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= -0.569 K(o=-0.55,f=-1.1) USER MOD Set 1.2: A 188 THR OG1 : rot 132:sc= 0.0139 USER MOD Set 2.1: A 177 THR OG1 : rot 137:sc= 1.01 USER MOD Set 2.2: A 179 ASN : amide:sc= 0.532 K(o=1.5,f=-3) USER MOD Set 3.1: A 159 HIS : no HD1:sc= -0.418 K(o=-0.25,f=-2.6) USER MOD Set 3.2: A 164 ASN : amide:sc= 0.17 X(o=-0.25,f=-0.59) USER MOD Set 4.1: A 156 TYR OH : rot 150:sc= 0.756 USER MOD Set 4.2: A 160 LYS NZ :NH3+ -178:sc= 0.859 (180deg=0) USER MOD Single : A 148 THR OG1 : rot -73:sc= 1.16 USER MOD Single : A 157 GLN : amide:sc= -1.13 X(o=-1.1,f=-1.6) USER MOD Single : A 171 LYS NZ :NH3+ -172:sc= 1.76 (180deg=1.08!) USER MOD Single : A 182 LYS NZ :NH3+ -150:sc= -0.092 (180deg=-1.6!) USER MOD Single : A 183 ASN : amide:sc= -0.266 K(o=-0.27,f=-1.7) USER MOD Single : A 186 ASN : amide:sc= 0.967 K(o=0.97,f=0) USER MOD Single : A 187 SER OG : rot 24:sc= 1.17 USER MOD Single : A 189 MET CE :methyl -170:sc= -1.25 (180deg=-1.85) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.348 -9.074 -12.631 1.00 0.00 N ATOM 89 CA TRP A 147 14.528 -9.117 -13.480 1.00 0.00 C ATOM 90 C TRP A 147 14.120 -9.475 -14.910 1.00 0.00 C ATOM 91 O TRP A 147 13.417 -10.462 -15.126 1.00 0.00 O ATOM 92 CB TRP A 147 15.513 -10.142 -12.913 1.00 0.00 C ATOM 93 CG TRP A 147 16.301 -9.654 -11.737 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.167 -10.065 -10.464 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.359 -8.654 -11.706 1.00 0.00 C ATOM 96 NE1 TRP A 147 17.058 -9.414 -9.641 1.00 0.00 N ATOM 97 CE2 TRP A 147 17.828 -8.522 -10.362 1.00 0.00 C ATOM 98 CE3 TRP A 147 17.974 -7.843 -12.678 1.00 0.00 C ATOM 99 CZ2 TRP A 147 18.852 -7.639 -10.011 1.00 0.00 C ATOM 100 CZ3 TRP A 147 19.005 -6.946 -12.330 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.445 -6.848 -11.002 1.00 0.00 C ATOM 0 HA TRP A 147 15.013 -8.141 -13.502 1.00 0.00 H new ATOM 0 HB2 TRP A 147 14.961 -11.035 -12.620 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.205 -10.438 -13.701 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.456 -10.807 -10.132 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.139 -9.569 -8.636 1.00 0.00 H new ATOM 0 HE3 TRP A 147 17.651 -7.909 -13.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.183 -7.567 -8.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.459 -6.330 -13.092 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.240 -6.164 -10.744 1.00 0.00 H new ATOM 112 N THR A 148 14.559 -8.663 -15.882 1.00 0.00 N ATOM 113 CA THR A 148 14.221 -8.868 -17.287 1.00 0.00 C ATOM 114 C THR A 148 15.332 -9.637 -18.007 1.00 0.00 C ATOM 115 O THR A 148 16.439 -9.786 -17.487 1.00 0.00 O ATOM 116 CB THR A 148 14.002 -7.505 -17.956 1.00 0.00 C ATOM 117 OG1 THR A 148 15.185 -6.738 -17.871 1.00 0.00 O ATOM 118 CG2 THR A 148 12.858 -6.760 -17.262 1.00 0.00 C ATOM 0 H THR A 148 15.154 -7.852 -15.712 1.00 0.00 H new ATOM 0 HA THR A 148 13.307 -9.459 -17.350 1.00 0.00 H new ATOM 0 HB THR A 148 13.745 -7.661 -19.004 1.00 0.00 H new ATOM 0 HG1 THR A 148 15.304 -6.421 -16.951 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.709 -5.793 -17.743 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.943 -7.348 -17.337 1.00 0.00 H new ATOM 0 HG23 THR A 148 13.107 -6.608 -16.212 1.00 0.00 H new ATOM 126 N GLU A 149 15.023 -10.119 -19.219 1.00 0.00 N ATOM 127 CA GLU A 149 15.973 -10.858 -20.037 1.00 0.00 C ATOM 128 C GLU A 149 17.158 -9.961 -20.400 1.00 0.00 C ATOM 129 O GLU A 149 18.291 -10.432 -20.498 1.00 0.00 O ATOM 130 CB GLU A 149 15.272 -11.357 -21.308 1.00 0.00 C ATOM 131 CG GLU A 149 14.018 -12.166 -20.943 1.00 0.00 C ATOM 132 CD GLU A 149 12.748 -11.347 -21.163 1.00 0.00 C ATOM 133 OE1 GLU A 149 12.607 -10.315 -20.469 1.00 0.00 O ATOM 134 OE2 GLU A 149 11.943 -11.768 -22.021 1.00 0.00 O ATOM 0 H GLU A 149 14.107 -10.004 -19.652 1.00 0.00 H new ATOM 0 HA GLU A 149 16.346 -11.715 -19.476 1.00 0.00 H new ATOM 0 HB2 GLU A 149 14.996 -10.510 -21.936 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.956 -11.976 -21.889 1.00 0.00 H new ATOM 0 HG2 GLU A 149 13.978 -13.072 -21.547 1.00 0.00 H new ATOM 0 HG3 GLU A 149 14.075 -12.480 -19.901 1.00 0.00 H new ATOM 141 N GLU A 150 16.895 -8.663 -20.600 1.00 0.00 N ATOM 142 CA GLU A 150 17.937 -7.709 -20.936 1.00 0.00 C ATOM 143 C GLU A 150 18.945 -7.634 -19.792 1.00 0.00 C ATOM 144 O GLU A 150 20.152 -7.700 -20.021 1.00 0.00 O ATOM 145 CB GLU A 150 17.303 -6.340 -21.204 1.00 0.00 C ATOM 146 CG GLU A 150 18.363 -5.372 -21.741 1.00 0.00 C ATOM 147 CD GLU A 150 17.736 -4.037 -22.121 1.00 0.00 C ATOM 148 OE1 GLU A 150 16.942 -4.039 -23.087 1.00 0.00 O ATOM 149 OE2 GLU A 150 18.060 -3.041 -21.439 1.00 0.00 O ATOM 0 H GLU A 150 15.962 -8.257 -20.532 1.00 0.00 H new ATOM 0 HA GLU A 150 18.463 -8.028 -21.836 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.491 -6.440 -21.924 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.868 -5.945 -20.286 1.00 0.00 H new ATOM 0 HG2 GLU A 150 19.134 -5.215 -20.986 1.00 0.00 H new ATOM 0 HG3 GLU A 150 18.853 -5.809 -22.611 1.00 0.00 H new ATOM 156 N GLU A 151 18.447 -7.504 -18.557 1.00 0.00 N ATOM 157 CA GLU A 151 19.305 -7.429 -17.387 1.00 0.00 C ATOM 158 C GLU A 151 20.167 -8.688 -17.290 1.00 0.00 C ATOM 159 O GLU A 151 21.338 -8.600 -16.938 1.00 0.00 O ATOM 160 CB GLU A 151 18.454 -7.250 -16.134 1.00 0.00 C ATOM 161 CG GLU A 151 17.878 -5.830 -16.100 1.00 0.00 C ATOM 162 CD GLU A 151 16.830 -5.695 -15.005 1.00 0.00 C ATOM 163 OE1 GLU A 151 15.712 -6.207 -15.226 1.00 0.00 O ATOM 164 OE2 GLU A 151 17.164 -5.085 -13.965 1.00 0.00 O ATOM 0 H GLU A 151 17.450 -7.449 -18.350 1.00 0.00 H new ATOM 0 HA GLU A 151 19.969 -6.569 -17.477 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.646 -7.981 -16.124 1.00 0.00 H new ATOM 0 HB3 GLU A 151 19.057 -7.430 -15.244 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.680 -5.112 -15.931 1.00 0.00 H new ATOM 0 HG3 GLU A 151 17.433 -5.590 -17.066 1.00 0.00 H new ATOM 171 N ASP A 152 19.594 -9.859 -17.613 1.00 0.00 N ATOM 172 CA ASP A 152 20.347 -11.113 -17.608 1.00 0.00 C ATOM 173 C ASP A 152 21.637 -10.938 -18.415 1.00 0.00 C ATOM 174 O ASP A 152 22.715 -11.317 -17.961 1.00 0.00 O ATOM 175 CB ASP A 152 19.484 -12.243 -18.204 1.00 0.00 C ATOM 176 CG ASP A 152 19.290 -13.388 -17.214 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.668 -13.134 -16.163 1.00 0.00 O ATOM 178 OD2 ASP A 152 19.768 -14.505 -17.532 1.00 0.00 O ATOM 0 H ASP A 152 18.614 -9.958 -17.879 1.00 0.00 H new ATOM 0 HA ASP A 152 20.607 -11.380 -16.583 1.00 0.00 H new ATOM 0 HB2 ASP A 152 18.512 -11.844 -18.494 1.00 0.00 H new ATOM 0 HB3 ASP A 152 19.956 -12.622 -19.110 1.00 0.00 H new ATOM 183 N ARG A 153 21.517 -10.356 -19.616 1.00 0.00 N ATOM 184 CA ARG A 153 22.660 -10.138 -20.492 1.00 0.00 C ATOM 185 C ARG A 153 23.627 -9.127 -19.869 1.00 0.00 C ATOM 186 O ARG A 153 24.840 -9.317 -19.932 1.00 0.00 O ATOM 187 CB ARG A 153 22.175 -9.636 -21.860 1.00 0.00 C ATOM 188 CG ARG A 153 21.269 -10.679 -22.532 1.00 0.00 C ATOM 189 CD ARG A 153 22.115 -11.810 -23.124 1.00 0.00 C ATOM 190 NE ARG A 153 21.272 -12.752 -23.870 1.00 0.00 N ATOM 191 CZ ARG A 153 21.771 -13.756 -24.614 1.00 0.00 C ATOM 192 NH1 ARG A 153 23.095 -13.959 -24.671 1.00 0.00 N ATOM 193 NH2 ARG A 153 20.942 -14.554 -25.299 1.00 0.00 N ATOM 0 H ARG A 153 20.630 -10.028 -19.999 1.00 0.00 H new ATOM 0 HA ARG A 153 23.189 -11.082 -20.624 1.00 0.00 H new ATOM 0 HB2 ARG A 153 21.631 -8.700 -21.737 1.00 0.00 H new ATOM 0 HB3 ARG A 153 23.032 -9.425 -22.500 1.00 0.00 H new ATOM 0 HG2 ARG A 153 20.566 -11.084 -21.804 1.00 0.00 H new ATOM 0 HG3 ARG A 153 20.679 -10.207 -23.317 1.00 0.00 H new ATOM 0 HD2 ARG A 153 22.876 -11.394 -23.784 1.00 0.00 H new ATOM 0 HD3 ARG A 153 22.638 -12.336 -22.325 1.00 0.00 H new ATOM 0 HE ARG A 153 20.259 -12.640 -23.822 1.00 0.00 H new ATOM 0 HH11 ARG A 153 23.727 -13.352 -24.149 1.00 0.00 H new ATOM 0 HH12 ARG A 153 23.470 -14.721 -25.236 1.00 0.00 H new ATOM 0 HH21 ARG A 153 19.935 -14.400 -25.256 1.00 0.00 H new ATOM 0 HH22 ARG A 153 21.318 -15.316 -25.864 1.00 0.00 H new ATOM 207 N ILE A 154 23.094 -8.050 -19.274 1.00 0.00 N ATOM 208 CA ILE A 154 23.923 -7.010 -18.670 1.00 0.00 C ATOM 209 C ILE A 154 24.783 -7.599 -17.549 1.00 0.00 C ATOM 210 O ILE A 154 26.004 -7.435 -17.554 1.00 0.00 O ATOM 211 CB ILE A 154 23.026 -5.877 -18.129 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.286 -5.176 -19.289 1.00 0.00 C ATOM 213 CG2 ILE A 154 23.879 -4.859 -17.360 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.222 -4.232 -20.056 1.00 0.00 C ATOM 0 H ILE A 154 22.091 -7.881 -19.201 1.00 0.00 H new ATOM 0 HA ILE A 154 24.589 -6.599 -19.429 1.00 0.00 H new ATOM 0 HB ILE A 154 22.286 -6.308 -17.454 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.882 -5.924 -19.971 1.00 0.00 H new ATOM 0 HG13 ILE A 154 21.440 -4.613 -18.896 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.240 -4.062 -16.981 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.374 -5.356 -16.525 1.00 0.00 H new ATOM 0 HG23 ILE A 154 24.630 -4.436 -18.027 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.672 -3.753 -20.866 1.00 0.00 H new ATOM 0 HD12 ILE A 154 23.605 -3.470 -19.378 1.00 0.00 H new ATOM 0 HD13 ILE A 154 24.054 -4.802 -20.469 1.00 0.00 H new ATOM 226 N ILE A 155 24.148 -8.280 -16.585 1.00 0.00 N ATOM 227 CA ILE A 155 24.862 -8.857 -15.453 1.00 0.00 C ATOM 228 C ILE A 155 25.861 -9.900 -15.956 1.00 0.00 C ATOM 229 O ILE A 155 26.970 -9.977 -15.445 1.00 0.00 O ATOM 230 CB ILE A 155 23.874 -9.484 -14.449 1.00 0.00 C ATOM 231 CG1 ILE A 155 22.804 -8.461 -14.032 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.639 -9.935 -13.193 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.598 -9.196 -13.446 1.00 0.00 C ATOM 0 H ILE A 155 23.141 -8.441 -16.573 1.00 0.00 H new ATOM 0 HA ILE A 155 25.406 -8.067 -14.935 1.00 0.00 H new ATOM 0 HB ILE A 155 23.390 -10.336 -14.927 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.214 -7.769 -13.297 1.00 0.00 H new ATOM 0 HG13 ILE A 155 22.498 -7.867 -14.893 1.00 0.00 H new ATOM 0 HG21 ILE A 155 23.942 -10.379 -12.482 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.392 -10.672 -13.471 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.126 -9.074 -12.735 1.00 0.00 H new ATOM 0 HD11 ILE A 155 20.839 -8.472 -13.150 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.184 -9.870 -14.195 1.00 0.00 H new ATOM 0 HD13 ILE A 155 21.911 -9.771 -12.574 1.00 0.00 H new ATOM 245 N TYR A 156 25.471 -10.700 -16.961 1.00 0.00 N ATOM 246 CA TYR A 156 26.355 -11.716 -17.523 1.00 0.00 C ATOM 247 C TYR A 156 27.619 -11.057 -18.073 1.00 0.00 C ATOM 248 O TYR A 156 28.725 -11.414 -17.678 1.00 0.00 O ATOM 249 CB TYR A 156 25.621 -12.489 -18.623 1.00 0.00 C ATOM 250 CG TYR A 156 26.442 -13.618 -19.210 1.00 0.00 C ATOM 251 CD1 TYR A 156 26.600 -14.818 -18.493 1.00 0.00 C ATOM 252 CD2 TYR A 156 27.047 -13.470 -20.472 1.00 0.00 C ATOM 253 CE1 TYR A 156 27.363 -15.867 -19.036 1.00 0.00 C ATOM 254 CE2 TYR A 156 27.809 -14.520 -21.014 1.00 0.00 C ATOM 255 CZ TYR A 156 27.967 -15.718 -20.296 1.00 0.00 C ATOM 256 OH TYR A 156 28.713 -16.734 -20.821 1.00 0.00 O ATOM 0 H TYR A 156 24.549 -10.658 -17.396 1.00 0.00 H new ATOM 0 HA TYR A 156 26.646 -12.418 -16.742 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.695 -12.896 -18.216 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.343 -11.799 -19.419 1.00 0.00 H new ATOM 0 HD1 TYR A 156 26.135 -14.934 -17.525 1.00 0.00 H new ATOM 0 HD2 TYR A 156 26.926 -12.550 -21.024 1.00 0.00 H new ATOM 0 HE1 TYR A 156 27.485 -16.788 -18.484 1.00 0.00 H new ATOM 0 HE2 TYR A 156 28.273 -14.406 -21.982 1.00 0.00 H new ATOM 0 HH TYR A 156 28.662 -16.706 -21.799 1.00 0.00 H new ATOM 266 N GLN A 157 27.447 -10.095 -18.985 1.00 0.00 N ATOM 267 CA GLN A 157 28.562 -9.391 -19.602 1.00 0.00 C ATOM 268 C GLN A 157 29.474 -8.792 -18.529 1.00 0.00 C ATOM 269 O GLN A 157 30.692 -8.935 -18.603 1.00 0.00 O ATOM 270 CB GLN A 157 27.999 -8.302 -20.527 1.00 0.00 C ATOM 271 CG GLN A 157 29.138 -7.531 -21.214 1.00 0.00 C ATOM 272 CD GLN A 157 29.589 -6.327 -20.386 1.00 0.00 C ATOM 273 OE1 GLN A 157 30.767 -6.198 -20.064 1.00 0.00 O ATOM 274 NE2 GLN A 157 28.651 -5.442 -20.044 1.00 0.00 N ATOM 0 H GLN A 157 26.531 -9.787 -19.312 1.00 0.00 H new ATOM 0 HA GLN A 157 29.165 -10.084 -20.189 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.354 -8.755 -21.280 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.382 -7.612 -19.951 1.00 0.00 H new ATOM 0 HG2 GLN A 157 29.984 -8.199 -21.375 1.00 0.00 H new ATOM 0 HG3 GLN A 157 28.808 -7.193 -22.196 1.00 0.00 H new ATOM 0 HE21 GLN A 157 27.683 -5.587 -20.332 1.00 0.00 H new ATOM 0 HE22 GLN A 157 28.901 -4.620 -19.494 1.00 0.00 H new ATOM 283 N ALA A 158 28.883 -8.119 -17.537 1.00 0.00 N ATOM 284 CA ALA A 158 29.644 -7.486 -16.471 1.00 0.00 C ATOM 285 C ALA A 158 30.408 -8.532 -15.651 1.00 0.00 C ATOM 286 O ALA A 158 31.602 -8.386 -15.426 1.00 0.00 O ATOM 287 CB ALA A 158 28.686 -6.694 -15.580 1.00 0.00 C ATOM 0 H ALA A 158 27.873 -8.002 -17.456 1.00 0.00 H new ATOM 0 HA ALA A 158 30.379 -6.809 -16.905 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.247 -6.216 -14.777 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.182 -5.932 -16.175 1.00 0.00 H new ATOM 0 HB3 ALA A 158 27.945 -7.369 -15.152 1.00 0.00 H new ATOM 293 N HIS A 159 29.713 -9.580 -15.203 1.00 0.00 N ATOM 294 CA HIS A 159 30.309 -10.627 -14.379 1.00 0.00 C ATOM 295 C HIS A 159 31.426 -11.357 -15.132 1.00 0.00 C ATOM 296 O HIS A 159 32.402 -11.781 -14.524 1.00 0.00 O ATOM 297 CB HIS A 159 29.210 -11.611 -13.958 1.00 0.00 C ATOM 298 CG HIS A 159 29.730 -12.756 -13.128 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.376 -13.855 -13.685 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.709 -13.007 -11.781 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.696 -14.675 -12.667 1.00 0.00 C ATOM 302 NE2 HIS A 159 30.315 -14.217 -11.474 1.00 0.00 N ATOM 0 H HIS A 159 28.723 -9.724 -15.402 1.00 0.00 H new ATOM 0 HA HIS A 159 30.757 -10.174 -13.495 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.448 -11.075 -13.391 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.724 -12.007 -14.850 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.274 -12.344 -11.048 1.00 0.00 H new ATOM 0 HE1 HIS A 159 31.212 -15.614 -12.803 1.00 0.00 H new ATOM 0 HE2 HIS A 159 30.439 -14.650 -10.559 1.00 0.00 H new ATOM 310 N LYS A 160 31.281 -11.514 -16.449 1.00 0.00 N ATOM 311 CA LYS A 160 32.264 -12.230 -17.255 1.00 0.00 C ATOM 312 C LYS A 160 33.639 -11.550 -17.202 1.00 0.00 C ATOM 313 O LYS A 160 34.654 -12.224 -17.375 1.00 0.00 O ATOM 314 CB LYS A 160 31.765 -12.314 -18.701 1.00 0.00 C ATOM 315 CG LYS A 160 30.625 -13.338 -18.800 1.00 0.00 C ATOM 316 CD LYS A 160 31.169 -14.694 -19.264 1.00 0.00 C ATOM 317 CE LYS A 160 31.461 -14.654 -20.770 1.00 0.00 C ATOM 318 NZ LYS A 160 31.473 -16.012 -21.341 1.00 0.00 N ATOM 0 H LYS A 160 30.488 -11.152 -16.979 1.00 0.00 H new ATOM 0 HA LYS A 160 32.382 -13.234 -16.847 1.00 0.00 H new ATOM 0 HB2 LYS A 160 31.417 -11.336 -19.033 1.00 0.00 H new ATOM 0 HB3 LYS A 160 32.583 -12.602 -19.361 1.00 0.00 H new ATOM 0 HG2 LYS A 160 30.138 -13.446 -17.831 1.00 0.00 H new ATOM 0 HG3 LYS A 160 29.868 -12.983 -19.499 1.00 0.00 H new ATOM 0 HD2 LYS A 160 32.079 -14.937 -18.715 1.00 0.00 H new ATOM 0 HD3 LYS A 160 30.445 -15.479 -19.046 1.00 0.00 H new ATOM 0 HE2 LYS A 160 30.707 -14.050 -21.274 1.00 0.00 H new ATOM 0 HE3 LYS A 160 32.424 -14.173 -20.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 31.706 -15.961 -22.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 32.186 -16.589 -20.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 30.535 -16.446 -21.223 1.00 0.00 H new ATOM 332 N ARG A 161 33.678 -10.225 -16.977 1.00 0.00 N ATOM 333 CA ARG A 161 34.942 -9.480 -16.954 1.00 0.00 C ATOM 334 C ARG A 161 35.303 -9.024 -15.531 1.00 0.00 C ATOM 335 O ARG A 161 36.480 -9.008 -15.177 1.00 0.00 O ATOM 336 CB ARG A 161 34.856 -8.283 -17.919 1.00 0.00 C ATOM 337 CG ARG A 161 33.672 -7.374 -17.563 1.00 0.00 C ATOM 338 CD ARG A 161 33.539 -6.259 -18.601 1.00 0.00 C ATOM 339 NE ARG A 161 34.703 -5.367 -18.579 1.00 0.00 N ATOM 340 CZ ARG A 161 34.812 -4.289 -19.375 1.00 0.00 C ATOM 341 NH1 ARG A 161 33.827 -3.987 -20.234 1.00 0.00 N ATOM 342 NH2 ARG A 161 35.904 -3.517 -19.311 1.00 0.00 N ATOM 0 H ARG A 161 32.850 -9.653 -16.809 1.00 0.00 H new ATOM 0 HA ARG A 161 35.741 -10.143 -17.286 1.00 0.00 H new ATOM 0 HB2 ARG A 161 35.783 -7.711 -17.879 1.00 0.00 H new ATOM 0 HB3 ARG A 161 34.748 -8.643 -18.942 1.00 0.00 H new ATOM 0 HG2 ARG A 161 32.753 -7.958 -17.525 1.00 0.00 H new ATOM 0 HG3 ARG A 161 33.818 -6.944 -16.572 1.00 0.00 H new ATOM 0 HD2 ARG A 161 33.431 -6.695 -19.594 1.00 0.00 H new ATOM 0 HD3 ARG A 161 32.634 -5.684 -18.406 1.00 0.00 H new ATOM 0 HE ARG A 161 35.463 -5.574 -17.931 1.00 0.00 H new ATOM 0 HH11 ARG A 161 32.995 -4.575 -20.283 1.00 0.00 H new ATOM 0 HH12 ARG A 161 33.910 -3.169 -20.838 1.00 0.00 H new ATOM 0 HH21 ARG A 161 36.653 -3.747 -18.658 1.00 0.00 H new ATOM 0 HH22 ARG A 161 35.987 -2.699 -19.915 1.00 0.00 H new ATOM 356 N LEU A 162 34.304 -8.650 -14.721 1.00 0.00 N ATOM 357 CA LEU A 162 34.545 -8.173 -13.359 1.00 0.00 C ATOM 358 C LEU A 162 34.606 -9.344 -12.378 1.00 0.00 C ATOM 359 O LEU A 162 35.328 -9.278 -11.385 1.00 0.00 O ATOM 360 CB LEU A 162 33.427 -7.204 -12.949 1.00 0.00 C ATOM 361 CG LEU A 162 33.628 -5.842 -13.628 1.00 0.00 C ATOM 362 CD1 LEU A 162 32.282 -5.121 -13.734 1.00 0.00 C ATOM 363 CD2 LEU A 162 34.598 -4.989 -12.805 1.00 0.00 C ATOM 0 H LEU A 162 33.320 -8.670 -14.989 1.00 0.00 H new ATOM 0 HA LEU A 162 35.504 -7.655 -13.334 1.00 0.00 H new ATOM 0 HB2 LEU A 162 32.458 -7.617 -13.227 1.00 0.00 H new ATOM 0 HB3 LEU A 162 33.422 -7.081 -11.866 1.00 0.00 H new ATOM 0 HG LEU A 162 34.041 -5.996 -14.625 1.00 0.00 H new ATOM 0 HD11 LEU A 162 32.424 -4.154 -14.216 1.00 0.00 H new ATOM 0 HD12 LEU A 162 31.592 -5.723 -14.325 1.00 0.00 H new ATOM 0 HD13 LEU A 162 31.870 -4.972 -12.736 1.00 0.00 H new ATOM 0 HD21 LEU A 162 34.737 -4.024 -13.292 1.00 0.00 H new ATOM 0 HD22 LEU A 162 34.190 -4.836 -11.806 1.00 0.00 H new ATOM 0 HD23 LEU A 162 35.558 -5.499 -12.731 1.00 0.00 H new ATOM 375 N GLY A 163 33.842 -10.406 -12.647 1.00 0.00 N ATOM 376 CA GLY A 163 33.781 -11.562 -11.766 1.00 0.00 C ATOM 377 C GLY A 163 32.667 -11.359 -10.745 1.00 0.00 C ATOM 378 O GLY A 163 31.639 -10.763 -11.061 1.00 0.00 O ATOM 0 H GLY A 163 33.254 -10.483 -13.477 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.598 -12.466 -12.346 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.736 -11.697 -11.258 1.00 0.00 H new ATOM 382 N ASN A 164 32.871 -11.846 -9.515 1.00 0.00 N ATOM 383 CA ASN A 164 31.877 -11.705 -8.454 1.00 0.00 C ATOM 384 C ASN A 164 32.036 -10.349 -7.756 1.00 0.00 C ATOM 385 O ASN A 164 31.681 -10.209 -6.587 1.00 0.00 O ATOM 386 CB ASN A 164 32.035 -12.846 -7.440 1.00 0.00 C ATOM 387 CG ASN A 164 32.111 -14.202 -8.137 1.00 0.00 C ATOM 388 OD1 ASN A 164 31.086 -14.781 -8.489 1.00 0.00 O ATOM 389 ND2 ASN A 164 33.329 -14.711 -8.333 1.00 0.00 N ATOM 0 H ASN A 164 33.717 -12.341 -9.234 1.00 0.00 H new ATOM 0 HA ASN A 164 30.880 -11.755 -8.892 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.937 -12.688 -6.849 1.00 0.00 H new ATOM 0 HB3 ASN A 164 31.194 -12.838 -6.747 1.00 0.00 H new ATOM 0 HD21 ASN A 164 33.436 -15.616 -8.792 1.00 0.00 H new ATOM 0 HD22 ASN A 164 34.153 -14.195 -8.024 1.00 0.00 H new ATOM 396 N ARG A 165 32.570 -9.349 -8.470 1.00 0.00 N ATOM 397 CA ARG A 165 32.769 -8.021 -7.913 1.00 0.00 C ATOM 398 C ARG A 165 31.482 -7.217 -8.084 1.00 0.00 C ATOM 399 O ARG A 165 31.440 -6.247 -8.843 1.00 0.00 O ATOM 400 CB ARG A 165 33.954 -7.338 -8.617 1.00 0.00 C ATOM 401 CG ARG A 165 35.275 -7.709 -7.925 1.00 0.00 C ATOM 402 CD ARG A 165 35.488 -9.227 -7.947 1.00 0.00 C ATOM 403 NE ARG A 165 36.885 -9.568 -7.642 1.00 0.00 N ATOM 404 CZ ARG A 165 37.398 -9.550 -6.398 1.00 0.00 C ATOM 405 NH1 ARG A 165 36.633 -9.197 -5.355 1.00 0.00 N ATOM 406 NH2 ARG A 165 38.679 -9.886 -6.202 1.00 0.00 N ATOM 0 H ARG A 165 32.871 -9.444 -9.440 1.00 0.00 H new ATOM 0 HA ARG A 165 33.002 -8.085 -6.850 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.987 -7.641 -9.664 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.820 -6.256 -8.602 1.00 0.00 H new ATOM 0 HG2 ARG A 165 36.106 -7.212 -8.426 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.265 -7.353 -6.895 1.00 0.00 H new ATOM 0 HD2 ARG A 165 34.828 -9.701 -7.221 1.00 0.00 H new ATOM 0 HD3 ARG A 165 35.219 -9.621 -8.927 1.00 0.00 H new ATOM 0 HE ARG A 165 37.498 -9.832 -8.414 1.00 0.00 H new ATOM 0 HH11 ARG A 165 35.657 -8.940 -5.502 1.00 0.00 H new ATOM 0 HH12 ARG A 165 37.027 -9.185 -4.414 1.00 0.00 H new ATOM 0 HH21 ARG A 165 39.263 -10.154 -6.994 1.00 0.00 H new ATOM 0 HH22 ARG A 165 39.071 -9.873 -5.261 1.00 0.00 H new ATOM 420 N TRP A 166 30.426 -7.625 -7.367 1.00 0.00 N ATOM 421 CA TRP A 166 29.137 -6.946 -7.434 1.00 0.00 C ATOM 422 C TRP A 166 29.283 -5.502 -6.968 1.00 0.00 C ATOM 423 O TRP A 166 28.424 -4.689 -7.241 1.00 0.00 O ATOM 424 CB TRP A 166 28.100 -7.675 -6.577 1.00 0.00 C ATOM 425 CG TRP A 166 28.282 -9.151 -6.497 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.848 -9.790 -5.474 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.930 -10.188 -7.460 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.892 -11.144 -5.698 1.00 0.00 N ATOM 429 CE2 TRP A 166 28.334 -11.453 -6.924 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.314 -10.201 -8.733 1.00 0.00 C ATOM 431 CZ2 TRP A 166 28.144 -12.654 -7.610 1.00 0.00 C ATOM 432 CZ3 TRP A 166 27.119 -11.414 -9.430 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.537 -12.635 -8.869 1.00 0.00 C ATOM 0 H TRP A 166 30.446 -8.425 -6.734 1.00 0.00 H new ATOM 0 HA TRP A 166 28.794 -6.952 -8.469 1.00 0.00 H new ATOM 0 HB2 TRP A 166 28.130 -7.264 -5.568 1.00 0.00 H new ATOM 0 HB3 TRP A 166 27.108 -7.467 -6.977 1.00 0.00 H new ATOM 0 HD1 TRP A 166 29.223 -9.306 -4.584 1.00 0.00 H new ATOM 0 HE1 TRP A 166 29.283 -11.827 -5.049 1.00 0.00 H new ATOM 0 HE3 TRP A 166 26.989 -9.272 -9.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 28.463 -13.588 -7.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.646 -11.404 -10.401 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.389 -13.557 -9.411 1.00 0.00 H new ATOM 444 N ALA A 167 30.377 -5.184 -6.266 1.00 0.00 N ATOM 445 CA ALA A 167 30.625 -3.829 -5.809 1.00 0.00 C ATOM 446 C ALA A 167 30.598 -2.869 -7.001 1.00 0.00 C ATOM 447 O ALA A 167 30.151 -1.732 -6.868 1.00 0.00 O ATOM 448 CB ALA A 167 31.980 -3.774 -5.103 1.00 0.00 C ATOM 0 H ALA A 167 31.101 -5.854 -6.006 1.00 0.00 H new ATOM 0 HA ALA A 167 29.848 -3.528 -5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 167 32.170 -2.757 -4.758 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.973 -4.451 -4.249 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.765 -4.074 -5.798 1.00 0.00 H new ATOM 454 N GLU A 168 31.079 -3.332 -8.165 1.00 0.00 N ATOM 455 CA GLU A 168 31.124 -2.516 -9.370 1.00 0.00 C ATOM 456 C GLU A 168 29.835 -2.680 -10.175 1.00 0.00 C ATOM 457 O GLU A 168 29.270 -1.695 -10.642 1.00 0.00 O ATOM 458 CB GLU A 168 32.345 -2.916 -10.208 1.00 0.00 C ATOM 459 CG GLU A 168 33.621 -2.827 -9.359 1.00 0.00 C ATOM 460 CD GLU A 168 33.707 -1.490 -8.632 1.00 0.00 C ATOM 461 OE1 GLU A 168 33.794 -0.463 -9.335 1.00 0.00 O ATOM 462 OE2 GLU A 168 33.673 -1.516 -7.381 1.00 0.00 O ATOM 0 H GLU A 168 31.443 -4.277 -8.289 1.00 0.00 H new ATOM 0 HA GLU A 168 31.212 -1.466 -9.092 1.00 0.00 H new ATOM 0 HB2 GLU A 168 32.220 -3.931 -10.585 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.430 -2.262 -11.076 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.636 -3.640 -8.633 1.00 0.00 H new ATOM 0 HG3 GLU A 168 34.495 -2.954 -9.997 1.00 0.00 H new ATOM 469 N ILE A 169 29.366 -3.922 -10.338 1.00 0.00 N ATOM 470 CA ILE A 169 28.141 -4.190 -11.092 1.00 0.00 C ATOM 471 C ILE A 169 26.975 -3.423 -10.454 1.00 0.00 C ATOM 472 O ILE A 169 26.115 -2.886 -11.153 1.00 0.00 O ATOM 473 CB ILE A 169 27.857 -5.705 -11.111 1.00 0.00 C ATOM 474 CG1 ILE A 169 29.115 -6.475 -11.559 1.00 0.00 C ATOM 475 CG2 ILE A 169 26.706 -5.995 -12.083 1.00 0.00 C ATOM 476 CD1 ILE A 169 28.828 -7.977 -11.601 1.00 0.00 C ATOM 0 H ILE A 169 29.817 -4.754 -9.958 1.00 0.00 H new ATOM 0 HA ILE A 169 28.261 -3.854 -12.122 1.00 0.00 H new ATOM 0 HB ILE A 169 27.582 -6.029 -10.107 1.00 0.00 H new ATOM 0 HG12 ILE A 169 29.430 -6.130 -12.544 1.00 0.00 H new ATOM 0 HG13 ILE A 169 29.937 -6.274 -10.872 1.00 0.00 H new ATOM 0 HG21 ILE A 169 26.504 -7.066 -12.098 1.00 0.00 H new ATOM 0 HG22 ILE A 169 25.813 -5.461 -11.759 1.00 0.00 H new ATOM 0 HG23 ILE A 169 26.983 -5.664 -13.084 1.00 0.00 H new ATOM 0 HD11 ILE A 169 29.724 -8.510 -11.919 1.00 0.00 H new ATOM 0 HD12 ILE A 169 28.535 -8.319 -10.608 1.00 0.00 H new ATOM 0 HD13 ILE A 169 28.020 -8.173 -12.306 1.00 0.00 H new ATOM 488 N ALA A 170 26.967 -3.376 -9.120 1.00 0.00 N ATOM 489 CA ALA A 170 25.943 -2.686 -8.355 1.00 0.00 C ATOM 490 C ALA A 170 25.974 -1.182 -8.644 1.00 0.00 C ATOM 491 O ALA A 170 24.948 -0.520 -8.535 1.00 0.00 O ATOM 492 CB ALA A 170 26.165 -2.965 -6.863 1.00 0.00 C ATOM 0 H ALA A 170 27.680 -3.821 -8.542 1.00 0.00 H new ATOM 0 HA ALA A 170 24.959 -3.054 -8.646 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.401 -2.451 -6.279 1.00 0.00 H new ATOM 0 HB2 ALA A 170 26.101 -4.038 -6.680 1.00 0.00 H new ATOM 0 HB3 ALA A 170 27.151 -2.605 -6.568 1.00 0.00 H new ATOM 498 N LYS A 171 27.147 -0.643 -9.018 1.00 0.00 N ATOM 499 CA LYS A 171 27.272 0.772 -9.348 1.00 0.00 C ATOM 500 C LYS A 171 26.820 1.003 -10.791 1.00 0.00 C ATOM 501 O LYS A 171 26.172 2.006 -11.080 1.00 0.00 O ATOM 502 CB LYS A 171 28.722 1.237 -9.156 1.00 0.00 C ATOM 503 CG LYS A 171 29.016 1.436 -7.663 1.00 0.00 C ATOM 504 CD LYS A 171 30.288 2.282 -7.481 1.00 0.00 C ATOM 505 CE LYS A 171 31.538 1.483 -7.878 1.00 0.00 C ATOM 506 NZ LYS A 171 31.840 0.432 -6.890 1.00 0.00 N ATOM 0 H LYS A 171 28.016 -1.171 -9.097 1.00 0.00 H new ATOM 0 HA LYS A 171 26.637 1.354 -8.681 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.407 0.500 -9.575 1.00 0.00 H new ATOM 0 HB3 LYS A 171 28.888 2.170 -9.695 1.00 0.00 H new ATOM 0 HG2 LYS A 171 28.171 1.928 -7.181 1.00 0.00 H new ATOM 0 HG3 LYS A 171 29.141 0.468 -7.177 1.00 0.00 H new ATOM 0 HD2 LYS A 171 30.220 3.184 -8.089 1.00 0.00 H new ATOM 0 HD3 LYS A 171 30.371 2.603 -6.443 1.00 0.00 H new ATOM 0 HE2 LYS A 171 31.387 1.031 -8.858 1.00 0.00 H new ATOM 0 HE3 LYS A 171 32.390 2.157 -7.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 32.760 0.001 -7.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 31.874 0.850 -5.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 31.099 -0.297 -6.922 1.00 0.00 H new ATOM 520 N LEU A 172 27.161 0.071 -11.696 1.00 0.00 N ATOM 521 CA LEU A 172 26.771 0.181 -13.098 1.00 0.00 C ATOM 522 C LEU A 172 25.247 0.238 -13.201 1.00 0.00 C ATOM 523 O LEU A 172 24.706 1.085 -13.911 1.00 0.00 O ATOM 524 CB LEU A 172 27.323 -1.012 -13.895 1.00 0.00 C ATOM 525 CG LEU A 172 28.857 -0.934 -14.001 1.00 0.00 C ATOM 526 CD1 LEU A 172 29.383 -2.211 -14.661 1.00 0.00 C ATOM 527 CD2 LEU A 172 29.271 0.276 -14.848 1.00 0.00 C ATOM 0 H LEU A 172 27.705 -0.763 -11.475 1.00 0.00 H new ATOM 0 HA LEU A 172 27.188 1.096 -13.519 1.00 0.00 H new ATOM 0 HB2 LEU A 172 27.034 -1.944 -13.410 1.00 0.00 H new ATOM 0 HB3 LEU A 172 26.885 -1.023 -14.893 1.00 0.00 H new ATOM 0 HG LEU A 172 29.276 -0.829 -13.000 1.00 0.00 H new ATOM 0 HD11 LEU A 172 30.469 -2.160 -14.738 1.00 0.00 H new ATOM 0 HD12 LEU A 172 29.102 -3.074 -14.058 1.00 0.00 H new ATOM 0 HD13 LEU A 172 28.953 -2.309 -15.658 1.00 0.00 H new ATOM 0 HD21 LEU A 172 30.358 0.319 -14.914 1.00 0.00 H new ATOM 0 HD22 LEU A 172 28.850 0.181 -15.849 1.00 0.00 H new ATOM 0 HD23 LEU A 172 28.900 1.189 -14.383 1.00 0.00 H new ATOM 539 N LEU A 173 24.554 -0.658 -12.487 1.00 0.00 N ATOM 540 CA LEU A 173 23.099 -0.676 -12.483 1.00 0.00 C ATOM 541 C LEU A 173 22.598 0.419 -11.527 1.00 0.00 C ATOM 542 O LEU A 173 23.040 0.473 -10.384 1.00 0.00 O ATOM 543 CB LEU A 173 22.605 -2.056 -12.043 1.00 0.00 C ATOM 544 CG LEU A 173 22.867 -3.093 -13.148 1.00 0.00 C ATOM 545 CD1 LEU A 173 22.835 -4.498 -12.545 1.00 0.00 C ATOM 546 CD2 LEU A 173 21.790 -2.986 -14.234 1.00 0.00 C ATOM 0 H LEU A 173 24.985 -1.378 -11.906 1.00 0.00 H new ATOM 0 HA LEU A 173 22.712 -0.481 -13.483 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.112 -2.356 -11.126 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.539 -2.014 -11.819 1.00 0.00 H new ATOM 0 HG LEU A 173 23.845 -2.902 -13.591 1.00 0.00 H new ATOM 0 HD11 LEU A 173 23.021 -5.234 -13.327 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.605 -4.582 -11.778 1.00 0.00 H new ATOM 0 HD13 LEU A 173 21.857 -4.681 -12.100 1.00 0.00 H new ATOM 0 HD21 LEU A 173 21.984 -3.724 -15.012 1.00 0.00 H new ATOM 0 HD22 LEU A 173 20.810 -3.171 -13.794 1.00 0.00 H new ATOM 0 HD23 LEU A 173 21.810 -1.987 -14.669 1.00 0.00 H new ATOM 558 N PRO A 174 21.687 1.305 -11.988 1.00 0.00 N ATOM 559 CA PRO A 174 21.202 2.414 -11.187 1.00 0.00 C ATOM 560 C PRO A 174 20.377 1.939 -9.983 1.00 0.00 C ATOM 561 O PRO A 174 20.868 1.945 -8.856 1.00 0.00 O ATOM 562 CB PRO A 174 20.363 3.274 -12.144 1.00 0.00 C ATOM 563 CG PRO A 174 20.143 2.433 -13.405 1.00 0.00 C ATOM 564 CD PRO A 174 21.121 1.261 -13.323 1.00 0.00 C ATOM 0 HA PRO A 174 22.028 2.980 -10.757 1.00 0.00 H new ATOM 0 HB2 PRO A 174 19.411 3.546 -11.688 1.00 0.00 H new ATOM 0 HB3 PRO A 174 20.879 4.204 -12.383 1.00 0.00 H new ATOM 0 HG2 PRO A 174 19.114 2.076 -13.459 1.00 0.00 H new ATOM 0 HG3 PRO A 174 20.322 3.025 -14.302 1.00 0.00 H new ATOM 0 HD2 PRO A 174 20.611 0.314 -13.499 1.00 0.00 H new ATOM 0 HD3 PRO A 174 21.900 1.349 -14.080 1.00 0.00 H new ATOM 572 N GLY A 175 19.117 1.546 -10.219 1.00 0.00 N ATOM 573 CA GLY A 175 18.212 1.153 -9.144 1.00 0.00 C ATOM 574 C GLY A 175 18.412 -0.305 -8.744 1.00 0.00 C ATOM 575 O GLY A 175 17.454 -1.077 -8.742 1.00 0.00 O ATOM 0 H GLY A 175 18.706 1.494 -11.151 1.00 0.00 H new ATOM 0 HA2 GLY A 175 18.376 1.794 -8.278 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.181 1.305 -9.463 1.00 0.00 H new ATOM 579 N ARG A 176 19.651 -0.679 -8.396 1.00 0.00 N ATOM 580 CA ARG A 176 19.971 -2.039 -7.966 1.00 0.00 C ATOM 581 C ARG A 176 21.006 -1.972 -6.842 1.00 0.00 C ATOM 582 O ARG A 176 21.575 -0.912 -6.587 1.00 0.00 O ATOM 583 CB ARG A 176 20.522 -2.855 -9.147 1.00 0.00 C ATOM 584 CG ARG A 176 19.475 -2.996 -10.268 1.00 0.00 C ATOM 585 CD ARG A 176 18.328 -3.913 -9.824 1.00 0.00 C ATOM 586 NE ARG A 176 17.432 -4.205 -10.957 1.00 0.00 N ATOM 587 CZ ARG A 176 16.253 -3.582 -11.167 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.824 -2.618 -10.337 1.00 0.00 N ATOM 589 NH2 ARG A 176 15.506 -3.931 -12.218 1.00 0.00 N ATOM 0 H ARG A 176 20.453 -0.048 -8.406 1.00 0.00 H new ATOM 0 HA ARG A 176 19.068 -2.530 -7.604 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.416 -2.371 -9.540 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.822 -3.844 -8.800 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.082 -2.014 -10.531 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.946 -3.401 -11.164 1.00 0.00 H new ATOM 0 HD2 ARG A 176 18.732 -4.843 -9.423 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.765 -3.438 -9.021 1.00 0.00 H new ATOM 0 HE ARG A 176 17.720 -4.922 -11.623 1.00 0.00 H new ATOM 0 HH11 ARG A 176 16.391 -2.347 -9.534 1.00 0.00 H new ATOM 0 HH12 ARG A 176 14.931 -2.157 -10.509 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.828 -4.662 -12.852 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.613 -3.467 -12.386 1.00 0.00 H new ATOM 603 N THR A 177 21.246 -3.108 -6.171 1.00 0.00 N ATOM 604 CA THR A 177 22.208 -3.180 -5.076 1.00 0.00 C ATOM 605 C THR A 177 23.037 -4.457 -5.197 1.00 0.00 C ATOM 606 O THR A 177 22.642 -5.398 -5.891 1.00 0.00 O ATOM 607 CB THR A 177 21.467 -3.151 -3.734 1.00 0.00 C ATOM 608 OG1 THR A 177 20.556 -4.228 -3.675 1.00 0.00 O ATOM 609 CG2 THR A 177 20.706 -1.832 -3.579 1.00 0.00 C ATOM 0 H THR A 177 20.780 -3.992 -6.374 1.00 0.00 H new ATOM 0 HA THR A 177 22.878 -2.322 -5.127 1.00 0.00 H new ATOM 0 HB THR A 177 22.194 -3.239 -2.927 1.00 0.00 H new ATOM 0 HG1 THR A 177 20.595 -4.642 -2.787 1.00 0.00 H new ATOM 0 HG21 THR A 177 20.184 -1.823 -2.622 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.409 -1.000 -3.616 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.982 -1.732 -4.388 1.00 0.00 H new ATOM 617 N ASP A 178 24.191 -4.487 -4.516 1.00 0.00 N ATOM 618 CA ASP A 178 25.083 -5.634 -4.546 1.00 0.00 C ATOM 619 C ASP A 178 24.375 -6.876 -4.016 1.00 0.00 C ATOM 620 O ASP A 178 24.556 -7.960 -4.556 1.00 0.00 O ATOM 621 CB ASP A 178 26.338 -5.329 -3.715 1.00 0.00 C ATOM 622 CG ASP A 178 26.059 -5.466 -2.222 1.00 0.00 C ATOM 623 OD1 ASP A 178 25.499 -4.503 -1.661 1.00 0.00 O ATOM 624 OD2 ASP A 178 26.406 -6.540 -1.676 1.00 0.00 O ATOM 0 H ASP A 178 24.523 -3.717 -3.935 1.00 0.00 H new ATOM 0 HA ASP A 178 25.379 -5.830 -5.577 1.00 0.00 H new ATOM 0 HB2 ASP A 178 27.141 -6.009 -4.001 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.684 -4.318 -3.932 1.00 0.00 H new ATOM 629 N ASN A 179 23.573 -6.723 -2.954 1.00 0.00 N ATOM 630 CA ASN A 179 22.869 -7.847 -2.356 1.00 0.00 C ATOM 631 C ASN A 179 21.795 -8.365 -3.312 1.00 0.00 C ATOM 632 O ASN A 179 21.606 -9.572 -3.426 1.00 0.00 O ATOM 633 CB ASN A 179 22.264 -7.428 -1.009 1.00 0.00 C ATOM 634 CG ASN A 179 21.157 -6.394 -1.184 1.00 0.00 C ATOM 635 OD1 ASN A 179 21.430 -5.203 -1.292 1.00 0.00 O ATOM 636 ND2 ASN A 179 19.904 -6.850 -1.213 1.00 0.00 N ATOM 0 H ASN A 179 23.400 -5.828 -2.497 1.00 0.00 H new ATOM 0 HA ASN A 179 23.573 -8.659 -2.173 1.00 0.00 H new ATOM 0 HB2 ASN A 179 21.865 -8.306 -0.501 1.00 0.00 H new ATOM 0 HB3 ASN A 179 23.047 -7.018 -0.370 1.00 0.00 H new ATOM 0 HD21 ASN A 179 19.127 -6.199 -1.329 1.00 0.00 H new ATOM 0 HD22 ASN A 179 19.723 -7.849 -1.119 1.00 0.00 H new ATOM 643 N ALA A 180 21.094 -7.455 -3.999 1.00 0.00 N ATOM 644 CA ALA A 180 20.042 -7.838 -4.926 1.00 0.00 C ATOM 645 C ALA A 180 20.632 -8.635 -6.088 1.00 0.00 C ATOM 646 O ALA A 180 20.165 -9.732 -6.384 1.00 0.00 O ATOM 647 CB ALA A 180 19.329 -6.586 -5.436 1.00 0.00 C ATOM 0 H ALA A 180 21.243 -6.449 -3.925 1.00 0.00 H new ATOM 0 HA ALA A 180 19.317 -8.470 -4.412 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.540 -6.874 -6.131 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.892 -6.048 -4.595 1.00 0.00 H new ATOM 0 HB3 ALA A 180 20.045 -5.942 -5.946 1.00 0.00 H new ATOM 653 N ILE A 181 21.656 -8.078 -6.746 1.00 0.00 N ATOM 654 CA ILE A 181 22.286 -8.726 -7.890 1.00 0.00 C ATOM 655 C ILE A 181 22.948 -10.036 -7.458 1.00 0.00 C ATOM 656 O ILE A 181 22.799 -11.051 -8.127 1.00 0.00 O ATOM 657 CB ILE A 181 23.326 -7.782 -8.515 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.646 -6.494 -9.005 1.00 0.00 C ATOM 659 CG2 ILE A 181 23.992 -8.481 -9.705 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.665 -5.356 -9.046 1.00 0.00 C ATOM 0 H ILE A 181 22.063 -7.176 -6.500 1.00 0.00 H new ATOM 0 HA ILE A 181 21.523 -8.954 -8.634 1.00 0.00 H new ATOM 0 HB ILE A 181 24.073 -7.529 -7.763 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.221 -6.650 -9.997 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.821 -6.232 -8.342 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.730 -7.815 -10.151 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.484 -9.392 -9.363 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.236 -8.734 -10.448 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.179 -4.445 -9.394 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.069 -5.193 -8.047 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.475 -5.617 -9.727 1.00 0.00 H new ATOM 672 N LYS A 182 23.683 -10.003 -6.343 1.00 0.00 N ATOM 673 CA LYS A 182 24.387 -11.172 -5.831 1.00 0.00 C ATOM 674 C LYS A 182 23.406 -12.315 -5.562 1.00 0.00 C ATOM 675 O LYS A 182 23.599 -13.425 -6.059 1.00 0.00 O ATOM 676 CB LYS A 182 25.128 -10.762 -4.555 1.00 0.00 C ATOM 677 CG LYS A 182 25.733 -11.980 -3.855 1.00 0.00 C ATOM 678 CD LYS A 182 26.783 -11.530 -2.821 1.00 0.00 C ATOM 679 CE LYS A 182 26.213 -10.441 -1.893 1.00 0.00 C ATOM 680 NZ LYS A 182 26.411 -9.086 -2.458 1.00 0.00 N ATOM 0 H LYS A 182 23.804 -9.165 -5.774 1.00 0.00 H new ATOM 0 HA LYS A 182 25.104 -11.534 -6.568 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.917 -10.051 -4.801 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.441 -10.254 -3.879 1.00 0.00 H new ATOM 0 HG2 LYS A 182 24.948 -12.553 -3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.195 -12.639 -4.590 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.105 -12.386 -2.228 1.00 0.00 H new ATOM 0 HD3 LYS A 182 27.665 -11.149 -3.336 1.00 0.00 H new ATOM 0 HE2 LYS A 182 25.149 -10.618 -1.734 1.00 0.00 H new ATOM 0 HE3 LYS A 182 26.696 -10.504 -0.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 26.507 -8.398 -1.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 27.273 -9.075 -3.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 25.592 -8.832 -3.047 1.00 0.00 H new ATOM 694 N ASN A 183 22.361 -12.046 -4.774 1.00 0.00 N ATOM 695 CA ASN A 183 21.372 -13.060 -4.430 1.00 0.00 C ATOM 696 C ASN A 183 20.678 -13.562 -5.695 1.00 0.00 C ATOM 697 O ASN A 183 20.545 -14.770 -5.891 1.00 0.00 O ATOM 698 CB ASN A 183 20.349 -12.472 -3.450 1.00 0.00 C ATOM 699 CG ASN A 183 20.991 -12.142 -2.101 1.00 0.00 C ATOM 700 OD1 ASN A 183 22.192 -12.324 -1.913 1.00 0.00 O ATOM 701 ND2 ASN A 183 20.183 -11.653 -1.159 1.00 0.00 N ATOM 0 H ASN A 183 22.182 -11.130 -4.363 1.00 0.00 H new ATOM 0 HA ASN A 183 21.870 -13.904 -3.952 1.00 0.00 H new ATOM 0 HB2 ASN A 183 19.912 -11.569 -3.877 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.535 -13.182 -3.303 1.00 0.00 H new ATOM 0 HD21 ASN A 183 20.556 -11.414 -0.240 1.00 0.00 H new ATOM 0 HD22 ASN A 183 19.192 -11.518 -1.357 1.00 0.00 H new ATOM 708 N HIS A 184 20.237 -12.632 -6.552 1.00 0.00 N ATOM 709 CA HIS A 184 19.560 -12.978 -7.793 1.00 0.00 C ATOM 710 C HIS A 184 20.441 -13.888 -8.642 1.00 0.00 C ATOM 711 O HIS A 184 19.967 -14.896 -9.169 1.00 0.00 O ATOM 712 CB HIS A 184 19.224 -11.698 -8.560 1.00 0.00 C ATOM 713 CG HIS A 184 18.851 -11.961 -9.996 1.00 0.00 C ATOM 714 ND1 HIS A 184 17.820 -12.819 -10.364 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.361 -11.495 -11.181 1.00 0.00 C ATOM 716 CE1 HIS A 184 17.773 -12.812 -11.712 1.00 0.00 C ATOM 717 NE2 HIS A 184 18.691 -12.023 -12.272 1.00 0.00 N ATOM 0 H HIS A 184 20.342 -11.629 -6.400 1.00 0.00 H new ATOM 0 HA HIS A 184 18.638 -13.513 -7.563 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.400 -11.187 -8.063 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.081 -11.025 -8.529 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.185 -10.801 -11.254 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.061 -13.389 -12.283 1.00 0.00 H new ATOM 0 HE2 HIS A 184 18.859 -11.850 -13.263 1.00 0.00 H new ATOM 725 N TRP A 185 21.722 -13.531 -8.786 1.00 0.00 N ATOM 726 CA TRP A 185 22.632 -14.310 -9.594 1.00 0.00 C ATOM 727 C TRP A 185 22.764 -15.713 -9.015 1.00 0.00 C ATOM 728 O TRP A 185 22.673 -16.694 -9.748 1.00 0.00 O ATOM 729 CB TRP A 185 24.003 -13.627 -9.684 1.00 0.00 C ATOM 730 CG TRP A 185 25.033 -14.415 -10.447 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.616 -15.541 -10.024 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.592 -14.179 -11.773 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.490 -16.036 -10.957 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.522 -15.225 -12.070 1.00 0.00 C ATOM 735 CE3 TRP A 185 25.405 -13.200 -12.760 1.00 0.00 C ATOM 736 CZ2 TRP A 185 27.227 -15.283 -13.275 1.00 0.00 C ATOM 737 CZ3 TRP A 185 26.116 -13.249 -13.977 1.00 0.00 C ATOM 738 CH2 TRP A 185 27.025 -14.288 -14.233 1.00 0.00 C ATOM 0 H TRP A 185 22.139 -12.709 -8.350 1.00 0.00 H new ATOM 0 HA TRP A 185 22.230 -14.383 -10.605 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.881 -12.653 -10.158 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.374 -13.446 -8.675 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.423 -16.003 -9.067 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.040 -16.887 -10.843 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.705 -12.396 -12.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.921 -16.089 -13.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.960 -12.480 -14.719 1.00 0.00 H new ATOM 0 HH2 TRP A 185 27.566 -14.317 -15.167 1.00 0.00 H new ATOM 749 N ASN A 186 22.978 -15.811 -7.696 1.00 0.00 N ATOM 750 CA ASN A 186 23.123 -17.100 -7.033 1.00 0.00 C ATOM 751 C ASN A 186 21.743 -17.726 -6.810 1.00 0.00 C ATOM 752 O ASN A 186 21.405 -18.119 -5.696 1.00 0.00 O ATOM 753 CB ASN A 186 23.875 -16.916 -5.710 1.00 0.00 C ATOM 754 CG ASN A 186 25.353 -16.640 -5.965 1.00 0.00 C ATOM 755 OD1 ASN A 186 26.153 -17.570 -6.046 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.716 -15.365 -6.094 1.00 0.00 N ATOM 0 H ASN A 186 23.054 -15.008 -7.072 1.00 0.00 H new ATOM 0 HA ASN A 186 23.702 -17.777 -7.661 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.437 -16.091 -5.149 1.00 0.00 H new ATOM 0 HB3 ASN A 186 23.767 -17.811 -5.097 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.693 -15.128 -6.268 1.00 0.00 H new ATOM 0 HD22 ASN A 186 25.017 -14.626 -6.019 1.00 0.00 H new ATOM 763 N SER A 187 20.956 -17.814 -7.890 1.00 0.00 N ATOM 764 CA SER A 187 19.620 -18.383 -7.864 1.00 0.00 C ATOM 765 C SER A 187 19.152 -18.595 -9.303 1.00 0.00 C ATOM 766 O SER A 187 18.753 -19.697 -9.672 1.00 0.00 O ATOM 767 CB SER A 187 18.658 -17.439 -7.126 1.00 0.00 C ATOM 768 OG SER A 187 18.754 -17.642 -5.733 1.00 0.00 O ATOM 0 H SER A 187 21.241 -17.486 -8.813 1.00 0.00 H new ATOM 0 HA SER A 187 19.634 -19.337 -7.337 1.00 0.00 H new ATOM 0 HB2 SER A 187 18.896 -16.403 -7.368 1.00 0.00 H new ATOM 0 HB3 SER A 187 17.635 -17.617 -7.458 1.00 0.00 H new ATOM 0 HG SER A 187 19.630 -18.025 -5.518 1.00 0.00 H new ATOM 774 N THR A 188 19.203 -17.524 -10.110 1.00 0.00 N ATOM 775 CA THR A 188 18.764 -17.563 -11.500 1.00 0.00 C ATOM 776 C THR A 188 19.963 -17.642 -12.453 1.00 0.00 C ATOM 777 O THR A 188 19.859 -18.238 -13.528 1.00 0.00 O ATOM 778 CB THR A 188 17.936 -16.302 -11.787 1.00 0.00 C ATOM 779 OG1 THR A 188 16.998 -16.105 -10.749 1.00 0.00 O ATOM 780 CG2 THR A 188 17.195 -16.454 -13.118 1.00 0.00 C ATOM 0 H THR A 188 19.550 -16.612 -9.812 1.00 0.00 H new ATOM 0 HA THR A 188 18.156 -18.453 -11.662 1.00 0.00 H new ATOM 0 HB THR A 188 18.605 -15.443 -11.844 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.029 -15.171 -10.453 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.610 -15.555 -13.314 1.00 0.00 H new ATOM 0 HG22 THR A 188 17.917 -16.599 -13.922 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.530 -17.316 -13.068 1.00 0.00 H new ATOM 788 N MET A 189 21.098 -17.034 -12.069 1.00 0.00 N ATOM 789 CA MET A 189 22.290 -17.004 -12.915 1.00 0.00 C ATOM 790 C MET A 189 23.333 -17.999 -12.411 1.00 0.00 C ATOM 791 O MET A 189 24.532 -17.733 -12.509 1.00 0.00 O ATOM 792 CB MET A 189 22.898 -15.601 -12.913 1.00 0.00 C ATOM 793 CG MET A 189 21.860 -14.533 -13.286 1.00 0.00 C ATOM 794 SD MET A 189 21.631 -14.321 -15.064 1.00 0.00 S ATOM 795 CE MET A 189 23.259 -13.657 -15.488 1.00 0.00 C ATOM 0 H MET A 189 21.209 -16.557 -11.174 1.00 0.00 H new ATOM 0 HA MET A 189 21.995 -17.277 -13.928 1.00 0.00 H new ATOM 0 HB2 MET A 189 23.307 -15.383 -11.926 1.00 0.00 H new ATOM 0 HB3 MET A 189 23.729 -15.563 -13.618 1.00 0.00 H new ATOM 0 HG2 MET A 189 20.903 -14.798 -12.836 1.00 0.00 H new ATOM 0 HG3 MET A 189 22.163 -13.580 -12.853 1.00 0.00 H new ATOM 0 HE1 MET A 189 23.249 -13.297 -16.517 1.00 0.00 H new ATOM 0 HE2 MET A 189 23.501 -12.832 -14.818 1.00 0.00 H new ATOM 0 HE3 MET A 189 24.010 -14.441 -15.385 1.00 0.00 H new ATOM 805 N ARG A 190 22.895 -19.143 -11.880 1.00 0.00 N ATOM 806 CA ARG A 190 23.815 -20.166 -11.399 1.00 0.00 C ATOM 807 C ARG A 190 24.347 -20.947 -12.599 1.00 0.00 C ATOM 808 O ARG A 190 24.116 -22.148 -12.723 1.00 0.00 O ATOM 809 CB ARG A 190 23.089 -21.076 -10.405 1.00 0.00 C ATOM 810 CG ARG A 190 22.887 -20.331 -9.080 1.00 0.00 C ATOM 811 CD ARG A 190 24.033 -20.647 -8.112 1.00 0.00 C ATOM 812 NE ARG A 190 23.991 -22.051 -7.681 1.00 0.00 N ATOM 813 CZ ARG A 190 24.752 -22.535 -6.683 1.00 0.00 C ATOM 814 NH1 ARG A 190 25.600 -21.729 -6.028 1.00 0.00 N ATOM 815 NH2 ARG A 190 24.662 -23.828 -6.342 1.00 0.00 N ATOM 0 H ARG A 190 21.909 -19.380 -11.774 1.00 0.00 H new ATOM 0 HA ARG A 190 24.660 -19.715 -10.879 1.00 0.00 H new ATOM 0 HB2 ARG A 190 22.125 -21.382 -10.813 1.00 0.00 H new ATOM 0 HB3 ARG A 190 23.667 -21.985 -10.239 1.00 0.00 H new ATOM 0 HG2 ARG A 190 22.841 -19.257 -9.262 1.00 0.00 H new ATOM 0 HG3 ARG A 190 21.935 -20.620 -8.634 1.00 0.00 H new ATOM 0 HD2 ARG A 190 24.988 -20.440 -8.595 1.00 0.00 H new ATOM 0 HD3 ARG A 190 23.968 -19.994 -7.241 1.00 0.00 H new ATOM 0 HE ARG A 190 23.355 -22.688 -8.161 1.00 0.00 H new ATOM 0 HH11 ARG A 190 25.670 -20.745 -6.286 1.00 0.00 H new ATOM 0 HH12 ARG A 190 26.175 -22.100 -5.272 1.00 0.00 H new ATOM 0 HH21 ARG A 190 24.017 -24.443 -6.839 1.00 0.00 H new ATOM 0 HH22 ARG A 190 25.238 -24.197 -5.586 1.00 0.00 H new