USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 487 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 38 CYS SG : rot -160:sc= -0.26 USER MOD Set 1.2: A 42 CYS SG : rot 58:sc= 1.69 USER MOD Set 1.3: A 69 CYS SG : rot 175:sc= -0.281 USER MOD Set 1.4: A 72 CYS SG : rot -50:sc= -0.676 USER MOD Single : A 11 GLN : amide:sc= -0.0698 X(o=-0.07,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.043 X(o=-0.043,f=-0.043) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.01 X(o=-1,f=-0.62) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 170:sc= 0 USER MOD Single : A 41 SER OG : rot -48:sc= -0.0516 USER MOD Single : A 46 HIS : no HD1:sc= -2.48 X(o=-2.5,f=-2.5!) USER MOD Single : A 51 ASN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot -148:sc= -0.757 USER MOD Single : A 57 ASN : amide:sc= -1.51! C(o=-1.5!,f=-8.5!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -1.21 X(o=-1.2,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 131 N ASP A 9 -0.204 9.288 14.864 1.00 0.00 N ATOM 132 CA ASP A 9 0.580 8.503 13.901 1.00 0.00 C ATOM 133 C ASP A 9 0.957 7.120 14.475 1.00 0.00 C ATOM 134 O ASP A 9 1.192 6.176 13.718 1.00 0.00 O ATOM 135 CB ASP A 9 1.837 9.298 13.487 1.00 0.00 C ATOM 136 CG ASP A 9 1.541 10.773 13.188 1.00 0.00 C ATOM 137 OD1 ASP A 9 0.567 11.024 12.445 1.00 0.00 O ATOM 138 OD2 ASP A 9 2.292 11.629 13.707 1.00 0.00 O ATOM 0 HA ASP A 9 -0.031 8.324 13.017 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.578 9.236 14.284 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.278 8.835 12.604 1.00 0.00 H new ATOM 143 N ASP A 10 0.995 6.998 15.815 1.00 0.00 N ATOM 144 CA ASP A 10 1.031 5.727 16.555 1.00 0.00 C ATOM 145 C ASP A 10 0.050 4.703 15.949 1.00 0.00 C ATOM 146 O ASP A 10 0.446 3.752 15.264 1.00 0.00 O ATOM 147 CB ASP A 10 0.722 6.000 18.045 1.00 0.00 C ATOM 148 CG ASP A 10 1.862 6.707 18.785 1.00 0.00 C ATOM 149 OD1 ASP A 10 3.025 6.297 18.574 1.00 0.00 O ATOM 150 OD2 ASP A 10 1.555 7.643 19.557 1.00 0.00 O ATOM 0 H ASP A 10 1.002 7.811 16.431 1.00 0.00 H new ATOM 0 HA ASP A 10 2.027 5.291 16.477 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -0.179 6.609 18.115 1.00 0.00 H new ATOM 0 HB3 ASP A 10 0.507 5.054 18.543 1.00 0.00 H new ATOM 155 N GLN A 11 -1.261 4.883 16.217 1.00 0.00 N ATOM 156 CA GLN A 11 -2.310 3.897 15.919 1.00 0.00 C ATOM 157 C GLN A 11 -2.648 3.894 14.415 1.00 0.00 C ATOM 158 O GLN A 11 -3.211 2.923 13.909 1.00 0.00 O ATOM 159 CB GLN A 11 -3.557 4.212 16.774 1.00 0.00 C ATOM 160 CG GLN A 11 -4.208 2.963 17.397 1.00 0.00 C ATOM 161 CD GLN A 11 -3.910 2.761 18.890 1.00 0.00 C ATOM 162 OE1 GLN A 11 -4.777 2.301 19.631 1.00 0.00 O ATOM 163 NE2 GLN A 11 -2.702 3.101 19.351 1.00 0.00 N ATOM 0 H GLN A 11 -1.621 5.732 16.653 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.952 2.899 16.170 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.277 4.901 17.571 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.293 4.724 16.154 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.288 3.027 17.261 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.870 2.083 16.851 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.001 3.480 18.714 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.481 2.981 20.340 1.00 0.00 H new ATOM 172 N ARG A 12 -2.286 4.972 13.690 1.00 0.00 N ATOM 173 CA ARG A 12 -2.139 4.984 12.226 1.00 0.00 C ATOM 174 C ARG A 12 -1.386 3.713 11.762 1.00 0.00 C ATOM 175 O ARG A 12 -1.858 2.912 10.957 1.00 0.00 O ATOM 176 CB ARG A 12 -1.378 6.253 11.800 1.00 0.00 C ATOM 177 CG ARG A 12 -2.276 7.412 11.342 1.00 0.00 C ATOM 178 CD ARG A 12 -3.545 7.537 12.194 1.00 0.00 C ATOM 179 NE ARG A 12 -4.368 8.670 11.743 1.00 0.00 N ATOM 180 CZ ARG A 12 -5.585 8.603 11.175 1.00 0.00 C ATOM 181 NH1 ARG A 12 -6.178 7.427 10.917 1.00 0.00 N ATOM 182 NH2 ARG A 12 -6.226 9.740 10.862 1.00 0.00 N ATOM 0 H ARG A 12 -2.084 5.876 14.118 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.123 4.989 11.758 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.767 6.592 12.636 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.696 5.997 10.990 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.715 8.345 11.391 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.555 7.262 10.299 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.123 6.615 12.132 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.274 7.673 13.241 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.975 9.602 11.875 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.705 6.555 11.153 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.102 7.406 10.485 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.789 10.641 11.055 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.150 9.703 10.431 1.00 0.00 H new ATOM 196 N TRP A 13 -0.169 3.532 12.346 1.00 0.00 N ATOM 197 CA TRP A 13 0.691 2.368 12.107 1.00 0.00 C ATOM 198 C TRP A 13 0.205 1.119 12.869 1.00 0.00 C ATOM 199 O TRP A 13 0.635 0.006 12.536 1.00 0.00 O ATOM 200 CB TRP A 13 2.163 2.683 12.468 1.00 0.00 C ATOM 201 CG TRP A 13 3.152 1.759 11.805 1.00 0.00 C ATOM 202 CD1 TRP A 13 3.962 0.869 12.423 1.00 0.00 C ATOM 203 CD2 TRP A 13 3.377 1.572 10.372 1.00 0.00 C ATOM 204 NE1 TRP A 13 4.657 0.132 11.488 1.00 0.00 N ATOM 205 CE2 TRP A 13 4.329 0.515 10.204 1.00 0.00 C ATOM 206 CE3 TRP A 13 2.885 2.192 9.197 1.00 0.00 C ATOM 207 CZ2 TRP A 13 4.718 0.056 8.932 1.00 0.00 C ATOM 208 CZ3 TRP A 13 3.342 1.797 7.917 1.00 0.00 C ATOM 209 CH2 TRP A 13 4.229 0.710 7.783 1.00 0.00 C ATOM 0 H TRP A 13 0.234 4.203 12.999 1.00 0.00 H new ATOM 0 HA TRP A 13 0.632 2.144 11.042 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.388 3.710 12.181 1.00 0.00 H new ATOM 0 HB3 TRP A 13 2.286 2.620 13.549 1.00 0.00 H new ATOM 0 HD1 TRP A 13 4.051 0.753 13.493 1.00 0.00 H new ATOM 0 HE1 TRP A 13 5.327 -0.602 11.716 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.150 2.979 9.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 5.384 -0.789 8.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 3.010 2.331 7.039 1.00 0.00 H new ATOM 0 HH2 TRP A 13 4.534 0.379 6.801 1.00 0.00 H new ATOM 220 N GLN A 14 -0.695 1.267 13.867 1.00 0.00 N ATOM 221 CA GLN A 14 -1.392 0.128 14.499 1.00 0.00 C ATOM 222 C GLN A 14 -2.398 -0.504 13.514 1.00 0.00 C ATOM 223 O GLN A 14 -2.375 -1.720 13.302 1.00 0.00 O ATOM 224 CB GLN A 14 -2.078 0.588 15.801 1.00 0.00 C ATOM 225 CG GLN A 14 -1.194 0.425 17.054 1.00 0.00 C ATOM 226 CD GLN A 14 -0.952 -1.025 17.499 1.00 0.00 C ATOM 227 OE1 GLN A 14 0.193 -1.473 17.522 1.00 0.00 O ATOM 228 NE2 GLN A 14 -2.002 -1.772 17.857 1.00 0.00 N ATOM 0 H GLN A 14 -0.956 2.174 14.254 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.664 -0.641 14.757 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.363 1.635 15.701 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.997 0.019 15.938 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.229 0.895 16.862 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.656 0.969 17.878 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.942 -1.377 17.829 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.863 -2.737 18.158 1.00 0.00 H new ATOM 237 N SER A 15 -3.270 0.318 12.898 1.00 0.00 N ATOM 238 CA SER A 15 -4.163 -0.068 11.790 1.00 0.00 C ATOM 239 C SER A 15 -3.391 -0.682 10.593 1.00 0.00 C ATOM 240 O SER A 15 -3.861 -1.623 9.954 1.00 0.00 O ATOM 241 CB SER A 15 -5.003 1.142 11.342 1.00 0.00 C ATOM 242 OG SER A 15 -6.006 1.469 12.284 1.00 0.00 O ATOM 0 H SER A 15 -3.375 1.297 13.166 1.00 0.00 H new ATOM 0 HA SER A 15 -4.829 -0.847 12.162 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.350 2.002 11.195 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.466 0.925 10.380 1.00 0.00 H new ATOM 0 HG SER A 15 -6.516 2.242 11.964 1.00 0.00 H new ATOM 248 N VAL A 16 -2.202 -0.108 10.305 1.00 0.00 N ATOM 249 CA VAL A 16 -1.380 -0.369 9.116 1.00 0.00 C ATOM 250 C VAL A 16 -0.408 -1.540 9.374 1.00 0.00 C ATOM 251 O VAL A 16 -0.022 -2.238 8.428 1.00 0.00 O ATOM 252 CB VAL A 16 -0.615 0.918 8.706 1.00 0.00 C ATOM 253 CG1 VAL A 16 0.700 0.602 7.970 1.00 0.00 C ATOM 254 CG2 VAL A 16 -1.454 1.833 7.794 1.00 0.00 C ATOM 0 H VAL A 16 -1.776 0.579 10.926 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.032 -0.656 8.291 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.402 1.430 9.644 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.200 1.533 7.703 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.349 0.015 8.620 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.483 0.034 7.065 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.874 2.719 7.535 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.720 1.295 6.884 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.362 2.133 8.316 1.00 0.00 H new ATOM 264 N LEU A 17 -0.009 -1.772 10.640 1.00 0.00 N ATOM 265 CA LEU A 17 0.712 -2.971 11.093 1.00 0.00 C ATOM 266 C LEU A 17 -0.225 -4.199 11.107 1.00 0.00 C ATOM 267 O LEU A 17 0.146 -5.278 10.644 1.00 0.00 O ATOM 268 CB LEU A 17 1.294 -2.750 12.506 1.00 0.00 C ATOM 269 CG LEU A 17 2.653 -2.021 12.552 1.00 0.00 C ATOM 270 CD1 LEU A 17 3.022 -1.728 14.015 1.00 0.00 C ATOM 271 CD2 LEU A 17 3.778 -2.848 11.908 1.00 0.00 C ATOM 0 H LEU A 17 -0.186 -1.109 11.395 1.00 0.00 H new ATOM 0 HA LEU A 17 1.528 -3.156 10.395 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.574 -2.179 13.093 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.404 -3.720 12.992 1.00 0.00 H new ATOM 0 HG LEU A 17 2.550 -1.096 11.984 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.982 -1.213 14.052 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.255 -1.098 14.465 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.092 -2.665 14.567 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.715 -2.294 11.964 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.884 -3.794 12.439 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.534 -3.043 10.864 1.00 0.00 H new ATOM 283 N ALA A 18 -1.443 -4.017 11.657 1.00 0.00 N ATOM 284 CA ALA A 18 -2.493 -5.036 11.783 1.00 0.00 C ATOM 285 C ALA A 18 -2.898 -5.575 10.390 1.00 0.00 C ATOM 286 O ALA A 18 -3.554 -6.611 10.284 1.00 0.00 O ATOM 287 CB ALA A 18 -3.714 -4.451 12.511 1.00 0.00 C ATOM 0 H ALA A 18 -1.729 -3.116 12.040 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.102 -5.868 12.370 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.486 -5.215 12.599 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.419 -4.117 13.506 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.104 -3.605 11.945 1.00 0.00 H new ATOM 293 N ARG A 19 -2.506 -4.836 9.330 1.00 0.00 N ATOM 294 CA ARG A 19 -2.631 -5.221 7.918 1.00 0.00 C ATOM 295 C ARG A 19 -4.107 -5.161 7.457 1.00 0.00 C ATOM 296 O ARG A 19 -4.516 -5.939 6.595 1.00 0.00 O ATOM 297 CB ARG A 19 -2.012 -6.614 7.684 1.00 0.00 C ATOM 298 CG ARG A 19 -0.515 -6.558 7.332 1.00 0.00 C ATOM 299 CD ARG A 19 0.071 -7.972 7.223 1.00 0.00 C ATOM 300 NE ARG A 19 1.444 -7.952 6.698 1.00 0.00 N ATOM 301 CZ ARG A 19 2.099 -9.006 6.174 1.00 0.00 C ATOM 302 NH1 ARG A 19 1.519 -10.214 6.080 1.00 0.00 N ATOM 303 NH2 ARG A 19 3.356 -8.848 5.735 1.00 0.00 N ATOM 0 H ARG A 19 -2.077 -3.918 9.445 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.076 -4.506 7.311 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.146 -7.220 8.580 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.550 -7.113 6.878 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.378 -6.029 6.389 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.022 -5.994 8.095 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.064 -8.446 8.205 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.559 -8.578 6.572 1.00 0.00 H new ATOM 0 HE ARG A 19 1.944 -7.063 6.734 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.563 -10.348 6.409 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.035 -10.998 5.679 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.808 -7.936 5.799 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.860 -9.640 5.337 1.00 0.00 H new ATOM 317 N ASP A 20 -4.891 -4.249 8.064 1.00 0.00 N ATOM 318 CA ASP A 20 -6.362 -4.246 8.062 1.00 0.00 C ATOM 319 C ASP A 20 -6.898 -3.919 6.646 1.00 0.00 C ATOM 320 O ASP A 20 -6.989 -2.739 6.300 1.00 0.00 O ATOM 321 CB ASP A 20 -6.875 -3.238 9.116 1.00 0.00 C ATOM 322 CG ASP A 20 -8.309 -2.762 8.856 1.00 0.00 C ATOM 323 OD1 ASP A 20 -9.141 -3.618 8.480 1.00 0.00 O ATOM 324 OD2 ASP A 20 -8.553 -1.550 9.044 1.00 0.00 O ATOM 0 H ASP A 20 -4.500 -3.466 8.588 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.732 -5.236 8.328 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.826 -3.699 10.103 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.211 -2.374 9.135 1.00 0.00 H new ATOM 329 N PRO A 21 -7.211 -4.927 5.796 1.00 0.00 N ATOM 330 CA PRO A 21 -7.382 -4.759 4.342 1.00 0.00 C ATOM 331 C PRO A 21 -8.554 -3.818 3.982 1.00 0.00 C ATOM 332 O PRO A 21 -8.669 -3.380 2.837 1.00 0.00 O ATOM 333 CB PRO A 21 -7.599 -6.167 3.765 1.00 0.00 C ATOM 334 CG PRO A 21 -7.058 -7.099 4.845 1.00 0.00 C ATOM 335 CD PRO A 21 -7.379 -6.336 6.132 1.00 0.00 C ATOM 0 HA PRO A 21 -6.499 -4.284 3.915 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.653 -6.358 3.565 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.067 -6.298 2.823 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.544 -8.075 4.820 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.988 -7.273 4.732 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.395 -6.542 6.468 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -6.710 -6.630 6.941 1.00 0.00 H new ATOM 343 N ASN A 22 -9.431 -3.530 4.962 1.00 0.00 N ATOM 344 CA ASN A 22 -10.768 -2.939 4.791 1.00 0.00 C ATOM 345 C ASN A 22 -10.788 -1.458 5.227 1.00 0.00 C ATOM 346 O ASN A 22 -11.862 -0.890 5.449 1.00 0.00 O ATOM 347 CB ASN A 22 -11.793 -3.750 5.615 1.00 0.00 C ATOM 348 CG ASN A 22 -13.244 -3.299 5.411 1.00 0.00 C ATOM 349 OD1 ASN A 22 -13.869 -3.630 4.406 1.00 0.00 O ATOM 350 ND2 ASN A 22 -13.787 -2.544 6.370 1.00 0.00 N ATOM 0 H ASN A 22 -9.214 -3.713 5.942 1.00 0.00 H new ATOM 0 HA ASN A 22 -11.031 -2.976 3.734 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.708 -4.803 5.348 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -11.542 -3.668 6.673 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -14.751 -2.223 6.282 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -13.238 -2.289 7.191 1.00 0.00 H new ATOM 357 N ALA A 23 -9.606 -0.820 5.335 1.00 0.00 N ATOM 358 CA ALA A 23 -9.433 0.620 5.582 1.00 0.00 C ATOM 359 C ALA A 23 -9.045 1.367 4.287 1.00 0.00 C ATOM 360 O ALA A 23 -8.514 2.477 4.347 1.00 0.00 O ATOM 361 CB ALA A 23 -8.373 0.834 6.674 1.00 0.00 C ATOM 0 H ALA A 23 -8.717 -1.312 5.249 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.383 1.031 5.923 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.247 1.902 6.855 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.695 0.346 7.594 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.424 0.407 6.349 1.00 0.00 H new ATOM 367 N ASP A 24 -9.335 0.764 3.118 1.00 0.00 N ATOM 368 CA ASP A 24 -9.378 1.425 1.805 1.00 0.00 C ATOM 369 C ASP A 24 -10.526 2.454 1.736 1.00 0.00 C ATOM 370 O ASP A 24 -11.682 2.113 1.994 1.00 0.00 O ATOM 371 CB ASP A 24 -9.508 0.351 0.701 1.00 0.00 C ATOM 372 CG ASP A 24 -10.811 0.459 -0.100 1.00 0.00 C ATOM 373 OD1 ASP A 24 -11.813 -0.141 0.348 1.00 0.00 O ATOM 374 OD2 ASP A 24 -10.786 1.146 -1.144 1.00 0.00 O ATOM 0 H ASP A 24 -9.553 -0.231 3.063 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.452 1.979 1.650 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.662 0.437 0.019 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.451 -0.637 1.157 1.00 0.00 H new ATOM 379 N GLY A 25 -10.202 3.716 1.395 1.00 0.00 N ATOM 380 CA GLY A 25 -11.095 4.880 1.477 1.00 0.00 C ATOM 381 C GLY A 25 -10.996 5.591 2.843 1.00 0.00 C ATOM 382 O GLY A 25 -11.296 6.783 2.945 1.00 0.00 O ATOM 0 H GLY A 25 -9.276 3.958 1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.846 5.584 0.683 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.123 4.560 1.309 1.00 0.00 H new ATOM 386 N GLU A 26 -10.595 4.854 3.896 1.00 0.00 N ATOM 387 CA GLU A 26 -10.429 5.346 5.274 1.00 0.00 C ATOM 388 C GLU A 26 -9.153 6.204 5.400 1.00 0.00 C ATOM 389 O GLU A 26 -9.141 7.197 6.130 1.00 0.00 O ATOM 390 CB GLU A 26 -10.403 4.154 6.257 1.00 0.00 C ATOM 391 CG GLU A 26 -11.041 4.500 7.616 1.00 0.00 C ATOM 392 CD GLU A 26 -12.555 4.266 7.680 1.00 0.00 C ATOM 393 OE1 GLU A 26 -13.040 3.316 7.026 1.00 0.00 O ATOM 394 OE2 GLU A 26 -13.211 5.055 8.398 1.00 0.00 O ATOM 0 H GLU A 26 -10.370 3.863 3.806 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.277 5.983 5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.932 3.310 5.815 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.372 3.837 6.413 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.560 3.905 8.392 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.837 5.546 7.844 1.00 0.00 H new ATOM 401 N PHE A 27 -8.070 5.827 4.683 1.00 0.00 N ATOM 402 CA PHE A 27 -6.863 6.648 4.504 1.00 0.00 C ATOM 403 C PHE A 27 -5.898 6.043 3.460 1.00 0.00 C ATOM 404 O PHE A 27 -6.173 5.003 2.860 1.00 0.00 O ATOM 405 CB PHE A 27 -6.130 6.828 5.853 1.00 0.00 C ATOM 406 CG PHE A 27 -5.812 5.563 6.640 1.00 0.00 C ATOM 407 CD1 PHE A 27 -6.708 4.470 6.675 1.00 0.00 C ATOM 408 CD2 PHE A 27 -4.586 5.475 7.347 1.00 0.00 C ATOM 409 CE1 PHE A 27 -6.382 3.302 7.395 1.00 0.00 C ATOM 410 CE2 PHE A 27 -4.256 4.301 8.056 1.00 0.00 C ATOM 411 CZ PHE A 27 -5.157 3.216 8.088 1.00 0.00 C ATOM 0 H PHE A 27 -8.015 4.927 4.206 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.187 7.620 4.132 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.194 7.353 5.663 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.737 7.477 6.485 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.648 4.530 6.147 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.902 6.311 7.343 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.072 2.472 7.416 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.312 4.233 8.575 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.909 2.322 8.642 1.00 0.00 H new ATOM 421 N VAL A 28 -4.735 6.711 3.270 1.00 0.00 N ATOM 422 CA VAL A 28 -3.523 6.173 2.635 1.00 0.00 C ATOM 423 C VAL A 28 -2.288 6.494 3.505 1.00 0.00 C ATOM 424 O VAL A 28 -2.392 7.232 4.486 1.00 0.00 O ATOM 425 CB VAL A 28 -3.351 6.728 1.193 1.00 0.00 C ATOM 426 CG1 VAL A 28 -4.705 6.835 0.462 1.00 0.00 C ATOM 427 CG2 VAL A 28 -2.665 8.108 1.155 1.00 0.00 C ATOM 0 H VAL A 28 -4.618 7.679 3.570 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.623 5.090 2.556 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.708 6.009 0.685 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.546 7.226 -0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.163 5.848 0.399 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.364 7.506 1.013 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.574 8.441 0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.262 8.827 1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.673 8.034 1.601 1.00 0.00 H new ATOM 437 N PHE A 29 -1.115 5.930 3.146 1.00 0.00 N ATOM 438 CA PHE A 29 0.193 6.269 3.728 1.00 0.00 C ATOM 439 C PHE A 29 1.290 6.321 2.640 1.00 0.00 C ATOM 440 O PHE A 29 1.152 5.698 1.587 1.00 0.00 O ATOM 441 CB PHE A 29 0.577 5.258 4.829 1.00 0.00 C ATOM 442 CG PHE A 29 0.941 3.854 4.360 1.00 0.00 C ATOM 443 CD1 PHE A 29 1.993 3.653 3.438 1.00 0.00 C ATOM 444 CD2 PHE A 29 0.244 2.733 4.875 1.00 0.00 C ATOM 445 CE1 PHE A 29 2.407 2.345 3.106 1.00 0.00 C ATOM 446 CE2 PHE A 29 0.677 1.426 4.566 1.00 0.00 C ATOM 447 CZ PHE A 29 1.737 1.232 3.654 1.00 0.00 C ATOM 0 H PHE A 29 -1.054 5.210 2.426 1.00 0.00 H new ATOM 0 HA PHE A 29 0.112 7.259 4.177 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.423 5.663 5.385 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.256 5.180 5.527 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.482 4.503 2.986 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.621 2.879 5.505 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.238 2.197 2.432 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.198 0.575 5.027 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.035 0.232 3.376 1.00 0.00 H new ATOM 457 N ALA A 30 2.368 7.090 2.898 1.00 0.00 N ATOM 458 CA ALA A 30 3.346 7.567 1.910 1.00 0.00 C ATOM 459 C ALA A 30 4.798 7.362 2.396 1.00 0.00 C ATOM 460 O ALA A 30 5.264 8.105 3.266 1.00 0.00 O ATOM 461 CB ALA A 30 3.091 9.053 1.605 1.00 0.00 C ATOM 0 H ALA A 30 2.586 7.407 3.843 1.00 0.00 H new ATOM 0 HA ALA A 30 3.221 6.980 1.000 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.818 9.404 0.872 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.084 9.175 1.205 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.190 9.635 2.521 1.00 0.00 H new ATOM 467 N VAL A 31 5.522 6.381 1.825 1.00 0.00 N ATOM 468 CA VAL A 31 6.942 6.108 2.094 1.00 0.00 C ATOM 469 C VAL A 31 7.831 7.035 1.236 1.00 0.00 C ATOM 470 O VAL A 31 7.900 6.874 0.017 1.00 0.00 O ATOM 471 CB VAL A 31 7.262 4.614 1.823 1.00 0.00 C ATOM 472 CG1 VAL A 31 8.770 4.318 1.923 1.00 0.00 C ATOM 473 CG2 VAL A 31 6.533 3.670 2.796 1.00 0.00 C ATOM 0 H VAL A 31 5.120 5.738 1.143 1.00 0.00 H new ATOM 0 HA VAL A 31 7.153 6.312 3.144 1.00 0.00 H new ATOM 0 HB VAL A 31 6.913 4.431 0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.947 3.261 1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.308 4.919 1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.124 4.565 2.924 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.791 2.637 2.563 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.835 3.898 3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.456 3.806 2.697 1.00 0.00 H new ATOM 483 N ARG A 32 8.518 7.998 1.880 1.00 0.00 N ATOM 484 CA ARG A 32 9.251 9.100 1.240 1.00 0.00 C ATOM 485 C ARG A 32 10.509 8.587 0.507 1.00 0.00 C ATOM 486 O ARG A 32 11.032 9.272 -0.377 1.00 0.00 O ATOM 487 CB ARG A 32 9.611 10.156 2.304 1.00 0.00 C ATOM 488 CG ARG A 32 11.124 10.241 2.564 1.00 0.00 C ATOM 489 CD ARG A 32 11.461 9.993 4.042 1.00 0.00 C ATOM 490 NE ARG A 32 12.820 9.449 4.186 1.00 0.00 N ATOM 491 CZ ARG A 32 13.920 10.149 4.518 1.00 0.00 C ATOM 492 NH1 ARG A 32 13.866 11.471 4.748 1.00 0.00 N ATOM 493 NH2 ARG A 32 15.097 9.515 4.623 1.00 0.00 N ATOM 0 H ARG A 32 8.578 8.028 2.898 1.00 0.00 H new ATOM 0 HA ARG A 32 8.613 9.560 0.485 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.246 11.131 1.981 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.099 9.917 3.236 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.641 9.508 1.945 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.490 11.224 2.267 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.377 10.926 4.600 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.739 9.298 4.472 1.00 0.00 H new ATOM 0 HE ARG A 32 12.939 8.450 4.019 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.977 11.966 4.672 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.714 11.980 4.998 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.153 8.511 4.452 1.00 0.00 H new ATOM 0 HH22 ARG A 32 15.937 10.037 4.874 1.00 0.00 H new ATOM 507 N THR A 33 11.002 7.390 0.877 1.00 0.00 N ATOM 508 CA THR A 33 12.312 6.848 0.486 1.00 0.00 C ATOM 509 C THR A 33 12.194 6.008 -0.804 1.00 0.00 C ATOM 510 O THR A 33 13.173 5.861 -1.539 1.00 0.00 O ATOM 511 CB THR A 33 12.904 6.014 1.649 1.00 0.00 C ATOM 512 OG1 THR A 33 14.262 5.704 1.391 1.00 0.00 O ATOM 513 CG2 THR A 33 12.155 4.691 1.886 1.00 0.00 C ATOM 0 H THR A 33 10.479 6.753 1.478 1.00 0.00 H new ATOM 0 HA THR A 33 12.990 7.675 0.276 1.00 0.00 H new ATOM 0 HB THR A 33 12.801 6.632 2.541 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.624 5.178 2.134 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.618 4.154 2.713 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.113 4.901 2.128 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.202 4.080 0.985 1.00 0.00 H new ATOM 521 N THR A 34 10.992 5.469 -1.084 1.00 0.00 N ATOM 522 CA THR A 34 10.641 4.754 -2.320 1.00 0.00 C ATOM 523 C THR A 34 9.847 5.670 -3.278 1.00 0.00 C ATOM 524 O THR A 34 9.814 5.421 -4.485 1.00 0.00 O ATOM 525 CB THR A 34 9.841 3.472 -1.979 1.00 0.00 C ATOM 526 OG1 THR A 34 9.911 2.550 -3.051 1.00 0.00 O ATOM 527 CG2 THR A 34 8.356 3.746 -1.686 1.00 0.00 C ATOM 0 H THR A 34 10.212 5.523 -0.429 1.00 0.00 H new ATOM 0 HA THR A 34 11.559 4.462 -2.831 1.00 0.00 H new ATOM 0 HB THR A 34 10.299 3.066 -1.077 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.543 1.688 -2.766 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.852 2.808 -1.454 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.272 4.423 -0.836 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.891 4.202 -2.560 1.00 0.00 H new ATOM 535 N GLY A 35 9.200 6.719 -2.737 1.00 0.00 N ATOM 536 CA GLY A 35 8.309 7.639 -3.458 1.00 0.00 C ATOM 537 C GLY A 35 7.038 6.931 -3.971 1.00 0.00 C ATOM 538 O GLY A 35 6.541 7.250 -5.053 1.00 0.00 O ATOM 0 H GLY A 35 9.289 6.955 -1.749 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.026 8.460 -2.799 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.845 8.077 -4.300 1.00 0.00 H new ATOM 542 N ILE A 36 6.516 5.962 -3.193 1.00 0.00 N ATOM 543 CA ILE A 36 5.228 5.287 -3.400 1.00 0.00 C ATOM 544 C ILE A 36 4.264 5.609 -2.235 1.00 0.00 C ATOM 545 O ILE A 36 4.703 5.962 -1.139 1.00 0.00 O ATOM 546 CB ILE A 36 5.443 3.753 -3.535 1.00 0.00 C ATOM 547 CG1 ILE A 36 6.681 3.390 -4.394 1.00 0.00 C ATOM 548 CG2 ILE A 36 4.189 3.078 -4.126 1.00 0.00 C ATOM 549 CD1 ILE A 36 7.064 1.904 -4.327 1.00 0.00 C ATOM 0 H ILE A 36 7.006 5.616 -2.368 1.00 0.00 H new ATOM 0 HA ILE A 36 4.780 5.652 -4.324 1.00 0.00 H new ATOM 0 HB ILE A 36 5.624 3.380 -2.527 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.484 3.659 -5.432 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.529 3.990 -4.065 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.360 2.005 -4.212 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.336 3.258 -3.471 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.983 3.493 -5.113 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.938 1.725 -4.953 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.294 1.634 -3.296 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.232 1.297 -4.684 1.00 0.00 H new ATOM 561 N PHE A 37 2.946 5.461 -2.480 1.00 0.00 N ATOM 562 CA PHE A 37 1.872 5.459 -1.477 1.00 0.00 C ATOM 563 C PHE A 37 0.957 4.225 -1.646 1.00 0.00 C ATOM 564 O PHE A 37 0.767 3.737 -2.761 1.00 0.00 O ATOM 565 CB PHE A 37 1.044 6.755 -1.586 1.00 0.00 C ATOM 566 CG PHE A 37 0.274 6.930 -2.888 1.00 0.00 C ATOM 567 CD1 PHE A 37 0.897 7.517 -4.013 1.00 0.00 C ATOM 568 CD2 PHE A 37 -1.072 6.501 -2.981 1.00 0.00 C ATOM 569 CE1 PHE A 37 0.158 7.745 -5.195 1.00 0.00 C ATOM 570 CE2 PHE A 37 -1.796 6.694 -4.176 1.00 0.00 C ATOM 571 CZ PHE A 37 -1.185 7.326 -5.279 1.00 0.00 C ATOM 0 H PHE A 37 2.590 5.334 -3.427 1.00 0.00 H new ATOM 0 HA PHE A 37 2.328 5.409 -0.488 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.336 6.784 -0.758 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.714 7.606 -1.463 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.941 7.792 -3.969 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.545 6.025 -2.135 1.00 0.00 H new ATOM 0 HE1 PHE A 37 0.622 8.241 -6.035 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -2.820 6.357 -4.247 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.746 7.489 -6.187 1.00 0.00 H new ATOM 581 N CYS A 38 0.397 3.722 -0.529 1.00 0.00 N ATOM 582 CA CYS A 38 -0.377 2.481 -0.404 1.00 0.00 C ATOM 583 C CYS A 38 -1.709 2.717 0.350 1.00 0.00 C ATOM 584 O CYS A 38 -1.976 3.819 0.830 1.00 0.00 O ATOM 585 CB CYS A 38 0.471 1.419 0.335 1.00 0.00 C ATOM 586 SG CYS A 38 2.052 1.066 -0.488 1.00 0.00 S ATOM 0 H CYS A 38 0.481 4.206 0.365 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.622 2.127 -1.405 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.666 1.762 1.351 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -0.104 0.496 0.415 1.00 0.00 H new ATOM 0 HG CYS A 38 2.506 -0.083 -0.082 1.00 0.00 H new ATOM 591 N ARG A 39 -2.511 1.644 0.485 1.00 0.00 N ATOM 592 CA ARG A 39 -3.557 1.461 1.500 1.00 0.00 C ATOM 593 C ARG A 39 -2.916 0.896 2.795 1.00 0.00 C ATOM 594 O ARG A 39 -1.835 0.291 2.692 1.00 0.00 O ATOM 595 CB ARG A 39 -4.628 0.496 0.938 1.00 0.00 C ATOM 596 CG ARG A 39 -5.584 -0.050 2.006 1.00 0.00 C ATOM 597 CD ARG A 39 -6.537 -1.143 1.519 1.00 0.00 C ATOM 598 NE ARG A 39 -6.441 -1.294 0.059 1.00 0.00 N ATOM 599 CZ ARG A 39 -6.524 -2.447 -0.629 1.00 0.00 C ATOM 600 NH1 ARG A 39 -6.710 -3.621 -0.005 1.00 0.00 N ATOM 601 NH2 ARG A 39 -6.420 -2.416 -1.966 1.00 0.00 N ATOM 0 H ARG A 39 -2.441 0.844 -0.144 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.034 2.411 1.742 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.208 1.015 0.175 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.130 -0.340 0.447 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.994 -0.445 2.833 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.174 0.777 2.401 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.295 -2.088 2.005 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.560 -0.893 1.799 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.298 -0.443 -0.484 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.791 -3.651 1.011 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.770 -4.483 -0.547 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.280 -1.527 -2.446 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.481 -3.281 -2.502 1.00 0.00 H new ATOM 615 N PRO A 40 -3.516 1.023 3.998 1.00 0.00 N ATOM 616 CA PRO A 40 -3.022 0.418 5.250 1.00 0.00 C ATOM 617 C PRO A 40 -2.464 -1.018 5.127 1.00 0.00 C ATOM 618 O PRO A 40 -1.643 -1.435 5.946 1.00 0.00 O ATOM 619 CB PRO A 40 -4.208 0.474 6.235 1.00 0.00 C ATOM 620 CG PRO A 40 -5.417 0.861 5.384 1.00 0.00 C ATOM 621 CD PRO A 40 -4.769 1.711 4.286 1.00 0.00 C ATOM 0 HA PRO A 40 -2.153 0.983 5.589 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.361 -0.489 6.722 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.031 1.205 7.023 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.927 -0.012 4.977 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.155 1.424 5.955 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.403 1.771 3.402 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.595 2.733 4.623 1.00 0.00 H new ATOM 629 N SER A 41 -2.934 -1.777 4.121 1.00 0.00 N ATOM 630 CA SER A 41 -2.872 -3.244 4.033 1.00 0.00 C ATOM 631 C SER A 41 -1.574 -3.756 3.379 1.00 0.00 C ATOM 632 O SER A 41 -1.545 -4.909 2.909 1.00 0.00 O ATOM 633 CB SER A 41 -4.111 -3.753 3.258 1.00 0.00 C ATOM 634 OG SER A 41 -4.333 -5.129 3.486 1.00 0.00 O ATOM 0 H SER A 41 -3.389 -1.362 3.308 1.00 0.00 H new ATOM 0 HA SER A 41 -2.871 -3.639 5.049 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.991 -3.186 3.563 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.972 -3.577 2.191 1.00 0.00 H new ATOM 0 HG SER A 41 -3.493 -5.620 3.369 1.00 0.00 H new ATOM 640 N CYS A 42 -0.495 -2.944 3.297 1.00 0.00 N ATOM 641 CA CYS A 42 0.653 -3.199 2.403 1.00 0.00 C ATOM 642 C CYS A 42 1.427 -4.457 2.863 1.00 0.00 C ATOM 643 O CYS A 42 2.318 -4.371 3.708 1.00 0.00 O ATOM 644 CB CYS A 42 1.564 -1.958 2.319 1.00 0.00 C ATOM 645 SG CYS A 42 2.705 -2.025 0.893 1.00 0.00 S ATOM 0 H CYS A 42 -0.398 -2.093 3.851 1.00 0.00 H new ATOM 0 HA CYS A 42 0.281 -3.394 1.397 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.947 -1.062 2.245 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.142 -1.872 3.239 1.00 0.00 H new ATOM 0 HG CYS A 42 2.020 -2.131 -0.207 1.00 0.00 H new ATOM 650 N ARG A 43 1.057 -5.629 2.306 1.00 0.00 N ATOM 651 CA ARG A 43 1.399 -6.971 2.798 1.00 0.00 C ATOM 652 C ARG A 43 2.867 -7.323 2.476 1.00 0.00 C ATOM 653 O ARG A 43 3.452 -8.195 3.120 1.00 0.00 O ATOM 654 CB ARG A 43 0.422 -8.003 2.193 1.00 0.00 C ATOM 655 CG ARG A 43 1.004 -8.725 0.966 1.00 0.00 C ATOM 656 CD ARG A 43 0.006 -9.724 0.362 1.00 0.00 C ATOM 657 NE ARG A 43 0.581 -10.398 -0.813 1.00 0.00 N ATOM 658 CZ ARG A 43 0.184 -11.580 -1.320 1.00 0.00 C ATOM 659 NH1 ARG A 43 -0.808 -12.286 -0.755 1.00 0.00 N ATOM 660 NH2 ARG A 43 0.790 -12.064 -2.414 1.00 0.00 N ATOM 0 H ARG A 43 0.485 -5.662 1.462 1.00 0.00 H new ATOM 0 HA ARG A 43 1.299 -6.991 3.883 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.162 -8.740 2.953 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.502 -7.499 1.908 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.284 -7.990 0.211 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.915 -9.250 1.252 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.271 -10.465 1.112 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.908 -9.203 0.076 1.00 0.00 H new ATOM 0 HE ARG A 43 1.351 -9.926 -1.287 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.278 -11.929 0.077 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.091 -13.179 -1.157 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.544 -11.537 -2.854 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.496 -12.959 -2.806 1.00 0.00 H new ATOM 674 N ALA A 44 3.464 -6.625 1.491 1.00 0.00 N ATOM 675 CA ALA A 44 4.914 -6.556 1.256 1.00 0.00 C ATOM 676 C ALA A 44 5.654 -6.033 2.506 1.00 0.00 C ATOM 677 O ALA A 44 5.088 -5.258 3.280 1.00 0.00 O ATOM 678 CB ALA A 44 5.201 -5.660 0.041 1.00 0.00 C ATOM 0 H ALA A 44 2.930 -6.077 0.816 1.00 0.00 H new ATOM 0 HA ALA A 44 5.282 -7.561 1.051 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.276 -5.612 -0.129 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.712 -6.075 -0.841 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.818 -4.657 0.230 1.00 0.00 H new ATOM 684 N ARG A 45 6.911 -6.474 2.708 1.00 0.00 N ATOM 685 CA ARG A 45 7.730 -6.212 3.899 1.00 0.00 C ATOM 686 C ARG A 45 7.616 -4.736 4.338 1.00 0.00 C ATOM 687 O ARG A 45 8.139 -3.847 3.664 1.00 0.00 O ATOM 688 CB ARG A 45 9.194 -6.604 3.607 1.00 0.00 C ATOM 689 CG ARG A 45 10.203 -5.769 4.412 1.00 0.00 C ATOM 690 CD ARG A 45 9.852 -5.731 5.906 1.00 0.00 C ATOM 691 NE ARG A 45 10.407 -6.899 6.606 1.00 0.00 N ATOM 692 CZ ARG A 45 10.909 -6.907 7.855 1.00 0.00 C ATOM 693 NH1 ARG A 45 10.952 -5.789 8.598 1.00 0.00 N ATOM 694 NH2 ARG A 45 11.376 -8.053 8.370 1.00 0.00 N ATOM 0 H ARG A 45 7.399 -7.044 2.017 1.00 0.00 H new ATOM 0 HA ARG A 45 7.363 -6.818 4.727 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.336 -7.660 3.838 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.394 -6.481 2.543 1.00 0.00 H new ATOM 0 HG2 ARG A 45 11.202 -6.185 4.284 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.228 -4.753 4.019 1.00 0.00 H new ATOM 0 HD2 ARG A 45 10.242 -4.816 6.352 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.769 -5.709 6.029 1.00 0.00 H new ATOM 0 HE ARG A 45 10.412 -7.784 6.099 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.600 -4.910 8.218 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.337 -5.819 9.542 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.349 -8.909 7.816 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.758 -8.069 9.316 1.00 0.00 H new ATOM 708 N HIS A 46 6.915 -4.481 5.460 1.00 0.00 N ATOM 709 CA HIS A 46 6.615 -3.146 5.997 1.00 0.00 C ATOM 710 C HIS A 46 7.844 -2.214 5.909 1.00 0.00 C ATOM 711 O HIS A 46 8.885 -2.505 6.500 1.00 0.00 O ATOM 712 CB HIS A 46 6.092 -3.253 7.450 1.00 0.00 C ATOM 713 CG HIS A 46 4.629 -3.609 7.553 1.00 0.00 C ATOM 714 ND1 HIS A 46 4.074 -4.047 8.759 1.00 0.00 N ATOM 715 CD2 HIS A 46 3.643 -3.567 6.602 1.00 0.00 C ATOM 716 CE1 HIS A 46 2.781 -4.242 8.489 1.00 0.00 C ATOM 717 NE2 HIS A 46 2.471 -3.968 7.210 1.00 0.00 N ATOM 0 H HIS A 46 6.529 -5.229 6.036 1.00 0.00 H new ATOM 0 HA HIS A 46 5.830 -2.702 5.385 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.676 -4.005 7.981 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.260 -2.303 7.956 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.761 -3.275 5.569 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.062 -4.583 9.219 1.00 0.00 H new ATOM 0 HE2 HIS A 46 1.551 -4.042 6.775 1.00 0.00 H new ATOM 725 N ALA A 47 7.708 -1.082 5.192 1.00 0.00 N ATOM 726 CA ALA A 47 8.597 0.086 5.270 1.00 0.00 C ATOM 727 C ALA A 47 8.254 0.960 6.498 1.00 0.00 C ATOM 728 O ALA A 47 7.111 1.398 6.641 1.00 0.00 O ATOM 729 CB ALA A 47 8.497 0.907 3.975 1.00 0.00 C ATOM 0 H ALA A 47 6.950 -0.954 4.521 1.00 0.00 H new ATOM 0 HA ALA A 47 9.622 -0.265 5.387 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.158 1.771 4.040 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.791 0.288 3.128 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.470 1.246 3.837 1.00 0.00 H new ATOM 735 N LEU A 48 9.243 1.185 7.385 1.00 0.00 N ATOM 736 CA LEU A 48 9.076 1.684 8.757 1.00 0.00 C ATOM 737 C LEU A 48 8.075 2.859 8.797 1.00 0.00 C ATOM 738 O LEU A 48 7.997 3.642 7.849 1.00 0.00 O ATOM 739 CB LEU A 48 10.439 2.137 9.323 1.00 0.00 C ATOM 740 CG LEU A 48 11.397 1.000 9.741 1.00 0.00 C ATOM 741 CD1 LEU A 48 12.588 1.597 10.507 1.00 0.00 C ATOM 742 CD2 LEU A 48 10.705 -0.048 10.628 1.00 0.00 C ATOM 0 H LEU A 48 10.221 1.015 7.151 1.00 0.00 H new ATOM 0 HA LEU A 48 8.681 0.874 9.370 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.938 2.751 8.573 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.259 2.774 10.189 1.00 0.00 H new ATOM 0 HG LEU A 48 11.731 0.500 8.832 1.00 0.00 H new ATOM 0 HD11 LEU A 48 13.267 0.798 10.804 1.00 0.00 H new ATOM 0 HD12 LEU A 48 13.116 2.302 9.866 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.227 2.115 11.395 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.419 -0.827 10.896 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.333 0.431 11.534 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.871 -0.492 10.084 1.00 0.00 H new ATOM 754 N ARG A 49 7.297 2.968 9.892 1.00 0.00 N ATOM 755 CA ARG A 49 6.459 4.127 10.230 1.00 0.00 C ATOM 756 C ARG A 49 7.259 5.443 10.110 1.00 0.00 C ATOM 757 O ARG A 49 6.704 6.484 9.759 1.00 0.00 O ATOM 758 CB ARG A 49 5.884 3.947 11.650 1.00 0.00 C ATOM 759 CG ARG A 49 5.084 5.170 12.125 1.00 0.00 C ATOM 760 CD ARG A 49 5.989 6.211 12.797 1.00 0.00 C ATOM 761 NE ARG A 49 6.002 6.031 14.256 1.00 0.00 N ATOM 762 CZ ARG A 49 6.980 5.447 14.973 1.00 0.00 C ATOM 763 NH1 ARG A 49 8.073 4.938 14.382 1.00 0.00 N ATOM 764 NH2 ARG A 49 6.860 5.369 16.306 1.00 0.00 N ATOM 0 H ARG A 49 7.235 2.224 10.587 1.00 0.00 H new ATOM 0 HA ARG A 49 5.633 4.189 9.522 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.240 3.067 11.668 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.701 3.759 12.347 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.574 5.624 11.275 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.313 4.851 12.826 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.003 6.123 12.407 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.639 7.214 12.553 1.00 0.00 H new ATOM 0 HE ARG A 49 5.195 6.381 14.773 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.175 4.989 13.368 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.801 4.500 14.947 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.034 5.750 16.767 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.595 4.929 16.859 1.00 0.00 H new ATOM 778 N GLU A 50 8.572 5.387 10.428 1.00 0.00 N ATOM 779 CA GLU A 50 9.460 6.537 10.600 1.00 0.00 C ATOM 780 C GLU A 50 9.804 7.205 9.258 1.00 0.00 C ATOM 781 O GLU A 50 10.310 8.329 9.227 1.00 0.00 O ATOM 782 CB GLU A 50 10.742 6.076 11.319 1.00 0.00 C ATOM 783 CG GLU A 50 11.637 7.260 11.703 1.00 0.00 C ATOM 784 CD GLU A 50 11.386 7.807 13.117 1.00 0.00 C ATOM 785 OE1 GLU A 50 10.336 8.467 13.280 1.00 0.00 O ATOM 786 OE2 GLU A 50 12.232 7.562 14.006 1.00 0.00 O ATOM 0 H GLU A 50 9.052 4.499 10.576 1.00 0.00 H new ATOM 0 HA GLU A 50 8.944 7.285 11.202 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.475 5.517 12.216 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.297 5.396 10.673 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.680 6.953 11.624 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.486 8.064 10.983 1.00 0.00 H new ATOM 793 N ASN A 51 9.540 6.503 8.136 1.00 0.00 N ATOM 794 CA ASN A 51 9.663 6.986 6.754 1.00 0.00 C ATOM 795 C ASN A 51 8.277 7.299 6.148 1.00 0.00 C ATOM 796 O ASN A 51 8.183 8.038 5.166 1.00 0.00 O ATOM 797 CB ASN A 51 10.386 5.926 5.897 1.00 0.00 C ATOM 798 CG ASN A 51 11.710 5.439 6.508 1.00 0.00 C ATOM 799 OD1 ASN A 51 12.545 6.231 6.935 1.00 0.00 O ATOM 800 ND2 ASN A 51 11.886 4.112 6.556 1.00 0.00 N ATOM 0 H ASN A 51 9.219 5.536 8.177 1.00 0.00 H new ATOM 0 HA ASN A 51 10.244 7.908 6.762 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.724 5.071 5.757 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.583 6.342 4.909 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.739 3.725 6.959 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.167 3.489 6.190 1.00 0.00 H new ATOM 807 N VAL A 52 7.208 6.718 6.725 1.00 0.00 N ATOM 808 CA VAL A 52 5.835 6.734 6.198 1.00 0.00 C ATOM 809 C VAL A 52 5.022 7.860 6.872 1.00 0.00 C ATOM 810 O VAL A 52 5.194 8.119 8.066 1.00 0.00 O ATOM 811 CB VAL A 52 5.168 5.350 6.411 1.00 0.00 C ATOM 812 CG1 VAL A 52 4.048 5.406 7.467 1.00 0.00 C ATOM 813 CG2 VAL A 52 4.562 4.782 5.115 1.00 0.00 C ATOM 0 H VAL A 52 7.282 6.206 7.604 1.00 0.00 H new ATOM 0 HA VAL A 52 5.862 6.934 5.127 1.00 0.00 H new ATOM 0 HB VAL A 52 5.972 4.698 6.753 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.609 4.415 7.584 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.463 5.734 8.420 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.279 6.108 7.145 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.108 3.812 5.320 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.802 5.466 4.738 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.347 4.665 4.367 1.00 0.00 H new ATOM 823 N SER A 53 4.129 8.524 6.112 1.00 0.00 N ATOM 824 CA SER A 53 3.139 9.490 6.607 1.00 0.00 C ATOM 825 C SER A 53 1.766 9.305 5.920 1.00 0.00 C ATOM 826 O SER A 53 1.694 8.755 4.822 1.00 0.00 O ATOM 827 CB SER A 53 3.658 10.926 6.410 1.00 0.00 C ATOM 828 OG SER A 53 3.284 11.443 5.147 1.00 0.00 O ATOM 0 H SER A 53 4.079 8.395 5.101 1.00 0.00 H new ATOM 0 HA SER A 53 2.995 9.308 7.672 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.264 11.568 7.198 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.744 10.938 6.502 1.00 0.00 H new ATOM 0 HG SER A 53 3.627 12.356 5.053 1.00 0.00 H new ATOM 834 N PHE A 54 0.689 9.751 6.598 1.00 0.00 N ATOM 835 CA PHE A 54 -0.703 9.339 6.363 1.00 0.00 C ATOM 836 C PHE A 54 -1.574 10.489 5.803 1.00 0.00 C ATOM 837 O PHE A 54 -1.595 11.598 6.337 1.00 0.00 O ATOM 838 CB PHE A 54 -1.310 8.807 7.680 1.00 0.00 C ATOM 839 CG PHE A 54 -0.495 7.715 8.364 1.00 0.00 C ATOM 840 CD1 PHE A 54 -0.596 6.375 7.926 1.00 0.00 C ATOM 841 CD2 PHE A 54 0.393 8.042 9.416 1.00 0.00 C ATOM 842 CE1 PHE A 54 0.236 5.382 8.486 1.00 0.00 C ATOM 843 CE2 PHE A 54 1.257 7.057 9.944 1.00 0.00 C ATOM 844 CZ PHE A 54 1.155 5.721 9.501 1.00 0.00 C ATOM 0 H PHE A 54 0.772 10.433 7.352 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.692 8.552 5.609 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.428 9.641 8.372 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.308 8.421 7.474 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.311 6.110 7.161 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.410 9.045 9.816 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.169 4.362 8.137 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.995 7.326 10.686 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.781 4.958 9.939 1.00 0.00 H new ATOM 854 N TYR A 55 -2.315 10.204 4.715 1.00 0.00 N ATOM 855 CA TYR A 55 -3.308 11.034 4.025 1.00 0.00 C ATOM 856 C TYR A 55 -4.751 10.527 4.273 1.00 0.00 C ATOM 857 O TYR A 55 -4.973 9.530 4.958 1.00 0.00 O ATOM 858 CB TYR A 55 -3.032 11.017 2.502 1.00 0.00 C ATOM 859 CG TYR A 55 -1.589 11.287 2.103 1.00 0.00 C ATOM 860 CD1 TYR A 55 -1.089 12.614 2.164 1.00 0.00 C ATOM 861 CD2 TYR A 55 -0.732 10.244 1.686 1.00 0.00 C ATOM 862 CE1 TYR A 55 0.263 12.880 1.863 1.00 0.00 C ATOM 863 CE2 TYR A 55 0.619 10.511 1.386 1.00 0.00 C ATOM 864 CZ TYR A 55 1.123 11.827 1.486 1.00 0.00 C ATOM 865 OH TYR A 55 2.437 12.081 1.216 1.00 0.00 O ATOM 0 H TYR A 55 -2.220 9.298 4.257 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.223 12.046 4.421 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.326 10.045 2.106 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.670 11.761 2.025 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.747 13.424 2.442 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.114 9.238 1.597 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.640 13.890 1.921 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.271 9.707 1.079 1.00 0.00 H new ATOM 0 HH TYR A 55 2.757 11.456 0.532 1.00 0.00 H new ATOM 875 N ALA A 56 -5.727 11.241 3.661 1.00 0.00 N ATOM 876 CA ALA A 56 -7.123 10.822 3.490 1.00 0.00 C ATOM 877 C ALA A 56 -7.291 9.895 2.265 1.00 0.00 C ATOM 878 O ALA A 56 -8.110 8.972 2.298 1.00 0.00 O ATOM 879 CB ALA A 56 -8.024 12.060 3.353 1.00 0.00 C ATOM 0 H ALA A 56 -5.546 12.161 3.260 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.419 10.256 4.373 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.060 11.744 3.226 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.939 12.673 4.250 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.713 12.642 2.485 1.00 0.00 H new ATOM 885 N ASN A 57 -6.535 10.145 1.176 1.00 0.00 N ATOM 886 CA ASN A 57 -6.632 9.432 -0.104 1.00 0.00 C ATOM 887 C ASN A 57 -5.353 9.606 -0.959 1.00 0.00 C ATOM 888 O ASN A 57 -4.392 10.255 -0.548 1.00 0.00 O ATOM 889 CB ASN A 57 -7.856 9.939 -0.898 1.00 0.00 C ATOM 890 CG ASN A 57 -7.632 11.309 -1.548 1.00 0.00 C ATOM 891 OD1 ASN A 57 -7.258 11.395 -2.717 1.00 0.00 O ATOM 892 ND2 ASN A 57 -7.858 12.388 -0.794 1.00 0.00 N ATOM 0 H ASN A 57 -5.820 10.872 1.168 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.746 8.371 0.119 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.104 9.213 -1.673 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -8.715 9.998 -0.230 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.721 13.320 -1.184 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.168 12.280 0.172 1.00 0.00 H new ATOM 899 N ALA A 58 -5.363 8.989 -2.162 1.00 0.00 N ATOM 900 CA ALA A 58 -4.208 8.773 -3.042 1.00 0.00 C ATOM 901 C ALA A 58 -3.840 10.049 -3.829 1.00 0.00 C ATOM 902 O ALA A 58 -2.697 10.189 -4.274 1.00 0.00 O ATOM 903 CB ALA A 58 -4.511 7.616 -4.011 1.00 0.00 C ATOM 0 H ALA A 58 -6.223 8.612 -2.559 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.350 8.517 -2.420 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.654 7.455 -4.665 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.709 6.708 -3.442 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.385 7.865 -4.613 1.00 0.00 H new ATOM 909 N SER A 59 -4.806 10.965 -4.025 1.00 0.00 N ATOM 910 CA SER A 59 -4.628 12.286 -4.652 1.00 0.00 C ATOM 911 C SER A 59 -3.850 13.264 -3.746 1.00 0.00 C ATOM 912 O SER A 59 -3.119 14.121 -4.247 1.00 0.00 O ATOM 913 CB SER A 59 -5.999 12.869 -5.048 1.00 0.00 C ATOM 914 OG SER A 59 -6.025 14.277 -4.926 1.00 0.00 O ATOM 0 H SER A 59 -5.771 10.798 -3.739 1.00 0.00 H new ATOM 0 HA SER A 59 -4.026 12.149 -5.550 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.230 12.589 -6.076 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.775 12.435 -4.417 1.00 0.00 H new ATOM 0 HG SER A 59 -6.908 14.612 -5.187 1.00 0.00 H new ATOM 920 N GLU A 60 -3.994 13.121 -2.417 1.00 0.00 N ATOM 921 CA GLU A 60 -3.146 13.747 -1.386 1.00 0.00 C ATOM 922 C GLU A 60 -1.711 13.180 -1.469 1.00 0.00 C ATOM 923 O GLU A 60 -0.725 13.917 -1.449 1.00 0.00 O ATOM 924 CB GLU A 60 -3.755 13.523 0.015 1.00 0.00 C ATOM 925 CG GLU A 60 -4.007 14.844 0.767 1.00 0.00 C ATOM 926 CD GLU A 60 -2.764 15.426 1.451 1.00 0.00 C ATOM 927 OE1 GLU A 60 -1.690 15.454 0.809 1.00 0.00 O ATOM 928 OE2 GLU A 60 -2.915 15.841 2.621 1.00 0.00 O ATOM 0 H GLU A 60 -4.733 12.544 -2.015 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.099 14.821 -1.563 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.695 12.980 -0.084 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.085 12.896 0.603 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.399 15.580 0.065 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.778 14.679 1.520 1.00 0.00 H new ATOM 935 N ALA A 61 -1.617 11.834 -1.590 1.00 0.00 N ATOM 936 CA ALA A 61 -0.366 11.082 -1.748 1.00 0.00 C ATOM 937 C ALA A 61 0.300 11.403 -3.107 1.00 0.00 C ATOM 938 O ALA A 61 1.527 11.390 -3.217 1.00 0.00 O ATOM 939 CB ALA A 61 -0.640 9.575 -1.620 1.00 0.00 C ATOM 0 H ALA A 61 -2.439 11.231 -1.579 1.00 0.00 H new ATOM 0 HA ALA A 61 0.323 11.382 -0.958 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.293 9.024 -1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -1.064 9.364 -0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.344 9.266 -2.393 1.00 0.00 H new ATOM 945 N LEU A 62 -0.524 11.709 -4.126 1.00 0.00 N ATOM 946 CA LEU A 62 -0.127 12.255 -5.436 1.00 0.00 C ATOM 947 C LEU A 62 0.280 13.739 -5.314 1.00 0.00 C ATOM 948 O LEU A 62 1.249 14.174 -5.938 1.00 0.00 O ATOM 949 CB LEU A 62 -1.296 12.112 -6.434 1.00 0.00 C ATOM 950 CG LEU A 62 -1.127 11.036 -7.529 1.00 0.00 C ATOM 951 CD1 LEU A 62 -2.455 10.873 -8.287 1.00 0.00 C ATOM 952 CD2 LEU A 62 -0.019 11.391 -8.534 1.00 0.00 C ATOM 0 H LEU A 62 -1.533 11.576 -4.054 1.00 0.00 H new ATOM 0 HA LEU A 62 0.734 11.693 -5.799 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.202 11.889 -5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.452 13.075 -6.920 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.842 10.107 -7.034 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.341 10.114 -9.061 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.236 10.567 -7.591 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.730 11.822 -8.747 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.059 10.603 -9.283 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.261 12.334 -9.024 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.931 11.488 -8.009 1.00 0.00 H new ATOM 964 N ALA A 63 -0.480 14.515 -4.516 1.00 0.00 N ATOM 965 CA ALA A 63 -0.171 15.892 -4.110 1.00 0.00 C ATOM 966 C ALA A 63 1.199 15.966 -3.399 1.00 0.00 C ATOM 967 O ALA A 63 1.815 17.031 -3.340 1.00 0.00 O ATOM 968 CB ALA A 63 -1.280 16.434 -3.194 1.00 0.00 C ATOM 0 H ALA A 63 -1.360 14.182 -4.123 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.119 16.510 -5.007 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.041 17.456 -2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.230 16.423 -3.728 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.356 15.808 -2.305 1.00 0.00 H new ATOM 974 N ALA A 64 1.659 14.825 -2.848 1.00 0.00 N ATOM 975 CA ALA A 64 2.975 14.647 -2.218 1.00 0.00 C ATOM 976 C ALA A 64 4.077 14.372 -3.264 1.00 0.00 C ATOM 977 O ALA A 64 5.266 14.490 -2.963 1.00 0.00 O ATOM 978 CB ALA A 64 2.909 13.502 -1.194 1.00 0.00 C ATOM 0 H ALA A 64 1.100 13.972 -2.831 1.00 0.00 H new ATOM 0 HA ALA A 64 3.235 15.575 -1.709 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.886 13.373 -0.729 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.171 13.741 -0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.622 12.579 -1.698 1.00 0.00 H new ATOM 984 N GLY A 65 3.678 14.001 -4.501 1.00 0.00 N ATOM 985 CA GLY A 65 4.586 13.671 -5.608 1.00 0.00 C ATOM 986 C GLY A 65 4.536 12.178 -6.013 1.00 0.00 C ATOM 987 O GLY A 65 4.982 11.809 -7.099 1.00 0.00 O ATOM 0 H GLY A 65 2.694 13.923 -4.757 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.332 14.284 -6.473 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.606 13.929 -5.322 1.00 0.00 H new ATOM 991 N PHE A 66 4.020 11.329 -5.102 1.00 0.00 N ATOM 992 CA PHE A 66 4.217 9.873 -5.071 1.00 0.00 C ATOM 993 C PHE A 66 3.283 9.156 -6.071 1.00 0.00 C ATOM 994 O PHE A 66 2.208 9.661 -6.397 1.00 0.00 O ATOM 995 CB PHE A 66 3.977 9.337 -3.645 1.00 0.00 C ATOM 996 CG PHE A 66 4.764 10.030 -2.539 1.00 0.00 C ATOM 997 CD1 PHE A 66 5.993 10.664 -2.828 1.00 0.00 C ATOM 998 CD2 PHE A 66 4.255 10.063 -1.218 1.00 0.00 C ATOM 999 CE1 PHE A 66 6.739 11.271 -1.794 1.00 0.00 C ATOM 1000 CE2 PHE A 66 4.996 10.677 -0.187 1.00 0.00 C ATOM 1001 CZ PHE A 66 6.241 11.277 -0.474 1.00 0.00 C ATOM 0 H PHE A 66 3.430 11.657 -4.337 1.00 0.00 H new ATOM 0 HA PHE A 66 5.246 9.667 -5.366 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.914 9.423 -3.418 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.222 8.275 -3.630 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.363 10.684 -3.842 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.296 9.617 -0.999 1.00 0.00 H new ATOM 0 HE1 PHE A 66 7.691 11.731 -2.014 1.00 0.00 H new ATOM 0 HE2 PHE A 66 4.611 10.688 0.822 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.812 11.741 0.317 1.00 0.00 H new ATOM 1011 N ARG A 67 3.708 7.968 -6.550 1.00 0.00 N ATOM 1012 CA ARG A 67 2.987 7.103 -7.495 1.00 0.00 C ATOM 1013 C ARG A 67 2.373 5.873 -6.779 1.00 0.00 C ATOM 1014 O ARG A 67 2.834 5.524 -5.690 1.00 0.00 O ATOM 1015 CB ARG A 67 3.958 6.650 -8.610 1.00 0.00 C ATOM 1016 CG ARG A 67 3.400 5.477 -9.421 1.00 0.00 C ATOM 1017 CD ARG A 67 4.031 4.122 -9.081 1.00 0.00 C ATOM 1018 NE ARG A 67 4.680 3.571 -10.280 1.00 0.00 N ATOM 1019 CZ ARG A 67 5.946 3.784 -10.673 1.00 0.00 C ATOM 1020 NH1 ARG A 67 6.780 4.555 -9.957 1.00 0.00 N ATOM 1021 NH2 ARG A 67 6.377 3.211 -11.806 1.00 0.00 N ATOM 0 H ARG A 67 4.606 7.571 -6.273 1.00 0.00 H new ATOM 0 HA ARG A 67 2.165 7.670 -7.932 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.159 7.488 -9.277 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.910 6.362 -8.165 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.324 5.416 -9.257 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.550 5.679 -10.482 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.761 4.239 -8.280 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.268 3.434 -8.718 1.00 0.00 H new ATOM 0 HE ARG A 67 4.111 2.966 -10.873 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.456 4.993 -9.095 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.738 4.703 -10.275 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.746 2.625 -12.353 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.336 3.361 -12.121 1.00 0.00 H new ATOM 1035 N PRO A 68 1.322 5.226 -7.338 1.00 0.00 N ATOM 1036 CA PRO A 68 0.650 4.056 -6.745 1.00 0.00 C ATOM 1037 C PRO A 68 1.494 2.763 -6.691 1.00 0.00 C ATOM 1038 O PRO A 68 1.912 2.249 -7.730 1.00 0.00 O ATOM 1039 CB PRO A 68 -0.634 3.855 -7.573 1.00 0.00 C ATOM 1040 CG PRO A 68 -0.261 4.424 -8.946 1.00 0.00 C ATOM 1041 CD PRO A 68 0.633 5.598 -8.570 1.00 0.00 C ATOM 0 HA PRO A 68 0.453 4.258 -5.692 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.912 2.803 -7.636 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.481 4.383 -7.136 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.263 3.693 -9.562 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -1.139 4.743 -9.508 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.349 5.809 -9.365 1.00 0.00 H new ATOM 0 HD3 PRO A 68 0.042 6.503 -8.425 1.00 0.00 H new ATOM 1049 N CYS A 69 1.723 2.233 -5.475 1.00 0.00 N ATOM 1050 CA CYS A 69 2.392 0.957 -5.176 1.00 0.00 C ATOM 1051 C CYS A 69 1.824 -0.179 -6.052 1.00 0.00 C ATOM 1052 O CYS A 69 0.651 -0.134 -6.439 1.00 0.00 O ATOM 1053 CB CYS A 69 2.248 0.676 -3.662 1.00 0.00 C ATOM 1054 SG CYS A 69 2.860 -0.964 -3.140 1.00 0.00 S ATOM 0 H CYS A 69 1.428 2.714 -4.626 1.00 0.00 H new ATOM 0 HA CYS A 69 3.453 1.016 -5.417 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.787 1.445 -3.109 1.00 0.00 H new ATOM 0 HB3 CYS A 69 1.197 0.763 -3.387 1.00 0.00 H new ATOM 0 HG CYS A 69 2.788 -1.062 -1.846 1.00 0.00 H new ATOM 1059 N LYS A 70 2.644 -1.201 -6.368 1.00 0.00 N ATOM 1060 CA LYS A 70 2.351 -2.256 -7.350 1.00 0.00 C ATOM 1061 C LYS A 70 1.452 -3.352 -6.735 1.00 0.00 C ATOM 1062 O LYS A 70 1.241 -4.397 -7.358 1.00 0.00 O ATOM 1063 CB LYS A 70 3.675 -2.847 -7.882 1.00 0.00 C ATOM 1064 CG LYS A 70 3.682 -2.988 -9.414 1.00 0.00 C ATOM 1065 CD LYS A 70 4.931 -3.714 -9.933 1.00 0.00 C ATOM 1066 CE LYS A 70 6.182 -3.173 -9.225 1.00 0.00 C ATOM 1067 NZ LYS A 70 7.423 -3.612 -9.886 1.00 0.00 N ATOM 0 H LYS A 70 3.558 -1.316 -5.930 1.00 0.00 H new ATOM 0 HA LYS A 70 1.801 -1.822 -8.185 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.504 -2.209 -7.575 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.841 -3.825 -7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.792 -3.533 -9.729 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.627 -1.998 -9.867 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.838 -4.786 -9.758 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.023 -3.574 -11.010 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.146 -2.084 -9.208 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.185 -3.508 -8.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.243 -3.225 -9.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.471 -4.651 -9.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.433 -3.270 -10.868 1.00 0.00 H new ATOM 1081 N ARG A 71 0.937 -3.127 -5.512 1.00 0.00 N ATOM 1082 CA ARG A 71 0.325 -4.126 -4.621 1.00 0.00 C ATOM 1083 C ARG A 71 -1.030 -3.624 -4.079 1.00 0.00 C ATOM 1084 O ARG A 71 -2.011 -4.369 -4.062 1.00 0.00 O ATOM 1085 CB ARG A 71 1.313 -4.437 -3.475 1.00 0.00 C ATOM 1086 CG ARG A 71 1.368 -5.926 -3.108 1.00 0.00 C ATOM 1087 CD ARG A 71 2.569 -6.624 -3.763 1.00 0.00 C ATOM 1088 NE ARG A 71 2.961 -7.821 -3.004 1.00 0.00 N ATOM 1089 CZ ARG A 71 4.218 -8.276 -2.842 1.00 0.00 C ATOM 1090 NH1 ARG A 71 5.278 -7.567 -3.264 1.00 0.00 N ATOM 1091 NH2 ARG A 71 4.417 -9.463 -2.251 1.00 0.00 N ATOM 0 H ARG A 71 0.937 -2.194 -5.099 1.00 0.00 H new ATOM 0 HA ARG A 71 0.123 -5.041 -5.177 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.310 -4.104 -3.764 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.028 -3.863 -2.593 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.430 -6.033 -2.025 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.446 -6.414 -3.424 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.318 -6.904 -4.786 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.410 -5.933 -3.819 1.00 0.00 H new ATOM 0 HE ARG A 71 2.213 -8.355 -2.560 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.140 -6.664 -3.718 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.221 -7.932 -3.131 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.620 -10.012 -1.929 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.365 -9.817 -2.124 1.00 0.00 H new ATOM 1105 N CYS A 72 -1.071 -2.356 -3.618 1.00 0.00 N ATOM 1106 CA CYS A 72 -2.168 -1.758 -2.846 1.00 0.00 C ATOM 1107 C CYS A 72 -3.029 -0.825 -3.722 1.00 0.00 C ATOM 1108 O CYS A 72 -4.207 -1.113 -3.960 1.00 0.00 O ATOM 1109 CB CYS A 72 -1.581 -1.029 -1.615 1.00 0.00 C ATOM 1110 SG CYS A 72 -0.258 -2.013 -0.849 1.00 0.00 S ATOM 0 H CYS A 72 -0.308 -1.699 -3.783 1.00 0.00 H new ATOM 0 HA CYS A 72 -2.836 -2.545 -2.496 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -1.190 -0.057 -1.915 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.370 -0.844 -0.886 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.677 -3.229 -0.657 1.00 0.00 H new ATOM 1115 N GLN A 73 -2.459 0.305 -4.187 1.00 0.00 N ATOM 1116 CA GLN A 73 -3.204 1.450 -4.735 1.00 0.00 C ATOM 1117 C GLN A 73 -4.083 0.997 -5.928 1.00 0.00 C ATOM 1118 O GLN A 73 -5.286 1.269 -5.919 1.00 0.00 O ATOM 1119 CB GLN A 73 -2.188 2.529 -5.165 1.00 0.00 C ATOM 1120 CG GLN A 73 -2.552 3.951 -4.682 1.00 0.00 C ATOM 1121 CD GLN A 73 -4.059 4.206 -4.534 1.00 0.00 C ATOM 1122 OE1 GLN A 73 -4.721 4.522 -5.520 1.00 0.00 O ATOM 1123 NE2 GLN A 73 -4.619 4.071 -3.326 1.00 0.00 N ATOM 0 H GLN A 73 -1.449 0.447 -4.191 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.871 1.865 -3.979 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.204 2.264 -4.778 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.113 2.532 -6.252 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.070 4.129 -3.721 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.141 4.676 -5.384 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -4.046 3.808 -2.525 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.619 4.231 -3.207 1.00 0.00 H new