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 Set 1.1: A 130 HIS : no HD1:sc= -2.07! K(o=-2.3!,f=-0.95) USER MOD Set 1.2: A 134 GLN : amide:sc= -0.245 K(o=-2.3,f=-4.1!) USER MOD Set 2.1: A 107 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 76 LYS NZ :NH3+ 173:sc= -0.093 (180deg=-0.351) USER MOD Set 3.2: A 106 THR OG1 : rot 180:sc= 0.285 USER MOD Set 4.1: A 80 LYS NZ :NH3+ 176:sc= 0.979 (180deg=0) USER MOD Set 4.2: A 83 GLN : amide:sc= 0.853 K(o=1.8,f=-3.2) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 30:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc=-0.000575 K(o=-0.00057,f=-0.98) 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 113 SER OG : rot -10:sc= 0.419 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -0.0458 X(o=-0.046,f=-0.046) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= -0.311 K(o=-0.31,f=-2.5!) USER MOD Single : A 131 THR OG1 : rot 66:sc= 0.727 USER MOD Single : A 135 MET CE :methyl 135:sc= -0.478 (180deg=-6.4!) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 141 CYS SG : rot 180:sc= -0.719 USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 145 GLN : amide:sc= 0.438 X(o=0.44,f=0) USER MOD ----------------------------------------------------------------- ATOM 52 N TRP A 64 1.870 6.264 3.487 1.00 0.00 N ATOM 53 CA TRP A 64 2.834 6.396 2.410 1.00 0.00 C ATOM 54 C TRP A 64 2.844 7.818 1.864 1.00 0.00 C ATOM 55 O TRP A 64 3.862 8.493 1.984 1.00 0.00 O ATOM 56 CB TRP A 64 2.617 5.332 1.316 1.00 0.00 C ATOM 57 CG TRP A 64 1.277 4.673 1.201 1.00 0.00 C ATOM 58 CD1 TRP A 64 0.917 3.526 1.818 1.00 0.00 C ATOM 59 CD2 TRP A 64 0.142 5.053 0.372 1.00 0.00 C ATOM 60 NE1 TRP A 64 -0.358 3.175 1.429 1.00 0.00 N ATOM 61 CE2 TRP A 64 -0.893 4.091 0.549 1.00 0.00 C ATOM 62 CE3 TRP A 64 -0.120 6.121 -0.508 1.00 0.00 C ATOM 63 CZ2 TRP A 64 -2.128 4.190 -0.108 1.00 0.00 C ATOM 64 CZ3 TRP A 64 -1.361 6.243 -1.161 1.00 0.00 C ATOM 65 CH2 TRP A 64 -2.364 5.279 -0.964 1.00 0.00 C ATOM 0 HA TRP A 64 3.828 6.206 2.816 1.00 0.00 H new ATOM 0 HB2 TRP A 64 2.839 5.797 0.356 1.00 0.00 H new ATOM 0 HB3 TRP A 64 3.358 4.547 1.468 1.00 0.00 H new ATOM 0 HD1 TRP A 64 1.533 2.970 2.509 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.846 2.340 1.753 1.00 0.00 H new ATOM 0 HE3 TRP A 64 0.646 6.861 -0.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.889 3.438 0.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -1.543 7.082 -1.817 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -3.314 5.375 -1.469 1.00 0.00 H new ATOM 76 N GLY A 65 1.747 8.253 1.235 1.00 0.00 N ATOM 77 CA GLY A 65 1.703 9.474 0.437 1.00 0.00 C ATOM 78 C GLY A 65 2.911 9.522 -0.503 1.00 0.00 C ATOM 79 O GLY A 65 3.061 8.632 -1.350 1.00 0.00 O ATOM 0 H GLY A 65 0.856 7.758 1.269 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.779 9.509 -0.141 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.704 10.347 1.090 1.00 0.00 H new ATOM 83 N ARG A 66 3.807 10.489 -0.262 1.00 0.00 N ATOM 84 CA ARG A 66 5.082 10.722 -0.952 1.00 0.00 C ATOM 85 C ARG A 66 5.933 9.464 -1.113 1.00 0.00 C ATOM 86 O ARG A 66 6.756 9.431 -2.021 1.00 0.00 O ATOM 87 CB ARG A 66 5.892 11.798 -0.190 1.00 0.00 C ATOM 88 CG ARG A 66 5.329 13.221 -0.331 1.00 0.00 C ATOM 89 CD ARG A 66 5.922 13.972 -1.527 1.00 0.00 C ATOM 90 NE ARG A 66 5.019 15.044 -1.984 1.00 0.00 N ATOM 91 CZ ARG A 66 4.697 15.284 -3.261 1.00 0.00 C ATOM 92 NH1 ARG A 66 5.394 14.722 -4.244 1.00 0.00 N ATOM 93 NH2 ARG A 66 3.651 16.045 -3.544 1.00 0.00 N ATOM 0 H ARG A 66 3.648 11.178 0.473 1.00 0.00 H new ATOM 0 HA ARG A 66 4.833 11.059 -1.958 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.923 11.534 0.867 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.920 11.788 -0.552 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.246 13.170 -0.439 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.532 13.781 0.582 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.886 14.398 -1.250 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.105 13.274 -2.344 1.00 0.00 H new ATOM 0 HE ARG A 66 4.608 15.649 -1.273 1.00 0.00 H new ATOM 0 HH11 ARG A 66 6.177 14.106 -4.026 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.146 14.907 -5.216 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.093 16.446 -2.790 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.403 16.230 -4.516 1.00 0.00 H new ATOM 107 N LEU A 67 5.747 8.416 -0.305 1.00 0.00 N ATOM 108 CA LEU A 67 6.494 7.161 -0.393 1.00 0.00 C ATOM 109 C LEU A 67 6.492 6.660 -1.842 1.00 0.00 C ATOM 110 O LEU A 67 7.550 6.425 -2.420 1.00 0.00 O ATOM 111 CB LEU A 67 5.925 6.130 0.596 1.00 0.00 C ATOM 112 CG LEU A 67 6.941 5.088 1.095 1.00 0.00 C ATOM 113 CD1 LEU A 67 6.372 4.354 2.312 1.00 0.00 C ATOM 114 CD2 LEU A 67 7.317 4.039 0.049 1.00 0.00 C ATOM 0 H LEU A 67 5.056 8.418 0.446 1.00 0.00 H new ATOM 0 HA LEU A 67 7.533 7.325 -0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.516 6.660 1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.095 5.609 0.119 1.00 0.00 H new ATOM 0 HG LEU A 67 7.843 5.649 1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.094 3.617 2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.170 5.071 3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.446 3.851 2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.037 3.341 0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.424 3.496 -0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.759 4.531 -0.817 1.00 0.00 H new ATOM 126 N ALA A 68 5.316 6.573 -2.472 1.00 0.00 N ATOM 127 CA ALA A 68 5.219 6.052 -3.832 1.00 0.00 C ATOM 128 C ALA A 68 5.765 7.013 -4.903 1.00 0.00 C ATOM 129 O ALA A 68 5.922 6.579 -6.043 1.00 0.00 O ATOM 130 CB ALA A 68 3.778 5.648 -4.152 1.00 0.00 C ATOM 0 H ALA A 68 4.426 6.855 -2.062 1.00 0.00 H new ATOM 0 HA ALA A 68 5.859 5.170 -3.865 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.726 5.262 -5.170 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.453 4.876 -3.454 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.127 6.518 -4.060 1.00 0.00 H new ATOM 136 N CYS A 69 6.057 8.281 -4.577 1.00 0.00 N ATOM 137 CA CYS A 69 6.746 9.213 -5.470 1.00 0.00 C ATOM 138 C CYS A 69 8.223 8.827 -5.572 1.00 0.00 C ATOM 139 O CYS A 69 8.774 8.807 -6.673 1.00 0.00 O ATOM 140 CB CYS A 69 6.582 10.658 -4.970 1.00 0.00 C ATOM 141 SG CYS A 69 7.517 11.847 -5.972 1.00 0.00 S ATOM 0 H CYS A 69 5.817 8.689 -3.674 1.00 0.00 H new ATOM 0 HA CYS A 69 6.302 9.155 -6.464 1.00 0.00 H new ATOM 0 HB2 CYS A 69 5.526 10.927 -4.984 1.00 0.00 H new ATOM 0 HB3 CYS A 69 6.913 10.721 -3.933 1.00 0.00 H new ATOM 0 HG CYS A 69 7.337 13.046 -5.503 1.00 0.00 H new ATOM 147 N TYR A 70 8.869 8.469 -4.451 1.00 0.00 N ATOM 148 CA TYR A 70 10.230 7.932 -4.513 1.00 0.00 C ATOM 149 C TYR A 70 10.197 6.692 -5.412 1.00 0.00 C ATOM 150 O TYR A 70 10.996 6.549 -6.337 1.00 0.00 O ATOM 151 CB TYR A 70 10.801 7.569 -3.128 1.00 0.00 C ATOM 152 CG TYR A 70 10.808 8.664 -2.075 1.00 0.00 C ATOM 153 CD1 TYR A 70 9.682 8.826 -1.258 1.00 0.00 C ATOM 154 CD2 TYR A 70 11.929 9.487 -1.860 1.00 0.00 C ATOM 155 CE1 TYR A 70 9.641 9.790 -0.241 1.00 0.00 C ATOM 156 CE2 TYR A 70 11.901 10.464 -0.844 1.00 0.00 C ATOM 157 CZ TYR A 70 10.760 10.620 -0.023 1.00 0.00 C ATOM 158 OH TYR A 70 10.742 11.555 0.967 1.00 0.00 O ATOM 0 H TYR A 70 8.478 8.541 -3.512 1.00 0.00 H new ATOM 0 HA TYR A 70 10.889 8.702 -4.915 1.00 0.00 H new ATOM 0 HB2 TYR A 70 10.230 6.727 -2.737 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.826 7.224 -3.264 1.00 0.00 H new ATOM 0 HD1 TYR A 70 8.822 8.191 -1.416 1.00 0.00 H new ATOM 0 HD2 TYR A 70 12.810 9.370 -2.473 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.758 9.896 0.372 1.00 0.00 H new ATOM 0 HE2 TYR A 70 12.760 11.100 -0.691 1.00 0.00 H new ATOM 0 HH TYR A 70 10.167 11.246 1.698 1.00 0.00 H new ATOM 168 N LEU A 71 9.200 5.830 -5.185 1.00 0.00 N ATOM 169 CA LEU A 71 8.982 4.601 -5.939 1.00 0.00 C ATOM 170 C LEU A 71 8.335 4.848 -7.312 1.00 0.00 C ATOM 171 O LEU A 71 7.761 3.923 -7.888 1.00 0.00 O ATOM 172 CB LEU A 71 8.185 3.574 -5.111 1.00 0.00 C ATOM 173 CG LEU A 71 8.629 3.391 -3.650 1.00 0.00 C ATOM 174 CD1 LEU A 71 7.788 2.300 -2.984 1.00 0.00 C ATOM 175 CD2 LEU A 71 10.115 3.074 -3.497 1.00 0.00 C ATOM 0 H LEU A 71 8.507 5.976 -4.451 1.00 0.00 H new ATOM 0 HA LEU A 71 9.967 4.180 -6.141 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.136 3.869 -5.116 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.247 2.608 -5.612 1.00 0.00 H new ATOM 0 HG LEU A 71 8.468 4.349 -3.155 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.107 2.175 -1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.736 2.586 -3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.920 1.360 -3.520 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.355 2.958 -2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.346 2.149 -4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.706 3.888 -3.916 1.00 0.00 H new ATOM 187 N GLU A 72 8.350 6.076 -7.835 1.00 0.00 N ATOM 188 CA GLU A 72 7.983 6.368 -9.220 1.00 0.00 C ATOM 189 C GLU A 72 9.239 6.598 -10.064 1.00 0.00 C ATOM 190 O GLU A 72 9.195 6.406 -11.279 1.00 0.00 O ATOM 191 CB GLU A 72 7.049 7.595 -9.293 1.00 0.00 C ATOM 192 CG GLU A 72 5.649 7.258 -9.813 1.00 0.00 C ATOM 193 CD GLU A 72 5.639 6.815 -11.279 1.00 0.00 C ATOM 194 OE1 GLU A 72 5.823 5.604 -11.557 1.00 0.00 O ATOM 195 OE2 GLU A 72 5.411 7.672 -12.159 1.00 0.00 O ATOM 0 H GLU A 72 8.620 6.903 -7.303 1.00 0.00 H new ATOM 0 HA GLU A 72 7.445 5.509 -9.622 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.964 8.038 -8.301 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.499 8.348 -9.941 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.221 6.466 -9.198 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.007 8.131 -9.700 1.00 0.00 H new ATOM 202 N PHE A 73 10.360 6.993 -9.449 1.00 0.00 N ATOM 203 CA PHE A 73 11.602 7.240 -10.172 1.00 0.00 C ATOM 204 C PHE A 73 12.137 5.913 -10.737 1.00 0.00 C ATOM 205 O PHE A 73 12.417 5.831 -11.937 1.00 0.00 O ATOM 206 CB PHE A 73 12.598 8.018 -9.281 1.00 0.00 C ATOM 207 CG PHE A 73 13.930 7.337 -9.049 1.00 0.00 C ATOM 208 CD1 PHE A 73 14.929 7.398 -10.036 1.00 0.00 C ATOM 209 CD2 PHE A 73 14.134 6.556 -7.897 1.00 0.00 C ATOM 210 CE1 PHE A 73 16.125 6.683 -9.873 1.00 0.00 C ATOM 211 CE2 PHE A 73 15.313 5.807 -7.757 1.00 0.00 C ATOM 212 CZ PHE A 73 16.314 5.876 -8.740 1.00 0.00 C ATOM 0 H PHE A 73 10.427 7.148 -8.443 1.00 0.00 H new ATOM 0 HA PHE A 73 11.431 7.886 -11.033 1.00 0.00 H new ATOM 0 HB2 PHE A 73 12.781 8.992 -9.735 1.00 0.00 H new ATOM 0 HB3 PHE A 73 12.129 8.200 -8.314 1.00 0.00 H new ATOM 0 HD1 PHE A 73 14.776 7.997 -10.922 1.00 0.00 H new ATOM 0 HD2 PHE A 73 13.384 6.533 -7.120 1.00 0.00 H new ATOM 0 HE1 PHE A 73 16.901 6.754 -10.620 1.00 0.00 H new ATOM 0 HE2 PHE A 73 15.451 5.176 -6.891 1.00 0.00 H new ATOM 0 HZ PHE A 73 17.226 5.310 -8.624 1.00 0.00 H new ATOM 222 N LEU A 74 12.221 4.872 -9.898 1.00 0.00 N ATOM 223 CA LEU A 74 12.736 3.562 -10.284 1.00 0.00 C ATOM 224 C LEU A 74 11.616 2.596 -10.646 1.00 0.00 C ATOM 225 O LEU A 74 10.498 2.666 -10.130 1.00 0.00 O ATOM 226 CB LEU A 74 13.705 2.978 -9.240 1.00 0.00 C ATOM 227 CG LEU A 74 13.137 2.362 -7.946 1.00 0.00 C ATOM 228 CD1 LEU A 74 14.288 1.927 -7.029 1.00 0.00 C ATOM 229 CD2 LEU A 74 12.211 3.286 -7.157 1.00 0.00 C ATOM 0 H LEU A 74 11.929 4.922 -8.922 1.00 0.00 H new ATOM 0 HA LEU A 74 13.325 3.711 -11.189 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.297 2.209 -9.736 1.00 0.00 H new ATOM 0 HB3 LEU A 74 14.393 3.773 -8.950 1.00 0.00 H new ATOM 0 HG LEU A 74 12.534 1.513 -8.269 1.00 0.00 H new ATOM 0 HD11 LEU A 74 13.881 1.492 -6.116 1.00 0.00 H new ATOM 0 HD12 LEU A 74 14.901 1.186 -7.542 1.00 0.00 H new ATOM 0 HD13 LEU A 74 14.900 2.793 -6.777 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.859 2.771 -6.263 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.755 4.185 -6.867 1.00 0.00 H new ATOM 0 HD23 LEU A 74 11.358 3.562 -7.777 1.00 0.00 H new ATOM 241 N LYS A 75 11.956 1.662 -11.524 1.00 0.00 N ATOM 242 CA LYS A 75 11.108 0.647 -12.153 1.00 0.00 C ATOM 243 C LYS A 75 11.773 -0.706 -11.912 1.00 0.00 C ATOM 244 O LYS A 75 12.663 -0.790 -11.062 1.00 0.00 O ATOM 245 CB LYS A 75 10.933 0.988 -13.645 1.00 0.00 C ATOM 246 CG LYS A 75 10.067 2.237 -13.862 1.00 0.00 C ATOM 247 CD LYS A 75 10.073 2.693 -15.328 1.00 0.00 C ATOM 248 CE LYS A 75 9.215 3.955 -15.489 1.00 0.00 C ATOM 249 NZ LYS A 75 7.763 3.671 -15.476 1.00 0.00 N ATOM 0 H LYS A 75 12.921 1.585 -11.847 1.00 0.00 H new ATOM 0 HA LYS A 75 10.105 0.616 -11.728 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.913 1.146 -14.096 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.478 0.140 -14.158 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.043 2.027 -13.552 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.432 3.046 -13.229 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.095 2.894 -15.651 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.688 1.898 -15.966 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.451 4.653 -14.686 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.475 4.448 -16.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.234 4.560 -15.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.528 3.027 -16.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.504 3.226 -14.572 1.00 0.00 H new ATOM 263 N LYS A 76 11.347 -1.801 -12.561 1.00 0.00 N ATOM 264 CA LYS A 76 11.839 -3.146 -12.207 1.00 0.00 C ATOM 265 C LYS A 76 13.364 -3.243 -12.225 1.00 0.00 C ATOM 266 O LYS A 76 13.888 -4.054 -11.464 1.00 0.00 O ATOM 267 CB LYS A 76 11.284 -4.229 -13.145 1.00 0.00 C ATOM 268 CG LYS A 76 10.005 -4.954 -12.714 1.00 0.00 C ATOM 269 CD LYS A 76 8.800 -4.062 -12.399 1.00 0.00 C ATOM 270 CE LYS A 76 8.569 -3.904 -10.895 1.00 0.00 C ATOM 271 NZ LYS A 76 8.188 -5.181 -10.252 1.00 0.00 N ATOM 0 H LYS A 76 10.671 -1.785 -13.325 1.00 0.00 H new ATOM 0 HA LYS A 76 11.482 -3.315 -11.191 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.099 -3.770 -14.116 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.062 -4.978 -13.290 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.721 -5.648 -13.505 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.230 -5.552 -11.831 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.952 -3.079 -12.846 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.907 -4.486 -12.858 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.476 -3.520 -10.428 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.786 -3.165 -10.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.157 -5.055 -9.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.251 -5.475 -10.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.888 -5.912 -10.490 1.00 0.00 H new ATOM 285 N GLU A 77 14.049 -2.430 -13.036 1.00 0.00 N ATOM 286 CA GLU A 77 15.504 -2.396 -13.192 1.00 0.00 C ATOM 287 C GLU A 77 16.224 -2.411 -11.843 1.00 0.00 C ATOM 288 O GLU A 77 17.269 -3.054 -11.733 1.00 0.00 O ATOM 289 CB GLU A 77 15.891 -1.146 -13.993 1.00 0.00 C ATOM 290 CG GLU A 77 15.464 -1.225 -15.468 1.00 0.00 C ATOM 291 CD GLU A 77 15.090 0.138 -16.054 1.00 0.00 C ATOM 292 OE1 GLU A 77 14.335 0.881 -15.388 1.00 0.00 O ATOM 293 OE2 GLU A 77 15.389 0.393 -17.238 1.00 0.00 O ATOM 0 H GLU A 77 13.580 -1.746 -13.629 1.00 0.00 H new ATOM 0 HA GLU A 77 15.815 -3.293 -13.728 1.00 0.00 H new ATOM 0 HB2 GLU A 77 15.433 -0.270 -13.534 1.00 0.00 H new ATOM 0 HB3 GLU A 77 16.971 -1.006 -13.939 1.00 0.00 H new ATOM 0 HG2 GLU A 77 16.276 -1.656 -16.053 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.613 -1.900 -15.559 1.00 0.00 H new ATOM 300 N GLU A 78 15.667 -1.774 -10.807 1.00 0.00 N ATOM 301 CA GLU A 78 16.173 -1.914 -9.452 1.00 0.00 C ATOM 302 C GLU A 78 15.073 -1.923 -8.374 1.00 0.00 C ATOM 303 O GLU A 78 15.369 -2.287 -7.246 1.00 0.00 O ATOM 304 CB GLU A 78 17.277 -0.878 -9.195 1.00 0.00 C ATOM 305 CG GLU A 78 16.836 0.577 -9.406 1.00 0.00 C ATOM 306 CD GLU A 78 17.120 1.095 -10.814 1.00 0.00 C ATOM 307 OE1 GLU A 78 18.276 1.487 -11.093 1.00 0.00 O ATOM 308 OE2 GLU A 78 16.183 1.185 -11.640 1.00 0.00 O ATOM 0 H GLU A 78 14.861 -1.155 -10.890 1.00 0.00 H new ATOM 0 HA GLU A 78 16.618 -2.905 -9.368 1.00 0.00 H new ATOM 0 HB2 GLU A 78 17.636 -0.992 -8.172 1.00 0.00 H new ATOM 0 HB3 GLU A 78 18.119 -1.090 -9.854 1.00 0.00 H new ATOM 0 HG2 GLU A 78 15.768 0.659 -9.205 1.00 0.00 H new ATOM 0 HG3 GLU A 78 17.346 1.213 -8.682 1.00 0.00 H new ATOM 315 N LEU A 79 13.795 -1.633 -8.662 1.00 0.00 N ATOM 316 CA LEU A 79 12.685 -1.808 -7.703 1.00 0.00 C ATOM 317 C LEU A 79 12.529 -3.276 -7.274 1.00 0.00 C ATOM 318 O LEU A 79 12.190 -3.581 -6.127 1.00 0.00 O ATOM 319 CB LEU A 79 11.368 -1.327 -8.343 1.00 0.00 C ATOM 320 CG LEU A 79 10.128 -1.379 -7.429 1.00 0.00 C ATOM 321 CD1 LEU A 79 10.218 -0.377 -6.276 1.00 0.00 C ATOM 322 CD2 LEU A 79 8.890 -1.098 -8.286 1.00 0.00 C ATOM 0 H LEU A 79 13.498 -1.270 -9.568 1.00 0.00 H new ATOM 0 HA LEU A 79 12.916 -1.216 -6.817 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.504 -0.301 -8.684 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.172 -1.933 -9.227 1.00 0.00 H new ATOM 0 HG LEU A 79 10.066 -2.369 -6.976 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.322 -0.450 -5.659 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.096 -0.599 -5.669 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.300 0.633 -6.677 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.999 -1.130 -7.659 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.979 -0.111 -8.741 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.810 -1.853 -9.069 1.00 0.00 H new ATOM 334 N LYS A 80 12.736 -4.200 -8.214 1.00 0.00 N ATOM 335 CA LYS A 80 12.844 -5.632 -7.914 1.00 0.00 C ATOM 336 C LYS A 80 14.038 -5.876 -7.010 1.00 0.00 C ATOM 337 O LYS A 80 13.846 -6.472 -5.959 1.00 0.00 O ATOM 338 CB LYS A 80 12.885 -6.475 -9.197 1.00 0.00 C ATOM 339 CG LYS A 80 12.994 -7.991 -8.947 1.00 0.00 C ATOM 340 CD LYS A 80 11.843 -8.649 -8.155 1.00 0.00 C ATOM 341 CE LYS A 80 12.311 -9.092 -6.757 1.00 0.00 C ATOM 342 NZ LYS A 80 11.268 -9.809 -5.993 1.00 0.00 N ATOM 0 H LYS A 80 12.834 -3.978 -9.205 1.00 0.00 H new ATOM 0 HA LYS A 80 11.951 -5.953 -7.378 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.985 -6.277 -9.779 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.733 -6.155 -9.803 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.071 -8.490 -9.913 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.926 -8.182 -8.414 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.016 -7.946 -8.059 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.466 -9.511 -8.705 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.184 -9.737 -6.861 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.628 -8.215 -6.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.664 -10.139 -5.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.471 -9.167 -5.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.934 -10.625 -6.544 1.00 0.00 H new ATOM 356 N GLU A 81 15.230 -5.414 -7.359 1.00 0.00 N ATOM 357 CA GLU A 81 16.386 -5.616 -6.494 1.00 0.00 C ATOM 358 C GLU A 81 16.143 -5.025 -5.108 1.00 0.00 C ATOM 359 O GLU A 81 16.456 -5.673 -4.121 1.00 0.00 O ATOM 360 CB GLU A 81 17.642 -5.060 -7.161 1.00 0.00 C ATOM 361 CG GLU A 81 18.312 -6.130 -8.027 1.00 0.00 C ATOM 362 CD GLU A 81 17.375 -6.949 -8.931 1.00 0.00 C ATOM 363 OE1 GLU A 81 17.029 -6.513 -10.056 1.00 0.00 O ATOM 364 OE2 GLU A 81 16.999 -8.078 -8.540 1.00 0.00 O ATOM 0 H GLU A 81 15.422 -4.904 -8.221 1.00 0.00 H new ATOM 0 HA GLU A 81 16.542 -6.685 -6.347 1.00 0.00 H new ATOM 0 HB2 GLU A 81 17.383 -4.198 -7.775 1.00 0.00 H new ATOM 0 HB3 GLU A 81 18.340 -4.711 -6.400 1.00 0.00 H new ATOM 0 HG2 GLU A 81 19.059 -5.645 -8.656 1.00 0.00 H new ATOM 0 HG3 GLU A 81 18.845 -6.818 -7.371 1.00 0.00 H new ATOM 371 N PHE A 82 15.472 -3.883 -5.002 1.00 0.00 N ATOM 372 CA PHE A 82 15.121 -3.280 -3.734 1.00 0.00 C ATOM 373 C PHE A 82 14.305 -4.245 -2.873 1.00 0.00 C ATOM 374 O PHE A 82 14.725 -4.588 -1.771 1.00 0.00 O ATOM 375 CB PHE A 82 14.386 -1.961 -3.981 1.00 0.00 C ATOM 376 CG PHE A 82 14.283 -1.149 -2.720 1.00 0.00 C ATOM 377 CD1 PHE A 82 13.181 -1.312 -1.859 1.00 0.00 C ATOM 378 CD2 PHE A 82 15.330 -0.277 -2.375 1.00 0.00 C ATOM 379 CE1 PHE A 82 13.124 -0.585 -0.661 1.00 0.00 C ATOM 380 CE2 PHE A 82 15.267 0.447 -1.180 1.00 0.00 C ATOM 381 CZ PHE A 82 14.159 0.307 -0.342 1.00 0.00 C ATOM 0 H PHE A 82 15.155 -3.347 -5.810 1.00 0.00 H new ATOM 0 HA PHE A 82 16.031 -3.061 -3.175 1.00 0.00 H new ATOM 0 HB2 PHE A 82 14.911 -1.387 -4.744 1.00 0.00 H new ATOM 0 HB3 PHE A 82 13.387 -2.165 -4.367 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.384 -1.993 -2.120 1.00 0.00 H new ATOM 0 HD2 PHE A 82 16.181 -0.166 -3.031 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.289 -0.711 0.012 1.00 0.00 H new ATOM 0 HE2 PHE A 82 16.073 1.112 -0.906 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.098 0.893 0.563 1.00 0.00 H new ATOM 391 N GLN A 83 13.143 -4.705 -3.360 1.00 0.00 N ATOM 392 CA GLN A 83 12.281 -5.596 -2.577 1.00 0.00 C ATOM 393 C GLN A 83 12.965 -6.942 -2.263 1.00 0.00 C ATOM 394 O GLN A 83 12.566 -7.610 -1.308 1.00 0.00 O ATOM 395 CB GLN A 83 10.900 -5.784 -3.250 1.00 0.00 C ATOM 396 CG GLN A 83 11.005 -6.594 -4.546 1.00 0.00 C ATOM 397 CD GLN A 83 9.720 -6.776 -5.341 1.00 0.00 C ATOM 398 OE1 GLN A 83 9.185 -7.880 -5.458 1.00 0.00 O ATOM 399 NE2 GLN A 83 9.287 -5.727 -6.015 1.00 0.00 N ATOM 0 H GLN A 83 12.782 -4.475 -4.286 1.00 0.00 H new ATOM 0 HA GLN A 83 12.106 -5.111 -1.617 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.225 -6.289 -2.559 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.465 -4.808 -3.465 1.00 0.00 H new ATOM 0 HG2 GLN A 83 11.739 -6.111 -5.191 1.00 0.00 H new ATOM 0 HG3 GLN A 83 11.396 -7.581 -4.300 1.00 0.00 H new ATOM 0 HE21 GLN A 83 9.746 -4.823 -5.902 1.00 0.00 H new ATOM 0 HE22 GLN A 83 8.493 -5.820 -6.649 1.00 0.00 H new ATOM 408 N LEU A 84 13.951 -7.347 -3.070 1.00 0.00 N ATOM 409 CA LEU A 84 14.768 -8.530 -2.939 1.00 0.00 C ATOM 410 C LEU A 84 15.782 -8.342 -1.804 1.00 0.00 C ATOM 411 O LEU A 84 15.682 -9.022 -0.787 1.00 0.00 O ATOM 412 CB LEU A 84 15.423 -8.737 -4.317 1.00 0.00 C ATOM 413 CG LEU A 84 15.933 -10.147 -4.573 1.00 0.00 C ATOM 414 CD1 LEU A 84 16.544 -10.164 -5.977 1.00 0.00 C ATOM 415 CD2 LEU A 84 16.959 -10.639 -3.552 1.00 0.00 C ATOM 0 H LEU A 84 14.209 -6.803 -3.894 1.00 0.00 H new ATOM 0 HA LEU A 84 14.196 -9.418 -2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 84 14.699 -8.481 -5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.255 -8.040 -4.417 1.00 0.00 H new ATOM 0 HG LEU A 84 15.088 -10.830 -4.480 1.00 0.00 H new ATOM 0 HD11 LEU A 84 16.922 -11.162 -6.197 1.00 0.00 H new ATOM 0 HD12 LEU A 84 15.782 -9.895 -6.709 1.00 0.00 H new ATOM 0 HD13 LEU A 84 17.363 -9.447 -6.026 1.00 0.00 H new ATOM 0 HD21 LEU A 84 17.270 -11.652 -3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 84 17.827 -9.979 -3.561 1.00 0.00 H new ATOM 0 HD23 LEU A 84 16.513 -10.637 -2.558 1.00 0.00 H new ATOM 427 N LEU A 85 16.728 -7.410 -1.961 1.00 0.00 N ATOM 428 CA LEU A 85 17.818 -7.091 -1.034 1.00 0.00 C ATOM 429 C LEU A 85 17.295 -6.879 0.388 1.00 0.00 C ATOM 430 O LEU A 85 17.835 -7.440 1.344 1.00 0.00 O ATOM 431 CB LEU A 85 18.537 -5.824 -1.533 1.00 0.00 C ATOM 432 CG LEU A 85 19.323 -6.010 -2.845 1.00 0.00 C ATOM 433 CD1 LEU A 85 19.642 -4.646 -3.453 1.00 0.00 C ATOM 434 CD2 LEU A 85 20.630 -6.770 -2.643 1.00 0.00 C ATOM 0 H LEU A 85 16.754 -6.820 -2.793 1.00 0.00 H new ATOM 0 HA LEU A 85 18.515 -7.929 -1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 85 17.799 -5.035 -1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.223 -5.482 -0.758 1.00 0.00 H new ATOM 0 HG LEU A 85 18.691 -6.597 -3.512 1.00 0.00 H new ATOM 0 HD11 LEU A 85 20.198 -4.782 -4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 85 18.714 -4.114 -3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 85 20.243 -4.067 -2.752 1.00 0.00 H new ATOM 0 HD21 LEU A 85 21.143 -6.872 -3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 85 21.266 -6.222 -1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 85 20.417 -7.759 -2.238 1.00 0.00 H new ATOM 446 N LEU A 86 16.191 -6.135 0.510 1.00 0.00 N ATOM 447 CA LEU A 86 15.358 -5.976 1.686 1.00 0.00 C ATOM 448 C LEU A 86 15.172 -7.308 2.406 1.00 0.00 C ATOM 449 O LEU A 86 15.508 -7.427 3.586 1.00 0.00 O ATOM 450 CB LEU A 86 14.028 -5.372 1.193 1.00 0.00 C ATOM 451 CG LEU A 86 12.759 -5.646 2.009 1.00 0.00 C ATOM 452 CD1 LEU A 86 12.886 -5.281 3.481 1.00 0.00 C ATOM 453 CD2 LEU A 86 11.612 -4.846 1.400 1.00 0.00 C ATOM 0 H LEU A 86 15.837 -5.590 -0.277 1.00 0.00 H new ATOM 0 HA LEU A 86 15.816 -5.316 2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 86 14.156 -4.291 1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.855 -5.732 0.179 1.00 0.00 H new ATOM 0 HG LEU A 86 12.578 -6.720 1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.950 -5.503 3.993 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.692 -5.861 3.931 1.00 0.00 H new ATOM 0 HD13 LEU A 86 13.108 -4.218 3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.700 -5.028 1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.853 -3.783 1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.463 -5.154 0.365 1.00 0.00 H new ATOM 465 N ALA A 87 14.615 -8.303 1.720 1.00 0.00 N ATOM 466 CA ALA A 87 14.217 -9.559 2.330 1.00 0.00 C ATOM 467 C ALA A 87 15.421 -10.389 2.781 1.00 0.00 C ATOM 468 O ALA A 87 15.272 -11.270 3.627 1.00 0.00 O ATOM 469 CB ALA A 87 13.411 -10.372 1.314 1.00 0.00 C ATOM 0 H ALA A 87 14.428 -8.255 0.718 1.00 0.00 H new ATOM 0 HA ALA A 87 13.620 -9.326 3.212 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.108 -11.318 1.763 1.00 0.00 H new ATOM 0 HB2 ALA A 87 12.525 -9.810 1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.026 -10.568 0.435 1.00 0.00 H new ATOM 475 N ASN A 88 16.605 -10.113 2.227 1.00 0.00 N ATOM 476 CA ASN A 88 17.848 -10.743 2.651 1.00 0.00 C ATOM 477 C ASN A 88 18.327 -10.097 3.951 1.00 0.00 C ATOM 478 O ASN A 88 18.588 -10.788 4.938 1.00 0.00 O ATOM 479 CB ASN A 88 18.918 -10.628 1.551 1.00 0.00 C ATOM 480 CG ASN A 88 20.105 -11.553 1.795 1.00 0.00 C ATOM 481 OD1 ASN A 88 20.201 -12.256 2.805 1.00 0.00 O ATOM 482 ND2 ASN A 88 20.994 -11.661 0.829 1.00 0.00 N ATOM 0 H ASN A 88 16.723 -9.442 1.468 1.00 0.00 H new ATOM 0 HA ASN A 88 17.671 -11.804 2.828 1.00 0.00 H new ATOM 0 HB2 ASN A 88 18.470 -10.864 0.586 1.00 0.00 H new ATOM 0 HB3 ASN A 88 19.269 -9.598 1.496 1.00 0.00 H new ATOM 0 HD21 ASN A 88 21.763 -12.326 0.915 1.00 0.00 H new ATOM 0 HD22 ASN A 88 20.914 -11.080 -0.005 1.00 0.00 H new ATOM 489 N LYS A 89 18.409 -8.759 3.968 1.00 0.00 N ATOM 490 CA LYS A 89 18.850 -7.967 5.099 1.00 0.00 C ATOM 491 C LYS A 89 17.938 -8.236 6.293 1.00 0.00 C ATOM 492 O LYS A 89 18.443 -8.505 7.382 1.00 0.00 O ATOM 493 CB LYS A 89 18.889 -6.489 4.643 1.00 0.00 C ATOM 494 CG LYS A 89 18.807 -5.472 5.785 1.00 0.00 C ATOM 495 CD LYS A 89 19.971 -5.588 6.783 1.00 0.00 C ATOM 496 CE LYS A 89 19.509 -5.810 8.226 1.00 0.00 C ATOM 497 NZ LYS A 89 20.611 -6.329 9.059 1.00 0.00 N ATOM 0 H LYS A 89 18.159 -8.189 3.160 1.00 0.00 H new ATOM 0 HA LYS A 89 19.853 -8.233 5.434 1.00 0.00 H new ATOM 0 HB2 LYS A 89 19.810 -6.318 4.086 1.00 0.00 H new ATOM 0 HB3 LYS A 89 18.062 -6.312 3.955 1.00 0.00 H new ATOM 0 HG2 LYS A 89 18.794 -4.466 5.367 1.00 0.00 H new ATOM 0 HG3 LYS A 89 17.865 -5.608 6.317 1.00 0.00 H new ATOM 0 HD2 LYS A 89 20.616 -6.414 6.484 1.00 0.00 H new ATOM 0 HD3 LYS A 89 20.573 -4.680 6.737 1.00 0.00 H new ATOM 0 HE2 LYS A 89 19.144 -4.872 8.643 1.00 0.00 H new ATOM 0 HE3 LYS A 89 18.675 -6.512 8.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 20.273 -6.471 10.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 20.942 -7.236 8.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 21.396 -5.646 9.061 1.00 0.00 H new ATOM 511 N ALA A 90 16.625 -8.068 6.094 1.00 0.00 N ATOM 512 CA ALA A 90 15.497 -8.475 6.925 1.00 0.00 C ATOM 513 C ALA A 90 15.865 -8.646 8.400 1.00 0.00 C ATOM 514 O ALA A 90 16.288 -9.726 8.813 1.00 0.00 O ATOM 515 CB ALA A 90 14.841 -9.710 6.316 1.00 0.00 C ATOM 0 H ALA A 90 16.297 -7.591 5.254 1.00 0.00 H new ATOM 0 HA ALA A 90 14.764 -7.668 6.931 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.998 -10.017 6.935 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.488 -9.477 5.311 1.00 0.00 H new ATOM 0 HB3 ALA A 90 15.568 -10.521 6.266 1.00 0.00 H new ATOM 712 N LYS A 105 3.488 -7.649 -5.646 1.00 0.00 N ATOM 713 CA LYS A 105 3.226 -6.229 -5.813 1.00 0.00 C ATOM 714 C LYS A 105 4.254 -5.624 -6.758 1.00 0.00 C ATOM 715 O LYS A 105 5.453 -5.719 -6.493 1.00 0.00 O ATOM 716 CB LYS A 105 3.164 -5.532 -4.442 1.00 0.00 C ATOM 717 CG LYS A 105 1.790 -5.663 -3.744 1.00 0.00 C ATOM 718 CD LYS A 105 1.643 -6.888 -2.830 1.00 0.00 C ATOM 719 CE LYS A 105 0.369 -6.800 -1.979 1.00 0.00 C ATOM 720 NZ LYS A 105 -0.824 -7.368 -2.637 1.00 0.00 N ATOM 0 HA LYS A 105 2.250 -6.078 -6.273 1.00 0.00 H new ATOM 0 HB2 LYS A 105 3.933 -5.953 -3.794 1.00 0.00 H new ATOM 0 HB3 LYS A 105 3.398 -4.475 -4.570 1.00 0.00 H new ATOM 0 HG2 LYS A 105 1.612 -4.764 -3.154 1.00 0.00 H new ATOM 0 HG3 LYS A 105 1.013 -5.702 -4.508 1.00 0.00 H new ATOM 0 HD2 LYS A 105 1.617 -7.794 -3.435 1.00 0.00 H new ATOM 0 HD3 LYS A 105 2.513 -6.965 -2.178 1.00 0.00 H new ATOM 0 HE2 LYS A 105 0.536 -7.321 -1.036 1.00 0.00 H new ATOM 0 HE3 LYS A 105 0.176 -5.755 -1.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -1.646 -7.275 -2.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -1.008 -6.856 -3.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -0.660 -8.374 -2.845 1.00 0.00 H new ATOM 734 N THR A 106 3.807 -5.041 -7.876 1.00 0.00 N ATOM 735 CA THR A 106 4.698 -4.653 -8.973 1.00 0.00 C ATOM 736 C THR A 106 4.874 -3.154 -9.141 1.00 0.00 C ATOM 737 O THR A 106 6.011 -2.744 -9.394 1.00 0.00 O ATOM 738 CB THR A 106 4.351 -5.439 -10.252 1.00 0.00 C ATOM 739 OG1 THR A 106 5.289 -5.172 -11.275 1.00 0.00 O ATOM 740 CG2 THR A 106 2.954 -5.134 -10.789 1.00 0.00 C ATOM 0 H THR A 106 2.824 -4.826 -8.045 1.00 0.00 H new ATOM 0 HA THR A 106 5.710 -4.953 -8.702 1.00 0.00 H new ATOM 0 HB THR A 106 4.381 -6.490 -9.965 1.00 0.00 H new ATOM 0 HG1 THR A 106 5.052 -5.682 -12.078 1.00 0.00 H new ATOM 0 HG21 THR A 106 2.774 -5.721 -11.690 1.00 0.00 H new ATOM 0 HG22 THR A 106 2.210 -5.391 -10.035 1.00 0.00 H new ATOM 0 HG23 THR A 106 2.879 -4.073 -11.026 1.00 0.00 H new ATOM 748 N SER A 107 3.862 -2.323 -8.905 1.00 0.00 N ATOM 749 CA SER A 107 4.118 -0.897 -8.989 1.00 0.00 C ATOM 750 C SER A 107 4.801 -0.448 -7.698 1.00 0.00 C ATOM 751 O SER A 107 4.722 -1.134 -6.674 1.00 0.00 O ATOM 752 CB SER A 107 2.813 -0.130 -9.253 1.00 0.00 C ATOM 753 OG SER A 107 3.015 1.262 -9.357 1.00 0.00 O ATOM 0 H SER A 107 2.908 -2.596 -8.667 1.00 0.00 H new ATOM 0 HA SER A 107 4.781 -0.680 -9.826 1.00 0.00 H new ATOM 0 HB2 SER A 107 2.359 -0.498 -10.173 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.107 -0.332 -8.447 1.00 0.00 H new ATOM 0 HG SER A 107 2.158 1.705 -9.526 1.00 0.00 H new ATOM 759 N GLY A 108 5.442 0.718 -7.725 1.00 0.00 N ATOM 760 CA GLY A 108 5.968 1.352 -6.529 1.00 0.00 C ATOM 761 C GLY A 108 4.870 1.563 -5.491 1.00 0.00 C ATOM 762 O GLY A 108 5.065 1.247 -4.320 1.00 0.00 O ATOM 0 H GLY A 108 5.609 1.247 -8.581 1.00 0.00 H new ATOM 0 HA2 GLY A 108 6.760 0.735 -6.105 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.416 2.311 -6.789 1.00 0.00 H new ATOM 766 N MET A 109 3.685 2.010 -5.918 1.00 0.00 N ATOM 767 CA MET A 109 2.524 2.187 -5.042 1.00 0.00 C ATOM 768 C MET A 109 2.196 0.902 -4.303 1.00 0.00 C ATOM 769 O MET A 109 1.815 0.901 -3.137 1.00 0.00 O ATOM 770 CB MET A 109 1.282 2.562 -5.854 1.00 0.00 C ATOM 771 CG MET A 109 1.565 3.639 -6.882 1.00 0.00 C ATOM 772 SD MET A 109 0.073 4.474 -7.446 1.00 0.00 S ATOM 773 CE MET A 109 -0.612 3.180 -8.510 1.00 0.00 C ATOM 0 H MET A 109 3.504 2.261 -6.890 1.00 0.00 H new ATOM 0 HA MET A 109 2.782 2.979 -4.339 1.00 0.00 H new ATOM 0 HB2 MET A 109 0.900 1.674 -6.358 1.00 0.00 H new ATOM 0 HB3 MET A 109 0.500 2.906 -5.178 1.00 0.00 H new ATOM 0 HG2 MET A 109 2.247 4.373 -6.454 1.00 0.00 H new ATOM 0 HG3 MET A 109 2.072 3.194 -7.738 1.00 0.00 H new ATOM 0 HE1 MET A 109 -1.548 3.527 -8.948 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.097 2.949 -9.305 1.00 0.00 H new ATOM 0 HE3 MET A 109 -0.799 2.284 -7.919 1.00 0.00 H new ATOM 783 N GLU A 110 2.309 -0.208 -5.009 1.00 0.00 N ATOM 784 CA GLU A 110 1.941 -1.490 -4.467 1.00 0.00 C ATOM 785 C GLU A 110 3.008 -1.947 -3.474 1.00 0.00 C ATOM 786 O GLU A 110 2.678 -2.423 -2.390 1.00 0.00 O ATOM 787 CB GLU A 110 1.782 -2.488 -5.625 1.00 0.00 C ATOM 788 CG GLU A 110 0.836 -2.085 -6.762 1.00 0.00 C ATOM 789 CD GLU A 110 -0.636 -2.353 -6.476 1.00 0.00 C ATOM 790 OE1 GLU A 110 -1.066 -2.146 -5.323 1.00 0.00 O ATOM 791 OE2 GLU A 110 -1.353 -2.620 -7.469 1.00 0.00 O ATOM 0 H GLU A 110 2.657 -0.240 -5.967 1.00 0.00 H new ATOM 0 HA GLU A 110 0.993 -1.425 -3.932 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.768 -2.672 -6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 110 1.432 -3.434 -5.212 1.00 0.00 H new ATOM 0 HG2 GLU A 110 0.967 -1.023 -6.969 1.00 0.00 H new ATOM 0 HG3 GLU A 110 1.123 -2.623 -7.666 1.00 0.00 H new ATOM 798 N VAL A 111 4.292 -1.758 -3.801 1.00 0.00 N ATOM 799 CA VAL A 111 5.401 -2.004 -2.881 1.00 0.00 C ATOM 800 C VAL A 111 5.251 -1.118 -1.627 1.00 0.00 C ATOM 801 O VAL A 111 5.704 -1.510 -0.550 1.00 0.00 O ATOM 802 CB VAL A 111 6.750 -1.834 -3.620 1.00 0.00 C ATOM 803 CG1 VAL A 111 7.980 -2.021 -2.719 1.00 0.00 C ATOM 804 CG2 VAL A 111 6.893 -2.881 -4.742 1.00 0.00 C ATOM 0 H VAL A 111 4.589 -1.428 -4.719 1.00 0.00 H new ATOM 0 HA VAL A 111 5.382 -3.034 -2.526 1.00 0.00 H new ATOM 0 HB VAL A 111 6.726 -0.812 -3.997 1.00 0.00 H new ATOM 0 HG11 VAL A 111 8.887 -1.887 -3.309 1.00 0.00 H new ATOM 0 HG12 VAL A 111 7.957 -1.285 -1.915 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.970 -3.024 -2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 111 7.848 -2.743 -5.248 1.00 0.00 H new ATOM 0 HG22 VAL A 111 6.851 -3.882 -4.313 1.00 0.00 H new ATOM 0 HG23 VAL A 111 6.081 -2.759 -5.459 1.00 0.00 H new ATOM 814 N ALA A 112 4.563 0.025 -1.710 1.00 0.00 N ATOM 815 CA ALA A 112 4.269 0.878 -0.569 1.00 0.00 C ATOM 816 C ALA A 112 3.318 0.192 0.419 1.00 0.00 C ATOM 817 O ALA A 112 3.717 -0.098 1.548 1.00 0.00 O ATOM 818 CB ALA A 112 3.712 2.223 -1.046 1.00 0.00 C ATOM 0 H ALA A 112 4.191 0.384 -2.590 1.00 0.00 H new ATOM 0 HA ALA A 112 5.199 1.063 -0.032 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.495 2.854 -0.184 1.00 0.00 H new ATOM 0 HB2 ALA A 112 4.448 2.717 -1.681 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.796 2.057 -1.613 1.00 0.00 H new ATOM 824 N SER A 113 2.071 -0.077 0.014 1.00 0.00 N ATOM 825 CA SER A 113 1.076 -0.711 0.885 1.00 0.00 C ATOM 826 C SER A 113 1.456 -2.149 1.256 1.00 0.00 C ATOM 827 O SER A 113 0.902 -2.703 2.211 1.00 0.00 O ATOM 828 CB SER A 113 -0.304 -0.692 0.218 1.00 0.00 C ATOM 829 OG SER A 113 -0.779 0.635 0.100 1.00 0.00 O ATOM 0 H SER A 113 1.725 0.138 -0.921 1.00 0.00 H new ATOM 0 HA SER A 113 1.045 -0.132 1.808 1.00 0.00 H new ATOM 0 HB2 SER A 113 -0.244 -1.152 -0.768 1.00 0.00 H new ATOM 0 HB3 SER A 113 -1.006 -1.285 0.804 1.00 0.00 H new ATOM 0 HG SER A 113 -0.195 1.238 0.606 1.00 0.00 H new ATOM 835 N TYR A 114 2.385 -2.756 0.517 1.00 0.00 N ATOM 836 CA TYR A 114 3.012 -4.022 0.853 1.00 0.00 C ATOM 837 C TYR A 114 3.935 -3.822 2.047 1.00 0.00 C ATOM 838 O TYR A 114 3.802 -4.516 3.050 1.00 0.00 O ATOM 839 CB TYR A 114 3.778 -4.525 -0.373 1.00 0.00 C ATOM 840 CG TYR A 114 4.811 -5.604 -0.132 1.00 0.00 C ATOM 841 CD1 TYR A 114 4.430 -6.856 0.388 1.00 0.00 C ATOM 842 CD2 TYR A 114 6.162 -5.352 -0.442 1.00 0.00 C ATOM 843 CE1 TYR A 114 5.396 -7.862 0.558 1.00 0.00 C ATOM 844 CE2 TYR A 114 7.126 -6.361 -0.289 1.00 0.00 C ATOM 845 CZ TYR A 114 6.740 -7.627 0.198 1.00 0.00 C ATOM 846 OH TYR A 114 7.657 -8.616 0.339 1.00 0.00 O ATOM 0 H TYR A 114 2.729 -2.362 -0.359 1.00 0.00 H new ATOM 0 HA TYR A 114 2.266 -4.768 1.127 1.00 0.00 H new ATOM 0 HB2 TYR A 114 3.054 -4.902 -1.096 1.00 0.00 H new ATOM 0 HB3 TYR A 114 4.277 -3.673 -0.836 1.00 0.00 H new ATOM 0 HD1 TYR A 114 3.400 -7.042 0.655 1.00 0.00 H new ATOM 0 HD2 TYR A 114 6.458 -4.377 -0.799 1.00 0.00 H new ATOM 0 HE1 TYR A 114 5.109 -8.820 0.966 1.00 0.00 H new ATOM 0 HE2 TYR A 114 8.158 -6.169 -0.543 1.00 0.00 H new ATOM 0 HH TYR A 114 8.534 -8.293 0.046 1.00 0.00 H new ATOM 856 N LEU A 115 4.879 -2.885 1.967 1.00 0.00 N ATOM 857 CA LEU A 115 5.942 -2.802 2.955 1.00 0.00 C ATOM 858 C LEU A 115 5.414 -2.374 4.331 1.00 0.00 C ATOM 859 O LEU A 115 5.874 -2.887 5.351 1.00 0.00 O ATOM 860 CB LEU A 115 7.039 -1.871 2.423 1.00 0.00 C ATOM 861 CG LEU A 115 8.378 -2.037 3.150 1.00 0.00 C ATOM 862 CD1 LEU A 115 8.950 -3.442 2.982 1.00 0.00 C ATOM 863 CD2 LEU A 115 9.386 -1.021 2.597 1.00 0.00 C ATOM 0 H LEU A 115 4.926 -2.179 1.232 1.00 0.00 H new ATOM 0 HA LEU A 115 6.372 -3.791 3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 115 7.184 -2.062 1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.707 -0.837 2.519 1.00 0.00 H new ATOM 0 HG LEU A 115 8.200 -1.868 4.212 1.00 0.00 H new ATOM 0 HD11 LEU A 115 9.899 -3.514 3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 115 8.249 -4.171 3.389 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.111 -3.645 1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.339 -1.137 3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.527 -1.192 1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.008 -0.011 2.755 1.00 0.00 H new ATOM 875 N VAL A 116 4.399 -1.504 4.375 1.00 0.00 N ATOM 876 CA VAL A 116 3.714 -1.136 5.621 1.00 0.00 C ATOM 877 C VAL A 116 2.952 -2.342 6.207 1.00 0.00 C ATOM 878 O VAL A 116 2.695 -2.399 7.410 1.00 0.00 O ATOM 879 CB VAL A 116 2.785 0.077 5.367 1.00 0.00 C ATOM 880 CG1 VAL A 116 2.065 0.582 6.628 1.00 0.00 C ATOM 881 CG2 VAL A 116 3.571 1.268 4.792 1.00 0.00 C ATOM 0 H VAL A 116 4.029 -1.035 3.549 1.00 0.00 H new ATOM 0 HA VAL A 116 4.453 -0.842 6.366 1.00 0.00 H new ATOM 0 HB VAL A 116 2.042 -0.293 4.661 1.00 0.00 H new ATOM 0 HG11 VAL A 116 1.433 1.432 6.370 1.00 0.00 H new ATOM 0 HG12 VAL A 116 1.448 -0.217 7.039 1.00 0.00 H new ATOM 0 HG13 VAL A 116 2.802 0.889 7.370 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.893 2.105 4.624 1.00 0.00 H new ATOM 0 HG22 VAL A 116 4.347 1.566 5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.031 0.978 3.847 1.00 0.00 H new ATOM 891 N ALA A 117 2.597 -3.327 5.381 1.00 0.00 N ATOM 892 CA ALA A 117 1.966 -4.553 5.858 1.00 0.00 C ATOM 893 C ALA A 117 3.025 -5.470 6.458 1.00 0.00 C ATOM 894 O ALA A 117 2.862 -5.961 7.577 1.00 0.00 O ATOM 895 CB ALA A 117 1.190 -5.255 4.742 1.00 0.00 C ATOM 0 H ALA A 117 2.738 -3.296 4.371 1.00 0.00 H new ATOM 0 HA ALA A 117 1.242 -4.296 6.631 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.733 -6.164 5.133 1.00 0.00 H new ATOM 0 HB2 ALA A 117 0.412 -4.591 4.366 1.00 0.00 H new ATOM 0 HB3 ALA A 117 1.871 -5.511 3.931 1.00 0.00 H new ATOM 901 N GLN A 118 4.136 -5.659 5.741 1.00 0.00 N ATOM 902 CA GLN A 118 5.273 -6.445 6.200 1.00 0.00 C ATOM 903 C GLN A 118 5.721 -5.963 7.579 1.00 0.00 C ATOM 904 O GLN A 118 5.879 -6.786 8.478 1.00 0.00 O ATOM 905 CB GLN A 118 6.420 -6.354 5.185 1.00 0.00 C ATOM 906 CG GLN A 118 6.095 -6.993 3.828 1.00 0.00 C ATOM 907 CD GLN A 118 6.005 -8.510 3.919 1.00 0.00 C ATOM 908 OE1 GLN A 118 7.027 -9.190 4.008 1.00 0.00 O ATOM 909 NE2 GLN A 118 4.811 -9.074 3.921 1.00 0.00 N ATOM 0 H GLN A 118 4.268 -5.262 4.811 1.00 0.00 H new ATOM 0 HA GLN A 118 4.976 -7.490 6.285 1.00 0.00 H new ATOM 0 HB2 GLN A 118 6.675 -5.305 5.031 1.00 0.00 H new ATOM 0 HB3 GLN A 118 7.302 -6.839 5.603 1.00 0.00 H new ATOM 0 HG2 GLN A 118 5.150 -6.595 3.457 1.00 0.00 H new ATOM 0 HG3 GLN A 118 6.863 -6.718 3.105 1.00 0.00 H new ATOM 0 HE21 GLN A 118 3.974 -8.496 3.846 1.00 0.00 H new ATOM 0 HE22 GLN A 118 4.726 -10.088 3.997 1.00 0.00 H new ATOM 918 N TYR A 119 5.848 -4.647 7.759 1.00 0.00 N ATOM 919 CA TYR A 119 6.324 -4.038 8.990 1.00 0.00 C ATOM 920 C TYR A 119 5.273 -3.079 9.546 1.00 0.00 C ATOM 921 O TYR A 119 4.550 -3.419 10.480 1.00 0.00 O ATOM 922 CB TYR A 119 7.676 -3.367 8.709 1.00 0.00 C ATOM 923 CG TYR A 119 8.690 -4.332 8.142 1.00 0.00 C ATOM 924 CD1 TYR A 119 9.299 -5.284 8.979 1.00 0.00 C ATOM 925 CD2 TYR A 119 8.951 -4.333 6.760 1.00 0.00 C ATOM 926 CE1 TYR A 119 10.178 -6.236 8.439 1.00 0.00 C ATOM 927 CE2 TYR A 119 9.807 -5.297 6.210 1.00 0.00 C ATOM 928 CZ TYR A 119 10.428 -6.251 7.048 1.00 0.00 C ATOM 929 OH TYR A 119 11.212 -7.224 6.508 1.00 0.00 O ATOM 0 H TYR A 119 5.617 -3.966 7.035 1.00 0.00 H new ATOM 0 HA TYR A 119 6.481 -4.789 9.764 1.00 0.00 H new ATOM 0 HB2 TYR A 119 7.532 -2.543 8.010 1.00 0.00 H new ATOM 0 HB3 TYR A 119 8.064 -2.937 9.632 1.00 0.00 H new ATOM 0 HD1 TYR A 119 9.090 -5.283 10.039 1.00 0.00 H new ATOM 0 HD2 TYR A 119 8.492 -3.591 6.123 1.00 0.00 H new ATOM 0 HE1 TYR A 119 10.662 -6.954 9.084 1.00 0.00 H new ATOM 0 HE2 TYR A 119 9.992 -5.311 5.146 1.00 0.00 H new ATOM 0 HH TYR A 119 11.281 -7.089 5.540 1.00 0.00 H new ATOM 939 N GLY A 120 5.178 -1.896 8.955 1.00 0.00 N ATOM 940 CA GLY A 120 4.549 -0.688 9.464 1.00 0.00 C ATOM 941 C GLY A 120 5.312 0.465 8.815 1.00 0.00 C ATOM 942 O GLY A 120 6.160 0.203 7.967 1.00 0.00 O ATOM 0 H GLY A 120 5.574 -1.746 8.027 1.00 0.00 H new ATOM 0 HA2 GLY A 120 3.491 -0.656 9.204 1.00 0.00 H new ATOM 0 HA3 GLY A 120 4.612 -0.639 10.551 1.00 0.00 H new ATOM 946 N GLU A 121 5.076 1.723 9.184 1.00 0.00 N ATOM 947 CA GLU A 121 5.898 2.832 8.684 1.00 0.00 C ATOM 948 C GLU A 121 7.366 2.604 9.042 1.00 0.00 C ATOM 949 O GLU A 121 8.249 2.835 8.221 1.00 0.00 O ATOM 950 CB GLU A 121 5.467 4.166 9.304 1.00 0.00 C ATOM 951 CG GLU A 121 4.181 4.747 8.724 1.00 0.00 C ATOM 952 CD GLU A 121 3.890 6.139 9.292 1.00 0.00 C ATOM 953 OE1 GLU A 121 3.350 6.212 10.423 1.00 0.00 O ATOM 954 OE2 GLU A 121 4.198 7.157 8.620 1.00 0.00 O ATOM 0 H GLU A 121 4.330 2.002 9.821 1.00 0.00 H new ATOM 0 HA GLU A 121 5.766 2.870 7.603 1.00 0.00 H new ATOM 0 HB2 GLU A 121 5.337 4.028 10.377 1.00 0.00 H new ATOM 0 HB3 GLU A 121 6.270 4.890 9.171 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.264 4.805 7.639 1.00 0.00 H new ATOM 0 HG3 GLU A 121 3.347 4.081 8.945 1.00 0.00 H new ATOM 961 N GLN A 122 7.603 2.159 10.280 1.00 0.00 N ATOM 962 CA GLN A 122 8.913 2.101 10.898 1.00 0.00 C ATOM 963 C GLN A 122 9.827 1.146 10.160 1.00 0.00 C ATOM 964 O GLN A 122 10.666 1.591 9.384 1.00 0.00 O ATOM 965 CB GLN A 122 8.775 1.719 12.378 1.00 0.00 C ATOM 966 CG GLN A 122 8.502 2.960 13.229 1.00 0.00 C ATOM 967 CD GLN A 122 9.753 3.821 13.437 1.00 0.00 C ATOM 968 OE1 GLN A 122 10.735 3.748 12.707 1.00 0.00 O ATOM 969 NE2 GLN A 122 9.803 4.603 14.499 1.00 0.00 N ATOM 0 H GLN A 122 6.859 1.821 10.891 1.00 0.00 H new ATOM 0 HA GLN A 122 9.371 3.088 10.839 1.00 0.00 H new ATOM 0 HB2 GLN A 122 7.964 1.001 12.500 1.00 0.00 H new ATOM 0 HB3 GLN A 122 9.687 1.230 12.720 1.00 0.00 H new ATOM 0 HG2 GLN A 122 7.728 3.560 12.751 1.00 0.00 H new ATOM 0 HG3 GLN A 122 8.112 2.652 14.199 1.00 0.00 H new ATOM 0 HE21 GLN A 122 8.995 4.676 15.117 1.00 0.00 H new ATOM 0 HE22 GLN A 122 10.650 5.135 14.701 1.00 0.00 H new ATOM 978 N ARG A 123 9.703 -0.166 10.385 1.00 0.00 N ATOM 979 CA ARG A 123 10.631 -1.083 9.726 1.00 0.00 C ATOM 980 C ARG A 123 10.376 -1.175 8.221 1.00 0.00 C ATOM 981 O ARG A 123 11.183 -1.810 7.551 1.00 0.00 O ATOM 982 CB ARG A 123 10.647 -2.480 10.381 1.00 0.00 C ATOM 983 CG ARG A 123 11.754 -2.651 11.408 1.00 0.00 C ATOM 984 CD ARG A 123 11.484 -1.822 12.657 1.00 0.00 C ATOM 985 NE ARG A 123 12.587 -1.919 13.620 1.00 0.00 N ATOM 986 CZ ARG A 123 12.620 -1.382 14.843 1.00 0.00 C ATOM 987 NH1 ARG A 123 11.537 -0.856 15.405 1.00 0.00 N ATOM 988 NH2 ARG A 123 13.765 -1.419 15.512 1.00 0.00 N ATOM 0 H ARG A 123 9.004 -0.599 10.989 1.00 0.00 H new ATOM 0 HA ARG A 123 11.625 -0.658 9.863 1.00 0.00 H new ATOM 0 HB2 ARG A 123 9.685 -2.659 10.861 1.00 0.00 H new ATOM 0 HB3 ARG A 123 10.762 -3.236 9.604 1.00 0.00 H new ATOM 0 HG2 ARG A 123 11.842 -3.703 11.679 1.00 0.00 H new ATOM 0 HG3 ARG A 123 12.707 -2.354 10.971 1.00 0.00 H new ATOM 0 HD2 ARG A 123 11.336 -0.779 12.377 1.00 0.00 H new ATOM 0 HD3 ARG A 123 10.560 -2.160 13.126 1.00 0.00 H new ATOM 0 HE ARG A 123 13.409 -2.448 13.327 1.00 0.00 H new ATOM 0 HH11 ARG A 123 10.650 -0.855 14.901 1.00 0.00 H new ATOM 0 HH12 ARG A 123 11.592 -0.453 16.340 1.00 0.00 H new ATOM 0 HH21 ARG A 123 14.588 -1.849 15.090 1.00 0.00 H new ATOM 0 HH22 ARG A 123 13.822 -1.017 16.448 1.00 0.00 H new ATOM 1002 N ALA A 124 9.333 -0.541 7.669 1.00 0.00 N ATOM 1003 CA ALA A 124 9.338 -0.272 6.240 1.00 0.00 C ATOM 1004 C ALA A 124 10.477 0.704 5.954 1.00 0.00 C ATOM 1005 O ALA A 124 11.490 0.319 5.376 1.00 0.00 O ATOM 1006 CB ALA A 124 7.984 0.251 5.724 1.00 0.00 C ATOM 0 H ALA A 124 8.508 -0.218 8.174 1.00 0.00 H new ATOM 0 HA ALA A 124 9.498 -1.205 5.699 1.00 0.00 H new ATOM 0 HB1 ALA A 124 8.049 0.434 4.651 1.00 0.00 H new ATOM 0 HB2 ALA A 124 7.209 -0.490 5.919 1.00 0.00 H new ATOM 0 HB3 ALA A 124 7.734 1.180 6.236 1.00 0.00 H new ATOM 1012 N TRP A 125 10.316 1.969 6.340 1.00 0.00 N ATOM 1013 CA TRP A 125 11.175 3.039 5.863 1.00 0.00 C ATOM 1014 C TRP A 125 12.578 2.963 6.473 1.00 0.00 C ATOM 1015 O TRP A 125 13.565 3.115 5.764 1.00 0.00 O ATOM 1016 CB TRP A 125 10.471 4.380 6.094 1.00 0.00 C ATOM 1017 CG TRP A 125 10.872 5.488 5.172 1.00 0.00 C ATOM 1018 CD1 TRP A 125 11.371 6.683 5.545 1.00 0.00 C ATOM 1019 CD2 TRP A 125 10.781 5.533 3.718 1.00 0.00 C ATOM 1020 NE1 TRP A 125 11.526 7.492 4.436 1.00 0.00 N ATOM 1021 CE2 TRP A 125 11.187 6.827 3.273 1.00 0.00 C ATOM 1022 CE3 TRP A 125 10.381 4.607 2.732 1.00 0.00 C ATOM 1023 CZ2 TRP A 125 11.149 7.193 1.917 1.00 0.00 C ATOM 1024 CZ3 TRP A 125 10.382 4.951 1.371 1.00 0.00 C ATOM 1025 CH2 TRP A 125 10.732 6.246 0.962 1.00 0.00 C ATOM 0 H TRP A 125 9.590 2.274 6.988 1.00 0.00 H new ATOM 0 HA TRP A 125 11.340 2.930 4.791 1.00 0.00 H new ATOM 0 HB2 TRP A 125 9.396 4.226 6.002 1.00 0.00 H new ATOM 0 HB3 TRP A 125 10.661 4.698 7.119 1.00 0.00 H new ATOM 0 HD1 TRP A 125 11.613 6.966 6.559 1.00 0.00 H new ATOM 0 HE1 TRP A 125 11.850 8.459 4.471 1.00 0.00 H new ATOM 0 HE3 TRP A 125 10.069 3.617 3.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 11.436 8.188 1.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 10.111 4.212 0.632 1.00 0.00 H new ATOM 0 HH2 TRP A 125 10.682 6.516 -0.082 1.00 0.00 H new ATOM 1036 N ASP A 126 12.700 2.649 7.760 1.00 0.00 N ATOM 1037 CA ASP A 126 13.986 2.530 8.449 1.00 0.00 C ATOM 1038 C ASP A 126 14.879 1.477 7.774 1.00 0.00 C ATOM 1039 O ASP A 126 16.080 1.691 7.604 1.00 0.00 O ATOM 1040 CB ASP A 126 13.749 2.162 9.923 1.00 0.00 C ATOM 1041 CG ASP A 126 14.921 2.571 10.822 1.00 0.00 C ATOM 1042 OD1 ASP A 126 14.989 3.738 11.275 1.00 0.00 O ATOM 1043 OD2 ASP A 126 15.735 1.680 11.151 1.00 0.00 O ATOM 0 H ASP A 126 11.898 2.467 8.364 1.00 0.00 H new ATOM 0 HA ASP A 126 14.500 3.490 8.394 1.00 0.00 H new ATOM 0 HB2 ASP A 126 12.838 2.647 10.274 1.00 0.00 H new ATOM 0 HB3 ASP A 126 13.589 1.087 10.005 1.00 0.00 H new ATOM 1048 N LEU A 127 14.292 0.348 7.353 1.00 0.00 N ATOM 1049 CA LEU A 127 14.971 -0.730 6.634 1.00 0.00 C ATOM 1050 C LEU A 127 15.166 -0.318 5.166 1.00 0.00 C ATOM 1051 O LEU A 127 16.201 -0.602 4.569 1.00 0.00 O ATOM 1052 CB LEU A 127 14.115 -2.006 6.785 1.00 0.00 C ATOM 1053 CG LEU A 127 14.791 -3.378 6.583 1.00 0.00 C ATOM 1054 CD1 LEU A 127 13.756 -4.487 6.855 1.00 0.00 C ATOM 1055 CD2 LEU A 127 15.367 -3.551 5.180 1.00 0.00 C ATOM 0 H LEU A 127 13.302 0.158 7.510 1.00 0.00 H new ATOM 0 HA LEU A 127 15.963 -0.928 7.041 1.00 0.00 H new ATOM 0 HB2 LEU A 127 13.679 -1.996 7.784 1.00 0.00 H new ATOM 0 HB3 LEU A 127 13.290 -1.936 6.077 1.00 0.00 H new ATOM 0 HG LEU A 127 15.626 -3.442 7.280 1.00 0.00 H new ATOM 0 HD11 LEU A 127 14.222 -5.462 6.715 1.00 0.00 H new ATOM 0 HD12 LEU A 127 13.392 -4.402 7.879 1.00 0.00 H new ATOM 0 HD13 LEU A 127 12.920 -4.382 6.163 1.00 0.00 H new ATOM 0 HD21 LEU A 127 15.830 -4.534 5.095 1.00 0.00 H new ATOM 0 HD22 LEU A 127 14.567 -3.462 4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 127 16.116 -2.780 4.997 1.00 0.00 H new ATOM 1067 N ALA A 128 14.212 0.395 4.564 1.00 0.00 N ATOM 1068 CA ALA A 128 14.311 0.932 3.209 1.00 0.00 C ATOM 1069 C ALA A 128 15.553 1.814 3.042 1.00 0.00 C ATOM 1070 O ALA A 128 16.298 1.678 2.073 1.00 0.00 O ATOM 1071 CB ALA A 128 13.044 1.731 2.895 1.00 0.00 C ATOM 0 H ALA A 128 13.327 0.620 5.019 1.00 0.00 H new ATOM 0 HA ALA A 128 14.408 0.101 2.511 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.110 2.135 1.885 1.00 0.00 H new ATOM 0 HB2 ALA A 128 12.174 1.078 2.968 1.00 0.00 H new ATOM 0 HB3 ALA A 128 12.944 2.550 3.608 1.00 0.00 H new ATOM 1077 N LEU A 129 15.796 2.689 4.016 1.00 0.00 N ATOM 1078 CA LEU A 129 16.933 3.601 4.075 1.00 0.00 C ATOM 1079 C LEU A 129 18.267 2.866 4.258 1.00 0.00 C ATOM 1080 O LEU A 129 19.317 3.397 3.897 1.00 0.00 O ATOM 1081 CB LEU A 129 16.655 4.613 5.200 1.00 0.00 C ATOM 1082 CG LEU A 129 15.794 5.781 4.666 1.00 0.00 C ATOM 1083 CD1 LEU A 129 14.746 6.241 5.676 1.00 0.00 C ATOM 1084 CD2 LEU A 129 16.692 6.954 4.279 1.00 0.00 C ATOM 0 H LEU A 129 15.177 2.785 4.821 1.00 0.00 H new ATOM 0 HA LEU A 129 17.039 4.125 3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 129 16.140 4.119 6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 129 17.596 4.996 5.595 1.00 0.00 H new ATOM 0 HG LEU A 129 15.260 5.415 3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 129 14.168 7.063 5.252 1.00 0.00 H new ATOM 0 HD12 LEU A 129 14.079 5.412 5.911 1.00 0.00 H new ATOM 0 HD13 LEU A 129 15.241 6.578 6.587 1.00 0.00 H new ATOM 0 HD21 LEU A 129 16.079 7.773 3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 129 17.250 7.289 5.153 1.00 0.00 H new ATOM 0 HD23 LEU A 129 17.389 6.638 3.503 1.00 0.00 H new ATOM 1096 N HIS A 130 18.238 1.628 4.754 1.00 0.00 N ATOM 1097 CA HIS A 130 19.348 0.688 4.608 1.00 0.00 C ATOM 1098 C HIS A 130 19.394 0.115 3.191 1.00 0.00 C ATOM 1099 O HIS A 130 20.465 0.018 2.611 1.00 0.00 O ATOM 1100 CB HIS A 130 19.289 -0.448 5.645 1.00 0.00 C ATOM 1101 CG HIS A 130 20.342 -1.506 5.407 1.00 0.00 C ATOM 1102 ND1 HIS A 130 21.507 -1.661 6.121 1.00 0.00 N ATOM 1103 CD2 HIS A 130 20.372 -2.400 4.365 1.00 0.00 C ATOM 1104 CE1 HIS A 130 22.221 -2.627 5.528 1.00 0.00 C ATOM 1105 NE2 HIS A 130 21.581 -3.106 4.452 1.00 0.00 N ATOM 0 H HIS A 130 17.443 1.249 5.269 1.00 0.00 H new ATOM 0 HA HIS A 130 20.265 1.249 4.791 1.00 0.00 H new ATOM 0 HB2 HIS A 130 19.418 -0.031 6.644 1.00 0.00 H new ATOM 0 HB3 HIS A 130 18.302 -0.910 5.617 1.00 0.00 H new ATOM 0 HD2 HIS A 130 19.606 -2.535 3.616 1.00 0.00 H new ATOM 0 HE1 HIS A 130 23.184 -2.974 5.871 1.00 0.00 H new ATOM 0 HE2 HIS A 130 21.908 -3.838 3.822 1.00 0.00 H new ATOM 1113 N THR A 131 18.279 -0.341 2.629 1.00 0.00 N ATOM 1114 CA THR A 131 18.276 -1.115 1.383 1.00 0.00 C ATOM 1115 C THR A 131 18.851 -0.290 0.207 1.00 0.00 C ATOM 1116 O THR A 131 19.435 -0.825 -0.736 1.00 0.00 O ATOM 1117 CB THR A 131 16.838 -1.589 1.130 1.00 0.00 C ATOM 1118 OG1 THR A 131 16.232 -2.186 2.268 1.00 0.00 O ATOM 1119 CG2 THR A 131 16.714 -2.581 -0.023 1.00 0.00 C ATOM 0 H THR A 131 17.350 -0.187 3.021 1.00 0.00 H new ATOM 0 HA THR A 131 18.927 -1.985 1.470 1.00 0.00 H new ATOM 0 HB THR A 131 16.318 -0.666 0.875 1.00 0.00 H new ATOM 0 HG1 THR A 131 16.124 -1.513 2.972 1.00 0.00 H new ATOM 0 HG21 THR A 131 15.670 -2.871 -0.143 1.00 0.00 H new ATOM 0 HG22 THR A 131 17.069 -2.116 -0.943 1.00 0.00 H new ATOM 0 HG23 THR A 131 17.314 -3.465 0.192 1.00 0.00 H new ATOM 1127 N TRP A 132 18.769 1.039 0.280 1.00 0.00 N ATOM 1128 CA TRP A 132 19.411 1.924 -0.695 1.00 0.00 C ATOM 1129 C TRP A 132 20.927 2.038 -0.478 1.00 0.00 C ATOM 1130 O TRP A 132 21.643 2.375 -1.426 1.00 0.00 O ATOM 1131 CB TRP A 132 18.770 3.313 -0.656 1.00 0.00 C ATOM 1132 CG TRP A 132 17.410 3.464 -1.268 1.00 0.00 C ATOM 1133 CD1 TRP A 132 16.988 2.939 -2.443 1.00 0.00 C ATOM 1134 CD2 TRP A 132 16.294 4.252 -0.761 1.00 0.00 C ATOM 1135 NE1 TRP A 132 15.676 3.311 -2.670 1.00 0.00 N ATOM 1136 CE2 TRP A 132 15.212 4.150 -1.682 1.00 0.00 C ATOM 1137 CE3 TRP A 132 16.106 5.077 0.367 1.00 0.00 C ATOM 1138 CZ2 TRP A 132 14.009 4.848 -1.505 1.00 0.00 C ATOM 1139 CZ3 TRP A 132 14.908 5.789 0.555 1.00 0.00 C ATOM 1140 CH2 TRP A 132 13.871 5.689 -0.388 1.00 0.00 C ATOM 0 H TRP A 132 18.258 1.531 1.013 1.00 0.00 H new ATOM 0 HA TRP A 132 19.257 1.478 -1.678 1.00 0.00 H new ATOM 0 HB2 TRP A 132 18.707 3.625 0.386 1.00 0.00 H new ATOM 0 HB3 TRP A 132 19.443 4.009 -1.157 1.00 0.00 H new ATOM 0 HD1 TRP A 132 17.584 2.325 -3.101 1.00 0.00 H new ATOM 0 HE1 TRP A 132 15.122 3.003 -3.469 1.00 0.00 H new ATOM 0 HE3 TRP A 132 16.895 5.164 1.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 13.202 4.741 -2.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 14.785 6.415 1.427 1.00 0.00 H new ATOM 0 HH2 TRP A 132 12.965 6.261 -0.254 1.00 0.00 H new ATOM 1151 N GLU A 133 21.432 1.738 0.720 1.00 0.00 N ATOM 1152 CA GLU A 133 22.848 1.555 1.007 1.00 0.00 C ATOM 1153 C GLU A 133 23.364 0.327 0.247 1.00 0.00 C ATOM 1154 O GLU A 133 24.468 0.381 -0.289 1.00 0.00 O ATOM 1155 CB GLU A 133 23.106 1.532 2.534 1.00 0.00 C ATOM 1156 CG GLU A 133 23.518 0.207 3.210 1.00 0.00 C ATOM 1157 CD GLU A 133 25.019 -0.098 3.157 1.00 0.00 C ATOM 1158 OE1 GLU A 133 25.836 0.774 3.540 1.00 0.00 O ATOM 1159 OE2 GLU A 133 25.401 -1.265 2.919 1.00 0.00 O ATOM 0 H GLU A 133 20.842 1.612 1.543 1.00 0.00 H new ATOM 0 HA GLU A 133 23.426 2.405 0.646 1.00 0.00 H new ATOM 0 HB2 GLU A 133 23.885 2.264 2.746 1.00 0.00 H new ATOM 0 HB3 GLU A 133 22.198 1.882 3.025 1.00 0.00 H new ATOM 0 HG2 GLU A 133 23.203 0.233 4.253 1.00 0.00 H new ATOM 0 HG3 GLU A 133 22.978 -0.611 2.734 1.00 0.00 H new ATOM 1166 N GLN A 134 22.548 -0.727 0.120 1.00 0.00 N ATOM 1167 CA GLN A 134 22.889 -1.917 -0.652 1.00 0.00 C ATOM 1168 C GLN A 134 22.994 -1.551 -2.138 1.00 0.00 C ATOM 1169 O GLN A 134 24.069 -1.696 -2.718 1.00 0.00 O ATOM 1170 CB GLN A 134 21.894 -3.066 -0.397 1.00 0.00 C ATOM 1171 CG GLN A 134 21.804 -3.454 1.087 1.00 0.00 C ATOM 1172 CD GLN A 134 20.789 -4.569 1.332 1.00 0.00 C ATOM 1173 OE1 GLN A 134 19.647 -4.313 1.703 1.00 0.00 O ATOM 1174 NE2 GLN A 134 21.166 -5.817 1.110 1.00 0.00 N ATOM 0 H GLN A 134 21.627 -0.773 0.555 1.00 0.00 H new ATOM 0 HA GLN A 134 23.860 -2.287 -0.324 1.00 0.00 H new ATOM 0 HB2 GLN A 134 20.906 -2.771 -0.752 1.00 0.00 H new ATOM 0 HB3 GLN A 134 22.195 -3.937 -0.979 1.00 0.00 H new ATOM 0 HG2 GLN A 134 22.785 -3.775 1.437 1.00 0.00 H new ATOM 0 HG3 GLN A 134 21.527 -2.578 1.674 1.00 0.00 H new ATOM 0 HE21 GLN A 134 22.118 -6.015 0.802 1.00 0.00 H new ATOM 0 HE22 GLN A 134 20.505 -6.581 1.247 1.00 0.00 H new ATOM 1183 N MET A 135 21.922 -1.040 -2.762 1.00 0.00 N ATOM 1184 CA MET A 135 21.956 -0.696 -4.185 1.00 0.00 C ATOM 1185 C MET A 135 22.991 0.392 -4.498 1.00 0.00 C ATOM 1186 O MET A 135 23.770 0.239 -5.438 1.00 0.00 O ATOM 1187 CB MET A 135 20.561 -0.283 -4.666 1.00 0.00 C ATOM 1188 CG MET A 135 19.704 -1.493 -5.048 1.00 0.00 C ATOM 1189 SD MET A 135 17.931 -1.361 -4.715 1.00 0.00 S ATOM 1190 CE MET A 135 17.512 0.111 -5.677 1.00 0.00 C ATOM 0 H MET A 135 21.029 -0.858 -2.305 1.00 0.00 H new ATOM 0 HA MET A 135 22.266 -1.588 -4.729 1.00 0.00 H new ATOM 0 HB2 MET A 135 20.060 0.283 -3.881 1.00 0.00 H new ATOM 0 HB3 MET A 135 20.656 0.380 -5.526 1.00 0.00 H new ATOM 0 HG2 MET A 135 19.838 -1.684 -6.113 1.00 0.00 H new ATOM 0 HG3 MET A 135 20.087 -2.364 -4.517 1.00 0.00 H new ATOM 0 HE1 MET A 135 16.595 -0.070 -6.238 1.00 0.00 H new ATOM 0 HE2 MET A 135 17.365 0.956 -5.004 1.00 0.00 H new ATOM 0 HE3 MET A 135 18.323 0.336 -6.370 1.00 0.00 H new ATOM 1200 N GLY A 136 23.021 1.486 -3.736 1.00 0.00 N ATOM 1201 CA GLY A 136 23.816 2.665 -4.066 1.00 0.00 C ATOM 1202 C GLY A 136 22.948 3.810 -4.569 1.00 0.00 C ATOM 1203 O GLY A 136 23.321 4.475 -5.533 1.00 0.00 O ATOM 0 H GLY A 136 22.491 1.578 -2.869 1.00 0.00 H new ATOM 0 HA2 GLY A 136 24.369 2.989 -3.184 1.00 0.00 H new ATOM 0 HA3 GLY A 136 24.552 2.406 -4.827 1.00 0.00 H new ATOM 1207 N LEU A 137 21.791 4.055 -3.947 1.00 0.00 N ATOM 1208 CA LEU A 137 20.956 5.214 -4.253 1.00 0.00 C ATOM 1209 C LEU A 137 21.130 6.232 -3.142 1.00 0.00 C ATOM 1210 O LEU A 137 20.215 6.500 -2.360 1.00 0.00 O ATOM 1211 CB LEU A 137 19.483 4.833 -4.495 1.00 0.00 C ATOM 1212 CG LEU A 137 19.149 4.184 -5.852 1.00 0.00 C ATOM 1213 CD1 LEU A 137 19.656 4.994 -7.044 1.00 0.00 C ATOM 1214 CD2 LEU A 137 19.690 2.765 -5.964 1.00 0.00 C ATOM 0 H LEU A 137 21.409 3.453 -3.217 1.00 0.00 H new ATOM 0 HA LEU A 137 21.280 5.657 -5.195 1.00 0.00 H new ATOM 0 HB2 LEU A 137 19.175 4.148 -3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 137 18.877 5.733 -4.390 1.00 0.00 H new ATOM 0 HG LEU A 137 18.060 4.160 -5.884 1.00 0.00 H new ATOM 0 HD11 LEU A 137 19.389 4.484 -7.970 1.00 0.00 H new ATOM 0 HD12 LEU A 137 19.201 5.984 -7.031 1.00 0.00 H new ATOM 0 HD13 LEU A 137 20.740 5.092 -6.983 1.00 0.00 H new ATOM 0 HD21 LEU A 137 19.428 2.352 -6.938 1.00 0.00 H new ATOM 0 HD22 LEU A 137 20.774 2.779 -5.855 1.00 0.00 H new ATOM 0 HD23 LEU A 137 19.255 2.147 -5.179 1.00 0.00 H new ATOM 1226 N ARG A 138 22.312 6.848 -3.099 1.00 0.00 N ATOM 1227 CA ARG A 138 22.572 7.935 -2.164 1.00 0.00 C ATOM 1228 C ARG A 138 21.616 9.093 -2.409 1.00 0.00 C ATOM 1229 O ARG A 138 21.230 9.754 -1.455 1.00 0.00 O ATOM 1230 CB ARG A 138 24.028 8.407 -2.275 1.00 0.00 C ATOM 1231 CG ARG A 138 24.746 8.511 -0.919 1.00 0.00 C ATOM 1232 CD ARG A 138 26.250 8.207 -1.032 1.00 0.00 C ATOM 1233 NE ARG A 138 26.881 8.876 -2.182 1.00 0.00 N ATOM 1234 CZ ARG A 138 28.187 9.056 -2.391 1.00 0.00 C ATOM 1235 NH1 ARG A 138 29.094 8.634 -1.521 1.00 0.00 N ATOM 1236 NH2 ARG A 138 28.589 9.698 -3.479 1.00 0.00 N ATOM 0 H ARG A 138 23.101 6.611 -3.701 1.00 0.00 H new ATOM 0 HA ARG A 138 22.408 7.562 -1.153 1.00 0.00 H new ATOM 0 HB2 ARG A 138 24.577 7.717 -2.916 1.00 0.00 H new ATOM 0 HB3 ARG A 138 24.049 9.381 -2.764 1.00 0.00 H new ATOM 0 HG2 ARG A 138 24.609 9.514 -0.514 1.00 0.00 H new ATOM 0 HG3 ARG A 138 24.289 7.817 -0.214 1.00 0.00 H new ATOM 0 HD2 ARG A 138 26.750 8.521 -0.116 1.00 0.00 H new ATOM 0 HD3 ARG A 138 26.393 7.130 -1.120 1.00 0.00 H new ATOM 0 HE ARG A 138 26.252 9.242 -2.897 1.00 0.00 H new ATOM 0 HH11 ARG A 138 28.800 8.159 -0.668 1.00 0.00 H new ATOM 0 HH12 ARG A 138 30.086 8.784 -1.705 1.00 0.00 H new ATOM 0 HH21 ARG A 138 27.903 10.049 -4.147 1.00 0.00 H new ATOM 0 HH22 ARG A 138 29.585 9.841 -3.648 1.00 0.00 H new ATOM 1250 N SER A 139 21.207 9.319 -3.662 1.00 0.00 N ATOM 1251 CA SER A 139 20.223 10.336 -3.992 1.00 0.00 C ATOM 1252 C SER A 139 18.927 10.098 -3.221 1.00 0.00 C ATOM 1253 O SER A 139 18.383 11.042 -2.667 1.00 0.00 O ATOM 1254 CB SER A 139 19.976 10.388 -5.506 1.00 0.00 C ATOM 1255 OG SER A 139 21.206 10.509 -6.211 1.00 0.00 O ATOM 0 H SER A 139 21.552 8.799 -4.469 1.00 0.00 H new ATOM 0 HA SER A 139 20.616 11.307 -3.692 1.00 0.00 H new ATOM 0 HB2 SER A 139 19.455 9.486 -5.826 1.00 0.00 H new ATOM 0 HB3 SER A 139 19.329 11.232 -5.745 1.00 0.00 H new ATOM 0 HG SER A 139 21.029 10.539 -7.174 1.00 0.00 H new ATOM 1261 N LEU A 140 18.467 8.850 -3.112 1.00 0.00 N ATOM 1262 CA LEU A 140 17.201 8.531 -2.463 1.00 0.00 C ATOM 1263 C LEU A 140 17.343 8.722 -0.965 1.00 0.00 C ATOM 1264 O LEU A 140 16.526 9.392 -0.344 1.00 0.00 O ATOM 1265 CB LEU A 140 16.804 7.079 -2.738 1.00 0.00 C ATOM 1266 CG LEU A 140 16.022 6.830 -4.046 1.00 0.00 C ATOM 1267 CD1 LEU A 140 14.638 7.492 -3.984 1.00 0.00 C ATOM 1268 CD2 LEU A 140 16.722 7.241 -5.349 1.00 0.00 C ATOM 0 H LEU A 140 18.964 8.035 -3.472 1.00 0.00 H new ATOM 0 HA LEU A 140 16.431 9.193 -2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 140 17.709 6.473 -2.758 1.00 0.00 H new ATOM 0 HB3 LEU A 140 16.200 6.723 -1.903 1.00 0.00 H new ATOM 0 HG LEU A 140 15.945 5.744 -4.095 1.00 0.00 H new ATOM 0 HD11 LEU A 140 14.103 7.305 -4.915 1.00 0.00 H new ATOM 0 HD12 LEU A 140 14.072 7.075 -3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 140 14.755 8.566 -3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 140 16.074 7.017 -6.196 1.00 0.00 H new ATOM 0 HD22 LEU A 140 16.934 8.310 -5.327 1.00 0.00 H new ATOM 0 HD23 LEU A 140 17.656 6.688 -5.450 1.00 0.00 H new ATOM 1280 N CYS A 141 18.404 8.160 -0.388 1.00 0.00 N ATOM 1281 CA CYS A 141 18.777 8.352 1.004 1.00 0.00 C ATOM 1282 C CYS A 141 18.940 9.836 1.368 1.00 0.00 C ATOM 1283 O CYS A 141 18.772 10.197 2.537 1.00 0.00 O ATOM 1284 CB CYS A 141 20.093 7.606 1.209 1.00 0.00 C ATOM 1285 SG CYS A 141 19.795 5.842 1.480 1.00 0.00 S ATOM 0 H CYS A 141 19.041 7.544 -0.892 1.00 0.00 H new ATOM 0 HA CYS A 141 17.989 7.970 1.653 1.00 0.00 H new ATOM 0 HB2 CYS A 141 20.733 7.742 0.337 1.00 0.00 H new ATOM 0 HB3 CYS A 141 20.625 8.025 2.063 1.00 0.00 H new ATOM 0 HG CYS A 141 20.930 5.231 1.649 1.00 0.00 H new ATOM 1291 N ALA A 142 19.291 10.688 0.401 1.00 0.00 N ATOM 1292 CA ALA A 142 19.324 12.133 0.530 1.00 0.00 C ATOM 1293 C ALA A 142 17.895 12.682 0.472 1.00 0.00 C ATOM 1294 O ALA A 142 17.434 13.243 1.457 1.00 0.00 O ATOM 1295 CB ALA A 142 20.256 12.730 -0.535 1.00 0.00 C ATOM 0 H ALA A 142 19.570 10.369 -0.527 1.00 0.00 H new ATOM 0 HA ALA A 142 19.735 12.426 1.496 1.00 0.00 H new ATOM 0 HB1 ALA A 142 20.277 13.815 -0.433 1.00 0.00 H new ATOM 0 HB2 ALA A 142 21.263 12.334 -0.401 1.00 0.00 H new ATOM 0 HB3 ALA A 142 19.891 12.466 -1.527 1.00 0.00 H new ATOM 1301 N GLN A 143 17.169 12.489 -0.633 1.00 0.00 N ATOM 1302 CA GLN A 143 15.801 12.957 -0.881 1.00 0.00 C ATOM 1303 C GLN A 143 14.857 12.612 0.282 1.00 0.00 C ATOM 1304 O GLN A 143 14.062 13.451 0.715 1.00 0.00 O ATOM 1305 CB GLN A 143 15.297 12.351 -2.209 1.00 0.00 C ATOM 1306 CG GLN A 143 15.934 13.022 -3.440 1.00 0.00 C ATOM 1307 CD GLN A 143 15.862 12.180 -4.720 1.00 0.00 C ATOM 1308 OE1 GLN A 143 16.432 11.097 -4.800 1.00 0.00 O ATOM 1309 NE2 GLN A 143 15.244 12.688 -5.774 1.00 0.00 N ATOM 0 H GLN A 143 17.543 11.970 -1.427 1.00 0.00 H new ATOM 0 HA GLN A 143 15.810 14.044 -0.957 1.00 0.00 H new ATOM 0 HB2 GLN A 143 15.518 11.284 -2.225 1.00 0.00 H new ATOM 0 HB3 GLN A 143 14.213 12.453 -2.263 1.00 0.00 H new ATOM 0 HG2 GLN A 143 15.438 13.976 -3.617 1.00 0.00 H new ATOM 0 HG3 GLN A 143 16.979 13.242 -3.221 1.00 0.00 H new ATOM 0 HE21 GLN A 143 14.771 13.589 -5.703 1.00 0.00 H new ATOM 0 HE22 GLN A 143 15.240 12.179 -6.658 1.00 0.00 H new ATOM 1318 N ALA A 144 14.976 11.397 0.823 1.00 0.00 N ATOM 1319 CA ALA A 144 14.227 10.880 1.962 1.00 0.00 C ATOM 1320 C ALA A 144 14.419 11.704 3.237 1.00 0.00 C ATOM 1321 O ALA A 144 13.581 11.615 4.130 1.00 0.00 O ATOM 1322 CB ALA A 144 14.639 9.427 2.197 1.00 0.00 C ATOM 0 H ALA A 144 15.636 10.712 0.454 1.00 0.00 H new ATOM 0 HA ALA A 144 13.166 10.947 1.722 1.00 0.00 H new ATOM 0 HB1 ALA A 144 14.087 9.025 3.047 1.00 0.00 H new ATOM 0 HB2 ALA A 144 14.416 8.837 1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 144 15.708 9.381 2.404 1.00 0.00 H new ATOM 1328 N GLN A 145 15.488 12.498 3.331 1.00 0.00 N ATOM 1329 CA GLN A 145 15.897 13.226 4.525 1.00 0.00 C ATOM 1330 C GLN A 145 16.105 14.723 4.251 1.00 0.00 C ATOM 1331 O GLN A 145 16.281 15.495 5.187 1.00 0.00 O ATOM 1332 CB GLN A 145 17.176 12.605 5.086 1.00 0.00 C ATOM 1333 CG GLN A 145 16.909 11.204 5.646 1.00 0.00 C ATOM 1334 CD GLN A 145 18.178 10.659 6.270 1.00 0.00 C ATOM 1335 OE1 GLN A 145 18.469 10.917 7.436 1.00 0.00 O ATOM 1336 NE2 GLN A 145 18.972 9.957 5.487 1.00 0.00 N ATOM 0 H GLN A 145 16.115 12.655 2.542 1.00 0.00 H new ATOM 0 HA GLN A 145 15.094 13.146 5.258 1.00 0.00 H new ATOM 0 HB2 GLN A 145 17.931 12.549 4.302 1.00 0.00 H new ATOM 0 HB3 GLN A 145 17.580 13.243 5.872 1.00 0.00 H new ATOM 0 HG2 GLN A 145 16.113 11.244 6.390 1.00 0.00 H new ATOM 0 HG3 GLN A 145 16.569 10.541 4.850 1.00 0.00 H new ATOM 0 HE21 GLN A 145 18.697 9.763 4.524 1.00 0.00 H new ATOM 0 HE22 GLN A 145 19.862 9.608 5.844 1.00 0.00 H new