USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=13 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 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -1.05 X(o=-1,f=-0.76) USER MOD Single : A 88 ASN : amide:sc=-0.00425 X(o=-0.0042,f=-0.43) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 171:sc= -0.0206 (180deg=-0.219) USER MOD Single : A 113 SER OG : rot 45:sc= 0.382 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -0.0804 X(o=-0.08,f=-0.08) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= 0.185 K(o=0.18,f=-3.5!) USER MOD Single : A 130 HIS :FLIP no HD1:sc= -0.565 F(o=-1.3,f=-0.56) USER MOD Single : A 131 THR OG1 : rot 84:sc= 1.25 USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 135 MET CE :methyl 144:sc= -1.6 (180deg=-2.27) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 141 CYS SG : rot 180:sc=-0.00309 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 145 GLN : amide:sc= 0.413 X(o=0.41,f=0) USER MOD ----------------------------------------------------------------- ATOM 52 N TRP A 64 2.065 5.927 4.003 1.00 0.00 N ATOM 53 CA TRP A 64 3.143 6.283 3.084 1.00 0.00 C ATOM 54 C TRP A 64 2.803 7.638 2.462 1.00 0.00 C ATOM 55 O TRP A 64 1.792 8.256 2.796 1.00 0.00 O ATOM 56 CB TRP A 64 3.375 5.151 2.074 1.00 0.00 C ATOM 57 CG TRP A 64 2.153 4.621 1.408 1.00 0.00 C ATOM 58 CD1 TRP A 64 1.483 3.524 1.811 1.00 0.00 C ATOM 59 CD2 TRP A 64 1.391 5.175 0.296 1.00 0.00 C ATOM 60 NE1 TRP A 64 0.339 3.386 1.064 1.00 0.00 N ATOM 61 CE2 TRP A 64 0.221 4.382 0.117 1.00 0.00 C ATOM 62 CE3 TRP A 64 1.556 6.281 -0.563 1.00 0.00 C ATOM 63 CZ2 TRP A 64 -0.753 4.697 -0.843 1.00 0.00 C ATOM 64 CZ3 TRP A 64 0.583 6.618 -1.517 1.00 0.00 C ATOM 65 CH2 TRP A 64 -0.575 5.836 -1.649 1.00 0.00 C ATOM 0 HA TRP A 64 4.098 6.395 3.598 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.059 5.509 1.305 1.00 0.00 H new ATOM 0 HB3 TRP A 64 3.874 4.328 2.586 1.00 0.00 H new ATOM 0 HD1 TRP A 64 1.797 2.856 2.600 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.341 2.637 1.194 1.00 0.00 H new ATOM 0 HE3 TRP A 64 2.450 6.882 -0.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -1.627 4.074 -0.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 0.726 7.481 -2.151 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -1.331 6.109 -2.371 1.00 0.00 H new ATOM 76 N GLY A 65 3.647 8.135 1.560 1.00 0.00 N ATOM 77 CA GLY A 65 3.347 9.337 0.804 1.00 0.00 C ATOM 78 C GLY A 65 4.263 9.424 -0.403 1.00 0.00 C ATOM 79 O GLY A 65 4.150 8.625 -1.332 1.00 0.00 O ATOM 0 H GLY A 65 4.550 7.716 1.338 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.306 9.325 0.482 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.476 10.217 1.435 1.00 0.00 H new ATOM 83 N ARG A 66 5.235 10.341 -0.369 1.00 0.00 N ATOM 84 CA ARG A 66 6.219 10.524 -1.439 1.00 0.00 C ATOM 85 C ARG A 66 7.086 9.282 -1.660 1.00 0.00 C ATOM 86 O ARG A 66 7.757 9.216 -2.688 1.00 0.00 O ATOM 87 CB ARG A 66 7.070 11.780 -1.168 1.00 0.00 C ATOM 88 CG ARG A 66 6.269 13.085 -1.335 1.00 0.00 C ATOM 89 CD ARG A 66 6.260 13.566 -2.795 1.00 0.00 C ATOM 90 NE ARG A 66 5.175 14.530 -3.060 1.00 0.00 N ATOM 91 CZ ARG A 66 3.927 14.237 -3.450 1.00 0.00 C ATOM 92 NH1 ARG A 66 3.550 12.974 -3.618 1.00 0.00 N ATOM 93 NH2 ARG A 66 3.046 15.203 -3.694 1.00 0.00 N ATOM 0 H ARG A 66 5.362 10.985 0.412 1.00 0.00 H new ATOM 0 HA ARG A 66 5.673 10.672 -2.370 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.471 11.731 -0.156 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.922 11.791 -1.848 1.00 0.00 H new ATOM 0 HG2 ARG A 66 5.244 12.928 -0.998 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.699 13.859 -0.700 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.219 14.028 -3.029 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.150 12.707 -3.457 1.00 0.00 H new ATOM 0 HE ARG A 66 5.397 15.518 -2.934 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.213 12.217 -3.450 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.598 12.761 -3.915 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.317 16.180 -3.585 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.099 14.967 -3.990 1.00 0.00 H new ATOM 107 N LEU A 67 7.007 8.267 -0.786 1.00 0.00 N ATOM 108 CA LEU A 67 7.550 6.926 -1.018 1.00 0.00 C ATOM 109 C LEU A 67 7.255 6.484 -2.452 1.00 0.00 C ATOM 110 O LEU A 67 8.172 6.201 -3.217 1.00 0.00 O ATOM 111 CB LEU A 67 6.997 5.860 -0.048 1.00 0.00 C ATOM 112 CG LEU A 67 6.957 6.166 1.462 1.00 0.00 C ATOM 113 CD1 LEU A 67 6.859 4.838 2.218 1.00 0.00 C ATOM 114 CD2 LEU A 67 8.158 6.950 1.969 1.00 0.00 C ATOM 0 H LEU A 67 6.552 8.361 0.122 1.00 0.00 H new ATOM 0 HA LEU A 67 8.623 7.001 -0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.980 5.626 -0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.588 4.955 -0.184 1.00 0.00 H new ATOM 0 HG LEU A 67 6.089 6.802 1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.829 5.031 3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.951 4.315 1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.727 4.221 1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.053 7.124 3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.069 6.382 1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.214 7.907 1.450 1.00 0.00 H new ATOM 126 N ALA A 68 5.981 6.492 -2.850 1.00 0.00 N ATOM 127 CA ALA A 68 5.527 6.048 -4.162 1.00 0.00 C ATOM 128 C ALA A 68 5.921 6.990 -5.312 1.00 0.00 C ATOM 129 O ALA A 68 5.533 6.724 -6.448 1.00 0.00 O ATOM 130 CB ALA A 68 4.017 5.827 -4.124 1.00 0.00 C ATOM 0 H ALA A 68 5.221 6.816 -2.252 1.00 0.00 H new ATOM 0 HA ALA A 68 6.039 5.110 -4.377 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.673 5.495 -5.104 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.779 5.068 -3.379 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.519 6.761 -3.862 1.00 0.00 H new ATOM 136 N CYS A 69 6.627 8.092 -5.038 1.00 0.00 N ATOM 137 CA CYS A 69 7.282 8.938 -6.029 1.00 0.00 C ATOM 138 C CYS A 69 8.737 8.486 -6.200 1.00 0.00 C ATOM 139 O CYS A 69 9.218 8.332 -7.324 1.00 0.00 O ATOM 140 CB CYS A 69 7.248 10.394 -5.548 1.00 0.00 C ATOM 141 SG CYS A 69 7.563 11.502 -6.938 1.00 0.00 S ATOM 0 H CYS A 69 6.760 8.427 -4.084 1.00 0.00 H new ATOM 0 HA CYS A 69 6.764 8.857 -6.985 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.278 10.618 -5.105 1.00 0.00 H new ATOM 0 HB3 CYS A 69 7.997 10.548 -4.771 1.00 0.00 H new ATOM 0 HG CYS A 69 7.531 12.735 -6.526 1.00 0.00 H new ATOM 147 N TYR A 70 9.451 8.260 -5.092 1.00 0.00 N ATOM 148 CA TYR A 70 10.824 7.759 -5.098 1.00 0.00 C ATOM 149 C TYR A 70 10.867 6.380 -5.753 1.00 0.00 C ATOM 150 O TYR A 70 11.676 6.133 -6.647 1.00 0.00 O ATOM 151 CB TYR A 70 11.366 7.713 -3.659 1.00 0.00 C ATOM 152 CG TYR A 70 11.222 9.013 -2.891 1.00 0.00 C ATOM 153 CD1 TYR A 70 11.563 10.240 -3.494 1.00 0.00 C ATOM 154 CD2 TYR A 70 10.689 8.999 -1.589 1.00 0.00 C ATOM 155 CE1 TYR A 70 11.313 11.448 -2.823 1.00 0.00 C ATOM 156 CE2 TYR A 70 10.426 10.203 -0.916 1.00 0.00 C ATOM 157 CZ TYR A 70 10.727 11.433 -1.538 1.00 0.00 C ATOM 158 OH TYR A 70 10.442 12.597 -0.903 1.00 0.00 O ATOM 0 H TYR A 70 9.084 8.423 -4.155 1.00 0.00 H new ATOM 0 HA TYR A 70 11.459 8.429 -5.678 1.00 0.00 H new ATOM 0 HB2 TYR A 70 10.847 6.924 -3.114 1.00 0.00 H new ATOM 0 HB3 TYR A 70 12.420 7.439 -3.690 1.00 0.00 H new ATOM 0 HD1 TYR A 70 12.017 10.251 -4.474 1.00 0.00 H new ATOM 0 HD2 TYR A 70 10.481 8.057 -1.104 1.00 0.00 H new ATOM 0 HE1 TYR A 70 11.569 12.388 -3.289 1.00 0.00 H new ATOM 0 HE2 TYR A 70 9.995 10.188 0.074 1.00 0.00 H new ATOM 0 HH TYR A 70 10.042 12.404 -0.030 1.00 0.00 H new ATOM 168 N LEU A 71 9.942 5.505 -5.361 1.00 0.00 N ATOM 169 CA LEU A 71 9.788 4.162 -5.903 1.00 0.00 C ATOM 170 C LEU A 71 9.188 4.177 -7.326 1.00 0.00 C ATOM 171 O LEU A 71 8.876 3.124 -7.879 1.00 0.00 O ATOM 172 CB LEU A 71 8.990 3.290 -4.908 1.00 0.00 C ATOM 173 CG LEU A 71 9.578 3.192 -3.478 1.00 0.00 C ATOM 174 CD1 LEU A 71 8.754 2.219 -2.628 1.00 0.00 C ATOM 175 CD2 LEU A 71 11.032 2.718 -3.456 1.00 0.00 C ATOM 0 H LEU A 71 9.259 5.721 -4.635 1.00 0.00 H new ATOM 0 HA LEU A 71 10.773 3.709 -6.020 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.977 3.686 -4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.911 2.283 -5.318 1.00 0.00 H new ATOM 0 HG LEU A 71 9.540 4.203 -3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.179 2.161 -1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.725 2.572 -2.565 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.771 1.231 -3.087 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.384 2.671 -2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.099 1.728 -3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.651 3.417 -4.019 1.00 0.00 H new ATOM 187 N GLU A 72 9.015 5.353 -7.939 1.00 0.00 N ATOM 188 CA GLU A 72 8.526 5.610 -9.284 1.00 0.00 C ATOM 189 C GLU A 72 9.528 6.544 -10.006 1.00 0.00 C ATOM 190 O GLU A 72 9.213 7.159 -11.027 1.00 0.00 O ATOM 191 CB GLU A 72 7.102 6.155 -9.089 1.00 0.00 C ATOM 192 CG GLU A 72 6.316 6.669 -10.290 1.00 0.00 C ATOM 193 CD GLU A 72 6.027 5.654 -11.397 1.00 0.00 C ATOM 194 OE1 GLU A 72 6.942 5.286 -12.165 1.00 0.00 O ATOM 195 OE2 GLU A 72 4.836 5.370 -11.664 1.00 0.00 O ATOM 0 H GLU A 72 9.236 6.224 -7.456 1.00 0.00 H new ATOM 0 HA GLU A 72 8.462 4.739 -9.937 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.511 5.363 -8.629 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.162 6.969 -8.367 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.365 7.065 -9.932 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.865 7.504 -10.726 1.00 0.00 H new ATOM 202 N PHE A 73 10.761 6.667 -9.490 1.00 0.00 N ATOM 203 CA PHE A 73 11.920 6.975 -10.322 1.00 0.00 C ATOM 204 C PHE A 73 12.344 5.663 -10.989 1.00 0.00 C ATOM 205 O PHE A 73 12.347 5.570 -12.214 1.00 0.00 O ATOM 206 CB PHE A 73 13.041 7.675 -9.512 1.00 0.00 C ATOM 207 CG PHE A 73 14.376 6.954 -9.421 1.00 0.00 C ATOM 208 CD1 PHE A 73 15.223 6.859 -10.544 1.00 0.00 C ATOM 209 CD2 PHE A 73 14.735 6.297 -8.233 1.00 0.00 C ATOM 210 CE1 PHE A 73 16.412 6.113 -10.474 1.00 0.00 C ATOM 211 CE2 PHE A 73 15.921 5.548 -8.171 1.00 0.00 C ATOM 212 CZ PHE A 73 16.766 5.463 -9.285 1.00 0.00 C ATOM 0 H PHE A 73 10.974 6.557 -8.499 1.00 0.00 H new ATOM 0 HA PHE A 73 11.677 7.702 -11.097 1.00 0.00 H new ATOM 0 HB2 PHE A 73 13.215 8.657 -9.952 1.00 0.00 H new ATOM 0 HB3 PHE A 73 12.675 7.840 -8.499 1.00 0.00 H new ATOM 0 HD1 PHE A 73 14.957 7.362 -11.462 1.00 0.00 H new ATOM 0 HD2 PHE A 73 14.097 6.368 -7.364 1.00 0.00 H new ATOM 0 HE1 PHE A 73 17.054 6.041 -11.339 1.00 0.00 H new ATOM 0 HE2 PHE A 73 16.184 5.034 -7.258 1.00 0.00 H new ATOM 0 HZ PHE A 73 17.685 4.899 -9.227 1.00 0.00 H new ATOM 222 N LEU A 74 12.699 4.657 -10.188 1.00 0.00 N ATOM 223 CA LEU A 74 13.322 3.426 -10.655 1.00 0.00 C ATOM 224 C LEU A 74 12.304 2.440 -11.228 1.00 0.00 C ATOM 225 O LEU A 74 11.088 2.575 -11.052 1.00 0.00 O ATOM 226 CB LEU A 74 14.208 2.783 -9.566 1.00 0.00 C ATOM 227 CG LEU A 74 13.780 2.924 -8.094 1.00 0.00 C ATOM 228 CD1 LEU A 74 12.460 2.217 -7.813 1.00 0.00 C ATOM 229 CD2 LEU A 74 14.866 2.367 -7.166 1.00 0.00 C ATOM 0 H LEU A 74 12.557 4.679 -9.178 1.00 0.00 H new ATOM 0 HA LEU A 74 13.980 3.700 -11.479 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.287 1.719 -9.788 1.00 0.00 H new ATOM 0 HB3 LEU A 74 15.209 3.203 -9.662 1.00 0.00 H new ATOM 0 HG LEU A 74 13.641 3.988 -7.901 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.196 2.342 -6.763 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.677 2.647 -8.437 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.561 1.155 -8.037 1.00 0.00 H new ATOM 0 HD21 LEU A 74 14.548 2.474 -6.129 1.00 0.00 H new ATOM 0 HD22 LEU A 74 15.029 1.312 -7.389 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.794 2.918 -7.320 1.00 0.00 H new ATOM 241 N LYS A 75 12.825 1.420 -11.915 1.00 0.00 N ATOM 242 CA LYS A 75 12.062 0.390 -12.624 1.00 0.00 C ATOM 243 C LYS A 75 12.598 -0.992 -12.258 1.00 0.00 C ATOM 244 O LYS A 75 13.217 -1.132 -11.205 1.00 0.00 O ATOM 245 CB LYS A 75 12.047 0.677 -14.135 1.00 0.00 C ATOM 246 CG LYS A 75 11.531 2.086 -14.464 1.00 0.00 C ATOM 247 CD LYS A 75 11.081 2.149 -15.923 1.00 0.00 C ATOM 248 CE LYS A 75 10.731 3.591 -16.285 1.00 0.00 C ATOM 249 NZ LYS A 75 9.844 3.664 -17.456 1.00 0.00 N ATOM 0 H LYS A 75 13.833 1.284 -11.996 1.00 0.00 H new ATOM 0 HA LYS A 75 11.018 0.409 -12.311 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.055 0.561 -14.533 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.420 -0.061 -14.635 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.699 2.341 -13.807 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.316 2.821 -14.285 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.873 1.781 -16.575 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.216 1.504 -16.076 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.249 4.072 -15.434 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.647 4.147 -16.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.631 4.659 -17.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.314 3.228 -18.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.959 3.156 -17.254 1.00 0.00 H new ATOM 263 N LYS A 76 12.326 -2.041 -13.042 1.00 0.00 N ATOM 264 CA LYS A 76 12.659 -3.431 -12.709 1.00 0.00 C ATOM 265 C LYS A 76 14.159 -3.623 -12.501 1.00 0.00 C ATOM 266 O LYS A 76 14.522 -4.573 -11.813 1.00 0.00 O ATOM 267 CB LYS A 76 12.185 -4.441 -13.776 1.00 0.00 C ATOM 268 CG LYS A 76 10.670 -4.484 -14.043 1.00 0.00 C ATOM 269 CD LYS A 76 10.238 -3.459 -15.101 1.00 0.00 C ATOM 270 CE LYS A 76 8.727 -3.499 -15.332 1.00 0.00 C ATOM 271 NZ LYS A 76 8.287 -2.258 -15.997 1.00 0.00 N ATOM 0 H LYS A 76 11.859 -1.946 -13.944 1.00 0.00 H new ATOM 0 HA LYS A 76 12.125 -3.630 -11.779 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.692 -4.213 -14.713 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.508 -5.437 -13.473 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.389 -5.484 -14.373 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.133 -4.292 -13.114 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.533 -2.459 -14.783 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.756 -3.661 -16.038 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.467 -4.362 -15.945 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.208 -3.616 -14.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.259 -2.292 -16.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.520 -1.441 -15.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.771 -2.164 -16.913 1.00 0.00 H new ATOM 285 N GLU A 77 15.001 -2.733 -13.031 1.00 0.00 N ATOM 286 CA GLU A 77 16.421 -2.646 -12.710 1.00 0.00 C ATOM 287 C GLU A 77 16.609 -2.733 -11.194 1.00 0.00 C ATOM 288 O GLU A 77 17.252 -3.648 -10.690 1.00 0.00 O ATOM 289 CB GLU A 77 17.013 -1.317 -13.219 1.00 0.00 C ATOM 290 CG GLU A 77 16.890 -1.111 -14.731 1.00 0.00 C ATOM 291 CD GLU A 77 17.706 0.085 -15.241 1.00 0.00 C ATOM 292 OE1 GLU A 77 18.039 1.013 -14.467 1.00 0.00 O ATOM 293 OE2 GLU A 77 18.001 0.110 -16.463 1.00 0.00 O ATOM 0 H GLU A 77 14.703 -2.036 -13.713 1.00 0.00 H new ATOM 0 HA GLU A 77 16.938 -3.472 -13.198 1.00 0.00 H new ATOM 0 HB2 GLU A 77 16.515 -0.492 -12.710 1.00 0.00 H new ATOM 0 HB3 GLU A 77 18.066 -1.272 -12.942 1.00 0.00 H new ATOM 0 HG2 GLU A 77 17.221 -2.014 -15.243 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.841 -0.964 -14.988 1.00 0.00 H new ATOM 300 N GLU A 78 15.986 -1.809 -10.463 1.00 0.00 N ATOM 301 CA GLU A 78 16.411 -1.430 -9.126 1.00 0.00 C ATOM 302 C GLU A 78 15.258 -1.591 -8.139 1.00 0.00 C ATOM 303 O GLU A 78 15.486 -1.939 -6.987 1.00 0.00 O ATOM 304 CB GLU A 78 16.842 0.038 -9.156 1.00 0.00 C ATOM 305 CG GLU A 78 18.151 0.386 -9.869 1.00 0.00 C ATOM 306 CD GLU A 78 18.268 1.913 -9.923 1.00 0.00 C ATOM 307 OE1 GLU A 78 18.101 2.547 -8.865 1.00 0.00 O ATOM 308 OE2 GLU A 78 18.419 2.468 -11.042 1.00 0.00 O ATOM 0 H GLU A 78 15.165 -1.301 -10.790 1.00 0.00 H new ATOM 0 HA GLU A 78 17.236 -2.069 -8.811 1.00 0.00 H new ATOM 0 HB2 GLU A 78 16.043 0.612 -9.626 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.920 0.385 -8.126 1.00 0.00 H new ATOM 0 HG2 GLU A 78 19.000 -0.043 -9.337 1.00 0.00 H new ATOM 0 HG3 GLU A 78 18.160 -0.033 -10.875 1.00 0.00 H new ATOM 315 N LEU A 79 14.005 -1.395 -8.569 1.00 0.00 N ATOM 316 CA LEU A 79 12.821 -1.632 -7.748 1.00 0.00 C ATOM 317 C LEU A 79 12.807 -3.074 -7.264 1.00 0.00 C ATOM 318 O LEU A 79 12.430 -3.363 -6.133 1.00 0.00 O ATOM 319 CB LEU A 79 11.547 -1.382 -8.582 1.00 0.00 C ATOM 320 CG LEU A 79 10.251 -1.478 -7.750 1.00 0.00 C ATOM 321 CD1 LEU A 79 10.105 -0.329 -6.746 1.00 0.00 C ATOM 322 CD2 LEU A 79 9.046 -1.527 -8.691 1.00 0.00 C ATOM 0 H LEU A 79 13.787 -1.063 -9.509 1.00 0.00 H new ATOM 0 HA LEU A 79 12.847 -0.954 -6.895 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.607 -0.394 -9.038 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.504 -2.106 -9.395 1.00 0.00 H new ATOM 0 HG LEU A 79 10.302 -2.395 -7.163 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.176 -0.448 -6.189 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.947 -0.341 -6.054 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.088 0.621 -7.280 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.129 -1.595 -8.105 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.022 -0.623 -9.299 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.127 -2.399 -9.341 1.00 0.00 H new ATOM 334 N LYS A 80 13.157 -3.982 -8.170 1.00 0.00 N ATOM 335 CA LYS A 80 13.171 -5.422 -7.946 1.00 0.00 C ATOM 336 C LYS A 80 14.307 -5.768 -7.008 1.00 0.00 C ATOM 337 O LYS A 80 14.028 -6.456 -6.030 1.00 0.00 O ATOM 338 CB LYS A 80 13.235 -6.119 -9.310 1.00 0.00 C ATOM 339 CG LYS A 80 12.837 -7.597 -9.314 1.00 0.00 C ATOM 340 CD LYS A 80 13.868 -8.536 -8.673 1.00 0.00 C ATOM 341 CE LYS A 80 13.348 -9.204 -7.401 1.00 0.00 C ATOM 342 NZ LYS A 80 12.369 -10.271 -7.670 1.00 0.00 N ATOM 0 H LYS A 80 13.449 -3.725 -9.113 1.00 0.00 H new ATOM 0 HA LYS A 80 12.264 -5.775 -7.455 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.585 -5.584 -10.003 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.251 -6.033 -9.695 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.889 -7.706 -8.788 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.668 -7.912 -10.344 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.150 -9.305 -9.393 1.00 0.00 H new ATOM 0 HD3 LYS A 80 14.771 -7.972 -8.439 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.189 -9.621 -6.847 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.888 -8.449 -6.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.053 -10.687 -6.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.551 -9.873 -8.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.811 -11.008 -8.255 1.00 0.00 H new ATOM 356 N GLU A 81 15.522 -5.262 -7.222 1.00 0.00 N ATOM 357 CA GLU A 81 16.599 -5.385 -6.245 1.00 0.00 C ATOM 358 C GLU A 81 16.109 -4.901 -4.891 1.00 0.00 C ATOM 359 O GLU A 81 16.097 -5.670 -3.945 1.00 0.00 O ATOM 360 CB GLU A 81 17.851 -4.627 -6.690 1.00 0.00 C ATOM 361 CG GLU A 81 18.603 -5.466 -7.722 1.00 0.00 C ATOM 362 CD GLU A 81 19.846 -4.728 -8.215 1.00 0.00 C ATOM 363 OE1 GLU A 81 19.699 -3.668 -8.867 1.00 0.00 O ATOM 364 OE2 GLU A 81 20.971 -5.193 -7.930 1.00 0.00 O ATOM 0 H GLU A 81 15.784 -4.760 -8.070 1.00 0.00 H new ATOM 0 HA GLU A 81 16.882 -6.435 -6.164 1.00 0.00 H new ATOM 0 HB2 GLU A 81 17.575 -3.663 -7.118 1.00 0.00 H new ATOM 0 HB3 GLU A 81 18.492 -4.423 -5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 81 18.891 -6.421 -7.282 1.00 0.00 H new ATOM 0 HG3 GLU A 81 17.948 -5.688 -8.564 1.00 0.00 H new ATOM 371 N PHE A 82 15.586 -3.687 -4.799 1.00 0.00 N ATOM 372 CA PHE A 82 15.117 -3.102 -3.553 1.00 0.00 C ATOM 373 C PHE A 82 13.898 -3.811 -2.950 1.00 0.00 C ATOM 374 O PHE A 82 13.544 -3.527 -1.811 1.00 0.00 O ATOM 375 CB PHE A 82 14.769 -1.655 -3.856 1.00 0.00 C ATOM 376 CG PHE A 82 14.550 -0.738 -2.674 1.00 0.00 C ATOM 377 CD1 PHE A 82 15.606 0.035 -2.164 1.00 0.00 C ATOM 378 CD2 PHE A 82 13.250 -0.543 -2.182 1.00 0.00 C ATOM 379 CE1 PHE A 82 15.348 1.035 -1.218 1.00 0.00 C ATOM 380 CE2 PHE A 82 12.983 0.527 -1.315 1.00 0.00 C ATOM 381 CZ PHE A 82 14.032 1.325 -0.837 1.00 0.00 C ATOM 0 H PHE A 82 15.474 -3.070 -5.604 1.00 0.00 H new ATOM 0 HA PHE A 82 15.906 -3.201 -2.807 1.00 0.00 H new ATOM 0 HB2 PHE A 82 15.569 -1.235 -4.466 1.00 0.00 H new ATOM 0 HB3 PHE A 82 13.865 -1.645 -4.464 1.00 0.00 H new ATOM 0 HD1 PHE A 82 16.617 -0.142 -2.501 1.00 0.00 H new ATOM 0 HD2 PHE A 82 12.456 -1.216 -2.471 1.00 0.00 H new ATOM 0 HE1 PHE A 82 16.168 1.585 -0.780 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.967 0.737 -1.015 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.827 2.157 -0.180 1.00 0.00 H new ATOM 391 N GLN A 83 13.224 -4.703 -3.683 1.00 0.00 N ATOM 392 CA GLN A 83 12.190 -5.582 -3.141 1.00 0.00 C ATOM 393 C GLN A 83 12.874 -6.805 -2.524 1.00 0.00 C ATOM 394 O GLN A 83 12.505 -7.288 -1.457 1.00 0.00 O ATOM 395 CB GLN A 83 11.211 -6.025 -4.249 1.00 0.00 C ATOM 396 CG GLN A 83 9.732 -6.004 -3.820 1.00 0.00 C ATOM 397 CD GLN A 83 9.174 -7.209 -3.052 1.00 0.00 C ATOM 398 OE1 GLN A 83 7.977 -7.257 -2.798 1.00 0.00 O ATOM 399 NE2 GLN A 83 9.958 -8.218 -2.714 1.00 0.00 N ATOM 0 H GLN A 83 13.385 -4.834 -4.682 1.00 0.00 H new ATOM 0 HA GLN A 83 11.616 -5.047 -2.384 1.00 0.00 H new ATOM 0 HB2 GLN A 83 11.338 -5.374 -5.114 1.00 0.00 H new ATOM 0 HB3 GLN A 83 11.472 -7.034 -4.569 1.00 0.00 H new ATOM 0 HG2 GLN A 83 9.579 -5.118 -3.203 1.00 0.00 H new ATOM 0 HG3 GLN A 83 9.128 -5.875 -4.718 1.00 0.00 H new ATOM 0 HE21 GLN A 83 10.955 -8.181 -2.924 1.00 0.00 H new ATOM 0 HE22 GLN A 83 9.566 -9.033 -2.243 1.00 0.00 H new ATOM 408 N LEU A 84 13.846 -7.350 -3.246 1.00 0.00 N ATOM 409 CA LEU A 84 14.508 -8.610 -2.976 1.00 0.00 C ATOM 410 C LEU A 84 15.520 -8.443 -1.856 1.00 0.00 C ATOM 411 O LEU A 84 15.432 -9.130 -0.844 1.00 0.00 O ATOM 412 CB LEU A 84 15.023 -9.174 -4.308 1.00 0.00 C ATOM 413 CG LEU A 84 16.532 -9.190 -4.611 1.00 0.00 C ATOM 414 CD1 LEU A 84 17.189 -10.330 -3.828 1.00 0.00 C ATOM 415 CD2 LEU A 84 16.780 -9.408 -6.106 1.00 0.00 C ATOM 0 H LEU A 84 14.210 -6.894 -4.082 1.00 0.00 H new ATOM 0 HA LEU A 84 13.832 -9.370 -2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 84 14.668 -10.202 -4.383 1.00 0.00 H new ATOM 0 HB3 LEU A 84 14.539 -8.611 -5.106 1.00 0.00 H new ATOM 0 HG LEU A 84 16.958 -8.231 -4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 84 18.258 -10.347 -4.038 1.00 0.00 H new ATOM 0 HD12 LEU A 84 17.032 -10.176 -2.760 1.00 0.00 H new ATOM 0 HD13 LEU A 84 16.745 -11.280 -4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 84 17.853 -9.416 -6.299 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.349 -10.362 -6.411 1.00 0.00 H new ATOM 0 HD23 LEU A 84 16.315 -8.602 -6.673 1.00 0.00 H new ATOM 427 N LEU A 85 16.444 -7.498 -1.993 1.00 0.00 N ATOM 428 CA LEU A 85 17.432 -7.170 -0.984 1.00 0.00 C ATOM 429 C LEU A 85 16.748 -6.719 0.309 1.00 0.00 C ATOM 430 O LEU A 85 17.328 -6.847 1.383 1.00 0.00 O ATOM 431 CB LEU A 85 18.371 -6.059 -1.494 1.00 0.00 C ATOM 432 CG LEU A 85 19.137 -6.371 -2.794 1.00 0.00 C ATOM 433 CD1 LEU A 85 19.938 -5.145 -3.234 1.00 0.00 C ATOM 434 CD2 LEU A 85 20.059 -7.579 -2.640 1.00 0.00 C ATOM 0 H LEU A 85 16.524 -6.926 -2.834 1.00 0.00 H new ATOM 0 HA LEU A 85 18.020 -8.064 -0.778 1.00 0.00 H new ATOM 0 HB2 LEU A 85 17.782 -5.155 -1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.097 -5.836 -0.712 1.00 0.00 H new ATOM 0 HG LEU A 85 18.402 -6.620 -3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 85 20.477 -5.373 -4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 85 19.259 -4.310 -3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 85 20.650 -4.876 -2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 85 20.579 -7.762 -3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 85 20.789 -7.382 -1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 85 19.468 -8.456 -2.375 1.00 0.00 H new ATOM 446 N LEU A 86 15.500 -6.248 0.225 1.00 0.00 N ATOM 447 CA LEU A 86 14.652 -5.899 1.347 1.00 0.00 C ATOM 448 C LEU A 86 14.333 -7.184 2.108 1.00 0.00 C ATOM 449 O LEU A 86 14.651 -7.284 3.293 1.00 0.00 O ATOM 450 CB LEU A 86 13.419 -5.133 0.806 1.00 0.00 C ATOM 451 CG LEU A 86 12.024 -5.494 1.343 1.00 0.00 C ATOM 452 CD1 LEU A 86 11.953 -5.196 2.827 1.00 0.00 C ATOM 453 CD2 LEU A 86 10.923 -4.720 0.624 1.00 0.00 C ATOM 0 H LEU A 86 15.041 -6.096 -0.673 1.00 0.00 H new ATOM 0 HA LEU A 86 15.131 -5.228 2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.581 -4.072 0.997 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.399 -5.263 -0.276 1.00 0.00 H new ATOM 0 HG LEU A 86 11.867 -6.557 1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.963 -5.453 3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.705 -5.785 3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.140 -4.135 2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.953 -5.003 1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.078 -3.650 0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.951 -4.953 -0.441 1.00 0.00 H new ATOM 465 N ALA A 87 13.708 -8.165 1.449 1.00 0.00 N ATOM 466 CA ALA A 87 13.333 -9.419 2.091 1.00 0.00 C ATOM 467 C ALA A 87 14.580 -10.160 2.585 1.00 0.00 C ATOM 468 O ALA A 87 14.538 -10.798 3.634 1.00 0.00 O ATOM 469 CB ALA A 87 12.531 -10.277 1.107 1.00 0.00 C ATOM 0 H ALA A 87 13.452 -8.109 0.463 1.00 0.00 H new ATOM 0 HA ALA A 87 12.708 -9.210 2.959 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.250 -11.215 1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.631 -9.740 0.806 1.00 0.00 H new ATOM 0 HB3 ALA A 87 13.140 -10.487 0.228 1.00 0.00 H new ATOM 475 N ASN A 88 15.692 -10.003 1.861 1.00 0.00 N ATOM 476 CA ASN A 88 16.990 -10.575 2.211 1.00 0.00 C ATOM 477 C ASN A 88 17.467 -9.998 3.540 1.00 0.00 C ATOM 478 O ASN A 88 17.956 -10.744 4.389 1.00 0.00 O ATOM 479 CB ASN A 88 18.029 -10.332 1.100 1.00 0.00 C ATOM 480 CG ASN A 88 19.267 -11.216 1.246 1.00 0.00 C ATOM 481 OD1 ASN A 88 19.157 -12.419 1.474 1.00 0.00 O ATOM 482 ND2 ASN A 88 20.464 -10.683 1.059 1.00 0.00 N ATOM 0 H ASN A 88 15.712 -9.462 0.996 1.00 0.00 H new ATOM 0 HA ASN A 88 16.875 -11.654 2.315 1.00 0.00 H new ATOM 0 HB2 ASN A 88 17.568 -10.517 0.130 1.00 0.00 H new ATOM 0 HB3 ASN A 88 18.332 -9.285 1.114 1.00 0.00 H new ATOM 0 HD21 ASN A 88 21.297 -11.271 1.104 1.00 0.00 H new ATOM 0 HD22 ASN A 88 20.554 -9.685 0.870 1.00 0.00 H new ATOM 489 N LYS A 89 17.296 -8.683 3.742 1.00 0.00 N ATOM 490 CA LYS A 89 17.559 -7.997 4.999 1.00 0.00 C ATOM 491 C LYS A 89 16.624 -8.556 6.069 1.00 0.00 C ATOM 492 O LYS A 89 17.069 -9.355 6.896 1.00 0.00 O ATOM 493 CB LYS A 89 17.429 -6.459 4.813 1.00 0.00 C ATOM 494 CG LYS A 89 18.691 -5.648 5.134 1.00 0.00 C ATOM 495 CD LYS A 89 18.932 -5.436 6.631 1.00 0.00 C ATOM 496 CE LYS A 89 19.517 -6.664 7.329 1.00 0.00 C ATOM 497 NZ LYS A 89 20.981 -6.790 7.134 1.00 0.00 N ATOM 0 H LYS A 89 16.961 -8.057 3.010 1.00 0.00 H new ATOM 0 HA LYS A 89 18.583 -8.175 5.329 1.00 0.00 H new ATOM 0 HB2 LYS A 89 17.141 -6.258 3.781 1.00 0.00 H new ATOM 0 HB3 LYS A 89 16.617 -6.101 5.446 1.00 0.00 H new ATOM 0 HG2 LYS A 89 19.555 -6.156 4.706 1.00 0.00 H new ATOM 0 HG3 LYS A 89 18.619 -4.676 4.647 1.00 0.00 H new ATOM 0 HD2 LYS A 89 19.609 -4.592 6.767 1.00 0.00 H new ATOM 0 HD3 LYS A 89 17.990 -5.169 7.109 1.00 0.00 H new ATOM 0 HE2 LYS A 89 19.300 -6.608 8.396 1.00 0.00 H new ATOM 0 HE3 LYS A 89 19.026 -7.560 6.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 21.325 -7.638 7.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 21.190 -6.871 6.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 21.456 -5.949 7.519 1.00 0.00 H new ATOM 511 N ALA A 90 15.351 -8.148 6.034 1.00 0.00 N ATOM 512 CA ALA A 90 14.331 -8.304 7.070 1.00 0.00 C ATOM 513 C ALA A 90 14.878 -8.098 8.499 1.00 0.00 C ATOM 514 O ALA A 90 15.945 -7.511 8.688 1.00 0.00 O ATOM 515 CB ALA A 90 13.590 -9.623 6.849 1.00 0.00 C ATOM 0 H ALA A 90 14.981 -7.663 5.216 1.00 0.00 H new ATOM 0 HA ALA A 90 13.600 -7.501 6.977 1.00 0.00 H new ATOM 0 HB1 ALA A 90 12.828 -9.745 7.618 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.116 -9.614 5.867 1.00 0.00 H new ATOM 0 HB3 ALA A 90 14.297 -10.451 6.903 1.00 0.00 H new ATOM 712 N LYS A 105 3.787 -7.701 -6.022 1.00 0.00 N ATOM 713 CA LYS A 105 3.897 -6.320 -6.460 1.00 0.00 C ATOM 714 C LYS A 105 4.363 -6.247 -7.902 1.00 0.00 C ATOM 715 O LYS A 105 5.087 -7.132 -8.368 1.00 0.00 O ATOM 716 CB LYS A 105 4.858 -5.549 -5.536 1.00 0.00 C ATOM 717 CG LYS A 105 6.348 -5.943 -5.690 1.00 0.00 C ATOM 718 CD LYS A 105 7.146 -5.101 -6.713 1.00 0.00 C ATOM 719 CE LYS A 105 8.001 -5.992 -7.627 1.00 0.00 C ATOM 720 NZ LYS A 105 8.654 -5.240 -8.724 1.00 0.00 N ATOM 0 HA LYS A 105 2.912 -5.857 -6.404 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.755 -4.482 -5.734 1.00 0.00 H new ATOM 0 HB3 LYS A 105 4.557 -5.712 -4.501 1.00 0.00 H new ATOM 0 HG2 LYS A 105 6.832 -5.859 -4.717 1.00 0.00 H new ATOM 0 HG3 LYS A 105 6.402 -6.991 -5.984 1.00 0.00 H new ATOM 0 HD2 LYS A 105 6.457 -4.512 -7.318 1.00 0.00 H new ATOM 0 HD3 LYS A 105 7.788 -4.397 -6.185 1.00 0.00 H new ATOM 0 HE2 LYS A 105 8.765 -6.488 -7.029 1.00 0.00 H new ATOM 0 HE3 LYS A 105 7.373 -6.774 -8.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 9.216 -5.893 -9.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 7.928 -4.787 -9.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 9.277 -4.511 -8.322 1.00 0.00 H new ATOM 734 N THR A 106 4.123 -5.103 -8.535 1.00 0.00 N ATOM 735 CA THR A 106 4.822 -4.715 -9.746 1.00 0.00 C ATOM 736 C THR A 106 5.201 -3.240 -9.771 1.00 0.00 C ATOM 737 O THR A 106 6.199 -2.915 -10.423 1.00 0.00 O ATOM 738 CB THR A 106 4.007 -5.216 -10.957 1.00 0.00 C ATOM 739 OG1 THR A 106 4.805 -5.317 -12.113 1.00 0.00 O ATOM 740 CG2 THR A 106 2.800 -4.338 -11.281 1.00 0.00 C ATOM 0 H THR A 106 3.435 -4.420 -8.218 1.00 0.00 H new ATOM 0 HA THR A 106 5.798 -5.198 -9.789 1.00 0.00 H new ATOM 0 HB THR A 106 3.645 -6.201 -10.662 1.00 0.00 H new ATOM 0 HG1 THR A 106 4.259 -5.638 -12.861 1.00 0.00 H new ATOM 0 HG21 THR A 106 2.273 -4.748 -12.142 1.00 0.00 H new ATOM 0 HG22 THR A 106 2.128 -4.312 -10.423 1.00 0.00 H new ATOM 0 HG23 THR A 106 3.137 -3.327 -11.509 1.00 0.00 H new ATOM 748 N SER A 107 4.553 -2.373 -8.992 1.00 0.00 N ATOM 749 CA SER A 107 4.875 -0.954 -8.994 1.00 0.00 C ATOM 750 C SER A 107 5.202 -0.465 -7.587 1.00 0.00 C ATOM 751 O SER A 107 4.683 -0.977 -6.595 1.00 0.00 O ATOM 752 CB SER A 107 3.715 -0.180 -9.629 1.00 0.00 C ATOM 753 OG SER A 107 3.510 -0.655 -10.948 1.00 0.00 O ATOM 0 H SER A 107 3.802 -2.633 -8.353 1.00 0.00 H new ATOM 0 HA SER A 107 5.770 -0.779 -9.591 1.00 0.00 H new ATOM 0 HB2 SER A 107 2.808 -0.308 -9.038 1.00 0.00 H new ATOM 0 HB3 SER A 107 3.938 0.887 -9.644 1.00 0.00 H new ATOM 0 HG SER A 107 2.768 -0.165 -11.360 1.00 0.00 H new ATOM 759 N GLY A 108 6.062 0.547 -7.504 1.00 0.00 N ATOM 760 CA GLY A 108 6.543 1.131 -6.263 1.00 0.00 C ATOM 761 C GLY A 108 5.454 1.823 -5.449 1.00 0.00 C ATOM 762 O GLY A 108 5.595 1.992 -4.240 1.00 0.00 O ATOM 0 H GLY A 108 6.455 0.996 -8.331 1.00 0.00 H new ATOM 0 HA2 GLY A 108 6.997 0.348 -5.655 1.00 0.00 H new ATOM 0 HA3 GLY A 108 7.328 1.852 -6.491 1.00 0.00 H new ATOM 766 N MET A 109 4.353 2.205 -6.091 1.00 0.00 N ATOM 767 CA MET A 109 3.159 2.651 -5.390 1.00 0.00 C ATOM 768 C MET A 109 2.553 1.563 -4.506 1.00 0.00 C ATOM 769 O MET A 109 1.985 1.896 -3.468 1.00 0.00 O ATOM 770 CB MET A 109 2.143 3.230 -6.387 1.00 0.00 C ATOM 771 CG MET A 109 1.890 2.282 -7.556 1.00 0.00 C ATOM 772 SD MET A 109 0.447 2.647 -8.578 1.00 0.00 S ATOM 773 CE MET A 109 0.718 4.409 -8.898 1.00 0.00 C ATOM 0 H MET A 109 4.266 2.213 -7.107 1.00 0.00 H new ATOM 0 HA MET A 109 3.453 3.447 -4.706 1.00 0.00 H new ATOM 0 HB2 MET A 109 1.203 3.431 -5.872 1.00 0.00 H new ATOM 0 HB3 MET A 109 2.509 4.184 -6.766 1.00 0.00 H new ATOM 0 HG2 MET A 109 2.772 2.283 -8.196 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.784 1.272 -7.161 1.00 0.00 H new ATOM 0 HE1 MET A 109 0.005 4.757 -9.646 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.580 4.972 -7.975 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.733 4.560 -9.266 1.00 0.00 H new ATOM 783 N GLU A 110 2.695 0.290 -4.874 1.00 0.00 N ATOM 784 CA GLU A 110 1.956 -0.788 -4.243 1.00 0.00 C ATOM 785 C GLU A 110 2.833 -1.540 -3.243 1.00 0.00 C ATOM 786 O GLU A 110 2.308 -2.155 -2.316 1.00 0.00 O ATOM 787 CB GLU A 110 1.411 -1.726 -5.329 1.00 0.00 C ATOM 788 CG GLU A 110 0.036 -2.318 -4.977 1.00 0.00 C ATOM 789 CD GLU A 110 -0.028 -3.835 -5.149 1.00 0.00 C ATOM 790 OE1 GLU A 110 0.299 -4.360 -6.244 1.00 0.00 O ATOM 791 OE2 GLU A 110 -0.416 -4.513 -4.170 1.00 0.00 O ATOM 0 H GLU A 110 3.325 -0.016 -5.616 1.00 0.00 H new ATOM 0 HA GLU A 110 1.119 -0.373 -3.682 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.335 -1.179 -6.269 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.120 -2.538 -5.489 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -0.208 -2.065 -3.945 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -0.724 -1.855 -5.607 1.00 0.00 H new ATOM 798 N VAL A 111 4.167 -1.481 -3.364 1.00 0.00 N ATOM 799 CA VAL A 111 5.044 -1.964 -2.331 1.00 0.00 C ATOM 800 C VAL A 111 4.898 -1.105 -1.072 1.00 0.00 C ATOM 801 O VAL A 111 4.968 -1.610 0.038 1.00 0.00 O ATOM 802 CB VAL A 111 6.478 -2.003 -2.858 1.00 0.00 C ATOM 803 CG1 VAL A 111 6.633 -2.832 -4.137 1.00 0.00 C ATOM 804 CG2 VAL A 111 7.240 -0.711 -2.936 1.00 0.00 C ATOM 0 H VAL A 111 4.647 -1.098 -4.178 1.00 0.00 H new ATOM 0 HA VAL A 111 4.772 -2.981 -2.050 1.00 0.00 H new ATOM 0 HB VAL A 111 6.976 -2.523 -2.040 1.00 0.00 H new ATOM 0 HG11 VAL A 111 7.675 -2.817 -4.456 1.00 0.00 H new ATOM 0 HG12 VAL A 111 6.327 -3.860 -3.943 1.00 0.00 H new ATOM 0 HG13 VAL A 111 6.007 -2.409 -4.923 1.00 0.00 H new ATOM 0 HG21 VAL A 111 8.239 -0.901 -3.328 1.00 0.00 H new ATOM 0 HG22 VAL A 111 6.717 -0.019 -3.596 1.00 0.00 H new ATOM 0 HG23 VAL A 111 7.318 -0.274 -1.941 1.00 0.00 H new ATOM 814 N ALA A 112 4.678 0.194 -1.242 1.00 0.00 N ATOM 815 CA ALA A 112 4.530 1.130 -0.135 1.00 0.00 C ATOM 816 C ALA A 112 3.397 0.738 0.822 1.00 0.00 C ATOM 817 O ALA A 112 3.605 0.679 2.040 1.00 0.00 O ATOM 818 CB ALA A 112 4.359 2.554 -0.674 1.00 0.00 C ATOM 0 H ALA A 112 4.597 0.630 -2.160 1.00 0.00 H new ATOM 0 HA ALA A 112 5.443 1.092 0.460 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.249 3.248 0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.235 2.828 -1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 112 3.471 2.600 -1.304 1.00 0.00 H new ATOM 824 N SER A 113 2.213 0.439 0.287 1.00 0.00 N ATOM 825 CA SER A 113 1.096 -0.090 1.063 1.00 0.00 C ATOM 826 C SER A 113 1.431 -1.467 1.645 1.00 0.00 C ATOM 827 O SER A 113 1.035 -1.768 2.773 1.00 0.00 O ATOM 828 CB SER A 113 -0.156 -0.150 0.169 1.00 0.00 C ATOM 829 OG SER A 113 0.178 -0.318 -1.199 1.00 0.00 O ATOM 0 H SER A 113 2.003 0.559 -0.704 1.00 0.00 H new ATOM 0 HA SER A 113 0.899 0.572 1.906 1.00 0.00 H new ATOM 0 HB2 SER A 113 -0.793 -0.974 0.491 1.00 0.00 H new ATOM 0 HB3 SER A 113 -0.734 0.766 0.292 1.00 0.00 H new ATOM 0 HG SER A 113 0.870 -1.006 -1.285 1.00 0.00 H new ATOM 835 N TYR A 114 2.188 -2.284 0.908 1.00 0.00 N ATOM 836 CA TYR A 114 2.558 -3.638 1.322 1.00 0.00 C ATOM 837 C TYR A 114 3.452 -3.558 2.552 1.00 0.00 C ATOM 838 O TYR A 114 3.266 -4.278 3.523 1.00 0.00 O ATOM 839 CB TYR A 114 3.209 -4.395 0.144 1.00 0.00 C ATOM 840 CG TYR A 114 4.434 -5.255 0.417 1.00 0.00 C ATOM 841 CD1 TYR A 114 4.254 -6.575 0.871 1.00 0.00 C ATOM 842 CD2 TYR A 114 5.739 -4.776 0.158 1.00 0.00 C ATOM 843 CE1 TYR A 114 5.360 -7.422 1.057 1.00 0.00 C ATOM 844 CE2 TYR A 114 6.846 -5.623 0.342 1.00 0.00 C ATOM 845 CZ TYR A 114 6.664 -6.948 0.798 1.00 0.00 C ATOM 846 OH TYR A 114 7.743 -7.761 0.976 1.00 0.00 O ATOM 0 H TYR A 114 2.565 -2.020 -0.002 1.00 0.00 H new ATOM 0 HA TYR A 114 1.672 -4.209 1.601 1.00 0.00 H new ATOM 0 HB2 TYR A 114 2.447 -5.036 -0.299 1.00 0.00 H new ATOM 0 HB3 TYR A 114 3.484 -3.658 -0.611 1.00 0.00 H new ATOM 0 HD1 TYR A 114 3.259 -6.940 1.078 1.00 0.00 H new ATOM 0 HD2 TYR A 114 5.885 -3.761 -0.181 1.00 0.00 H new ATOM 0 HE1 TYR A 114 5.212 -8.436 1.398 1.00 0.00 H new ATOM 0 HE2 TYR A 114 7.841 -5.259 0.134 1.00 0.00 H new ATOM 0 HH TYR A 114 8.562 -7.272 0.750 1.00 0.00 H new ATOM 856 N LEU A 115 4.423 -2.657 2.553 1.00 0.00 N ATOM 857 CA LEU A 115 5.429 -2.551 3.589 1.00 0.00 C ATOM 858 C LEU A 115 4.841 -2.073 4.910 1.00 0.00 C ATOM 859 O LEU A 115 5.253 -2.575 5.959 1.00 0.00 O ATOM 860 CB LEU A 115 6.512 -1.596 3.097 1.00 0.00 C ATOM 861 CG LEU A 115 7.548 -2.274 2.211 1.00 0.00 C ATOM 862 CD1 LEU A 115 8.416 -1.194 1.580 1.00 0.00 C ATOM 863 CD2 LEU A 115 8.414 -3.258 3.008 1.00 0.00 C ATOM 0 H LEU A 115 4.532 -1.964 1.813 1.00 0.00 H new ATOM 0 HA LEU A 115 5.851 -3.537 3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.046 -0.782 2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 115 7.013 -1.151 3.956 1.00 0.00 H new ATOM 0 HG LEU A 115 7.038 -2.851 1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 115 9.166 -1.658 0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.792 -0.528 0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.912 -0.621 2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.142 -3.723 2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 115 8.937 -2.723 3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.780 -4.028 3.447 1.00 0.00 H new ATOM 875 N VAL A 116 3.892 -1.134 4.883 1.00 0.00 N ATOM 876 CA VAL A 116 3.198 -0.729 6.108 1.00 0.00 C ATOM 877 C VAL A 116 2.362 -1.907 6.644 1.00 0.00 C ATOM 878 O VAL A 116 2.226 -2.041 7.861 1.00 0.00 O ATOM 879 CB VAL A 116 2.428 0.609 5.931 1.00 0.00 C ATOM 880 CG1 VAL A 116 1.701 1.026 7.221 1.00 0.00 C ATOM 881 CG2 VAL A 116 3.433 1.722 5.583 1.00 0.00 C ATOM 0 H VAL A 116 3.590 -0.646 4.040 1.00 0.00 H new ATOM 0 HA VAL A 116 3.926 -0.497 6.885 1.00 0.00 H new ATOM 0 HB VAL A 116 1.692 0.464 5.140 1.00 0.00 H new ATOM 0 HG11 VAL A 116 1.175 1.966 7.055 1.00 0.00 H new ATOM 0 HG12 VAL A 116 0.984 0.254 7.501 1.00 0.00 H new ATOM 0 HG13 VAL A 116 2.428 1.154 8.023 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.902 2.665 5.457 1.00 0.00 H new ATOM 0 HG22 VAL A 116 4.161 1.820 6.389 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.949 1.470 4.657 1.00 0.00 H new ATOM 891 N ALA A 117 1.887 -2.826 5.793 1.00 0.00 N ATOM 892 CA ALA A 117 1.281 -4.070 6.257 1.00 0.00 C ATOM 893 C ALA A 117 2.345 -4.996 6.871 1.00 0.00 C ATOM 894 O ALA A 117 2.167 -5.497 7.981 1.00 0.00 O ATOM 895 CB ALA A 117 0.488 -4.738 5.131 1.00 0.00 C ATOM 0 H ALA A 117 1.913 -2.726 4.778 1.00 0.00 H new ATOM 0 HA ALA A 117 0.568 -3.845 7.050 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.044 -5.664 5.498 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.301 -4.066 4.794 1.00 0.00 H new ATOM 0 HB3 ALA A 117 1.155 -4.961 4.298 1.00 0.00 H new ATOM 901 N GLN A 118 3.473 -5.200 6.182 1.00 0.00 N ATOM 902 CA GLN A 118 4.543 -6.097 6.613 1.00 0.00 C ATOM 903 C GLN A 118 5.136 -5.697 7.969 1.00 0.00 C ATOM 904 O GLN A 118 5.447 -6.582 8.772 1.00 0.00 O ATOM 905 CB GLN A 118 5.675 -6.112 5.576 1.00 0.00 C ATOM 906 CG GLN A 118 5.345 -6.755 4.230 1.00 0.00 C ATOM 907 CD GLN A 118 5.264 -8.272 4.317 1.00 0.00 C ATOM 908 OE1 GLN A 118 6.276 -8.972 4.382 1.00 0.00 O ATOM 909 NE2 GLN A 118 4.071 -8.829 4.305 1.00 0.00 N ATOM 0 H GLN A 118 3.668 -4.737 5.294 1.00 0.00 H new ATOM 0 HA GLN A 118 4.095 -7.086 6.711 1.00 0.00 H new ATOM 0 HB2 GLN A 118 5.990 -5.084 5.397 1.00 0.00 H new ATOM 0 HB3 GLN A 118 6.528 -6.636 6.007 1.00 0.00 H new ATOM 0 HG2 GLN A 118 4.395 -6.363 3.866 1.00 0.00 H new ATOM 0 HG3 GLN A 118 6.105 -6.476 3.501 1.00 0.00 H new ATOM 0 HE21 GLN A 118 3.236 -8.245 4.251 1.00 0.00 H new ATOM 0 HE22 GLN A 118 3.982 -9.844 4.350 1.00 0.00 H new ATOM 918 N TYR A 119 5.379 -4.402 8.213 1.00 0.00 N ATOM 919 CA TYR A 119 6.105 -3.955 9.406 1.00 0.00 C ATOM 920 C TYR A 119 5.551 -2.713 10.111 1.00 0.00 C ATOM 921 O TYR A 119 6.074 -2.371 11.172 1.00 0.00 O ATOM 922 CB TYR A 119 7.563 -3.632 9.071 1.00 0.00 C ATOM 923 CG TYR A 119 8.347 -4.610 8.230 1.00 0.00 C ATOM 924 CD1 TYR A 119 8.277 -4.531 6.831 1.00 0.00 C ATOM 925 CD2 TYR A 119 9.192 -5.547 8.849 1.00 0.00 C ATOM 926 CE1 TYR A 119 8.990 -5.443 6.041 1.00 0.00 C ATOM 927 CE2 TYR A 119 9.895 -6.479 8.061 1.00 0.00 C ATOM 928 CZ TYR A 119 9.795 -6.432 6.651 1.00 0.00 C ATOM 929 OH TYR A 119 10.469 -7.334 5.881 1.00 0.00 O ATOM 0 H TYR A 119 5.082 -3.645 7.597 1.00 0.00 H new ATOM 0 HA TYR A 119 5.992 -4.802 10.082 1.00 0.00 H new ATOM 0 HB2 TYR A 119 7.579 -2.669 8.560 1.00 0.00 H new ATOM 0 HB3 TYR A 119 8.098 -3.502 10.012 1.00 0.00 H new ATOM 0 HD1 TYR A 119 7.674 -3.767 6.363 1.00 0.00 H new ATOM 0 HD2 TYR A 119 9.302 -5.552 9.923 1.00 0.00 H new ATOM 0 HE1 TYR A 119 8.924 -5.390 4.964 1.00 0.00 H new ATOM 0 HE2 TYR A 119 10.511 -7.230 8.534 1.00 0.00 H new ATOM 0 HH TYR A 119 10.975 -7.943 6.458 1.00 0.00 H new ATOM 939 N GLY A 120 4.571 -2.000 9.563 1.00 0.00 N ATOM 940 CA GLY A 120 4.247 -0.656 10.011 1.00 0.00 C ATOM 941 C GLY A 120 5.270 0.356 9.483 1.00 0.00 C ATOM 942 O GLY A 120 6.383 0.014 9.066 1.00 0.00 O ATOM 0 H GLY A 120 3.984 -2.338 8.800 1.00 0.00 H new ATOM 0 HA2 GLY A 120 3.249 -0.384 9.667 1.00 0.00 H new ATOM 0 HA3 GLY A 120 4.228 -0.626 11.100 1.00 0.00 H new ATOM 946 N GLU A 121 4.866 1.623 9.494 1.00 0.00 N ATOM 947 CA GLU A 121 5.529 2.733 8.807 1.00 0.00 C ATOM 948 C GLU A 121 6.969 2.991 9.261 1.00 0.00 C ATOM 949 O GLU A 121 7.745 3.517 8.463 1.00 0.00 O ATOM 950 CB GLU A 121 4.675 4.017 8.824 1.00 0.00 C ATOM 951 CG GLU A 121 4.041 4.336 10.181 1.00 0.00 C ATOM 952 CD GLU A 121 3.349 5.710 10.259 1.00 0.00 C ATOM 953 OE1 GLU A 121 3.957 6.763 9.970 1.00 0.00 O ATOM 954 OE2 GLU A 121 2.150 5.736 10.643 1.00 0.00 O ATOM 0 H GLU A 121 4.033 1.919 10.003 1.00 0.00 H new ATOM 0 HA GLU A 121 5.618 2.409 7.770 1.00 0.00 H new ATOM 0 HB2 GLU A 121 5.299 4.858 8.521 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.884 3.923 8.080 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.310 3.562 10.417 1.00 0.00 H new ATOM 0 HG3 GLU A 121 4.814 4.289 10.948 1.00 0.00 H new ATOM 961 N GLN A 122 7.363 2.584 10.474 1.00 0.00 N ATOM 962 CA GLN A 122 8.737 2.615 10.949 1.00 0.00 C ATOM 963 C GLN A 122 9.622 1.800 10.021 1.00 0.00 C ATOM 964 O GLN A 122 10.381 2.350 9.219 1.00 0.00 O ATOM 965 CB GLN A 122 8.825 2.113 12.397 1.00 0.00 C ATOM 966 CG GLN A 122 8.102 3.022 13.394 1.00 0.00 C ATOM 967 CD GLN A 122 6.658 2.627 13.678 1.00 0.00 C ATOM 968 OE1 GLN A 122 6.112 1.707 13.065 1.00 0.00 O ATOM 969 NE2 GLN A 122 6.032 3.255 14.647 1.00 0.00 N ATOM 0 H GLN A 122 6.710 2.215 11.166 1.00 0.00 H new ATOM 0 HA GLN A 122 9.092 3.645 10.942 1.00 0.00 H new ATOM 0 HB2 GLN A 122 8.400 1.111 12.454 1.00 0.00 H new ATOM 0 HB3 GLN A 122 9.873 2.031 12.684 1.00 0.00 H new ATOM 0 HG2 GLN A 122 8.656 3.024 14.333 1.00 0.00 H new ATOM 0 HG3 GLN A 122 8.118 4.043 13.013 1.00 0.00 H new ATOM 0 HE21 GLN A 122 6.496 4.014 15.146 1.00 0.00 H new ATOM 0 HE22 GLN A 122 5.082 2.983 14.901 1.00 0.00 H new ATOM 978 N ARG A 123 9.522 0.478 10.145 1.00 0.00 N ATOM 979 CA ARG A 123 10.388 -0.460 9.444 1.00 0.00 C ATOM 980 C ARG A 123 10.144 -0.430 7.952 1.00 0.00 C ATOM 981 O ARG A 123 11.074 -0.699 7.194 1.00 0.00 O ATOM 982 CB ARG A 123 10.171 -1.881 9.982 1.00 0.00 C ATOM 983 CG ARG A 123 11.314 -2.320 10.882 1.00 0.00 C ATOM 984 CD ARG A 123 11.275 -1.558 12.199 1.00 0.00 C ATOM 985 NE ARG A 123 12.625 -1.403 12.769 1.00 0.00 N ATOM 986 CZ ARG A 123 12.901 -1.047 14.030 1.00 0.00 C ATOM 987 NH1 ARG A 123 11.964 -1.079 14.972 1.00 0.00 N ATOM 988 NH2 ARG A 123 14.131 -0.683 14.359 1.00 0.00 N ATOM 0 H ARG A 123 8.829 0.026 10.742 1.00 0.00 H new ATOM 0 HA ARG A 123 11.420 -0.159 9.622 1.00 0.00 H new ATOM 0 HB2 ARG A 123 9.234 -1.921 10.537 1.00 0.00 H new ATOM 0 HB3 ARG A 123 10.077 -2.576 9.148 1.00 0.00 H new ATOM 0 HG2 ARG A 123 11.245 -3.391 11.072 1.00 0.00 H new ATOM 0 HG3 ARG A 123 12.267 -2.146 10.382 1.00 0.00 H new ATOM 0 HD2 ARG A 123 10.830 -0.576 12.040 1.00 0.00 H new ATOM 0 HD3 ARG A 123 10.637 -2.086 12.908 1.00 0.00 H new ATOM 0 HE ARG A 123 13.416 -1.582 12.151 1.00 0.00 H new ATOM 0 HH11 ARG A 123 11.017 -1.378 14.739 1.00 0.00 H new ATOM 0 HH12 ARG A 123 12.192 -0.804 15.928 1.00 0.00 H new ATOM 0 HH21 ARG A 123 14.866 -0.674 13.652 1.00 0.00 H new ATOM 0 HH22 ARG A 123 14.343 -0.412 15.319 1.00 0.00 H new ATOM 1002 N ALA A 124 8.926 -0.089 7.537 1.00 0.00 N ATOM 1003 CA ALA A 124 8.590 0.036 6.138 1.00 0.00 C ATOM 1004 C ALA A 124 9.489 1.022 5.407 1.00 0.00 C ATOM 1005 O ALA A 124 9.689 0.855 4.206 1.00 0.00 O ATOM 1006 CB ALA A 124 7.131 0.476 6.030 1.00 0.00 C ATOM 0 H ALA A 124 8.150 0.107 8.169 1.00 0.00 H new ATOM 0 HA ALA A 124 8.740 -0.933 5.662 1.00 0.00 H new ATOM 0 HB1 ALA A 124 6.858 0.576 4.980 1.00 0.00 H new ATOM 0 HB2 ALA A 124 6.490 -0.269 6.502 1.00 0.00 H new ATOM 0 HB3 ALA A 124 7.002 1.435 6.531 1.00 0.00 H new ATOM 1012 N TRP A 125 10.078 1.986 6.119 1.00 0.00 N ATOM 1013 CA TRP A 125 11.000 2.927 5.519 1.00 0.00 C ATOM 1014 C TRP A 125 12.403 2.775 6.104 1.00 0.00 C ATOM 1015 O TRP A 125 13.358 2.725 5.348 1.00 0.00 O ATOM 1016 CB TRP A 125 10.410 4.332 5.595 1.00 0.00 C ATOM 1017 CG TRP A 125 10.864 5.277 4.535 1.00 0.00 C ATOM 1018 CD1 TRP A 125 11.258 6.541 4.774 1.00 0.00 C ATOM 1019 CD2 TRP A 125 10.932 5.098 3.087 1.00 0.00 C ATOM 1020 NE1 TRP A 125 11.592 7.156 3.586 1.00 0.00 N ATOM 1021 CE2 TRP A 125 11.442 6.301 2.512 1.00 0.00 C ATOM 1022 CE3 TRP A 125 10.576 4.063 2.193 1.00 0.00 C ATOM 1023 CZ2 TRP A 125 11.600 6.456 1.123 1.00 0.00 C ATOM 1024 CZ3 TRP A 125 10.718 4.215 0.803 1.00 0.00 C ATOM 1025 CH2 TRP A 125 11.221 5.407 0.268 1.00 0.00 C ATOM 0 H TRP A 125 9.925 2.128 7.117 1.00 0.00 H new ATOM 0 HA TRP A 125 11.132 2.713 4.458 1.00 0.00 H new ATOM 0 HB2 TRP A 125 9.324 4.254 5.547 1.00 0.00 H new ATOM 0 HB3 TRP A 125 10.656 4.759 6.567 1.00 0.00 H new ATOM 0 HD1 TRP A 125 11.305 7.004 5.749 1.00 0.00 H new ATOM 0 HE1 TRP A 125 11.910 8.122 3.510 1.00 0.00 H new ATOM 0 HE3 TRP A 125 10.187 3.136 2.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 12.008 7.370 0.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 10.437 3.407 0.143 1.00 0.00 H new ATOM 0 HH2 TRP A 125 11.318 5.520 -0.802 1.00 0.00 H new ATOM 1036 N ASP A 126 12.576 2.605 7.414 1.00 0.00 N ATOM 1037 CA ASP A 126 13.894 2.383 8.035 1.00 0.00 C ATOM 1038 C ASP A 126 14.696 1.287 7.323 1.00 0.00 C ATOM 1039 O ASP A 126 15.894 1.445 7.084 1.00 0.00 O ATOM 1040 CB ASP A 126 13.724 1.997 9.512 1.00 0.00 C ATOM 1041 CG ASP A 126 15.058 1.704 10.213 1.00 0.00 C ATOM 1042 OD1 ASP A 126 15.524 0.534 10.170 1.00 0.00 O ATOM 1043 OD2 ASP A 126 15.586 2.586 10.923 1.00 0.00 O ATOM 0 H ASP A 126 11.806 2.616 8.083 1.00 0.00 H new ATOM 0 HA ASP A 126 14.447 3.318 7.948 1.00 0.00 H new ATOM 0 HB2 ASP A 126 13.214 2.805 10.037 1.00 0.00 H new ATOM 0 HB3 ASP A 126 13.083 1.118 9.581 1.00 0.00 H new ATOM 1048 N LEU A 127 14.046 0.172 6.957 1.00 0.00 N ATOM 1049 CA LEU A 127 14.737 -0.925 6.286 1.00 0.00 C ATOM 1050 C LEU A 127 14.956 -0.607 4.801 1.00 0.00 C ATOM 1051 O LEU A 127 16.008 -0.895 4.230 1.00 0.00 O ATOM 1052 CB LEU A 127 13.962 -2.213 6.602 1.00 0.00 C ATOM 1053 CG LEU A 127 13.406 -3.088 5.472 1.00 0.00 C ATOM 1054 CD1 LEU A 127 14.543 -3.801 4.731 1.00 0.00 C ATOM 1055 CD2 LEU A 127 12.434 -4.103 6.106 1.00 0.00 C ATOM 0 H LEU A 127 13.051 0.012 7.115 1.00 0.00 H new ATOM 0 HA LEU A 127 15.753 -1.071 6.654 1.00 0.00 H new ATOM 0 HB2 LEU A 127 14.618 -2.843 7.203 1.00 0.00 H new ATOM 0 HB3 LEU A 127 13.120 -1.934 7.236 1.00 0.00 H new ATOM 0 HG LEU A 127 12.882 -2.477 4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 127 14.128 -4.417 3.933 1.00 0.00 H new ATOM 0 HD12 LEU A 127 15.219 -3.061 4.303 1.00 0.00 H new ATOM 0 HD13 LEU A 127 15.092 -4.433 5.429 1.00 0.00 H new ATOM 0 HD21 LEU A 127 12.019 -4.744 5.328 1.00 0.00 H new ATOM 0 HD22 LEU A 127 12.969 -4.715 6.832 1.00 0.00 H new ATOM 0 HD23 LEU A 127 11.626 -3.569 6.606 1.00 0.00 H new ATOM 1067 N ALA A 128 13.973 0.056 4.204 1.00 0.00 N ATOM 1068 CA ALA A 128 13.991 0.606 2.850 1.00 0.00 C ATOM 1069 C ALA A 128 15.207 1.510 2.619 1.00 0.00 C ATOM 1070 O ALA A 128 16.018 1.265 1.737 1.00 0.00 O ATOM 1071 CB ALA A 128 12.711 1.411 2.613 1.00 0.00 C ATOM 0 H ALA A 128 13.088 0.236 4.679 1.00 0.00 H new ATOM 0 HA ALA A 128 14.053 -0.227 2.150 1.00 0.00 H new ATOM 0 HB1 ALA A 128 12.722 1.823 1.604 1.00 0.00 H new ATOM 0 HB2 ALA A 128 11.845 0.760 2.730 1.00 0.00 H new ATOM 0 HB3 ALA A 128 12.654 2.225 3.336 1.00 0.00 H new ATOM 1077 N LEU A 129 15.346 2.563 3.416 1.00 0.00 N ATOM 1078 CA LEU A 129 16.370 3.594 3.305 1.00 0.00 C ATOM 1079 C LEU A 129 17.758 2.955 3.339 1.00 0.00 C ATOM 1080 O LEU A 129 18.614 3.267 2.509 1.00 0.00 O ATOM 1081 CB LEU A 129 16.164 4.594 4.455 1.00 0.00 C ATOM 1082 CG LEU A 129 14.993 5.568 4.191 1.00 0.00 C ATOM 1083 CD1 LEU A 129 14.269 5.867 5.497 1.00 0.00 C ATOM 1084 CD2 LEU A 129 15.449 6.884 3.558 1.00 0.00 C ATOM 0 H LEU A 129 14.713 2.729 4.199 1.00 0.00 H new ATOM 0 HA LEU A 129 16.290 4.126 2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 129 15.976 4.047 5.379 1.00 0.00 H new ATOM 0 HB3 LEU A 129 17.080 5.165 4.604 1.00 0.00 H new ATOM 0 HG LEU A 129 14.325 5.077 3.483 1.00 0.00 H new ATOM 0 HD11 LEU A 129 13.444 6.554 5.307 1.00 0.00 H new ATOM 0 HD12 LEU A 129 13.879 4.940 5.918 1.00 0.00 H new ATOM 0 HD13 LEU A 129 14.964 6.322 6.203 1.00 0.00 H new ATOM 0 HD21 LEU A 129 14.585 7.528 3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 129 16.154 7.383 4.223 1.00 0.00 H new ATOM 0 HD23 LEU A 129 15.934 6.680 2.603 1.00 0.00 H new ATOM 1096 N HIS A 130 17.959 2.003 4.252 1.00 0.00 N ATOM 1097 CA HIS A 130 19.175 1.210 4.322 1.00 0.00 C ATOM 1098 C HIS A 130 19.376 0.389 3.044 1.00 0.00 C ATOM 1099 O HIS A 130 20.511 0.297 2.586 1.00 0.00 O ATOM 1100 CB HIS A 130 19.099 0.335 5.580 1.00 0.00 C ATOM 1101 CG HIS A 130 20.086 -0.802 5.633 1.00 0.00 C ATOM 1102 ND1 HIS A 130 20.033 -1.920 4.850 1.00 0.00 N flip ATOM 1103 CD2 HIS A 130 21.131 -0.951 6.518 1.00 0.00 C flip ATOM 1104 CE1 HIS A 130 21.060 -2.773 5.276 1.00 0.00 C flip ATOM 1105 NE2 HIS A 130 21.691 -2.151 6.291 1.00 0.00 N flip ATOM 0 H HIS A 130 17.273 1.763 4.967 1.00 0.00 H new ATOM 0 HA HIS A 130 20.048 1.858 4.394 1.00 0.00 H new ATOM 0 HB2 HIS A 130 19.252 0.969 6.453 1.00 0.00 H new ATOM 0 HB3 HIS A 130 18.092 -0.075 5.657 1.00 0.00 H new ATOM 0 HD2 HIS A 130 21.444 -0.232 7.261 1.00 0.00 H new ATOM 0 HE1 HIS A 130 21.300 -3.744 4.868 1.00 0.00 H new ATOM 0 HE2 HIS A 130 22.479 -2.535 6.812 1.00 0.00 H new ATOM 1113 N THR A 131 18.333 -0.221 2.467 1.00 0.00 N ATOM 1114 CA THR A 131 18.410 -1.068 1.264 1.00 0.00 C ATOM 1115 C THR A 131 19.023 -0.294 0.074 1.00 0.00 C ATOM 1116 O THR A 131 19.632 -0.889 -0.810 1.00 0.00 O ATOM 1117 CB THR A 131 17.006 -1.655 0.967 1.00 0.00 C ATOM 1118 OG1 THR A 131 16.559 -2.412 2.080 1.00 0.00 O ATOM 1119 CG2 THR A 131 16.919 -2.589 -0.242 1.00 0.00 C ATOM 0 H THR A 131 17.384 -0.138 2.832 1.00 0.00 H new ATOM 0 HA THR A 131 19.085 -1.906 1.438 1.00 0.00 H new ATOM 0 HB THR A 131 16.395 -0.778 0.754 1.00 0.00 H new ATOM 0 HG1 THR A 131 16.152 -1.813 2.741 1.00 0.00 H new ATOM 0 HG21 THR A 131 15.894 -2.941 -0.357 1.00 0.00 H new ATOM 0 HG22 THR A 131 17.221 -2.050 -1.140 1.00 0.00 H new ATOM 0 HG23 THR A 131 17.581 -3.442 -0.091 1.00 0.00 H new ATOM 1127 N TRP A 132 18.974 1.040 0.079 1.00 0.00 N ATOM 1128 CA TRP A 132 19.608 1.854 -0.965 1.00 0.00 C ATOM 1129 C TRP A 132 21.133 1.938 -0.813 1.00 0.00 C ATOM 1130 O TRP A 132 21.809 2.338 -1.766 1.00 0.00 O ATOM 1131 CB TRP A 132 18.997 3.265 -1.028 1.00 0.00 C ATOM 1132 CG TRP A 132 17.732 3.424 -1.822 1.00 0.00 C ATOM 1133 CD1 TRP A 132 17.469 2.857 -3.023 1.00 0.00 C ATOM 1134 CD2 TRP A 132 16.565 4.244 -1.509 1.00 0.00 C ATOM 1135 NE1 TRP A 132 16.243 3.289 -3.483 1.00 0.00 N ATOM 1136 CE2 TRP A 132 15.627 4.126 -2.577 1.00 0.00 C ATOM 1137 CE3 TRP A 132 16.206 5.076 -0.428 1.00 0.00 C ATOM 1138 CZ2 TRP A 132 14.401 4.806 -2.580 1.00 0.00 C ATOM 1139 CZ3 TRP A 132 14.980 5.768 -0.417 1.00 0.00 C ATOM 1140 CH2 TRP A 132 14.088 5.644 -1.497 1.00 0.00 C ATOM 0 H TRP A 132 18.499 1.584 0.799 1.00 0.00 H new ATOM 0 HA TRP A 132 19.407 1.343 -1.907 1.00 0.00 H new ATOM 0 HB2 TRP A 132 18.801 3.595 -0.008 1.00 0.00 H new ATOM 0 HB3 TRP A 132 19.745 3.940 -1.443 1.00 0.00 H new ATOM 0 HD1 TRP A 132 18.121 2.170 -3.542 1.00 0.00 H new ATOM 0 HE1 TRP A 132 15.842 3.022 -4.382 1.00 0.00 H new ATOM 0 HE3 TRP A 132 16.884 5.184 0.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 13.709 4.688 -3.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 14.724 6.396 0.423 1.00 0.00 H new ATOM 0 HH2 TRP A 132 13.159 6.195 -1.494 1.00 0.00 H new ATOM 1151 N GLU A 133 21.707 1.557 0.333 1.00 0.00 N ATOM 1152 CA GLU A 133 23.158 1.535 0.523 1.00 0.00 C ATOM 1153 C GLU A 133 23.812 0.379 -0.262 1.00 0.00 C ATOM 1154 O GLU A 133 24.992 0.470 -0.612 1.00 0.00 O ATOM 1155 CB GLU A 133 23.516 1.516 2.022 1.00 0.00 C ATOM 1156 CG GLU A 133 24.929 2.098 2.245 1.00 0.00 C ATOM 1157 CD GLU A 133 25.575 1.620 3.544 1.00 0.00 C ATOM 1158 OE1 GLU A 133 25.320 2.217 4.618 1.00 0.00 O ATOM 1159 OE2 GLU A 133 26.336 0.620 3.512 1.00 0.00 O ATOM 0 H GLU A 133 21.179 1.256 1.152 1.00 0.00 H new ATOM 0 HA GLU A 133 23.571 2.456 0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 133 22.784 2.095 2.585 1.00 0.00 H new ATOM 0 HB3 GLU A 133 23.473 0.495 2.400 1.00 0.00 H new ATOM 0 HG2 GLU A 133 25.566 1.821 1.406 1.00 0.00 H new ATOM 0 HG3 GLU A 133 24.870 3.186 2.254 1.00 0.00 H new ATOM 1166 N GLN A 134 23.053 -0.677 -0.594 1.00 0.00 N ATOM 1167 CA GLN A 134 23.484 -1.687 -1.559 1.00 0.00 C ATOM 1168 C GLN A 134 23.618 -1.037 -2.942 1.00 0.00 C ATOM 1169 O GLN A 134 24.678 -1.074 -3.566 1.00 0.00 O ATOM 1170 CB GLN A 134 22.483 -2.859 -1.614 1.00 0.00 C ATOM 1171 CG GLN A 134 22.629 -3.852 -0.448 1.00 0.00 C ATOM 1172 CD GLN A 134 23.529 -5.036 -0.786 1.00 0.00 C ATOM 1173 OE1 GLN A 134 23.208 -5.859 -1.635 1.00 0.00 O ATOM 1174 NE2 GLN A 134 24.654 -5.175 -0.108 1.00 0.00 N ATOM 0 H GLN A 134 22.128 -0.850 -0.200 1.00 0.00 H new ATOM 0 HA GLN A 134 24.449 -2.087 -1.247 1.00 0.00 H new ATOM 0 HB2 GLN A 134 21.469 -2.459 -1.614 1.00 0.00 H new ATOM 0 HB3 GLN A 134 22.615 -3.394 -2.554 1.00 0.00 H new ATOM 0 HG2 GLN A 134 23.034 -3.330 0.419 1.00 0.00 H new ATOM 0 HG3 GLN A 134 21.643 -4.221 -0.166 1.00 0.00 H new ATOM 0 HE21 GLN A 134 24.913 -4.485 0.597 1.00 0.00 H new ATOM 0 HE22 GLN A 134 25.264 -5.972 -0.289 1.00 0.00 H new ATOM 1183 N MET A 135 22.514 -0.462 -3.420 1.00 0.00 N ATOM 1184 CA MET A 135 22.317 -0.127 -4.827 1.00 0.00 C ATOM 1185 C MET A 135 22.986 1.186 -5.258 1.00 0.00 C ATOM 1186 O MET A 135 23.134 1.385 -6.462 1.00 0.00 O ATOM 1187 CB MET A 135 20.811 -0.021 -5.081 1.00 0.00 C ATOM 1188 CG MET A 135 20.024 -1.325 -4.942 1.00 0.00 C ATOM 1189 SD MET A 135 18.365 -1.030 -4.292 1.00 0.00 S ATOM 1190 CE MET A 135 17.738 0.005 -5.641 1.00 0.00 C ATOM 0 H MET A 135 21.720 -0.213 -2.830 1.00 0.00 H new ATOM 0 HA MET A 135 22.786 -0.916 -5.414 1.00 0.00 H new ATOM 0 HB2 MET A 135 20.394 0.710 -4.388 1.00 0.00 H new ATOM 0 HB3 MET A 135 20.657 0.370 -6.087 1.00 0.00 H new ATOM 0 HG2 MET A 135 19.954 -1.814 -5.914 1.00 0.00 H new ATOM 0 HG3 MET A 135 20.560 -2.006 -4.280 1.00 0.00 H new ATOM 0 HE1 MET A 135 16.683 -0.212 -5.806 1.00 0.00 H new ATOM 0 HE2 MET A 135 17.856 1.056 -5.378 1.00 0.00 H new ATOM 0 HE3 MET A 135 18.298 -0.206 -6.552 1.00 0.00 H new ATOM 1200 N GLY A 136 23.365 2.079 -4.335 1.00 0.00 N ATOM 1201 CA GLY A 136 24.108 3.301 -4.661 1.00 0.00 C ATOM 1202 C GLY A 136 23.268 4.579 -4.660 1.00 0.00 C ATOM 1203 O GLY A 136 23.699 5.611 -5.182 1.00 0.00 O ATOM 0 H GLY A 136 23.165 1.974 -3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 136 24.922 3.417 -3.945 1.00 0.00 H new ATOM 0 HA3 GLY A 136 24.563 3.182 -5.644 1.00 0.00 H new ATOM 1207 N LEU A 137 22.046 4.539 -4.124 1.00 0.00 N ATOM 1208 CA LEU A 137 21.068 5.610 -4.290 1.00 0.00 C ATOM 1209 C LEU A 137 21.067 6.537 -3.084 1.00 0.00 C ATOM 1210 O LEU A 137 20.060 6.683 -2.384 1.00 0.00 O ATOM 1211 CB LEU A 137 19.684 5.031 -4.622 1.00 0.00 C ATOM 1212 CG LEU A 137 19.476 4.462 -6.039 1.00 0.00 C ATOM 1213 CD1 LEU A 137 19.952 5.401 -7.148 1.00 0.00 C ATOM 1214 CD2 LEU A 137 20.163 3.113 -6.186 1.00 0.00 C ATOM 0 H LEU A 137 21.708 3.758 -3.561 1.00 0.00 H new ATOM 0 HA LEU A 137 21.353 6.228 -5.141 1.00 0.00 H new ATOM 0 HB2 LEU A 137 19.470 4.238 -3.906 1.00 0.00 H new ATOM 0 HB3 LEU A 137 18.943 5.814 -4.461 1.00 0.00 H new ATOM 0 HG LEU A 137 18.398 4.346 -6.156 1.00 0.00 H new ATOM 0 HD11 LEU A 137 19.775 4.937 -8.118 1.00 0.00 H new ATOM 0 HD12 LEU A 137 19.403 6.341 -7.090 1.00 0.00 H new ATOM 0 HD13 LEU A 137 21.018 5.596 -7.028 1.00 0.00 H new ATOM 0 HD21 LEU A 137 20.003 2.731 -7.194 1.00 0.00 H new ATOM 0 HD22 LEU A 137 21.232 3.228 -6.007 1.00 0.00 H new ATOM 0 HD23 LEU A 137 19.747 2.412 -5.462 1.00 0.00 H new ATOM 1226 N ARG A 138 22.191 7.226 -2.870 1.00 0.00 N ATOM 1227 CA ARG A 138 22.276 8.199 -1.794 1.00 0.00 C ATOM 1228 C ARG A 138 21.235 9.289 -1.960 1.00 0.00 C ATOM 1229 O ARG A 138 20.492 9.563 -1.024 1.00 0.00 O ATOM 1230 CB ARG A 138 23.672 8.814 -1.726 1.00 0.00 C ATOM 1231 CG ARG A 138 24.032 9.165 -0.281 1.00 0.00 C ATOM 1232 CD ARG A 138 25.532 9.422 -0.186 1.00 0.00 C ATOM 1233 NE ARG A 138 25.899 10.711 -0.779 1.00 0.00 N ATOM 1234 CZ ARG A 138 27.122 11.238 -0.865 1.00 0.00 C ATOM 1235 NH1 ARG A 138 28.160 10.647 -0.277 1.00 0.00 N ATOM 1236 NH2 ARG A 138 27.296 12.365 -1.545 1.00 0.00 N ATOM 0 H ARG A 138 23.042 7.126 -3.424 1.00 0.00 H new ATOM 0 HA ARG A 138 22.080 7.674 -0.859 1.00 0.00 H new ATOM 0 HB2 ARG A 138 24.404 8.115 -2.130 1.00 0.00 H new ATOM 0 HB3 ARG A 138 23.712 9.710 -2.345 1.00 0.00 H new ATOM 0 HG2 ARG A 138 23.479 10.048 0.040 1.00 0.00 H new ATOM 0 HG3 ARG A 138 23.748 8.351 0.385 1.00 0.00 H new ATOM 0 HD2 ARG A 138 25.839 9.402 0.860 1.00 0.00 H new ATOM 0 HD3 ARG A 138 26.071 8.622 -0.692 1.00 0.00 H new ATOM 0 HE ARG A 138 25.137 11.266 -1.168 1.00 0.00 H new ATOM 0 HH11 ARG A 138 28.025 9.782 0.246 1.00 0.00 H new ATOM 0 HH12 ARG A 138 29.090 11.059 -0.350 1.00 0.00 H new ATOM 0 HH21 ARG A 138 26.500 12.818 -1.994 1.00 0.00 H new ATOM 0 HH22 ARG A 138 28.226 12.778 -1.618 1.00 0.00 H new ATOM 1250 N SER A 139 21.128 9.859 -3.160 1.00 0.00 N ATOM 1251 CA SER A 139 20.225 10.966 -3.429 1.00 0.00 C ATOM 1252 C SER A 139 18.748 10.584 -3.256 1.00 0.00 C ATOM 1253 O SER A 139 17.903 11.474 -3.160 1.00 0.00 O ATOM 1254 CB SER A 139 20.500 11.525 -4.826 1.00 0.00 C ATOM 1255 OG SER A 139 21.892 11.730 -5.002 1.00 0.00 O ATOM 0 H SER A 139 21.669 9.562 -3.972 1.00 0.00 H new ATOM 0 HA SER A 139 20.419 11.742 -2.688 1.00 0.00 H new ATOM 0 HB2 SER A 139 20.127 10.834 -5.583 1.00 0.00 H new ATOM 0 HB3 SER A 139 19.966 12.465 -4.962 1.00 0.00 H new ATOM 0 HG SER A 139 22.059 12.086 -5.899 1.00 0.00 H new ATOM 1261 N LEU A 140 18.394 9.291 -3.201 1.00 0.00 N ATOM 1262 CA LEU A 140 17.051 8.854 -2.822 1.00 0.00 C ATOM 1263 C LEU A 140 16.900 8.939 -1.305 1.00 0.00 C ATOM 1264 O LEU A 140 15.918 9.499 -0.820 1.00 0.00 O ATOM 1265 CB LEU A 140 16.767 7.406 -3.251 1.00 0.00 C ATOM 1266 CG LEU A 140 16.336 7.137 -4.701 1.00 0.00 C ATOM 1267 CD1 LEU A 140 14.915 7.645 -4.981 1.00 0.00 C ATOM 1268 CD2 LEU A 140 17.303 7.649 -5.767 1.00 0.00 C ATOM 0 H LEU A 140 19.032 8.525 -3.418 1.00 0.00 H new ATOM 0 HA LEU A 140 16.343 9.509 -3.330 1.00 0.00 H new ATOM 0 HB2 LEU A 140 17.667 6.822 -3.060 1.00 0.00 H new ATOM 0 HB3 LEU A 140 15.988 7.014 -2.597 1.00 0.00 H new ATOM 0 HG LEU A 140 16.352 6.050 -4.783 1.00 0.00 H new ATOM 0 HD11 LEU A 140 14.651 7.434 -6.017 1.00 0.00 H new ATOM 0 HD12 LEU A 140 14.211 7.142 -4.318 1.00 0.00 H new ATOM 0 HD13 LEU A 140 14.872 8.720 -4.807 1.00 0.00 H new ATOM 0 HD21 LEU A 140 16.912 7.412 -6.757 1.00 0.00 H new ATOM 0 HD22 LEU A 140 17.413 8.729 -5.670 1.00 0.00 H new ATOM 0 HD23 LEU A 140 18.274 7.172 -5.637 1.00 0.00 H new ATOM 1280 N CYS A 141 17.857 8.371 -0.563 1.00 0.00 N ATOM 1281 CA CYS A 141 17.878 8.402 0.898 1.00 0.00 C ATOM 1282 C CYS A 141 17.925 9.840 1.426 1.00 0.00 C ATOM 1283 O CYS A 141 17.385 10.118 2.498 1.00 0.00 O ATOM 1284 CB CYS A 141 19.093 7.608 1.397 1.00 0.00 C ATOM 1285 SG CYS A 141 18.898 7.165 3.145 1.00 0.00 S ATOM 0 H CYS A 141 18.648 7.871 -0.969 1.00 0.00 H new ATOM 0 HA CYS A 141 16.961 7.948 1.273 1.00 0.00 H new ATOM 0 HB2 CYS A 141 19.213 6.704 0.799 1.00 0.00 H new ATOM 0 HB3 CYS A 141 19.999 8.200 1.266 1.00 0.00 H new ATOM 0 HG CYS A 141 19.938 6.493 3.541 1.00 0.00 H new ATOM 1291 N ALA A 142 18.577 10.723 0.668 1.00 0.00 N ATOM 1292 CA ALA A 142 18.574 12.162 0.815 1.00 0.00 C ATOM 1293 C ALA A 142 17.141 12.669 0.606 1.00 0.00 C ATOM 1294 O ALA A 142 16.484 12.992 1.587 1.00 0.00 O ATOM 1295 CB ALA A 142 19.603 12.758 -0.157 1.00 0.00 C ATOM 0 H ALA A 142 19.157 10.422 -0.115 1.00 0.00 H new ATOM 0 HA ALA A 142 18.874 12.479 1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 142 19.612 13.843 -0.057 1.00 0.00 H new ATOM 0 HB2 ALA A 142 20.593 12.364 0.074 1.00 0.00 H new ATOM 0 HB3 ALA A 142 19.336 12.490 -1.179 1.00 0.00 H new ATOM 1301 N GLN A 143 16.610 12.663 -0.627 1.00 0.00 N ATOM 1302 CA GLN A 143 15.287 13.206 -0.978 1.00 0.00 C ATOM 1303 C GLN A 143 14.181 12.791 -0.001 1.00 0.00 C ATOM 1304 O GLN A 143 13.396 13.627 0.448 1.00 0.00 O ATOM 1305 CB GLN A 143 14.900 12.763 -2.407 1.00 0.00 C ATOM 1306 CG GLN A 143 15.119 13.833 -3.488 1.00 0.00 C ATOM 1307 CD GLN A 143 13.907 14.760 -3.605 1.00 0.00 C ATOM 1308 OE1 GLN A 143 13.517 15.426 -2.655 1.00 0.00 O ATOM 1309 NE2 GLN A 143 13.229 14.788 -4.743 1.00 0.00 N ATOM 0 H GLN A 143 17.102 12.270 -1.429 1.00 0.00 H new ATOM 0 HA GLN A 143 15.373 14.291 -0.921 1.00 0.00 H new ATOM 0 HB2 GLN A 143 15.479 11.877 -2.668 1.00 0.00 H new ATOM 0 HB3 GLN A 143 13.850 12.470 -2.411 1.00 0.00 H new ATOM 0 HG2 GLN A 143 16.006 14.419 -3.248 1.00 0.00 H new ATOM 0 HG3 GLN A 143 15.305 13.351 -4.448 1.00 0.00 H new ATOM 0 HE21 GLN A 143 13.547 14.236 -5.540 1.00 0.00 H new ATOM 0 HE22 GLN A 143 12.389 15.361 -4.822 1.00 0.00 H new ATOM 1318 N ALA A 144 14.152 11.505 0.365 1.00 0.00 N ATOM 1319 CA ALA A 144 13.202 10.914 1.302 1.00 0.00 C ATOM 1320 C ALA A 144 13.111 11.648 2.649 1.00 0.00 C ATOM 1321 O ALA A 144 12.114 11.512 3.368 1.00 0.00 O ATOM 1322 CB ALA A 144 13.633 9.467 1.535 1.00 0.00 C ATOM 0 H ALA A 144 14.818 10.824 -0.000 1.00 0.00 H new ATOM 0 HA ALA A 144 12.208 10.987 0.862 1.00 0.00 H new ATOM 0 HB1 ALA A 144 12.945 8.990 2.233 1.00 0.00 H new ATOM 0 HB2 ALA A 144 13.622 8.927 0.588 1.00 0.00 H new ATOM 0 HB3 ALA A 144 14.640 9.450 1.951 1.00 0.00 H new ATOM 1328 N GLN A 145 14.156 12.392 2.999 1.00 0.00 N ATOM 1329 CA GLN A 145 14.436 12.986 4.289 1.00 0.00 C ATOM 1330 C GLN A 145 14.750 14.488 4.134 1.00 0.00 C ATOM 1331 O GLN A 145 15.068 15.154 5.120 1.00 0.00 O ATOM 1332 CB GLN A 145 15.598 12.194 4.916 1.00 0.00 C ATOM 1333 CG GLN A 145 15.158 10.764 5.289 1.00 0.00 C ATOM 1334 CD GLN A 145 16.220 10.042 6.107 1.00 0.00 C ATOM 1335 OE1 GLN A 145 16.007 9.712 7.274 1.00 0.00 O ATOM 1336 NE2 GLN A 145 17.374 9.790 5.515 1.00 0.00 N ATOM 0 H GLN A 145 14.888 12.610 2.323 1.00 0.00 H new ATOM 0 HA GLN A 145 13.571 12.930 4.950 1.00 0.00 H new ATOM 0 HB2 GLN A 145 16.432 12.150 4.215 1.00 0.00 H new ATOM 0 HB3 GLN A 145 15.956 12.711 5.806 1.00 0.00 H new ATOM 0 HG2 GLN A 145 14.228 10.806 5.856 1.00 0.00 H new ATOM 0 HG3 GLN A 145 14.952 10.198 4.380 1.00 0.00 H new ATOM 0 HE21 GLN A 145 17.523 10.075 4.547 1.00 0.00 H new ATOM 0 HE22 GLN A 145 18.115 9.311 6.026 1.00 0.00 H new