USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=10 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= 0.323 K(o=1,f=-0.58) USER MOD Set 1.2: A 188 THR OG1 : rot 139:sc= 0.707 USER MOD Set 2.1: A 159 HIS : no HE2:sc= -1.45 K(o=-0.31,f=-2.9) USER MOD Set 2.2: A 164 ASN :FLIP amide:sc= 1.14 F(o=-1.4,f=-0.31) USER MOD Set 3.1: A 156 TYR OH : rot 180:sc= 0.783 USER MOD Set 3.2: A 160 LYS NZ :NH3+ 172:sc= 0.867 (180deg=-0.15) USER MOD Single : A 148 THR OG1 : rot 106:sc= 1.08 USER MOD Single : A 157 GLN : amide:sc= 0.195 X(o=0.2,f=-0.16) USER MOD Single : A 171 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0346) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 179 ASN : amide:sc= -0.0255 X(o=-0.026,f=-0.026) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 ASN : amide:sc=-0.00179 X(o=-0.0018,f=0) USER MOD Single : A 186 ASN : amide:sc= 1.66 K(o=1.7,f=-4.3!) USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 189 MET CE :methyl 155:sc= -0.187 (180deg=-1.93!) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 14.562 -8.697 -12.613 1.00 0.00 N ATOM 89 CA TRP A 147 15.608 -9.297 -13.441 1.00 0.00 C ATOM 90 C TRP A 147 15.058 -9.914 -14.728 1.00 0.00 C ATOM 91 O TRP A 147 14.835 -11.123 -14.800 1.00 0.00 O ATOM 92 CB TRP A 147 16.351 -10.338 -12.610 1.00 0.00 C ATOM 93 CG TRP A 147 17.016 -9.775 -11.396 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.782 -10.145 -10.132 1.00 0.00 C ATOM 95 CD2 TRP A 147 18.015 -8.721 -11.313 1.00 0.00 C ATOM 96 NE1 TRP A 147 17.555 -9.416 -9.255 1.00 0.00 N ATOM 97 CE2 TRP A 147 18.344 -8.511 -9.939 1.00 0.00 C ATOM 98 CE3 TRP A 147 18.680 -7.917 -12.258 1.00 0.00 C ATOM 99 CZ2 TRP A 147 19.278 -7.555 -9.532 1.00 0.00 C ATOM 100 CZ3 TRP A 147 19.617 -6.946 -11.856 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.915 -6.766 -10.498 1.00 0.00 C ATOM 0 HA TRP A 147 16.293 -8.509 -13.755 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.649 -11.113 -12.302 1.00 0.00 H new ATOM 0 HB3 TRP A 147 17.103 -10.819 -13.235 1.00 0.00 H new ATOM 0 HD1 TRP A 147 16.081 -10.912 -9.838 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.546 -9.529 -8.241 1.00 0.00 H new ATOM 0 HE3 TRP A 147 18.468 -8.047 -13.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.506 -7.426 -8.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 20.109 -6.336 -12.599 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.635 -6.020 -10.197 1.00 0.00 H new ATOM 112 N THR A 148 14.860 -9.077 -15.753 1.00 0.00 N ATOM 113 CA THR A 148 14.396 -9.544 -17.053 1.00 0.00 C ATOM 114 C THR A 148 15.611 -9.810 -17.946 1.00 0.00 C ATOM 115 O THR A 148 16.743 -9.533 -17.553 1.00 0.00 O ATOM 116 CB THR A 148 13.456 -8.503 -17.690 1.00 0.00 C ATOM 117 OG1 THR A 148 14.205 -7.426 -18.216 1.00 0.00 O ATOM 118 CG2 THR A 148 12.472 -7.974 -16.645 1.00 0.00 C ATOM 0 H THR A 148 15.016 -8.070 -15.701 1.00 0.00 H new ATOM 0 HA THR A 148 13.832 -10.469 -16.935 1.00 0.00 H new ATOM 0 HB THR A 148 12.903 -8.984 -18.497 1.00 0.00 H new ATOM 0 HG1 THR A 148 14.220 -7.485 -19.194 1.00 0.00 H new ATOM 0 HG21 THR A 148 11.812 -7.239 -17.106 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.878 -8.800 -16.254 1.00 0.00 H new ATOM 0 HG23 THR A 148 13.024 -7.506 -15.830 1.00 0.00 H new ATOM 126 N GLU A 149 15.371 -10.345 -19.150 1.00 0.00 N ATOM 127 CA GLU A 149 16.436 -10.647 -20.106 1.00 0.00 C ATOM 128 C GLU A 149 17.387 -9.450 -20.266 1.00 0.00 C ATOM 129 O GLU A 149 18.599 -9.630 -20.390 1.00 0.00 O ATOM 130 CB GLU A 149 15.813 -11.061 -21.458 1.00 0.00 C ATOM 131 CG GLU A 149 15.129 -9.871 -22.165 1.00 0.00 C ATOM 132 CD GLU A 149 14.028 -9.255 -21.307 1.00 0.00 C ATOM 133 OE1 GLU A 149 13.041 -9.972 -21.049 1.00 0.00 O ATOM 134 OE2 GLU A 149 14.199 -8.077 -20.915 1.00 0.00 O ATOM 0 H GLU A 149 14.436 -10.579 -19.485 1.00 0.00 H new ATOM 0 HA GLU A 149 17.031 -11.479 -19.728 1.00 0.00 H new ATOM 0 HB2 GLU A 149 16.589 -11.471 -22.105 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.083 -11.854 -21.294 1.00 0.00 H new ATOM 0 HG2 GLU A 149 15.874 -9.111 -22.399 1.00 0.00 H new ATOM 0 HG3 GLU A 149 14.706 -10.206 -23.112 1.00 0.00 H new ATOM 141 N GLU A 150 16.830 -8.233 -20.258 1.00 0.00 N ATOM 142 CA GLU A 150 17.603 -7.013 -20.397 1.00 0.00 C ATOM 143 C GLU A 150 18.659 -6.931 -19.296 1.00 0.00 C ATOM 144 O GLU A 150 19.852 -6.853 -19.584 1.00 0.00 O ATOM 145 CB GLU A 150 16.644 -5.815 -20.323 1.00 0.00 C ATOM 146 CG GLU A 150 17.363 -4.528 -20.740 1.00 0.00 C ATOM 147 CD GLU A 150 17.465 -4.429 -22.256 1.00 0.00 C ATOM 148 OE1 GLU A 150 16.397 -4.304 -22.889 1.00 0.00 O ATOM 149 OE2 GLU A 150 18.611 -4.483 -22.753 1.00 0.00 O ATOM 0 H GLU A 150 15.827 -8.076 -20.154 1.00 0.00 H new ATOM 0 HA GLU A 150 18.120 -7.005 -21.357 1.00 0.00 H new ATOM 0 HB2 GLU A 150 15.786 -5.987 -20.973 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.259 -5.712 -19.309 1.00 0.00 H new ATOM 0 HG2 GLU A 150 16.825 -3.664 -20.351 1.00 0.00 H new ATOM 0 HG3 GLU A 150 18.361 -4.506 -20.302 1.00 0.00 H new ATOM 156 N GLU A 151 18.210 -6.942 -18.037 1.00 0.00 N ATOM 157 CA GLU A 151 19.100 -6.831 -16.894 1.00 0.00 C ATOM 158 C GLU A 151 20.085 -7.999 -16.866 1.00 0.00 C ATOM 159 O GLU A 151 21.286 -7.795 -16.684 1.00 0.00 O ATOM 160 CB GLU A 151 18.279 -6.810 -15.604 1.00 0.00 C ATOM 161 CG GLU A 151 17.185 -5.738 -15.668 1.00 0.00 C ATOM 162 CD GLU A 151 16.603 -5.491 -14.281 1.00 0.00 C ATOM 163 OE1 GLU A 151 17.363 -4.984 -13.431 1.00 0.00 O ATOM 164 OE2 GLU A 151 15.408 -5.813 -14.089 1.00 0.00 O ATOM 0 H GLU A 151 17.224 -7.028 -17.790 1.00 0.00 H new ATOM 0 HA GLU A 151 19.666 -5.903 -16.978 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.826 -7.788 -15.441 1.00 0.00 H new ATOM 0 HB3 GLU A 151 18.934 -6.616 -14.755 1.00 0.00 H new ATOM 0 HG2 GLU A 151 17.598 -4.811 -16.067 1.00 0.00 H new ATOM 0 HG3 GLU A 151 16.396 -6.055 -16.350 1.00 0.00 H new ATOM 171 N ASP A 152 19.571 -9.224 -17.038 1.00 0.00 N ATOM 172 CA ASP A 152 20.393 -10.427 -17.013 1.00 0.00 C ATOM 173 C ASP A 152 21.569 -10.292 -17.978 1.00 0.00 C ATOM 174 O ASP A 152 22.678 -10.711 -17.656 1.00 0.00 O ATOM 175 CB ASP A 152 19.533 -11.643 -17.377 1.00 0.00 C ATOM 176 CG ASP A 152 18.691 -12.098 -16.188 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.115 -11.211 -15.524 1.00 0.00 O ATOM 178 OD2 ASP A 152 18.640 -13.328 -15.967 1.00 0.00 O ATOM 0 H ASP A 152 18.579 -9.402 -17.197 1.00 0.00 H new ATOM 0 HA ASP A 152 20.795 -10.564 -16.009 1.00 0.00 H new ATOM 0 HB2 ASP A 152 18.881 -11.393 -18.214 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.175 -12.460 -17.706 1.00 0.00 H new ATOM 183 N ARG A 153 21.334 -9.706 -19.161 1.00 0.00 N ATOM 184 CA ARG A 153 22.390 -9.526 -20.147 1.00 0.00 C ATOM 185 C ARG A 153 23.507 -8.651 -19.571 1.00 0.00 C ATOM 186 O ARG A 153 24.682 -8.967 -19.736 1.00 0.00 O ATOM 187 CB ARG A 153 21.813 -8.896 -21.418 1.00 0.00 C ATOM 188 CG ARG A 153 22.839 -9.010 -22.554 1.00 0.00 C ATOM 189 CD ARG A 153 22.319 -8.308 -23.812 1.00 0.00 C ATOM 190 NE ARG A 153 22.289 -6.846 -23.631 1.00 0.00 N ATOM 191 CZ ARG A 153 21.170 -6.143 -23.357 1.00 0.00 C ATOM 192 NH1 ARG A 153 19.995 -6.758 -23.184 1.00 0.00 N ATOM 193 NH2 ARG A 153 21.230 -4.813 -23.255 1.00 0.00 N ATOM 0 H ARG A 153 20.422 -9.352 -19.450 1.00 0.00 H new ATOM 0 HA ARG A 153 22.812 -10.499 -20.400 1.00 0.00 H new ATOM 0 HB2 ARG A 153 20.887 -9.398 -21.698 1.00 0.00 H new ATOM 0 HB3 ARG A 153 21.567 -7.849 -21.239 1.00 0.00 H new ATOM 0 HG2 ARG A 153 23.785 -8.564 -22.245 1.00 0.00 H new ATOM 0 HG3 ARG A 153 23.037 -10.060 -22.771 1.00 0.00 H new ATOM 0 HD2 ARG A 153 22.955 -8.559 -24.661 1.00 0.00 H new ATOM 0 HD3 ARG A 153 21.317 -8.669 -24.046 1.00 0.00 H new ATOM 0 HE ARG A 153 23.167 -6.334 -23.718 1.00 0.00 H new ATOM 0 HH11 ARG A 153 19.935 -7.774 -23.259 1.00 0.00 H new ATOM 0 HH12 ARG A 153 19.159 -6.212 -22.977 1.00 0.00 H new ATOM 0 HH21 ARG A 153 22.120 -4.331 -23.384 1.00 0.00 H new ATOM 0 HH22 ARG A 153 20.386 -4.279 -23.048 1.00 0.00 H new ATOM 207 N ILE A 154 23.140 -7.550 -18.899 1.00 0.00 N ATOM 208 CA ILE A 154 24.121 -6.637 -18.318 1.00 0.00 C ATOM 209 C ILE A 154 24.941 -7.367 -17.255 1.00 0.00 C ATOM 210 O ILE A 154 26.173 -7.324 -17.282 1.00 0.00 O ATOM 211 CB ILE A 154 23.410 -5.415 -17.703 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.511 -4.717 -18.746 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.457 -4.425 -17.174 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.278 -4.435 -20.044 1.00 0.00 C ATOM 0 H ILE A 154 22.170 -7.275 -18.747 1.00 0.00 H new ATOM 0 HA ILE A 154 24.792 -6.288 -19.103 1.00 0.00 H new ATOM 0 HB ILE A 154 22.779 -5.757 -16.882 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.646 -5.344 -18.961 1.00 0.00 H new ATOM 0 HG13 ILE A 154 22.132 -3.781 -18.335 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.954 -3.561 -16.739 1.00 0.00 H new ATOM 0 HG22 ILE A 154 25.066 -4.912 -16.412 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.096 -4.098 -17.994 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.617 -3.943 -20.758 1.00 0.00 H new ATOM 0 HD12 ILE A 154 24.128 -3.787 -19.831 1.00 0.00 H new ATOM 0 HD13 ILE A 154 23.635 -5.374 -20.467 1.00 0.00 H new ATOM 226 N ILE A 155 24.255 -8.033 -16.318 1.00 0.00 N ATOM 227 CA ILE A 155 24.919 -8.752 -15.240 1.00 0.00 C ATOM 228 C ILE A 155 25.866 -9.795 -15.823 1.00 0.00 C ATOM 229 O ILE A 155 27.022 -9.865 -15.429 1.00 0.00 O ATOM 230 CB ILE A 155 23.876 -9.426 -14.334 1.00 0.00 C ATOM 231 CG1 ILE A 155 22.965 -8.369 -13.695 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.593 -10.210 -13.224 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.698 -9.040 -13.159 1.00 0.00 C ATOM 0 H ILE A 155 23.237 -8.085 -16.291 1.00 0.00 H new ATOM 0 HA ILE A 155 25.495 -8.046 -14.641 1.00 0.00 H new ATOM 0 HB ILE A 155 23.271 -10.103 -14.937 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.491 -7.863 -12.886 1.00 0.00 H new ATOM 0 HG13 ILE A 155 22.703 -7.608 -14.430 1.00 0.00 H new ATOM 0 HG21 ILE A 155 23.854 -10.688 -12.581 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.232 -10.971 -13.671 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.202 -9.527 -12.631 1.00 0.00 H new ATOM 0 HD11 ILE A 155 21.052 -8.288 -12.706 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.169 -9.526 -13.979 1.00 0.00 H new ATOM 0 HD13 ILE A 155 21.969 -9.784 -12.410 1.00 0.00 H new ATOM 245 N TYR A 156 25.367 -10.608 -16.758 1.00 0.00 N ATOM 246 CA TYR A 156 26.157 -11.662 -17.373 1.00 0.00 C ATOM 247 C TYR A 156 27.390 -11.084 -18.060 1.00 0.00 C ATOM 248 O TYR A 156 28.501 -11.523 -17.791 1.00 0.00 O ATOM 249 CB TYR A 156 25.290 -12.424 -18.378 1.00 0.00 C ATOM 250 CG TYR A 156 26.083 -13.405 -19.217 1.00 0.00 C ATOM 251 CD1 TYR A 156 26.699 -14.510 -18.607 1.00 0.00 C ATOM 252 CD2 TYR A 156 26.215 -13.203 -20.603 1.00 0.00 C ATOM 253 CE1 TYR A 156 27.447 -15.413 -19.379 1.00 0.00 C ATOM 254 CE2 TYR A 156 26.962 -14.109 -21.376 1.00 0.00 C ATOM 255 CZ TYR A 156 27.578 -15.213 -20.765 1.00 0.00 C ATOM 256 OH TYR A 156 28.307 -16.091 -21.517 1.00 0.00 O ATOM 0 H TYR A 156 24.409 -10.550 -17.104 1.00 0.00 H new ATOM 0 HA TYR A 156 26.499 -12.348 -16.598 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.508 -12.962 -17.841 1.00 0.00 H new ATOM 0 HB3 TYR A 156 24.793 -11.711 -19.035 1.00 0.00 H new ATOM 0 HD1 TYR A 156 26.597 -14.665 -17.543 1.00 0.00 H new ATOM 0 HD2 TYR A 156 25.743 -12.353 -21.073 1.00 0.00 H new ATOM 0 HE1 TYR A 156 27.922 -16.261 -18.909 1.00 0.00 H new ATOM 0 HE2 TYR A 156 27.062 -13.956 -22.440 1.00 0.00 H new ATOM 0 HH TYR A 156 28.295 -15.807 -22.455 1.00 0.00 H new ATOM 266 N GLN A 157 27.190 -10.109 -18.953 1.00 0.00 N ATOM 267 CA GLN A 157 28.282 -9.507 -19.707 1.00 0.00 C ATOM 268 C GLN A 157 29.394 -9.034 -18.767 1.00 0.00 C ATOM 269 O GLN A 157 30.567 -9.337 -18.993 1.00 0.00 O ATOM 270 CB GLN A 157 27.730 -8.337 -20.536 1.00 0.00 C ATOM 271 CG GLN A 157 28.853 -7.663 -21.337 1.00 0.00 C ATOM 272 CD GLN A 157 29.490 -8.633 -22.329 1.00 0.00 C ATOM 273 OE1 GLN A 157 29.033 -8.753 -23.461 1.00 0.00 O ATOM 274 NE2 GLN A 157 30.549 -9.323 -21.902 1.00 0.00 N ATOM 0 H GLN A 157 26.272 -9.721 -19.169 1.00 0.00 H new ATOM 0 HA GLN A 157 28.714 -10.251 -20.377 1.00 0.00 H new ATOM 0 HB2 GLN A 157 26.958 -8.698 -21.216 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.259 -7.608 -19.877 1.00 0.00 H new ATOM 0 HG2 GLN A 157 28.453 -6.802 -21.873 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.614 -7.287 -20.653 1.00 0.00 H new ATOM 0 HE21 GLN A 157 30.895 -9.191 -20.951 1.00 0.00 H new ATOM 0 HE22 GLN A 157 31.013 -9.983 -22.526 1.00 0.00 H new ATOM 283 N ALA A 158 29.028 -8.288 -17.721 1.00 0.00 N ATOM 284 CA ALA A 158 29.997 -7.759 -16.775 1.00 0.00 C ATOM 285 C ALA A 158 30.635 -8.893 -15.968 1.00 0.00 C ATOM 286 O ALA A 158 31.856 -8.997 -15.906 1.00 0.00 O ATOM 287 CB ALA A 158 29.297 -6.765 -15.850 1.00 0.00 C ATOM 0 H ALA A 158 28.061 -8.039 -17.513 1.00 0.00 H new ATOM 0 HA ALA A 158 30.793 -7.249 -17.317 1.00 0.00 H new ATOM 0 HB1 ALA A 158 30.016 -6.363 -15.137 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.878 -5.951 -16.441 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.496 -7.271 -15.311 1.00 0.00 H new ATOM 293 N HIS A 159 29.801 -9.734 -15.348 1.00 0.00 N ATOM 294 CA HIS A 159 30.266 -10.839 -14.516 1.00 0.00 C ATOM 295 C HIS A 159 31.201 -11.766 -15.298 1.00 0.00 C ATOM 296 O HIS A 159 32.121 -12.341 -14.725 1.00 0.00 O ATOM 297 CB HIS A 159 29.051 -11.616 -13.995 1.00 0.00 C ATOM 298 CG HIS A 159 29.418 -12.677 -12.990 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.090 -13.842 -13.335 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.218 -12.775 -11.638 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.253 -14.549 -12.198 1.00 0.00 C ATOM 302 NE2 HIS A 159 29.742 -13.951 -11.124 1.00 0.00 N ATOM 0 H HIS A 159 28.785 -9.665 -15.411 1.00 0.00 H new ATOM 0 HA HIS A 159 30.833 -10.437 -13.676 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.349 -10.918 -13.539 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.537 -12.082 -14.836 1.00 0.00 H new ATOM 0 HD1 HIS A 159 30.401 -14.111 -14.268 1.00 0.00 H new ATOM 0 HD2 HIS A 159 28.713 -12.027 -11.045 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.750 -15.507 -12.162 1.00 0.00 H new ATOM 310 N LYS A 160 30.966 -11.920 -16.602 1.00 0.00 N ATOM 311 CA LYS A 160 31.779 -12.796 -17.429 1.00 0.00 C ATOM 312 C LYS A 160 33.246 -12.368 -17.384 1.00 0.00 C ATOM 313 O LYS A 160 34.135 -13.219 -17.337 1.00 0.00 O ATOM 314 CB LYS A 160 31.248 -12.777 -18.867 1.00 0.00 C ATOM 315 CG LYS A 160 31.889 -13.909 -19.676 1.00 0.00 C ATOM 316 CD LYS A 160 31.309 -13.910 -21.094 1.00 0.00 C ATOM 317 CE LYS A 160 31.820 -15.129 -21.871 1.00 0.00 C ATOM 318 NZ LYS A 160 31.206 -16.376 -21.377 1.00 0.00 N ATOM 0 H LYS A 160 30.216 -11.445 -17.104 1.00 0.00 H new ATOM 0 HA LYS A 160 31.718 -13.814 -17.043 1.00 0.00 H new ATOM 0 HB2 LYS A 160 30.164 -12.889 -18.865 1.00 0.00 H new ATOM 0 HB3 LYS A 160 31.468 -11.816 -19.332 1.00 0.00 H new ATOM 0 HG2 LYS A 160 32.970 -13.777 -19.713 1.00 0.00 H new ATOM 0 HG3 LYS A 160 31.701 -14.868 -19.193 1.00 0.00 H new ATOM 0 HD2 LYS A 160 30.220 -13.927 -21.050 1.00 0.00 H new ATOM 0 HD3 LYS A 160 31.592 -12.994 -21.612 1.00 0.00 H new ATOM 0 HE2 LYS A 160 31.597 -15.007 -22.931 1.00 0.00 H new ATOM 0 HE3 LYS A 160 32.904 -15.194 -21.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 31.465 -17.163 -22.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 31.548 -16.574 -20.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 30.171 -16.271 -21.362 1.00 0.00 H new ATOM 332 N ARG A 161 33.494 -11.054 -17.407 1.00 0.00 N ATOM 333 CA ARG A 161 34.847 -10.517 -17.421 1.00 0.00 C ATOM 334 C ARG A 161 35.351 -10.244 -16.000 1.00 0.00 C ATOM 335 O ARG A 161 36.490 -10.574 -15.678 1.00 0.00 O ATOM 336 CB ARG A 161 34.846 -9.225 -18.255 1.00 0.00 C ATOM 337 CG ARG A 161 36.274 -8.667 -18.407 1.00 0.00 C ATOM 338 CD ARG A 161 37.075 -9.495 -19.421 1.00 0.00 C ATOM 339 NE ARG A 161 36.494 -9.393 -20.766 1.00 0.00 N ATOM 340 CZ ARG A 161 37.002 -10.032 -21.835 1.00 0.00 C ATOM 341 NH1 ARG A 161 38.088 -10.807 -21.704 1.00 0.00 N ATOM 342 NH2 ARG A 161 36.420 -9.893 -23.034 1.00 0.00 N ATOM 0 H ARG A 161 32.764 -10.342 -17.416 1.00 0.00 H new ATOM 0 HA ARG A 161 35.523 -11.248 -17.865 1.00 0.00 H new ATOM 0 HB2 ARG A 161 34.422 -9.423 -19.239 1.00 0.00 H new ATOM 0 HB3 ARG A 161 34.209 -8.480 -17.778 1.00 0.00 H new ATOM 0 HG2 ARG A 161 36.231 -7.627 -18.732 1.00 0.00 H new ATOM 0 HG3 ARG A 161 36.779 -8.678 -17.441 1.00 0.00 H new ATOM 0 HD2 ARG A 161 38.109 -9.150 -19.441 1.00 0.00 H new ATOM 0 HD3 ARG A 161 37.094 -10.539 -19.108 1.00 0.00 H new ATOM 0 HE ARG A 161 35.667 -8.810 -20.895 1.00 0.00 H new ATOM 0 HH11 ARG A 161 38.532 -10.913 -20.792 1.00 0.00 H new ATOM 0 HH12 ARG A 161 38.471 -11.290 -22.517 1.00 0.00 H new ATOM 0 HH21 ARG A 161 35.594 -9.304 -23.135 1.00 0.00 H new ATOM 0 HH22 ARG A 161 36.803 -10.377 -23.846 1.00 0.00 H new ATOM 356 N LEU A 162 34.514 -9.626 -15.158 1.00 0.00 N ATOM 357 CA LEU A 162 34.922 -9.234 -13.811 1.00 0.00 C ATOM 358 C LEU A 162 34.771 -10.398 -12.832 1.00 0.00 C ATOM 359 O LEU A 162 35.719 -10.738 -12.121 1.00 0.00 O ATOM 360 CB LEU A 162 34.089 -8.024 -13.342 1.00 0.00 C ATOM 361 CG LEU A 162 34.143 -6.886 -14.377 1.00 0.00 C ATOM 362 CD1 LEU A 162 33.288 -5.717 -13.883 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.588 -6.412 -14.567 1.00 0.00 C ATOM 0 H LEU A 162 33.550 -9.388 -15.390 1.00 0.00 H new ATOM 0 HA LEU A 162 35.975 -8.953 -13.837 1.00 0.00 H new ATOM 0 HB2 LEU A 162 33.054 -8.329 -13.184 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.466 -7.667 -12.383 1.00 0.00 H new ATOM 0 HG LEU A 162 33.761 -7.251 -15.330 1.00 0.00 H new ATOM 0 HD11 LEU A 162 33.322 -4.908 -14.612 1.00 0.00 H new ATOM 0 HD12 LEU A 162 32.257 -6.048 -13.757 1.00 0.00 H new ATOM 0 HD13 LEU A 162 33.675 -5.362 -12.928 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.613 -5.607 -15.301 1.00 0.00 H new ATOM 0 HD22 LEU A 162 35.980 -6.049 -13.617 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.200 -7.243 -14.918 1.00 0.00 H new ATOM 375 N GLY A 163 33.578 -10.996 -12.784 1.00 0.00 N ATOM 376 CA GLY A 163 33.281 -12.080 -11.860 1.00 0.00 C ATOM 377 C GLY A 163 32.261 -11.595 -10.838 1.00 0.00 C ATOM 378 O GLY A 163 31.344 -10.856 -11.188 1.00 0.00 O ATOM 0 H GLY A 163 32.796 -10.739 -13.386 1.00 0.00 H new ATOM 0 HA2 GLY A 163 32.890 -12.941 -12.403 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.191 -12.406 -11.357 1.00 0.00 H new ATOM 382 N ASN A 164 32.421 -12.000 -9.571 1.00 0.00 N ATOM 383 CA ASN A 164 31.498 -11.602 -8.509 1.00 0.00 C ATOM 384 C ASN A 164 31.792 -10.171 -8.047 1.00 0.00 C ATOM 385 O ASN A 164 31.779 -9.893 -6.849 1.00 0.00 O ATOM 386 CB ASN A 164 31.616 -12.575 -7.328 1.00 0.00 C ATOM 387 CG ASN A 164 31.511 -14.026 -7.791 1.00 0.00 C ATOM 388 OD1 ASN A 164 32.657 -14.690 -7.956 1.00 0.00 O flip ATOM 389 ND2 ASN A 164 30.414 -14.536 -7.994 1.00 0.00 N flip ATOM 0 H ASN A 164 33.183 -12.603 -9.260 1.00 0.00 H new ATOM 0 HA ASN A 164 30.481 -11.633 -8.899 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.569 -12.421 -6.821 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.831 -12.365 -6.602 1.00 0.00 H new ATOM 0 HD21 ASN A 164 29.564 -13.990 -7.855 1.00 0.00 H new ATOM 0 HD22 ASN A 164 30.352 -15.506 -8.302 1.00 0.00 H new ATOM 396 N ARG A 165 32.052 -9.259 -8.993 1.00 0.00 N ATOM 397 CA ARG A 165 32.319 -7.867 -8.671 1.00 0.00 C ATOM 398 C ARG A 165 30.990 -7.130 -8.602 1.00 0.00 C ATOM 399 O ARG A 165 30.718 -6.243 -9.414 1.00 0.00 O ATOM 400 CB ARG A 165 33.235 -7.242 -9.735 1.00 0.00 C ATOM 401 CG ARG A 165 34.710 -7.534 -9.420 1.00 0.00 C ATOM 402 CD ARG A 165 35.038 -9.004 -9.691 1.00 0.00 C ATOM 403 NE ARG A 165 34.960 -9.805 -8.464 1.00 0.00 N ATOM 404 CZ ARG A 165 35.451 -11.052 -8.372 1.00 0.00 C ATOM 405 NH1 ARG A 165 35.989 -11.648 -9.447 1.00 0.00 N ATOM 406 NH2 ARG A 165 35.402 -11.703 -7.202 1.00 0.00 N ATOM 0 H ARG A 165 32.081 -9.470 -9.990 1.00 0.00 H new ATOM 0 HA ARG A 165 32.829 -7.793 -7.711 1.00 0.00 H new ATOM 0 HB2 ARG A 165 32.982 -7.639 -10.718 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.073 -6.165 -9.775 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.351 -6.895 -10.028 1.00 0.00 H new ATOM 0 HG3 ARG A 165 34.919 -7.295 -8.377 1.00 0.00 H new ATOM 0 HD2 ARG A 165 34.345 -9.402 -10.432 1.00 0.00 H new ATOM 0 HD3 ARG A 165 36.039 -9.083 -10.116 1.00 0.00 H new ATOM 0 HE ARG A 165 34.513 -9.396 -7.644 1.00 0.00 H new ATOM 0 HH11 ARG A 165 36.026 -11.154 -10.339 1.00 0.00 H new ATOM 0 HH12 ARG A 165 36.361 -12.595 -9.373 1.00 0.00 H new ATOM 0 HH21 ARG A 165 34.993 -11.252 -6.384 1.00 0.00 H new ATOM 0 HH22 ARG A 165 35.774 -12.650 -7.129 1.00 0.00 H new ATOM 420 N TRP A 166 30.153 -7.502 -7.628 1.00 0.00 N ATOM 421 CA TRP A 166 28.855 -6.877 -7.465 1.00 0.00 C ATOM 422 C TRP A 166 29.028 -5.388 -7.237 1.00 0.00 C ATOM 423 O TRP A 166 28.162 -4.630 -7.586 1.00 0.00 O ATOM 424 CB TRP A 166 28.101 -7.490 -6.293 1.00 0.00 C ATOM 425 CG TRP A 166 28.285 -8.953 -6.118 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.802 -9.523 -5.035 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.963 -10.048 -7.023 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.842 -10.889 -5.163 1.00 0.00 N ATOM 429 CE2 TRP A 166 28.328 -11.276 -6.387 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.400 -10.140 -8.315 1.00 0.00 C ATOM 431 CZ2 TRP A 166 28.144 -12.517 -6.995 1.00 0.00 C ATOM 432 CZ3 TRP A 166 27.211 -11.394 -8.933 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.587 -12.577 -8.274 1.00 0.00 C ATOM 0 H TRP A 166 30.359 -8.232 -6.946 1.00 0.00 H new ATOM 0 HA TRP A 166 28.277 -7.044 -8.374 1.00 0.00 H new ATOM 0 HB2 TRP A 166 28.415 -6.989 -5.378 1.00 0.00 H new ATOM 0 HB3 TRP A 166 27.038 -7.286 -6.419 1.00 0.00 H new ATOM 0 HD1 TRP A 166 29.146 -8.982 -4.166 1.00 0.00 H new ATOM 0 HE1 TRP A 166 29.201 -11.529 -4.454 1.00 0.00 H new ATOM 0 HE3 TRP A 166 27.111 -9.239 -8.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 28.430 -13.423 -6.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.774 -11.445 -9.919 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.445 -13.533 -8.757 1.00 0.00 H new ATOM 444 N ALA A 167 30.152 -4.972 -6.649 1.00 0.00 N ATOM 445 CA ALA A 167 30.403 -3.563 -6.406 1.00 0.00 C ATOM 446 C ALA A 167 30.276 -2.780 -7.716 1.00 0.00 C ATOM 447 O ALA A 167 29.590 -1.763 -7.766 1.00 0.00 O ATOM 448 CB ALA A 167 31.800 -3.394 -5.807 1.00 0.00 C ATOM 0 H ALA A 167 30.897 -5.595 -6.336 1.00 0.00 H new ATOM 0 HA ALA A 167 29.669 -3.173 -5.701 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.992 -2.337 -5.623 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.862 -3.943 -4.867 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.544 -3.782 -6.503 1.00 0.00 H new ATOM 454 N GLU A 168 30.940 -3.260 -8.773 1.00 0.00 N ATOM 455 CA GLU A 168 30.925 -2.594 -10.066 1.00 0.00 C ATOM 456 C GLU A 168 29.566 -2.773 -10.742 1.00 0.00 C ATOM 457 O GLU A 168 28.937 -1.791 -11.132 1.00 0.00 O ATOM 458 CB GLU A 168 32.054 -3.156 -10.940 1.00 0.00 C ATOM 459 CG GLU A 168 33.399 -3.039 -10.206 1.00 0.00 C ATOM 460 CD GLU A 168 33.632 -1.617 -9.701 1.00 0.00 C ATOM 461 OE1 GLU A 168 33.991 -0.768 -10.543 1.00 0.00 O ATOM 462 OE2 GLU A 168 33.442 -1.407 -8.481 1.00 0.00 O ATOM 0 H GLU A 168 31.497 -4.114 -8.750 1.00 0.00 H new ATOM 0 HA GLU A 168 31.087 -1.525 -9.926 1.00 0.00 H new ATOM 0 HB2 GLU A 168 31.852 -4.200 -11.181 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.098 -2.613 -11.884 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.419 -3.734 -9.366 1.00 0.00 H new ATOM 0 HG3 GLU A 168 34.208 -3.326 -10.877 1.00 0.00 H new ATOM 469 N ILE A 169 29.110 -4.025 -10.884 1.00 0.00 N ATOM 470 CA ILE A 169 27.819 -4.311 -11.513 1.00 0.00 C ATOM 471 C ILE A 169 26.703 -3.510 -10.815 1.00 0.00 C ATOM 472 O ILE A 169 25.788 -3.014 -11.471 1.00 0.00 O ATOM 473 CB ILE A 169 27.541 -5.826 -11.450 1.00 0.00 C ATOM 474 CG1 ILE A 169 28.670 -6.587 -12.173 1.00 0.00 C ATOM 475 CG2 ILE A 169 26.200 -6.133 -12.133 1.00 0.00 C ATOM 476 CD1 ILE A 169 28.498 -8.098 -11.991 1.00 0.00 C ATOM 0 H ILE A 169 29.617 -4.853 -10.571 1.00 0.00 H new ATOM 0 HA ILE A 169 27.845 -4.008 -12.560 1.00 0.00 H new ATOM 0 HB ILE A 169 27.498 -6.142 -10.408 1.00 0.00 H new ATOM 0 HG12 ILE A 169 28.662 -6.339 -13.234 1.00 0.00 H new ATOM 0 HG13 ILE A 169 29.637 -6.275 -11.780 1.00 0.00 H new ATOM 0 HG21 ILE A 169 26.005 -7.205 -12.087 1.00 0.00 H new ATOM 0 HG22 ILE A 169 25.400 -5.597 -11.622 1.00 0.00 H new ATOM 0 HG23 ILE A 169 26.241 -5.816 -13.175 1.00 0.00 H new ATOM 0 HD11 ILE A 169 29.303 -8.621 -12.507 1.00 0.00 H new ATOM 0 HD12 ILE A 169 28.529 -8.342 -10.929 1.00 0.00 H new ATOM 0 HD13 ILE A 169 27.539 -8.408 -12.407 1.00 0.00 H new ATOM 488 N ALA A 170 26.790 -3.390 -9.487 1.00 0.00 N ATOM 489 CA ALA A 170 25.804 -2.669 -8.691 1.00 0.00 C ATOM 490 C ALA A 170 25.890 -1.171 -8.989 1.00 0.00 C ATOM 491 O ALA A 170 24.866 -0.525 -9.183 1.00 0.00 O ATOM 492 CB ALA A 170 26.036 -2.956 -7.196 1.00 0.00 C ATOM 0 H ALA A 170 27.549 -3.792 -8.937 1.00 0.00 H new ATOM 0 HA ALA A 170 24.801 -3.008 -8.952 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.298 -2.416 -6.603 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.938 -4.026 -7.011 1.00 0.00 H new ATOM 0 HB3 ALA A 170 27.037 -2.630 -6.914 1.00 0.00 H new ATOM 498 N LYS A 171 27.112 -0.619 -9.036 1.00 0.00 N ATOM 499 CA LYS A 171 27.306 0.797 -9.344 1.00 0.00 C ATOM 500 C LYS A 171 26.703 1.114 -10.716 1.00 0.00 C ATOM 501 O LYS A 171 26.089 2.164 -10.897 1.00 0.00 O ATOM 502 CB LYS A 171 28.802 1.129 -9.331 1.00 0.00 C ATOM 503 CG LYS A 171 29.298 1.268 -7.888 1.00 0.00 C ATOM 504 CD LYS A 171 30.831 1.183 -7.867 1.00 0.00 C ATOM 505 CE LYS A 171 31.332 1.051 -6.426 1.00 0.00 C ATOM 506 NZ LYS A 171 31.047 2.269 -5.647 1.00 0.00 N ATOM 0 H LYS A 171 27.976 -1.134 -8.864 1.00 0.00 H new ATOM 0 HA LYS A 171 26.805 1.404 -8.590 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.361 0.345 -9.842 1.00 0.00 H new ATOM 0 HB3 LYS A 171 28.982 2.056 -9.876 1.00 0.00 H new ATOM 0 HG2 LYS A 171 28.969 2.219 -7.469 1.00 0.00 H new ATOM 0 HG3 LYS A 171 28.870 0.481 -7.267 1.00 0.00 H new ATOM 0 HD2 LYS A 171 31.163 0.328 -8.455 1.00 0.00 H new ATOM 0 HD3 LYS A 171 31.259 2.073 -8.329 1.00 0.00 H new ATOM 0 HE2 LYS A 171 30.857 0.193 -5.951 1.00 0.00 H new ATOM 0 HE3 LYS A 171 32.405 0.861 -6.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 31.443 2.170 -4.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 31.479 3.090 -6.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 30.018 2.408 -5.583 1.00 0.00 H new ATOM 520 N LEU A 172 26.884 0.200 -11.679 1.00 0.00 N ATOM 521 CA LEU A 172 26.367 0.379 -13.031 1.00 0.00 C ATOM 522 C LEU A 172 24.835 0.281 -13.047 1.00 0.00 C ATOM 523 O LEU A 172 24.205 0.726 -14.005 1.00 0.00 O ATOM 524 CB LEU A 172 26.981 -0.683 -13.953 1.00 0.00 C ATOM 525 CG LEU A 172 28.480 -0.411 -14.160 1.00 0.00 C ATOM 526 CD1 LEU A 172 29.163 -1.683 -14.668 1.00 0.00 C ATOM 527 CD2 LEU A 172 28.673 0.710 -15.188 1.00 0.00 C ATOM 0 H LEU A 172 27.389 -0.675 -11.539 1.00 0.00 H new ATOM 0 HA LEU A 172 26.642 1.372 -13.388 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.841 -1.674 -13.521 1.00 0.00 H new ATOM 0 HB3 LEU A 172 26.468 -0.679 -14.915 1.00 0.00 H new ATOM 0 HG LEU A 172 28.921 -0.108 -13.210 1.00 0.00 H new ATOM 0 HD11 LEU A 172 30.226 -1.491 -14.815 1.00 0.00 H new ATOM 0 HD12 LEU A 172 29.036 -2.481 -13.937 1.00 0.00 H new ATOM 0 HD13 LEU A 172 28.714 -1.984 -15.615 1.00 0.00 H new ATOM 0 HD21 LEU A 172 29.738 0.896 -15.328 1.00 0.00 H new ATOM 0 HD22 LEU A 172 28.228 0.413 -16.138 1.00 0.00 H new ATOM 0 HD23 LEU A 172 28.190 1.619 -14.830 1.00 0.00 H new ATOM 539 N LEU A 173 24.239 -0.299 -11.990 1.00 0.00 N ATOM 540 CA LEU A 173 22.789 -0.449 -11.891 1.00 0.00 C ATOM 541 C LEU A 173 22.288 0.232 -10.608 1.00 0.00 C ATOM 542 O LEU A 173 22.038 -0.446 -9.612 1.00 0.00 O ATOM 543 CB LEU A 173 22.434 -1.945 -11.877 1.00 0.00 C ATOM 544 CG LEU A 173 22.840 -2.616 -13.201 1.00 0.00 C ATOM 545 CD1 LEU A 173 22.678 -4.132 -13.066 1.00 0.00 C ATOM 546 CD2 LEU A 173 21.951 -2.114 -14.345 1.00 0.00 C ATOM 0 H LEU A 173 24.750 -0.672 -11.190 1.00 0.00 H new ATOM 0 HA LEU A 173 22.308 0.022 -12.748 1.00 0.00 H new ATOM 0 HB2 LEU A 173 22.940 -2.436 -11.045 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.363 -2.068 -11.715 1.00 0.00 H new ATOM 0 HG LEU A 173 23.878 -2.368 -13.422 1.00 0.00 H new ATOM 0 HD11 LEU A 173 22.964 -4.613 -14.001 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.316 -4.496 -12.261 1.00 0.00 H new ATOM 0 HD13 LEU A 173 21.638 -4.368 -12.840 1.00 0.00 H new ATOM 0 HD21 LEU A 173 22.249 -2.597 -15.276 1.00 0.00 H new ATOM 0 HD22 LEU A 173 20.910 -2.354 -14.129 1.00 0.00 H new ATOM 0 HD23 LEU A 173 22.061 -1.034 -14.445 1.00 0.00 H new ATOM 558 N PRO A 174 22.136 1.576 -10.624 1.00 0.00 N ATOM 559 CA PRO A 174 21.682 2.328 -9.467 1.00 0.00 C ATOM 560 C PRO A 174 20.313 1.840 -8.982 1.00 0.00 C ATOM 561 O PRO A 174 20.021 1.911 -7.791 1.00 0.00 O ATOM 562 CB PRO A 174 21.623 3.793 -9.914 1.00 0.00 C ATOM 563 CG PRO A 174 22.096 3.838 -11.371 1.00 0.00 C ATOM 564 CD PRO A 174 22.413 2.400 -11.783 1.00 0.00 C ATOM 0 HA PRO A 174 22.359 2.197 -8.623 1.00 0.00 H new ATOM 0 HB2 PRO A 174 20.609 4.182 -9.826 1.00 0.00 H new ATOM 0 HB3 PRO A 174 22.259 4.414 -9.283 1.00 0.00 H new ATOM 0 HG2 PRO A 174 21.325 4.262 -12.014 1.00 0.00 H new ATOM 0 HG3 PRO A 174 22.978 4.471 -11.471 1.00 0.00 H new ATOM 0 HD2 PRO A 174 21.802 2.095 -12.632 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.455 2.304 -12.089 1.00 0.00 H new ATOM 572 N GLY A 175 19.475 1.344 -9.905 1.00 0.00 N ATOM 573 CA GLY A 175 18.146 0.851 -9.561 1.00 0.00 C ATOM 574 C GLY A 175 18.215 -0.539 -8.912 1.00 0.00 C ATOM 575 O GLY A 175 17.176 -1.164 -8.689 1.00 0.00 O ATOM 0 H GLY A 175 19.702 1.276 -10.897 1.00 0.00 H new ATOM 0 HA2 GLY A 175 17.663 1.550 -8.878 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.530 0.805 -10.459 1.00 0.00 H new ATOM 579 N ARG A 176 19.435 -1.021 -8.612 1.00 0.00 N ATOM 580 CA ARG A 176 19.643 -2.321 -7.987 1.00 0.00 C ATOM 581 C ARG A 176 20.683 -2.179 -6.873 1.00 0.00 C ATOM 582 O ARG A 176 21.164 -1.077 -6.611 1.00 0.00 O ATOM 583 CB ARG A 176 20.126 -3.332 -9.043 1.00 0.00 C ATOM 584 CG ARG A 176 19.122 -3.440 -10.203 1.00 0.00 C ATOM 585 CD ARG A 176 17.856 -4.168 -9.743 1.00 0.00 C ATOM 586 NE ARG A 176 16.926 -4.353 -10.868 1.00 0.00 N ATOM 587 CZ ARG A 176 15.685 -3.832 -10.912 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.322 -2.850 -10.070 1.00 0.00 N ATOM 589 NH2 ARG A 176 14.807 -4.298 -11.808 1.00 0.00 N ATOM 0 H ARG A 176 20.299 -0.512 -8.800 1.00 0.00 H new ATOM 0 HA ARG A 176 18.707 -2.682 -7.561 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.099 -3.025 -9.427 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.260 -4.310 -8.581 1.00 0.00 H new ATOM 0 HG2 ARG A 176 18.866 -2.444 -10.565 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.575 -3.976 -11.037 1.00 0.00 H new ATOM 0 HD2 ARG A 176 18.121 -5.137 -9.320 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.369 -3.597 -8.952 1.00 0.00 H new ATOM 0 HE ARG A 176 17.240 -4.910 -11.663 1.00 0.00 H new ATOM 0 HH11 ARG A 176 15.989 -2.491 -9.387 1.00 0.00 H new ATOM 0 HH12 ARG A 176 14.379 -2.464 -10.113 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.080 -5.042 -12.450 1.00 0.00 H new ATOM 0 HH22 ARG A 176 13.865 -3.909 -11.849 1.00 0.00 H new ATOM 603 N THR A 177 21.027 -3.298 -6.219 1.00 0.00 N ATOM 604 CA THR A 177 22.010 -3.303 -5.141 1.00 0.00 C ATOM 605 C THR A 177 22.900 -4.534 -5.269 1.00 0.00 C ATOM 606 O THR A 177 22.506 -5.525 -5.888 1.00 0.00 O ATOM 607 CB THR A 177 21.295 -3.309 -3.782 1.00 0.00 C ATOM 608 OG1 THR A 177 20.450 -4.438 -3.696 1.00 0.00 O ATOM 609 CG2 THR A 177 20.463 -2.035 -3.616 1.00 0.00 C ATOM 0 H THR A 177 20.632 -4.215 -6.425 1.00 0.00 H new ATOM 0 HA THR A 177 22.626 -2.407 -5.210 1.00 0.00 H new ATOM 0 HB THR A 177 22.043 -3.350 -2.990 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.996 -4.441 -2.828 1.00 0.00 H new ATOM 0 HG21 THR A 177 19.961 -2.052 -2.649 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.116 -1.164 -3.671 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.718 -1.981 -4.410 1.00 0.00 H new ATOM 617 N ASP A 178 24.098 -4.474 -4.675 1.00 0.00 N ATOM 618 CA ASP A 178 25.031 -5.589 -4.698 1.00 0.00 C ATOM 619 C ASP A 178 24.376 -6.821 -4.075 1.00 0.00 C ATOM 620 O ASP A 178 24.567 -7.932 -4.556 1.00 0.00 O ATOM 621 CB ASP A 178 26.303 -5.205 -3.934 1.00 0.00 C ATOM 622 CG ASP A 178 25.997 -4.898 -2.473 1.00 0.00 C ATOM 623 OD1 ASP A 178 25.422 -3.815 -2.231 1.00 0.00 O ATOM 624 OD2 ASP A 178 26.340 -5.755 -1.629 1.00 0.00 O ATOM 0 H ASP A 178 24.439 -3.655 -4.171 1.00 0.00 H new ATOM 0 HA ASP A 178 25.299 -5.825 -5.728 1.00 0.00 H new ATOM 0 HB2 ASP A 178 27.026 -6.019 -3.994 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.763 -4.335 -4.403 1.00 0.00 H new ATOM 629 N ASN A 179 23.598 -6.614 -3.006 1.00 0.00 N ATOM 630 CA ASN A 179 22.911 -7.699 -2.324 1.00 0.00 C ATOM 631 C ASN A 179 21.925 -8.372 -3.276 1.00 0.00 C ATOM 632 O ASN A 179 21.903 -9.598 -3.384 1.00 0.00 O ATOM 633 CB ASN A 179 22.177 -7.145 -1.099 1.00 0.00 C ATOM 634 CG ASN A 179 23.142 -6.446 -0.148 1.00 0.00 C ATOM 635 OD1 ASN A 179 23.160 -5.222 -0.071 1.00 0.00 O ATOM 636 ND2 ASN A 179 23.944 -7.228 0.575 1.00 0.00 N ATOM 0 H ASN A 179 23.432 -5.694 -2.598 1.00 0.00 H new ATOM 0 HA ASN A 179 23.638 -8.443 -1.998 1.00 0.00 H new ATOM 0 HB2 ASN A 179 21.406 -6.444 -1.420 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.672 -7.957 -0.576 1.00 0.00 H new ATOM 0 HD21 ASN A 179 24.609 -6.812 1.227 1.00 0.00 H new ATOM 0 HD22 ASN A 179 23.892 -8.242 0.476 1.00 0.00 H new ATOM 643 N ALA A 180 21.106 -7.563 -3.963 1.00 0.00 N ATOM 644 CA ALA A 180 20.106 -8.076 -4.886 1.00 0.00 C ATOM 645 C ALA A 180 20.772 -8.870 -6.009 1.00 0.00 C ATOM 646 O ALA A 180 20.351 -9.985 -6.304 1.00 0.00 O ATOM 647 CB ALA A 180 19.296 -6.911 -5.456 1.00 0.00 C ATOM 0 H ALA A 180 21.124 -6.546 -3.890 1.00 0.00 H new ATOM 0 HA ALA A 180 19.435 -8.748 -4.351 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.546 -7.294 -6.148 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.802 -6.379 -4.643 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.962 -6.229 -5.984 1.00 0.00 H new ATOM 653 N ILE A 181 21.806 -8.294 -6.638 1.00 0.00 N ATOM 654 CA ILE A 181 22.502 -8.949 -7.741 1.00 0.00 C ATOM 655 C ILE A 181 23.149 -10.247 -7.256 1.00 0.00 C ATOM 656 O ILE A 181 22.987 -11.288 -7.882 1.00 0.00 O ATOM 657 CB ILE A 181 23.565 -8.004 -8.325 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.892 -6.762 -8.920 1.00 0.00 C ATOM 659 CG2 ILE A 181 24.337 -8.731 -9.433 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.874 -5.592 -8.935 1.00 0.00 C ATOM 0 H ILE A 181 22.175 -7.374 -6.397 1.00 0.00 H new ATOM 0 HA ILE A 181 21.783 -9.191 -8.523 1.00 0.00 H new ATOM 0 HB ILE A 181 24.247 -7.701 -7.530 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.550 -6.974 -9.933 1.00 0.00 H new ATOM 0 HG13 ILE A 181 22.011 -6.500 -8.335 1.00 0.00 H new ATOM 0 HG21 ILE A 181 25.091 -8.063 -9.849 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.823 -9.614 -9.019 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.646 -9.033 -10.220 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.387 -4.714 -9.359 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.194 -5.373 -7.916 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.742 -5.853 -9.540 1.00 0.00 H new ATOM 672 N LYS A 182 23.885 -10.174 -6.143 1.00 0.00 N ATOM 673 CA LYS A 182 24.570 -11.328 -5.579 1.00 0.00 C ATOM 674 C LYS A 182 23.582 -12.476 -5.361 1.00 0.00 C ATOM 675 O LYS A 182 23.823 -13.600 -5.808 1.00 0.00 O ATOM 676 CB LYS A 182 25.229 -10.907 -4.259 1.00 0.00 C ATOM 677 CG LYS A 182 25.992 -12.085 -3.643 1.00 0.00 C ATOM 678 CD LYS A 182 26.872 -11.592 -2.485 1.00 0.00 C ATOM 679 CE LYS A 182 25.997 -11.075 -1.336 1.00 0.00 C ATOM 680 NZ LYS A 182 26.823 -10.682 -0.180 1.00 0.00 N ATOM 0 H LYS A 182 24.019 -9.313 -5.613 1.00 0.00 H new ATOM 0 HA LYS A 182 25.338 -11.682 -6.267 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.912 -10.076 -4.435 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.469 -10.554 -3.562 1.00 0.00 H new ATOM 0 HG2 LYS A 182 25.289 -12.836 -3.282 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.610 -12.565 -4.402 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.507 -12.404 -2.131 1.00 0.00 H new ATOM 0 HD3 LYS A 182 27.533 -10.799 -2.834 1.00 0.00 H new ATOM 0 HE2 LYS A 182 25.411 -10.221 -1.676 1.00 0.00 H new ATOM 0 HE3 LYS A 182 25.290 -11.848 -1.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 26.208 -10.336 0.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 27.363 -11.505 0.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 27.481 -9.928 -0.464 1.00 0.00 H new ATOM 694 N ASN A 183 22.472 -12.190 -4.672 1.00 0.00 N ATOM 695 CA ASN A 183 21.456 -13.191 -4.383 1.00 0.00 C ATOM 696 C ASN A 183 20.859 -13.739 -5.680 1.00 0.00 C ATOM 697 O ASN A 183 20.792 -14.952 -5.868 1.00 0.00 O ATOM 698 CB ASN A 183 20.365 -12.561 -3.513 1.00 0.00 C ATOM 699 CG ASN A 183 19.200 -13.524 -3.318 1.00 0.00 C ATOM 700 OD1 ASN A 183 19.257 -14.406 -2.467 1.00 0.00 O ATOM 701 ND2 ASN A 183 18.141 -13.355 -4.111 1.00 0.00 N ATOM 0 H ASN A 183 22.259 -11.263 -4.304 1.00 0.00 H new ATOM 0 HA ASN A 183 21.911 -14.023 -3.846 1.00 0.00 H new ATOM 0 HB2 ASN A 183 20.781 -12.286 -2.544 1.00 0.00 H new ATOM 0 HB3 ASN A 183 20.008 -11.642 -3.979 1.00 0.00 H new ATOM 0 HD21 ASN A 183 17.334 -13.973 -4.023 1.00 0.00 H new ATOM 0 HD22 ASN A 183 18.138 -12.608 -4.805 1.00 0.00 H new ATOM 708 N HIS A 184 20.421 -12.840 -6.568 1.00 0.00 N ATOM 709 CA HIS A 184 19.804 -13.224 -7.831 1.00 0.00 C ATOM 710 C HIS A 184 20.724 -14.146 -8.626 1.00 0.00 C ATOM 711 O HIS A 184 20.286 -15.182 -9.105 1.00 0.00 O ATOM 712 CB HIS A 184 19.481 -11.965 -8.637 1.00 0.00 C ATOM 713 CG HIS A 184 19.361 -12.231 -10.116 1.00 0.00 C ATOM 714 ND1 HIS A 184 18.513 -13.199 -10.646 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.985 -11.677 -11.204 1.00 0.00 C ATOM 716 CE1 HIS A 184 18.675 -13.165 -11.984 1.00 0.00 C ATOM 717 NE2 HIS A 184 19.563 -12.257 -12.389 1.00 0.00 N ATOM 0 H HIS A 184 20.486 -11.832 -6.428 1.00 0.00 H new ATOM 0 HA HIS A 184 18.883 -13.769 -7.626 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.547 -11.536 -8.273 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.260 -11.222 -8.469 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.717 -10.885 -11.144 1.00 0.00 H new ATOM 0 HE1 HIS A 184 18.137 -13.811 -12.662 1.00 0.00 H new ATOM 0 HE2 HIS A 184 19.860 -12.042 -13.341 1.00 0.00 H new ATOM 725 N TRP A 185 21.990 -13.762 -8.777 1.00 0.00 N ATOM 726 CA TRP A 185 22.941 -14.543 -9.546 1.00 0.00 C ATOM 727 C TRP A 185 23.048 -15.960 -8.984 1.00 0.00 C ATOM 728 O TRP A 185 22.925 -16.927 -9.726 1.00 0.00 O ATOM 729 CB TRP A 185 24.304 -13.850 -9.524 1.00 0.00 C ATOM 730 CG TRP A 185 25.360 -14.556 -10.315 1.00 0.00 C ATOM 731 CD1 TRP A 185 26.206 -15.480 -9.839 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.695 -14.421 -11.728 1.00 0.00 C ATOM 733 NE1 TRP A 185 27.043 -15.937 -10.825 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.769 -15.316 -12.025 1.00 0.00 C ATOM 735 CE3 TRP A 185 25.204 -13.639 -12.794 1.00 0.00 C ATOM 736 CZ2 TRP A 185 27.319 -15.428 -13.302 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.756 -13.749 -14.088 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.813 -14.641 -14.339 1.00 0.00 C ATOM 0 H TRP A 185 22.377 -12.909 -8.372 1.00 0.00 H new ATOM 0 HA TRP A 185 22.595 -14.615 -10.577 1.00 0.00 H new ATOM 0 HB2 TRP A 185 24.191 -12.837 -9.911 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.638 -13.761 -8.490 1.00 0.00 H new ATOM 0 HD1 TRP A 185 26.226 -15.820 -8.814 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.769 -16.640 -10.689 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.394 -12.946 -12.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 28.129 -16.118 -13.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.363 -13.143 -14.891 1.00 0.00 H new ATOM 0 HH2 TRP A 185 27.233 -14.718 -15.331 1.00 0.00 H new ATOM 749 N ASN A 186 23.284 -16.077 -7.674 1.00 0.00 N ATOM 750 CA ASN A 186 23.449 -17.375 -7.030 1.00 0.00 C ATOM 751 C ASN A 186 22.173 -18.215 -7.135 1.00 0.00 C ATOM 752 O ASN A 186 22.245 -19.419 -7.366 1.00 0.00 O ATOM 753 CB ASN A 186 23.826 -17.167 -5.559 1.00 0.00 C ATOM 754 CG ASN A 186 25.325 -16.934 -5.406 1.00 0.00 C ATOM 755 OD1 ASN A 186 26.070 -17.864 -5.101 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.768 -15.696 -5.619 1.00 0.00 N ATOM 0 H ASN A 186 23.365 -15.282 -7.040 1.00 0.00 H new ATOM 0 HA ASN A 186 24.245 -17.917 -7.541 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.279 -16.314 -5.157 1.00 0.00 H new ATOM 0 HB3 ASN A 186 23.529 -18.039 -4.977 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.763 -15.488 -5.531 1.00 0.00 H new ATOM 0 HD22 ASN A 186 25.113 -14.956 -5.870 1.00 0.00 H new ATOM 763 N SER A 187 21.012 -17.586 -6.948 1.00 0.00 N ATOM 764 CA SER A 187 19.738 -18.292 -6.951 1.00 0.00 C ATOM 765 C SER A 187 19.324 -18.712 -8.366 1.00 0.00 C ATOM 766 O SER A 187 18.831 -19.822 -8.557 1.00 0.00 O ATOM 767 CB SER A 187 18.671 -17.386 -6.331 1.00 0.00 C ATOM 768 OG SER A 187 17.475 -18.114 -6.147 1.00 0.00 O ATOM 0 H SER A 187 20.932 -16.581 -6.792 1.00 0.00 H new ATOM 0 HA SER A 187 19.843 -19.205 -6.364 1.00 0.00 H new ATOM 0 HB2 SER A 187 19.022 -16.997 -5.375 1.00 0.00 H new ATOM 0 HB3 SER A 187 18.489 -16.527 -6.977 1.00 0.00 H new ATOM 0 HG SER A 187 16.795 -17.531 -5.749 1.00 0.00 H new ATOM 774 N THR A 188 19.498 -17.821 -9.347 1.00 0.00 N ATOM 775 CA THR A 188 19.056 -18.073 -10.713 1.00 0.00 C ATOM 776 C THR A 188 20.168 -18.701 -11.559 1.00 0.00 C ATOM 777 O THR A 188 20.050 -19.854 -11.970 1.00 0.00 O ATOM 778 CB THR A 188 18.579 -16.750 -11.335 1.00 0.00 C ATOM 779 OG1 THR A 188 17.641 -16.135 -10.474 1.00 0.00 O ATOM 780 CG2 THR A 188 17.918 -17.022 -12.689 1.00 0.00 C ATOM 0 H THR A 188 19.946 -16.914 -9.214 1.00 0.00 H new ATOM 0 HA THR A 188 18.233 -18.787 -10.691 1.00 0.00 H new ATOM 0 HB THR A 188 19.436 -16.091 -11.476 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.814 -15.171 -10.437 1.00 0.00 H new ATOM 0 HG21 THR A 188 17.582 -16.081 -13.125 1.00 0.00 H new ATOM 0 HG22 THR A 188 18.638 -17.495 -13.357 1.00 0.00 H new ATOM 0 HG23 THR A 188 17.063 -17.684 -12.550 1.00 0.00 H new ATOM 788 N MET A 189 21.234 -17.939 -11.838 1.00 0.00 N ATOM 789 CA MET A 189 22.308 -18.404 -12.705 1.00 0.00 C ATOM 790 C MET A 189 23.370 -19.162 -11.901 1.00 0.00 C ATOM 791 O MET A 189 23.206 -20.352 -11.640 1.00 0.00 O ATOM 792 CB MET A 189 22.910 -17.203 -13.449 1.00 0.00 C ATOM 793 CG MET A 189 21.896 -16.670 -14.469 1.00 0.00 C ATOM 794 SD MET A 189 22.599 -15.502 -15.662 1.00 0.00 S ATOM 795 CE MET A 189 22.405 -13.978 -14.711 1.00 0.00 C ATOM 0 H MET A 189 21.369 -16.997 -11.472 1.00 0.00 H new ATOM 0 HA MET A 189 21.907 -19.104 -13.438 1.00 0.00 H new ATOM 0 HB2 MET A 189 23.175 -16.419 -12.740 1.00 0.00 H new ATOM 0 HB3 MET A 189 23.829 -17.499 -13.955 1.00 0.00 H new ATOM 0 HG2 MET A 189 21.464 -17.511 -15.011 1.00 0.00 H new ATOM 0 HG3 MET A 189 21.081 -16.182 -13.935 1.00 0.00 H new ATOM 0 HE1 MET A 189 23.141 -13.246 -15.043 1.00 0.00 H new ATOM 0 HE2 MET A 189 21.402 -13.579 -14.863 1.00 0.00 H new ATOM 0 HE3 MET A 189 22.555 -14.188 -13.652 1.00 0.00 H new ATOM 805 N ARG A 190 24.463 -18.473 -11.524 1.00 0.00 N ATOM 806 CA ARG A 190 25.572 -19.066 -10.768 1.00 0.00 C ATOM 807 C ARG A 190 26.472 -19.897 -11.687 1.00 0.00 C ATOM 808 O ARG A 190 27.694 -19.826 -11.579 1.00 0.00 O ATOM 809 CB ARG A 190 25.048 -19.913 -9.600 1.00 0.00 C ATOM 810 CG ARG A 190 26.101 -19.942 -8.488 1.00 0.00 C ATOM 811 CD ARG A 190 25.567 -20.714 -7.280 1.00 0.00 C ATOM 812 NE ARG A 190 26.386 -20.447 -6.089 1.00 0.00 N ATOM 813 CZ ARG A 190 27.522 -21.107 -5.803 1.00 0.00 C ATOM 814 NH1 ARG A 190 28.007 -22.025 -6.651 1.00 0.00 N ATOM 815 NH2 ARG A 190 28.174 -20.842 -4.664 1.00 0.00 N ATOM 0 H ARG A 190 24.598 -17.485 -11.738 1.00 0.00 H new ATOM 0 HA ARG A 190 26.170 -18.255 -10.352 1.00 0.00 H new ATOM 0 HB2 ARG A 190 24.114 -19.496 -9.223 1.00 0.00 H new ATOM 0 HB3 ARG A 190 24.831 -20.926 -9.938 1.00 0.00 H new ATOM 0 HG2 ARG A 190 27.015 -20.410 -8.854 1.00 0.00 H new ATOM 0 HG3 ARG A 190 26.359 -18.925 -8.194 1.00 0.00 H new ATOM 0 HD2 ARG A 190 24.533 -20.428 -7.088 1.00 0.00 H new ATOM 0 HD3 ARG A 190 25.568 -21.782 -7.496 1.00 0.00 H new ATOM 0 HE ARG A 190 26.075 -19.721 -5.444 1.00 0.00 H new ATOM 0 HH11 ARG A 190 27.514 -22.227 -7.521 1.00 0.00 H new ATOM 0 HH12 ARG A 190 28.869 -22.521 -6.427 1.00 0.00 H new ATOM 0 HH21 ARG A 190 27.808 -20.142 -4.018 1.00 0.00 H new ATOM 0 HH22 ARG A 190 29.036 -21.340 -4.442 1.00 0.00 H new