USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 366 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= -0.889 K(o=-0.61,f=-1.4) USER MOD Set 1.2: A 188 THR OG1 : rot 148:sc= 0.274 USER MOD Set 2.1: A 179 ASN : amide:sc= 1.04 K(o=2.3,f=-4.2) USER MOD Set 2.2: A 182 LYS NZ :NH3+ -147:sc= 1.23 (180deg=0) USER MOD Set 2.3: A 183 ASN : amide:sc= 0 X(o=2.3,f=2.3) USER MOD Set 3.1: A 159 HIS : no HE2:sc= -0.374 K(o=-0.25,f=-4.8) USER MOD Set 3.2: A 164 ASN : amide:sc= 0.126 K(o=-0.25,f=-1) USER MOD Single : A 148 THR OG1 : rot -66:sc= 1.08 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 160 LYS NZ :NH3+ -157:sc= 0.342 (180deg=-0.0701) USER MOD Single : A 171 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0 USER MOD Single : A 186 ASN : amide:sc= -0.119 K(o=-0.12,f=-2.1!) USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 189 MET CE :methyl 176:sc= -1.49 (180deg=-1.61) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.543 -10.246 -12.167 1.00 0.00 N ATOM 89 CA TRP A 147 14.548 -9.713 -13.080 1.00 0.00 C ATOM 90 C TRP A 147 14.168 -10.039 -14.522 1.00 0.00 C ATOM 91 O TRP A 147 13.485 -11.032 -14.775 1.00 0.00 O ATOM 92 CB TRP A 147 15.910 -10.320 -12.739 1.00 0.00 C ATOM 93 CG TRP A 147 16.627 -9.657 -11.606 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.288 -9.729 -10.314 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.817 -8.823 -11.643 1.00 0.00 C ATOM 96 NE1 TRP A 147 17.160 -9.011 -9.532 1.00 0.00 N ATOM 97 CE2 TRP A 147 18.136 -8.423 -10.309 1.00 0.00 C ATOM 98 CE3 TRP A 147 18.665 -8.364 -12.666 1.00 0.00 C ATOM 99 CZ2 TRP A 147 19.234 -7.614 -10.013 1.00 0.00 C ATOM 100 CZ3 TRP A 147 19.767 -7.538 -12.376 1.00 0.00 C ATOM 101 CH2 TRP A 147 20.052 -7.165 -11.056 1.00 0.00 C ATOM 0 HA TRP A 147 14.601 -8.629 -12.974 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.772 -11.374 -12.496 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.543 -10.278 -13.625 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.440 -10.280 -9.935 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.095 -8.925 -8.518 1.00 0.00 H new ATOM 0 HE3 TRP A 147 18.468 -8.649 -13.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.450 -7.338 -8.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 20.399 -7.188 -13.179 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.901 -6.532 -10.844 1.00 0.00 H new ATOM 112 N THR A 148 14.617 -9.196 -15.463 1.00 0.00 N ATOM 113 CA THR A 148 14.344 -9.385 -16.884 1.00 0.00 C ATOM 114 C THR A 148 15.624 -9.822 -17.597 1.00 0.00 C ATOM 115 O THR A 148 16.726 -9.541 -17.126 1.00 0.00 O ATOM 116 CB THR A 148 13.812 -8.076 -17.481 1.00 0.00 C ATOM 117 OG1 THR A 148 14.774 -7.055 -17.328 1.00 0.00 O ATOM 118 CG2 THR A 148 12.519 -7.667 -16.771 1.00 0.00 C ATOM 0 H THR A 148 15.177 -8.369 -15.256 1.00 0.00 H new ATOM 0 HA THR A 148 13.590 -10.161 -17.016 1.00 0.00 H new ATOM 0 HB THR A 148 13.609 -8.227 -18.541 1.00 0.00 H new ATOM 0 HG1 THR A 148 14.895 -6.860 -16.375 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.147 -6.737 -17.200 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.771 -8.450 -16.898 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.717 -7.523 -15.709 1.00 0.00 H new ATOM 126 N GLU A 149 15.479 -10.511 -18.737 1.00 0.00 N ATOM 127 CA GLU A 149 16.626 -10.994 -19.496 1.00 0.00 C ATOM 128 C GLU A 149 17.530 -9.823 -19.901 1.00 0.00 C ATOM 129 O GLU A 149 18.741 -9.996 -20.041 1.00 0.00 O ATOM 130 CB GLU A 149 16.143 -11.793 -20.721 1.00 0.00 C ATOM 131 CG GLU A 149 15.597 -10.862 -21.819 1.00 0.00 C ATOM 132 CD GLU A 149 16.706 -10.411 -22.773 1.00 0.00 C ATOM 133 OE1 GLU A 149 17.455 -11.296 -23.238 1.00 0.00 O ATOM 134 OE2 GLU A 149 16.787 -9.189 -23.023 1.00 0.00 O ATOM 0 H GLU A 149 14.575 -10.743 -19.149 1.00 0.00 H new ATOM 0 HA GLU A 149 17.219 -11.662 -18.871 1.00 0.00 H new ATOM 0 HB2 GLU A 149 16.967 -12.384 -21.120 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.366 -12.494 -20.417 1.00 0.00 H new ATOM 0 HG2 GLU A 149 14.819 -11.378 -22.382 1.00 0.00 H new ATOM 0 HG3 GLU A 149 15.133 -9.989 -21.360 1.00 0.00 H new ATOM 141 N GLU A 150 16.938 -8.631 -20.081 1.00 0.00 N ATOM 142 CA GLU A 150 17.681 -7.441 -20.464 1.00 0.00 C ATOM 143 C GLU A 150 18.703 -7.088 -19.384 1.00 0.00 C ATOM 144 O GLU A 150 19.757 -6.535 -19.686 1.00 0.00 O ATOM 145 CB GLU A 150 16.698 -6.287 -20.695 1.00 0.00 C ATOM 146 CG GLU A 150 17.425 -5.101 -21.338 1.00 0.00 C ATOM 147 CD GLU A 150 16.435 -4.024 -21.765 1.00 0.00 C ATOM 148 OE1 GLU A 150 16.140 -3.156 -20.916 1.00 0.00 O ATOM 149 OE2 GLU A 150 15.991 -4.091 -22.932 1.00 0.00 O ATOM 0 H GLU A 150 15.937 -8.476 -19.964 1.00 0.00 H new ATOM 0 HA GLU A 150 18.227 -7.628 -21.389 1.00 0.00 H new ATOM 0 HB2 GLU A 150 15.882 -6.616 -21.338 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.254 -5.982 -19.748 1.00 0.00 H new ATOM 0 HG2 GLU A 150 18.142 -4.682 -20.632 1.00 0.00 H new ATOM 0 HG3 GLU A 150 17.993 -5.443 -22.203 1.00 0.00 H new ATOM 156 N GLU A 151 18.392 -7.415 -18.128 1.00 0.00 N ATOM 157 CA GLU A 151 19.285 -7.151 -17.017 1.00 0.00 C ATOM 158 C GLU A 151 20.295 -8.295 -16.887 1.00 0.00 C ATOM 159 O GLU A 151 21.495 -8.057 -16.754 1.00 0.00 O ATOM 160 CB GLU A 151 18.467 -7.024 -15.732 1.00 0.00 C ATOM 161 CG GLU A 151 17.519 -5.826 -15.798 1.00 0.00 C ATOM 162 CD GLU A 151 16.548 -5.860 -14.622 1.00 0.00 C ATOM 163 OE1 GLU A 151 15.558 -6.621 -14.722 1.00 0.00 O ATOM 164 OE2 GLU A 151 16.812 -5.133 -13.638 1.00 0.00 O ATOM 0 H GLU A 151 17.517 -7.867 -17.862 1.00 0.00 H new ATOM 0 HA GLU A 151 19.826 -6.221 -17.192 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.894 -7.937 -15.571 1.00 0.00 H new ATOM 0 HB3 GLU A 151 19.138 -6.914 -14.880 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.091 -4.898 -15.780 1.00 0.00 H new ATOM 0 HG3 GLU A 151 16.966 -5.842 -16.737 1.00 0.00 H new ATOM 171 N ASP A 152 19.800 -9.541 -16.917 1.00 0.00 N ATOM 172 CA ASP A 152 20.641 -10.726 -16.774 1.00 0.00 C ATOM 173 C ASP A 152 21.785 -10.718 -17.791 1.00 0.00 C ATOM 174 O ASP A 152 22.934 -10.961 -17.426 1.00 0.00 O ATOM 175 CB ASP A 152 19.787 -11.986 -16.960 1.00 0.00 C ATOM 176 CG ASP A 152 18.924 -12.265 -15.733 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.122 -11.374 -15.385 1.00 0.00 O ATOM 178 OD2 ASP A 152 19.083 -13.370 -15.169 1.00 0.00 O ATOM 0 H ASP A 152 18.809 -9.749 -17.041 1.00 0.00 H new ATOM 0 HA ASP A 152 21.077 -10.720 -15.775 1.00 0.00 H new ATOM 0 HB2 ASP A 152 19.149 -11.868 -17.835 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.435 -12.841 -17.152 1.00 0.00 H new ATOM 183 N ARG A 153 21.473 -10.454 -19.069 1.00 0.00 N ATOM 184 CA ARG A 153 22.479 -10.478 -20.127 1.00 0.00 C ATOM 185 C ARG A 153 23.597 -9.463 -19.853 1.00 0.00 C ATOM 186 O ARG A 153 24.745 -9.701 -20.225 1.00 0.00 O ATOM 187 CB ARG A 153 21.812 -10.229 -21.488 1.00 0.00 C ATOM 188 CG ARG A 153 21.324 -8.781 -21.593 1.00 0.00 C ATOM 189 CD ARG A 153 20.267 -8.671 -22.694 1.00 0.00 C ATOM 190 NE ARG A 153 20.807 -9.074 -23.997 1.00 0.00 N ATOM 191 CZ ARG A 153 20.036 -9.269 -25.083 1.00 0.00 C ATOM 192 NH1 ARG A 153 18.702 -9.174 -24.998 1.00 0.00 N ATOM 193 NH2 ARG A 153 20.608 -9.559 -26.259 1.00 0.00 N ATOM 0 H ARG A 153 20.532 -10.223 -19.388 1.00 0.00 H new ATOM 0 HA ARG A 153 22.943 -11.464 -20.147 1.00 0.00 H new ATOM 0 HB2 ARG A 153 22.520 -10.439 -22.290 1.00 0.00 H new ATOM 0 HB3 ARG A 153 20.972 -10.912 -21.618 1.00 0.00 H new ATOM 0 HG2 ARG A 153 20.905 -8.458 -20.640 1.00 0.00 H new ATOM 0 HG3 ARG A 153 22.162 -8.120 -21.813 1.00 0.00 H new ATOM 0 HD2 ARG A 153 19.412 -9.298 -22.443 1.00 0.00 H new ATOM 0 HD3 ARG A 153 19.904 -7.645 -22.751 1.00 0.00 H new ATOM 0 HE ARG A 153 21.814 -9.213 -24.084 1.00 0.00 H new ATOM 0 HH11 ARG A 153 18.262 -8.952 -24.105 1.00 0.00 H new ATOM 0 HH12 ARG A 153 18.126 -9.323 -25.827 1.00 0.00 H new ATOM 0 HH21 ARG A 153 21.623 -9.631 -26.328 1.00 0.00 H new ATOM 0 HH22 ARG A 153 20.028 -9.708 -27.085 1.00 0.00 H new ATOM 207 N ILE A 154 23.274 -8.336 -19.201 1.00 0.00 N ATOM 208 CA ILE A 154 24.273 -7.322 -18.887 1.00 0.00 C ATOM 209 C ILE A 154 25.234 -7.872 -17.835 1.00 0.00 C ATOM 210 O ILE A 154 26.453 -7.765 -17.987 1.00 0.00 O ATOM 211 CB ILE A 154 23.583 -6.038 -18.386 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.733 -5.414 -19.513 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.636 -5.032 -17.901 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.614 -4.672 -20.527 1.00 0.00 C ATOM 0 H ILE A 154 22.331 -8.111 -18.885 1.00 0.00 H new ATOM 0 HA ILE A 154 24.839 -7.072 -19.784 1.00 0.00 H new ATOM 0 HB ILE A 154 22.927 -6.293 -17.554 1.00 0.00 H new ATOM 0 HG12 ILE A 154 22.168 -6.196 -20.021 1.00 0.00 H new ATOM 0 HG13 ILE A 154 22.007 -4.723 -19.084 1.00 0.00 H new ATOM 0 HG21 ILE A 154 24.140 -4.128 -17.549 1.00 0.00 H new ATOM 0 HG22 ILE A 154 25.211 -5.472 -17.086 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.306 -4.781 -18.724 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.987 -4.243 -21.309 1.00 0.00 H new ATOM 0 HD12 ILE A 154 24.159 -3.875 -20.021 1.00 0.00 H new ATOM 0 HD13 ILE A 154 24.323 -5.370 -20.972 1.00 0.00 H new ATOM 226 N ILE A 155 24.688 -8.465 -16.765 1.00 0.00 N ATOM 227 CA ILE A 155 25.510 -9.021 -15.700 1.00 0.00 C ATOM 228 C ILE A 155 26.322 -10.198 -16.238 1.00 0.00 C ATOM 229 O ILE A 155 27.437 -10.418 -15.803 1.00 0.00 O ATOM 230 CB ILE A 155 24.635 -9.454 -14.511 1.00 0.00 C ATOM 231 CG1 ILE A 155 23.831 -8.253 -13.991 1.00 0.00 C ATOM 232 CG2 ILE A 155 25.541 -9.979 -13.383 1.00 0.00 C ATOM 233 CD1 ILE A 155 22.681 -8.736 -13.109 1.00 0.00 C ATOM 0 H ILE A 155 23.684 -8.568 -16.621 1.00 0.00 H new ATOM 0 HA ILE A 155 26.199 -8.255 -15.344 1.00 0.00 H new ATOM 0 HB ILE A 155 23.948 -10.236 -14.834 1.00 0.00 H new ATOM 0 HG12 ILE A 155 24.481 -7.588 -13.423 1.00 0.00 H new ATOM 0 HG13 ILE A 155 23.440 -7.676 -14.829 1.00 0.00 H new ATOM 0 HG21 ILE A 155 24.927 -10.288 -12.537 1.00 0.00 H new ATOM 0 HG22 ILE A 155 26.115 -10.832 -13.745 1.00 0.00 H new ATOM 0 HG23 ILE A 155 26.223 -9.190 -13.067 1.00 0.00 H new ATOM 0 HD11 ILE A 155 22.116 -7.878 -12.745 1.00 0.00 H new ATOM 0 HD12 ILE A 155 22.024 -9.383 -13.690 1.00 0.00 H new ATOM 0 HD13 ILE A 155 23.081 -9.293 -12.262 1.00 0.00 H new ATOM 245 N TYR A 156 25.768 -10.954 -17.190 1.00 0.00 N ATOM 246 CA TYR A 156 26.473 -12.086 -17.775 1.00 0.00 C ATOM 247 C TYR A 156 27.781 -11.624 -18.424 1.00 0.00 C ATOM 248 O TYR A 156 28.746 -12.385 -18.484 1.00 0.00 O ATOM 249 CB TYR A 156 25.569 -12.771 -18.800 1.00 0.00 C ATOM 250 CG TYR A 156 26.130 -14.079 -19.317 1.00 0.00 C ATOM 251 CD1 TYR A 156 26.212 -15.194 -18.463 1.00 0.00 C ATOM 252 CD2 TYR A 156 26.566 -14.183 -20.650 1.00 0.00 C ATOM 253 CE1 TYR A 156 26.724 -16.411 -18.942 1.00 0.00 C ATOM 254 CE2 TYR A 156 27.078 -15.401 -21.129 1.00 0.00 C ATOM 255 CZ TYR A 156 27.154 -16.516 -20.276 1.00 0.00 C ATOM 256 OH TYR A 156 27.645 -17.697 -20.745 1.00 0.00 O ATOM 0 H TYR A 156 24.834 -10.799 -17.568 1.00 0.00 H new ATOM 0 HA TYR A 156 26.724 -12.800 -16.991 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.594 -12.955 -18.348 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.408 -12.096 -19.640 1.00 0.00 H new ATOM 0 HD1 TYR A 156 25.881 -15.114 -17.438 1.00 0.00 H new ATOM 0 HD2 TYR A 156 26.507 -13.327 -21.306 1.00 0.00 H new ATOM 0 HE1 TYR A 156 26.787 -17.266 -18.285 1.00 0.00 H new ATOM 0 HE2 TYR A 156 27.413 -15.480 -22.153 1.00 0.00 H new ATOM 0 HH TYR A 156 27.895 -17.596 -21.687 1.00 0.00 H new ATOM 266 N GLN A 157 27.814 -10.376 -18.909 1.00 0.00 N ATOM 267 CA GLN A 157 29.003 -9.822 -19.533 1.00 0.00 C ATOM 268 C GLN A 157 29.933 -9.249 -18.460 1.00 0.00 C ATOM 269 O GLN A 157 31.117 -9.581 -18.420 1.00 0.00 O ATOM 270 CB GLN A 157 28.585 -8.736 -20.530 1.00 0.00 C ATOM 271 CG GLN A 157 29.814 -8.222 -21.287 1.00 0.00 C ATOM 272 CD GLN A 157 29.431 -7.136 -22.288 1.00 0.00 C ATOM 273 OE1 GLN A 157 28.269 -6.749 -22.379 1.00 0.00 O ATOM 274 NE2 GLN A 157 30.413 -6.645 -23.043 1.00 0.00 N ATOM 0 H GLN A 157 27.021 -9.735 -18.876 1.00 0.00 H new ATOM 0 HA GLN A 157 29.542 -10.604 -20.068 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.855 -9.137 -21.233 1.00 0.00 H new ATOM 0 HB3 GLN A 157 28.101 -7.913 -20.003 1.00 0.00 H new ATOM 0 HG2 GLN A 157 30.542 -7.827 -20.578 1.00 0.00 H new ATOM 0 HG3 GLN A 157 30.295 -9.049 -21.810 1.00 0.00 H new ATOM 0 HE21 GLN A 157 31.364 -6.996 -22.934 1.00 0.00 H new ATOM 0 HE22 GLN A 157 30.213 -5.918 -23.730 1.00 0.00 H new ATOM 283 N ALA A 158 29.390 -8.381 -17.597 1.00 0.00 N ATOM 284 CA ALA A 158 30.169 -7.728 -16.551 1.00 0.00 C ATOM 285 C ALA A 158 30.789 -8.754 -15.599 1.00 0.00 C ATOM 286 O ALA A 158 31.945 -8.618 -15.217 1.00 0.00 O ATOM 287 CB ALA A 158 29.262 -6.766 -15.782 1.00 0.00 C ATOM 0 H ALA A 158 28.405 -8.117 -17.608 1.00 0.00 H new ATOM 0 HA ALA A 158 30.987 -7.174 -17.012 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.836 -6.273 -14.998 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.864 -6.016 -16.466 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.439 -7.322 -15.334 1.00 0.00 H new ATOM 293 N HIS A 159 30.018 -9.773 -15.213 1.00 0.00 N ATOM 294 CA HIS A 159 30.482 -10.797 -14.288 1.00 0.00 C ATOM 295 C HIS A 159 31.547 -11.667 -14.949 1.00 0.00 C ATOM 296 O HIS A 159 32.532 -12.025 -14.320 1.00 0.00 O ATOM 297 CB HIS A 159 29.293 -11.648 -13.836 1.00 0.00 C ATOM 298 CG HIS A 159 29.653 -12.620 -12.743 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.430 -13.751 -12.966 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.355 -12.657 -11.406 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.549 -14.380 -11.780 1.00 0.00 C ATOM 302 NE2 HIS A 159 29.914 -13.762 -10.785 1.00 0.00 N ATOM 0 H HIS A 159 29.059 -9.907 -15.534 1.00 0.00 H new ATOM 0 HA HIS A 159 30.930 -10.320 -13.416 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.496 -10.993 -13.485 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.900 -12.199 -14.691 1.00 0.00 H new ATOM 0 HD1 HIS A 159 30.832 -14.047 -13.855 1.00 0.00 H new ATOM 0 HD2 HIS A 159 28.757 -11.915 -10.898 1.00 0.00 H new ATOM 0 HE1 HIS A 159 31.105 -15.296 -11.649 1.00 0.00 H new ATOM 310 N LYS A 160 31.350 -12.012 -16.220 1.00 0.00 N ATOM 311 CA LYS A 160 32.303 -12.837 -16.944 1.00 0.00 C ATOM 312 C LYS A 160 33.655 -12.118 -17.048 1.00 0.00 C ATOM 313 O LYS A 160 34.693 -12.768 -17.153 1.00 0.00 O ATOM 314 CB LYS A 160 31.728 -13.152 -18.328 1.00 0.00 C ATOM 315 CG LYS A 160 32.743 -13.942 -19.160 1.00 0.00 C ATOM 316 CD LYS A 160 32.037 -14.635 -20.333 1.00 0.00 C ATOM 317 CE LYS A 160 31.322 -13.602 -21.218 1.00 0.00 C ATOM 318 NZ LYS A 160 29.911 -13.426 -20.813 1.00 0.00 N ATOM 0 H LYS A 160 30.536 -11.730 -16.767 1.00 0.00 H new ATOM 0 HA LYS A 160 32.472 -13.772 -16.411 1.00 0.00 H new ATOM 0 HB2 LYS A 160 30.807 -13.726 -18.224 1.00 0.00 H new ATOM 0 HB3 LYS A 160 31.470 -12.226 -18.841 1.00 0.00 H new ATOM 0 HG2 LYS A 160 33.517 -13.273 -19.535 1.00 0.00 H new ATOM 0 HG3 LYS A 160 33.239 -14.684 -18.534 1.00 0.00 H new ATOM 0 HD2 LYS A 160 32.764 -15.189 -20.926 1.00 0.00 H new ATOM 0 HD3 LYS A 160 31.316 -15.359 -19.954 1.00 0.00 H new ATOM 0 HE2 LYS A 160 31.842 -12.646 -21.155 1.00 0.00 H new ATOM 0 HE3 LYS A 160 31.366 -13.921 -22.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 29.363 -13.054 -21.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 29.517 -14.343 -20.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 29.859 -12.757 -20.018 1.00 0.00 H new ATOM 332 N ARG A 161 33.636 -10.778 -17.019 1.00 0.00 N ATOM 333 CA ARG A 161 34.847 -9.979 -17.125 1.00 0.00 C ATOM 334 C ARG A 161 35.462 -9.724 -15.741 1.00 0.00 C ATOM 335 O ARG A 161 36.658 -9.934 -15.549 1.00 0.00 O ATOM 336 CB ARG A 161 34.495 -8.654 -17.813 1.00 0.00 C ATOM 337 CG ARG A 161 35.761 -7.822 -18.039 1.00 0.00 C ATOM 338 CD ARG A 161 35.391 -6.516 -18.744 1.00 0.00 C ATOM 339 NE ARG A 161 36.578 -5.681 -18.958 1.00 0.00 N ATOM 340 CZ ARG A 161 36.526 -4.465 -19.530 1.00 0.00 C ATOM 341 NH1 ARG A 161 35.352 -3.958 -19.931 1.00 0.00 N ATOM 342 NH2 ARG A 161 37.651 -3.758 -19.699 1.00 0.00 N ATOM 0 H ARG A 161 32.782 -10.228 -16.922 1.00 0.00 H new ATOM 0 HA ARG A 161 35.589 -10.518 -17.714 1.00 0.00 H new ATOM 0 HB2 ARG A 161 34.005 -8.850 -18.767 1.00 0.00 H new ATOM 0 HB3 ARG A 161 33.788 -8.094 -17.200 1.00 0.00 H new ATOM 0 HG2 ARG A 161 36.245 -7.609 -17.086 1.00 0.00 H new ATOM 0 HG3 ARG A 161 36.476 -8.383 -18.641 1.00 0.00 H new ATOM 0 HD2 ARG A 161 34.919 -6.736 -19.702 1.00 0.00 H new ATOM 0 HD3 ARG A 161 34.661 -5.970 -18.147 1.00 0.00 H new ATOM 0 HE ARG A 161 37.485 -6.039 -18.659 1.00 0.00 H new ATOM 0 HH11 ARG A 161 34.494 -4.495 -19.803 1.00 0.00 H new ATOM 0 HH12 ARG A 161 35.316 -3.035 -20.364 1.00 0.00 H new ATOM 0 HH21 ARG A 161 38.545 -4.142 -19.394 1.00 0.00 H new ATOM 0 HH22 ARG A 161 37.613 -2.836 -20.133 1.00 0.00 H new ATOM 356 N LEU A 162 34.645 -9.251 -14.789 1.00 0.00 N ATOM 357 CA LEU A 162 35.119 -8.890 -13.455 1.00 0.00 C ATOM 358 C LEU A 162 34.946 -10.051 -12.473 1.00 0.00 C ATOM 359 O LEU A 162 35.907 -10.459 -11.821 1.00 0.00 O ATOM 360 CB LEU A 162 34.342 -7.657 -12.959 1.00 0.00 C ATOM 361 CG LEU A 162 34.461 -6.495 -13.961 1.00 0.00 C ATOM 362 CD1 LEU A 162 33.578 -5.336 -13.493 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.916 -6.020 -14.049 1.00 0.00 C ATOM 0 H LEU A 162 33.644 -9.110 -14.925 1.00 0.00 H new ATOM 0 HA LEU A 162 36.183 -8.659 -13.512 1.00 0.00 H new ATOM 0 HB2 LEU A 162 33.292 -7.916 -12.818 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.727 -7.346 -11.988 1.00 0.00 H new ATOM 0 HG LEU A 162 34.139 -6.836 -14.945 1.00 0.00 H new ATOM 0 HD11 LEU A 162 33.658 -4.509 -14.199 1.00 0.00 H new ATOM 0 HD12 LEU A 162 32.541 -5.668 -13.439 1.00 0.00 H new ATOM 0 HD13 LEU A 162 33.905 -5.004 -12.508 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.988 -5.198 -14.761 1.00 0.00 H new ATOM 0 HD22 LEU A 162 36.248 -5.681 -13.068 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.548 -6.844 -14.381 1.00 0.00 H new ATOM 375 N GLY A 163 33.718 -10.568 -12.361 1.00 0.00 N ATOM 376 CA GLY A 163 33.397 -11.650 -11.438 1.00 0.00 C ATOM 377 C GLY A 163 32.261 -11.208 -10.526 1.00 0.00 C ATOM 378 O GLY A 163 31.390 -10.449 -10.947 1.00 0.00 O ATOM 0 H GLY A 163 32.922 -10.245 -12.910 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.108 -12.543 -11.992 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.274 -11.912 -10.846 1.00 0.00 H new ATOM 382 N ASN A 164 32.273 -11.670 -9.270 1.00 0.00 N ATOM 383 CA ASN A 164 31.246 -11.303 -8.297 1.00 0.00 C ATOM 384 C ASN A 164 31.528 -9.903 -7.739 1.00 0.00 C ATOM 385 O ASN A 164 31.355 -9.663 -6.545 1.00 0.00 O ATOM 386 CB ASN A 164 31.227 -12.337 -7.162 1.00 0.00 C ATOM 387 CG ASN A 164 31.243 -13.763 -7.707 1.00 0.00 C ATOM 388 OD1 ASN A 164 32.302 -14.283 -8.056 1.00 0.00 O ATOM 389 ND2 ASN A 164 30.073 -14.395 -7.780 1.00 0.00 N ATOM 0 H ASN A 164 32.987 -12.301 -8.906 1.00 0.00 H new ATOM 0 HA ASN A 164 30.271 -11.290 -8.785 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.090 -12.184 -6.514 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.338 -12.190 -6.549 1.00 0.00 H new ATOM 0 HD21 ASN A 164 30.030 -15.350 -8.137 1.00 0.00 H new ATOM 0 HD22 ASN A 164 29.220 -13.924 -7.479 1.00 0.00 H new ATOM 396 N ARG A 165 31.968 -8.978 -8.604 1.00 0.00 N ATOM 397 CA ARG A 165 32.290 -7.622 -8.195 1.00 0.00 C ATOM 398 C ARG A 165 31.028 -6.771 -8.252 1.00 0.00 C ATOM 399 O ARG A 165 30.920 -5.864 -9.080 1.00 0.00 O ATOM 400 CB ARG A 165 33.378 -7.046 -9.117 1.00 0.00 C ATOM 401 CG ARG A 165 34.570 -8.010 -9.227 1.00 0.00 C ATOM 402 CD ARG A 165 35.173 -8.282 -7.845 1.00 0.00 C ATOM 403 NE ARG A 165 36.447 -9.006 -7.968 1.00 0.00 N ATOM 404 CZ ARG A 165 36.528 -10.311 -8.290 1.00 0.00 C ATOM 405 NH1 ARG A 165 35.415 -11.047 -8.418 1.00 0.00 N ATOM 406 NH2 ARG A 165 37.726 -10.876 -8.484 1.00 0.00 N ATOM 0 H ARG A 165 32.107 -9.157 -9.599 1.00 0.00 H new ATOM 0 HA ARG A 165 32.671 -7.622 -7.174 1.00 0.00 H new ATOM 0 HB2 ARG A 165 32.961 -6.862 -10.107 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.717 -6.085 -8.730 1.00 0.00 H new ATOM 0 HG2 ARG A 165 34.246 -8.947 -9.679 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.329 -7.585 -9.884 1.00 0.00 H new ATOM 0 HD2 ARG A 165 35.333 -7.340 -7.321 1.00 0.00 H new ATOM 0 HD3 ARG A 165 34.474 -8.865 -7.246 1.00 0.00 H new ATOM 0 HE ARG A 165 37.313 -8.494 -7.801 1.00 0.00 H new ATOM 0 HH11 ARG A 165 34.501 -10.619 -8.271 1.00 0.00 H new ATOM 0 HH12 ARG A 165 35.482 -12.035 -8.662 1.00 0.00 H new ATOM 0 HH21 ARG A 165 38.575 -10.318 -8.388 1.00 0.00 H new ATOM 0 HH22 ARG A 165 37.790 -11.864 -8.728 1.00 0.00 H new ATOM 420 N TRP A 166 30.066 -7.064 -7.371 1.00 0.00 N ATOM 421 CA TRP A 166 28.813 -6.326 -7.334 1.00 0.00 C ATOM 422 C TRP A 166 29.085 -4.854 -7.034 1.00 0.00 C ATOM 423 O TRP A 166 28.308 -4.002 -7.420 1.00 0.00 O ATOM 424 CB TRP A 166 27.871 -6.923 -6.292 1.00 0.00 C ATOM 425 CG TRP A 166 27.924 -8.409 -6.170 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.319 -9.070 -5.081 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.583 -9.440 -7.147 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.262 -10.427 -5.274 1.00 0.00 N ATOM 429 CE2 TRP A 166 27.809 -10.719 -6.546 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.108 -9.436 -8.478 1.00 0.00 C ATOM 431 CZ2 TRP A 166 27.574 -11.918 -7.222 1.00 0.00 C ATOM 432 CZ3 TRP A 166 26.873 -10.647 -9.167 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.108 -11.883 -8.539 1.00 0.00 C ATOM 0 H TRP A 166 30.137 -7.808 -6.677 1.00 0.00 H new ATOM 0 HA TRP A 166 28.331 -6.401 -8.309 1.00 0.00 H new ATOM 0 HB2 TRP A 166 28.104 -6.486 -5.321 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.850 -6.630 -6.537 1.00 0.00 H new ATOM 0 HD1 TRP A 166 28.642 -8.598 -4.165 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.519 -11.124 -4.575 1.00 0.00 H new ATOM 0 HE3 TRP A 166 26.922 -8.495 -8.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 27.751 -12.864 -6.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.510 -10.623 -10.184 1.00 0.00 H new ATOM 0 HH2 TRP A 166 26.929 -12.804 -9.074 1.00 0.00 H new ATOM 444 N ALA A 167 30.198 -4.557 -6.354 1.00 0.00 N ATOM 445 CA ALA A 167 30.564 -3.182 -6.046 1.00 0.00 C ATOM 446 C ALA A 167 30.686 -2.369 -7.339 1.00 0.00 C ATOM 447 O ALA A 167 30.502 -1.154 -7.322 1.00 0.00 O ATOM 448 CB ALA A 167 31.884 -3.171 -5.276 1.00 0.00 C ATOM 0 H ALA A 167 30.857 -5.255 -6.009 1.00 0.00 H new ATOM 0 HA ALA A 167 29.790 -2.727 -5.429 1.00 0.00 H new ATOM 0 HB1 ALA A 167 32.161 -2.143 -5.044 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.770 -3.734 -4.350 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.664 -3.628 -5.885 1.00 0.00 H new ATOM 454 N GLU A 168 30.991 -3.048 -8.458 1.00 0.00 N ATOM 455 CA GLU A 168 31.128 -2.403 -9.754 1.00 0.00 C ATOM 456 C GLU A 168 29.827 -2.551 -10.546 1.00 0.00 C ATOM 457 O GLU A 168 29.298 -1.570 -11.058 1.00 0.00 O ATOM 458 CB GLU A 168 32.298 -3.037 -10.520 1.00 0.00 C ATOM 459 CG GLU A 168 33.574 -3.005 -9.666 1.00 0.00 C ATOM 460 CD GLU A 168 33.905 -1.585 -9.220 1.00 0.00 C ATOM 461 OE1 GLU A 168 34.091 -0.737 -10.118 1.00 0.00 O ATOM 462 OE2 GLU A 168 33.965 -1.377 -7.988 1.00 0.00 O ATOM 0 H GLU A 168 31.147 -4.056 -8.479 1.00 0.00 H new ATOM 0 HA GLU A 168 31.331 -1.341 -9.615 1.00 0.00 H new ATOM 0 HB2 GLU A 168 32.054 -4.066 -10.783 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.464 -2.500 -11.454 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.445 -3.643 -8.791 1.00 0.00 H new ATOM 0 HG3 GLU A 168 34.408 -3.413 -10.238 1.00 0.00 H new ATOM 469 N ILE A 169 29.314 -3.784 -10.649 1.00 0.00 N ATOM 470 CA ILE A 169 28.085 -4.056 -11.396 1.00 0.00 C ATOM 471 C ILE A 169 26.933 -3.194 -10.855 1.00 0.00 C ATOM 472 O ILE A 169 26.159 -2.630 -11.628 1.00 0.00 O ATOM 473 CB ILE A 169 27.738 -5.553 -11.289 1.00 0.00 C ATOM 474 CG1 ILE A 169 28.883 -6.414 -11.857 1.00 0.00 C ATOM 475 CG2 ILE A 169 26.458 -5.841 -12.081 1.00 0.00 C ATOM 476 CD1 ILE A 169 28.903 -7.779 -11.162 1.00 0.00 C ATOM 0 H ILE A 169 29.735 -4.609 -10.222 1.00 0.00 H new ATOM 0 HA ILE A 169 28.237 -3.802 -12.445 1.00 0.00 H new ATOM 0 HB ILE A 169 27.592 -5.801 -10.238 1.00 0.00 H new ATOM 0 HG12 ILE A 169 28.753 -6.545 -12.931 1.00 0.00 H new ATOM 0 HG13 ILE A 169 29.837 -5.908 -11.711 1.00 0.00 H new ATOM 0 HG21 ILE A 169 26.213 -6.900 -12.005 1.00 0.00 H new ATOM 0 HG22 ILE A 169 25.638 -5.249 -11.675 1.00 0.00 H new ATOM 0 HG23 ILE A 169 26.611 -5.579 -13.128 1.00 0.00 H new ATOM 0 HD11 ILE A 169 29.715 -8.382 -11.568 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.055 -7.640 -10.092 1.00 0.00 H new ATOM 0 HD13 ILE A 169 27.954 -8.287 -11.331 1.00 0.00 H new ATOM 488 N ALA A 170 26.824 -3.102 -9.526 1.00 0.00 N ATOM 489 CA ALA A 170 25.765 -2.343 -8.869 1.00 0.00 C ATOM 490 C ALA A 170 25.827 -0.859 -9.256 1.00 0.00 C ATOM 491 O ALA A 170 24.811 -0.174 -9.213 1.00 0.00 O ATOM 492 CB ALA A 170 25.884 -2.519 -7.350 1.00 0.00 C ATOM 0 H ALA A 170 27.470 -3.553 -8.878 1.00 0.00 H new ATOM 0 HA ALA A 170 24.798 -2.723 -9.199 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.094 -1.953 -6.855 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.787 -3.575 -7.097 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.855 -2.154 -7.016 1.00 0.00 H new ATOM 498 N LYS A 171 27.011 -0.358 -9.641 1.00 0.00 N ATOM 499 CA LYS A 171 27.151 1.037 -10.047 1.00 0.00 C ATOM 500 C LYS A 171 26.484 1.234 -11.408 1.00 0.00 C ATOM 501 O LYS A 171 25.901 2.284 -11.666 1.00 0.00 O ATOM 502 CB LYS A 171 28.633 1.429 -10.110 1.00 0.00 C ATOM 503 CG LYS A 171 29.284 1.278 -8.728 1.00 0.00 C ATOM 504 CD LYS A 171 29.008 2.522 -7.879 1.00 0.00 C ATOM 505 CE LYS A 171 29.622 2.337 -6.489 1.00 0.00 C ATOM 506 NZ LYS A 171 29.391 3.523 -5.646 1.00 0.00 N ATOM 0 H LYS A 171 27.875 -0.898 -9.678 1.00 0.00 H new ATOM 0 HA LYS A 171 26.664 1.679 -9.313 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.152 0.801 -10.834 1.00 0.00 H new ATOM 0 HB3 LYS A 171 28.729 2.459 -10.454 1.00 0.00 H new ATOM 0 HG2 LYS A 171 28.893 0.392 -8.228 1.00 0.00 H new ATOM 0 HG3 LYS A 171 30.359 1.134 -8.837 1.00 0.00 H new ATOM 0 HD2 LYS A 171 29.430 3.405 -8.360 1.00 0.00 H new ATOM 0 HD3 LYS A 171 27.934 2.687 -7.795 1.00 0.00 H new ATOM 0 HE2 LYS A 171 29.190 1.458 -6.011 1.00 0.00 H new ATOM 0 HE3 LYS A 171 30.693 2.156 -6.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 29.817 3.372 -4.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 29.824 4.356 -6.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 28.368 3.680 -5.540 1.00 0.00 H new ATOM 520 N LEU A 172 26.569 0.214 -12.274 1.00 0.00 N ATOM 521 CA LEU A 172 25.957 0.266 -13.594 1.00 0.00 C ATOM 522 C LEU A 172 24.437 0.174 -13.453 1.00 0.00 C ATOM 523 O LEU A 172 23.705 0.765 -14.246 1.00 0.00 O ATOM 524 CB LEU A 172 26.487 -0.886 -14.462 1.00 0.00 C ATOM 525 CG LEU A 172 28.025 -0.861 -14.526 1.00 0.00 C ATOM 526 CD1 LEU A 172 28.513 -2.050 -15.355 1.00 0.00 C ATOM 527 CD2 LEU A 172 28.508 0.441 -15.174 1.00 0.00 C ATOM 0 H LEU A 172 27.060 -0.658 -12.075 1.00 0.00 H new ATOM 0 HA LEU A 172 26.212 1.209 -14.078 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.151 -1.839 -14.053 1.00 0.00 H new ATOM 0 HB3 LEU A 172 26.076 -0.808 -15.468 1.00 0.00 H new ATOM 0 HG LEU A 172 28.425 -0.922 -13.514 1.00 0.00 H new ATOM 0 HD11 LEU A 172 29.602 -2.037 -15.404 1.00 0.00 H new ATOM 0 HD12 LEU A 172 28.181 -2.978 -14.890 1.00 0.00 H new ATOM 0 HD13 LEU A 172 28.104 -1.983 -16.363 1.00 0.00 H new ATOM 0 HD21 LEU A 172 29.597 0.446 -15.213 1.00 0.00 H new ATOM 0 HD22 LEU A 172 28.108 0.514 -16.185 1.00 0.00 H new ATOM 0 HD23 LEU A 172 28.162 1.291 -14.585 1.00 0.00 H new ATOM 539 N LEU A 173 23.971 -0.568 -12.434 1.00 0.00 N ATOM 540 CA LEU A 173 22.546 -0.733 -12.160 1.00 0.00 C ATOM 541 C LEU A 173 22.249 -0.253 -10.732 1.00 0.00 C ATOM 542 O LEU A 173 22.117 -1.074 -9.830 1.00 0.00 O ATOM 543 CB LEU A 173 22.168 -2.216 -12.317 1.00 0.00 C ATOM 544 CG LEU A 173 22.414 -2.696 -13.758 1.00 0.00 C ATOM 545 CD1 LEU A 173 22.259 -4.218 -13.814 1.00 0.00 C ATOM 546 CD2 LEU A 173 21.403 -2.050 -14.711 1.00 0.00 C ATOM 0 H LEU A 173 24.576 -1.067 -11.782 1.00 0.00 H new ATOM 0 HA LEU A 173 21.958 -0.143 -12.862 1.00 0.00 H new ATOM 0 HB2 LEU A 173 22.753 -2.820 -11.623 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.119 -2.358 -12.056 1.00 0.00 H new ATOM 0 HG LEU A 173 23.421 -2.411 -14.062 1.00 0.00 H new ATOM 0 HD11 LEU A 173 22.432 -4.564 -14.833 1.00 0.00 H new ATOM 0 HD12 LEU A 173 22.983 -4.682 -13.145 1.00 0.00 H new ATOM 0 HD13 LEU A 173 21.251 -4.493 -13.504 1.00 0.00 H new ATOM 0 HD21 LEU A 173 21.588 -2.398 -15.727 1.00 0.00 H new ATOM 0 HD22 LEU A 173 20.392 -2.326 -14.411 1.00 0.00 H new ATOM 0 HD23 LEU A 173 21.509 -0.966 -14.674 1.00 0.00 H new ATOM 558 N PRO A 174 22.145 1.079 -10.519 1.00 0.00 N ATOM 559 CA PRO A 174 21.902 1.651 -9.203 1.00 0.00 C ATOM 560 C PRO A 174 20.634 1.081 -8.563 1.00 0.00 C ATOM 561 O PRO A 174 20.591 0.879 -7.351 1.00 0.00 O ATOM 562 CB PRO A 174 21.788 3.163 -9.416 1.00 0.00 C ATOM 563 CG PRO A 174 22.066 3.430 -10.900 1.00 0.00 C ATOM 564 CD PRO A 174 22.273 2.071 -11.567 1.00 0.00 C ATOM 0 HA PRO A 174 22.712 1.407 -8.515 1.00 0.00 H new ATOM 0 HB2 PRO A 174 20.795 3.517 -9.140 1.00 0.00 H new ATOM 0 HB3 PRO A 174 22.502 3.696 -8.788 1.00 0.00 H new ATOM 0 HG2 PRO A 174 21.233 3.962 -11.359 1.00 0.00 H new ATOM 0 HG3 PRO A 174 22.949 4.057 -11.020 1.00 0.00 H new ATOM 0 HD2 PRO A 174 21.534 1.906 -12.351 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.254 2.015 -12.038 1.00 0.00 H new ATOM 572 N GLY A 175 19.602 0.824 -9.377 1.00 0.00 N ATOM 573 CA GLY A 175 18.342 0.282 -8.884 1.00 0.00 C ATOM 574 C GLY A 175 18.546 -1.104 -8.261 1.00 0.00 C ATOM 575 O GLY A 175 17.726 -1.545 -7.457 1.00 0.00 O ATOM 0 H GLY A 175 19.622 0.986 -10.384 1.00 0.00 H new ATOM 0 HA2 GLY A 175 17.916 0.959 -8.143 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.626 0.215 -9.703 1.00 0.00 H new ATOM 579 N ARG A 176 19.638 -1.787 -8.637 1.00 0.00 N ATOM 580 CA ARG A 176 19.947 -3.116 -8.134 1.00 0.00 C ATOM 581 C ARG A 176 21.172 -3.037 -7.215 1.00 0.00 C ATOM 582 O ARG A 176 22.305 -3.001 -7.690 1.00 0.00 O ATOM 583 CB ARG A 176 20.220 -4.055 -9.319 1.00 0.00 C ATOM 584 CG ARG A 176 19.088 -3.979 -10.361 1.00 0.00 C ATOM 585 CD ARG A 176 17.790 -4.560 -9.788 1.00 0.00 C ATOM 586 NE ARG A 176 16.942 -5.096 -10.867 1.00 0.00 N ATOM 587 CZ ARG A 176 15.904 -5.923 -10.653 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.547 -6.258 -9.406 1.00 0.00 N ATOM 589 NH2 ARG A 176 15.224 -6.414 -11.692 1.00 0.00 N ATOM 0 H ARG A 176 20.325 -1.426 -9.298 1.00 0.00 H new ATOM 0 HA ARG A 176 19.105 -3.507 -7.563 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.168 -3.788 -9.787 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.319 -5.079 -8.960 1.00 0.00 H new ATOM 0 HG2 ARG A 176 18.929 -2.943 -10.659 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.374 -4.528 -11.258 1.00 0.00 H new ATOM 0 HD2 ARG A 176 18.023 -5.350 -9.074 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.249 -3.787 -9.242 1.00 0.00 H new ATOM 0 HE ARG A 176 17.154 -4.825 -11.827 1.00 0.00 H new ATOM 0 HH11 ARG A 176 16.064 -5.885 -8.610 1.00 0.00 H new ATOM 0 HH12 ARG A 176 14.758 -6.886 -9.253 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.493 -6.161 -12.643 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.436 -7.042 -11.535 1.00 0.00 H new ATOM 603 N THR A 177 20.943 -3.006 -5.896 1.00 0.00 N ATOM 604 CA THR A 177 22.027 -2.910 -4.921 1.00 0.00 C ATOM 605 C THR A 177 22.871 -4.188 -4.931 1.00 0.00 C ATOM 606 O THR A 177 22.411 -5.234 -5.381 1.00 0.00 O ATOM 607 CB THR A 177 21.433 -2.669 -3.529 1.00 0.00 C ATOM 608 OG1 THR A 177 20.491 -3.679 -3.234 1.00 0.00 O ATOM 609 CG2 THR A 177 20.745 -1.302 -3.488 1.00 0.00 C ATOM 0 H THR A 177 20.012 -3.046 -5.482 1.00 0.00 H new ATOM 0 HA THR A 177 22.677 -2.075 -5.184 1.00 0.00 H new ATOM 0 HB THR A 177 22.234 -2.692 -2.790 1.00 0.00 H new ATOM 0 HG1 THR A 177 20.114 -3.524 -2.343 1.00 0.00 H new ATOM 0 HG21 THR A 177 20.325 -1.136 -2.496 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.473 -0.521 -3.709 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.947 -1.274 -4.230 1.00 0.00 H new ATOM 617 N ASP A 178 24.113 -4.090 -4.425 1.00 0.00 N ATOM 618 CA ASP A 178 25.040 -5.216 -4.357 1.00 0.00 C ATOM 619 C ASP A 178 24.331 -6.501 -3.931 1.00 0.00 C ATOM 620 O ASP A 178 24.389 -7.505 -4.637 1.00 0.00 O ATOM 621 CB ASP A 178 26.152 -4.886 -3.357 1.00 0.00 C ATOM 622 CG ASP A 178 27.019 -3.739 -3.851 1.00 0.00 C ATOM 623 OD1 ASP A 178 26.464 -2.627 -3.996 1.00 0.00 O ATOM 624 OD2 ASP A 178 28.219 -3.996 -4.071 1.00 0.00 O ATOM 0 H ASP A 178 24.496 -3.221 -4.052 1.00 0.00 H new ATOM 0 HA ASP A 178 25.458 -5.380 -5.350 1.00 0.00 H new ATOM 0 HB2 ASP A 178 25.712 -4.624 -2.395 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.771 -5.768 -3.194 1.00 0.00 H new ATOM 629 N ASN A 179 23.672 -6.469 -2.766 1.00 0.00 N ATOM 630 CA ASN A 179 22.993 -7.639 -2.226 1.00 0.00 C ATOM 631 C ASN A 179 21.927 -8.151 -3.196 1.00 0.00 C ATOM 632 O ASN A 179 21.766 -9.360 -3.351 1.00 0.00 O ATOM 633 CB ASN A 179 22.365 -7.288 -0.877 1.00 0.00 C ATOM 634 CG ASN A 179 21.779 -8.534 -0.221 1.00 0.00 C ATOM 635 OD1 ASN A 179 22.519 -9.429 0.186 1.00 0.00 O ATOM 636 ND2 ASN A 179 20.451 -8.595 -0.121 1.00 0.00 N ATOM 0 H ASN A 179 23.598 -5.637 -2.181 1.00 0.00 H new ATOM 0 HA ASN A 179 23.724 -8.435 -2.086 1.00 0.00 H new ATOM 0 HB2 ASN A 179 23.116 -6.845 -0.224 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.583 -6.541 -1.016 1.00 0.00 H new ATOM 0 HD21 ASN A 179 20.009 -9.408 0.307 1.00 0.00 H new ATOM 0 HD22 ASN A 179 19.877 -7.828 -0.473 1.00 0.00 H new ATOM 643 N ALA A 180 21.197 -7.236 -3.846 1.00 0.00 N ATOM 644 CA ALA A 180 20.151 -7.616 -4.783 1.00 0.00 C ATOM 645 C ALA A 180 20.749 -8.430 -5.929 1.00 0.00 C ATOM 646 O ALA A 180 20.241 -9.501 -6.252 1.00 0.00 O ATOM 647 CB ALA A 180 19.445 -6.365 -5.313 1.00 0.00 C ATOM 0 H ALA A 180 21.317 -6.229 -3.735 1.00 0.00 H new ATOM 0 HA ALA A 180 19.415 -8.235 -4.270 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.663 -6.658 -6.014 1.00 0.00 H new ATOM 0 HB2 ALA A 180 19.001 -5.818 -4.481 1.00 0.00 H new ATOM 0 HB3 ALA A 180 20.168 -5.727 -5.822 1.00 0.00 H new ATOM 653 N ILE A 181 21.828 -7.922 -6.544 1.00 0.00 N ATOM 654 CA ILE A 181 22.475 -8.614 -7.655 1.00 0.00 C ATOM 655 C ILE A 181 23.077 -9.931 -7.167 1.00 0.00 C ATOM 656 O ILE A 181 22.982 -10.946 -7.851 1.00 0.00 O ATOM 657 CB ILE A 181 23.557 -7.724 -8.286 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.974 -6.331 -8.571 1.00 0.00 C ATOM 659 CG2 ILE A 181 24.029 -8.371 -9.594 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.862 -5.560 -9.548 1.00 0.00 C ATOM 0 H ILE A 181 22.265 -7.037 -6.287 1.00 0.00 H new ATOM 0 HA ILE A 181 21.728 -8.832 -8.418 1.00 0.00 H new ATOM 0 HB ILE A 181 24.401 -7.621 -7.603 1.00 0.00 H new ATOM 0 HG12 ILE A 181 21.970 -6.430 -8.985 1.00 0.00 H new ATOM 0 HG13 ILE A 181 22.881 -5.773 -7.639 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.798 -7.748 -10.051 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.440 -9.358 -9.384 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.185 -8.467 -10.278 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.429 -4.577 -9.735 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.858 -5.443 -9.120 1.00 0.00 H new ATOM 0 HD13 ILE A 181 23.933 -6.110 -10.487 1.00 0.00 H new ATOM 672 N LYS A 182 23.693 -9.910 -5.982 1.00 0.00 N ATOM 673 CA LYS A 182 24.305 -11.092 -5.398 1.00 0.00 C ATOM 674 C LYS A 182 23.275 -12.224 -5.313 1.00 0.00 C ATOM 675 O LYS A 182 23.482 -13.298 -5.878 1.00 0.00 O ATOM 676 CB LYS A 182 24.846 -10.727 -4.008 1.00 0.00 C ATOM 677 CG LYS A 182 25.587 -11.917 -3.383 1.00 0.00 C ATOM 678 CD LYS A 182 25.457 -11.854 -1.856 1.00 0.00 C ATOM 679 CE LYS A 182 24.096 -12.418 -1.428 1.00 0.00 C ATOM 680 NZ LYS A 182 23.703 -11.919 -0.097 1.00 0.00 N ATOM 0 H LYS A 182 23.778 -9.072 -5.407 1.00 0.00 H new ATOM 0 HA LYS A 182 25.130 -11.440 -6.020 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.520 -9.874 -4.087 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.023 -10.424 -3.360 1.00 0.00 H new ATOM 0 HG2 LYS A 182 25.173 -12.854 -3.756 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.638 -11.897 -3.671 1.00 0.00 H new ATOM 0 HD2 LYS A 182 26.260 -12.424 -1.389 1.00 0.00 H new ATOM 0 HD3 LYS A 182 25.558 -10.824 -1.515 1.00 0.00 H new ATOM 0 HE2 LYS A 182 23.338 -12.141 -2.161 1.00 0.00 H new ATOM 0 HE3 LYS A 182 24.140 -13.507 -1.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 23.157 -12.651 0.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 24.555 -11.688 0.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 23.119 -11.065 -0.205 1.00 0.00 H new ATOM 694 N ASN A 183 22.167 -11.981 -4.601 1.00 0.00 N ATOM 695 CA ASN A 183 21.119 -12.980 -4.429 1.00 0.00 C ATOM 696 C ASN A 183 20.524 -13.363 -5.783 1.00 0.00 C ATOM 697 O ASN A 183 20.312 -14.545 -6.056 1.00 0.00 O ATOM 698 CB ASN A 183 20.029 -12.425 -3.504 1.00 0.00 C ATOM 699 CG ASN A 183 20.423 -12.580 -2.037 1.00 0.00 C ATOM 700 OD1 ASN A 183 20.918 -11.642 -1.419 1.00 0.00 O ATOM 701 ND2 ASN A 183 20.200 -13.771 -1.480 1.00 0.00 N ATOM 0 H ASN A 183 21.978 -11.094 -4.135 1.00 0.00 H new ATOM 0 HA ASN A 183 21.548 -13.875 -3.978 1.00 0.00 H new ATOM 0 HB2 ASN A 183 19.858 -11.372 -3.729 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.090 -12.947 -3.689 1.00 0.00 H new ATOM 0 HD21 ASN A 183 20.443 -13.930 -0.502 1.00 0.00 H new ATOM 0 HD22 ASN A 183 19.786 -14.523 -2.032 1.00 0.00 H new ATOM 708 N HIS A 184 20.252 -12.360 -6.627 1.00 0.00 N ATOM 709 CA HIS A 184 19.668 -12.585 -7.939 1.00 0.00 C ATOM 710 C HIS A 184 20.502 -13.581 -8.738 1.00 0.00 C ATOM 711 O HIS A 184 19.983 -14.591 -9.186 1.00 0.00 O ATOM 712 CB HIS A 184 19.574 -11.256 -8.688 1.00 0.00 C ATOM 713 CG HIS A 184 19.474 -11.441 -10.178 1.00 0.00 C ATOM 714 ND1 HIS A 184 18.440 -12.146 -10.782 1.00 0.00 N ATOM 715 CD2 HIS A 184 20.277 -11.036 -11.212 1.00 0.00 C ATOM 716 CE1 HIS A 184 18.677 -12.119 -12.108 1.00 0.00 C ATOM 717 NE2 HIS A 184 19.787 -11.456 -12.437 1.00 0.00 N ATOM 0 H HIS A 184 20.432 -11.379 -6.414 1.00 0.00 H new ATOM 0 HA HIS A 184 18.669 -13.003 -7.814 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.703 -10.704 -8.334 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.450 -10.650 -8.458 1.00 0.00 H new ATOM 0 HD2 HIS A 184 21.182 -10.460 -11.087 1.00 0.00 H new ATOM 0 HE1 HIS A 184 18.031 -12.589 -12.835 1.00 0.00 H new ATOM 0 HE2 HIS A 184 20.179 -11.297 -13.365 1.00 0.00 H new ATOM 725 N TRP A 185 21.788 -13.288 -8.923 1.00 0.00 N ATOM 726 CA TRP A 185 22.670 -14.142 -9.699 1.00 0.00 C ATOM 727 C TRP A 185 22.759 -15.532 -9.072 1.00 0.00 C ATOM 728 O TRP A 185 22.652 -16.533 -9.772 1.00 0.00 O ATOM 729 CB TRP A 185 24.058 -13.494 -9.771 1.00 0.00 C ATOM 730 CG TRP A 185 25.118 -14.340 -10.416 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.733 -15.388 -9.846 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.711 -14.226 -11.743 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.657 -15.943 -10.694 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.689 -15.261 -11.893 1.00 0.00 C ATOM 735 CE3 TRP A 185 25.532 -13.358 -12.841 1.00 0.00 C ATOM 736 CZ2 TRP A 185 27.439 -15.421 -13.058 1.00 0.00 C ATOM 737 CZ3 TRP A 185 26.290 -13.515 -14.020 1.00 0.00 C ATOM 738 CH2 TRP A 185 27.239 -14.544 -14.129 1.00 0.00 C ATOM 0 H TRP A 185 22.240 -12.458 -8.540 1.00 0.00 H new ATOM 0 HA TRP A 185 22.270 -14.255 -10.707 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.977 -12.557 -10.321 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.379 -13.244 -8.760 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.527 -15.748 -8.849 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.240 -16.749 -10.469 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.804 -12.562 -12.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 28.168 -16.215 -13.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 26.139 -12.837 -14.847 1.00 0.00 H new ATOM 0 HH2 TRP A 185 27.813 -14.658 -15.037 1.00 0.00 H new ATOM 749 N ASN A 186 22.971 -15.586 -7.754 1.00 0.00 N ATOM 750 CA ASN A 186 23.150 -16.848 -7.046 1.00 0.00 C ATOM 751 C ASN A 186 21.938 -17.773 -7.206 1.00 0.00 C ATOM 752 O ASN A 186 22.109 -18.983 -7.355 1.00 0.00 O ATOM 753 CB ASN A 186 23.404 -16.564 -5.560 1.00 0.00 C ATOM 754 CG ASN A 186 24.784 -15.946 -5.332 1.00 0.00 C ATOM 755 OD1 ASN A 186 25.546 -15.738 -6.273 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.105 -15.654 -4.071 1.00 0.00 N ATOM 0 H ASN A 186 23.022 -14.761 -7.156 1.00 0.00 H new ATOM 0 HA ASN A 186 24.008 -17.361 -7.480 1.00 0.00 H new ATOM 0 HB2 ASN A 186 22.636 -15.890 -5.182 1.00 0.00 H new ATOM 0 HB3 ASN A 186 23.322 -17.491 -4.993 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.013 -15.242 -3.858 1.00 0.00 H new ATOM 0 HD22 ASN A 186 24.442 -15.843 -3.319 1.00 0.00 H new ATOM 763 N SER A 187 20.723 -17.218 -7.154 1.00 0.00 N ATOM 764 CA SER A 187 19.503 -18.020 -7.217 1.00 0.00 C ATOM 765 C SER A 187 19.007 -18.196 -8.658 1.00 0.00 C ATOM 766 O SER A 187 18.630 -19.299 -9.053 1.00 0.00 O ATOM 767 CB SER A 187 18.426 -17.339 -6.367 1.00 0.00 C ATOM 768 OG SER A 187 17.243 -18.111 -6.391 1.00 0.00 O ATOM 0 H SER A 187 20.561 -16.215 -7.068 1.00 0.00 H new ATOM 0 HA SER A 187 19.720 -19.016 -6.830 1.00 0.00 H new ATOM 0 HB2 SER A 187 18.777 -17.225 -5.341 1.00 0.00 H new ATOM 0 HB3 SER A 187 18.226 -16.338 -6.749 1.00 0.00 H new ATOM 0 HG SER A 187 16.556 -17.674 -5.845 1.00 0.00 H new ATOM 774 N THR A 188 18.981 -17.110 -9.428 1.00 0.00 N ATOM 775 CA THR A 188 18.437 -17.123 -10.780 1.00 0.00 C ATOM 776 C THR A 188 19.432 -17.697 -11.790 1.00 0.00 C ATOM 777 O THR A 188 19.100 -18.640 -12.506 1.00 0.00 O ATOM 778 CB THR A 188 18.038 -15.693 -11.178 1.00 0.00 C ATOM 779 OG1 THR A 188 17.346 -15.079 -10.109 1.00 0.00 O ATOM 780 CG2 THR A 188 17.132 -15.730 -12.410 1.00 0.00 C ATOM 0 H THR A 188 19.336 -16.201 -9.132 1.00 0.00 H new ATOM 0 HA THR A 188 17.560 -17.770 -10.790 1.00 0.00 H new ATOM 0 HB THR A 188 18.938 -15.123 -11.408 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.536 -14.118 -10.105 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.853 -14.713 -12.687 1.00 0.00 H new ATOM 0 HG22 THR A 188 17.663 -16.199 -13.238 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.234 -16.304 -12.184 1.00 0.00 H new ATOM 788 N MET A 189 20.634 -17.115 -11.869 1.00 0.00 N ATOM 789 CA MET A 189 21.616 -17.511 -12.871 1.00 0.00 C ATOM 790 C MET A 189 22.481 -18.669 -12.371 1.00 0.00 C ATOM 791 O MET A 189 22.181 -19.826 -12.657 1.00 0.00 O ATOM 792 CB MET A 189 22.468 -16.293 -13.245 1.00 0.00 C ATOM 793 CG MET A 189 21.588 -15.246 -13.940 1.00 0.00 C ATOM 794 SD MET A 189 22.458 -13.724 -14.393 1.00 0.00 S ATOM 795 CE MET A 189 23.659 -14.414 -15.556 1.00 0.00 C ATOM 0 H MET A 189 20.945 -16.368 -11.248 1.00 0.00 H new ATOM 0 HA MET A 189 21.098 -17.868 -13.761 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.923 -15.866 -12.351 1.00 0.00 H new ATOM 0 HB3 MET A 189 23.282 -16.594 -13.904 1.00 0.00 H new ATOM 0 HG2 MET A 189 21.160 -15.688 -14.840 1.00 0.00 H new ATOM 0 HG3 MET A 189 20.756 -14.993 -13.282 1.00 0.00 H new ATOM 0 HE1 MET A 189 24.243 -13.607 -15.997 1.00 0.00 H new ATOM 0 HE2 MET A 189 24.324 -15.098 -15.029 1.00 0.00 H new ATOM 0 HE3 MET A 189 23.134 -14.954 -16.344 1.00 0.00 H new ATOM 805 N ARG A 190 23.560 -18.356 -11.636 1.00 0.00 N ATOM 806 CA ARG A 190 24.487 -19.365 -11.131 1.00 0.00 C ATOM 807 C ARG A 190 25.146 -20.103 -12.308 1.00 0.00 C ATOM 808 O ARG A 190 25.333 -21.317 -12.258 1.00 0.00 O ATOM 809 CB ARG A 190 23.730 -20.340 -10.207 1.00 0.00 C ATOM 810 CG ARG A 190 24.703 -21.084 -9.278 1.00 0.00 C ATOM 811 CD ARG A 190 25.297 -20.120 -8.245 1.00 0.00 C ATOM 812 NE ARG A 190 25.751 -20.845 -7.049 1.00 0.00 N ATOM 813 CZ ARG A 190 24.923 -21.248 -6.065 1.00 0.00 C ATOM 814 NH1 ARG A 190 23.612 -20.964 -6.117 1.00 0.00 N ATOM 815 NH2 ARG A 190 25.412 -21.939 -5.027 1.00 0.00 N ATOM 0 H ARG A 190 23.808 -17.400 -11.380 1.00 0.00 H new ATOM 0 HA ARG A 190 25.277 -18.888 -10.551 1.00 0.00 H new ATOM 0 HB2 ARG A 190 23.001 -19.791 -9.611 1.00 0.00 H new ATOM 0 HB3 ARG A 190 23.174 -21.059 -10.808 1.00 0.00 H new ATOM 0 HG2 ARG A 190 24.182 -21.896 -8.770 1.00 0.00 H new ATOM 0 HG3 ARG A 190 25.502 -21.536 -9.865 1.00 0.00 H new ATOM 0 HD2 ARG A 190 26.134 -19.579 -8.686 1.00 0.00 H new ATOM 0 HD3 ARG A 190 24.550 -19.378 -7.963 1.00 0.00 H new ATOM 0 HE ARG A 190 26.745 -21.054 -6.959 1.00 0.00 H new ATOM 0 HH11 ARG A 190 23.235 -20.439 -6.906 1.00 0.00 H new ATOM 0 HH12 ARG A 190 22.993 -21.273 -5.368 1.00 0.00 H new ATOM 0 HH21 ARG A 190 26.407 -22.158 -4.984 1.00 0.00 H new ATOM 0 HH22 ARG A 190 24.789 -22.246 -4.280 1.00 0.00 H new