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 177 THR OG1 : rot -120:sc= 0.301 USER MOD Set 1.2: A 179 ASN : amide:sc= 0.0743 K(o=0.38,f=-1.9) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0.00444 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 159 HIS :FLIP no HE2:sc= -3.13 F(o=-4.3!,f=-3.1) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 ASN : amide:sc= -1.36 K(o=-1.4,f=-4.4!) USER MOD Single : A 171 LYS NZ :NH3+ 178:sc= 0.103 (180deg=0.0259) USER MOD Single : A 182 LYS NZ :NH3+ 147:sc= 1.24 (180deg=1.18) USER MOD Single : A 183 ASN : amide:sc= -0.036 X(o=-0.036,f=0) USER MOD Single : A 184 HIS :FLIP no HD1:sc= -0.769 F(o=-1.3,f=-0.77) USER MOD Single : A 186 ASN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 187 SER OG : rot -46:sc= 0.458 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 189 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 120 N TRP A 147 13.120 -9.322 -12.273 1.00 0.00 N ATOM 121 CA TRP A 147 14.301 -9.035 -13.068 1.00 0.00 C ATOM 122 C TRP A 147 13.943 -9.112 -14.549 1.00 0.00 C ATOM 123 O TRP A 147 13.273 -10.054 -14.974 1.00 0.00 O ATOM 124 CB TRP A 147 15.404 -10.031 -12.720 1.00 0.00 C ATOM 125 CG TRP A 147 16.245 -9.621 -11.557 1.00 0.00 C ATOM 126 CD1 TRP A 147 15.893 -9.700 -10.263 1.00 0.00 C ATOM 127 CD2 TRP A 147 17.586 -9.051 -11.559 1.00 0.00 C ATOM 128 NE1 TRP A 147 16.897 -9.231 -9.450 1.00 0.00 N ATOM 129 CE2 TRP A 147 17.978 -8.811 -10.204 1.00 0.00 C ATOM 130 CE3 TRP A 147 18.518 -8.709 -12.565 1.00 0.00 C ATOM 131 CZ2 TRP A 147 19.219 -8.265 -9.871 1.00 0.00 C ATOM 132 CZ3 TRP A 147 19.771 -8.155 -12.231 1.00 0.00 C ATOM 133 CH2 TRP A 147 20.119 -7.934 -10.890 1.00 0.00 C ATOM 0 HA TRP A 147 14.664 -8.030 -12.850 1.00 0.00 H new ATOM 0 HB2 TRP A 147 14.951 -10.999 -12.505 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.046 -10.166 -13.590 1.00 0.00 H new ATOM 0 HD1 TRP A 147 14.947 -10.081 -9.909 1.00 0.00 H new ATOM 0 HE1 TRP A 147 16.851 -9.197 -8.432 1.00 0.00 H new ATOM 0 HE3 TRP A 147 18.267 -8.874 -13.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.482 -8.100 -8.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 20.469 -7.899 -13.014 1.00 0.00 H new ATOM 0 HH2 TRP A 147 21.081 -7.509 -10.644 1.00 0.00 H new ATOM 144 N THR A 148 14.386 -8.124 -15.332 1.00 0.00 N ATOM 145 CA THR A 148 14.111 -8.093 -16.762 1.00 0.00 C ATOM 146 C THR A 148 15.191 -8.881 -17.510 1.00 0.00 C ATOM 147 O THR A 148 16.281 -9.106 -16.980 1.00 0.00 O ATOM 148 CB THR A 148 14.059 -6.636 -17.248 1.00 0.00 C ATOM 149 OG1 THR A 148 13.689 -5.785 -16.182 1.00 0.00 O ATOM 150 CG2 THR A 148 13.031 -6.503 -18.373 1.00 0.00 C ATOM 0 H THR A 148 14.938 -7.335 -14.994 1.00 0.00 H new ATOM 0 HA THR A 148 13.145 -8.556 -16.961 1.00 0.00 H new ATOM 0 HB THR A 148 15.045 -6.352 -17.615 1.00 0.00 H new ATOM 0 HG1 THR A 148 13.660 -4.858 -16.499 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.997 -5.468 -18.715 1.00 0.00 H new ATOM 0 HG22 THR A 148 13.314 -7.150 -19.203 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.048 -6.795 -18.004 1.00 0.00 H new ATOM 158 N GLU A 149 14.883 -9.297 -18.744 1.00 0.00 N ATOM 159 CA GLU A 149 15.818 -10.054 -19.566 1.00 0.00 C ATOM 160 C GLU A 149 17.116 -9.262 -19.734 1.00 0.00 C ATOM 161 O GLU A 149 18.204 -9.813 -19.589 1.00 0.00 O ATOM 162 CB GLU A 149 15.187 -10.342 -20.938 1.00 0.00 C ATOM 163 CG GLU A 149 13.834 -11.053 -20.777 1.00 0.00 C ATOM 164 CD GLU A 149 13.974 -12.344 -19.979 1.00 0.00 C ATOM 165 OE1 GLU A 149 14.676 -13.247 -20.481 1.00 0.00 O ATOM 166 OE2 GLU A 149 13.375 -12.402 -18.885 1.00 0.00 O ATOM 0 H GLU A 149 13.985 -9.117 -19.193 1.00 0.00 H new ATOM 0 HA GLU A 149 16.045 -11.002 -19.078 1.00 0.00 H new ATOM 0 HB2 GLU A 149 15.050 -9.408 -21.484 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.860 -10.961 -21.530 1.00 0.00 H new ATOM 0 HG2 GLU A 149 13.130 -10.389 -20.276 1.00 0.00 H new ATOM 0 HG3 GLU A 149 13.419 -11.275 -21.760 1.00 0.00 H new ATOM 173 N GLU A 150 16.988 -7.966 -20.042 1.00 0.00 N ATOM 174 CA GLU A 150 18.137 -7.093 -20.229 1.00 0.00 C ATOM 175 C GLU A 150 19.001 -7.081 -18.969 1.00 0.00 C ATOM 176 O GLU A 150 20.213 -7.252 -19.048 1.00 0.00 O ATOM 177 CB GLU A 150 17.653 -5.671 -20.557 1.00 0.00 C ATOM 178 CG GLU A 150 16.754 -5.686 -21.803 1.00 0.00 C ATOM 179 CD GLU A 150 15.277 -5.685 -21.418 1.00 0.00 C ATOM 180 OE1 GLU A 150 14.770 -6.783 -21.105 1.00 0.00 O ATOM 181 OE2 GLU A 150 14.684 -4.584 -21.442 1.00 0.00 O ATOM 0 H GLU A 150 16.088 -7.502 -20.166 1.00 0.00 H new ATOM 0 HA GLU A 150 18.740 -7.465 -21.057 1.00 0.00 H new ATOM 0 HB2 GLU A 150 17.103 -5.262 -19.709 1.00 0.00 H new ATOM 0 HB3 GLU A 150 18.509 -5.018 -20.726 1.00 0.00 H new ATOM 0 HG2 GLU A 150 16.972 -4.816 -22.422 1.00 0.00 H new ATOM 0 HG3 GLU A 150 16.975 -6.568 -22.404 1.00 0.00 H new ATOM 188 N GLU A 151 18.368 -6.876 -17.808 1.00 0.00 N ATOM 189 CA GLU A 151 19.071 -6.819 -16.530 1.00 0.00 C ATOM 190 C GLU A 151 19.902 -8.087 -16.322 1.00 0.00 C ATOM 191 O GLU A 151 21.090 -8.003 -16.021 1.00 0.00 O ATOM 192 CB GLU A 151 18.053 -6.643 -15.403 1.00 0.00 C ATOM 193 CG GLU A 151 17.294 -5.322 -15.589 1.00 0.00 C ATOM 194 CD GLU A 151 16.280 -5.111 -14.474 1.00 0.00 C ATOM 195 OE1 GLU A 151 15.919 -6.123 -13.830 1.00 0.00 O ATOM 196 OE2 GLU A 151 15.888 -3.944 -14.274 1.00 0.00 O ATOM 0 H GLU A 151 17.359 -6.746 -17.732 1.00 0.00 H new ATOM 0 HA GLU A 151 19.754 -5.969 -16.527 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.352 -7.478 -15.400 1.00 0.00 H new ATOM 0 HB3 GLU A 151 18.560 -6.649 -14.438 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.001 -4.492 -15.604 1.00 0.00 H new ATOM 0 HG3 GLU A 151 16.784 -5.324 -16.553 1.00 0.00 H new ATOM 203 N ASP A 152 19.276 -9.260 -16.484 1.00 0.00 N ATOM 204 CA ASP A 152 19.961 -10.536 -16.300 1.00 0.00 C ATOM 205 C ASP A 152 21.096 -10.690 -17.318 1.00 0.00 C ATOM 206 O ASP A 152 22.205 -11.083 -16.960 1.00 0.00 O ATOM 207 CB ASP A 152 18.955 -11.678 -16.440 1.00 0.00 C ATOM 208 CG ASP A 152 19.646 -13.026 -16.271 1.00 0.00 C ATOM 209 OD1 ASP A 152 19.926 -13.378 -15.104 1.00 0.00 O ATOM 210 OD2 ASP A 152 19.884 -13.677 -17.310 1.00 0.00 O ATOM 0 H ASP A 152 18.293 -9.346 -16.743 1.00 0.00 H new ATOM 0 HA ASP A 152 20.399 -10.566 -15.302 1.00 0.00 H new ATOM 0 HB2 ASP A 152 18.168 -11.570 -15.693 1.00 0.00 H new ATOM 0 HB3 ASP A 152 18.475 -11.629 -17.418 1.00 0.00 H new ATOM 215 N ARG A 153 20.818 -10.379 -18.590 1.00 0.00 N ATOM 216 CA ARG A 153 21.813 -10.491 -19.650 1.00 0.00 C ATOM 217 C ARG A 153 23.049 -9.663 -19.294 1.00 0.00 C ATOM 218 O ARG A 153 24.176 -10.162 -19.364 1.00 0.00 O ATOM 219 CB ARG A 153 21.194 -10.014 -20.970 1.00 0.00 C ATOM 220 CG ARG A 153 22.162 -10.279 -22.126 1.00 0.00 C ATOM 221 CD ARG A 153 21.518 -9.834 -23.441 1.00 0.00 C ATOM 222 NE ARG A 153 22.372 -10.169 -24.590 1.00 0.00 N ATOM 223 CZ ARG A 153 22.427 -11.398 -25.137 1.00 0.00 C ATOM 224 NH1 ARG A 153 21.716 -12.405 -24.610 1.00 0.00 N ATOM 225 NH2 ARG A 153 23.194 -11.615 -26.213 1.00 0.00 N ATOM 0 H ARG A 153 19.907 -10.047 -18.905 1.00 0.00 H new ATOM 0 HA ARG A 153 22.124 -11.530 -19.761 1.00 0.00 H new ATOM 0 HB2 ARG A 153 20.251 -10.532 -21.148 1.00 0.00 H new ATOM 0 HB3 ARG A 153 20.967 -8.950 -20.911 1.00 0.00 H new ATOM 0 HG2 ARG A 153 23.095 -9.739 -21.964 1.00 0.00 H new ATOM 0 HG3 ARG A 153 22.411 -11.339 -22.171 1.00 0.00 H new ATOM 0 HD2 ARG A 153 20.546 -10.315 -23.554 1.00 0.00 H new ATOM 0 HD3 ARG A 153 21.341 -8.759 -23.417 1.00 0.00 H new ATOM 0 HE ARG A 153 22.952 -9.433 -24.993 1.00 0.00 H new ATOM 0 HH11 ARG A 153 21.130 -12.242 -23.791 1.00 0.00 H new ATOM 0 HH12 ARG A 153 21.761 -13.334 -25.028 1.00 0.00 H new ATOM 0 HH21 ARG A 153 23.735 -10.850 -26.616 1.00 0.00 H new ATOM 0 HH22 ARG A 153 23.237 -12.545 -26.629 1.00 0.00 H new ATOM 239 N ILE A 154 22.836 -8.401 -18.909 1.00 0.00 N ATOM 240 CA ILE A 154 23.923 -7.510 -18.536 1.00 0.00 C ATOM 241 C ILE A 154 24.633 -8.066 -17.302 1.00 0.00 C ATOM 242 O ILE A 154 25.855 -8.037 -17.230 1.00 0.00 O ATOM 243 CB ILE A 154 23.359 -6.092 -18.288 1.00 0.00 C ATOM 244 CG1 ILE A 154 23.563 -5.232 -19.542 1.00 0.00 C ATOM 245 CG2 ILE A 154 24.077 -5.421 -17.112 1.00 0.00 C ATOM 246 CD1 ILE A 154 22.706 -5.754 -20.699 1.00 0.00 C ATOM 0 H ILE A 154 21.910 -7.977 -18.849 1.00 0.00 H new ATOM 0 HA ILE A 154 24.656 -7.443 -19.340 1.00 0.00 H new ATOM 0 HB ILE A 154 22.298 -6.181 -18.057 1.00 0.00 H new ATOM 0 HG12 ILE A 154 23.300 -4.196 -19.326 1.00 0.00 H new ATOM 0 HG13 ILE A 154 24.615 -5.241 -19.828 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.665 -4.424 -16.955 1.00 0.00 H new ATOM 0 HG22 ILE A 154 23.936 -6.018 -16.211 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.142 -5.343 -17.333 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.865 -5.131 -21.579 1.00 0.00 H new ATOM 0 HD12 ILE A 154 22.989 -6.782 -20.926 1.00 0.00 H new ATOM 0 HD13 ILE A 154 21.654 -5.721 -20.416 1.00 0.00 H new ATOM 258 N LEU A 155 23.859 -8.571 -16.335 1.00 0.00 N ATOM 259 CA LEU A 155 24.412 -9.132 -15.109 1.00 0.00 C ATOM 260 C LEU A 155 25.399 -10.254 -15.444 1.00 0.00 C ATOM 261 O LEU A 155 26.457 -10.351 -14.828 1.00 0.00 O ATOM 262 CB LEU A 155 23.262 -9.651 -14.226 1.00 0.00 C ATOM 263 CG LEU A 155 23.768 -10.014 -12.820 1.00 0.00 C ATOM 264 CD1 LEU A 155 24.207 -8.748 -12.078 1.00 0.00 C ATOM 265 CD2 LEU A 155 22.636 -10.680 -12.036 1.00 0.00 C ATOM 0 H LEU A 155 22.841 -8.600 -16.384 1.00 0.00 H new ATOM 0 HA LEU A 155 24.954 -8.361 -14.561 1.00 0.00 H new ATOM 0 HB2 LEU A 155 22.484 -8.891 -14.152 1.00 0.00 H new ATOM 0 HB3 LEU A 155 22.809 -10.527 -14.691 1.00 0.00 H new ATOM 0 HG LEU A 155 24.616 -10.693 -12.910 1.00 0.00 H new ATOM 0 HD11 LEU A 155 24.564 -9.015 -11.083 1.00 0.00 H new ATOM 0 HD12 LEU A 155 25.009 -8.261 -12.633 1.00 0.00 H new ATOM 0 HD13 LEU A 155 23.361 -8.066 -11.989 1.00 0.00 H new ATOM 0 HD21 LEU A 155 22.989 -10.940 -11.038 1.00 0.00 H new ATOM 0 HD22 LEU A 155 21.795 -9.991 -11.956 1.00 0.00 H new ATOM 0 HD23 LEU A 155 22.317 -11.584 -12.555 1.00 0.00 H new ATOM 277 N TYR A 156 25.051 -11.096 -16.426 1.00 0.00 N ATOM 278 CA TYR A 156 25.908 -12.200 -16.838 1.00 0.00 C ATOM 279 C TYR A 156 27.218 -11.661 -17.407 1.00 0.00 C ATOM 280 O TYR A 156 28.299 -12.032 -16.943 1.00 0.00 O ATOM 281 CB TYR A 156 25.168 -13.059 -17.876 1.00 0.00 C ATOM 282 CG TYR A 156 25.718 -14.469 -18.015 1.00 0.00 C ATOM 283 CD1 TYR A 156 27.025 -14.679 -18.497 1.00 0.00 C ATOM 284 CD2 TYR A 156 24.917 -15.572 -17.666 1.00 0.00 C ATOM 285 CE1 TYR A 156 27.529 -15.987 -18.620 1.00 0.00 C ATOM 286 CE2 TYR A 156 25.422 -16.877 -17.790 1.00 0.00 C ATOM 287 CZ TYR A 156 26.727 -17.085 -18.264 1.00 0.00 C ATOM 288 OH TYR A 156 27.213 -18.354 -18.383 1.00 0.00 O ATOM 0 H TYR A 156 24.177 -11.028 -16.948 1.00 0.00 H new ATOM 0 HA TYR A 156 26.146 -12.822 -15.975 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.115 -13.116 -17.601 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.218 -12.563 -18.845 1.00 0.00 H new ATOM 0 HD1 TYR A 156 27.641 -13.835 -18.772 1.00 0.00 H new ATOM 0 HD2 TYR A 156 23.912 -15.415 -17.302 1.00 0.00 H new ATOM 0 HE1 TYR A 156 28.532 -16.147 -18.988 1.00 0.00 H new ATOM 0 HE2 TYR A 156 24.805 -17.722 -17.520 1.00 0.00 H new ATOM 0 HH TYR A 156 26.530 -18.994 -18.093 1.00 0.00 H new ATOM 298 N GLN A 157 27.124 -10.789 -18.416 1.00 0.00 N ATOM 299 CA GLN A 157 28.300 -10.216 -19.053 1.00 0.00 C ATOM 300 C GLN A 157 29.158 -9.484 -18.020 1.00 0.00 C ATOM 301 O GLN A 157 30.381 -9.525 -18.098 1.00 0.00 O ATOM 302 CB GLN A 157 27.852 -9.273 -20.172 1.00 0.00 C ATOM 303 CG GLN A 157 29.067 -8.589 -20.809 1.00 0.00 C ATOM 304 CD GLN A 157 28.665 -7.796 -22.051 1.00 0.00 C ATOM 305 OE1 GLN A 157 27.487 -7.723 -22.395 1.00 0.00 O ATOM 306 NE2 GLN A 157 29.649 -7.201 -22.725 1.00 0.00 N ATOM 0 H GLN A 157 26.238 -10.467 -18.806 1.00 0.00 H new ATOM 0 HA GLN A 157 28.911 -11.009 -19.485 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.302 -9.832 -20.929 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.171 -8.522 -19.773 1.00 0.00 H new ATOM 0 HG2 GLN A 157 29.534 -7.923 -20.084 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.811 -9.339 -21.078 1.00 0.00 H new ATOM 0 HE21 GLN A 157 30.613 -7.288 -22.403 1.00 0.00 H new ATOM 0 HE22 GLN A 157 29.438 -6.658 -23.563 1.00 0.00 H new ATOM 315 N ALA A 158 28.516 -8.819 -17.055 1.00 0.00 N ATOM 316 CA ALA A 158 29.224 -8.091 -16.018 1.00 0.00 C ATOM 317 C ALA A 158 29.990 -9.064 -15.128 1.00 0.00 C ATOM 318 O ALA A 158 31.172 -8.860 -14.867 1.00 0.00 O ATOM 319 CB ALA A 158 28.227 -7.284 -15.191 1.00 0.00 C ATOM 0 H ALA A 158 27.500 -8.775 -16.977 1.00 0.00 H new ATOM 0 HA ALA A 158 29.938 -7.408 -16.478 1.00 0.00 H new ATOM 0 HB1 ALA A 158 28.759 -6.737 -14.412 1.00 0.00 H new ATOM 0 HB2 ALA A 158 27.705 -6.579 -15.837 1.00 0.00 H new ATOM 0 HB3 ALA A 158 27.505 -7.959 -14.732 1.00 0.00 H new ATOM 325 N HIS A 159 29.313 -10.119 -14.658 1.00 0.00 N ATOM 326 CA HIS A 159 29.930 -11.107 -13.785 1.00 0.00 C ATOM 327 C HIS A 159 31.164 -11.715 -14.446 1.00 0.00 C ATOM 328 O HIS A 159 32.105 -12.101 -13.761 1.00 0.00 O ATOM 329 CB HIS A 159 28.920 -12.206 -13.453 1.00 0.00 C ATOM 330 CG HIS A 159 29.407 -13.089 -12.337 1.00 0.00 C ATOM 331 ND1 HIS A 159 29.749 -12.815 -11.045 1.00 0.00 N flip ATOM 332 CD2 HIS A 159 29.616 -14.458 -12.479 1.00 0.00 C flip ATOM 333 CE1 HIS A 159 30.159 -13.950 -10.364 1.00 0.00 C flip ATOM 334 NE2 HIS A 159 30.056 -14.906 -11.286 1.00 0.00 N flip ATOM 0 H HIS A 159 28.333 -10.305 -14.873 1.00 0.00 H new ATOM 0 HA HIS A 159 30.241 -10.612 -12.865 1.00 0.00 H new ATOM 0 HB2 HIS A 159 27.969 -11.754 -13.171 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.734 -12.810 -14.341 1.00 0.00 H new ATOM 0 HD1 HIS A 159 29.708 -11.884 -10.629 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.457 -15.046 -13.371 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.483 -14.038 -9.337 1.00 0.00 H new ATOM 342 N LYS A 160 31.153 -11.806 -15.776 1.00 0.00 N ATOM 343 CA LYS A 160 32.254 -12.386 -16.521 1.00 0.00 C ATOM 344 C LYS A 160 33.348 -11.340 -16.772 1.00 0.00 C ATOM 345 O LYS A 160 34.532 -11.636 -16.618 1.00 0.00 O ATOM 346 CB LYS A 160 31.700 -12.944 -17.840 1.00 0.00 C ATOM 347 CG LYS A 160 32.843 -13.273 -18.805 1.00 0.00 C ATOM 348 CD LYS A 160 32.377 -14.302 -19.841 1.00 0.00 C ATOM 349 CE LYS A 160 31.233 -13.723 -20.680 1.00 0.00 C ATOM 350 NZ LYS A 160 30.869 -14.636 -21.777 1.00 0.00 N ATOM 0 H LYS A 160 30.382 -11.480 -16.358 1.00 0.00 H new ATOM 0 HA LYS A 160 32.711 -13.193 -15.949 1.00 0.00 H new ATOM 0 HB2 LYS A 160 31.112 -13.841 -17.644 1.00 0.00 H new ATOM 0 HB3 LYS A 160 31.029 -12.216 -18.296 1.00 0.00 H new ATOM 0 HG2 LYS A 160 33.178 -12.366 -19.307 1.00 0.00 H new ATOM 0 HG3 LYS A 160 33.696 -13.664 -18.251 1.00 0.00 H new ATOM 0 HD2 LYS A 160 33.209 -14.580 -20.488 1.00 0.00 H new ATOM 0 HD3 LYS A 160 32.046 -15.211 -19.339 1.00 0.00 H new ATOM 0 HE2 LYS A 160 30.365 -13.547 -20.045 1.00 0.00 H new ATOM 0 HE3 LYS A 160 31.530 -12.757 -21.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 30.092 -14.221 -22.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 31.693 -14.784 -22.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 30.564 -15.549 -21.382 1.00 0.00 H new ATOM 364 N ARG A 161 32.953 -10.125 -17.168 1.00 0.00 N ATOM 365 CA ARG A 161 33.902 -9.061 -17.483 1.00 0.00 C ATOM 366 C ARG A 161 34.534 -8.502 -16.205 1.00 0.00 C ATOM 367 O ARG A 161 35.747 -8.579 -16.031 1.00 0.00 O ATOM 368 CB ARG A 161 33.177 -7.958 -18.266 1.00 0.00 C ATOM 369 CG ARG A 161 34.181 -6.895 -18.721 1.00 0.00 C ATOM 370 CD ARG A 161 33.441 -5.767 -19.446 1.00 0.00 C ATOM 371 NE ARG A 161 34.328 -4.619 -19.686 1.00 0.00 N ATOM 372 CZ ARG A 161 35.253 -4.587 -20.664 1.00 0.00 C ATOM 373 NH1 ARG A 161 35.421 -5.642 -21.474 1.00 0.00 N ATOM 374 NH2 ARG A 161 36.011 -3.494 -20.827 1.00 0.00 N ATOM 0 H ARG A 161 31.975 -9.857 -17.277 1.00 0.00 H new ATOM 0 HA ARG A 161 34.708 -9.464 -18.096 1.00 0.00 H new ATOM 0 HB2 ARG A 161 32.671 -8.387 -19.131 1.00 0.00 H new ATOM 0 HB3 ARG A 161 32.409 -7.502 -17.642 1.00 0.00 H new ATOM 0 HG2 ARG A 161 34.719 -6.497 -17.861 1.00 0.00 H new ATOM 0 HG3 ARG A 161 34.923 -7.341 -19.383 1.00 0.00 H new ATOM 0 HD2 ARG A 161 33.052 -6.135 -20.396 1.00 0.00 H new ATOM 0 HD3 ARG A 161 32.584 -5.450 -18.852 1.00 0.00 H new ATOM 0 HE ARG A 161 34.238 -3.804 -19.080 1.00 0.00 H new ATOM 0 HH11 ARG A 161 34.846 -6.476 -21.351 1.00 0.00 H new ATOM 0 HH12 ARG A 161 36.124 -5.611 -22.213 1.00 0.00 H new ATOM 0 HH21 ARG A 161 35.886 -2.690 -20.211 1.00 0.00 H new ATOM 0 HH22 ARG A 161 36.713 -3.466 -21.567 1.00 0.00 H new ATOM 388 N LEU A 162 33.710 -7.931 -15.319 1.00 0.00 N ATOM 389 CA LEU A 162 34.197 -7.341 -14.074 1.00 0.00 C ATOM 390 C LEU A 162 34.625 -8.445 -13.107 1.00 0.00 C ATOM 391 O LEU A 162 35.403 -8.193 -12.187 1.00 0.00 O ATOM 392 CB LEU A 162 33.089 -6.483 -13.430 1.00 0.00 C ATOM 393 CG LEU A 162 33.012 -5.073 -14.058 1.00 0.00 C ATOM 394 CD1 LEU A 162 34.291 -4.281 -13.756 1.00 0.00 C ATOM 395 CD2 LEU A 162 32.804 -5.166 -15.572 1.00 0.00 C ATOM 0 H LEU A 162 32.700 -7.867 -15.445 1.00 0.00 H new ATOM 0 HA LEU A 162 35.056 -6.707 -14.294 1.00 0.00 H new ATOM 0 HB2 LEU A 162 32.128 -6.985 -13.546 1.00 0.00 H new ATOM 0 HB3 LEU A 162 33.275 -6.394 -12.360 1.00 0.00 H new ATOM 0 HG LEU A 162 32.161 -4.553 -13.619 1.00 0.00 H new ATOM 0 HD11 LEU A 162 34.220 -3.290 -14.205 1.00 0.00 H new ATOM 0 HD12 LEU A 162 34.412 -4.182 -12.677 1.00 0.00 H new ATOM 0 HD13 LEU A 162 35.151 -4.807 -14.171 1.00 0.00 H new ATOM 0 HD21 LEU A 162 32.753 -4.163 -15.995 1.00 0.00 H new ATOM 0 HD22 LEU A 162 33.637 -5.707 -16.021 1.00 0.00 H new ATOM 0 HD23 LEU A 162 31.874 -5.695 -15.780 1.00 0.00 H new ATOM 407 N GLY A 163 34.111 -9.663 -13.308 1.00 0.00 N ATOM 408 CA GLY A 163 34.420 -10.782 -12.440 1.00 0.00 C ATOM 409 C GLY A 163 33.397 -10.844 -11.311 1.00 0.00 C ATOM 410 O GLY A 163 32.420 -10.092 -11.313 1.00 0.00 O ATOM 0 H GLY A 163 33.475 -9.890 -14.073 1.00 0.00 H new ATOM 0 HA2 GLY A 163 34.407 -11.712 -13.009 1.00 0.00 H new ATOM 0 HA3 GLY A 163 35.424 -10.672 -12.030 1.00 0.00 H new ATOM 414 N ASN A 164 33.624 -11.734 -10.345 1.00 0.00 N ATOM 415 CA ASN A 164 32.734 -11.881 -9.204 1.00 0.00 C ATOM 416 C ASN A 164 33.031 -10.782 -8.182 1.00 0.00 C ATOM 417 O ASN A 164 33.441 -11.059 -7.055 1.00 0.00 O ATOM 418 CB ASN A 164 32.920 -13.279 -8.614 1.00 0.00 C ATOM 419 CG ASN A 164 31.881 -13.579 -7.534 1.00 0.00 C ATOM 420 OD1 ASN A 164 31.025 -12.753 -7.233 1.00 0.00 O ATOM 421 ND2 ASN A 164 31.961 -14.774 -6.948 1.00 0.00 N ATOM 0 H ASN A 164 34.424 -12.366 -10.335 1.00 0.00 H new ATOM 0 HA ASN A 164 31.692 -11.774 -9.507 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.845 -14.022 -9.408 1.00 0.00 H new ATOM 0 HB3 ASN A 164 33.921 -13.365 -8.190 1.00 0.00 H new ATOM 0 HD21 ASN A 164 31.295 -15.030 -6.220 1.00 0.00 H new ATOM 0 HD22 ASN A 164 32.689 -15.432 -7.228 1.00 0.00 H new ATOM 428 N ARG A 165 32.818 -9.530 -8.600 1.00 0.00 N ATOM 429 CA ARG A 165 33.018 -8.359 -7.763 1.00 0.00 C ATOM 430 C ARG A 165 31.865 -7.403 -8.029 1.00 0.00 C ATOM 431 O ARG A 165 31.995 -6.476 -8.829 1.00 0.00 O ATOM 432 CB ARG A 165 34.365 -7.693 -8.096 1.00 0.00 C ATOM 433 CG ARG A 165 35.534 -8.524 -7.544 1.00 0.00 C ATOM 434 CD ARG A 165 36.128 -9.403 -8.654 1.00 0.00 C ATOM 435 NE ARG A 165 37.338 -10.096 -8.191 1.00 0.00 N ATOM 436 CZ ARG A 165 37.316 -11.189 -7.403 1.00 0.00 C ATOM 437 NH1 ARG A 165 36.154 -11.674 -6.939 1.00 0.00 N ATOM 438 NH2 ARG A 165 38.463 -11.797 -7.079 1.00 0.00 N ATOM 0 H ARG A 165 32.498 -9.306 -9.542 1.00 0.00 H new ATOM 0 HA ARG A 165 33.040 -8.637 -6.709 1.00 0.00 H new ATOM 0 HB2 ARG A 165 34.466 -7.586 -9.176 1.00 0.00 H new ATOM 0 HB3 ARG A 165 34.394 -6.689 -7.673 1.00 0.00 H new ATOM 0 HG2 ARG A 165 36.302 -7.863 -7.143 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.189 -9.149 -6.720 1.00 0.00 H new ATOM 0 HD2 ARG A 165 35.388 -10.135 -8.978 1.00 0.00 H new ATOM 0 HD3 ARG A 165 36.367 -8.787 -9.521 1.00 0.00 H new ATOM 0 HE ARG A 165 38.244 -9.730 -8.482 1.00 0.00 H new ATOM 0 HH11 ARG A 165 35.276 -11.215 -7.182 1.00 0.00 H new ATOM 0 HH12 ARG A 165 36.148 -12.502 -6.343 1.00 0.00 H new ATOM 0 HH21 ARG A 165 39.350 -11.433 -7.428 1.00 0.00 H new ATOM 0 HH22 ARG A 165 38.451 -12.625 -6.483 1.00 0.00 H new ATOM 452 N TRP A 166 30.730 -7.640 -7.367 1.00 0.00 N ATOM 453 CA TRP A 166 29.525 -6.847 -7.578 1.00 0.00 C ATOM 454 C TRP A 166 29.608 -5.490 -6.869 1.00 0.00 C ATOM 455 O TRP A 166 28.599 -4.996 -6.369 1.00 0.00 O ATOM 456 CB TRP A 166 28.318 -7.629 -7.064 1.00 0.00 C ATOM 457 CG TRP A 166 28.315 -9.101 -7.359 1.00 0.00 C ATOM 458 CD1 TRP A 166 28.777 -10.059 -6.540 1.00 0.00 C ATOM 459 CD2 TRP A 166 27.804 -9.813 -8.529 1.00 0.00 C ATOM 460 NE1 TRP A 166 28.566 -11.306 -7.068 1.00 0.00 N ATOM 461 CE2 TRP A 166 27.951 -11.217 -8.297 1.00 0.00 C ATOM 462 CE3 TRP A 166 27.221 -9.430 -9.759 1.00 0.00 C ATOM 463 CZ2 TRP A 166 27.514 -12.174 -9.209 1.00 0.00 C ATOM 464 CZ3 TRP A 166 26.797 -10.398 -10.690 1.00 0.00 C ATOM 465 CH2 TRP A 166 26.931 -11.766 -10.410 1.00 0.00 C ATOM 0 H TRP A 166 30.624 -8.382 -6.675 1.00 0.00 H new ATOM 0 HA TRP A 166 29.423 -6.654 -8.646 1.00 0.00 H new ATOM 0 HB2 TRP A 166 28.256 -7.495 -5.984 1.00 0.00 H new ATOM 0 HB3 TRP A 166 27.417 -7.191 -7.492 1.00 0.00 H new ATOM 0 HD1 TRP A 166 29.253 -9.872 -5.589 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.829 -12.180 -6.613 1.00 0.00 H new ATOM 0 HE3 TRP A 166 27.099 -8.381 -9.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 27.625 -13.225 -8.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.365 -10.084 -11.629 1.00 0.00 H new ATOM 0 HH2 TRP A 166 26.584 -12.501 -11.121 1.00 0.00 H new ATOM 476 N ALA A 167 30.798 -4.886 -6.826 1.00 0.00 N ATOM 477 CA ALA A 167 30.982 -3.596 -6.187 1.00 0.00 C ATOM 478 C ALA A 167 30.761 -2.484 -7.210 1.00 0.00 C ATOM 479 O ALA A 167 29.959 -1.580 -6.984 1.00 0.00 O ATOM 480 CB ALA A 167 32.392 -3.522 -5.598 1.00 0.00 C ATOM 0 H ALA A 167 31.648 -5.278 -7.231 1.00 0.00 H new ATOM 0 HA ALA A 167 30.259 -3.471 -5.381 1.00 0.00 H new ATOM 0 HB1 ALA A 167 32.535 -2.554 -5.117 1.00 0.00 H new ATOM 0 HB2 ALA A 167 32.521 -4.316 -4.862 1.00 0.00 H new ATOM 0 HB3 ALA A 167 33.126 -3.643 -6.395 1.00 0.00 H new ATOM 486 N GLU A 168 31.482 -2.557 -8.335 1.00 0.00 N ATOM 487 CA GLU A 168 31.394 -1.554 -9.384 1.00 0.00 C ATOM 488 C GLU A 168 30.300 -1.915 -10.396 1.00 0.00 C ATOM 489 O GLU A 168 29.800 -1.044 -11.096 1.00 0.00 O ATOM 490 CB GLU A 168 32.754 -1.446 -10.083 1.00 0.00 C ATOM 491 CG GLU A 168 32.879 -0.077 -10.756 1.00 0.00 C ATOM 492 CD GLU A 168 34.000 -0.062 -11.789 1.00 0.00 C ATOM 493 OE1 GLU A 168 34.965 -0.830 -11.596 1.00 0.00 O ATOM 494 OE2 GLU A 168 33.865 0.726 -12.753 1.00 0.00 O ATOM 0 H GLU A 168 32.138 -3.312 -8.536 1.00 0.00 H new ATOM 0 HA GLU A 168 31.131 -0.594 -8.941 1.00 0.00 H new ATOM 0 HB2 GLU A 168 33.558 -1.581 -9.359 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.857 -2.238 -10.825 1.00 0.00 H new ATOM 0 HG2 GLU A 168 31.936 0.180 -11.238 1.00 0.00 H new ATOM 0 HG3 GLU A 168 33.069 0.685 -10.000 1.00 0.00 H new ATOM 501 N ILE A 169 29.937 -3.198 -10.482 1.00 0.00 N ATOM 502 CA ILE A 169 28.945 -3.666 -11.448 1.00 0.00 C ATOM 503 C ILE A 169 27.628 -2.884 -11.335 1.00 0.00 C ATOM 504 O ILE A 169 26.976 -2.639 -12.350 1.00 0.00 O ATOM 505 CB ILE A 169 28.710 -5.166 -11.236 1.00 0.00 C ATOM 506 CG1 ILE A 169 29.981 -5.939 -11.646 1.00 0.00 C ATOM 507 CG2 ILE A 169 27.513 -5.632 -12.079 1.00 0.00 C ATOM 508 CD1 ILE A 169 29.796 -7.447 -11.433 1.00 0.00 C ATOM 0 H ILE A 169 30.320 -3.934 -9.889 1.00 0.00 H new ATOM 0 HA ILE A 169 29.328 -3.494 -12.454 1.00 0.00 H new ATOM 0 HB ILE A 169 28.492 -5.358 -10.185 1.00 0.00 H new ATOM 0 HG12 ILE A 169 30.210 -5.741 -12.693 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.831 -5.586 -11.061 1.00 0.00 H new ATOM 0 HG21 ILE A 169 27.352 -6.699 -11.924 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.621 -5.083 -11.779 1.00 0.00 H new ATOM 0 HG23 ILE A 169 27.716 -5.446 -13.134 1.00 0.00 H new ATOM 0 HD11 ILE A 169 30.705 -7.970 -11.729 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.591 -7.643 -10.381 1.00 0.00 H new ATOM 0 HD13 ILE A 169 28.961 -7.800 -12.038 1.00 0.00 H new ATOM 520 N ALA A 170 27.227 -2.493 -10.114 1.00 0.00 N ATOM 521 CA ALA A 170 25.970 -1.774 -9.919 1.00 0.00 C ATOM 522 C ALA A 170 25.961 -0.448 -10.691 1.00 0.00 C ATOM 523 O ALA A 170 24.896 0.116 -10.918 1.00 0.00 O ATOM 524 CB ALA A 170 25.721 -1.533 -8.437 1.00 0.00 C ATOM 0 H ALA A 170 27.754 -2.664 -9.258 1.00 0.00 H new ATOM 0 HA ALA A 170 25.164 -2.393 -10.312 1.00 0.00 H new ATOM 0 HB1 ALA A 170 24.781 -0.996 -8.309 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.667 -2.489 -7.917 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.537 -0.940 -8.023 1.00 0.00 H new ATOM 530 N LYS A 171 27.133 0.047 -11.111 1.00 0.00 N ATOM 531 CA LYS A 171 27.196 1.255 -11.919 1.00 0.00 C ATOM 532 C LYS A 171 26.423 1.018 -13.216 1.00 0.00 C ATOM 533 O LYS A 171 25.749 1.916 -13.717 1.00 0.00 O ATOM 534 CB LYS A 171 28.657 1.601 -12.224 1.00 0.00 C ATOM 535 CG LYS A 171 29.323 2.215 -10.976 1.00 0.00 C ATOM 536 CD LYS A 171 30.147 3.458 -11.360 1.00 0.00 C ATOM 537 CE LYS A 171 31.578 3.058 -11.746 1.00 0.00 C ATOM 538 NZ LYS A 171 31.598 2.167 -12.921 1.00 0.00 N ATOM 0 H LYS A 171 28.039 -0.372 -10.903 1.00 0.00 H new ATOM 0 HA LYS A 171 26.751 2.090 -11.378 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.196 0.704 -12.530 1.00 0.00 H new ATOM 0 HB3 LYS A 171 28.707 2.303 -13.056 1.00 0.00 H new ATOM 0 HG2 LYS A 171 28.560 2.488 -10.247 1.00 0.00 H new ATOM 0 HG3 LYS A 171 29.968 1.476 -10.501 1.00 0.00 H new ATOM 0 HD2 LYS A 171 29.670 3.974 -12.193 1.00 0.00 H new ATOM 0 HD3 LYS A 171 30.172 4.157 -10.524 1.00 0.00 H new ATOM 0 HE2 LYS A 171 32.161 3.954 -11.959 1.00 0.00 H new ATOM 0 HE3 LYS A 171 32.056 2.559 -10.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 32.583 1.946 -13.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 31.091 1.287 -12.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 31.134 2.640 -13.723 1.00 0.00 H new ATOM 552 N LEU A 172 26.526 -0.207 -13.747 1.00 0.00 N ATOM 553 CA LEU A 172 25.832 -0.596 -14.960 1.00 0.00 C ATOM 554 C LEU A 172 24.395 -1.012 -14.620 1.00 0.00 C ATOM 555 O LEU A 172 23.524 -0.992 -15.489 1.00 0.00 O ATOM 556 CB LEU A 172 26.611 -1.745 -15.620 1.00 0.00 C ATOM 557 CG LEU A 172 26.036 -2.085 -17.005 1.00 0.00 C ATOM 558 CD1 LEU A 172 26.076 -0.854 -17.919 1.00 0.00 C ATOM 559 CD2 LEU A 172 26.874 -3.202 -17.631 1.00 0.00 C ATOM 0 H LEU A 172 27.095 -0.949 -13.340 1.00 0.00 H new ATOM 0 HA LEU A 172 25.778 0.239 -15.659 1.00 0.00 H new ATOM 0 HB2 LEU A 172 27.660 -1.467 -15.718 1.00 0.00 H new ATOM 0 HB3 LEU A 172 26.573 -2.627 -14.981 1.00 0.00 H new ATOM 0 HG LEU A 172 25.001 -2.406 -16.891 1.00 0.00 H new ATOM 0 HD11 LEU A 172 25.665 -1.112 -18.895 1.00 0.00 H new ATOM 0 HD12 LEU A 172 25.484 -0.053 -17.477 1.00 0.00 H new ATOM 0 HD13 LEU A 172 27.107 -0.521 -18.036 1.00 0.00 H new ATOM 0 HD21 LEU A 172 26.474 -3.450 -18.614 1.00 0.00 H new ATOM 0 HD22 LEU A 172 27.907 -2.868 -17.733 1.00 0.00 H new ATOM 0 HD23 LEU A 172 26.840 -4.084 -16.992 1.00 0.00 H new ATOM 571 N LEU A 173 24.149 -1.379 -13.345 1.00 0.00 N ATOM 572 CA LEU A 173 22.822 -1.778 -12.881 1.00 0.00 C ATOM 573 C LEU A 173 22.371 -0.875 -11.725 1.00 0.00 C ATOM 574 O LEU A 173 22.386 -1.303 -10.571 1.00 0.00 O ATOM 575 CB LEU A 173 22.852 -3.246 -12.431 1.00 0.00 C ATOM 576 CG LEU A 173 23.028 -4.181 -13.637 1.00 0.00 C ATOM 577 CD1 LEU A 173 23.289 -5.599 -13.130 1.00 0.00 C ATOM 578 CD2 LEU A 173 21.759 -4.180 -14.499 1.00 0.00 C ATOM 0 H LEU A 173 24.866 -1.404 -12.620 1.00 0.00 H new ATOM 0 HA LEU A 173 22.110 -1.672 -13.700 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.668 -3.398 -11.725 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.928 -3.490 -11.908 1.00 0.00 H new ATOM 0 HG LEU A 173 23.867 -3.835 -14.241 1.00 0.00 H new ATOM 0 HD11 LEU A 173 23.415 -6.271 -13.979 1.00 0.00 H new ATOM 0 HD12 LEU A 173 24.194 -5.607 -12.522 1.00 0.00 H new ATOM 0 HD13 LEU A 173 22.444 -5.931 -12.527 1.00 0.00 H new ATOM 0 HD21 LEU A 173 21.897 -4.847 -15.350 1.00 0.00 H new ATOM 0 HD22 LEU A 173 20.914 -4.523 -13.903 1.00 0.00 H new ATOM 0 HD23 LEU A 173 21.563 -3.169 -14.857 1.00 0.00 H new ATOM 590 N PRO A 174 21.958 0.376 -12.027 1.00 0.00 N ATOM 591 CA PRO A 174 21.491 1.301 -11.017 1.00 0.00 C ATOM 592 C PRO A 174 20.228 0.756 -10.350 1.00 0.00 C ATOM 593 O PRO A 174 19.477 -0.003 -10.965 1.00 0.00 O ATOM 594 CB PRO A 174 21.213 2.618 -11.746 1.00 0.00 C ATOM 595 CG PRO A 174 21.381 2.340 -13.244 1.00 0.00 C ATOM 596 CD PRO A 174 21.937 0.922 -13.370 1.00 0.00 C ATOM 0 HA PRO A 174 22.226 1.446 -10.225 1.00 0.00 H new ATOM 0 HB2 PRO A 174 20.206 2.974 -11.530 1.00 0.00 H new ATOM 0 HB3 PRO A 174 21.903 3.395 -11.417 1.00 0.00 H new ATOM 0 HG2 PRO A 174 20.427 2.429 -13.763 1.00 0.00 H new ATOM 0 HG3 PRO A 174 22.059 3.063 -13.698 1.00 0.00 H new ATOM 0 HD2 PRO A 174 21.313 0.316 -14.027 1.00 0.00 H new ATOM 0 HD3 PRO A 174 22.938 0.933 -13.802 1.00 0.00 H new ATOM 604 N GLY A 175 19.997 1.144 -9.092 1.00 0.00 N ATOM 605 CA GLY A 175 18.836 0.686 -8.345 1.00 0.00 C ATOM 606 C GLY A 175 18.876 -0.832 -8.199 1.00 0.00 C ATOM 607 O GLY A 175 17.856 -1.502 -8.365 1.00 0.00 O ATOM 0 H GLY A 175 20.606 1.777 -8.573 1.00 0.00 H new ATOM 0 HA2 GLY A 175 18.819 1.154 -7.361 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.922 0.987 -8.857 1.00 0.00 H new ATOM 611 N ARG A 176 20.062 -1.372 -7.889 1.00 0.00 N ATOM 612 CA ARG A 176 20.248 -2.802 -7.719 1.00 0.00 C ATOM 613 C ARG A 176 21.483 -3.034 -6.846 1.00 0.00 C ATOM 614 O ARG A 176 22.613 -2.910 -7.314 1.00 0.00 O ATOM 615 CB ARG A 176 20.389 -3.460 -9.108 1.00 0.00 C ATOM 616 CG ARG A 176 19.814 -4.890 -9.112 1.00 0.00 C ATOM 617 CD ARG A 176 18.291 -4.884 -8.880 1.00 0.00 C ATOM 618 NE ARG A 176 17.619 -3.918 -9.762 1.00 0.00 N ATOM 619 CZ ARG A 176 17.098 -4.236 -10.963 1.00 0.00 C ATOM 620 NH1 ARG A 176 17.135 -5.502 -11.413 1.00 0.00 N ATOM 621 NH2 ARG A 176 16.540 -3.280 -11.714 1.00 0.00 N ATOM 0 H ARG A 176 20.911 -0.824 -7.751 1.00 0.00 H new ATOM 0 HA ARG A 176 19.390 -3.255 -7.222 1.00 0.00 H new ATOM 0 HB2 ARG A 176 19.871 -2.856 -9.853 1.00 0.00 H new ATOM 0 HB3 ARG A 176 21.440 -3.488 -9.394 1.00 0.00 H new ATOM 0 HG2 ARG A 176 20.037 -5.371 -10.065 1.00 0.00 H new ATOM 0 HG3 ARG A 176 20.300 -5.481 -8.336 1.00 0.00 H new ATOM 0 HD2 ARG A 176 17.890 -5.882 -9.058 1.00 0.00 H new ATOM 0 HD3 ARG A 176 18.081 -4.637 -7.839 1.00 0.00 H new ATOM 0 HE ARG A 176 17.543 -2.951 -9.446 1.00 0.00 H new ATOM 0 HH11 ARG A 176 17.561 -6.233 -10.844 1.00 0.00 H new ATOM 0 HH12 ARG A 176 16.737 -5.731 -12.324 1.00 0.00 H new ATOM 0 HH21 ARG A 176 16.511 -2.318 -11.376 1.00 0.00 H new ATOM 0 HH22 ARG A 176 16.143 -3.513 -12.624 1.00 0.00 H new ATOM 635 N THR A 177 21.255 -3.353 -5.566 1.00 0.00 N ATOM 636 CA THR A 177 22.334 -3.550 -4.603 1.00 0.00 C ATOM 637 C THR A 177 22.957 -4.943 -4.770 1.00 0.00 C ATOM 638 O THR A 177 22.385 -5.813 -5.431 1.00 0.00 O ATOM 639 CB THR A 177 21.787 -3.336 -3.181 1.00 0.00 C ATOM 640 OG1 THR A 177 22.828 -3.500 -2.242 1.00 0.00 O ATOM 641 CG2 THR A 177 20.669 -4.338 -2.884 1.00 0.00 C ATOM 0 H THR A 177 20.322 -3.480 -5.175 1.00 0.00 H new ATOM 0 HA THR A 177 23.126 -2.822 -4.782 1.00 0.00 H new ATOM 0 HB THR A 177 21.384 -2.326 -3.109 1.00 0.00 H new ATOM 0 HG1 THR A 177 22.605 -4.233 -1.631 1.00 0.00 H new ATOM 0 HG21 THR A 177 20.292 -4.174 -1.874 1.00 0.00 H new ATOM 0 HG22 THR A 177 19.859 -4.202 -3.600 1.00 0.00 H new ATOM 0 HG23 THR A 177 21.059 -5.353 -2.965 1.00 0.00 H new ATOM 649 N ASP A 178 24.146 -5.137 -4.175 1.00 0.00 N ATOM 650 CA ASP A 178 24.899 -6.377 -4.311 1.00 0.00 C ATOM 651 C ASP A 178 24.114 -7.576 -3.765 1.00 0.00 C ATOM 652 O ASP A 178 23.990 -8.583 -4.450 1.00 0.00 O ATOM 653 CB ASP A 178 26.266 -6.236 -3.615 1.00 0.00 C ATOM 654 CG ASP A 178 26.186 -6.554 -2.126 1.00 0.00 C ATOM 655 OD1 ASP A 178 25.636 -5.706 -1.393 1.00 0.00 O ATOM 656 OD2 ASP A 178 26.671 -7.648 -1.753 1.00 0.00 O ATOM 0 H ASP A 178 24.603 -4.437 -3.591 1.00 0.00 H new ATOM 0 HA ASP A 178 25.065 -6.566 -5.372 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.985 -6.904 -4.090 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.638 -5.220 -3.749 1.00 0.00 H new ATOM 661 N ASN A 179 23.595 -7.481 -2.532 1.00 0.00 N ATOM 662 CA ASN A 179 22.888 -8.598 -1.909 1.00 0.00 C ATOM 663 C ASN A 179 21.764 -9.101 -2.818 1.00 0.00 C ATOM 664 O ASN A 179 21.570 -10.307 -2.946 1.00 0.00 O ATOM 665 CB ASN A 179 22.353 -8.182 -0.531 1.00 0.00 C ATOM 666 CG ASN A 179 21.441 -6.965 -0.619 1.00 0.00 C ATOM 667 OD1 ASN A 179 21.908 -5.836 -0.541 1.00 0.00 O ATOM 668 ND2 ASN A 179 20.136 -7.195 -0.777 1.00 0.00 N ATOM 0 H ASN A 179 23.654 -6.644 -1.952 1.00 0.00 H new ATOM 0 HA ASN A 179 23.587 -9.422 -1.766 1.00 0.00 H new ATOM 0 HB2 ASN A 179 21.806 -9.014 -0.088 1.00 0.00 H new ATOM 0 HB3 ASN A 179 23.190 -7.961 0.132 1.00 0.00 H new ATOM 0 HD21 ASN A 179 19.484 -6.413 -0.838 1.00 0.00 H new ATOM 0 HD22 ASN A 179 19.791 -8.153 -0.837 1.00 0.00 H new ATOM 675 N ALA A 180 21.034 -8.183 -3.455 1.00 0.00 N ATOM 676 CA ALA A 180 19.946 -8.547 -4.349 1.00 0.00 C ATOM 677 C ALA A 180 20.511 -9.166 -5.625 1.00 0.00 C ATOM 678 O ALA A 180 19.962 -10.135 -6.141 1.00 0.00 O ATOM 679 CB ALA A 180 19.127 -7.304 -4.676 1.00 0.00 C ATOM 0 H ALA A 180 21.182 -7.178 -3.364 1.00 0.00 H new ATOM 0 HA ALA A 180 19.301 -9.280 -3.865 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.310 -7.572 -5.346 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.719 -6.885 -3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.765 -6.565 -5.160 1.00 0.00 H new ATOM 685 N ILE A 181 21.611 -8.600 -6.127 1.00 0.00 N ATOM 686 CA ILE A 181 22.263 -9.087 -7.332 1.00 0.00 C ATOM 687 C ILE A 181 22.703 -10.532 -7.154 1.00 0.00 C ATOM 688 O ILE A 181 22.462 -11.357 -8.020 1.00 0.00 O ATOM 689 CB ILE A 181 23.458 -8.175 -7.645 1.00 0.00 C ATOM 690 CG1 ILE A 181 23.010 -7.107 -8.629 1.00 0.00 C ATOM 691 CG2 ILE A 181 24.611 -8.974 -8.247 1.00 0.00 C ATOM 692 CD1 ILE A 181 23.942 -5.894 -8.558 1.00 0.00 C ATOM 0 H ILE A 181 22.070 -7.792 -5.706 1.00 0.00 H new ATOM 0 HA ILE A 181 21.565 -9.063 -8.169 1.00 0.00 H new ATOM 0 HB ILE A 181 23.809 -7.717 -6.720 1.00 0.00 H new ATOM 0 HG12 ILE A 181 23.007 -7.513 -9.641 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.988 -6.802 -8.405 1.00 0.00 H new ATOM 0 HG21 ILE A 181 25.445 -8.305 -8.460 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.931 -9.740 -7.540 1.00 0.00 H new ATOM 0 HG23 ILE A 181 24.281 -9.448 -9.171 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.609 -5.137 -9.268 1.00 0.00 H new ATOM 0 HD12 ILE A 181 23.923 -5.479 -7.550 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.958 -6.201 -8.805 1.00 0.00 H new ATOM 704 N LYS A 182 23.348 -10.831 -6.034 1.00 0.00 N ATOM 705 CA LYS A 182 23.822 -12.171 -5.751 1.00 0.00 C ATOM 706 C LYS A 182 22.657 -13.084 -5.475 1.00 0.00 C ATOM 707 O LYS A 182 22.633 -14.218 -5.952 1.00 0.00 O ATOM 708 CB LYS A 182 24.726 -12.121 -4.544 1.00 0.00 C ATOM 709 CG LYS A 182 26.089 -11.591 -4.963 1.00 0.00 C ATOM 710 CD LYS A 182 26.589 -10.577 -3.926 1.00 0.00 C ATOM 711 CE LYS A 182 26.512 -11.176 -2.512 1.00 0.00 C ATOM 712 NZ LYS A 182 27.182 -10.298 -1.535 1.00 0.00 N ATOM 0 H LYS A 182 23.555 -10.152 -5.302 1.00 0.00 H new ATOM 0 HA LYS A 182 24.370 -12.555 -6.612 1.00 0.00 H new ATOM 0 HB2 LYS A 182 24.293 -11.479 -3.777 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.827 -13.115 -4.109 1.00 0.00 H new ATOM 0 HG2 LYS A 182 26.798 -12.414 -5.053 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.021 -11.120 -5.944 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.617 -10.292 -4.152 1.00 0.00 H new ATOM 0 HD3 LYS A 182 25.988 -9.669 -3.977 1.00 0.00 H new ATOM 0 HE2 LYS A 182 25.469 -11.315 -2.227 1.00 0.00 H new ATOM 0 HE3 LYS A 182 26.979 -12.161 -2.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 26.694 -10.362 -0.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 28.172 -10.596 -1.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 27.153 -9.315 -1.875 1.00 0.00 H new ATOM 726 N ASN A 183 21.680 -12.596 -4.700 1.00 0.00 N ATOM 727 CA ASN A 183 20.517 -13.385 -4.390 1.00 0.00 C ATOM 728 C ASN A 183 19.889 -13.832 -5.706 1.00 0.00 C ATOM 729 O ASN A 183 19.506 -14.990 -5.857 1.00 0.00 O ATOM 730 CB ASN A 183 19.529 -12.563 -3.558 1.00 0.00 C ATOM 731 CG ASN A 183 18.246 -13.346 -3.309 1.00 0.00 C ATOM 732 OD1 ASN A 183 18.178 -14.150 -2.384 1.00 0.00 O ATOM 733 ND2 ASN A 183 17.227 -13.112 -4.137 1.00 0.00 N ATOM 0 H ASN A 183 21.686 -11.664 -4.286 1.00 0.00 H new ATOM 0 HA ASN A 183 20.792 -14.259 -3.800 1.00 0.00 H new ATOM 0 HB2 ASN A 183 19.986 -12.293 -2.606 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.297 -11.632 -4.076 1.00 0.00 H new ATOM 0 HD21 ASN A 183 16.346 -13.611 -4.015 1.00 0.00 H new ATOM 0 HD22 ASN A 183 17.329 -12.434 -4.893 1.00 0.00 H new ATOM 740 N HIS A 184 19.811 -12.897 -6.665 1.00 0.00 N ATOM 741 CA HIS A 184 19.285 -13.176 -7.981 1.00 0.00 C ATOM 742 C HIS A 184 20.203 -14.154 -8.708 1.00 0.00 C ATOM 743 O HIS A 184 19.736 -15.159 -9.227 1.00 0.00 O ATOM 744 CB HIS A 184 19.176 -11.875 -8.785 1.00 0.00 C ATOM 745 CG HIS A 184 18.609 -12.113 -10.160 1.00 0.00 C ATOM 746 ND1 HIS A 184 19.089 -11.852 -11.416 1.00 0.00 N flip ATOM 747 CD2 HIS A 184 17.377 -12.724 -10.370 1.00 0.00 C flip ATOM 748 CE1 HIS A 184 18.208 -12.268 -12.401 1.00 0.00 C flip ATOM 749 NE2 HIS A 184 17.199 -12.786 -11.706 1.00 0.00 N flip ATOM 0 H HIS A 184 20.114 -11.932 -6.536 1.00 0.00 H new ATOM 0 HA HIS A 184 18.294 -13.620 -7.882 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.543 -11.168 -8.248 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.162 -11.418 -8.872 1.00 0.00 H new ATOM 0 HD2 HIS A 184 16.696 -13.080 -9.611 1.00 0.00 H new ATOM 0 HE1 HIS A 184 18.315 -12.191 -13.473 1.00 0.00 H new ATOM 0 HE2 HIS A 184 16.370 -13.191 -12.141 1.00 0.00 H new ATOM 757 N TRP A 185 21.512 -13.839 -8.753 1.00 0.00 N ATOM 758 CA TRP A 185 22.484 -14.651 -9.468 1.00 0.00 C ATOM 759 C TRP A 185 22.316 -16.124 -9.099 1.00 0.00 C ATOM 760 O TRP A 185 22.073 -16.957 -9.964 1.00 0.00 O ATOM 761 CB TRP A 185 23.916 -14.171 -9.190 1.00 0.00 C ATOM 762 CG TRP A 185 24.930 -14.752 -10.127 1.00 0.00 C ATOM 763 CD1 TRP A 185 25.973 -15.534 -9.789 1.00 0.00 C ATOM 764 CD2 TRP A 185 25.004 -14.620 -11.578 1.00 0.00 C ATOM 765 NE1 TRP A 185 26.692 -15.903 -10.903 1.00 0.00 N ATOM 766 CE2 TRP A 185 26.134 -15.362 -12.045 1.00 0.00 C ATOM 767 CE3 TRP A 185 24.232 -13.949 -12.556 1.00 0.00 C ATOM 768 CZ2 TRP A 185 26.471 -15.434 -13.398 1.00 0.00 C ATOM 769 CZ3 TRP A 185 24.573 -14.023 -13.922 1.00 0.00 C ATOM 770 CH2 TRP A 185 25.688 -14.770 -14.337 1.00 0.00 C ATOM 0 H TRP A 185 21.911 -13.019 -8.295 1.00 0.00 H new ATOM 0 HA TRP A 185 22.304 -14.542 -10.537 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.947 -13.084 -9.261 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.186 -14.431 -8.167 1.00 0.00 H new ATOM 0 HD1 TRP A 185 26.213 -15.832 -8.779 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.523 -16.495 -10.888 1.00 0.00 H new ATOM 0 HE3 TRP A 185 23.371 -13.373 -12.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.334 -16.001 -13.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 23.973 -13.502 -14.654 1.00 0.00 H new ATOM 0 HH2 TRP A 185 25.938 -14.829 -15.386 1.00 0.00 H new ATOM 781 N ASN A 186 22.445 -16.441 -7.813 1.00 0.00 N ATOM 782 CA ASN A 186 22.330 -17.813 -7.345 1.00 0.00 C ATOM 783 C ASN A 186 20.920 -18.355 -7.595 1.00 0.00 C ATOM 784 O ASN A 186 20.768 -19.483 -8.059 1.00 0.00 O ATOM 785 CB ASN A 186 22.670 -17.861 -5.853 1.00 0.00 C ATOM 786 CG ASN A 186 22.492 -19.271 -5.298 1.00 0.00 C ATOM 787 OD1 ASN A 186 23.407 -20.086 -5.367 1.00 0.00 O ATOM 788 ND2 ASN A 186 21.313 -19.557 -4.746 1.00 0.00 N ATOM 0 H ASN A 186 22.630 -15.760 -7.076 1.00 0.00 H new ATOM 0 HA ASN A 186 23.029 -18.442 -7.897 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.698 -17.533 -5.700 1.00 0.00 H new ATOM 0 HB3 ASN A 186 22.029 -17.168 -5.308 1.00 0.00 H new ATOM 0 HD21 ASN A 186 21.143 -20.485 -4.359 1.00 0.00 H new ATOM 0 HD22 ASN A 186 20.581 -18.848 -4.711 1.00 0.00 H new ATOM 795 N SER A 187 19.888 -17.559 -7.277 1.00 0.00 N ATOM 796 CA SER A 187 18.504 -18.001 -7.413 1.00 0.00 C ATOM 797 C SER A 187 17.977 -17.799 -8.842 1.00 0.00 C ATOM 798 O SER A 187 16.800 -17.483 -9.018 1.00 0.00 O ATOM 799 CB SER A 187 17.636 -17.233 -6.408 1.00 0.00 C ATOM 800 OG SER A 187 16.360 -17.832 -6.330 1.00 0.00 O ATOM 0 H SER A 187 19.992 -16.607 -6.925 1.00 0.00 H new ATOM 0 HA SER A 187 18.459 -19.070 -7.205 1.00 0.00 H new ATOM 0 HB2 SER A 187 18.110 -17.235 -5.427 1.00 0.00 H new ATOM 0 HB3 SER A 187 17.542 -16.191 -6.715 1.00 0.00 H new ATOM 0 HG SER A 187 16.026 -18.009 -7.234 1.00 0.00 H new ATOM 806 N THR A 188 18.828 -17.988 -9.864 1.00 0.00 N ATOM 807 CA THR A 188 18.386 -17.865 -11.252 1.00 0.00 C ATOM 808 C THR A 188 19.355 -18.576 -12.196 1.00 0.00 C ATOM 809 O THR A 188 18.932 -19.121 -13.215 1.00 0.00 O ATOM 810 CB THR A 188 18.184 -16.381 -11.627 1.00 0.00 C ATOM 811 OG1 THR A 188 17.175 -16.280 -12.609 1.00 0.00 O ATOM 812 CG2 THR A 188 19.475 -15.770 -12.175 1.00 0.00 C ATOM 0 H THR A 188 19.814 -18.224 -9.752 1.00 0.00 H new ATOM 0 HA THR A 188 17.420 -18.359 -11.359 1.00 0.00 H new ATOM 0 HB THR A 188 17.896 -15.837 -10.727 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.044 -15.339 -12.848 1.00 0.00 H new ATOM 0 HG21 THR A 188 19.303 -14.724 -12.431 1.00 0.00 H new ATOM 0 HG22 THR A 188 20.258 -15.835 -11.419 1.00 0.00 H new ATOM 0 HG23 THR A 188 19.786 -16.315 -13.066 1.00 0.00 H new ATOM 820 N MET A 189 20.649 -18.575 -11.864 1.00 0.00 N ATOM 821 CA MET A 189 21.654 -19.230 -12.680 1.00 0.00 C ATOM 822 C MET A 189 21.949 -20.621 -12.116 1.00 0.00 C ATOM 823 O MET A 189 21.261 -21.093 -11.213 1.00 0.00 O ATOM 824 CB MET A 189 22.915 -18.364 -12.707 1.00 0.00 C ATOM 825 CG MET A 189 22.676 -17.117 -13.561 1.00 0.00 C ATOM 826 SD MET A 189 22.482 -17.462 -15.329 1.00 0.00 S ATOM 827 CE MET A 189 21.658 -15.933 -15.833 1.00 0.00 C ATOM 0 H MET A 189 21.019 -18.122 -11.028 1.00 0.00 H new ATOM 0 HA MET A 189 21.292 -19.351 -13.701 1.00 0.00 H new ATOM 0 HB2 MET A 189 23.188 -18.073 -11.693 1.00 0.00 H new ATOM 0 HB3 MET A 189 23.750 -18.936 -13.110 1.00 0.00 H new ATOM 0 HG2 MET A 189 21.782 -16.608 -13.200 1.00 0.00 H new ATOM 0 HG3 MET A 189 23.511 -16.430 -13.425 1.00 0.00 H new ATOM 0 HE1 MET A 189 21.457 -15.964 -16.904 1.00 0.00 H new ATOM 0 HE2 MET A 189 20.719 -15.830 -15.290 1.00 0.00 H new ATOM 0 HE3 MET A 189 22.302 -15.082 -15.610 1.00 0.00 H new