USER MOD reduce.3.24.130724 H: found=0, std=0, add=354, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 353 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 184 HIS : no HD1:sc= -0.877 K(o=0.26,f=-0.73) USER MOD Set 1.2: A 188 THR OG1 : rot -76:sc= 1.14 USER MOD Set 1.3: A 189 MET CE :methyl -131:sc= 0 (180deg=-0.0935) USER MOD Set 2.1: A 177 THR OG1 : rot -114:sc= 0.685 USER MOD Set 2.2: A 179 ASN :FLIP amide:sc= -0.0914 F(o=-0.22,f=0.59) USER MOD Set 3.1: A 159 HIS : no HE2:sc= -0.502 K(o=0.34,f=-4.9!) USER MOD Set 3.2: A 164 ASN : amide:sc= 0.841 K(o=0.34,f=-0.27) USER MOD Single : A 148 THR OG1 : rot 180:sc= -0.0159 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= 0.951 K(o=0.95,f=-4.8!) USER MOD Single : A 160 LYS NZ :NH3+ -173:sc= 0.141 (180deg=0.0589) USER MOD Single : A 171 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 ASN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 186 ASN : amide:sc= 0.0502 X(o=0.05,f=-0.013) USER MOD Single : A 187 SER OG : rot 95:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 120 N TRP A 147 12.781 -9.443 -11.902 1.00 0.00 N ATOM 121 CA TRP A 147 13.859 -8.988 -12.769 1.00 0.00 C ATOM 122 C TRP A 147 13.421 -9.116 -14.229 1.00 0.00 C ATOM 123 O TRP A 147 12.302 -9.552 -14.510 1.00 0.00 O ATOM 124 CB TRP A 147 15.118 -9.814 -12.484 1.00 0.00 C ATOM 125 CG TRP A 147 15.854 -9.408 -11.244 1.00 0.00 C ATOM 126 CD1 TRP A 147 15.367 -9.453 -9.990 1.00 0.00 C ATOM 127 CD2 TRP A 147 17.210 -8.882 -11.109 1.00 0.00 C ATOM 128 NE1 TRP A 147 16.294 -9.005 -9.085 1.00 0.00 N ATOM 129 CE2 TRP A 147 17.463 -8.634 -9.722 1.00 0.00 C ATOM 130 CE3 TRP A 147 18.261 -8.590 -12.011 1.00 0.00 C ATOM 131 CZ2 TRP A 147 18.676 -8.124 -9.261 1.00 0.00 C ATOM 132 CZ3 TRP A 147 19.490 -8.072 -11.544 1.00 0.00 C ATOM 133 CH2 TRP A 147 19.693 -7.840 -10.176 1.00 0.00 C ATOM 0 HA TRP A 147 14.089 -7.940 -12.575 1.00 0.00 H new ATOM 0 HB2 TRP A 147 14.838 -10.864 -12.399 1.00 0.00 H new ATOM 0 HB3 TRP A 147 15.793 -9.732 -13.336 1.00 0.00 H new ATOM 0 HD1 TRP A 147 14.376 -9.797 -9.731 1.00 0.00 H new ATOM 0 HE1 TRP A 147 16.142 -8.953 -8.078 1.00 0.00 H new ATOM 0 HE3 TRP A 147 18.122 -8.765 -13.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 18.828 -7.950 -8.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 20.280 -7.853 -12.247 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.635 -7.442 -9.830 1.00 0.00 H new ATOM 144 N THR A 148 14.301 -8.732 -15.161 1.00 0.00 N ATOM 145 CA THR A 148 14.000 -8.793 -16.581 1.00 0.00 C ATOM 146 C THR A 148 15.270 -9.111 -17.370 1.00 0.00 C ATOM 147 O THR A 148 16.380 -8.867 -16.896 1.00 0.00 O ATOM 148 CB THR A 148 13.385 -7.454 -17.029 1.00 0.00 C ATOM 149 OG1 THR A 148 13.202 -7.462 -18.429 1.00 0.00 O ATOM 150 CG2 THR A 148 14.302 -6.291 -16.640 1.00 0.00 C ATOM 0 H THR A 148 15.232 -8.374 -14.947 1.00 0.00 H new ATOM 0 HA THR A 148 13.279 -9.587 -16.773 1.00 0.00 H new ATOM 0 HB THR A 148 12.422 -7.326 -16.534 1.00 0.00 H new ATOM 0 HG1 THR A 148 12.809 -6.610 -18.712 1.00 0.00 H new ATOM 0 HG21 THR A 148 13.854 -5.351 -16.963 1.00 0.00 H new ATOM 0 HG22 THR A 148 14.433 -6.277 -15.558 1.00 0.00 H new ATOM 0 HG23 THR A 148 15.272 -6.415 -17.122 1.00 0.00 H new ATOM 158 N GLU A 149 15.095 -9.660 -18.580 1.00 0.00 N ATOM 159 CA GLU A 149 16.207 -10.024 -19.450 1.00 0.00 C ATOM 160 C GLU A 149 17.125 -8.827 -19.677 1.00 0.00 C ATOM 161 O GLU A 149 18.333 -8.997 -19.844 1.00 0.00 O ATOM 162 CB GLU A 149 15.665 -10.557 -20.778 1.00 0.00 C ATOM 163 CG GLU A 149 14.759 -9.521 -21.456 1.00 0.00 C ATOM 164 CD GLU A 149 14.134 -10.100 -22.716 1.00 0.00 C ATOM 165 OE1 GLU A 149 13.065 -10.732 -22.582 1.00 0.00 O ATOM 166 OE2 GLU A 149 14.742 -9.899 -23.792 1.00 0.00 O ATOM 0 H GLU A 149 14.177 -9.862 -18.977 1.00 0.00 H new ATOM 0 HA GLU A 149 16.795 -10.807 -18.971 1.00 0.00 H new ATOM 0 HB2 GLU A 149 16.494 -10.808 -21.439 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.106 -11.476 -20.604 1.00 0.00 H new ATOM 0 HG2 GLU A 149 13.976 -9.208 -20.766 1.00 0.00 H new ATOM 0 HG3 GLU A 149 15.338 -8.632 -21.706 1.00 0.00 H new ATOM 173 N GLU A 150 16.552 -7.619 -19.677 1.00 0.00 N ATOM 174 CA GLU A 150 17.318 -6.394 -19.862 1.00 0.00 C ATOM 175 C GLU A 150 18.465 -6.347 -18.849 1.00 0.00 C ATOM 176 O GLU A 150 19.577 -5.953 -19.189 1.00 0.00 O ATOM 177 CB GLU A 150 16.405 -5.169 -19.691 1.00 0.00 C ATOM 178 CG GLU A 150 15.210 -5.241 -20.653 1.00 0.00 C ATOM 179 CD GLU A 150 15.668 -5.336 -22.102 1.00 0.00 C ATOM 180 OE1 GLU A 150 16.539 -4.525 -22.481 1.00 0.00 O ATOM 181 OE2 GLU A 150 15.141 -6.225 -22.807 1.00 0.00 O ATOM 0 H GLU A 150 15.551 -7.469 -19.549 1.00 0.00 H new ATOM 0 HA GLU A 150 17.733 -6.379 -20.870 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.047 -5.117 -18.663 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.973 -4.258 -19.877 1.00 0.00 H new ATOM 0 HG2 GLU A 150 14.595 -6.106 -20.407 1.00 0.00 H new ATOM 0 HG3 GLU A 150 14.584 -4.358 -20.525 1.00 0.00 H new ATOM 188 N GLU A 151 18.186 -6.752 -17.602 1.00 0.00 N ATOM 189 CA GLU A 151 19.184 -6.747 -16.548 1.00 0.00 C ATOM 190 C GLU A 151 20.033 -8.014 -16.626 1.00 0.00 C ATOM 191 O GLU A 151 21.253 -7.925 -16.662 1.00 0.00 O ATOM 192 CB GLU A 151 18.492 -6.650 -15.185 1.00 0.00 C ATOM 193 CG GLU A 151 17.870 -5.263 -15.013 1.00 0.00 C ATOM 194 CD GLU A 151 17.297 -5.095 -13.610 1.00 0.00 C ATOM 195 OE1 GLU A 151 16.138 -5.515 -13.416 1.00 0.00 O ATOM 196 OE2 GLU A 151 18.031 -4.548 -12.756 1.00 0.00 O ATOM 0 H GLU A 151 17.269 -7.087 -17.308 1.00 0.00 H new ATOM 0 HA GLU A 151 19.838 -5.884 -16.674 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.721 -7.416 -15.104 1.00 0.00 H new ATOM 0 HB3 GLU A 151 19.212 -6.836 -14.388 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.623 -4.497 -15.197 1.00 0.00 H new ATOM 0 HG3 GLU A 151 17.082 -5.119 -15.752 1.00 0.00 H new ATOM 203 N ASP A 152 19.382 -9.187 -16.636 1.00 0.00 N ATOM 204 CA ASP A 152 20.074 -10.478 -16.653 1.00 0.00 C ATOM 205 C ASP A 152 21.176 -10.516 -17.720 1.00 0.00 C ATOM 206 O ASP A 152 22.286 -10.968 -17.439 1.00 0.00 O ATOM 207 CB ASP A 152 19.059 -11.601 -16.900 1.00 0.00 C ATOM 208 CG ASP A 152 18.195 -11.857 -15.666 1.00 0.00 C ATOM 209 OD1 ASP A 152 17.607 -10.874 -15.164 1.00 0.00 O ATOM 210 OD2 ASP A 152 18.137 -13.036 -15.251 1.00 0.00 O ATOM 0 H ASP A 152 18.365 -9.264 -16.633 1.00 0.00 H new ATOM 0 HA ASP A 152 20.551 -10.621 -15.684 1.00 0.00 H new ATOM 0 HB2 ASP A 152 18.421 -11.337 -17.744 1.00 0.00 H new ATOM 0 HB3 ASP A 152 19.586 -12.515 -17.173 1.00 0.00 H new ATOM 215 N ARG A 153 20.876 -10.051 -18.942 1.00 0.00 N ATOM 216 CA ARG A 153 21.857 -10.055 -20.027 1.00 0.00 C ATOM 217 C ARG A 153 23.135 -9.347 -19.579 1.00 0.00 C ATOM 218 O ARG A 153 24.221 -9.931 -19.597 1.00 0.00 O ATOM 219 CB ARG A 153 21.278 -9.350 -21.260 1.00 0.00 C ATOM 220 CG ARG A 153 20.463 -10.334 -22.105 1.00 0.00 C ATOM 221 CD ARG A 153 20.246 -9.741 -23.501 1.00 0.00 C ATOM 222 NE ARG A 153 19.495 -8.477 -23.430 1.00 0.00 N ATOM 223 CZ ARG A 153 18.152 -8.408 -23.473 1.00 0.00 C ATOM 224 NH1 ARG A 153 17.418 -9.525 -23.549 1.00 0.00 N ATOM 225 NH2 ARG A 153 17.549 -7.218 -23.441 1.00 0.00 N ATOM 0 H ARG A 153 19.965 -9.670 -19.199 1.00 0.00 H new ATOM 0 HA ARG A 153 22.093 -11.087 -20.285 1.00 0.00 H new ATOM 0 HB2 ARG A 153 20.646 -8.519 -20.948 1.00 0.00 H new ATOM 0 HB3 ARG A 153 22.086 -8.929 -21.859 1.00 0.00 H new ATOM 0 HG2 ARG A 153 20.986 -11.288 -22.179 1.00 0.00 H new ATOM 0 HG3 ARG A 153 19.503 -10.533 -21.628 1.00 0.00 H new ATOM 0 HD2 ARG A 153 21.210 -9.568 -23.980 1.00 0.00 H new ATOM 0 HD3 ARG A 153 19.705 -10.455 -24.122 1.00 0.00 H new ATOM 0 HE ARG A 153 20.021 -7.607 -23.344 1.00 0.00 H new ATOM 0 HH11 ARG A 153 17.877 -10.436 -23.575 1.00 0.00 H new ATOM 0 HH12 ARG A 153 16.400 -9.465 -23.581 1.00 0.00 H new ATOM 0 HH21 ARG A 153 18.106 -6.365 -23.384 1.00 0.00 H new ATOM 0 HH22 ARG A 153 16.531 -7.161 -23.473 1.00 0.00 H new ATOM 239 N ILE A 154 22.996 -8.078 -19.184 1.00 0.00 N ATOM 240 CA ILE A 154 24.120 -7.267 -18.742 1.00 0.00 C ATOM 241 C ILE A 154 24.771 -7.899 -17.517 1.00 0.00 C ATOM 242 O ILE A 154 25.985 -7.863 -17.375 1.00 0.00 O ATOM 243 CB ILE A 154 23.612 -5.840 -18.436 1.00 0.00 C ATOM 244 CG1 ILE A 154 23.720 -4.981 -19.697 1.00 0.00 C ATOM 245 CG2 ILE A 154 24.451 -5.193 -17.325 1.00 0.00 C ATOM 246 CD1 ILE A 154 22.799 -5.519 -20.796 1.00 0.00 C ATOM 0 H ILE A 154 22.100 -7.590 -19.164 1.00 0.00 H new ATOM 0 HA ILE A 154 24.876 -7.212 -19.525 1.00 0.00 H new ATOM 0 HB ILE A 154 22.574 -5.905 -18.108 1.00 0.00 H new ATOM 0 HG12 ILE A 154 23.454 -3.950 -19.465 1.00 0.00 H new ATOM 0 HG13 ILE A 154 24.751 -4.973 -20.051 1.00 0.00 H new ATOM 0 HG21 ILE A 154 24.077 -4.189 -17.125 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.380 -5.794 -16.419 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.492 -5.136 -17.642 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.890 -4.895 -21.685 1.00 0.00 H new ATOM 0 HD12 ILE A 154 23.084 -6.542 -21.041 1.00 0.00 H new ATOM 0 HD13 ILE A 154 21.767 -5.503 -20.446 1.00 0.00 H new ATOM 258 N LEU A 155 23.957 -8.470 -16.637 1.00 0.00 N ATOM 259 CA LEU A 155 24.436 -9.084 -15.410 1.00 0.00 C ATOM 260 C LEU A 155 25.468 -10.167 -15.721 1.00 0.00 C ATOM 261 O LEU A 155 26.538 -10.178 -15.129 1.00 0.00 O ATOM 262 CB LEU A 155 23.240 -9.668 -14.636 1.00 0.00 C ATOM 263 CG LEU A 155 23.590 -9.893 -13.155 1.00 0.00 C ATOM 264 CD1 LEU A 155 24.001 -8.568 -12.505 1.00 0.00 C ATOM 265 CD2 LEU A 155 22.361 -10.447 -12.435 1.00 0.00 C ATOM 0 H LEU A 155 22.945 -8.519 -16.757 1.00 0.00 H new ATOM 0 HA LEU A 155 24.924 -8.330 -14.792 1.00 0.00 H new ATOM 0 HB2 LEU A 155 22.389 -8.991 -14.712 1.00 0.00 H new ATOM 0 HB3 LEU A 155 22.937 -10.613 -15.088 1.00 0.00 H new ATOM 0 HG LEU A 155 24.419 -10.597 -13.082 1.00 0.00 H new ATOM 0 HD11 LEU A 155 24.247 -8.738 -11.457 1.00 0.00 H new ATOM 0 HD12 LEU A 155 24.872 -8.164 -13.021 1.00 0.00 H new ATOM 0 HD13 LEU A 155 23.177 -7.858 -12.574 1.00 0.00 H new ATOM 0 HD21 LEU A 155 22.598 -10.610 -11.384 1.00 0.00 H new ATOM 0 HD22 LEU A 155 21.540 -9.734 -12.515 1.00 0.00 H new ATOM 0 HD23 LEU A 155 22.067 -11.392 -12.892 1.00 0.00 H new ATOM 277 N TYR A 156 25.145 -11.080 -16.645 1.00 0.00 N ATOM 278 CA TYR A 156 26.041 -12.182 -16.986 1.00 0.00 C ATOM 279 C TYR A 156 27.313 -11.661 -17.661 1.00 0.00 C ATOM 280 O TYR A 156 28.414 -12.109 -17.336 1.00 0.00 O ATOM 281 CB TYR A 156 25.298 -13.184 -17.884 1.00 0.00 C ATOM 282 CG TYR A 156 25.622 -14.639 -17.594 1.00 0.00 C ATOM 283 CD1 TYR A 156 26.957 -15.087 -17.579 1.00 0.00 C ATOM 284 CD2 TYR A 156 24.578 -15.548 -17.334 1.00 0.00 C ATOM 285 CE1 TYR A 156 27.245 -16.432 -17.301 1.00 0.00 C ATOM 286 CE2 TYR A 156 24.869 -16.894 -17.056 1.00 0.00 C ATOM 287 CZ TYR A 156 26.201 -17.336 -17.039 1.00 0.00 C ATOM 288 OH TYR A 156 26.483 -18.644 -16.767 1.00 0.00 O ATOM 0 H TYR A 156 24.269 -11.074 -17.168 1.00 0.00 H new ATOM 0 HA TYR A 156 26.348 -12.693 -16.073 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.225 -13.032 -17.768 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.540 -12.970 -18.925 1.00 0.00 H new ATOM 0 HD1 TYR A 156 27.760 -14.394 -17.782 1.00 0.00 H new ATOM 0 HD2 TYR A 156 23.552 -15.210 -17.348 1.00 0.00 H new ATOM 0 HE1 TYR A 156 28.270 -16.773 -17.288 1.00 0.00 H new ATOM 0 HE2 TYR A 156 24.067 -17.589 -16.855 1.00 0.00 H new ATOM 0 HH TYR A 156 25.648 -19.132 -16.608 1.00 0.00 H new ATOM 298 N GLN A 157 27.176 -10.720 -18.597 1.00 0.00 N ATOM 299 CA GLN A 157 28.330 -10.158 -19.284 1.00 0.00 C ATOM 300 C GLN A 157 29.244 -9.473 -18.265 1.00 0.00 C ATOM 301 O GLN A 157 30.450 -9.731 -18.231 1.00 0.00 O ATOM 302 CB GLN A 157 27.858 -9.167 -20.350 1.00 0.00 C ATOM 303 CG GLN A 157 29.038 -8.771 -21.244 1.00 0.00 C ATOM 304 CD GLN A 157 28.695 -7.560 -22.100 1.00 0.00 C ATOM 305 OE1 GLN A 157 29.314 -6.508 -21.963 1.00 0.00 O ATOM 306 NE2 GLN A 157 27.709 -7.708 -22.985 1.00 0.00 N ATOM 0 H GLN A 157 26.279 -10.335 -18.893 1.00 0.00 H new ATOM 0 HA GLN A 157 28.893 -10.951 -19.777 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.067 -9.615 -20.952 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.435 -8.281 -19.876 1.00 0.00 H new ATOM 0 HG2 GLN A 157 29.908 -8.549 -20.626 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.309 -9.609 -21.886 1.00 0.00 H new ATOM 0 HE21 GLN A 157 27.223 -8.602 -23.063 1.00 0.00 H new ATOM 0 HE22 GLN A 157 27.440 -6.928 -23.584 1.00 0.00 H new ATOM 315 N ALA A 158 28.658 -8.603 -17.439 1.00 0.00 N ATOM 316 CA ALA A 158 29.385 -7.868 -16.423 1.00 0.00 C ATOM 317 C ALA A 158 30.039 -8.823 -15.439 1.00 0.00 C ATOM 318 O ALA A 158 31.177 -8.614 -15.049 1.00 0.00 O ATOM 319 CB ALA A 158 28.419 -6.950 -15.679 1.00 0.00 C ATOM 0 H ALA A 158 27.660 -8.394 -17.463 1.00 0.00 H new ATOM 0 HA ALA A 158 30.164 -7.277 -16.904 1.00 0.00 H new ATOM 0 HB1 ALA A 158 28.961 -6.395 -14.914 1.00 0.00 H new ATOM 0 HB2 ALA A 158 27.967 -6.251 -16.382 1.00 0.00 H new ATOM 0 HB3 ALA A 158 27.638 -7.548 -15.209 1.00 0.00 H new ATOM 325 N HIS A 159 29.309 -9.866 -15.029 1.00 0.00 N ATOM 326 CA HIS A 159 29.812 -10.820 -14.060 1.00 0.00 C ATOM 327 C HIS A 159 31.177 -11.343 -14.480 1.00 0.00 C ATOM 328 O HIS A 159 32.107 -11.329 -13.693 1.00 0.00 O ATOM 329 CB HIS A 159 28.827 -11.977 -13.902 1.00 0.00 C ATOM 330 CG HIS A 159 29.195 -12.857 -12.748 1.00 0.00 C ATOM 331 ND1 HIS A 159 29.490 -14.209 -12.885 1.00 0.00 N ATOM 332 CD2 HIS A 159 29.337 -12.598 -11.416 1.00 0.00 C ATOM 333 CE1 HIS A 159 29.779 -14.667 -11.650 1.00 0.00 C ATOM 334 NE2 HIS A 159 29.705 -13.731 -10.704 1.00 0.00 N ATOM 0 H HIS A 159 28.365 -10.063 -15.361 1.00 0.00 H new ATOM 0 HA HIS A 159 29.919 -10.314 -13.100 1.00 0.00 H new ATOM 0 HB2 HIS A 159 27.822 -11.583 -13.754 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.807 -12.567 -14.819 1.00 0.00 H new ATOM 0 HD1 HIS A 159 29.488 -14.749 -13.750 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.182 -11.627 -10.969 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.045 -15.694 -11.447 1.00 0.00 H new ATOM 342 N LYS A 160 31.293 -11.807 -15.722 1.00 0.00 N ATOM 343 CA LYS A 160 32.541 -12.363 -16.211 1.00 0.00 C ATOM 344 C LYS A 160 33.590 -11.264 -16.361 1.00 0.00 C ATOM 345 O LYS A 160 34.731 -11.437 -15.941 1.00 0.00 O ATOM 346 CB LYS A 160 32.292 -13.057 -17.554 1.00 0.00 C ATOM 347 CG LYS A 160 31.290 -14.204 -17.371 1.00 0.00 C ATOM 348 CD LYS A 160 31.257 -15.088 -18.629 1.00 0.00 C ATOM 349 CE LYS A 160 30.841 -14.270 -19.861 1.00 0.00 C ATOM 350 NZ LYS A 160 29.516 -13.649 -19.676 1.00 0.00 N ATOM 0 H LYS A 160 30.535 -11.807 -16.404 1.00 0.00 H new ATOM 0 HA LYS A 160 32.918 -13.093 -15.495 1.00 0.00 H new ATOM 0 HB2 LYS A 160 31.908 -12.339 -18.279 1.00 0.00 H new ATOM 0 HB3 LYS A 160 33.230 -13.442 -17.954 1.00 0.00 H new ATOM 0 HG2 LYS A 160 31.567 -14.803 -16.504 1.00 0.00 H new ATOM 0 HG3 LYS A 160 30.296 -13.801 -17.175 1.00 0.00 H new ATOM 0 HD2 LYS A 160 32.240 -15.529 -18.795 1.00 0.00 H new ATOM 0 HD3 LYS A 160 30.559 -15.912 -18.482 1.00 0.00 H new ATOM 0 HE2 LYS A 160 31.583 -13.495 -20.052 1.00 0.00 H new ATOM 0 HE3 LYS A 160 30.822 -14.916 -20.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 29.214 -13.204 -20.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 28.827 -14.377 -19.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 29.572 -12.927 -18.930 1.00 0.00 H new ATOM 364 N ARG A 161 33.201 -10.135 -16.967 1.00 0.00 N ATOM 365 CA ARG A 161 34.114 -9.021 -17.203 1.00 0.00 C ATOM 366 C ARG A 161 34.760 -8.558 -15.888 1.00 0.00 C ATOM 367 O ARG A 161 35.968 -8.339 -15.835 1.00 0.00 O ATOM 368 CB ARG A 161 33.336 -7.873 -17.863 1.00 0.00 C ATOM 369 CG ARG A 161 34.313 -6.860 -18.473 1.00 0.00 C ATOM 370 CD ARG A 161 33.637 -5.490 -18.594 1.00 0.00 C ATOM 371 NE ARG A 161 32.411 -5.564 -19.402 1.00 0.00 N ATOM 372 CZ ARG A 161 31.517 -4.558 -19.466 1.00 0.00 C ATOM 373 NH1 ARG A 161 31.714 -3.434 -18.763 1.00 0.00 N ATOM 374 NH2 ARG A 161 30.425 -4.679 -20.232 1.00 0.00 N ATOM 0 H ARG A 161 32.252 -9.973 -17.303 1.00 0.00 H new ATOM 0 HA ARG A 161 34.917 -9.343 -17.866 1.00 0.00 H new ATOM 0 HB2 ARG A 161 32.677 -8.267 -18.637 1.00 0.00 H new ATOM 0 HB3 ARG A 161 32.702 -7.381 -17.125 1.00 0.00 H new ATOM 0 HG2 ARG A 161 35.204 -6.781 -17.851 1.00 0.00 H new ATOM 0 HG3 ARG A 161 34.639 -7.202 -19.455 1.00 0.00 H new ATOM 0 HD2 ARG A 161 33.397 -5.113 -17.600 1.00 0.00 H new ATOM 0 HD3 ARG A 161 34.330 -4.780 -19.046 1.00 0.00 H new ATOM 0 HE ARG A 161 32.229 -6.413 -19.937 1.00 0.00 H new ATOM 0 HH11 ARG A 161 32.543 -3.338 -18.177 1.00 0.00 H new ATOM 0 HH12 ARG A 161 31.035 -2.675 -18.814 1.00 0.00 H new ATOM 0 HH21 ARG A 161 30.270 -5.533 -20.767 1.00 0.00 H new ATOM 0 HH22 ARG A 161 29.749 -3.917 -20.280 1.00 0.00 H new ATOM 388 N LEU A 162 33.948 -8.403 -14.834 1.00 0.00 N ATOM 389 CA LEU A 162 34.420 -7.933 -13.535 1.00 0.00 C ATOM 390 C LEU A 162 34.761 -9.118 -12.620 1.00 0.00 C ATOM 391 O LEU A 162 35.149 -8.911 -11.469 1.00 0.00 O ATOM 392 CB LEU A 162 33.322 -7.071 -12.881 1.00 0.00 C ATOM 393 CG LEU A 162 33.311 -5.626 -13.427 1.00 0.00 C ATOM 394 CD1 LEU A 162 34.647 -4.928 -13.140 1.00 0.00 C ATOM 395 CD2 LEU A 162 33.037 -5.618 -14.932 1.00 0.00 C ATOM 0 H LEU A 162 32.948 -8.601 -14.863 1.00 0.00 H new ATOM 0 HA LEU A 162 35.323 -7.340 -13.680 1.00 0.00 H new ATOM 0 HB2 LEU A 162 32.349 -7.531 -13.056 1.00 0.00 H new ATOM 0 HB3 LEU A 162 33.475 -7.049 -11.802 1.00 0.00 H new ATOM 0 HG LEU A 162 32.513 -5.083 -12.921 1.00 0.00 H new ATOM 0 HD11 LEU A 162 34.618 -3.912 -13.533 1.00 0.00 H new ATOM 0 HD12 LEU A 162 34.817 -4.897 -12.064 1.00 0.00 H new ATOM 0 HD13 LEU A 162 35.456 -5.479 -13.619 1.00 0.00 H new ATOM 0 HD21 LEU A 162 33.034 -4.590 -15.296 1.00 0.00 H new ATOM 0 HD22 LEU A 162 33.815 -6.183 -15.446 1.00 0.00 H new ATOM 0 HD23 LEU A 162 32.067 -6.075 -15.128 1.00 0.00 H new ATOM 407 N GLY A 163 34.610 -10.354 -13.117 1.00 0.00 N ATOM 408 CA GLY A 163 34.881 -11.546 -12.327 1.00 0.00 C ATOM 409 C GLY A 163 33.767 -11.760 -11.302 1.00 0.00 C ATOM 410 O GLY A 163 32.918 -12.635 -11.473 1.00 0.00 O ATOM 0 H GLY A 163 34.299 -10.546 -14.069 1.00 0.00 H new ATOM 0 HA2 GLY A 163 34.957 -12.415 -12.980 1.00 0.00 H new ATOM 0 HA3 GLY A 163 35.840 -11.445 -11.818 1.00 0.00 H new ATOM 414 N ASN A 164 33.775 -10.954 -10.234 1.00 0.00 N ATOM 415 CA ASN A 164 32.758 -11.032 -9.194 1.00 0.00 C ATOM 416 C ASN A 164 32.740 -9.735 -8.372 1.00 0.00 C ATOM 417 O ASN A 164 32.260 -9.723 -7.240 1.00 0.00 O ATOM 418 CB ASN A 164 33.041 -12.254 -8.312 1.00 0.00 C ATOM 419 CG ASN A 164 31.827 -12.622 -7.465 1.00 0.00 C ATOM 420 OD1 ASN A 164 31.827 -12.429 -6.252 1.00 0.00 O ATOM 421 ND2 ASN A 164 30.789 -13.158 -8.106 1.00 0.00 N ATOM 0 H ASN A 164 34.483 -10.237 -10.072 1.00 0.00 H new ATOM 0 HA ASN A 164 31.771 -11.147 -9.643 1.00 0.00 H new ATOM 0 HB2 ASN A 164 33.319 -13.101 -8.939 1.00 0.00 H new ATOM 0 HB3 ASN A 164 33.891 -12.046 -7.662 1.00 0.00 H new ATOM 0 HD21 ASN A 164 29.952 -13.425 -7.588 1.00 0.00 H new ATOM 0 HD22 ASN A 164 30.831 -13.301 -9.115 1.00 0.00 H new ATOM 428 N ARG A 165 33.261 -8.633 -8.946 1.00 0.00 N ATOM 429 CA ARG A 165 33.285 -7.346 -8.262 1.00 0.00 C ATOM 430 C ARG A 165 31.910 -6.693 -8.391 1.00 0.00 C ATOM 431 O ARG A 165 31.729 -5.746 -9.158 1.00 0.00 O ATOM 432 CB ARG A 165 34.387 -6.463 -8.862 1.00 0.00 C ATOM 433 CG ARG A 165 35.757 -7.116 -8.626 1.00 0.00 C ATOM 434 CD ARG A 165 36.840 -6.347 -9.391 1.00 0.00 C ATOM 435 NE ARG A 165 37.000 -4.984 -8.869 1.00 0.00 N ATOM 436 CZ ARG A 165 37.675 -4.692 -7.743 1.00 0.00 C ATOM 437 NH1 ARG A 165 38.222 -5.667 -7.005 1.00 0.00 N ATOM 438 NH2 ARG A 165 37.797 -3.417 -7.363 1.00 0.00 N ATOM 0 H ARG A 165 33.668 -8.619 -9.881 1.00 0.00 H new ATOM 0 HA ARG A 165 33.507 -7.481 -7.203 1.00 0.00 H new ATOM 0 HB2 ARG A 165 34.217 -6.327 -9.930 1.00 0.00 H new ATOM 0 HB3 ARG A 165 34.362 -5.473 -8.407 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.988 -7.123 -7.561 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.736 -8.155 -8.954 1.00 0.00 H new ATOM 0 HD2 ARG A 165 37.788 -6.880 -9.317 1.00 0.00 H new ATOM 0 HD3 ARG A 165 36.580 -6.305 -10.449 1.00 0.00 H new ATOM 0 HE ARG A 165 36.576 -4.216 -9.389 1.00 0.00 H new ATOM 0 HH11 ARG A 165 38.128 -6.640 -7.296 1.00 0.00 H new ATOM 0 HH12 ARG A 165 38.732 -5.436 -6.152 1.00 0.00 H new ATOM 0 HH21 ARG A 165 37.380 -2.675 -7.925 1.00 0.00 H new ATOM 0 HH22 ARG A 165 38.307 -3.185 -6.511 1.00 0.00 H new ATOM 452 N TRP A 166 30.945 -7.223 -7.633 1.00 0.00 N ATOM 453 CA TRP A 166 29.568 -6.750 -7.652 1.00 0.00 C ATOM 454 C TRP A 166 29.490 -5.238 -7.426 1.00 0.00 C ATOM 455 O TRP A 166 28.612 -4.582 -7.984 1.00 0.00 O ATOM 456 CB TRP A 166 28.778 -7.514 -6.597 1.00 0.00 C ATOM 457 CG TRP A 166 28.625 -8.976 -6.894 1.00 0.00 C ATOM 458 CD1 TRP A 166 29.119 -9.980 -6.155 1.00 0.00 C ATOM 459 CD2 TRP A 166 27.944 -9.622 -8.014 1.00 0.00 C ATOM 460 NE1 TRP A 166 28.791 -11.198 -6.694 1.00 0.00 N ATOM 461 CE2 TRP A 166 28.056 -11.039 -7.854 1.00 0.00 C ATOM 462 CE3 TRP A 166 27.240 -9.163 -9.152 1.00 0.00 C ATOM 463 CZ2 TRP A 166 27.493 -11.944 -8.758 1.00 0.00 C ATOM 464 CZ3 TRP A 166 26.677 -10.077 -10.072 1.00 0.00 C ATOM 465 CH2 TRP A 166 26.798 -11.460 -9.869 1.00 0.00 C ATOM 0 H TRP A 166 31.104 -7.996 -6.987 1.00 0.00 H new ATOM 0 HA TRP A 166 29.135 -6.936 -8.635 1.00 0.00 H new ATOM 0 HB2 TRP A 166 29.273 -7.399 -5.633 1.00 0.00 H new ATOM 0 HB3 TRP A 166 27.788 -7.067 -6.503 1.00 0.00 H new ATOM 0 HD1 TRP A 166 29.699 -9.847 -5.254 1.00 0.00 H new ATOM 0 HE1 TRP A 166 29.054 -12.099 -6.293 1.00 0.00 H new ATOM 0 HE3 TRP A 166 27.131 -8.102 -9.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 27.594 -13.007 -8.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.149 -9.707 -10.939 1.00 0.00 H new ATOM 0 HH2 TRP A 166 26.354 -12.150 -10.571 1.00 0.00 H new ATOM 476 N ALA A 167 30.407 -4.687 -6.624 1.00 0.00 N ATOM 477 CA ALA A 167 30.438 -3.257 -6.351 1.00 0.00 C ATOM 478 C ALA A 167 30.528 -2.468 -7.662 1.00 0.00 C ATOM 479 O ALA A 167 29.830 -1.468 -7.835 1.00 0.00 O ATOM 480 CB ALA A 167 31.633 -2.943 -5.452 1.00 0.00 C ATOM 0 H ALA A 167 31.139 -5.218 -6.153 1.00 0.00 H new ATOM 0 HA ALA A 167 29.520 -2.964 -5.842 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.661 -1.873 -5.244 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.538 -3.492 -4.515 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.554 -3.239 -5.954 1.00 0.00 H new ATOM 486 N GLU A 168 31.392 -2.917 -8.583 1.00 0.00 N ATOM 487 CA GLU A 168 31.581 -2.246 -9.862 1.00 0.00 C ATOM 488 C GLU A 168 30.478 -2.645 -10.841 1.00 0.00 C ATOM 489 O GLU A 168 30.009 -1.813 -11.609 1.00 0.00 O ATOM 490 CB GLU A 168 32.957 -2.604 -10.428 1.00 0.00 C ATOM 491 CG GLU A 168 34.050 -1.948 -9.577 1.00 0.00 C ATOM 492 CD GLU A 168 35.432 -2.204 -10.164 1.00 0.00 C ATOM 493 OE1 GLU A 168 35.529 -2.232 -11.408 1.00 0.00 O ATOM 494 OE2 GLU A 168 36.368 -2.369 -9.354 1.00 0.00 O ATOM 0 H GLU A 168 31.971 -3.748 -8.458 1.00 0.00 H new ATOM 0 HA GLU A 168 31.527 -1.168 -9.712 1.00 0.00 H new ATOM 0 HB2 GLU A 168 33.088 -3.686 -10.435 1.00 0.00 H new ATOM 0 HB3 GLU A 168 33.035 -2.267 -11.462 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.871 -0.875 -9.515 1.00 0.00 H new ATOM 0 HG3 GLU A 168 34.006 -2.338 -8.560 1.00 0.00 H new ATOM 501 N ILE A 169 30.064 -3.916 -10.816 1.00 0.00 N ATOM 502 CA ILE A 169 29.020 -4.399 -11.714 1.00 0.00 C ATOM 503 C ILE A 169 27.745 -3.573 -11.525 1.00 0.00 C ATOM 504 O ILE A 169 27.130 -3.149 -12.503 1.00 0.00 O ATOM 505 CB ILE A 169 28.752 -5.888 -11.442 1.00 0.00 C ATOM 506 CG1 ILE A 169 29.956 -6.717 -11.920 1.00 0.00 C ATOM 507 CG2 ILE A 169 27.482 -6.326 -12.189 1.00 0.00 C ATOM 508 CD1 ILE A 169 29.879 -8.146 -11.373 1.00 0.00 C ATOM 0 H ILE A 169 30.437 -4.624 -10.184 1.00 0.00 H new ATOM 0 HA ILE A 169 29.349 -4.288 -12.747 1.00 0.00 H new ATOM 0 HB ILE A 169 28.608 -6.047 -10.373 1.00 0.00 H new ATOM 0 HG12 ILE A 169 29.979 -6.740 -13.010 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.882 -6.246 -11.591 1.00 0.00 H new ATOM 0 HG21 ILE A 169 27.292 -7.382 -11.996 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.634 -5.736 -11.842 1.00 0.00 H new ATOM 0 HG23 ILE A 169 27.618 -6.172 -13.259 1.00 0.00 H new ATOM 0 HD11 ILE A 169 30.740 -8.716 -11.723 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.880 -8.119 -10.283 1.00 0.00 H new ATOM 0 HD13 ILE A 169 28.963 -8.621 -11.723 1.00 0.00 H new ATOM 520 N ALA A 170 27.344 -3.348 -10.267 1.00 0.00 N ATOM 521 CA ALA A 170 26.126 -2.610 -9.972 1.00 0.00 C ATOM 522 C ALA A 170 26.239 -1.148 -10.394 1.00 0.00 C ATOM 523 O ALA A 170 25.226 -0.464 -10.490 1.00 0.00 O ATOM 524 CB ALA A 170 25.802 -2.710 -8.489 1.00 0.00 C ATOM 0 H ALA A 170 27.851 -3.670 -9.442 1.00 0.00 H new ATOM 0 HA ALA A 170 25.315 -3.057 -10.547 1.00 0.00 H new ATOM 0 HB1 ALA A 170 24.888 -2.154 -8.278 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.661 -3.756 -8.217 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.624 -2.291 -7.908 1.00 0.00 H new ATOM 530 N LYS A 171 27.458 -0.661 -10.657 1.00 0.00 N ATOM 531 CA LYS A 171 27.647 0.710 -11.103 1.00 0.00 C ATOM 532 C LYS A 171 26.894 0.919 -12.422 1.00 0.00 C ATOM 533 O LYS A 171 26.445 2.026 -12.714 1.00 0.00 O ATOM 534 CB LYS A 171 29.146 0.994 -11.275 1.00 0.00 C ATOM 535 CG LYS A 171 29.410 2.505 -11.252 1.00 0.00 C ATOM 536 CD LYS A 171 29.493 2.997 -9.802 1.00 0.00 C ATOM 537 CE LYS A 171 29.764 4.503 -9.788 1.00 0.00 C ATOM 538 NZ LYS A 171 29.864 5.009 -8.407 1.00 0.00 N ATOM 0 H LYS A 171 28.320 -1.199 -10.567 1.00 0.00 H new ATOM 0 HA LYS A 171 27.251 1.403 -10.361 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.709 0.508 -10.478 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.497 0.571 -12.216 1.00 0.00 H new ATOM 0 HG2 LYS A 171 30.340 2.729 -11.775 1.00 0.00 H new ATOM 0 HG3 LYS A 171 28.613 3.030 -11.779 1.00 0.00 H new ATOM 0 HD2 LYS A 171 28.562 2.780 -9.279 1.00 0.00 H new ATOM 0 HD3 LYS A 171 30.286 2.469 -9.273 1.00 0.00 H new ATOM 0 HE2 LYS A 171 30.689 4.715 -10.324 1.00 0.00 H new ATOM 0 HE3 LYS A 171 28.964 5.025 -10.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 30.048 6.032 -8.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 28.972 4.826 -7.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 30.643 4.526 -7.916 1.00 0.00 H new ATOM 552 N LEU A 172 26.754 -0.161 -13.210 1.00 0.00 N ATOM 553 CA LEU A 172 26.047 -0.114 -14.482 1.00 0.00 C ATOM 554 C LEU A 172 24.557 -0.411 -14.270 1.00 0.00 C ATOM 555 O LEU A 172 23.740 -0.094 -15.133 1.00 0.00 O ATOM 556 CB LEU A 172 26.661 -1.145 -15.447 1.00 0.00 C ATOM 557 CG LEU A 172 27.866 -0.559 -16.215 1.00 0.00 C ATOM 558 CD1 LEU A 172 27.393 0.488 -17.231 1.00 0.00 C ATOM 559 CD2 LEU A 172 28.873 0.074 -15.249 1.00 0.00 C ATOM 0 H LEU A 172 27.128 -1.081 -12.977 1.00 0.00 H new ATOM 0 HA LEU A 172 26.144 0.883 -14.911 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.979 -2.024 -14.887 1.00 0.00 H new ATOM 0 HB3 LEU A 172 25.903 -1.476 -16.157 1.00 0.00 H new ATOM 0 HG LEU A 172 28.357 -1.375 -16.745 1.00 0.00 H new ATOM 0 HD11 LEU A 172 28.253 0.892 -17.764 1.00 0.00 H new ATOM 0 HD12 LEU A 172 26.711 0.022 -17.942 1.00 0.00 H new ATOM 0 HD13 LEU A 172 26.878 1.295 -16.709 1.00 0.00 H new ATOM 0 HD21 LEU A 172 29.713 0.480 -15.813 1.00 0.00 H new ATOM 0 HD22 LEU A 172 28.388 0.876 -14.692 1.00 0.00 H new ATOM 0 HD23 LEU A 172 29.235 -0.683 -14.553 1.00 0.00 H new ATOM 571 N LEU A 173 24.200 -1.024 -13.129 1.00 0.00 N ATOM 572 CA LEU A 173 22.812 -1.365 -12.843 1.00 0.00 C ATOM 573 C LEU A 173 22.066 -0.116 -12.349 1.00 0.00 C ATOM 574 O LEU A 173 22.667 0.743 -11.707 1.00 0.00 O ATOM 575 CB LEU A 173 22.754 -2.500 -11.812 1.00 0.00 C ATOM 576 CG LEU A 173 23.404 -3.775 -12.387 1.00 0.00 C ATOM 577 CD1 LEU A 173 23.324 -4.901 -11.354 1.00 0.00 C ATOM 578 CD2 LEU A 173 22.676 -4.219 -13.663 1.00 0.00 C ATOM 0 H LEU A 173 24.858 -1.290 -12.396 1.00 0.00 H new ATOM 0 HA LEU A 173 22.323 -1.715 -13.752 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.270 -2.200 -10.900 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.718 -2.702 -11.540 1.00 0.00 H new ATOM 0 HG LEU A 173 24.445 -3.557 -12.625 1.00 0.00 H new ATOM 0 HD11 LEU A 173 23.784 -5.802 -11.761 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.852 -4.602 -10.448 1.00 0.00 H new ATOM 0 HD13 LEU A 173 22.280 -5.103 -11.116 1.00 0.00 H new ATOM 0 HD21 LEU A 173 23.147 -5.120 -14.056 1.00 0.00 H new ATOM 0 HD22 LEU A 173 21.631 -4.427 -13.432 1.00 0.00 H new ATOM 0 HD23 LEU A 173 22.732 -3.426 -14.408 1.00 0.00 H new ATOM 590 N PRO A 174 20.754 -0.004 -12.660 1.00 0.00 N ATOM 591 CA PRO A 174 19.953 1.151 -12.291 1.00 0.00 C ATOM 592 C PRO A 174 19.917 1.346 -10.774 1.00 0.00 C ATOM 593 O PRO A 174 20.328 2.392 -10.276 1.00 0.00 O ATOM 594 CB PRO A 174 18.552 0.886 -12.855 1.00 0.00 C ATOM 595 CG PRO A 174 18.567 -0.531 -13.442 1.00 0.00 C ATOM 596 CD PRO A 174 20.016 -1.011 -13.400 1.00 0.00 C ATOM 0 HA PRO A 174 20.376 2.071 -12.696 1.00 0.00 H new ATOM 0 HB2 PRO A 174 17.798 0.971 -12.072 1.00 0.00 H new ATOM 0 HB3 PRO A 174 18.300 1.619 -13.622 1.00 0.00 H new ATOM 0 HG2 PRO A 174 17.923 -1.195 -12.865 1.00 0.00 H new ATOM 0 HG3 PRO A 174 18.190 -0.530 -14.465 1.00 0.00 H new ATOM 0 HD2 PRO A 174 20.090 -1.984 -12.914 1.00 0.00 H new ATOM 0 HD3 PRO A 174 20.417 -1.126 -14.407 1.00 0.00 H new ATOM 604 N GLY A 175 19.417 0.342 -10.043 1.00 0.00 N ATOM 605 CA GLY A 175 19.315 0.425 -8.595 1.00 0.00 C ATOM 606 C GLY A 175 19.262 -0.972 -7.994 1.00 0.00 C ATOM 607 O GLY A 175 18.295 -1.323 -7.317 1.00 0.00 O ATOM 0 H GLY A 175 19.078 -0.535 -10.438 1.00 0.00 H new ATOM 0 HA2 GLY A 175 20.169 0.970 -8.193 1.00 0.00 H new ATOM 0 HA3 GLY A 175 18.421 0.983 -8.317 1.00 0.00 H new ATOM 611 N ARG A 176 20.310 -1.765 -8.245 1.00 0.00 N ATOM 612 CA ARG A 176 20.410 -3.122 -7.733 1.00 0.00 C ATOM 613 C ARG A 176 21.539 -3.178 -6.705 1.00 0.00 C ATOM 614 O ARG A 176 22.674 -2.829 -7.018 1.00 0.00 O ATOM 615 CB ARG A 176 20.696 -4.087 -8.892 1.00 0.00 C ATOM 616 CG ARG A 176 19.580 -4.037 -9.949 1.00 0.00 C ATOM 617 CD ARG A 176 18.260 -4.544 -9.358 1.00 0.00 C ATOM 618 NE ARG A 176 17.408 -3.426 -8.932 1.00 0.00 N ATOM 619 CZ ARG A 176 16.557 -2.784 -9.754 1.00 0.00 C ATOM 620 NH1 ARG A 176 16.479 -3.116 -11.051 1.00 0.00 N ATOM 621 NH2 ARG A 176 15.783 -1.805 -9.270 1.00 0.00 N ATOM 0 H ARG A 176 21.109 -1.477 -8.810 1.00 0.00 H new ATOM 0 HA ARG A 176 19.474 -3.415 -7.258 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.649 -3.831 -9.354 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.791 -5.103 -8.508 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.456 -3.015 -10.308 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.858 -4.646 -10.809 1.00 0.00 H new ATOM 0 HD2 ARG A 176 17.733 -5.145 -10.099 1.00 0.00 H new ATOM 0 HD3 ARG A 176 18.465 -5.194 -8.507 1.00 0.00 H new ATOM 0 HE ARG A 176 17.464 -3.119 -7.961 1.00 0.00 H new ATOM 0 HH11 ARG A 176 17.068 -3.861 -11.423 1.00 0.00 H new ATOM 0 HH12 ARG A 176 15.831 -2.623 -11.665 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.840 -1.550 -8.284 1.00 0.00 H new ATOM 0 HH22 ARG A 176 15.136 -1.314 -9.887 1.00 0.00 H new ATOM 635 N THR A 177 21.228 -3.619 -5.478 1.00 0.00 N ATOM 636 CA THR A 177 22.227 -3.728 -4.419 1.00 0.00 C ATOM 637 C THR A 177 22.886 -5.112 -4.484 1.00 0.00 C ATOM 638 O THR A 177 22.248 -6.084 -4.880 1.00 0.00 O ATOM 639 CB THR A 177 21.573 -3.453 -3.050 1.00 0.00 C ATOM 640 OG1 THR A 177 22.544 -3.565 -2.031 1.00 0.00 O ATOM 641 CG2 THR A 177 20.434 -4.439 -2.778 1.00 0.00 C ATOM 0 H THR A 177 20.289 -3.905 -5.199 1.00 0.00 H new ATOM 0 HA THR A 177 23.009 -2.981 -4.557 1.00 0.00 H new ATOM 0 HB THR A 177 21.161 -2.444 -3.063 1.00 0.00 H new ATOM 0 HG1 THR A 177 22.327 -4.328 -1.455 1.00 0.00 H new ATOM 0 HG21 THR A 177 19.990 -4.223 -1.806 1.00 0.00 H new ATOM 0 HG22 THR A 177 19.675 -4.341 -3.554 1.00 0.00 H new ATOM 0 HG23 THR A 177 20.825 -5.456 -2.780 1.00 0.00 H new ATOM 649 N ASP A 178 24.174 -5.185 -4.110 1.00 0.00 N ATOM 650 CA ASP A 178 24.962 -6.418 -4.178 1.00 0.00 C ATOM 651 C ASP A 178 24.195 -7.618 -3.615 1.00 0.00 C ATOM 652 O ASP A 178 24.058 -8.634 -4.293 1.00 0.00 O ATOM 653 CB ASP A 178 26.280 -6.224 -3.418 1.00 0.00 C ATOM 654 CG ASP A 178 27.059 -5.026 -3.953 1.00 0.00 C ATOM 655 OD1 ASP A 178 26.552 -3.895 -3.776 1.00 0.00 O ATOM 656 OD2 ASP A 178 28.142 -5.263 -4.526 1.00 0.00 O ATOM 0 H ASP A 178 24.696 -4.385 -3.751 1.00 0.00 H new ATOM 0 HA ASP A 178 25.169 -6.631 -5.227 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.073 -6.081 -2.357 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.888 -7.124 -3.506 1.00 0.00 H new ATOM 661 N ASN A 179 23.708 -7.510 -2.372 1.00 0.00 N ATOM 662 CA ASN A 179 22.997 -8.611 -1.724 1.00 0.00 C ATOM 663 C ASN A 179 21.824 -9.094 -2.587 1.00 0.00 C ATOM 664 O ASN A 179 21.561 -10.293 -2.653 1.00 0.00 O ATOM 665 CB ASN A 179 22.515 -8.176 -0.332 1.00 0.00 C ATOM 666 CG ASN A 179 21.576 -6.975 -0.405 1.00 0.00 C ATOM 667 OD1 ASN A 179 22.115 -5.777 -0.183 1.00 0.00 O flip ATOM 668 ND2 ASN A 179 20.385 -7.130 -0.658 1.00 0.00 N flip ATOM 0 H ASN A 179 23.795 -6.671 -1.799 1.00 0.00 H new ATOM 0 HA ASN A 179 23.685 -9.449 -1.609 1.00 0.00 H new ATOM 0 HB2 ASN A 179 22.003 -9.008 0.152 1.00 0.00 H new ATOM 0 HB3 ASN A 179 23.376 -7.927 0.289 1.00 0.00 H new ATOM 0 HD21 ASN A 179 20.016 -8.067 -0.821 1.00 0.00 H new ATOM 0 HD22 ASN A 179 19.764 -6.322 -0.705 1.00 0.00 H new ATOM 675 N ALA A 180 21.124 -8.166 -3.248 1.00 0.00 N ATOM 676 CA ALA A 180 19.983 -8.510 -4.086 1.00 0.00 C ATOM 677 C ALA A 180 20.463 -9.136 -5.392 1.00 0.00 C ATOM 678 O ALA A 180 19.839 -10.062 -5.897 1.00 0.00 O ATOM 679 CB ALA A 180 19.153 -7.258 -4.361 1.00 0.00 C ATOM 0 H ALA A 180 21.333 -7.168 -3.215 1.00 0.00 H new ATOM 0 HA ALA A 180 19.359 -9.237 -3.567 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.300 -7.517 -4.988 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.797 -6.843 -3.418 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.769 -6.519 -4.874 1.00 0.00 H new ATOM 685 N ILE A 181 21.575 -8.629 -5.936 1.00 0.00 N ATOM 686 CA ILE A 181 22.134 -9.141 -7.178 1.00 0.00 C ATOM 687 C ILE A 181 22.586 -10.574 -6.993 1.00 0.00 C ATOM 688 O ILE A 181 22.419 -11.386 -7.883 1.00 0.00 O ATOM 689 CB ILE A 181 23.312 -8.269 -7.612 1.00 0.00 C ATOM 690 CG1 ILE A 181 22.775 -6.948 -8.131 1.00 0.00 C ATOM 691 CG2 ILE A 181 24.092 -8.970 -8.719 1.00 0.00 C ATOM 692 CD1 ILE A 181 23.793 -5.836 -7.879 1.00 0.00 C ATOM 0 H ILE A 181 22.104 -7.859 -5.527 1.00 0.00 H new ATOM 0 HA ILE A 181 21.367 -9.114 -7.952 1.00 0.00 H new ATOM 0 HB ILE A 181 23.975 -8.096 -6.764 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.565 -7.025 -9.198 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.833 -6.709 -7.637 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.931 -8.345 -9.025 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.467 -9.925 -8.351 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.437 -9.142 -9.573 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.400 -4.891 -8.254 1.00 0.00 H new ATOM 0 HD12 ILE A 181 23.982 -5.751 -6.809 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.724 -6.072 -8.394 1.00 0.00 H new ATOM 704 N LYS A 182 23.162 -10.877 -5.840 1.00 0.00 N ATOM 705 CA LYS A 182 23.632 -12.216 -5.552 1.00 0.00 C ATOM 706 C LYS A 182 22.463 -13.108 -5.218 1.00 0.00 C ATOM 707 O LYS A 182 22.407 -14.241 -5.679 1.00 0.00 O ATOM 708 CB LYS A 182 24.598 -12.154 -4.402 1.00 0.00 C ATOM 709 CG LYS A 182 25.937 -11.665 -4.921 1.00 0.00 C ATOM 710 CD LYS A 182 26.625 -10.847 -3.830 1.00 0.00 C ATOM 711 CE LYS A 182 26.613 -11.631 -2.509 1.00 0.00 C ATOM 712 NZ LYS A 182 27.478 -10.987 -1.504 1.00 0.00 N ATOM 0 H LYS A 182 23.314 -10.206 -5.087 1.00 0.00 H new ATOM 0 HA LYS A 182 24.138 -12.630 -6.424 1.00 0.00 H new ATOM 0 HB2 LYS A 182 24.224 -11.483 -3.629 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.706 -13.138 -3.945 1.00 0.00 H new ATOM 0 HG2 LYS A 182 26.562 -12.511 -5.207 1.00 0.00 H new ATOM 0 HG3 LYS A 182 25.795 -11.057 -5.814 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.651 -10.624 -4.122 1.00 0.00 H new ATOM 0 HD3 LYS A 182 26.115 -9.892 -3.702 1.00 0.00 H new ATOM 0 HE2 LYS A 182 25.593 -11.695 -2.129 1.00 0.00 H new ATOM 0 HE3 LYS A 182 26.952 -12.652 -2.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 27.452 -11.536 -0.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 28.455 -10.949 -1.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 27.138 -10.021 -1.321 1.00 0.00 H new ATOM 726 N ASN A 183 21.520 -12.600 -4.419 1.00 0.00 N ATOM 727 CA ASN A 183 20.338 -13.362 -4.092 1.00 0.00 C ATOM 728 C ASN A 183 19.679 -13.780 -5.407 1.00 0.00 C ATOM 729 O ASN A 183 19.283 -14.928 -5.576 1.00 0.00 O ATOM 730 CB ASN A 183 19.390 -12.513 -3.242 1.00 0.00 C ATOM 731 CG ASN A 183 18.031 -13.192 -3.099 1.00 0.00 C ATOM 732 OD1 ASN A 183 17.834 -14.006 -2.202 1.00 0.00 O ATOM 733 ND2 ASN A 183 17.094 -12.852 -3.985 1.00 0.00 N ATOM 0 H ASN A 183 21.562 -11.673 -3.996 1.00 0.00 H new ATOM 0 HA ASN A 183 20.592 -14.248 -3.510 1.00 0.00 H new ATOM 0 HB2 ASN A 183 19.826 -12.351 -2.256 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.264 -11.532 -3.700 1.00 0.00 H new ATOM 0 HD21 ASN A 183 16.167 -13.274 -3.934 1.00 0.00 H new ATOM 0 HD22 ASN A 183 17.305 -12.170 -4.714 1.00 0.00 H new ATOM 740 N HIS A 184 19.595 -12.822 -6.340 1.00 0.00 N ATOM 741 CA HIS A 184 19.055 -13.052 -7.664 1.00 0.00 C ATOM 742 C HIS A 184 19.917 -14.085 -8.395 1.00 0.00 C ATOM 743 O HIS A 184 19.444 -15.159 -8.742 1.00 0.00 O ATOM 744 CB HIS A 184 19.061 -11.722 -8.442 1.00 0.00 C ATOM 745 CG HIS A 184 18.799 -11.917 -9.912 1.00 0.00 C ATOM 746 ND1 HIS A 184 17.521 -12.018 -10.451 1.00 0.00 N ATOM 747 CD2 HIS A 184 19.643 -12.052 -10.984 1.00 0.00 C ATOM 748 CE1 HIS A 184 17.675 -12.200 -11.780 1.00 0.00 C ATOM 749 NE2 HIS A 184 18.949 -12.231 -12.167 1.00 0.00 N ATOM 0 H HIS A 184 19.905 -11.863 -6.185 1.00 0.00 H new ATOM 0 HA HIS A 184 18.035 -13.429 -7.590 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.304 -11.057 -8.026 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.025 -11.231 -8.309 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.720 -12.022 -10.913 1.00 0.00 H new ATOM 0 HE1 HIS A 184 16.846 -12.310 -12.463 1.00 0.00 H new ATOM 0 HE2 HIS A 184 19.322 -12.356 -13.108 1.00 0.00 H new ATOM 757 N TRP A 185 21.185 -13.720 -8.626 1.00 0.00 N ATOM 758 CA TRP A 185 22.143 -14.529 -9.368 1.00 0.00 C ATOM 759 C TRP A 185 22.098 -16.003 -8.946 1.00 0.00 C ATOM 760 O TRP A 185 21.954 -16.885 -9.787 1.00 0.00 O ATOM 761 CB TRP A 185 23.549 -13.945 -9.176 1.00 0.00 C ATOM 762 CG TRP A 185 24.603 -14.579 -10.022 1.00 0.00 C ATOM 763 CD1 TRP A 185 25.516 -15.473 -9.609 1.00 0.00 C ATOM 764 CD2 TRP A 185 24.876 -14.373 -11.437 1.00 0.00 C ATOM 765 NE1 TRP A 185 26.331 -15.859 -10.648 1.00 0.00 N ATOM 766 CE2 TRP A 185 25.975 -15.207 -11.814 1.00 0.00 C ATOM 767 CE3 TRP A 185 24.308 -13.568 -12.449 1.00 0.00 C ATOM 768 CZ2 TRP A 185 26.469 -15.241 -13.118 1.00 0.00 C ATOM 769 CZ3 TRP A 185 24.812 -13.598 -13.763 1.00 0.00 C ATOM 770 CH2 TRP A 185 25.887 -14.440 -14.092 1.00 0.00 C ATOM 0 H TRP A 185 21.574 -12.838 -8.294 1.00 0.00 H new ATOM 0 HA TRP A 185 21.877 -14.500 -10.425 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.518 -12.878 -9.395 1.00 0.00 H new ATOM 0 HB3 TRP A 185 23.831 -14.048 -8.128 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.599 -15.840 -8.597 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.093 -16.533 -10.569 1.00 0.00 H new ATOM 0 HE3 TRP A 185 23.476 -12.921 -12.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.298 -15.886 -13.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 24.370 -12.970 -14.522 1.00 0.00 H new ATOM 0 HH2 TRP A 185 26.262 -14.465 -15.105 1.00 0.00 H new ATOM 781 N ASN A 186 22.241 -16.259 -7.647 1.00 0.00 N ATOM 782 CA ASN A 186 22.315 -17.614 -7.117 1.00 0.00 C ATOM 783 C ASN A 186 20.968 -18.353 -7.203 1.00 0.00 C ATOM 784 O ASN A 186 20.952 -19.581 -7.255 1.00 0.00 O ATOM 785 CB ASN A 186 22.795 -17.543 -5.661 1.00 0.00 C ATOM 786 CG ASN A 186 23.508 -18.829 -5.244 1.00 0.00 C ATOM 787 OD1 ASN A 186 24.698 -18.806 -4.940 1.00 0.00 O ATOM 788 ND2 ASN A 186 22.788 -19.948 -5.230 1.00 0.00 N ATOM 0 H ASN A 186 22.309 -15.532 -6.935 1.00 0.00 H new ATOM 0 HA ASN A 186 23.019 -18.183 -7.724 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.470 -16.696 -5.540 1.00 0.00 H new ATOM 0 HB3 ASN A 186 21.943 -17.368 -5.004 1.00 0.00 H new ATOM 0 HD21 ASN A 186 23.222 -20.830 -4.960 1.00 0.00 H new ATOM 0 HD22 ASN A 186 21.802 -19.923 -5.490 1.00 0.00 H new ATOM 795 N SER A 187 19.844 -17.627 -7.196 1.00 0.00 N ATOM 796 CA SER A 187 18.523 -18.262 -7.186 1.00 0.00 C ATOM 797 C SER A 187 17.980 -18.517 -8.596 1.00 0.00 C ATOM 798 O SER A 187 17.325 -19.532 -8.821 1.00 0.00 O ATOM 799 CB SER A 187 17.549 -17.377 -6.407 1.00 0.00 C ATOM 800 OG SER A 187 17.979 -17.265 -5.066 1.00 0.00 O ATOM 0 H SER A 187 19.823 -16.607 -7.197 1.00 0.00 H new ATOM 0 HA SER A 187 18.627 -19.235 -6.705 1.00 0.00 H new ATOM 0 HB2 SER A 187 17.493 -16.390 -6.865 1.00 0.00 H new ATOM 0 HB3 SER A 187 16.546 -17.803 -6.444 1.00 0.00 H new ATOM 0 HG SER A 187 18.512 -16.450 -4.960 1.00 0.00 H new ATOM 806 N THR A 188 18.218 -17.595 -9.535 1.00 0.00 N ATOM 807 CA THR A 188 17.639 -17.697 -10.869 1.00 0.00 C ATOM 808 C THR A 188 18.428 -18.657 -11.770 1.00 0.00 C ATOM 809 O THR A 188 18.170 -19.856 -11.776 1.00 0.00 O ATOM 810 CB THR A 188 17.551 -16.294 -11.495 1.00 0.00 C ATOM 811 OG1 THR A 188 18.817 -15.662 -11.455 1.00 0.00 O ATOM 812 CG2 THR A 188 16.538 -15.450 -10.716 1.00 0.00 C ATOM 0 H THR A 188 18.806 -16.774 -9.392 1.00 0.00 H new ATOM 0 HA THR A 188 16.637 -18.115 -10.777 1.00 0.00 H new ATOM 0 HB THR A 188 17.232 -16.388 -12.533 1.00 0.00 H new ATOM 0 HG1 THR A 188 18.996 -15.346 -10.545 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.475 -14.456 -11.159 1.00 0.00 H new ATOM 0 HG22 THR A 188 15.559 -15.928 -10.756 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.858 -15.365 -9.677 1.00 0.00 H new ATOM 820 N MET A 189 19.362 -18.115 -12.554 1.00 0.00 N ATOM 821 CA MET A 189 20.094 -18.885 -13.555 1.00 0.00 C ATOM 822 C MET A 189 21.017 -19.940 -12.934 1.00 0.00 C ATOM 823 O MET A 189 21.281 -20.961 -13.568 1.00 0.00 O ATOM 824 CB MET A 189 20.880 -17.921 -14.451 1.00 0.00 C ATOM 825 CG MET A 189 21.924 -17.150 -13.635 1.00 0.00 C ATOM 826 SD MET A 189 22.559 -15.682 -14.478 1.00 0.00 S ATOM 827 CE MET A 189 21.149 -14.567 -14.248 1.00 0.00 C ATOM 0 H MET A 189 19.630 -17.132 -12.511 1.00 0.00 H new ATOM 0 HA MET A 189 19.370 -19.438 -14.153 1.00 0.00 H new ATOM 0 HB2 MET A 189 21.373 -18.478 -15.248 1.00 0.00 H new ATOM 0 HB3 MET A 189 20.195 -17.220 -14.929 1.00 0.00 H new ATOM 0 HG2 MET A 189 21.482 -16.851 -12.685 1.00 0.00 H new ATOM 0 HG3 MET A 189 22.756 -17.815 -13.404 1.00 0.00 H new ATOM 0 HE1 MET A 189 20.888 -14.109 -15.202 1.00 0.00 H new ATOM 0 HE2 MET A 189 20.296 -15.132 -13.872 1.00 0.00 H new ATOM 0 HE3 MET A 189 21.413 -13.789 -13.532 1.00 0.00 H new