8.222 1.00 0.00 O ATOM 0 H GLU A 121 5.506 1.820 10.580 1.00 0.00 H new ATOM 0 HA GLU A 121 6.109 3.338 8.112 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.822 4.091 10.737 1.00 0.00 H new ATOM 0 HB3 GLU A 121 5.815 5.283 9.922 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.808 3.926 8.182 1.00 0.00 H new ATOM 0 HG3 GLU A 121 3.128 4.909 9.462 1.00 0.00 H new ATOM 961 N GLN A 122 7.975 2.686 10.700 1.00 0.00 N ATOM 962 CA GLN A 122 9.358 2.633 11.150 1.00 0.00 C ATOM 963 C GLN A 122 10.162 1.811 10.141 1.00 0.00 C ATOM 964 O GLN A 122 10.633 2.361 9.149 1.00 0.00 O ATOM 965 CB GLN A 122 9.435 2.105 12.592 1.00 0.00 C ATOM 966 CG GLN A 122 9.050 3.126 13.683 1.00 0.00 C ATOM 967 CD GLN A 122 7.607 3.642 13.645 1.00 0.00 C ATOM 968 OE1 GLN A 122 6.692 3.066 14.224 1.00 0.00 O ATOM 969 NE2 GLN A 122 7.371 4.784 13.018 1.00 0.00 N ATOM 0 H GLN A 122 7.351 2.097 11.252 1.00 0.00 H new ATOM 0 HA GLN A 122 9.800 3.629 11.186 1.00 0.00 H new ATOM 0 HB2 GLN A 122 8.781 1.238 12.681 1.00 0.00 H new ATOM 0 HB3 GLN A 122 10.451 1.759 12.782 1.00 0.00 H new ATOM 0 HG2 GLN A 122 9.226 2.670 14.657 1.00 0.00 H new ATOM 0 HG3 GLN A 122 9.722 3.981 13.606 1.00 0.00 H new ATOM 0 HE21 GLN A 122 8.129 5.267 12.535 1.00 0.00 H new ATOM 0 HE22 GLN A 122 6.431 5.181 13.018 1.00 0.00 H new ATOM 978 N ARG A 123 10.289 0.489 10.324 1.00 0.00 N ATOM 979 CA ARG A 123 11.168 -0.342 9.484 1.00 0.00 C ATOM 980 C ARG A 123 10.799 -0.308 8.010 1.00 0.00 C ATOM 981 O ARG A 123 11.678 -0.498 7.171 1.00 0.00 O ATOM 982 CB ARG A 123 11.178 -1.795 9.968 1.00 0.00 C ATOM 983 CG ARG A 123 12.287 -2.163 10.934 1.00 0.00 C ATOM 984 CD ARG A 123 12.298 -1.243 12.142 1.00 0.00 C ATOM 985 NE ARG A 123 11.144 -1.387 13.043 1.00 0.00 N ATOM 986 CZ ARG A 123 10.986 -0.688 14.175 1.00 0.00 C ATOM 987 NH1 ARG A 123 11.812 0.303 14.488 1.00 0.00 N ATOM 988 NH2 ARG A 123 9.980 -0.971 14.988 1.00 0.00 N ATOM 0 H ARG A 123 9.793 -0.030 11.048 1.00 0.00 H new ATOM 0 HA ARG A 123 12.163 0.091 9.584 1.00 0.00 H new ATOM 0 HB2 ARG A 123 10.221 -2.005 10.446 1.00 0.00 H new ATOM 0 HB3 ARG A 123 11.249 -2.447 9.098 1.00 0.00 H new ATOM 0 HG2 ARG A 123 12.159 -3.195 11.262 1.00 0.00 H new ATOM 0 HG3 ARG A 123 13.249 -2.108 10.424 1.00 0.00 H new ATOM 0 HD2 ARG A 123 13.209 -1.426 12.711 1.00 0.00 H new ATOM 0 HD3 ARG A 123 12.342 -0.211 11.794 1.00 0.00 H new ATOM 0 HE ARG A 123 10.420 -2.060 12.791 1.00 0.00 H new ATOM 0 HH11 ARG A 123 12.581 0.542 13.863 1.00 0.00 H new ATOM 0 HH12 ARG A 123 11.677 0.825 15.354 1.00 0.00 H new ATOM 0 HH21 ARG A 123 9.328 -1.719 14.752 1.00 0.00 H new ATOM 0 HH22 ARG A 123 9.857 -0.441 15.851 1.00 0.00 H new ATOM 1002 N ALA A 124 9.532 -0.040 7.691 1.00 0.00 N ATOM 1003 CA ALA A 124 9.105 0.033 6.301 1.00 0.00 C ATOM 1004 C ALA A 124 9.846 1.127 5.547 1.00 0.00 C ATOM 1005 O ALA A 124 9.891 1.071 4.326 1.00 0.00 O ATOM 1006 CB ALA A 124 7.606 0.305 6.199 1.00 0.00 C ATOM 0 H ALA A 124 8.792 0.128 8.373 1.00 0.00 H new ATOM 0 HA ALA A 124 9.335 -0.934 5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 124 7.316 0.354 5.150 1.00 0.00 H new ATOM 0 HB2 ALA A 124 7.056 -0.498 6.690 1.00 0.00 H new ATOM 0 HB3 ALA A 124 7.374 1.253 6.684 1.00 0.00 H new ATOM 1012 N TRP A 125 10.446 2.088 6.249 1.00 0.00 N ATOM 1013 CA TRP A 125 11.303 3.083 5.654 1.00 0.00 C ATOM 1014 C TRP A 125 12.703 2.951 6.242 1.00 0.00 C ATOM 1015 O TRP A 125 13.634 2.718 5.493 1.00 0.00 O ATOM 1016 CB TRP A 125 10.631 4.451 5.771 1.00 0.00 C ATOM 1017 CG TRP A 125 10.842 5.362 4.602 1.00 0.00 C ATOM 1018 CD1 TRP A 125 11.158 6.665 4.716 1.00 0.00 C ATOM 1019 CD2 TRP A 125 10.844 5.078 3.164 1.00 0.00 C ATOM 1020 NE1 TRP A 125 11.420 7.194 3.473 1.00 0.00 N ATOM 1021 CE2 TRP A 125 11.235 6.265 2.475 1.00 0.00 C ATOM 1022 CE3 TRP A 125 10.606 3.936 2.363 1.00 0.00 C ATOM 1023 CZ2 TRP A 125 11.394 6.313 1.083 1.00 0.00 C ATOM 1024 CZ3 TRP A 125 10.793 3.962 0.970 1.00 0.00 C ATOM 1025 CH2 TRP A 125 11.181 5.149 0.324 1.00 0.00 C ATOM 0 H TRP A 125 10.342 2.189 7.259 1.00 0.00 H new ATOM 0 HA TRP A 125 11.444 2.938 4.583 1.00 0.00 H new ATOM 0 HB2 TRP A 125 9.560 4.302 5.908 1.00 0.00 H new ATOM 0 HB3 TRP A 125 11.001 4.945 6.669 1.00 0.00 H new ATOM 0 HD1 TRP A 125 11.200 7.214 5.645 1.00 0.00 H new ATOM 0 HE1 TRP A 125 11.715 8.157 3.311 1.00 0.00 H new ATOM 0 HE3 TRP A 125 10.273 3.023 2.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 11.677 7.236 0.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 10.637 3.063 0.392 1.00 0.00 H new ATOM 0 HH2 TRP A 125 11.314 5.166 -0.748 1.00 0.00 H new ATOM 1036 N ASP A 126 12.870 2.938 7.562 1.00 0.00 N ATOM 1037 CA ASP A 126 14.148 2.802 8.272 1.00 0.00 C ATOM 1038 C ASP A 126 15.066 1.685 7.730 1.00 0.00 C ATOM 1039 O ASP A 126 16.283 1.837 7.775 1.00 0.00 O ATOM 1040 CB ASP A 126 13.901 2.533 9.771 1.00 0.00 C ATOM 1041 CG ASP A 126 13.423 3.712 10.621 1.00 0.00 C ATOM 1042 OD1 ASP A 126 14.021 4.806 10.533 1.00 0.00 O ATOM 1043 OD2 ASP A 126 12.557 3.491 11.506 1.00 0.00 O ATOM 0 H ASP A 126 12.080 3.026 8.202 1.00 0.00 H new ATOM 0 HA ASP A 126 14.661 3.750 8.111 1.00 0.00 H new ATOM 0 HB2 ASP A 126 13.163 1.735 9.854 1.00 0.00 H new ATOM 0 HB3 ASP A 126 14.828 2.157 10.204 1.00 0.00 H new ATOM 1048 N LEU A 127 14.551 0.542 7.249 1.00 0.00 N ATOM 1049 CA LEU A 127 15.367 -0.534 6.672 1.00 0.00 C ATOM 1050 C LEU A 127 15.490 -0.339 5.156 1.00 0.00 C ATOM 1051 O LEU A 127 16.538 -0.535 4.538 1.00 0.00 O ATOM 1052 CB LEU A 127 14.727 -1.870 7.111 1.00 0.00 C ATOM 1053 CG LEU A 127 14.390 -2.950 6.069 1.00 0.00 C ATOM 1054 CD1 LEU A 127 15.642 -3.575 5.466 1.00 0.00 C ATOM 1055 CD2 LEU A 127 13.613 -4.067 6.766 1.00 0.00 C ATOM 0 H LEU A 127 13.551 0.339 7.250 1.00 0.00 H new ATOM 0 HA LEU A 127 16.396 -0.528 7.032 1.00 0.00 H new ATOM 0 HB2 LEU A 127 15.397 -2.324 7.841 1.00 0.00 H new ATOM 0 HB3 LEU A 127 13.802 -1.628 7.635 1.00 0.00 H new ATOM 0 HG LEU A 127 13.815 -2.477 5.273 1.00 0.00 H new ATOM 0 HD11 LEU A 127 15.355 -4.332 4.736 1.00 0.00 H new ATOM 0 HD12 LEU A 127 16.234 -2.803 4.975 1.00 0.00 H new ATOM 0 HD13 LEU A 127 16.234 -4.038 6.255 1.00 0.00 H new ATOM 0 HD21 LEU A 127 13.364 -4.844 6.043 1.00 0.00 H new ATOM 0 HD22 LEU A 127 14.224 -4.494 7.561 1.00 0.00 H new ATOM 0 HD23 LEU A 127 12.696 -3.661 7.192 1.00 0.00 H new ATOM 1067 N ALA A 128 14.389 0.085 4.558 1.00 0.00 N ATOM 1068 CA ALA A 128 14.268 0.464 3.162 1.00 0.00 C ATOM 1069 C ALA A 128 15.335 1.506 2.763 1.00 0.00 C ATOM 1070 O ALA A 128 16.021 1.306 1.768 1.00 0.00 O ATOM 1071 CB ALA A 128 12.825 0.921 2.943 1.00 0.00 C ATOM 0 H ALA A 128 13.508 0.179 5.063 1.00 0.00 H new ATOM 0 HA ALA A 128 14.468 -0.378 2.500 1.00 0.00 H new ATOM 0 HB1 ALA A 128 12.691 1.216 1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 128 12.144 0.103 3.179 1.00 0.00 H new ATOM 0 HB3 ALA A 128 12.610 1.770 3.591 1.00 0.00 H new ATOM 1077 N LEU A 129 15.570 2.551 3.562 1.00 0.00 N ATOM 1078 CA LEU A 129 16.560 3.594 3.299 1.00 0.00 C ATOM 1079 C LEU A 129 17.954 2.977 3.149 1.00 0.00 C ATOM 1080 O LEU A 129 18.626 3.212 2.142 1.00 0.00 O ATOM 1081 CB LEU A 129 16.507 4.690 4.388 1.00 0.00 C ATOM 1082 CG LEU A 129 15.526 5.839 4.044 1.00 0.00 C ATOM 1083 CD1 LEU A 129 14.213 5.664 4.790 1.00 0.00 C ATOM 1084 CD2 LEU A 129 16.049 7.237 4.386 1.00 0.00 C ATOM 0 H LEU A 129 15.061 2.697 4.434 1.00 0.00 H new ATOM 0 HA LEU A 129 16.322 4.083 2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 129 16.212 4.239 5.335 1.00 0.00 H new ATOM 0 HB3 LEU A 129 17.506 5.103 4.529 1.00 0.00 H new ATOM 0 HG LEU A 129 15.398 5.774 2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 129 13.538 6.481 4.535 1.00 0.00 H new ATOM 0 HD12 LEU A 129 13.758 4.715 4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 129 14.401 5.670 5.864 1.00 0.00 H new ATOM 0 HD21 LEU A 129 15.301 7.982 4.113 1.00 0.00 H new ATOM 0 HD22 LEU A 129 16.250 7.299 5.456 1.00 0.00 H new ATOM 0 HD23 LEU A 129 16.969 7.427 3.833 1.00 0.00 H new ATOM 1096 N HIS A 130 18.350 2.101 4.077 1.00 0.00 N ATOM 1097 CA HIS A 130 19.577 1.309 3.987 1.00 0.00 C ATOM 1098 C HIS A 130 19.625 0.493 2.685 1.00 0.00 C ATOM 1099 O HIS A 130 20.699 0.277 2.132 1.00 0.00 O ATOM 1100 CB HIS A 130 19.711 0.414 5.243 1.00 0.00 C ATOM 1101 CG HIS A 130 20.378 -0.926 5.017 1.00 0.00 C ATOM 1102 ND1 HIS A 130 21.636 -1.308 5.433 1.00 0.00 N ATOM 1103 CD2 HIS A 130 19.859 -1.952 4.271 1.00 0.00 C ATOM 1104 CE1 HIS A 130 21.872 -2.531 4.928 1.00 0.00 C ATOM 1105 NE2 HIS A 130 20.817 -2.968 4.210 1.00 0.00 N ATOM 0 H HIS A 130 17.816 1.920 4.927 1.00 0.00 H new ATOM 0 HA HIS A 130 20.433 1.983 3.956 1.00 0.00 H new ATOM 0 HB2 HIS A 130 20.277 0.960 5.998 1.00 0.00 H new ATOM 0 HB3 HIS A 130 18.716 0.241 5.653 1.00 0.00 H new ATOM 0 HD1 HIS A 130 22.271 -0.763 6.017 1.00 0.00 H new ATOM 0 HD2 HIS A 130 18.882 -1.972 3.811 1.00 0.00 H new ATOM 0 HE1 HIS A 130 22.784 -3.089 5.077 1.00 0.00 H new ATOM 1113 N THR A 131 18.493 0.001 2.179 1.00 0.00 N ATOM 1114 CA THR A 131 18.472 -0.869 1.003 1.00 0.00 C ATOM 1115 C THR A 131 18.899 -0.086 -0.244 1.00 0.00 C ATOM 1116 O THR A 131 19.512 -0.639 -1.156 1.00 0.00 O ATOM 1117 CB THR A 131 17.079 -1.497 0.860 1.00 0.00 C ATOM 1118 OG1 THR A 131 16.705 -2.132 2.075 1.00 0.00 O ATOM 1119 CG2 THR A 131 17.010 -2.526 -0.265 1.00 0.00 C ATOM 0 H THR A 131 17.571 0.193 2.570 1.00 0.00 H new ATOM 0 HA THR A 131 19.189 -1.681 1.123 1.00 0.00 H new ATOM 0 HB THR A 131 16.394 -0.684 0.619 1.00 0.00 H new ATOM 0 HG1 THR A 131 16.541 -1.453 2.762 1.00 0.00 H new ATOM 0 HG21 THR A 131 16.002 -2.937 -0.320 1.00 0.00 H new ATOM 0 HG22 THR A 131 17.259 -2.047 -1.212 1.00 0.00 H new ATOM 0 HG23 THR A 131 17.720 -3.329 -0.067 1.00 0.00 H new ATOM 1127 N TRP A 132 18.667 1.224 -0.261 1.00 0.00 N ATOM 1128 CA TRP A 132 19.213 2.062 -1.331 1.00 0.00 C ATOM 1129 C TRP A 132 20.733 2.167 -1.223 1.00 0.00 C ATOM 1130 O TRP A 132 21.418 2.337 -2.231 1.00 0.00 O ATOM 1131 CB TRP A 132 18.587 3.456 -1.322 1.00 0.00 C ATOM 1132 CG TRP A 132 17.181 3.555 -1.820 1.00 0.00 C ATOM 1133 CD1 TRP A 132 16.670 2.932 -2.907 1.00 0.00 C ATOM 1134 CD2 TRP A 132 16.125 4.427 -1.333 1.00 0.00 C ATOM 1135 NE1 TRP A 132 15.381 3.373 -3.133 1.00 0.00 N ATOM 1136 CE2 TRP A 132 15.024 4.353 -2.234 1.00 0.00 C ATOM 1137 CE3 TRP A 132 16.030 5.343 -0.268 1.00 0.00 C ATOM 1138 CZ2 TRP A 132 13.919 5.208 -2.131 1.00 0.00 C ATOM 1139 CZ3 TRP A 132 14.936 6.216 -0.161 1.00 0.00 C ATOM 1140 CH2 TRP A 132 13.902 6.174 -1.111 1.00 0.00 C ATOM 0 H TRP A 132 18.116 1.723 0.438 1.00 0.00 H new ATOM 0 HA TRP A 132 18.964 1.583 -2.278 1.00 0.00 H new ATOM 0 HB2 TRP A 132 18.616 3.837 -0.301 1.00 0.00 H new ATOM 0 HB3 TRP A 132 19.211 4.115 -1.926 1.00 0.00 H new ATOM 0 HD1 TRP A 132 17.191 2.201 -3.507 1.00 0.00 H new ATOM 0 HE1 TRP A 132 14.772 3.019 -3.871 1.00 0.00 H new ATOM 0 HE3 TRP A 132 16.811 5.374 0.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 13.094 5.126 -2.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 14.889 6.922 0.655 1.00 0.00 H new ATOM 0 HH2 TRP A 132 13.092 6.886 -1.057 1.00 0.00 H new ATOM 1151 N GLU A 133 21.280 2.038 -0.017 1.00 0.00 N ATOM 1152 CA GLU A 133 22.710 1.962 0.195 1.00 0.00 C ATOM 1153 C GLU A 133 23.258 0.628 -0.336 1.00 0.00 C ATOM 1154 O GLU A 133 24.341 0.638 -0.926 1.00 0.00 O ATOM 1155 CB GLU A 133 23.027 2.218 1.680 1.00 0.00 C ATOM 1156 CG GLU A 133 24.249 3.131 1.821 1.00 0.00 C ATOM 1157 CD GLU A 133 24.487 3.569 3.266 1.00 0.00 C ATOM 1158 OE1 GLU A 133 23.659 4.335 3.806 1.00 0.00 O ATOM 1159 OE2 GLU A 133 25.559 3.214 3.810 1.00 0.00 O ATOM 0 H GLU A 133 20.733 1.984 0.842 1.00 0.00 H new ATOM 0 HA GLU A 133 23.220 2.741 -0.372 1.00 0.00 H new ATOM 0 HB2 GLU A 133 22.166 2.676 2.167 1.00 0.00 H new ATOM 0 HB3 GLU A 133 23.214 1.271 2.186 1.00 0.00 H new ATOM 0 HG2 GLU A 133 25.133 2.610 1.452 1.00 0.00 H new ATOM 0 HG3 GLU A 133 24.114 4.013 1.195 1.00 0.00 H new ATOM 1166 N GLN A 134 22.513 -0.487 -0.222 1.00 0.00 N ATOM 1167 CA GLN A 134 22.877 -1.751 -0.878 1.00 0.00 C ATOM 1168 C GLN A 134 22.970 -1.553 -2.396 1.00 0.00 C ATOM 1169 O GLN A 134 23.904 -2.050 -3.023 1.00 0.00 O ATOM 1170 CB GLN A 134 21.890 -2.906 -0.595 1.00 0.00 C ATOM 1171 CG GLN A 134 21.749 -3.347 0.869 1.00 0.00 C ATOM 1172 CD GLN A 134 20.850 -4.588 0.980 1.00 0.00 C ATOM 1173 OE1 GLN A 134 21.150 -5.661 0.465 1.00 0.00 O ATOM 1174 NE2 GLN A 134 19.719 -4.501 1.664 1.00 0.00 N ATOM 0 H GLN A 134 21.651 -0.535 0.322 1.00 0.00 H new ATOM 0 HA GLN A 134 23.842 -2.033 -0.457 1.00 0.00 H new ATOM 0 HB2 GLN A 134 20.906 -2.610 -0.958 1.00 0.00 H new ATOM 0 HB3 GLN A 134 22.199 -3.770 -1.183 1.00 0.00 H new ATOM 0 HG2 GLN A 134 22.733 -3.567 1.284 1.00 0.00 H new ATOM 0 HG3 GLN A 134 21.328 -2.533 1.460 1.00 0.00 H new ATOM 0 HE21 GLN A 134 19.453 -3.618 2.099 1.00 0.00 H new ATOM 0 HE22 GLN A 134 19.114 -5.317 1.756 1.00 0.00 H new ATOM 1183 N MET A 135 22.011 -0.840 -2.999 1.00 0.00 N ATOM 1184 CA MET A 135 21.972 -0.603 -4.437 1.00 0.00 C ATOM 1185 C MET A 135 23.003 0.427 -4.914 1.00 0.00 C ATOM 1186 O MET A 135 23.170 0.577 -6.121 1.00 0.00 O ATOM 1187 CB MET A 135 20.573 -0.111 -4.810 1.00 0.00 C ATOM 1188 CG MET A 135 19.487 -1.169 -4.603 1.00 0.00 C ATOM 1189 SD MET A 135 17.807 -0.494 -4.596 1.00 0.00 S ATOM 1190 CE MET A 135 17.854 0.553 -6.069 1.00 0.00 C ATOM 0 H MET A 135 21.236 -0.410 -2.493 1.00 0.00 H new ATOM 0 HA MET A 135 22.217 -1.546 -4.926 1.00 0.00 H new ATOM 0 HB2 MET A 135 20.333 0.769 -4.213 1.00 0.00 H new ATOM 0 HB3 MET A 135 20.571 0.203 -5.854 1.00 0.00 H new ATOM 0 HG2 MET A 135 19.565 -1.917 -5.392 1.00 0.00 H new ATOM 0 HG3 MET A 135 19.667 -1.682 -3.658 1.00 0.00 H new ATOM 0 HE1 MET A 135 16.904 0.480 -6.598 1.00 0.00 H new ATOM 0 HE2 MET A 135 18.027 1.588 -5.774 1.00 0.00 H new ATOM 0 HE3 MET A 135 18.660 0.223 -6.725 1.00 0.00 H new ATOM 1200 N GLY A 136 23.660 1.164 -4.009 1.00 0.00 N ATOM 1201 CA GLY A 136 24.666 2.155 -4.373 1.00 0.00 C ATOM 1202 C GLY A 136 24.110 3.558 -4.640 1.00 0.00 C ATOM 1203 O GLY A 136 24.832 4.400 -5.170 1.00 0.00 O ATOM 0 H GLY A 136 23.505 1.085 -3.004 1.00 0.00 H new ATOM 0 HA2 GLY A 136 25.403 2.217 -3.572 1.00 0.00 H new ATOM 0 HA3 GLY A 136 25.191 1.811 -5.264 1.00 0.00 H new ATOM 1207 N LEU A 137 22.855 3.858 -4.281 1.00 0.00 N ATOM 1208 CA LEU A 137 22.201 5.161 -4.501 1.00 0.00 C ATOM 1209 C LEU A 137 21.765 5.888 -3.219 1.00 0.00 C ATOM 1210 O LEU A 137 20.599 6.227 -3.007 1.00 0.00 O ATOM 1211 CB LEU A 137 21.388 5.311 -5.815 1.00 0.00 C ATOM 1212 CG LEU A 137 20.330 4.262 -6.154 1.00 0.00 C ATOM 1213 CD1 LEU A 137 20.891 2.996 -6.798 1.00 0.00 C ATOM 1214 CD2 LEU A 137 19.672 3.963 -4.833 1.00 0.00 C ATOM 0 H LEU A 137 22.247 3.184 -3.816 1.00 0.00 H new ATOM 0 HA LEU A 137 22.994 5.846 -4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 137 20.892 6.281 -5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 137 22.099 5.340 -6.641 1.00 0.00 H new ATOM 0 HG LEU A 137 19.638 4.641 -6.906 1.00 0.00 H new ATOM 0 HD11 LEU A 137 20.076 2.303 -7.007 1.00 0.00 H new ATOM 0 HD12 LEU A 137 21.396 3.254 -7.729 1.00 0.00 H new ATOM 0 HD13 LEU A 137 21.602 2.526 -6.118 1.00 0.00 H new ATOM 0 HD21 LEU A 137 18.892 3.215 -4.976 1.00 0.00 H new ATOM 0 HD22 LEU A 137 20.416 3.582 -4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 137 19.230 4.875 -4.432 1.00 0.00 H new ATOM 1226 N ARG A 138 22.739 6.257 -2.369 1.00 0.00 N ATOM 1227 CA ARG A 138 22.471 7.062 -1.174 1.00 0.00 C ATOM 1228 C ARG A 138 21.758 8.386 -1.470 1.00 0.00 C ATOM 1229 O ARG A 138 21.102 8.882 -0.570 1.00 0.00 O ATOM 1230 CB ARG A 138 23.767 7.289 -0.379 1.00 0.00 C ATOM 1231 CG ARG A 138 23.508 7.446 1.131 1.00 0.00 C ATOM 1232 CD ARG A 138 24.826 7.376 1.910 1.00 0.00 C ATOM 1233 NE ARG A 138 25.547 8.660 1.931 1.00 0.00 N ATOM 1234 CZ ARG A 138 26.875 8.835 1.966 1.00 0.00 C ATOM 1235 NH1 ARG A 138 27.697 7.807 2.113 1.00 0.00 N ATOM 1236 NH2 ARG A 138 27.370 10.059 1.833 1.00 0.00 N ATOM 0 H ARG A 138 23.720 6.007 -2.492 1.00 0.00 H new ATOM 0 HA ARG A 138 21.774 6.488 -0.563 1.00 0.00 H new ATOM 0 HB2 ARG A 138 24.443 6.450 -0.544 1.00 0.00 H new ATOM 0 HB3 ARG A 138 24.269 8.181 -0.754 1.00 0.00 H new ATOM 0 HG2 ARG A 138 23.014 8.398 1.325 1.00 0.00 H new ATOM 0 HG3 ARG A 138 22.833 6.662 1.474 1.00 0.00 H new ATOM 0 HD2 ARG A 138 24.621 7.063 2.934 1.00 0.00 H new ATOM 0 HD3 ARG A 138 25.465 6.613 1.465 1.00 0.00 H new ATOM 0 HE ARG A 138 24.975 9.505 1.917 1.00 0.00 H new ATOM 0 HH11 ARG A 138 27.322 6.863 2.202 1.00 0.00 H new ATOM 0 HH12 ARG A 138 28.705 7.960 2.137 1.00 0.00 H new ATOM 0 HH21 ARG A 138 26.742 10.852 1.706 1.00 0.00 H new ATOM 0 HH22 ARG A 138 28.379 10.207 1.858 1.00 0.00 H new ATOM 1250 N SER A 139 21.780 8.905 -2.701 1.00 0.00 N ATOM 1251 CA SER A 139 20.911 9.984 -3.167 1.00 0.00 C ATOM 1252 C SER A 139 19.456 9.837 -2.714 1.00 0.00 C ATOM 1253 O SER A 139 18.846 10.804 -2.259 1.00 0.00 O ATOM 1254 CB SER A 139 20.943 9.998 -4.695 1.00 0.00 C ATOM 1255 OG SER A 139 21.923 10.904 -5.136 1.00 0.00 O ATOM 0 H SER A 139 22.423 8.575 -3.421 1.00 0.00 H new ATOM 0 HA SER A 139 21.287 10.911 -2.734 1.00 0.00 H new ATOM 0 HB2 SER A 139 21.159 8.999 -5.074 1.00 0.00 H new ATOM 0 HB3 SER A 139 19.967 10.283 -5.087 1.00 0.00 H new ATOM 0 HG SER A 139 21.944 10.911 -6.116 1.00 0.00 H new ATOM 1261 N LEU A 140 18.875 8.646 -2.856 1.00 0.00 N ATOM 1262 CA LEU A 140 17.474 8.447 -2.518 1.00 0.00 C ATOM 1263 C LEU A 140 17.321 8.480 -0.995 1.00 0.00 C ATOM 1264 O LEU A 140 16.397 9.113 -0.491 1.00 0.00 O ATOM 1265 CB LEU A 140 16.967 7.133 -3.124 1.00 0.00 C ATOM 1266 CG LEU A 140 17.106 7.023 -4.657 1.00 0.00 C ATOM 1267 CD1 LEU A 140 16.805 5.611 -5.132 1.00 0.00 C ATOM 1268 CD2 LEU A 140 16.204 8.010 -5.419 1.00 0.00 C ATOM 0 H LEU A 140 19.352 7.813 -3.200 1.00 0.00 H new ATOM 0 HA LEU A 140 16.864 9.247 -2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 140 17.509 6.306 -2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 140 15.917 7.011 -2.860 1.00 0.00 H new ATOM 0 HG LEU A 140 18.142 7.280 -4.877 1.00 0.00 H new ATOM 0 HD11 LEU A 140 16.910 5.562 -6.216 1.00 0.00 H new ATOM 0 HD12 LEU A 140 17.503 4.914 -4.667 1.00 0.00 H new ATOM 0 HD13 LEU A 140 15.786 5.343 -4.854 1.00 0.00 H new ATOM 0 HD21 LEU A 140 16.349 7.882 -6.492 1.00 0.00 H new ATOM 0 HD22 LEU A 140 15.161 7.818 -5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 140 16.462 9.031 -5.137 1.00 0.00 H new ATOM 1280 N CYS A 141 18.256 7.857 -0.263 1.00 0.00 N ATOM 1281 CA CYS A 141 18.333 7.869 1.200 1.00 0.00 C ATOM 1282 C CYS A 141 18.436 9.308 1.731 1.00 0.00 C ATOM 1283 O CYS A 141 17.792 9.657 2.718 1.00 0.00 O ATOM 1284 CB CYS A 141 19.534 7.004 1.633 1.00 0.00 C ATOM 1285 SG CYS A 141 19.603 6.766 3.430 1.00 0.00 S ATOM 0 H CYS A 141 19.005 7.312 -0.691 1.00 0.00 H new ATOM 0 HA CYS A 141 17.423 7.448 1.627 1.00 0.00 H new ATOM 0 HB2 CYS A 141 19.474 6.032 1.143 1.00 0.00 H new ATOM 0 HB3 CYS A 141 20.458 7.475 1.296 1.00 0.00 H new ATOM 0 HG CYS A 141 20.632 6.030 3.731 1.00 0.00 H new ATOM 1291 N ALA A 142 19.248 10.127 1.064 1.00 0.00 N ATOM 1292 CA ALA A 142 19.473 11.533 1.319 1.00 0.00 C ATOM 1293 C ALA A 142 18.178 12.298 1.103 1.00 0.00 C ATOM 1294 O ALA A 142 17.579 12.725 2.083 1.00 0.00 O ATOM 1295 CB ALA A 142 20.606 12.025 0.414 1.00 0.00 C ATOM 0 H ALA A 142 19.802 9.792 0.276 1.00 0.00 H new ATOM 0 HA ALA A 142 19.777 11.700 2.352 1.00 0.00 H new ATOM 0 HB1 ALA A 142 20.784 13.084 0.598 1.00 0.00 H new ATOM 0 HB2 ALA A 142 21.514 11.462 0.629 1.00 0.00 H new ATOM 0 HB3 ALA A 142 20.327 11.880 -0.630 1.00 0.00 H new ATOM 1301 N GLN A 143 17.695 12.445 -0.137 1.00 0.00 N ATOM 1302 CA GLN A 143 16.502 13.241 -0.433 1.00 0.00 C ATOM 1303 C GLN A 143 15.299 12.802 0.419 1.00 0.00 C ATOM 1304 O GLN A 143 14.538 13.658 0.886 1.00 0.00 O ATOM 1305 CB GLN A 143 16.192 13.236 -1.937 1.00 0.00 C ATOM 1306 CG GLN A 143 17.198 14.081 -2.742 1.00 0.00 C ATOM 1307 CD GLN A 143 16.836 14.206 -4.226 1.00 0.00 C ATOM 1308 OE1 GLN A 143 15.983 13.493 -4.761 1.00 0.00 O ATOM 1309 NE2 GLN A 143 17.482 15.104 -4.952 1.00 0.00 N ATOM 0 H GLN A 143 18.120 12.016 -0.959 1.00 0.00 H new ATOM 0 HA GLN A 143 16.712 14.274 -0.156 1.00 0.00 H new ATOM 0 HB2 GLN A 143 16.205 12.210 -2.305 1.00 0.00 H new ATOM 0 HB3 GLN A 143 15.185 13.620 -2.100 1.00 0.00 H new ATOM 0 HG2 GLN A 143 17.256 15.078 -2.304 1.00 0.00 H new ATOM 0 HG3 GLN A 143 18.189 13.635 -2.653 1.00 0.00 H new ATOM 0 HE21 GLN A 143 18.189 15.698 -4.518 1.00 0.00 H new ATOM 0 HE22 GLN A 143 17.273 15.202 -5.946 1.00 0.00 H new ATOM 1318 N ALA A 144 15.172 11.498 0.702 1.00 0.00 N ATOM 1319 CA ALA A 144 14.155 10.948 1.588 1.00 0.00 C ATOM 1320 C ALA A 144 14.215 11.502 3.016 1.00 0.00 C ATOM 1321 O ALA A 144 13.157 11.593 3.631 1.00 0.00 O ATOM 1322 CB ALA A 144 14.197 9.418 1.569 1.00 0.00 C ATOM 0 H ALA A 144 15.790 10.787 0.310 1.00 0.00 H new ATOM 0 HA ALA A 144 13.192 11.276 1.197 1.00 0.00 H new ATOM 0 HB1 ALA A 144 13.430 9.025 2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 144 14.013 9.062 0.555 1.00 0.00 H new ATOM 0 HB3 ALA A 144 15.177 9.077 1.901 1.00 0.00 H new ATOM 1328 N GLN A 145 15.373 11.895 3.547 1.00 0.00 N ATOM 1329 CA GLN A 145 15.519 12.459 4.894 1.00 0.00 C ATOM 1330 C GLN A 145 15.631 13.981 4.846 1.00 0.00 C ATOM 1331 O GLN A 145 15.278 14.690 5.784 1.00 0.00 O ATOM 1332 CB GLN A 145 16.777 11.888 5.552 1.00 0.00 C ATOM 1333 CG GLN A 145 16.472 10.505 6.125 1.00 0.00 C ATOM 1334 CD GLN A 145 17.668 9.957 6.883 1.00 0.00 C ATOM 1335 OE1 GLN A 145 18.038 10.469 7.936 1.00 0.00 O ATOM 1336 NE2 GLN A 145 18.313 8.940 6.346 1.00 0.00 N ATOM 0 H GLN A 145 16.257 11.830 3.043 1.00 0.00 H new ATOM 0 HA GLN A 145 14.634 12.193 5.472 1.00 0.00 H new ATOM 0 HB2 GLN A 145 17.583 11.821 4.822 1.00 0.00 H new ATOM 0 HB3 GLN A 145 17.120 12.554 6.344 1.00 0.00 H new ATOM 0 HG2 GLN A 145 15.611 10.564 6.790 1.00 0.00 H new ATOM 0 HG3 GLN A 145 16.205 9.823 5.318 1.00 0.00 H new ATOM 0 HE21 GLN A 145 17.985 8.533 5.470 1.00 0.00 H new ATOM 0 HE22 GLN A 145 19.140 8.560 6.806 1.00 0.00 H new