USER MOD reduce.3.24.130724 H: found=0, std=0, add=354, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 353 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 184 HIS : no HE2:sc= -1.29 X(o=-0.4,f=-0.58) USER MOD Set 1.2: A 187 SER OG : rot -89:sc= 0.898 USER MOD Set 1.3: A 188 THR OG1 : rot 83:sc= 0 USER MOD Set 2.1: A 177 THR OG1 : rot 111:sc= 0.389 USER MOD Set 2.2: A 179 ASN : amide:sc= 0.0891 K(o=0.48,f=-6.3!) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0.0318 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= -0.343 K(o=-0.34,f=-1) USER MOD Single : A 159 HIS : no HD1:sc= -2.91 K(o=-2.9,f=-1.9) USER MOD Single : A 160 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.092) USER MOD Single : A 164 ASN : amide:sc= 1.36 K(o=1.4,f=-13!) USER MOD Single : A 171 LYS NZ :NH3+ 165:sc= 1.25 (180deg=0.83) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 ASN : amide:sc= -1.08 X(o=-1.1,f=-0.66) USER MOD Single : A 186 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 189 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 120 N TRP A 147 13.343 -8.594 -12.090 1.00 0.00 N ATOM 121 CA TRP A 147 14.331 -8.750 -13.148 1.00 0.00 C ATOM 122 C TRP A 147 13.657 -8.828 -14.514 1.00 0.00 C ATOM 123 O TRP A 147 12.453 -9.067 -14.607 1.00 0.00 O ATOM 124 CB TRP A 147 15.166 -9.994 -12.859 1.00 0.00 C ATOM 125 CG TRP A 147 16.021 -9.846 -11.648 1.00 0.00 C ATOM 126 CD1 TRP A 147 15.636 -10.090 -10.385 1.00 0.00 C ATOM 127 CD2 TRP A 147 17.395 -9.377 -11.550 1.00 0.00 C ATOM 128 NE1 TRP A 147 16.646 -9.803 -9.501 1.00 0.00 N ATOM 129 CE2 TRP A 147 17.768 -9.351 -10.171 1.00 0.00 C ATOM 130 CE3 TRP A 147 18.369 -8.962 -12.485 1.00 0.00 C ATOM 131 CZ2 TRP A 147 19.028 -8.933 -9.745 1.00 0.00 C ATOM 132 CZ3 TRP A 147 19.646 -8.541 -12.060 1.00 0.00 C ATOM 133 CH2 TRP A 147 19.972 -8.527 -10.693 1.00 0.00 C ATOM 0 HA TRP A 147 14.988 -7.880 -13.171 1.00 0.00 H new ATOM 0 HB2 TRP A 147 14.503 -10.849 -12.728 1.00 0.00 H new ATOM 0 HB3 TRP A 147 15.798 -10.210 -13.720 1.00 0.00 H new ATOM 0 HD1 TRP A 147 14.662 -10.462 -10.103 1.00 0.00 H new ATOM 0 HE1 TRP A 147 16.578 -9.909 -8.489 1.00 0.00 H new ATOM 0 HE3 TRP A 147 18.133 -8.967 -13.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.272 -8.923 -8.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 20.378 -8.227 -12.790 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.952 -8.203 -10.375 1.00 0.00 H new ATOM 144 N THR A 148 14.452 -8.622 -15.571 1.00 0.00 N ATOM 145 CA THR A 148 13.972 -8.665 -16.943 1.00 0.00 C ATOM 146 C THR A 148 15.027 -9.341 -17.817 1.00 0.00 C ATOM 147 O THR A 148 16.156 -9.554 -17.372 1.00 0.00 O ATOM 148 CB THR A 148 13.704 -7.238 -17.447 1.00 0.00 C ATOM 149 OG1 THR A 148 14.911 -6.505 -17.454 1.00 0.00 O ATOM 150 CG2 THR A 148 12.685 -6.537 -16.542 1.00 0.00 C ATOM 0 H THR A 148 15.449 -8.421 -15.490 1.00 0.00 H new ATOM 0 HA THR A 148 13.042 -9.232 -16.991 1.00 0.00 H new ATOM 0 HB THR A 148 13.301 -7.291 -18.458 1.00 0.00 H new ATOM 0 HG1 THR A 148 14.740 -5.596 -17.777 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.505 -5.527 -16.911 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.750 -7.097 -16.545 1.00 0.00 H new ATOM 0 HG23 THR A 148 13.075 -6.488 -15.525 1.00 0.00 H new ATOM 158 N GLU A 149 14.652 -9.665 -19.063 1.00 0.00 N ATOM 159 CA GLU A 149 15.554 -10.298 -20.020 1.00 0.00 C ATOM 160 C GLU A 149 16.829 -9.466 -20.192 1.00 0.00 C ATOM 161 O GLU A 149 17.894 -10.011 -20.460 1.00 0.00 O ATOM 162 CB GLU A 149 14.833 -10.440 -21.367 1.00 0.00 C ATOM 163 CG GLU A 149 13.973 -11.710 -21.374 1.00 0.00 C ATOM 164 CD GLU A 149 14.838 -12.964 -21.473 1.00 0.00 C ATOM 165 OE1 GLU A 149 15.704 -12.992 -22.379 1.00 0.00 O ATOM 166 OE2 GLU A 149 14.619 -13.872 -20.646 1.00 0.00 O ATOM 0 H GLU A 149 13.716 -9.494 -19.429 1.00 0.00 H new ATOM 0 HA GLU A 149 15.839 -11.282 -19.648 1.00 0.00 H new ATOM 0 HB2 GLU A 149 14.206 -9.566 -21.547 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.562 -10.481 -22.176 1.00 0.00 H new ATOM 0 HG2 GLU A 149 13.373 -11.750 -20.465 1.00 0.00 H new ATOM 0 HG3 GLU A 149 13.279 -11.677 -22.214 1.00 0.00 H new ATOM 173 N GLU A 150 16.718 -8.144 -20.047 1.00 0.00 N ATOM 174 CA GLU A 150 17.853 -7.255 -20.207 1.00 0.00 C ATOM 175 C GLU A 150 18.752 -7.315 -18.968 1.00 0.00 C ATOM 176 O GLU A 150 19.956 -7.542 -19.084 1.00 0.00 O ATOM 177 CB GLU A 150 17.335 -5.832 -20.448 1.00 0.00 C ATOM 178 CG GLU A 150 18.502 -4.899 -20.775 1.00 0.00 C ATOM 179 CD GLU A 150 17.996 -3.543 -21.249 1.00 0.00 C ATOM 180 OE1 GLU A 150 17.498 -3.492 -22.394 1.00 0.00 O ATOM 181 OE2 GLU A 150 18.117 -2.583 -20.457 1.00 0.00 O ATOM 0 H GLU A 150 15.844 -7.670 -19.818 1.00 0.00 H new ATOM 0 HA GLU A 150 18.452 -7.565 -21.063 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.617 -5.831 -21.268 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.808 -5.473 -19.564 1.00 0.00 H new ATOM 0 HG2 GLU A 150 19.128 -4.770 -19.892 1.00 0.00 H new ATOM 0 HG3 GLU A 150 19.127 -5.348 -21.546 1.00 0.00 H new ATOM 188 N GLU A 151 18.162 -7.099 -17.786 1.00 0.00 N ATOM 189 CA GLU A 151 18.906 -7.068 -16.533 1.00 0.00 C ATOM 190 C GLU A 151 19.697 -8.364 -16.311 1.00 0.00 C ATOM 191 O GLU A 151 20.910 -8.318 -16.111 1.00 0.00 O ATOM 192 CB GLU A 151 17.932 -6.840 -15.371 1.00 0.00 C ATOM 193 CG GLU A 151 17.332 -5.428 -15.439 1.00 0.00 C ATOM 194 CD GLU A 151 18.090 -4.465 -14.531 1.00 0.00 C ATOM 195 OE1 GLU A 151 19.330 -4.401 -14.678 1.00 0.00 O ATOM 196 OE2 GLU A 151 17.415 -3.816 -13.703 1.00 0.00 O ATOM 0 H GLU A 151 17.160 -6.942 -17.677 1.00 0.00 H new ATOM 0 HA GLU A 151 19.625 -6.250 -16.582 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.134 -7.582 -15.407 1.00 0.00 H new ATOM 0 HB3 GLU A 151 18.451 -6.975 -14.422 1.00 0.00 H new ATOM 0 HG2 GLU A 151 17.364 -5.065 -16.466 1.00 0.00 H new ATOM 0 HG3 GLU A 151 16.283 -5.461 -15.145 1.00 0.00 H new ATOM 203 N ASP A 152 19.013 -9.519 -16.325 1.00 0.00 N ATOM 204 CA ASP A 152 19.661 -10.800 -16.040 1.00 0.00 C ATOM 205 C ASP A 152 20.752 -11.110 -17.074 1.00 0.00 C ATOM 206 O ASP A 152 21.832 -11.571 -16.711 1.00 0.00 O ATOM 207 CB ASP A 152 18.606 -11.919 -15.984 1.00 0.00 C ATOM 208 CG ASP A 152 18.346 -12.524 -17.359 1.00 0.00 C ATOM 209 OD1 ASP A 152 17.762 -11.806 -18.191 1.00 0.00 O ATOM 210 OD2 ASP A 152 18.740 -13.695 -17.548 1.00 0.00 O ATOM 0 H ASP A 152 18.016 -9.588 -16.530 1.00 0.00 H new ATOM 0 HA ASP A 152 20.149 -10.737 -15.067 1.00 0.00 H new ATOM 0 HB2 ASP A 152 18.941 -12.700 -15.301 1.00 0.00 H new ATOM 0 HB3 ASP A 152 17.675 -11.521 -15.581 1.00 0.00 H new ATOM 215 N ARG A 153 20.475 -10.864 -18.356 1.00 0.00 N ATOM 216 CA ARG A 153 21.436 -11.137 -19.412 1.00 0.00 C ATOM 217 C ARG A 153 22.698 -10.299 -19.201 1.00 0.00 C ATOM 218 O ARG A 153 23.812 -10.825 -19.266 1.00 0.00 O ATOM 219 CB ARG A 153 20.782 -10.848 -20.764 1.00 0.00 C ATOM 220 CG ARG A 153 21.722 -11.256 -21.902 1.00 0.00 C ATOM 221 CD ARG A 153 20.912 -11.538 -23.175 1.00 0.00 C ATOM 222 NE ARG A 153 20.150 -12.797 -23.052 1.00 0.00 N ATOM 223 CZ ARG A 153 18.812 -12.861 -22.853 1.00 0.00 C ATOM 224 NH1 ARG A 153 18.086 -11.753 -22.677 1.00 0.00 N ATOM 225 NH2 ARG A 153 18.198 -14.046 -22.828 1.00 0.00 N ATOM 0 H ARG A 153 19.590 -10.476 -18.682 1.00 0.00 H new ATOM 0 HA ARG A 153 21.735 -12.185 -19.390 1.00 0.00 H new ATOM 0 HB2 ARG A 153 19.842 -11.393 -20.846 1.00 0.00 H new ATOM 0 HB3 ARG A 153 20.543 -9.787 -20.842 1.00 0.00 H new ATOM 0 HG2 ARG A 153 22.445 -10.463 -22.089 1.00 0.00 H new ATOM 0 HG3 ARG A 153 22.288 -12.143 -21.617 1.00 0.00 H new ATOM 0 HD2 ARG A 153 20.227 -10.712 -23.364 1.00 0.00 H new ATOM 0 HD3 ARG A 153 21.584 -11.598 -24.031 1.00 0.00 H new ATOM 0 HE ARG A 153 20.665 -13.675 -23.121 1.00 0.00 H new ATOM 0 HH11 ARG A 153 18.539 -10.839 -22.691 1.00 0.00 H new ATOM 0 HH12 ARG A 153 17.079 -11.821 -22.528 1.00 0.00 H new ATOM 0 HH21 ARG A 153 18.737 -14.902 -22.959 1.00 0.00 H new ATOM 0 HH22 ARG A 153 17.190 -14.095 -22.678 1.00 0.00 H new ATOM 239 N ILE A 154 22.525 -8.998 -18.940 1.00 0.00 N ATOM 240 CA ILE A 154 23.650 -8.105 -18.704 1.00 0.00 C ATOM 241 C ILE A 154 24.415 -8.552 -17.454 1.00 0.00 C ATOM 242 O ILE A 154 25.635 -8.428 -17.404 1.00 0.00 O ATOM 243 CB ILE A 154 23.138 -6.661 -18.559 1.00 0.00 C ATOM 244 CG1 ILE A 154 22.704 -6.140 -19.940 1.00 0.00 C ATOM 245 CG2 ILE A 154 24.249 -5.763 -17.995 1.00 0.00 C ATOM 246 CD1 ILE A 154 21.979 -4.799 -19.797 1.00 0.00 C ATOM 0 H ILE A 154 21.612 -8.546 -18.888 1.00 0.00 H new ATOM 0 HA ILE A 154 24.336 -8.142 -19.550 1.00 0.00 H new ATOM 0 HB ILE A 154 22.290 -6.645 -17.875 1.00 0.00 H new ATOM 0 HG12 ILE A 154 23.576 -6.023 -20.583 1.00 0.00 H new ATOM 0 HG13 ILE A 154 22.049 -6.866 -20.421 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.877 -4.743 -17.896 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.555 -6.134 -17.017 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.104 -5.774 -18.671 1.00 0.00 H new ATOM 0 HD11 ILE A 154 21.677 -4.442 -20.782 1.00 0.00 H new ATOM 0 HD12 ILE A 154 21.096 -4.928 -19.171 1.00 0.00 H new ATOM 0 HD13 ILE A 154 22.647 -4.072 -19.336 1.00 0.00 H new ATOM 258 N LEU A 155 23.695 -9.069 -16.446 1.00 0.00 N ATOM 259 CA LEU A 155 24.309 -9.512 -15.199 1.00 0.00 C ATOM 260 C LEU A 155 25.447 -10.494 -15.481 1.00 0.00 C ATOM 261 O LEU A 155 26.542 -10.333 -14.954 1.00 0.00 O ATOM 262 CB LEU A 155 23.237 -10.162 -14.306 1.00 0.00 C ATOM 263 CG LEU A 155 23.725 -10.278 -12.852 1.00 0.00 C ATOM 264 CD1 LEU A 155 24.070 -8.888 -12.304 1.00 0.00 C ATOM 265 CD2 LEU A 155 22.610 -10.892 -12.004 1.00 0.00 C ATOM 0 H LEU A 155 22.682 -9.188 -16.478 1.00 0.00 H new ATOM 0 HA LEU A 155 24.731 -8.652 -14.680 1.00 0.00 H new ATOM 0 HB2 LEU A 155 22.323 -9.570 -14.340 1.00 0.00 H new ATOM 0 HB3 LEU A 155 22.990 -11.152 -14.690 1.00 0.00 H new ATOM 0 HG LEU A 155 24.615 -10.907 -12.816 1.00 0.00 H new ATOM 0 HD11 LEU A 155 24.415 -8.978 -11.274 1.00 0.00 H new ATOM 0 HD12 LEU A 155 24.857 -8.442 -12.912 1.00 0.00 H new ATOM 0 HD13 LEU A 155 23.184 -8.254 -12.336 1.00 0.00 H new ATOM 0 HD21 LEU A 155 22.945 -10.979 -10.970 1.00 0.00 H new ATOM 0 HD22 LEU A 155 21.727 -10.254 -12.047 1.00 0.00 H new ATOM 0 HD23 LEU A 155 22.362 -11.881 -12.390 1.00 0.00 H new ATOM 277 N TYR A 156 25.185 -11.512 -16.308 1.00 0.00 N ATOM 278 CA TYR A 156 26.187 -12.522 -16.632 1.00 0.00 C ATOM 279 C TYR A 156 27.315 -11.907 -17.458 1.00 0.00 C ATOM 280 O TYR A 156 28.492 -12.113 -17.148 1.00 0.00 O ATOM 281 CB TYR A 156 25.507 -13.675 -17.384 1.00 0.00 C ATOM 282 CG TYR A 156 26.461 -14.716 -17.956 1.00 0.00 C ATOM 283 CD1 TYR A 156 27.670 -15.032 -17.299 1.00 0.00 C ATOM 284 CD2 TYR A 156 26.122 -15.383 -19.149 1.00 0.00 C ATOM 285 CE1 TYR A 156 28.528 -16.007 -17.835 1.00 0.00 C ATOM 286 CE2 TYR A 156 26.984 -16.354 -19.683 1.00 0.00 C ATOM 287 CZ TYR A 156 28.186 -16.667 -19.027 1.00 0.00 C ATOM 288 OH TYR A 156 29.020 -17.611 -19.546 1.00 0.00 O ATOM 0 H TYR A 156 24.284 -11.655 -16.764 1.00 0.00 H new ATOM 0 HA TYR A 156 26.630 -12.912 -15.716 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.813 -14.172 -16.707 1.00 0.00 H new ATOM 0 HB3 TYR A 156 24.914 -13.259 -18.199 1.00 0.00 H new ATOM 0 HD1 TYR A 156 27.936 -14.524 -16.384 1.00 0.00 H new ATOM 0 HD2 TYR A 156 25.197 -15.147 -19.654 1.00 0.00 H new ATOM 0 HE1 TYR A 156 29.451 -16.249 -17.330 1.00 0.00 H new ATOM 0 HE2 TYR A 156 26.722 -16.861 -20.600 1.00 0.00 H new ATOM 0 HH TYR A 156 28.634 -17.970 -20.372 1.00 0.00 H new ATOM 298 N GLN A 157 26.966 -11.153 -18.507 1.00 0.00 N ATOM 299 CA GLN A 157 27.961 -10.520 -19.365 1.00 0.00 C ATOM 300 C GLN A 157 28.925 -9.684 -18.520 1.00 0.00 C ATOM 301 O GLN A 157 30.130 -9.694 -18.763 1.00 0.00 O ATOM 302 CB GLN A 157 27.261 -9.645 -20.414 1.00 0.00 C ATOM 303 CG GLN A 157 27.085 -10.421 -21.728 1.00 0.00 C ATOM 304 CD GLN A 157 25.979 -11.469 -21.620 1.00 0.00 C ATOM 305 OE1 GLN A 157 24.870 -11.250 -22.092 1.00 0.00 O ATOM 306 NE2 GLN A 157 26.285 -12.611 -21.004 1.00 0.00 N ATOM 0 H GLN A 157 26.000 -10.969 -18.778 1.00 0.00 H new ATOM 0 HA GLN A 157 28.535 -11.290 -19.881 1.00 0.00 H new ATOM 0 HB2 GLN A 157 26.288 -9.326 -20.040 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.846 -8.743 -20.593 1.00 0.00 H new ATOM 0 HG2 GLN A 157 26.850 -9.725 -22.533 1.00 0.00 H new ATOM 0 HG3 GLN A 157 28.024 -10.908 -21.992 1.00 0.00 H new ATOM 0 HE21 GLN A 157 27.222 -12.751 -20.625 1.00 0.00 H new ATOM 0 HE22 GLN A 157 25.582 -13.345 -20.911 1.00 0.00 H new ATOM 315 N ALA A 158 28.393 -8.966 -17.530 1.00 0.00 N ATOM 316 CA ALA A 158 29.200 -8.134 -16.656 1.00 0.00 C ATOM 317 C ALA A 158 30.018 -9.004 -15.706 1.00 0.00 C ATOM 318 O ALA A 158 31.222 -8.816 -15.575 1.00 0.00 O ATOM 319 CB ALA A 158 28.285 -7.207 -15.854 1.00 0.00 C ATOM 0 H ALA A 158 27.396 -8.949 -17.317 1.00 0.00 H new ATOM 0 HA ALA A 158 29.885 -7.539 -17.260 1.00 0.00 H new ATOM 0 HB1 ALA A 158 28.888 -6.581 -15.196 1.00 0.00 H new ATOM 0 HB2 ALA A 158 27.718 -6.575 -16.537 1.00 0.00 H new ATOM 0 HB3 ALA A 158 27.596 -7.804 -15.256 1.00 0.00 H new ATOM 325 N HIS A 159 29.348 -9.944 -15.037 1.00 0.00 N ATOM 326 CA HIS A 159 29.974 -10.798 -14.042 1.00 0.00 C ATOM 327 C HIS A 159 31.225 -11.490 -14.582 1.00 0.00 C ATOM 328 O HIS A 159 32.244 -11.526 -13.904 1.00 0.00 O ATOM 329 CB HIS A 159 28.965 -11.840 -13.564 1.00 0.00 C ATOM 330 CG HIS A 159 29.485 -12.623 -12.396 1.00 0.00 C ATOM 331 ND1 HIS A 159 29.823 -13.968 -12.473 1.00 0.00 N ATOM 332 CD2 HIS A 159 29.747 -12.266 -11.104 1.00 0.00 C ATOM 333 CE1 HIS A 159 30.254 -14.330 -11.249 1.00 0.00 C ATOM 334 NE2 HIS A 159 30.232 -13.334 -10.362 1.00 0.00 N ATOM 0 H HIS A 159 28.355 -10.130 -15.175 1.00 0.00 H new ATOM 0 HA HIS A 159 30.288 -10.169 -13.209 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.035 -11.344 -13.285 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.730 -12.521 -14.382 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.595 -11.273 -10.708 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.585 -15.330 -11.009 1.00 0.00 H new ATOM 0 HE2 HIS A 159 30.505 -13.353 -9.379 1.00 0.00 H new ATOM 342 N LYS A 160 31.150 -12.058 -15.785 1.00 0.00 N ATOM 343 CA LYS A 160 32.272 -12.806 -16.335 1.00 0.00 C ATOM 344 C LYS A 160 33.387 -11.871 -16.826 1.00 0.00 C ATOM 345 O LYS A 160 34.551 -12.264 -16.835 1.00 0.00 O ATOM 346 CB LYS A 160 31.773 -13.719 -17.465 1.00 0.00 C ATOM 347 CG LYS A 160 31.469 -12.901 -18.725 1.00 0.00 C ATOM 348 CD LYS A 160 30.724 -13.778 -19.737 1.00 0.00 C ATOM 349 CE LYS A 160 30.697 -13.090 -21.106 1.00 0.00 C ATOM 350 NZ LYS A 160 32.008 -13.178 -21.776 1.00 0.00 N ATOM 0 H LYS A 160 30.330 -12.014 -16.390 1.00 0.00 H new ATOM 0 HA LYS A 160 32.702 -13.422 -15.545 1.00 0.00 H new ATOM 0 HB2 LYS A 160 32.526 -14.475 -17.688 1.00 0.00 H new ATOM 0 HB3 LYS A 160 30.876 -14.248 -17.143 1.00 0.00 H new ATOM 0 HG2 LYS A 160 30.866 -12.030 -18.469 1.00 0.00 H new ATOM 0 HG3 LYS A 160 32.396 -12.529 -19.163 1.00 0.00 H new ATOM 0 HD2 LYS A 160 31.212 -14.749 -19.818 1.00 0.00 H new ATOM 0 HD3 LYS A 160 29.706 -13.961 -19.392 1.00 0.00 H new ATOM 0 HE2 LYS A 160 29.934 -13.552 -21.733 1.00 0.00 H new ATOM 0 HE3 LYS A 160 30.418 -12.043 -20.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 31.910 -12.890 -22.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 32.685 -12.549 -21.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 32.355 -14.157 -21.732 1.00 0.00 H new ATOM 364 N ARG A 161 33.038 -10.642 -17.239 1.00 0.00 N ATOM 365 CA ARG A 161 34.026 -9.696 -17.752 1.00 0.00 C ATOM 366 C ARG A 161 34.685 -8.945 -16.589 1.00 0.00 C ATOM 367 O ARG A 161 35.894 -9.047 -16.391 1.00 0.00 O ATOM 368 CB ARG A 161 33.340 -8.727 -18.732 1.00 0.00 C ATOM 369 CG ARG A 161 34.341 -8.222 -19.785 1.00 0.00 C ATOM 370 CD ARG A 161 35.513 -7.501 -19.113 1.00 0.00 C ATOM 371 NE ARG A 161 36.261 -6.691 -20.083 1.00 0.00 N ATOM 372 CZ ARG A 161 37.358 -5.987 -19.754 1.00 0.00 C ATOM 373 NH1 ARG A 161 37.818 -6.009 -18.494 1.00 0.00 N ATOM 374 NH2 ARG A 161 37.993 -5.264 -20.685 1.00 0.00 N ATOM 0 H ARG A 161 32.082 -10.287 -17.226 1.00 0.00 H new ATOM 0 HA ARG A 161 34.810 -10.231 -18.288 1.00 0.00 H new ATOM 0 HB2 ARG A 161 32.508 -9.229 -19.225 1.00 0.00 H new ATOM 0 HB3 ARG A 161 32.923 -7.882 -18.184 1.00 0.00 H new ATOM 0 HG2 ARG A 161 34.712 -9.061 -20.373 1.00 0.00 H new ATOM 0 HG3 ARG A 161 33.839 -7.545 -20.477 1.00 0.00 H new ATOM 0 HD2 ARG A 161 35.140 -6.863 -18.312 1.00 0.00 H new ATOM 0 HD3 ARG A 161 36.179 -8.232 -18.654 1.00 0.00 H new ATOM 0 HE ARG A 161 35.934 -6.661 -21.049 1.00 0.00 H new ATOM 0 HH11 ARG A 161 37.335 -6.560 -17.784 1.00 0.00 H new ATOM 0 HH12 ARG A 161 38.650 -5.474 -18.246 1.00 0.00 H new ATOM 0 HH21 ARG A 161 37.644 -5.247 -21.643 1.00 0.00 H new ATOM 0 HH22 ARG A 161 38.825 -4.730 -20.436 1.00 0.00 H new ATOM 388 N LEU A 162 33.890 -8.189 -15.823 1.00 0.00 N ATOM 389 CA LEU A 162 34.401 -7.419 -14.694 1.00 0.00 C ATOM 390 C LEU A 162 34.894 -8.365 -13.601 1.00 0.00 C ATOM 391 O LEU A 162 35.805 -8.021 -12.849 1.00 0.00 O ATOM 392 CB LEU A 162 33.288 -6.513 -14.127 1.00 0.00 C ATOM 393 CG LEU A 162 33.090 -5.235 -14.972 1.00 0.00 C ATOM 394 CD1 LEU A 162 34.382 -4.408 -15.010 1.00 0.00 C ATOM 395 CD2 LEU A 162 32.659 -5.587 -16.398 1.00 0.00 C ATOM 0 H LEU A 162 32.885 -8.097 -15.970 1.00 0.00 H new ATOM 0 HA LEU A 162 35.230 -6.799 -15.036 1.00 0.00 H new ATOM 0 HB2 LEU A 162 32.352 -7.070 -14.089 1.00 0.00 H new ATOM 0 HB3 LEU A 162 33.535 -6.235 -13.102 1.00 0.00 H new ATOM 0 HG LEU A 162 32.303 -4.643 -14.504 1.00 0.00 H new ATOM 0 HD11 LEU A 162 34.223 -3.512 -15.610 1.00 0.00 H new ATOM 0 HD12 LEU A 162 34.660 -4.121 -13.996 1.00 0.00 H new ATOM 0 HD13 LEU A 162 35.182 -5.003 -15.451 1.00 0.00 H new ATOM 0 HD21 LEU A 162 32.526 -4.671 -16.974 1.00 0.00 H new ATOM 0 HD22 LEU A 162 33.425 -6.203 -16.868 1.00 0.00 H new ATOM 0 HD23 LEU A 162 31.719 -6.137 -16.368 1.00 0.00 H new ATOM 407 N GLY A 163 34.281 -9.551 -13.509 1.00 0.00 N ATOM 408 CA GLY A 163 34.613 -10.525 -12.486 1.00 0.00 C ATOM 409 C GLY A 163 33.553 -10.466 -11.393 1.00 0.00 C ATOM 410 O GLY A 163 32.529 -9.811 -11.559 1.00 0.00 O ATOM 0 H GLY A 163 33.543 -9.853 -14.145 1.00 0.00 H new ATOM 0 HA2 GLY A 163 34.656 -11.525 -12.917 1.00 0.00 H new ATOM 0 HA3 GLY A 163 35.598 -10.314 -12.069 1.00 0.00 H new ATOM 414 N ASN A 164 33.794 -11.138 -10.270 1.00 0.00 N ATOM 415 CA ASN A 164 32.847 -11.142 -9.160 1.00 0.00 C ATOM 416 C ASN A 164 33.009 -9.873 -8.315 1.00 0.00 C ATOM 417 O ASN A 164 33.018 -9.934 -7.086 1.00 0.00 O ATOM 418 CB ASN A 164 33.052 -12.417 -8.338 1.00 0.00 C ATOM 419 CG ASN A 164 34.410 -12.428 -7.634 1.00 0.00 C ATOM 420 OD1 ASN A 164 35.420 -12.027 -8.213 1.00 0.00 O ATOM 421 ND2 ASN A 164 34.435 -12.889 -6.384 1.00 0.00 N ATOM 0 H ASN A 164 34.638 -11.687 -10.105 1.00 0.00 H new ATOM 0 HA ASN A 164 31.824 -11.139 -9.537 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.258 -12.503 -7.596 1.00 0.00 H new ATOM 0 HB3 ASN A 164 32.974 -13.287 -8.991 1.00 0.00 H new ATOM 0 HD21 ASN A 164 35.315 -12.919 -5.869 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.574 -13.212 -5.942 1.00 0.00 H new ATOM 428 N ARG A 165 33.120 -8.719 -8.992 1.00 0.00 N ATOM 429 CA ARG A 165 33.229 -7.425 -8.338 1.00 0.00 C ATOM 430 C ARG A 165 31.867 -6.751 -8.422 1.00 0.00 C ATOM 431 O ARG A 165 31.688 -5.776 -9.153 1.00 0.00 O ATOM 432 CB ARG A 165 34.310 -6.571 -9.024 1.00 0.00 C ATOM 433 CG ARG A 165 35.708 -7.123 -8.705 1.00 0.00 C ATOM 434 CD ARG A 165 36.078 -8.249 -9.682 1.00 0.00 C ATOM 435 NE ARG A 165 36.433 -9.480 -8.963 1.00 0.00 N ATOM 436 CZ ARG A 165 37.609 -9.658 -8.336 1.00 0.00 C ATOM 437 NH1 ARG A 165 38.519 -8.675 -8.308 1.00 0.00 N ATOM 438 NH2 ARG A 165 37.867 -10.826 -7.738 1.00 0.00 N ATOM 0 H ARG A 165 33.136 -8.667 -10.011 1.00 0.00 H new ATOM 0 HA ARG A 165 33.522 -7.543 -7.295 1.00 0.00 H new ATOM 0 HB2 ARG A 165 34.150 -6.568 -10.102 1.00 0.00 H new ATOM 0 HB3 ARG A 165 34.234 -5.537 -8.687 1.00 0.00 H new ATOM 0 HG2 ARG A 165 36.445 -6.322 -8.768 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.732 -7.499 -7.682 1.00 0.00 H new ATOM 0 HD2 ARG A 165 35.240 -8.444 -10.351 1.00 0.00 H new ATOM 0 HD3 ARG A 165 36.915 -7.934 -10.304 1.00 0.00 H new ATOM 0 HE ARG A 165 35.752 -10.239 -8.938 1.00 0.00 H new ATOM 0 HH11 ARG A 165 38.322 -7.784 -8.764 1.00 0.00 H new ATOM 0 HH12 ARG A 165 39.409 -8.817 -7.830 1.00 0.00 H new ATOM 0 HH21 ARG A 165 37.174 -11.574 -7.760 1.00 0.00 H new ATOM 0 HH22 ARG A 165 38.757 -10.969 -7.260 1.00 0.00 H new ATOM 452 N TRP A 166 30.904 -7.292 -7.673 1.00 0.00 N ATOM 453 CA TRP A 166 29.537 -6.800 -7.673 1.00 0.00 C ATOM 454 C TRP A 166 29.485 -5.299 -7.385 1.00 0.00 C ATOM 455 O TRP A 166 28.613 -4.607 -7.902 1.00 0.00 O ATOM 456 CB TRP A 166 28.734 -7.585 -6.642 1.00 0.00 C ATOM 457 CG TRP A 166 28.594 -9.046 -6.952 1.00 0.00 C ATOM 458 CD1 TRP A 166 29.018 -10.057 -6.176 1.00 0.00 C ATOM 459 CD2 TRP A 166 27.995 -9.686 -8.121 1.00 0.00 C ATOM 460 NE1 TRP A 166 28.719 -11.273 -6.740 1.00 0.00 N ATOM 461 CE2 TRP A 166 28.075 -11.105 -7.950 1.00 0.00 C ATOM 462 CE3 TRP A 166 27.390 -9.221 -9.311 1.00 0.00 C ATOM 463 CZ2 TRP A 166 27.568 -12.003 -8.893 1.00 0.00 C ATOM 464 CZ3 TRP A 166 26.882 -10.127 -10.267 1.00 0.00 C ATOM 465 CH2 TRP A 166 26.966 -11.512 -10.054 1.00 0.00 C ATOM 0 H TRP A 166 31.057 -8.085 -7.050 1.00 0.00 H new ATOM 0 HA TRP A 166 29.102 -6.946 -8.662 1.00 0.00 H new ATOM 0 HB2 TRP A 166 29.211 -7.476 -5.668 1.00 0.00 H new ATOM 0 HB3 TRP A 166 27.740 -7.146 -6.561 1.00 0.00 H new ATOM 0 HD1 TRP A 166 29.527 -9.930 -5.232 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.942 -12.176 -6.322 1.00 0.00 H new ATOM 0 HE3 TRP A 166 27.315 -8.159 -9.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 27.641 -13.067 -8.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.425 -9.751 -11.170 1.00 0.00 H new ATOM 0 HH2 TRP A 166 26.566 -12.197 -10.787 1.00 0.00 H new ATOM 476 N ALA A 167 30.418 -4.794 -6.569 1.00 0.00 N ATOM 477 CA ALA A 167 30.472 -3.376 -6.246 1.00 0.00 C ATOM 478 C ALA A 167 30.621 -2.557 -7.531 1.00 0.00 C ATOM 479 O ALA A 167 29.868 -1.612 -7.757 1.00 0.00 O ATOM 480 CB ALA A 167 31.644 -3.117 -5.299 1.00 0.00 C ATOM 0 H ALA A 167 31.145 -5.354 -6.123 1.00 0.00 H new ATOM 0 HA ALA A 167 29.548 -3.074 -5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.687 -2.055 -5.055 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.507 -3.694 -4.384 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.574 -3.417 -5.781 1.00 0.00 H new ATOM 486 N GLU A 168 31.598 -2.926 -8.370 1.00 0.00 N ATOM 487 CA GLU A 168 31.852 -2.237 -9.627 1.00 0.00 C ATOM 488 C GLU A 168 30.675 -2.443 -10.580 1.00 0.00 C ATOM 489 O GLU A 168 30.191 -1.495 -11.181 1.00 0.00 O ATOM 490 CB GLU A 168 33.162 -2.774 -10.233 1.00 0.00 C ATOM 491 CG GLU A 168 33.331 -2.311 -11.690 1.00 0.00 C ATOM 492 CD GLU A 168 33.253 -0.793 -11.819 1.00 0.00 C ATOM 493 OE1 GLU A 168 33.809 -0.114 -10.930 1.00 0.00 O ATOM 494 OE2 GLU A 168 32.636 -0.338 -12.810 1.00 0.00 O ATOM 0 H GLU A 168 32.228 -3.708 -8.191 1.00 0.00 H new ATOM 0 HA GLU A 168 31.957 -1.166 -9.455 1.00 0.00 H new ATOM 0 HB2 GLU A 168 34.009 -2.430 -9.639 1.00 0.00 H new ATOM 0 HB3 GLU A 168 33.165 -3.863 -10.192 1.00 0.00 H new ATOM 0 HG2 GLU A 168 34.291 -2.659 -12.072 1.00 0.00 H new ATOM 0 HG3 GLU A 168 32.558 -2.768 -12.308 1.00 0.00 H new ATOM 501 N ILE A 169 30.221 -3.686 -10.720 1.00 0.00 N ATOM 502 CA ILE A 169 29.126 -4.013 -11.623 1.00 0.00 C ATOM 503 C ILE A 169 27.886 -3.168 -11.307 1.00 0.00 C ATOM 504 O ILE A 169 27.265 -2.621 -12.215 1.00 0.00 O ATOM 505 CB ILE A 169 28.816 -5.510 -11.503 1.00 0.00 C ATOM 506 CG1 ILE A 169 29.972 -6.313 -12.122 1.00 0.00 C ATOM 507 CG2 ILE A 169 27.509 -5.835 -12.241 1.00 0.00 C ATOM 508 CD1 ILE A 169 29.969 -7.748 -11.592 1.00 0.00 C ATOM 0 H ILE A 169 30.599 -4.487 -10.215 1.00 0.00 H new ATOM 0 HA ILE A 169 29.419 -3.786 -12.648 1.00 0.00 H new ATOM 0 HB ILE A 169 28.703 -5.775 -10.452 1.00 0.00 H new ATOM 0 HG12 ILE A 169 29.878 -6.320 -13.208 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.923 -5.834 -11.887 1.00 0.00 H new ATOM 0 HG21 ILE A 169 27.296 -6.900 -12.151 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.691 -5.263 -11.802 1.00 0.00 H new ATOM 0 HG23 ILE A 169 27.611 -5.573 -13.294 1.00 0.00 H new ATOM 0 HD11 ILE A 169 30.793 -8.303 -12.040 1.00 0.00 H new ATOM 0 HD12 ILE A 169 30.086 -7.736 -10.508 1.00 0.00 H new ATOM 0 HD13 ILE A 169 29.025 -8.229 -11.850 1.00 0.00 H new ATOM 520 N ALA A 170 27.519 -3.069 -10.026 1.00 0.00 N ATOM 521 CA ALA A 170 26.327 -2.333 -9.624 1.00 0.00 C ATOM 522 C ALA A 170 26.560 -0.820 -9.638 1.00 0.00 C ATOM 523 O ALA A 170 25.600 -0.060 -9.525 1.00 0.00 O ATOM 524 CB ALA A 170 25.894 -2.783 -8.234 1.00 0.00 C ATOM 0 H ALA A 170 28.033 -3.491 -9.253 1.00 0.00 H new ATOM 0 HA ALA A 170 25.539 -2.549 -10.345 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.003 -2.232 -7.934 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.673 -3.850 -8.250 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.697 -2.589 -7.522 1.00 0.00 H new ATOM 530 N LYS A 171 27.816 -0.370 -9.774 1.00 0.00 N ATOM 531 CA LYS A 171 28.109 1.059 -9.774 1.00 0.00 C ATOM 532 C LYS A 171 27.413 1.742 -10.958 1.00 0.00 C ATOM 533 O LYS A 171 27.104 2.930 -10.885 1.00 0.00 O ATOM 534 CB LYS A 171 29.636 1.281 -9.770 1.00 0.00 C ATOM 535 CG LYS A 171 30.223 1.324 -11.192 1.00 0.00 C ATOM 536 CD LYS A 171 30.227 2.758 -11.743 1.00 0.00 C ATOM 537 CE LYS A 171 31.389 2.928 -12.730 1.00 0.00 C ATOM 538 NZ LYS A 171 31.392 1.860 -13.747 1.00 0.00 N ATOM 0 H LYS A 171 28.632 -0.972 -9.884 1.00 0.00 H new ATOM 0 HA LYS A 171 27.714 1.519 -8.868 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.864 2.215 -9.257 1.00 0.00 H new ATOM 0 HB3 LYS A 171 30.116 0.482 -9.205 1.00 0.00 H new ATOM 0 HG2 LYS A 171 31.240 0.932 -11.181 1.00 0.00 H new ATOM 0 HG3 LYS A 171 29.640 0.680 -11.850 1.00 0.00 H new ATOM 0 HD2 LYS A 171 29.280 2.970 -12.240 1.00 0.00 H new ATOM 0 HD3 LYS A 171 30.324 3.472 -10.925 1.00 0.00 H new ATOM 0 HE2 LYS A 171 31.313 3.899 -13.220 1.00 0.00 H new ATOM 0 HE3 LYS A 171 32.334 2.918 -12.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 32.015 2.132 -14.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 31.738 0.976 -13.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 30.425 1.717 -14.103 1.00 0.00 H new ATOM 552 N LEU A 172 27.155 0.985 -12.040 1.00 0.00 N ATOM 553 CA LEU A 172 26.467 1.510 -13.215 1.00 0.00 C ATOM 554 C LEU A 172 25.011 1.018 -13.243 1.00 0.00 C ATOM 555 O LEU A 172 24.277 1.325 -14.181 1.00 0.00 O ATOM 556 CB LEU A 172 27.220 1.088 -14.486 1.00 0.00 C ATOM 557 CG LEU A 172 27.204 -0.443 -14.645 1.00 0.00 C ATOM 558 CD1 LEU A 172 26.600 -0.813 -16.002 1.00 0.00 C ATOM 559 CD2 LEU A 172 28.633 -0.987 -14.561 1.00 0.00 C ATOM 0 H LEU A 172 27.418 0.002 -12.117 1.00 0.00 H new ATOM 0 HA LEU A 172 26.451 2.599 -13.169 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.761 1.554 -15.358 1.00 0.00 H new ATOM 0 HB3 LEU A 172 28.250 1.443 -14.440 1.00 0.00 H new ATOM 0 HG LEU A 172 26.603 -0.879 -13.847 1.00 0.00 H new ATOM 0 HD11 LEU A 172 26.590 -1.897 -16.112 1.00 0.00 H new ATOM 0 HD12 LEU A 172 25.580 -0.432 -16.062 1.00 0.00 H new ATOM 0 HD13 LEU A 172 27.199 -0.373 -16.799 1.00 0.00 H new ATOM 0 HD21 LEU A 172 28.617 -2.071 -14.674 1.00 0.00 H new ATOM 0 HD22 LEU A 172 29.237 -0.548 -15.355 1.00 0.00 H new ATOM 0 HD23 LEU A 172 29.064 -0.729 -13.594 1.00 0.00 H new ATOM 571 N LEU A 173 24.598 0.257 -12.210 1.00 0.00 N ATOM 572 CA LEU A 173 23.240 -0.269 -12.114 1.00 0.00 C ATOM 573 C LEU A 173 22.688 -0.011 -10.707 1.00 0.00 C ATOM 574 O LEU A 173 22.583 -0.940 -9.912 1.00 0.00 O ATOM 575 CB LEU A 173 23.241 -1.777 -12.418 1.00 0.00 C ATOM 576 CG LEU A 173 23.553 -2.037 -13.899 1.00 0.00 C ATOM 577 CD1 LEU A 173 23.984 -3.496 -14.074 1.00 0.00 C ATOM 578 CD2 LEU A 173 22.308 -1.772 -14.752 1.00 0.00 C ATOM 0 H LEU A 173 25.199 -0.004 -11.428 1.00 0.00 H new ATOM 0 HA LEU A 173 22.604 0.234 -12.843 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.981 -2.278 -11.793 1.00 0.00 H new ATOM 0 HB3 LEU A 173 22.270 -2.203 -12.166 1.00 0.00 H new ATOM 0 HG LEU A 173 24.354 -1.371 -14.219 1.00 0.00 H new ATOM 0 HD11 LEU A 173 24.207 -3.686 -15.124 1.00 0.00 H new ATOM 0 HD12 LEU A 173 24.874 -3.687 -13.474 1.00 0.00 H new ATOM 0 HD13 LEU A 173 23.179 -4.155 -13.749 1.00 0.00 H new ATOM 0 HD21 LEU A 173 22.539 -1.959 -15.801 1.00 0.00 H new ATOM 0 HD22 LEU A 173 21.502 -2.433 -14.434 1.00 0.00 H new ATOM 0 HD23 LEU A 173 21.996 -0.735 -14.628 1.00 0.00 H new ATOM 590 N PRO A 174 22.328 1.252 -10.394 1.00 0.00 N ATOM 591 CA PRO A 174 21.786 1.610 -9.097 1.00 0.00 C ATOM 592 C PRO A 174 20.501 0.829 -8.810 1.00 0.00 C ATOM 593 O PRO A 174 20.233 0.477 -7.663 1.00 0.00 O ATOM 594 CB PRO A 174 21.521 3.118 -9.153 1.00 0.00 C ATOM 595 CG PRO A 174 21.913 3.591 -10.559 1.00 0.00 C ATOM 596 CD PRO A 174 22.441 2.368 -11.310 1.00 0.00 C ATOM 0 HA PRO A 174 22.478 1.364 -8.292 1.00 0.00 H new ATOM 0 HB2 PRO A 174 20.471 3.333 -8.953 1.00 0.00 H new ATOM 0 HB3 PRO A 174 22.104 3.640 -8.394 1.00 0.00 H new ATOM 0 HG2 PRO A 174 21.054 4.020 -11.075 1.00 0.00 H new ATOM 0 HG3 PRO A 174 22.674 4.369 -10.506 1.00 0.00 H new ATOM 0 HD2 PRO A 174 21.863 2.188 -12.216 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.476 2.517 -11.617 1.00 0.00 H new ATOM 604 N GLY A 175 19.709 0.562 -9.859 1.00 0.00 N ATOM 605 CA GLY A 175 18.458 -0.172 -9.725 1.00 0.00 C ATOM 606 C GLY A 175 18.706 -1.609 -9.256 1.00 0.00 C ATOM 607 O GLY A 175 17.783 -2.262 -8.765 1.00 0.00 O ATOM 0 H GLY A 175 19.922 0.850 -10.814 1.00 0.00 H new ATOM 0 HA2 GLY A 175 17.808 0.338 -9.014 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.936 -0.184 -10.682 1.00 0.00 H new ATOM 611 N ARG A 176 19.945 -2.103 -9.409 1.00 0.00 N ATOM 612 CA ARG A 176 20.308 -3.451 -8.994 1.00 0.00 C ATOM 613 C ARG A 176 21.266 -3.360 -7.806 1.00 0.00 C ATOM 614 O ARG A 176 22.441 -3.051 -7.978 1.00 0.00 O ATOM 615 CB ARG A 176 20.969 -4.192 -10.165 1.00 0.00 C ATOM 616 CG ARG A 176 20.025 -4.265 -11.377 1.00 0.00 C ATOM 617 CD ARG A 176 18.840 -5.195 -11.083 1.00 0.00 C ATOM 618 NE ARG A 176 17.668 -4.430 -10.626 1.00 0.00 N ATOM 619 CZ ARG A 176 16.399 -4.729 -10.971 1.00 0.00 C ATOM 620 NH1 ARG A 176 16.117 -5.854 -11.642 1.00 0.00 N ATOM 621 NH2 ARG A 176 15.409 -3.894 -10.637 1.00 0.00 N ATOM 0 H ARG A 176 20.714 -1.576 -9.823 1.00 0.00 H new ATOM 0 HA ARG A 176 19.418 -4.005 -8.696 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.890 -3.683 -10.448 1.00 0.00 H new ATOM 0 HB3 ARG A 176 21.244 -5.200 -9.853 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.660 -3.267 -11.621 1.00 0.00 H new ATOM 0 HG3 ARG A 176 20.571 -4.627 -12.249 1.00 0.00 H new ATOM 0 HD2 ARG A 176 18.584 -5.758 -11.981 1.00 0.00 H new ATOM 0 HD3 ARG A 176 19.124 -5.921 -10.322 1.00 0.00 H new ATOM 0 HE ARG A 176 17.825 -3.629 -10.014 1.00 0.00 H new ATOM 0 HH11 ARG A 176 16.867 -6.497 -11.898 1.00 0.00 H new ATOM 0 HH12 ARG A 176 15.153 -6.068 -11.897 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.616 -3.037 -10.124 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.447 -4.114 -10.895 1.00 0.00 H new ATOM 635 N THR A 177 20.760 -3.629 -6.599 1.00 0.00 N ATOM 636 CA THR A 177 21.573 -3.566 -5.393 1.00 0.00 C ATOM 637 C THR A 177 22.415 -4.838 -5.280 1.00 0.00 C ATOM 638 O THR A 177 21.997 -5.899 -5.735 1.00 0.00 O ATOM 639 CB THR A 177 20.662 -3.392 -4.174 1.00 0.00 C ATOM 640 OG1 THR A 177 19.567 -4.281 -4.263 1.00 0.00 O ATOM 641 CG2 THR A 177 20.143 -1.953 -4.122 1.00 0.00 C ATOM 0 H THR A 177 19.788 -3.893 -6.437 1.00 0.00 H new ATOM 0 HA THR A 177 22.249 -2.712 -5.439 1.00 0.00 H new ATOM 0 HB THR A 177 21.231 -3.608 -3.270 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.654 -4.977 -3.578 1.00 0.00 H new ATOM 0 HG21 THR A 177 19.495 -1.831 -3.254 1.00 0.00 H new ATOM 0 HG22 THR A 177 20.985 -1.265 -4.046 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.579 -1.737 -5.029 1.00 0.00 H new ATOM 649 N ASP A 178 23.607 -4.718 -4.681 1.00 0.00 N ATOM 650 CA ASP A 178 24.544 -5.833 -4.551 1.00 0.00 C ATOM 651 C ASP A 178 23.861 -7.067 -3.951 1.00 0.00 C ATOM 652 O ASP A 178 23.967 -8.160 -4.507 1.00 0.00 O ATOM 653 CB ASP A 178 25.745 -5.394 -3.699 1.00 0.00 C ATOM 654 CG ASP A 178 25.366 -5.214 -2.232 1.00 0.00 C ATOM 655 OD1 ASP A 178 24.400 -4.460 -1.980 1.00 0.00 O ATOM 656 OD2 ASP A 178 26.047 -5.837 -1.390 1.00 0.00 O ATOM 0 H ASP A 178 23.945 -3.846 -4.275 1.00 0.00 H new ATOM 0 HA ASP A 178 24.897 -6.114 -5.543 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.539 -6.137 -3.780 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.144 -4.457 -4.089 1.00 0.00 H new ATOM 661 N ASN A 179 23.167 -6.904 -2.822 1.00 0.00 N ATOM 662 CA ASN A 179 22.511 -8.021 -2.162 1.00 0.00 C ATOM 663 C ASN A 179 21.506 -8.681 -3.110 1.00 0.00 C ATOM 664 O ASN A 179 21.510 -9.900 -3.256 1.00 0.00 O ATOM 665 CB ASN A 179 21.841 -7.549 -0.859 1.00 0.00 C ATOM 666 CG ASN A 179 20.694 -6.571 -1.115 1.00 0.00 C ATOM 667 OD1 ASN A 179 20.774 -5.734 -2.006 1.00 0.00 O ATOM 668 ND2 ASN A 179 19.627 -6.679 -0.325 1.00 0.00 N ATOM 0 H ASN A 179 23.048 -6.007 -2.351 1.00 0.00 H new ATOM 0 HA ASN A 179 23.257 -8.771 -1.898 1.00 0.00 H new ATOM 0 HB2 ASN A 179 21.463 -8.414 -0.314 1.00 0.00 H new ATOM 0 HB3 ASN A 179 22.586 -7.072 -0.222 1.00 0.00 H new ATOM 0 HD21 ASN A 179 18.834 -6.050 -0.450 1.00 0.00 H new ATOM 0 HD22 ASN A 179 19.603 -7.391 0.405 1.00 0.00 H new ATOM 675 N ALA A 180 20.652 -7.879 -3.759 1.00 0.00 N ATOM 676 CA ALA A 180 19.652 -8.395 -4.683 1.00 0.00 C ATOM 677 C ALA A 180 20.327 -9.122 -5.844 1.00 0.00 C ATOM 678 O ALA A 180 19.849 -10.163 -6.283 1.00 0.00 O ATOM 679 CB ALA A 180 18.804 -7.240 -5.207 1.00 0.00 C ATOM 0 H ALA A 180 20.640 -6.864 -3.655 1.00 0.00 H new ATOM 0 HA ALA A 180 19.012 -9.105 -4.159 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.054 -7.624 -5.899 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.308 -6.745 -4.372 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.443 -6.525 -5.725 1.00 0.00 H new ATOM 685 N ILE A 181 21.435 -8.566 -6.337 1.00 0.00 N ATOM 686 CA ILE A 181 22.170 -9.147 -7.447 1.00 0.00 C ATOM 687 C ILE A 181 22.638 -10.542 -7.093 1.00 0.00 C ATOM 688 O ILE A 181 22.437 -11.467 -7.859 1.00 0.00 O ATOM 689 CB ILE A 181 23.358 -8.249 -7.789 1.00 0.00 C ATOM 690 CG1 ILE A 181 22.860 -7.072 -8.617 1.00 0.00 C ATOM 691 CG2 ILE A 181 24.395 -9.039 -8.585 1.00 0.00 C ATOM 692 CD1 ILE A 181 23.835 -5.897 -8.506 1.00 0.00 C ATOM 0 H ILE A 181 21.842 -7.703 -5.975 1.00 0.00 H new ATOM 0 HA ILE A 181 21.517 -9.221 -8.317 1.00 0.00 H new ATOM 0 HB ILE A 181 23.822 -7.887 -6.872 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.756 -7.370 -9.660 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.872 -6.768 -8.272 1.00 0.00 H new ATOM 0 HG21 ILE A 181 25.239 -8.392 -8.825 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.743 -9.884 -7.991 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.944 -9.405 -9.507 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.468 -5.062 -9.102 1.00 0.00 H new ATOM 0 HD12 ILE A 181 23.917 -5.590 -7.463 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.815 -6.202 -8.873 1.00 0.00 H new ATOM 704 N LYS A 182 23.267 -10.689 -5.936 1.00 0.00 N ATOM 705 CA LYS A 182 23.766 -11.976 -5.499 1.00 0.00 C ATOM 706 C LYS A 182 22.620 -12.915 -5.223 1.00 0.00 C ATOM 707 O LYS A 182 22.694 -14.091 -5.567 1.00 0.00 O ATOM 708 CB LYS A 182 24.585 -11.786 -4.253 1.00 0.00 C ATOM 709 CG LYS A 182 25.943 -11.223 -4.634 1.00 0.00 C ATOM 710 CD LYS A 182 26.401 -10.249 -3.547 1.00 0.00 C ATOM 711 CE LYS A 182 26.337 -10.928 -2.164 1.00 0.00 C ATOM 712 NZ LYS A 182 27.368 -11.972 -2.035 1.00 0.00 N ATOM 0 H LYS A 182 23.442 -9.926 -5.283 1.00 0.00 H new ATOM 0 HA LYS A 182 24.385 -12.410 -6.284 1.00 0.00 H new ATOM 0 HB2 LYS A 182 24.076 -11.109 -3.568 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.704 -12.736 -3.732 1.00 0.00 H new ATOM 0 HG2 LYS A 182 26.667 -12.030 -4.746 1.00 0.00 H new ATOM 0 HG3 LYS A 182 25.883 -10.713 -5.595 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.419 -9.917 -3.751 1.00 0.00 H new ATOM 0 HD3 LYS A 182 25.769 -9.361 -3.554 1.00 0.00 H new ATOM 0 HE2 LYS A 182 26.473 -10.181 -1.382 1.00 0.00 H new ATOM 0 HE3 LYS A 182 25.350 -11.367 -2.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 27.301 -12.412 -1.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 27.222 -12.696 -2.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 28.310 -11.546 -2.152 1.00 0.00 H new ATOM 726 N ASN A 183 21.552 -12.407 -4.597 1.00 0.00 N ATOM 727 CA ASN A 183 20.403 -13.230 -4.315 1.00 0.00 C ATOM 728 C ASN A 183 19.917 -13.820 -5.637 1.00 0.00 C ATOM 729 O ASN A 183 19.621 -15.010 -5.727 1.00 0.00 O ATOM 730 CB ASN A 183 19.285 -12.398 -3.663 1.00 0.00 C ATOM 731 CG ASN A 183 19.632 -11.943 -2.244 1.00 0.00 C ATOM 732 OD1 ASN A 183 19.287 -10.828 -1.853 1.00 0.00 O ATOM 733 ND2 ASN A 183 20.300 -12.799 -1.468 1.00 0.00 N ATOM 0 H ASN A 183 21.473 -11.439 -4.285 1.00 0.00 H new ATOM 0 HA ASN A 183 20.674 -14.023 -3.618 1.00 0.00 H new ATOM 0 HB2 ASN A 183 19.083 -11.523 -4.281 1.00 0.00 H new ATOM 0 HB3 ASN A 183 18.369 -12.988 -3.636 1.00 0.00 H new ATOM 0 HD21 ASN A 183 20.543 -12.538 -0.512 1.00 0.00 H new ATOM 0 HD22 ASN A 183 20.567 -13.714 -1.831 1.00 0.00 H new ATOM 740 N HIS A 184 19.851 -12.962 -6.664 1.00 0.00 N ATOM 741 CA HIS A 184 19.428 -13.350 -7.995 1.00 0.00 C ATOM 742 C HIS A 184 20.445 -14.302 -8.621 1.00 0.00 C ATOM 743 O HIS A 184 20.068 -15.279 -9.262 1.00 0.00 O ATOM 744 CB HIS A 184 19.303 -12.095 -8.866 1.00 0.00 C ATOM 745 CG HIS A 184 18.685 -12.391 -10.207 1.00 0.00 C ATOM 746 ND1 HIS A 184 17.446 -13.005 -10.349 1.00 0.00 N ATOM 747 CD2 HIS A 184 19.118 -12.175 -11.490 1.00 0.00 C ATOM 748 CE1 HIS A 184 17.219 -13.116 -11.674 1.00 0.00 C ATOM 749 NE2 HIS A 184 18.203 -12.628 -12.426 1.00 0.00 N ATOM 0 H HIS A 184 20.094 -11.975 -6.583 1.00 0.00 H new ATOM 0 HA HIS A 184 18.466 -13.858 -7.929 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.698 -11.353 -8.345 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.290 -11.657 -9.012 1.00 0.00 H new ATOM 0 HD1 HIS A 184 16.829 -13.312 -9.597 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.059 -11.708 -11.740 1.00 0.00 H new ATOM 0 HE1 HIS A 184 16.324 -13.559 -12.086 1.00 0.00 H new ATOM 757 N TRP A 185 21.738 -14.000 -8.448 1.00 0.00 N ATOM 758 CA TRP A 185 22.797 -14.777 -9.056 1.00 0.00 C ATOM 759 C TRP A 185 22.778 -16.218 -8.543 1.00 0.00 C ATOM 760 O TRP A 185 22.867 -17.156 -9.327 1.00 0.00 O ATOM 761 CB TRP A 185 24.161 -14.122 -8.806 1.00 0.00 C ATOM 762 CG TRP A 185 25.245 -14.693 -9.657 1.00 0.00 C ATOM 763 CD1 TRP A 185 26.270 -15.450 -9.236 1.00 0.00 C ATOM 764 CD2 TRP A 185 25.409 -14.587 -11.098 1.00 0.00 C ATOM 765 NE1 TRP A 185 27.065 -15.831 -10.291 1.00 0.00 N ATOM 766 CE2 TRP A 185 26.571 -15.324 -11.480 1.00 0.00 C ATOM 767 CE3 TRP A 185 24.691 -13.944 -12.129 1.00 0.00 C ATOM 768 CZ2 TRP A 185 26.985 -15.424 -12.809 1.00 0.00 C ATOM 769 CZ3 TRP A 185 25.108 -14.043 -13.470 1.00 0.00 C ATOM 770 CH2 TRP A 185 26.246 -14.789 -13.807 1.00 0.00 C ATOM 0 H TRP A 185 22.066 -13.215 -7.885 1.00 0.00 H new ATOM 0 HA TRP A 185 22.627 -14.803 -10.132 1.00 0.00 H new ATOM 0 HB2 TRP A 185 24.084 -13.051 -8.995 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.429 -14.242 -7.756 1.00 0.00 H new ATOM 0 HD1 TRP A 185 26.447 -15.723 -8.206 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.903 -16.407 -10.209 1.00 0.00 H new ATOM 0 HE3 TRP A 185 23.810 -13.368 -11.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.870 -15.988 -13.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 24.547 -13.541 -14.244 1.00 0.00 H new ATOM 0 HH2 TRP A 185 26.551 -14.872 -14.840 1.00 0.00 H new ATOM 781 N ASN A 186 22.670 -16.386 -7.226 1.00 0.00 N ATOM 782 CA ASN A 186 22.689 -17.703 -6.610 1.00 0.00 C ATOM 783 C ASN A 186 21.388 -18.467 -6.876 1.00 0.00 C ATOM 784 O ASN A 186 21.413 -19.683 -7.023 1.00 0.00 O ATOM 785 CB ASN A 186 22.913 -17.537 -5.105 1.00 0.00 C ATOM 786 CG ASN A 186 23.005 -18.893 -4.413 1.00 0.00 C ATOM 787 OD1 ASN A 186 22.023 -19.377 -3.859 1.00 0.00 O ATOM 788 ND2 ASN A 186 24.189 -19.505 -4.443 1.00 0.00 N ATOM 0 H ASN A 186 22.568 -15.617 -6.564 1.00 0.00 H new ATOM 0 HA ASN A 186 23.499 -18.287 -7.047 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.829 -16.973 -4.930 1.00 0.00 H new ATOM 0 HB3 ASN A 186 22.095 -16.959 -4.674 1.00 0.00 H new ATOM 0 HD21 ASN A 186 24.305 -20.413 -3.993 1.00 0.00 H new ATOM 0 HD22 ASN A 186 24.979 -19.065 -4.916 1.00 0.00 H new ATOM 795 N SER A 187 20.253 -17.767 -6.921 1.00 0.00 N ATOM 796 CA SER A 187 18.964 -18.420 -7.109 1.00 0.00 C ATOM 797 C SER A 187 18.727 -18.803 -8.573 1.00 0.00 C ATOM 798 O SER A 187 18.179 -19.869 -8.844 1.00 0.00 O ATOM 799 CB SER A 187 17.848 -17.492 -6.621 1.00 0.00 C ATOM 800 OG SER A 187 17.844 -16.305 -7.384 1.00 0.00 O ATOM 0 H SER A 187 20.204 -16.752 -6.830 1.00 0.00 H new ATOM 0 HA SER A 187 18.963 -19.341 -6.527 1.00 0.00 H new ATOM 0 HB2 SER A 187 16.883 -17.993 -6.706 1.00 0.00 H new ATOM 0 HB3 SER A 187 17.993 -17.257 -5.567 1.00 0.00 H new ATOM 0 HG SER A 187 18.440 -15.647 -6.969 1.00 0.00 H new ATOM 806 N THR A 188 19.114 -17.928 -9.510 1.00 0.00 N ATOM 807 CA THR A 188 18.833 -18.136 -10.927 1.00 0.00 C ATOM 808 C THR A 188 20.068 -18.572 -11.705 1.00 0.00 C ATOM 809 O THR A 188 20.077 -19.644 -12.309 1.00 0.00 O ATOM 810 CB THR A 188 18.259 -16.832 -11.506 1.00 0.00 C ATOM 811 OG1 THR A 188 17.212 -16.368 -10.678 1.00 0.00 O ATOM 812 CG2 THR A 188 17.717 -17.079 -12.916 1.00 0.00 C ATOM 0 H THR A 188 19.624 -17.068 -9.306 1.00 0.00 H new ATOM 0 HA THR A 188 18.109 -18.945 -11.023 1.00 0.00 H new ATOM 0 HB THR A 188 19.051 -16.085 -11.551 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.588 -15.864 -9.926 1.00 0.00 H new ATOM 0 HG21 THR A 188 17.312 -16.150 -13.318 1.00 0.00 H new ATOM 0 HG22 THR A 188 18.523 -17.432 -13.559 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.929 -17.831 -12.876 1.00 0.00 H new ATOM 820 N MET A 189 21.093 -17.731 -11.721 1.00 0.00 N ATOM 821 CA MET A 189 22.277 -17.964 -12.526 1.00 0.00 C ATOM 822 C MET A 189 23.210 -18.996 -11.887 1.00 0.00 C ATOM 823 O MET A 189 24.267 -18.645 -11.364 1.00 0.00 O ATOM 824 CB MET A 189 22.981 -16.630 -12.716 1.00 0.00 C ATOM 825 CG MET A 189 22.171 -15.747 -13.670 1.00 0.00 C ATOM 826 SD MET A 189 22.305 -16.227 -15.410 1.00 0.00 S ATOM 827 CE MET A 189 21.190 -14.999 -16.130 1.00 0.00 C ATOM 0 H MET A 189 21.124 -16.870 -11.176 1.00 0.00 H new ATOM 0 HA MET A 189 21.985 -18.379 -13.491 1.00 0.00 H new ATOM 0 HB2 MET A 189 23.098 -16.130 -11.754 1.00 0.00 H new ATOM 0 HB3 MET A 189 23.982 -16.790 -13.116 1.00 0.00 H new ATOM 0 HG2 MET A 189 21.122 -15.778 -13.375 1.00 0.00 H new ATOM 0 HG3 MET A 189 22.502 -14.714 -13.562 1.00 0.00 H new ATOM 0 HE1 MET A 189 21.143 -15.139 -17.210 1.00 0.00 H new ATOM 0 HE2 MET A 189 20.193 -15.119 -15.705 1.00 0.00 H new ATOM 0 HE3 MET A 189 21.560 -13.998 -15.909 1.00 0.00 H new