USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 581 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 95 ASN : amide:sc= 0.969 K(o=1.1,f=0.0096) USER MOD Set 1.2: A 98 SER OG : rot 180:sc= 0.129 USER MOD Set 2.1: A 88 HIS :FLIP no HD1:sc= -2.4 F(o=-4.9!,f=-3.3) USER MOD Set 2.2: A 89 ASN :FLIP amide:sc= -0.92 F(o=-7.5,f=-3.3) USER MOD Set 3.1: A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 69 MET CE :methyl -163:sc=-0.000778 (180deg=0) USER MOD Set 3.3: A 72 ASN : amide:sc= -0.337 K(o=-0.34,f=-3.3!) USER MOD Set 4.1: A 54 GLN : amide:sc= -2.86! C(o=-4.3!,f=-6.2!) USER MOD Set 4.2: A 57 ASN :FLIP amide:sc= -1.41! F(o=-6.2,f=-4.3!) USER MOD Set 5.1: A 15 MET CE :methyl 142:sc= -8.59! (180deg=-10.7!) USER MOD Set 5.2: A 20 MET CE :methyl -133:sc= -6.65! (180deg=-8.68!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0651 X(o=-0.065,f=-0.44) USER MOD Single : A 14 GLN :FLIP amide:sc= -4.08 F(o=-5.9!,f=-4.1) USER MOD Single : A 22 ASN : amide:sc= -0.143 X(o=-0.14,f=-0.35) USER MOD Single : A 23 HIS : no HD1:sc= 0.268 K(o=0.27,f=-4.2!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 152:sc= -0.268 (180deg=-1.25!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 53 MET CE :methyl -155:sc= -0.0766 (180deg=-0.515) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 168:sc= -5.53! (180deg=-5.67!) USER MOD Single : A 70 MET CE :methyl -127:sc= -14.8! (180deg=-22.6!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 180:sc= -5.39! (180deg=-5.39!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 MET CE :methyl -155:sc= -3.63 (180deg=-7.16!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.0345 K(o=-0.034,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 145 N CYS A 11 6.397 -9.532 -7.659 1.00 0.00 N ATOM 146 CA CYS A 11 5.163 -9.039 -7.111 1.00 0.00 C ATOM 147 C CYS A 11 5.152 -7.538 -7.158 1.00 0.00 C ATOM 148 O CYS A 11 4.390 -6.985 -7.901 1.00 0.00 O ATOM 149 CB CYS A 11 4.949 -9.493 -5.693 1.00 0.00 C ATOM 150 SG CYS A 11 4.896 -11.271 -5.393 1.00 0.00 S ATOM 0 HA CYS A 11 4.353 -9.444 -7.717 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.745 -9.071 -5.080 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.012 -9.063 -5.339 1.00 0.00 H new ATOM 155 N TYR A 12 6.009 -6.859 -6.398 1.00 0.00 N ATOM 156 CA TYR A 12 6.166 -5.413 -6.436 1.00 0.00 C ATOM 157 C TYR A 12 6.107 -4.819 -7.839 1.00 0.00 C ATOM 158 O TYR A 12 5.311 -3.948 -8.103 1.00 0.00 O ATOM 159 CB TYR A 12 7.541 -5.100 -5.874 1.00 0.00 C ATOM 160 CG TYR A 12 8.102 -3.767 -6.305 1.00 0.00 C ATOM 161 CD1 TYR A 12 7.404 -2.577 -6.019 1.00 0.00 C ATOM 162 CD2 TYR A 12 9.283 -3.707 -7.071 1.00 0.00 C ATOM 163 CE1 TYR A 12 7.911 -1.344 -6.424 1.00 0.00 C ATOM 164 CE2 TYR A 12 9.786 -2.472 -7.486 1.00 0.00 C ATOM 165 CZ TYR A 12 9.109 -1.273 -7.166 1.00 0.00 C ATOM 166 OH TYR A 12 9.604 -0.077 -7.571 1.00 0.00 O ATOM 0 H TYR A 12 6.626 -7.313 -5.724 1.00 0.00 H new ATOM 0 HA TYR A 12 5.342 -4.981 -5.868 1.00 0.00 H new ATOM 0 HB2 TYR A 12 7.489 -5.124 -4.785 1.00 0.00 H new ATOM 0 HB3 TYR A 12 8.232 -5.887 -6.178 1.00 0.00 H new ATOM 0 HD1 TYR A 12 6.468 -2.621 -5.481 1.00 0.00 H new ATOM 0 HD2 TYR A 12 9.800 -4.617 -7.338 1.00 0.00 H new ATOM 0 HE1 TYR A 12 7.384 -0.437 -6.168 1.00 0.00 H new ATOM 0 HE2 TYR A 12 10.702 -2.433 -8.057 1.00 0.00 H new ATOM 0 HH TYR A 12 10.436 -0.219 -8.069 1.00 0.00 H new ATOM 176 N GLN A 13 6.909 -5.359 -8.748 1.00 0.00 N ATOM 177 CA GLN A 13 6.890 -4.898 -10.117 1.00 0.00 C ATOM 178 C GLN A 13 5.484 -5.034 -10.707 1.00 0.00 C ATOM 179 O GLN A 13 4.988 -4.161 -11.391 1.00 0.00 O ATOM 180 CB GLN A 13 7.859 -5.746 -10.932 1.00 0.00 C ATOM 181 CG GLN A 13 7.775 -5.368 -12.420 1.00 0.00 C ATOM 182 CD GLN A 13 9.047 -4.741 -12.954 1.00 0.00 C ATOM 183 OE1 GLN A 13 9.860 -4.166 -12.249 1.00 0.00 O ATOM 184 NE2 GLN A 13 9.366 -5.043 -14.191 1.00 0.00 N ATOM 0 H GLN A 13 7.573 -6.110 -8.558 1.00 0.00 H new ATOM 0 HA GLN A 13 7.183 -3.849 -10.147 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.876 -5.599 -10.569 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.625 -6.803 -10.804 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.547 -6.261 -13.002 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.948 -4.673 -12.565 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.693 -5.524 -14.788 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.287 -4.797 -14.555 1.00 0.00 H new ATOM 193 N GLN A 14 4.808 -6.147 -10.490 1.00 0.00 N ATOM 194 CA GLN A 14 3.426 -6.290 -10.913 1.00 0.00 C ATOM 195 C GLN A 14 2.478 -5.325 -10.187 1.00 0.00 C ATOM 196 O GLN A 14 1.368 -5.098 -10.643 1.00 0.00 O ATOM 197 CB GLN A 14 3.011 -7.759 -10.739 1.00 0.00 C ATOM 198 CG GLN A 14 2.025 -7.966 -9.587 1.00 0.00 C ATOM 199 CD GLN A 14 1.900 -9.420 -9.200 1.00 0.00 C ATOM 200 OE1 GLN A 14 2.197 -9.748 -7.957 1.00 0.00 O flip ATOM 201 NE2 GLN A 14 1.574 -10.268 -9.992 1.00 0.00 N flip ATOM 0 H GLN A 14 5.194 -6.967 -10.022 1.00 0.00 H new ATOM 0 HA GLN A 14 3.349 -6.015 -11.965 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.560 -8.116 -11.665 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.900 -8.364 -10.563 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.352 -7.388 -8.723 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.046 -7.583 -9.875 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.345 -10.009 -10.952 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.527 -11.245 -9.703 1.00 0.00 H new ATOM 210 N MET A 15 2.841 -4.894 -8.987 1.00 0.00 N ATOM 211 CA MET A 15 2.075 -4.028 -8.144 1.00 0.00 C ATOM 212 C MET A 15 1.867 -2.742 -8.869 1.00 0.00 C ATOM 213 O MET A 15 0.734 -2.405 -9.019 1.00 0.00 O ATOM 214 CB MET A 15 2.802 -3.700 -6.872 1.00 0.00 C ATOM 215 CG MET A 15 1.838 -3.480 -5.752 1.00 0.00 C ATOM 216 SD MET A 15 2.604 -2.465 -4.503 1.00 0.00 S ATOM 217 CE MET A 15 3.539 -3.724 -3.676 1.00 0.00 C ATOM 0 H MET A 15 3.730 -5.162 -8.565 1.00 0.00 H new ATOM 0 HA MET A 15 1.140 -4.533 -7.902 1.00 0.00 H new ATOM 0 HB2 MET A 15 3.483 -4.512 -6.617 1.00 0.00 H new ATOM 0 HB3 MET A 15 3.410 -2.807 -7.015 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.934 -2.998 -6.125 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.536 -4.436 -5.324 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.507 -3.321 -3.377 1.00 0.00 H new ATOM 0 HE2 MET A 15 2.996 -4.059 -2.792 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.690 -4.567 -4.350 1.00 0.00 H new ATOM 227 N GLU A 16 2.892 -1.993 -9.263 1.00 0.00 N ATOM 228 CA GLU A 16 2.702 -0.745 -10.000 1.00 0.00 C ATOM 229 C GLU A 16 1.790 -0.910 -11.224 1.00 0.00 C ATOM 230 O GLU A 16 0.962 -0.046 -11.485 1.00 0.00 O ATOM 231 CB GLU A 16 4.064 -0.222 -10.445 1.00 0.00 C ATOM 232 CG GLU A 16 4.939 -1.332 -11.035 1.00 0.00 C ATOM 233 CD GLU A 16 6.101 -0.806 -11.882 1.00 0.00 C ATOM 234 OE1 GLU A 16 6.046 0.356 -12.331 1.00 0.00 O ATOM 235 OE2 GLU A 16 7.096 -1.546 -12.024 1.00 0.00 O ATOM 0 H GLU A 16 3.868 -2.229 -9.084 1.00 0.00 H new ATOM 0 HA GLU A 16 2.211 -0.038 -9.331 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.926 0.564 -11.187 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.575 0.229 -9.594 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.337 -1.940 -10.223 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.319 -1.986 -11.648 1.00 0.00 H new ATOM 242 N GLU A 17 1.884 -2.072 -11.879 1.00 0.00 N ATOM 243 CA GLU A 17 1.045 -2.373 -13.030 1.00 0.00 C ATOM 244 C GLU A 17 -0.407 -2.591 -12.594 1.00 0.00 C ATOM 245 O GLU A 17 -1.344 -2.299 -13.348 1.00 0.00 O ATOM 246 CB GLU A 17 1.571 -3.618 -13.739 1.00 0.00 C ATOM 247 CG GLU A 17 1.097 -3.609 -15.194 1.00 0.00 C ATOM 248 CD GLU A 17 1.678 -4.809 -15.951 1.00 0.00 C ATOM 249 OE1 GLU A 17 2.912 -4.826 -16.159 1.00 0.00 O ATOM 250 OE2 GLU A 17 0.888 -5.691 -16.353 1.00 0.00 O ATOM 0 H GLU A 17 2.535 -2.816 -11.627 1.00 0.00 H new ATOM 0 HA GLU A 17 1.075 -1.528 -13.717 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.660 -3.640 -13.699 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.215 -4.516 -13.234 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.008 -3.641 -15.229 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.404 -2.682 -15.678 1.00 0.00 H new ATOM 257 N ALA A 18 -0.606 -3.061 -11.375 1.00 0.00 N ATOM 258 CA ALA A 18 -1.917 -3.273 -10.817 1.00 0.00 C ATOM 259 C ALA A 18 -2.005 -2.691 -9.436 1.00 0.00 C ATOM 260 O ALA A 18 -2.273 -3.452 -8.507 1.00 0.00 O ATOM 261 CB ALA A 18 -2.202 -4.774 -10.830 1.00 0.00 C ATOM 0 H ALA A 18 0.154 -3.308 -10.741 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.674 -2.764 -11.413 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.191 -4.960 -10.411 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.167 -5.142 -11.855 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.452 -5.292 -10.232 1.00 0.00 H new ATOM 267 N GLU A 19 -1.746 -1.382 -9.286 1.00 0.00 N ATOM 268 CA GLU A 19 -1.675 -0.684 -7.993 1.00 0.00 C ATOM 269 C GLU A 19 -2.817 -1.138 -7.083 1.00 0.00 C ATOM 270 O GLU A 19 -3.951 -0.642 -7.149 1.00 0.00 O ATOM 271 CB GLU A 19 -1.723 0.815 -8.239 1.00 0.00 C ATOM 272 CG GLU A 19 -2.456 1.156 -9.539 1.00 0.00 C ATOM 273 CD GLU A 19 -3.003 2.546 -9.541 1.00 0.00 C ATOM 274 OE1 GLU A 19 -2.326 3.413 -9.024 1.00 0.00 O ATOM 275 OE2 GLU A 19 -4.180 2.730 -9.996 1.00 0.00 O ATOM 0 H GLU A 19 -1.576 -0.765 -10.080 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.740 -0.927 -7.489 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.221 1.305 -7.402 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.708 1.209 -8.280 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.772 1.037 -10.379 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.271 0.448 -9.689 1.00 0.00 H new ATOM 282 N MET A 20 -2.520 -2.140 -6.273 1.00 0.00 N ATOM 283 CA MET A 20 -3.561 -2.818 -5.502 1.00 0.00 C ATOM 284 C MET A 20 -3.745 -1.956 -4.281 1.00 0.00 C ATOM 285 O MET A 20 -4.775 -2.020 -3.657 1.00 0.00 O ATOM 286 CB MET A 20 -3.126 -4.249 -5.165 1.00 0.00 C ATOM 287 CG MET A 20 -2.270 -4.291 -3.909 1.00 0.00 C ATOM 288 SD MET A 20 -0.711 -3.459 -4.119 1.00 0.00 S ATOM 289 CE MET A 20 0.323 -4.406 -3.029 1.00 0.00 C ATOM 0 H MET A 20 -1.578 -2.503 -6.129 1.00 0.00 H new ATOM 0 HA MET A 20 -4.501 -2.929 -6.043 1.00 0.00 H new ATOM 0 HB2 MET A 20 -4.007 -4.875 -5.027 1.00 0.00 H new ATOM 0 HB3 MET A 20 -2.566 -4.667 -6.002 1.00 0.00 H new ATOM 0 HG2 MET A 20 -2.816 -3.831 -3.086 1.00 0.00 H new ATOM 0 HG3 MET A 20 -2.090 -5.329 -3.631 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.910 -3.731 -2.407 1.00 0.00 H new ATOM 0 HE2 MET A 20 -0.299 -5.036 -2.394 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.993 -5.033 -3.617 1.00 0.00 H new ATOM 299 N LEU A 21 -2.743 -1.171 -3.906 1.00 0.00 N ATOM 300 CA LEU A 21 -2.763 -0.366 -2.718 1.00 0.00 C ATOM 301 C LEU A 21 -2.269 1.010 -3.116 1.00 0.00 C ATOM 302 O LEU A 21 -1.211 1.447 -2.723 1.00 0.00 O ATOM 303 CB LEU A 21 -1.953 -1.025 -1.626 1.00 0.00 C ATOM 304 CG LEU A 21 -2.606 -2.219 -0.927 1.00 0.00 C ATOM 305 CD1 LEU A 21 -1.637 -3.376 -0.799 1.00 0.00 C ATOM 306 CD2 LEU A 21 -3.183 -1.836 0.433 1.00 0.00 C ATOM 0 H LEU A 21 -1.879 -1.083 -4.441 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.764 -0.264 -2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.006 -1.354 -2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.718 -0.273 -0.872 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.437 -2.542 -1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.130 -4.210 -0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.312 -3.690 -1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.771 -3.063 -0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.637 -2.712 0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.385 -1.460 1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.939 -1.062 0.302 1.00 0.00 H new ATOM 318 N ASN A 22 -3.107 1.711 -3.872 1.00 0.00 N ATOM 319 CA ASN A 22 -2.800 3.078 -4.290 1.00 0.00 C ATOM 320 C ASN A 22 -4.020 3.974 -4.097 1.00 0.00 C ATOM 321 O ASN A 22 -3.965 5.056 -3.528 1.00 0.00 O ATOM 322 CB ASN A 22 -2.423 3.103 -5.773 1.00 0.00 C ATOM 323 CG ASN A 22 -2.086 4.511 -6.245 1.00 0.00 C ATOM 324 OD1 ASN A 22 -2.838 5.174 -6.958 1.00 0.00 O ATOM 325 ND2 ASN A 22 -1.268 5.188 -5.478 1.00 0.00 N ATOM 0 H ASN A 22 -4.003 1.358 -4.208 1.00 0.00 H new ATOM 0 HA ASN A 22 -1.969 3.439 -3.684 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.568 2.448 -5.942 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.249 2.709 -6.365 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.279 6.208 -5.495 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.620 4.695 -4.864 1.00 0.00 H new ATOM 332 N HIS A 23 -5.191 3.435 -4.461 1.00 0.00 N ATOM 333 CA HIS A 23 -6.440 4.174 -4.363 1.00 0.00 C ATOM 334 C HIS A 23 -6.837 4.229 -2.896 1.00 0.00 C ATOM 335 O HIS A 23 -7.048 5.304 -2.368 1.00 0.00 O ATOM 336 CB HIS A 23 -7.533 3.498 -5.187 1.00 0.00 C ATOM 337 CG HIS A 23 -7.206 3.383 -6.642 1.00 0.00 C ATOM 338 ND1 HIS A 23 -7.894 4.022 -7.662 1.00 0.00 N ATOM 339 CD2 HIS A 23 -6.210 2.622 -7.214 1.00 0.00 C ATOM 340 CE1 HIS A 23 -7.326 3.659 -8.833 1.00 0.00 C ATOM 341 NE2 HIS A 23 -6.335 2.783 -8.574 1.00 0.00 N ATOM 0 H HIS A 23 -5.291 2.488 -4.826 1.00 0.00 H new ATOM 0 HA HIS A 23 -6.310 5.182 -4.757 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.715 2.501 -4.785 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -8.460 4.061 -5.076 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -5.477 2.019 -6.698 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -7.617 4.011 -9.812 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.766 2.312 -9.278 1.00 0.00 H new ATOM 350 N CYS A 24 -6.899 3.076 -2.224 1.00 0.00 N ATOM 351 CA CYS A 24 -7.183 3.050 -0.797 1.00 0.00 C ATOM 352 C CYS A 24 -6.195 3.943 -0.043 1.00 0.00 C ATOM 353 O CYS A 24 -6.528 4.401 1.024 1.00 0.00 O ATOM 354 CB CYS A 24 -7.105 1.624 -0.247 1.00 0.00 C ATOM 355 SG CYS A 24 -8.696 0.774 -0.195 1.00 0.00 S ATOM 0 H CYS A 24 -6.757 2.158 -2.646 1.00 0.00 H new ATOM 0 HA CYS A 24 -8.196 3.425 -0.651 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.415 1.045 -0.861 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.687 1.655 0.759 1.00 0.00 H new ATOM 360 N GLY A 25 -5.039 4.253 -0.626 1.00 0.00 N ATOM 361 CA GLY A 25 -4.090 5.162 -0.069 1.00 0.00 C ATOM 362 C GLY A 25 -4.613 6.560 -0.036 1.00 0.00 C ATOM 363 O GLY A 25 -4.536 7.128 1.023 1.00 0.00 O ATOM 0 H GLY A 25 -4.747 3.859 -1.520 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.834 4.846 0.942 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.171 5.132 -0.654 1.00 0.00 H new ATOM 367 N MET A 26 -5.242 7.078 -1.088 1.00 0.00 N ATOM 368 CA MET A 26 -5.791 8.420 -1.096 1.00 0.00 C ATOM 369 C MET A 26 -6.777 8.636 0.029 1.00 0.00 C ATOM 370 O MET A 26 -6.763 9.704 0.599 1.00 0.00 O ATOM 371 CB MET A 26 -6.524 8.622 -2.399 1.00 0.00 C ATOM 372 CG MET A 26 -5.854 9.627 -3.319 1.00 0.00 C ATOM 373 SD MET A 26 -6.780 9.913 -4.856 1.00 0.00 S ATOM 374 CE MET A 26 -5.796 8.856 -5.959 1.00 0.00 C ATOM 0 H MET A 26 -5.383 6.571 -1.962 1.00 0.00 H new ATOM 0 HA MET A 26 -4.967 9.123 -0.973 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.603 7.665 -2.915 1.00 0.00 H new ATOM 0 HB3 MET A 26 -7.540 8.955 -2.188 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.737 10.573 -2.791 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.853 9.274 -3.565 1.00 0.00 H new ATOM 0 HE1 MET A 26 -6.210 8.896 -6.966 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.765 9.209 -5.976 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.822 7.828 -5.597 1.00 0.00 H new ATOM 384 N TYR A 27 -7.611 7.644 0.331 1.00 0.00 N ATOM 385 CA TYR A 27 -8.538 7.704 1.451 1.00 0.00 C ATOM 386 C TYR A 27 -7.834 7.954 2.780 1.00 0.00 C ATOM 387 O TYR A 27 -8.356 8.652 3.639 1.00 0.00 O ATOM 388 CB TYR A 27 -9.248 6.356 1.510 1.00 0.00 C ATOM 389 CG TYR A 27 -10.266 6.232 2.607 1.00 0.00 C ATOM 390 CD1 TYR A 27 -11.368 7.105 2.641 1.00 0.00 C ATOM 391 CD2 TYR A 27 -10.129 5.251 3.606 1.00 0.00 C ATOM 392 CE1 TYR A 27 -12.316 6.994 3.657 1.00 0.00 C ATOM 393 CE2 TYR A 27 -11.066 5.145 4.634 1.00 0.00 C ATOM 394 CZ TYR A 27 -12.180 6.017 4.664 1.00 0.00 C ATOM 395 OH TYR A 27 -13.104 5.936 5.649 1.00 0.00 O ATOM 0 H TYR A 27 -7.661 6.774 -0.198 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.228 8.534 1.298 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -9.740 6.177 0.554 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.501 5.572 1.635 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -11.480 7.862 1.879 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.289 4.573 3.577 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -13.163 7.663 3.673 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.941 4.399 5.405 1.00 0.00 H new ATOM 0 HH TYR A 27 -12.865 5.210 6.263 1.00 0.00 H new ATOM 405 N LEU A 28 -6.617 7.445 2.910 1.00 0.00 N ATOM 406 CA LEU A 28 -5.817 7.589 4.117 1.00 0.00 C ATOM 407 C LEU A 28 -4.873 8.775 3.949 1.00 0.00 C ATOM 408 O LEU A 28 -4.491 9.398 4.930 1.00 0.00 O ATOM 409 CB LEU A 28 -5.046 6.304 4.414 1.00 0.00 C ATOM 410 CG LEU A 28 -5.769 5.004 4.066 1.00 0.00 C ATOM 411 CD1 LEU A 28 -4.791 3.879 3.768 1.00 0.00 C ATOM 412 CD2 LEU A 28 -6.776 4.621 5.125 1.00 0.00 C ATOM 0 H LEU A 28 -6.153 6.915 2.172 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.472 7.775 4.968 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.104 6.332 3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.798 6.288 5.475 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.332 5.182 3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.344 2.971 3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.162 4.158 2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.165 3.700 4.642 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.268 3.691 4.840 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.267 4.484 6.079 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.521 5.411 5.222 1.00 0.00 H new ATOM 424 N MET A 29 -4.600 9.191 2.724 1.00 0.00 N ATOM 425 CA MET A 29 -3.753 10.311 2.370 1.00 0.00 C ATOM 426 C MET A 29 -4.583 11.562 2.167 1.00 0.00 C ATOM 427 O MET A 29 -4.088 12.560 1.670 1.00 0.00 O ATOM 428 CB MET A 29 -2.935 9.991 1.131 1.00 0.00 C ATOM 429 CG MET A 29 -1.458 10.229 1.367 1.00 0.00 C ATOM 430 SD MET A 29 -0.505 9.967 -0.134 1.00 0.00 S ATOM 431 CE MET A 29 -1.209 11.265 -1.159 1.00 0.00 C ATOM 0 H MET A 29 -4.988 8.726 1.903 1.00 0.00 H new ATOM 0 HA MET A 29 -3.061 10.495 3.192 1.00 0.00 H new ATOM 0 HB2 MET A 29 -3.096 8.952 0.845 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.276 10.607 0.299 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.304 11.247 1.725 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.100 9.559 2.149 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.470 11.593 -1.890 1.00 0.00 H new ATOM 0 HE2 MET A 29 -2.087 10.882 -1.679 1.00 0.00 H new ATOM 0 HE3 MET A 29 -1.498 12.108 -0.531 1.00 0.00 H new ATOM 441 N LYS A 30 -5.863 11.507 2.520 1.00 0.00 N ATOM 442 CA LYS A 30 -6.763 12.636 2.383 1.00 0.00 C ATOM 443 C LYS A 30 -6.667 13.512 3.613 1.00 0.00 C ATOM 444 O LYS A 30 -6.998 14.684 3.499 1.00 0.00 O ATOM 445 CB LYS A 30 -8.187 12.127 2.136 1.00 0.00 C ATOM 446 CG LYS A 30 -8.771 12.796 0.885 1.00 0.00 C ATOM 447 CD LYS A 30 -9.547 14.068 1.261 1.00 0.00 C ATOM 448 CE LYS A 30 -8.794 15.325 0.815 1.00 0.00 C ATOM 449 NZ LYS A 30 -9.426 15.901 -0.401 1.00 0.00 N ATOM 0 H LYS A 30 -6.302 10.673 2.910 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.481 13.247 1.526 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.179 11.044 2.010 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.815 12.342 3.001 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.968 13.046 0.192 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.432 12.100 0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.533 14.047 0.797 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.703 14.097 2.339 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.796 16.062 1.618 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.752 15.079 0.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.905 16.753 -0.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.402 15.201 -1.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.413 16.153 -0.193 1.00 0.00 H new ATOM 463 N ASN A 31 -6.173 12.949 4.718 1.00 0.00 N ATOM 464 CA ASN A 31 -5.937 13.704 5.937 1.00 0.00 C ATOM 465 C ASN A 31 -4.445 13.973 6.135 1.00 0.00 C ATOM 466 O ASN A 31 -4.089 14.736 7.017 1.00 0.00 O ATOM 467 CB ASN A 31 -6.472 12.898 7.122 1.00 0.00 C ATOM 468 CG ASN A 31 -7.427 13.723 7.949 1.00 0.00 C ATOM 469 OD1 ASN A 31 -8.517 14.061 7.516 1.00 0.00 O ATOM 470 ND2 ASN A 31 -7.028 14.073 9.144 1.00 0.00 N ATOM 0 H ASN A 31 -5.928 11.961 4.787 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.448 14.664 5.865 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.978 12.004 6.759 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.642 12.564 7.744 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.632 14.641 9.737 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.112 13.778 9.483 1.00 0.00 H new ATOM 758 N GLN A 49 -13.494 0.044 -2.679 1.00 0.00 N ATOM 759 CA GLN A 49 -12.955 -1.308 -2.768 1.00 0.00 C ATOM 760 C GLN A 49 -12.094 -1.431 -4.021 1.00 0.00 C ATOM 761 O GLN A 49 -11.820 -2.512 -4.500 1.00 0.00 O ATOM 762 CB GLN A 49 -14.086 -2.341 -2.752 1.00 0.00 C ATOM 763 CG GLN A 49 -14.340 -2.812 -1.325 1.00 0.00 C ATOM 764 CD GLN A 49 -15.360 -3.936 -1.282 1.00 0.00 C ATOM 765 OE1 GLN A 49 -16.317 -3.978 -2.031 1.00 0.00 O ATOM 766 NE2 GLN A 49 -15.165 -4.887 -0.407 1.00 0.00 N ATOM 0 HA GLN A 49 -12.326 -1.507 -1.900 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.994 -1.905 -3.167 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -13.823 -3.190 -3.383 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -13.404 -3.152 -0.881 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -14.694 -1.975 -0.722 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -14.361 -4.847 0.219 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -15.817 -5.669 -0.350 1.00 0.00 H new ATOM 775 N LEU A 50 -11.592 -0.303 -4.525 1.00 0.00 N ATOM 776 CA LEU A 50 -10.724 -0.313 -5.687 1.00 0.00 C ATOM 777 C LEU A 50 -9.372 -0.941 -5.324 1.00 0.00 C ATOM 778 O LEU A 50 -8.657 -1.399 -6.195 1.00 0.00 O ATOM 779 CB LEU A 50 -10.573 1.126 -6.209 1.00 0.00 C ATOM 780 CG LEU A 50 -11.639 1.508 -7.246 1.00 0.00 C ATOM 781 CD1 LEU A 50 -11.593 3.024 -7.482 1.00 0.00 C ATOM 782 CD2 LEU A 50 -11.427 0.742 -8.559 1.00 0.00 C ATOM 0 H LEU A 50 -11.775 0.625 -4.142 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.158 -0.920 -6.482 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.628 1.818 -5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.585 1.243 -6.654 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.623 1.234 -6.865 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -12.348 3.301 -8.218 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -11.791 3.544 -6.545 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.607 3.305 -7.851 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.195 1.031 -9.277 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.444 0.980 -8.964 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.492 -0.329 -8.370 1.00 0.00 H new ATOM 794 N CYS A 51 -9.018 -0.933 -4.033 1.00 0.00 N ATOM 795 CA CYS A 51 -7.803 -1.565 -3.561 1.00 0.00 C ATOM 796 C CYS A 51 -8.051 -3.039 -3.311 1.00 0.00 C ATOM 797 O CYS A 51 -7.370 -3.835 -3.935 1.00 0.00 O ATOM 798 CB CYS A 51 -7.329 -0.874 -2.301 1.00 0.00 C ATOM 799 SG CYS A 51 -8.265 -1.078 -0.759 1.00 0.00 S ATOM 0 H CYS A 51 -9.569 -0.488 -3.299 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.025 -1.475 -4.319 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -6.309 -1.208 -2.110 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.280 0.194 -2.514 1.00 0.00 H new ATOM 804 N CYS A 52 -9.125 -3.374 -2.569 1.00 0.00 N ATOM 805 CA CYS A 52 -9.490 -4.758 -2.302 1.00 0.00 C ATOM 806 C CYS A 52 -9.758 -5.489 -3.624 1.00 0.00 C ATOM 807 O CYS A 52 -9.704 -6.705 -3.665 1.00 0.00 O ATOM 808 CB CYS A 52 -10.698 -4.822 -1.365 1.00 0.00 C ATOM 809 SG CYS A 52 -10.899 -6.432 -0.549 1.00 0.00 S ATOM 0 H CYS A 52 -9.753 -2.690 -2.146 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.662 -5.259 -1.800 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -10.599 -4.048 -0.604 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -11.601 -4.597 -1.933 1.00 0.00 H new ATOM 814 N MET A 53 -9.989 -4.728 -4.703 1.00 0.00 N ATOM 815 CA MET A 53 -10.214 -5.259 -6.024 1.00 0.00 C ATOM 816 C MET A 53 -8.933 -5.883 -6.554 1.00 0.00 C ATOM 817 O MET A 53 -8.808 -7.091 -6.596 1.00 0.00 O ATOM 818 CB MET A 53 -10.681 -4.137 -6.945 1.00 0.00 C ATOM 819 CG MET A 53 -10.732 -4.629 -8.387 1.00 0.00 C ATOM 820 SD MET A 53 -11.958 -5.944 -8.586 1.00 0.00 S ATOM 821 CE MET A 53 -10.890 -7.255 -9.229 1.00 0.00 C ATOM 0 H MET A 53 -10.022 -3.709 -4.665 1.00 0.00 H new ATOM 0 HA MET A 53 -10.984 -6.030 -5.984 1.00 0.00 H new ATOM 0 HB2 MET A 53 -11.667 -3.789 -6.636 1.00 0.00 H new ATOM 0 HB3 MET A 53 -10.004 -3.286 -6.867 1.00 0.00 H new ATOM 0 HG2 MET A 53 -10.975 -3.798 -9.049 1.00 0.00 H new ATOM 0 HG3 MET A 53 -9.750 -4.996 -8.684 1.00 0.00 H new ATOM 0 HE1 MET A 53 -11.486 -7.957 -9.812 1.00 0.00 H new ATOM 0 HE2 MET A 53 -10.120 -6.818 -9.865 1.00 0.00 H new ATOM 0 HE3 MET A 53 -10.419 -7.781 -8.398 1.00 0.00 H new ATOM 831 N GLN A 54 -8.004 -5.042 -7.021 1.00 0.00 N ATOM 832 CA GLN A 54 -6.778 -5.521 -7.625 1.00 0.00 C ATOM 833 C GLN A 54 -6.011 -6.374 -6.634 1.00 0.00 C ATOM 834 O GLN A 54 -5.359 -7.311 -7.036 1.00 0.00 O ATOM 835 CB GLN A 54 -5.881 -4.352 -8.011 1.00 0.00 C ATOM 836 CG GLN A 54 -6.102 -3.946 -9.464 1.00 0.00 C ATOM 837 CD GLN A 54 -5.703 -5.029 -10.452 1.00 0.00 C ATOM 838 OE1 GLN A 54 -5.025 -5.980 -10.149 1.00 0.00 O ATOM 839 NE2 GLN A 54 -6.302 -5.043 -11.620 1.00 0.00 N ATOM 0 H GLN A 54 -8.088 -4.026 -6.987 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.046 -6.100 -8.509 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.084 -3.503 -7.358 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.837 -4.626 -7.862 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.153 -3.699 -9.610 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.530 -3.042 -9.674 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.882 -4.254 -11.905 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.187 -5.843 -12.242 1.00 0.00 H new ATOM 848 N LEU A 55 -6.156 -6.105 -5.333 1.00 0.00 N ATOM 849 CA LEU A 55 -5.554 -6.933 -4.310 1.00 0.00 C ATOM 850 C LEU A 55 -5.937 -8.400 -4.467 1.00 0.00 C ATOM 851 O LEU A 55 -5.104 -9.246 -4.191 1.00 0.00 O ATOM 852 CB LEU A 55 -5.976 -6.393 -2.964 1.00 0.00 C ATOM 853 CG LEU A 55 -5.030 -5.421 -2.275 1.00 0.00 C ATOM 854 CD1 LEU A 55 -5.749 -4.321 -1.509 1.00 0.00 C ATOM 855 CD2 LEU A 55 -4.009 -6.127 -1.383 1.00 0.00 C ATOM 0 H LEU A 55 -6.690 -5.314 -4.973 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.469 -6.895 -4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.939 -5.897 -3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.136 -7.239 -2.296 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.485 -4.938 -3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.016 -3.664 -1.042 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.368 -3.744 -2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.379 -4.766 -0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.360 -5.386 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.530 -6.691 -0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.408 -6.808 -1.986 1.00 0.00 H new ATOM 867 N LYS A 56 -7.138 -8.676 -4.973 1.00 0.00 N ATOM 868 CA LYS A 56 -7.545 -10.028 -5.326 1.00 0.00 C ATOM 869 C LYS A 56 -6.885 -10.494 -6.630 1.00 0.00 C ATOM 870 O LYS A 56 -6.589 -11.672 -6.767 1.00 0.00 O ATOM 871 CB LYS A 56 -9.077 -10.062 -5.384 1.00 0.00 C ATOM 872 CG LYS A 56 -9.591 -11.417 -5.868 1.00 0.00 C ATOM 873 CD LYS A 56 -10.310 -12.173 -4.761 1.00 0.00 C ATOM 874 CE LYS A 56 -10.268 -13.685 -5.017 1.00 0.00 C ATOM 875 NZ LYS A 56 -11.311 -14.070 -6.006 1.00 0.00 N ATOM 0 H LYS A 56 -7.852 -7.969 -5.148 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.206 -10.735 -4.569 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.484 -9.850 -4.395 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.434 -9.277 -6.051 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.269 -11.270 -6.708 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.755 -12.014 -6.233 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.845 -11.949 -3.801 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.346 -11.839 -4.700 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.283 -13.971 -5.387 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.427 -14.224 -4.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.272 -15.096 -6.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.250 -13.814 -5.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.142 -13.569 -6.902 1.00 0.00 H new ATOM 889 N ASN A 57 -6.779 -9.610 -7.618 1.00 0.00 N ATOM 890 CA ASN A 57 -6.027 -9.936 -8.822 1.00 0.00 C ATOM 891 C ASN A 57 -4.565 -10.321 -8.560 1.00 0.00 C ATOM 892 O ASN A 57 -3.930 -10.861 -9.461 1.00 0.00 O ATOM 893 CB ASN A 57 -6.062 -8.747 -9.787 1.00 0.00 C ATOM 894 CG ASN A 57 -7.096 -8.879 -10.876 1.00 0.00 C ATOM 895 OD1 ASN A 57 -7.524 -7.772 -11.426 1.00 0.00 O flip ATOM 896 ND2 ASN A 57 -7.587 -9.941 -11.204 1.00 0.00 N flip ATOM 0 H ASN A 57 -7.196 -8.679 -7.609 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.511 -10.813 -9.252 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.258 -7.837 -9.221 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.079 -8.632 -10.244 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.258 -10.808 -10.779 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.328 -9.966 -11.904 1.00 0.00 H new ATOM 903 N LEU A 58 -4.030 -9.903 -7.409 1.00 0.00 N ATOM 904 CA LEU A 58 -2.688 -10.257 -7.008 1.00 0.00 C ATOM 905 C LEU A 58 -2.617 -11.718 -6.555 1.00 0.00 C ATOM 906 O LEU A 58 -3.555 -12.492 -6.699 1.00 0.00 O ATOM 907 CB LEU A 58 -2.211 -9.261 -5.944 1.00 0.00 C ATOM 908 CG LEU A 58 -1.485 -8.048 -6.512 1.00 0.00 C ATOM 909 CD1 LEU A 58 -0.919 -7.192 -5.377 1.00 0.00 C ATOM 910 CD2 LEU A 58 -0.343 -8.480 -7.419 1.00 0.00 C ATOM 0 H LEU A 58 -4.523 -9.312 -6.739 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.007 -10.186 -7.856 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.072 -8.920 -5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.547 -9.777 -5.250 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.204 -7.467 -7.090 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.402 -6.328 -5.796 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.733 -6.853 -4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.218 -7.784 -4.789 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.162 -7.598 -7.814 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.367 -9.080 -6.850 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.738 -9.072 -8.245 1.00 0.00 H new ATOM 922 N ASP A 59 -1.450 -12.101 -6.069 1.00 0.00 N ATOM 923 CA ASP A 59 -1.256 -13.439 -5.547 1.00 0.00 C ATOM 924 C ASP A 59 -1.461 -13.457 -4.042 1.00 0.00 C ATOM 925 O ASP A 59 -1.048 -12.504 -3.362 1.00 0.00 O ATOM 926 CB ASP A 59 0.163 -13.902 -5.885 1.00 0.00 C ATOM 927 CG ASP A 59 0.184 -14.996 -6.948 1.00 0.00 C ATOM 928 OD1 ASP A 59 -0.632 -15.931 -6.846 1.00 0.00 O ATOM 929 OD2 ASP A 59 1.178 -14.978 -7.718 1.00 0.00 O ATOM 0 H ASP A 59 -0.624 -11.504 -6.025 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.984 -14.112 -6.000 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.746 -13.050 -6.234 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.647 -14.270 -4.980 1.00 0.00 H new ATOM 934 N GLU A 60 -1.731 -14.639 -3.498 1.00 0.00 N ATOM 935 CA GLU A 60 -1.902 -14.802 -2.057 1.00 0.00 C ATOM 936 C GLU A 60 -0.550 -14.717 -1.343 1.00 0.00 C ATOM 937 O GLU A 60 -0.474 -14.525 -0.135 1.00 0.00 O ATOM 938 CB GLU A 60 -2.574 -16.145 -1.749 1.00 0.00 C ATOM 939 CG GLU A 60 -3.793 -15.944 -0.843 1.00 0.00 C ATOM 940 CD GLU A 60 -5.084 -16.306 -1.589 1.00 0.00 C ATOM 941 OE1 GLU A 60 -5.420 -17.514 -1.598 1.00 0.00 O ATOM 942 OE2 GLU A 60 -5.736 -15.376 -2.107 1.00 0.00 O ATOM 0 H GLU A 60 -1.836 -15.500 -4.034 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.540 -13.996 -1.694 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.880 -16.626 -2.678 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.861 -16.812 -1.265 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.696 -16.563 0.049 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.838 -14.907 -0.509 1.00 0.00 H new ATOM 949 N LYS A 61 0.538 -14.853 -2.108 1.00 0.00 N ATOM 950 CA LYS A 61 1.878 -14.704 -1.588 1.00 0.00 C ATOM 951 C LYS A 61 2.337 -13.278 -1.790 1.00 0.00 C ATOM 952 O LYS A 61 3.196 -12.852 -1.058 1.00 0.00 O ATOM 953 CB LYS A 61 2.779 -15.727 -2.274 1.00 0.00 C ATOM 954 CG LYS A 61 4.255 -15.494 -1.933 1.00 0.00 C ATOM 955 CD LYS A 61 4.975 -16.788 -1.584 1.00 0.00 C ATOM 956 CE LYS A 61 5.545 -17.427 -2.850 1.00 0.00 C ATOM 957 NZ LYS A 61 6.971 -17.792 -2.636 1.00 0.00 N ATOM 0 H LYS A 61 0.502 -15.070 -3.104 1.00 0.00 H new ATOM 0 HA LYS A 61 1.916 -14.897 -0.516 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.488 -16.732 -1.969 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.640 -15.669 -3.354 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.752 -15.021 -2.780 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.328 -14.802 -1.094 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.778 -16.587 -0.875 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.285 -17.478 -1.097 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.969 -18.315 -3.111 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.460 -16.734 -3.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.352 -18.226 -3.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.518 -16.937 -2.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.042 -18.468 -1.849 1.00 0.00 H new ATOM 971 N CYS A 62 1.835 -12.547 -2.772 1.00 0.00 N ATOM 972 CA CYS A 62 2.173 -11.148 -2.953 1.00 0.00 C ATOM 973 C CYS A 62 1.281 -10.271 -2.065 1.00 0.00 C ATOM 974 O CYS A 62 1.618 -9.123 -1.802 1.00 0.00 O ATOM 975 CB CYS A 62 1.997 -10.788 -4.410 1.00 0.00 C ATOM 976 SG CYS A 62 2.922 -11.790 -5.600 1.00 0.00 S ATOM 0 H CYS A 62 1.181 -12.909 -3.466 1.00 0.00 H new ATOM 0 HA CYS A 62 3.210 -10.976 -2.663 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.937 -10.858 -4.654 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.286 -9.745 -4.542 1.00 0.00 H new ATOM 981 N MET A 63 0.265 -10.825 -1.431 1.00 0.00 N ATOM 982 CA MET A 63 -0.630 -10.088 -0.563 1.00 0.00 C ATOM 983 C MET A 63 -0.074 -10.069 0.852 1.00 0.00 C ATOM 984 O MET A 63 -0.602 -10.615 1.795 1.00 0.00 O ATOM 985 CB MET A 63 -1.988 -10.744 -0.617 1.00 0.00 C ATOM 986 CG MET A 63 -2.752 -10.404 -1.888 1.00 0.00 C ATOM 987 SD MET A 63 -3.836 -11.745 -2.424 1.00 0.00 S ATOM 988 CE MET A 63 -4.682 -12.107 -0.882 1.00 0.00 C ATOM 0 H MET A 63 0.036 -11.816 -1.507 1.00 0.00 H new ATOM 0 HA MET A 63 -0.723 -9.053 -0.892 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.868 -11.825 -0.548 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.573 -10.432 0.248 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.346 -9.506 -1.721 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.043 -10.174 -2.684 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.532 -12.760 -1.078 1.00 0.00 H new ATOM 0 HE2 MET A 63 -3.994 -12.603 -0.197 1.00 0.00 H new ATOM 0 HE3 MET A 63 -5.034 -11.178 -0.433 1.00 0.00 H new ATOM 998 N CYS A 64 1.047 -9.427 1.065 1.00 0.00 N ATOM 999 CA CYS A 64 1.705 -9.393 2.377 1.00 0.00 C ATOM 1000 C CYS A 64 3.075 -8.763 2.170 1.00 0.00 C ATOM 1001 O CYS A 64 3.366 -7.706 2.725 1.00 0.00 O ATOM 1002 CB CYS A 64 1.837 -10.778 3.045 1.00 0.00 C ATOM 1003 SG CYS A 64 3.448 -11.076 3.895 1.00 0.00 S ATOM 0 H CYS A 64 1.542 -8.907 0.341 1.00 0.00 H new ATOM 0 HA CYS A 64 1.088 -8.811 3.062 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.032 -10.894 3.771 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.695 -11.547 2.286 1.00 0.00 H new ATOM 1008 N PRO A 65 3.915 -9.369 1.312 1.00 0.00 N ATOM 1009 CA PRO A 65 5.260 -8.879 1.045 1.00 0.00 C ATOM 1010 C PRO A 65 5.210 -7.671 0.108 1.00 0.00 C ATOM 1011 O PRO A 65 6.039 -6.790 0.249 1.00 0.00 O ATOM 1012 CB PRO A 65 6.033 -10.048 0.405 1.00 0.00 C ATOM 1013 CG PRO A 65 4.978 -11.013 -0.084 1.00 0.00 C ATOM 1014 CD PRO A 65 3.671 -10.587 0.561 1.00 0.00 C ATOM 0 HA PRO A 65 5.752 -8.548 1.960 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.658 -9.701 -0.418 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.694 -10.524 1.129 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.901 -10.985 -1.171 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.231 -12.037 0.192 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.908 -10.419 -0.199 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.298 -11.372 1.219 1.00 0.00 H new ATOM 1022 N ALA A 66 4.227 -7.630 -0.789 1.00 0.00 N ATOM 1023 CA ALA A 66 4.063 -6.536 -1.685 1.00 0.00 C ATOM 1024 C ALA A 66 3.586 -5.343 -0.909 1.00 0.00 C ATOM 1025 O ALA A 66 4.185 -4.319 -1.104 1.00 0.00 O ATOM 1026 CB ALA A 66 3.067 -6.909 -2.757 1.00 0.00 C ATOM 0 H ALA A 66 3.531 -8.367 -0.899 1.00 0.00 H new ATOM 0 HA ALA A 66 5.011 -6.293 -2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.941 -6.072 -3.444 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.432 -7.777 -3.306 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.109 -7.148 -2.296 1.00 0.00 H new ATOM 1032 N ILE A 67 2.591 -5.471 -0.028 1.00 0.00 N ATOM 1033 CA ILE A 67 2.090 -4.362 0.791 1.00 0.00 C ATOM 1034 C ILE A 67 3.223 -3.443 1.289 1.00 0.00 C ATOM 1035 O ILE A 67 3.127 -2.225 1.248 1.00 0.00 O ATOM 1036 CB ILE A 67 1.310 -4.927 1.982 1.00 0.00 C ATOM 1037 CG1 ILE A 67 -0.011 -5.561 1.507 1.00 0.00 C ATOM 1038 CG2 ILE A 67 1.124 -3.829 3.040 1.00 0.00 C ATOM 1039 CD1 ILE A 67 -1.221 -4.997 2.243 1.00 0.00 C ATOM 0 H ILE A 67 2.106 -6.353 0.139 1.00 0.00 H new ATOM 0 HA ILE A 67 1.437 -3.753 0.166 1.00 0.00 H new ATOM 0 HB ILE A 67 1.872 -5.731 2.457 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.128 -5.392 0.437 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.032 -6.640 1.656 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.569 -4.231 3.888 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.100 -3.480 3.378 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.571 -2.996 2.606 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.128 -5.475 1.873 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.119 -5.189 3.311 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.282 -3.922 2.072 1.00 0.00 H new ATOM 1051 N MET A 68 4.351 -4.050 1.653 1.00 0.00 N ATOM 1052 CA MET A 68 5.560 -3.317 1.984 1.00 0.00 C ATOM 1053 C MET A 68 5.975 -2.326 0.904 1.00 0.00 C ATOM 1054 O MET A 68 5.831 -1.126 1.133 1.00 0.00 O ATOM 1055 CB MET A 68 6.687 -4.303 2.255 1.00 0.00 C ATOM 1056 CG MET A 68 7.499 -3.839 3.452 1.00 0.00 C ATOM 1057 SD MET A 68 9.062 -3.091 2.925 1.00 0.00 S ATOM 1058 CE MET A 68 9.245 -1.859 4.232 1.00 0.00 C ATOM 0 H MET A 68 4.447 -5.063 1.725 1.00 0.00 H new ATOM 0 HA MET A 68 5.348 -2.727 2.876 1.00 0.00 H new ATOM 0 HB2 MET A 68 6.277 -5.295 2.444 1.00 0.00 H new ATOM 0 HB3 MET A 68 7.329 -4.386 1.378 1.00 0.00 H new ATOM 0 HG2 MET A 68 6.922 -3.116 4.029 1.00 0.00 H new ATOM 0 HG3 MET A 68 7.700 -4.685 4.110 1.00 0.00 H new ATOM 0 HE1 MET A 68 10.163 -1.294 4.073 1.00 0.00 H new ATOM 0 HE2 MET A 68 8.393 -1.180 4.214 1.00 0.00 H new ATOM 0 HE3 MET A 68 9.290 -2.359 5.200 1.00 0.00 H new ATOM 1068 N MET A 69 6.327 -2.842 -0.283 1.00 0.00 N ATOM 1069 CA MET A 69 6.658 -2.039 -1.437 1.00 0.00 C ATOM 1070 C MET A 69 5.546 -1.084 -1.846 1.00 0.00 C ATOM 1071 O MET A 69 5.830 -0.019 -2.384 1.00 0.00 O ATOM 1072 CB MET A 69 7.003 -2.950 -2.597 1.00 0.00 C ATOM 1073 CG MET A 69 8.383 -3.561 -2.440 1.00 0.00 C ATOM 1074 SD MET A 69 9.689 -2.306 -2.404 1.00 0.00 S ATOM 1075 CE MET A 69 10.283 -2.589 -0.721 1.00 0.00 C ATOM 0 H MET A 69 6.386 -3.846 -0.456 1.00 0.00 H new ATOM 0 HA MET A 69 7.512 -1.421 -1.162 1.00 0.00 H new ATOM 0 HB2 MET A 69 6.260 -3.744 -2.670 1.00 0.00 H new ATOM 0 HB3 MET A 69 6.959 -2.386 -3.528 1.00 0.00 H new ATOM 0 HG2 MET A 69 8.417 -4.145 -1.520 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.568 -4.252 -3.263 1.00 0.00 H new ATOM 0 HE1 MET A 69 10.874 -1.733 -0.395 1.00 0.00 H new ATOM 0 HE2 MET A 69 9.432 -2.719 -0.052 1.00 0.00 H new ATOM 0 HE3 MET A 69 10.902 -3.486 -0.700 1.00 0.00 H new ATOM 1085 N MET A 70 4.308 -1.443 -1.539 1.00 0.00 N ATOM 1086 CA MET A 70 3.186 -0.612 -1.863 1.00 0.00 C ATOM 1087 C MET A 70 3.340 0.704 -1.170 1.00 0.00 C ATOM 1088 O MET A 70 2.784 1.655 -1.641 1.00 0.00 O ATOM 1089 CB MET A 70 1.893 -1.307 -1.436 1.00 0.00 C ATOM 1090 CG MET A 70 0.923 -0.471 -0.628 1.00 0.00 C ATOM 1091 SD MET A 70 0.141 -1.352 0.703 1.00 0.00 S ATOM 1092 CE MET A 70 -0.729 -0.011 1.477 1.00 0.00 C ATOM 0 H MET A 70 4.067 -2.312 -1.063 1.00 0.00 H new ATOM 0 HA MET A 70 3.142 -0.441 -2.939 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.380 -1.658 -2.332 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.154 -2.189 -0.852 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.454 0.388 -0.218 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.153 -0.082 -1.294 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.481 0.019 2.538 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.438 0.930 1.009 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.803 -0.158 1.359 1.00 0.00 H new ATOM 1102 N LEU A 71 3.870 0.711 0.047 1.00 0.00 N ATOM 1103 CA LEU A 71 3.990 1.911 0.834 1.00 0.00 C ATOM 1104 C LEU A 71 5.428 2.358 0.705 1.00 0.00 C ATOM 1105 O LEU A 71 5.891 3.082 1.557 1.00 0.00 O ATOM 1106 CB LEU A 71 3.575 1.669 2.279 1.00 0.00 C ATOM 1107 CG LEU A 71 2.149 1.171 2.432 1.00 0.00 C ATOM 1108 CD1 LEU A 71 1.870 0.681 3.839 1.00 0.00 C ATOM 1109 CD2 LEU A 71 1.149 2.250 2.040 1.00 0.00 C ATOM 0 H LEU A 71 4.228 -0.125 0.509 1.00 0.00 H new ATOM 0 HA LEU A 71 3.321 2.694 0.478 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.254 0.942 2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.688 2.597 2.840 1.00 0.00 H new ATOM 0 HG LEU A 71 2.032 0.324 1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.839 0.334 3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.546 -0.140 4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.024 1.496 4.546 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.135 1.867 2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.285 3.122 2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.310 2.535 1.000 1.00 0.00 H new ATOM 1121 N ASN A 72 6.165 1.935 -0.317 1.00 0.00 N ATOM 1122 CA ASN A 72 7.522 2.380 -0.586 1.00 0.00 C ATOM 1123 C ASN A 72 7.602 3.093 -1.923 1.00 0.00 C ATOM 1124 O ASN A 72 8.685 3.534 -2.291 1.00 0.00 O ATOM 1125 CB ASN A 72 8.434 1.167 -0.596 1.00 0.00 C ATOM 1126 CG ASN A 72 8.595 0.590 0.783 1.00 0.00 C ATOM 1127 OD1 ASN A 72 8.493 -0.580 1.033 1.00 0.00 O ATOM 1128 ND2 ASN A 72 8.976 1.387 1.741 1.00 0.00 N ATOM 0 H ASN A 72 5.823 1.256 -0.997 1.00 0.00 H new ATOM 0 HA ASN A 72 7.831 3.081 0.189 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.026 0.409 -1.264 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.410 1.447 -0.991 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.177 1.011 2.668 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.073 2.387 1.564 1.00 0.00 H new ATOM 1135 N GLU A 73 6.480 3.150 -2.642 1.00 0.00 N ATOM 1136 CA GLU A 73 6.432 3.784 -3.932 1.00 0.00 C ATOM 1137 C GLU A 73 6.816 5.263 -3.817 1.00 0.00 C ATOM 1138 O GLU A 73 6.926 5.824 -2.699 1.00 0.00 O ATOM 1139 CB GLU A 73 5.043 3.551 -4.561 1.00 0.00 C ATOM 1140 CG GLU A 73 4.097 4.733 -4.323 1.00 0.00 C ATOM 1141 CD GLU A 73 2.701 4.434 -4.840 1.00 0.00 C ATOM 1142 OE1 GLU A 73 2.015 3.571 -4.276 1.00 0.00 O ATOM 1143 OE2 GLU A 73 2.286 5.069 -5.826 1.00 0.00 O ATOM 0 H GLU A 73 5.590 2.756 -2.336 1.00 0.00 H new ATOM 0 HA GLU A 73 7.166 3.339 -4.604 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.154 3.386 -5.633 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.603 2.645 -4.143 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.052 4.957 -3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.489 5.621 -4.819 1.00 0.00 H new ATOM 1150 N PRO A 74 6.875 5.950 -4.955 1.00 0.00 N ATOM 1151 CA PRO A 74 7.072 7.400 -4.996 1.00 0.00 C ATOM 1152 C PRO A 74 5.843 8.203 -4.512 1.00 0.00 C ATOM 1153 O PRO A 74 5.547 9.280 -5.037 1.00 0.00 O ATOM 1154 CB PRO A 74 7.443 7.704 -6.460 1.00 0.00 C ATOM 1155 CG PRO A 74 6.922 6.544 -7.288 1.00 0.00 C ATOM 1156 CD PRO A 74 6.599 5.441 -6.301 1.00 0.00 C ATOM 0 HA PRO A 74 7.855 7.711 -4.304 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.997 8.644 -6.786 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.522 7.807 -6.573 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.036 6.834 -7.853 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.668 6.215 -8.012 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.554 5.143 -6.390 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.202 4.556 -6.506 1.00 0.00 H new ATOM 1164 N MET A 75 5.189 7.732 -3.476 1.00 0.00 N ATOM 1165 CA MET A 75 4.027 8.362 -2.925 1.00 0.00 C ATOM 1166 C MET A 75 3.713 7.753 -1.585 1.00 0.00 C ATOM 1167 O MET A 75 2.575 7.823 -1.181 1.00 0.00 O ATOM 1168 CB MET A 75 2.846 8.186 -3.886 1.00 0.00 C ATOM 1169 CG MET A 75 2.422 9.536 -4.445 1.00 0.00 C ATOM 1170 SD MET A 75 0.656 9.542 -4.871 1.00 0.00 S ATOM 1171 CE MET A 75 0.818 9.809 -6.651 1.00 0.00 C ATOM 0 H MET A 75 5.462 6.880 -2.986 1.00 0.00 H new ATOM 0 HA MET A 75 4.213 9.427 -2.790 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.126 7.518 -4.701 1.00 0.00 H new ATOM 0 HB3 MET A 75 2.009 7.720 -3.365 1.00 0.00 H new ATOM 0 HG2 MET A 75 2.625 10.317 -3.712 1.00 0.00 H new ATOM 0 HG3 MET A 75 3.014 9.769 -5.330 1.00 0.00 H new ATOM 0 HE1 MET A 75 -0.172 9.844 -7.105 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.334 10.752 -6.832 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.390 8.992 -7.091 1.00 0.00 H new ATOM 1181 N TRP A 76 4.688 7.195 -0.876 1.00 0.00 N ATOM 1182 CA TRP A 76 4.468 6.620 0.431 1.00 0.00 C ATOM 1183 C TRP A 76 5.764 6.748 1.196 1.00 0.00 C ATOM 1184 O TRP A 76 6.459 5.776 1.411 1.00 0.00 O ATOM 1185 CB TRP A 76 3.989 5.189 0.284 1.00 0.00 C ATOM 1186 CG TRP A 76 2.667 5.037 -0.406 1.00 0.00 C ATOM 1187 CD1 TRP A 76 2.407 4.383 -1.536 1.00 0.00 C ATOM 1188 CD2 TRP A 76 1.398 5.636 -0.058 1.00 0.00 C ATOM 1189 NE1 TRP A 76 1.098 4.502 -1.878 1.00 0.00 N ATOM 1190 CE2 TRP A 76 0.425 5.331 -1.049 1.00 0.00 C ATOM 1191 CE3 TRP A 76 1.028 6.528 0.940 1.00 0.00 C ATOM 1192 CZ2 TRP A 76 -0.877 5.792 -1.005 1.00 0.00 C ATOM 1193 CZ3 TRP A 76 -0.274 6.992 1.008 1.00 0.00 C ATOM 1194 CH2 TRP A 76 -1.215 6.624 0.046 1.00 0.00 C ATOM 0 H TRP A 76 5.653 7.132 -1.199 1.00 0.00 H new ATOM 0 HA TRP A 76 3.687 7.138 0.988 1.00 0.00 H new ATOM 0 HB2 TRP A 76 4.739 4.625 -0.270 1.00 0.00 H new ATOM 0 HB3 TRP A 76 3.920 4.740 1.275 1.00 0.00 H new ATOM 0 HD1 TRP A 76 3.140 3.831 -2.105 1.00 0.00 H new ATOM 0 HE1 TRP A 76 0.671 4.021 -2.670 1.00 0.00 H new ATOM 0 HE3 TRP A 76 1.757 6.860 1.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -1.599 5.514 -1.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -0.565 7.647 1.816 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -2.226 6.996 0.124 1.00 0.00 H new ATOM 1205 N ILE A 77 6.147 7.977 1.570 1.00 0.00 N ATOM 1206 CA ILE A 77 7.453 8.217 2.200 1.00 0.00 C ATOM 1207 C ILE A 77 7.236 8.363 3.683 1.00 0.00 C ATOM 1208 O ILE A 77 6.708 7.478 4.318 1.00 0.00 O ATOM 1209 CB ILE A 77 8.178 9.421 1.596 1.00 0.00 C ATOM 1210 CG1 ILE A 77 8.159 9.402 0.065 1.00 0.00 C ATOM 1211 CG2 ILE A 77 9.617 9.506 2.150 1.00 0.00 C ATOM 1212 CD1 ILE A 77 8.373 7.987 -0.485 1.00 0.00 C ATOM 0 H ILE A 77 5.577 8.814 1.449 1.00 0.00 H new ATOM 0 HA ILE A 77 8.111 7.369 2.010 1.00 0.00 H new ATOM 0 HB ILE A 77 7.640 10.321 1.894 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.206 9.791 -0.292 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.937 10.063 -0.317 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.125 10.366 1.714 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.584 9.615 3.234 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.160 8.596 1.894 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.353 8.013 -1.575 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.338 7.608 -0.149 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.580 7.332 -0.123 1.00 0.00 H new ATOM 1224 N ARG A 78 7.552 9.490 4.283 1.00 0.00 N ATOM 1225 CA ARG A 78 7.283 9.736 5.693 1.00 0.00 C ATOM 1226 C ARG A 78 5.818 10.075 5.951 1.00 0.00 C ATOM 1227 O ARG A 78 5.508 10.714 6.939 1.00 0.00 O ATOM 1228 CB ARG A 78 8.223 10.840 6.179 1.00 0.00 C ATOM 1229 CG ARG A 78 7.749 12.231 5.706 1.00 0.00 C ATOM 1230 CD ARG A 78 8.880 13.010 5.041 1.00 0.00 C ATOM 1231 NE ARG A 78 9.382 14.056 5.935 1.00 0.00 N ATOM 1232 CZ ARG A 78 10.575 14.615 5.855 1.00 0.00 C ATOM 1233 NH1 ARG A 78 11.445 14.216 4.953 1.00 0.00 N ATOM 1234 NH2 ARG A 78 10.932 15.546 6.703 1.00 0.00 N ATOM 0 H ARG A 78 8.006 10.270 3.808 1.00 0.00 H new ATOM 0 HA ARG A 78 7.472 8.824 6.259 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.275 10.822 7.268 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.231 10.652 5.808 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.923 12.116 5.004 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.368 12.796 6.557 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.690 12.330 4.777 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.524 13.457 4.113 1.00 0.00 H new ATOM 0 HE ARG A 78 8.761 14.378 6.678 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.201 13.467 4.305 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.364 14.656 4.901 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.286 15.845 7.434 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.856 15.972 6.633 1.00 0.00 H new ATOM 1248 N MET A 79 4.957 9.796 4.991 1.00 0.00 N ATOM 1249 CA MET A 79 3.554 10.163 5.030 1.00 0.00 C ATOM 1250 C MET A 79 2.739 8.901 5.176 1.00 0.00 C ATOM 1251 O MET A 79 1.715 8.893 5.831 1.00 0.00 O ATOM 1252 CB MET A 79 3.131 10.878 3.750 1.00 0.00 C ATOM 1253 CG MET A 79 4.114 10.646 2.602 1.00 0.00 C ATOM 1254 SD MET A 79 3.588 11.435 1.086 1.00 0.00 S ATOM 1255 CE MET A 79 2.954 10.008 0.258 1.00 0.00 C ATOM 0 H MET A 79 5.220 9.296 4.142 1.00 0.00 H new ATOM 0 HA MET A 79 3.390 10.840 5.869 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.141 10.531 3.453 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.049 11.947 3.944 1.00 0.00 H new ATOM 0 HG2 MET A 79 5.096 11.026 2.885 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.224 9.575 2.432 1.00 0.00 H new ATOM 0 HE1 MET A 79 2.573 10.295 -0.722 1.00 0.00 H new ATOM 0 HE2 MET A 79 3.751 9.274 0.136 1.00 0.00 H new ATOM 0 HE3 MET A 79 2.147 9.573 0.848 1.00 0.00 H new ATOM 1265 N ARG A 80 3.238 7.789 4.629 1.00 0.00 N ATOM 1266 CA ARG A 80 2.598 6.524 4.772 1.00 0.00 C ATOM 1267 C ARG A 80 2.562 6.083 6.203 1.00 0.00 C ATOM 1268 O ARG A 80 1.762 5.254 6.500 1.00 0.00 O ATOM 1269 CB ARG A 80 3.278 5.407 4.013 1.00 0.00 C ATOM 1270 CG ARG A 80 4.766 5.426 4.285 1.00 0.00 C ATOM 1271 CD ARG A 80 5.382 4.091 4.583 1.00 0.00 C ATOM 1272 NE ARG A 80 6.755 4.199 5.100 1.00 0.00 N ATOM 1273 CZ ARG A 80 7.846 4.247 4.355 1.00 0.00 C ATOM 1274 NH1 ARG A 80 7.805 4.143 3.075 1.00 0.00 N ATOM 1275 NH2 ARG A 80 9.039 4.367 4.899 1.00 0.00 N ATOM 0 H ARG A 80 4.097 7.764 4.079 1.00 0.00 H new ATOM 0 HA ARG A 80 1.599 6.690 4.369 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.858 4.446 4.311 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.094 5.518 2.944 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.271 5.855 3.420 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.956 6.091 5.127 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.765 3.566 5.312 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.387 3.488 3.675 1.00 0.00 H new ATOM 0 HE ARG A 80 6.875 4.240 6.112 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.910 4.019 2.602 1.00 0.00 H new ATOM 0 HH12 ARG A 80 8.667 4.185 2.532 1.00 0.00 H new ATOM 0 HH21 ARG A 80 9.134 4.425 5.913 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.869 4.402 4.306 1.00 0.00 H new ATOM 1289 N ASP A 81 3.407 6.592 7.097 1.00 0.00 N ATOM 1290 CA ASP A 81 3.383 6.255 8.521 1.00 0.00 C ATOM 1291 C ASP A 81 1.948 6.198 9.085 1.00 0.00 C ATOM 1292 O ASP A 81 1.619 5.333 9.886 1.00 0.00 O ATOM 1293 CB ASP A 81 4.101 7.373 9.286 1.00 0.00 C ATOM 1294 CG ASP A 81 5.139 6.864 10.273 1.00 0.00 C ATOM 1295 OD1 ASP A 81 4.778 6.045 11.129 1.00 0.00 O ATOM 1296 OD2 ASP A 81 6.316 7.263 10.090 1.00 0.00 O ATOM 0 H ASP A 81 4.138 7.259 6.851 1.00 0.00 H new ATOM 0 HA ASP A 81 3.854 5.279 8.636 1.00 0.00 H new ATOM 0 HB2 ASP A 81 4.586 8.038 8.571 1.00 0.00 H new ATOM 0 HB3 ASP A 81 3.362 7.968 9.823 1.00 0.00 H new ATOM 1301 N GLN A 82 1.073 7.062 8.549 1.00 0.00 N ATOM 1302 CA GLN A 82 -0.356 6.962 8.838 1.00 0.00 C ATOM 1303 C GLN A 82 -1.125 5.967 7.987 1.00 0.00 C ATOM 1304 O GLN A 82 -1.857 5.139 8.522 1.00 0.00 O ATOM 1305 CB GLN A 82 -0.951 8.329 8.665 1.00 0.00 C ATOM 1306 CG GLN A 82 -0.896 9.105 9.980 1.00 0.00 C ATOM 1307 CD GLN A 82 -0.197 10.446 9.856 1.00 0.00 C ATOM 1308 OE1 GLN A 82 -0.810 11.497 9.812 1.00 0.00 O ATOM 1309 NE2 GLN A 82 1.108 10.425 9.745 1.00 0.00 N ATOM 0 H GLN A 82 1.329 7.825 7.923 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.443 6.584 9.857 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -0.409 8.873 7.892 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.984 8.243 8.329 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.911 9.264 10.343 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.381 8.502 10.728 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.609 9.537 9.784 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.623 11.296 9.620 1.00 0.00 H new ATOM 1318 N VAL A 83 -0.935 5.997 6.682 1.00 0.00 N ATOM 1319 CA VAL A 83 -1.549 5.042 5.756 1.00 0.00 C ATOM 1320 C VAL A 83 -1.086 3.628 6.075 1.00 0.00 C ATOM 1321 O VAL A 83 -1.700 2.685 5.626 1.00 0.00 O ATOM 1322 CB VAL A 83 -1.264 5.409 4.300 1.00 0.00 C ATOM 1323 CG1 VAL A 83 -1.282 6.913 4.117 1.00 0.00 C ATOM 1324 CG2 VAL A 83 0.043 4.868 3.808 1.00 0.00 C ATOM 0 H VAL A 83 -0.345 6.690 6.222 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.630 5.086 5.888 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.056 4.949 3.709 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.077 7.155 3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.262 7.302 4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.520 7.366 4.751 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.190 5.161 2.768 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.854 5.268 4.416 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.037 3.780 3.881 1.00 0.00 H new ATOM 1334 N MET A 84 -0.083 3.435 6.904 1.00 0.00 N ATOM 1335 CA MET A 84 0.499 2.161 7.266 1.00 0.00 C ATOM 1336 C MET A 84 -0.395 1.521 8.280 1.00 0.00 C ATOM 1337 O MET A 84 -0.926 0.466 8.002 1.00 0.00 O ATOM 1338 CB MET A 84 1.871 2.379 7.880 1.00 0.00 C ATOM 1339 CG MET A 84 2.949 2.382 6.809 1.00 0.00 C ATOM 1340 SD MET A 84 3.812 0.785 6.789 1.00 0.00 S ATOM 1341 CE MET A 84 4.931 1.060 5.406 1.00 0.00 C ATOM 0 H MET A 84 0.377 4.215 7.373 1.00 0.00 H new ATOM 0 HA MET A 84 0.602 1.529 6.384 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.886 3.326 8.420 1.00 0.00 H new ATOM 0 HB3 MET A 84 2.077 1.594 8.607 1.00 0.00 H new ATOM 0 HG2 MET A 84 2.503 2.575 5.833 1.00 0.00 H new ATOM 0 HG3 MET A 84 3.660 3.186 7.000 1.00 0.00 H new ATOM 0 HE1 MET A 84 5.208 0.102 4.966 1.00 0.00 H new ATOM 0 HE2 MET A 84 4.436 1.675 4.654 1.00 0.00 H new ATOM 0 HE3 MET A 84 5.827 1.570 5.759 1.00 0.00 H new ATOM 1351 N SER A 85 -0.630 2.202 9.408 1.00 0.00 N ATOM 1352 CA SER A 85 -1.518 1.688 10.444 1.00 0.00 C ATOM 1353 C SER A 85 -2.956 1.637 9.932 1.00 0.00 C ATOM 1354 O SER A 85 -3.818 1.097 10.602 1.00 0.00 O ATOM 1355 CB SER A 85 -1.468 2.578 11.688 1.00 0.00 C ATOM 1356 OG SER A 85 -1.269 1.775 12.830 1.00 0.00 O ATOM 0 H SER A 85 -0.215 3.109 9.621 1.00 0.00 H new ATOM 0 HA SER A 85 -1.184 0.684 10.704 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.661 3.305 11.596 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.396 3.142 11.783 1.00 0.00 H new ATOM 0 HG SER A 85 -1.235 2.343 13.628 1.00 0.00 H new ATOM 1362 N MET A 86 -3.231 2.177 8.751 1.00 0.00 N ATOM 1363 CA MET A 86 -4.547 2.161 8.146 1.00 0.00 C ATOM 1364 C MET A 86 -4.641 1.085 7.082 1.00 0.00 C ATOM 1365 O MET A 86 -5.628 0.357 7.025 1.00 0.00 O ATOM 1366 CB MET A 86 -4.783 3.503 7.516 1.00 0.00 C ATOM 1367 CG MET A 86 -4.922 4.610 8.541 1.00 0.00 C ATOM 1368 SD MET A 86 -6.359 4.333 9.605 1.00 0.00 S ATOM 1369 CE MET A 86 -5.609 4.725 11.204 1.00 0.00 C ATOM 0 H MET A 86 -2.528 2.646 8.180 1.00 0.00 H new ATOM 0 HA MET A 86 -5.295 1.949 8.910 1.00 0.00 H new ATOM 0 HB2 MET A 86 -3.956 3.736 6.845 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.686 3.461 6.907 1.00 0.00 H new ATOM 0 HG2 MET A 86 -4.019 4.662 9.150 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.020 5.570 8.034 1.00 0.00 H new ATOM 0 HE1 MET A 86 -6.352 4.609 11.993 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.774 4.049 11.390 1.00 0.00 H new ATOM 0 HE3 MET A 86 -5.248 5.753 11.194 1.00 0.00 H new ATOM 1379 N ALA A 87 -3.560 0.852 6.354 1.00 0.00 N ATOM 1380 CA ALA A 87 -3.481 -0.169 5.338 1.00 0.00 C ATOM 1381 C ALA A 87 -2.957 -1.449 5.965 1.00 0.00 C ATOM 1382 O ALA A 87 -2.360 -2.252 5.286 1.00 0.00 O ATOM 1383 CB ALA A 87 -2.615 0.311 4.179 1.00 0.00 C ATOM 0 H ALA A 87 -2.696 1.384 6.461 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.469 -0.376 4.927 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.562 -0.467 3.418 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.051 1.212 3.747 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.611 0.532 4.542 1.00 0.00 H new ATOM 1389 N HIS A 88 -3.129 -1.636 7.267 1.00 0.00 N ATOM 1390 CA HIS A 88 -2.692 -2.830 7.955 1.00 0.00 C ATOM 1391 C HIS A 88 -3.898 -3.684 8.260 1.00 0.00 C ATOM 1392 O HIS A 88 -3.762 -4.875 8.333 1.00 0.00 O ATOM 1393 CB HIS A 88 -1.930 -2.447 9.213 1.00 0.00 C ATOM 1394 CG HIS A 88 -2.745 -2.263 10.466 1.00 0.00 C ATOM 1395 ND1 HIS A 88 -3.922 -1.575 10.605 1.00 0.00 N flip ATOM 1396 CD2 HIS A 88 -2.443 -2.819 11.692 1.00 0.00 C flip ATOM 1397 CE1 HIS A 88 -4.270 -1.603 11.938 1.00 0.00 C flip ATOM 1398 NE2 HIS A 88 -3.384 -2.407 12.571 1.00 0.00 N flip ATOM 0 H HIS A 88 -3.581 -0.953 7.875 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.013 -3.409 7.329 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.180 -3.215 9.404 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -1.393 -1.519 9.017 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.606 -3.466 11.910 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -5.097 -1.080 12.394 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -3.421 -2.662 13.558 1.00 0.00 H new ATOM 1407 N ASN A 89 -5.063 -3.078 8.470 1.00 0.00 N ATOM 1408 CA ASN A 89 -6.296 -3.773 8.728 1.00 0.00 C ATOM 1409 C ASN A 89 -7.162 -3.741 7.501 1.00 0.00 C ATOM 1410 O ASN A 89 -7.999 -4.585 7.391 1.00 0.00 O ATOM 1411 CB ASN A 89 -7.063 -3.102 9.861 1.00 0.00 C ATOM 1412 CG ASN A 89 -6.657 -3.713 11.185 1.00 0.00 C ATOM 1413 OD1 ASN A 89 -5.411 -4.120 11.291 1.00 0.00 O flip ATOM 1414 ND2 ASN A 89 -7.393 -3.780 12.146 1.00 0.00 N flip ATOM 0 H ASN A 89 -5.166 -2.063 8.463 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.054 -4.800 9.003 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.860 -2.031 9.866 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -8.135 -3.222 9.708 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -8.360 -3.466 12.070 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -7.045 -4.150 13.030 1.00 0.00 H new ATOM 1421 N LEU A 90 -6.965 -2.791 6.588 1.00 0.00 N ATOM 1422 CA LEU A 90 -7.668 -2.772 5.317 1.00 0.00 C ATOM 1423 C LEU A 90 -7.397 -4.034 4.495 1.00 0.00 C ATOM 1424 O LEU A 90 -8.328 -4.682 4.021 1.00 0.00 O ATOM 1425 CB LEU A 90 -7.264 -1.505 4.553 1.00 0.00 C ATOM 1426 CG LEU A 90 -8.104 -0.291 4.918 1.00 0.00 C ATOM 1427 CD1 LEU A 90 -7.442 0.985 4.394 1.00 0.00 C ATOM 1428 CD2 LEU A 90 -9.510 -0.433 4.334 1.00 0.00 C ATOM 0 H LEU A 90 -6.313 -2.016 6.713 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.742 -2.758 5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.215 -1.287 4.754 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.352 -1.691 3.483 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.178 -0.227 6.004 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.052 1.848 4.661 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.452 1.090 4.837 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.350 0.928 3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.105 0.441 4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.447 -0.512 3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.982 -1.329 4.736 1.00 0.00 H new ATOM 1440 N PRO A 91 -6.122 -4.416 4.327 1.00 0.00 N ATOM 1441 CA PRO A 91 -5.762 -5.599 3.604 1.00 0.00 C ATOM 1442 C PRO A 91 -6.035 -6.833 4.436 1.00 0.00 C ATOM 1443 O PRO A 91 -6.386 -7.845 3.880 1.00 0.00 O ATOM 1444 CB PRO A 91 -4.278 -5.493 3.269 1.00 0.00 C ATOM 1445 CG PRO A 91 -3.729 -4.480 4.224 1.00 0.00 C ATOM 1446 CD PRO A 91 -4.928 -3.789 4.834 1.00 0.00 C ATOM 0 HA PRO A 91 -6.353 -5.686 2.692 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.779 -6.455 3.386 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.129 -5.180 2.235 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.121 -4.958 4.993 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.087 -3.765 3.708 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.894 -3.861 5.921 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.922 -2.728 4.584 1.00 0.00 H new ATOM 1454 N ILE A 92 -5.939 -6.777 5.752 1.00 0.00 N ATOM 1455 CA ILE A 92 -6.255 -7.915 6.584 1.00 0.00 C ATOM 1456 C ILE A 92 -7.744 -8.179 6.619 1.00 0.00 C ATOM 1457 O ILE A 92 -8.129 -9.333 6.513 1.00 0.00 O ATOM 1458 CB ILE A 92 -5.719 -7.625 7.979 1.00 0.00 C ATOM 1459 CG1 ILE A 92 -4.231 -7.947 8.053 1.00 0.00 C ATOM 1460 CG2 ILE A 92 -6.529 -8.363 9.049 1.00 0.00 C ATOM 1461 CD1 ILE A 92 -3.782 -8.482 9.402 1.00 0.00 C ATOM 0 H ILE A 92 -5.642 -5.948 6.267 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.792 -8.814 6.177 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.834 -6.560 8.183 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.990 -8.681 7.284 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.663 -7.046 7.823 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.122 -8.136 10.034 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.570 -8.042 9.003 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -6.472 -9.437 8.872 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.712 -8.687 9.374 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.990 -7.742 10.175 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.322 -9.402 9.627 1.00 0.00 H new ATOM 1473 N GLU A 93 -8.558 -7.143 6.750 1.00 0.00 N ATOM 1474 CA GLU A 93 -10.012 -7.270 6.764 1.00 0.00 C ATOM 1475 C GLU A 93 -10.522 -7.811 5.427 1.00 0.00 C ATOM 1476 O GLU A 93 -11.628 -8.324 5.354 1.00 0.00 O ATOM 1477 CB GLU A 93 -10.676 -5.914 7.044 1.00 0.00 C ATOM 1478 CG GLU A 93 -10.747 -5.638 8.553 1.00 0.00 C ATOM 1479 CD GLU A 93 -12.196 -5.434 8.999 1.00 0.00 C ATOM 1480 OE1 GLU A 93 -13.024 -6.326 8.715 1.00 0.00 O ATOM 1481 OE2 GLU A 93 -12.450 -4.388 9.635 1.00 0.00 O ATOM 0 H GLU A 93 -8.229 -6.183 6.850 1.00 0.00 H new ATOM 0 HA GLU A 93 -10.273 -7.969 7.559 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.113 -5.121 6.552 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -11.680 -5.902 6.621 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -10.307 -6.471 9.101 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.159 -4.752 8.794 1.00 0.00 H new ATOM 1488 N CYS A 94 -9.693 -7.714 4.384 1.00 0.00 N ATOM 1489 CA CYS A 94 -10.000 -8.311 3.108 1.00 0.00 C ATOM 1490 C CYS A 94 -9.438 -9.714 3.001 1.00 0.00 C ATOM 1491 O CYS A 94 -9.803 -10.374 2.034 1.00 0.00 O ATOM 1492 CB CYS A 94 -9.464 -7.415 2.007 1.00 0.00 C ATOM 1493 SG CYS A 94 -10.622 -6.119 1.485 1.00 0.00 S ATOM 0 H CYS A 94 -8.801 -7.221 4.412 1.00 0.00 H new ATOM 0 HA CYS A 94 -11.081 -8.402 3.006 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -8.541 -6.947 2.350 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -9.209 -8.030 1.144 1.00 0.00 H new ATOM 1498 N ASN A 95 -8.550 -10.128 3.916 1.00 0.00 N ATOM 1499 CA ASN A 95 -7.904 -11.441 3.969 1.00 0.00 C ATOM 1500 C ASN A 95 -6.676 -11.412 3.033 1.00 0.00 C ATOM 1501 O ASN A 95 -6.280 -12.387 2.417 1.00 0.00 O ATOM 1502 CB ASN A 95 -8.905 -12.523 3.560 1.00 0.00 C ATOM 1503 CG ASN A 95 -8.548 -13.847 4.169 1.00 0.00 C ATOM 1504 OD1 ASN A 95 -9.334 -14.446 4.885 1.00 0.00 O ATOM 1505 ND2 ASN A 95 -7.345 -14.305 3.973 1.00 0.00 N ATOM 0 H ASN A 95 -8.249 -9.521 4.679 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.570 -11.672 4.980 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.908 -12.233 3.875 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -8.925 -12.612 2.474 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.051 -15.173 4.420 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -6.697 -13.795 3.372 1.00 0.00 H new ATOM 1512 N LEU A 96 -6.107 -10.263 2.776 1.00 0.00 N ATOM 1513 CA LEU A 96 -4.992 -10.091 1.887 1.00 0.00 C ATOM 1514 C LEU A 96 -3.756 -10.461 2.664 1.00 0.00 C ATOM 1515 O LEU A 96 -3.100 -11.419 2.309 1.00 0.00 O ATOM 1516 CB LEU A 96 -4.951 -8.699 1.300 1.00 0.00 C ATOM 1517 CG LEU A 96 -6.291 -8.218 0.744 1.00 0.00 C ATOM 1518 CD1 LEU A 96 -6.292 -6.723 0.607 1.00 0.00 C ATOM 1519 CD2 LEU A 96 -6.627 -8.899 -0.573 1.00 0.00 C ATOM 0 H LEU A 96 -6.421 -9.389 3.198 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.076 -10.740 1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.617 -8.002 2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.209 -8.674 0.502 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.072 -8.496 1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.253 -6.395 0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.129 -6.268 1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.496 -6.419 -0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.586 -8.532 -0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.851 -8.677 -1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.685 -9.977 -0.421 1.00 0.00 H new ATOM 1531 N MET A 97 -3.522 -9.812 3.803 1.00 0.00 N ATOM 1532 CA MET A 97 -2.356 -10.068 4.625 1.00 0.00 C ATOM 1533 C MET A 97 -2.735 -10.434 6.037 1.00 0.00 C ATOM 1534 O MET A 97 -1.918 -10.175 6.915 1.00 0.00 O ATOM 1535 CB MET A 97 -1.432 -8.857 4.580 1.00 0.00 C ATOM 1536 CG MET A 97 -1.994 -7.689 5.386 1.00 0.00 C ATOM 1537 SD MET A 97 -0.813 -6.363 5.611 1.00 0.00 S ATOM 1538 CE MET A 97 -0.204 -6.764 7.257 1.00 0.00 C ATOM 0 H MET A 97 -4.141 -9.093 4.177 1.00 0.00 H new ATOM 0 HA MET A 97 -1.824 -10.930 4.222 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.453 -9.132 4.972 1.00 0.00 H new ATOM 0 HB3 MET A 97 -1.286 -8.548 3.545 1.00 0.00 H new ATOM 0 HG2 MET A 97 -2.878 -7.299 4.882 1.00 0.00 H new ATOM 0 HG3 MET A 97 -2.317 -8.050 6.362 1.00 0.00 H new ATOM 0 HE1 MET A 97 0.546 -6.032 7.556 1.00 0.00 H new ATOM 0 HE2 MET A 97 -1.032 -6.745 7.966 1.00 0.00 H new ATOM 0 HE3 MET A 97 0.243 -7.758 7.247 1.00 0.00 H new ATOM 1548 N SER A 98 -3.960 -10.928 6.236 1.00 0.00 N ATOM 1549 CA SER A 98 -4.493 -11.293 7.553 1.00 0.00 C ATOM 1550 C SER A 98 -3.412 -11.814 8.512 1.00 0.00 C ATOM 1551 O SER A 98 -2.907 -11.161 9.424 1.00 0.00 O ATOM 1552 CB SER A 98 -5.599 -12.329 7.458 1.00 0.00 C ATOM 1553 OG SER A 98 -5.240 -13.310 6.508 1.00 0.00 O ATOM 0 H SER A 98 -4.620 -11.088 5.475 1.00 0.00 H new ATOM 0 HA SER A 98 -4.900 -10.366 7.956 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.764 -12.792 8.431 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.536 -11.852 7.169 1.00 0.00 H new ATOM 0 HG SER A 98 -5.952 -13.981 6.446 1.00 0.00 H new ATOM 1559 N GLN A 99 -2.948 -13.009 8.268 1.00 0.00 N ATOM 1560 CA GLN A 99 -1.755 -13.511 8.945 1.00 0.00 C ATOM 1561 C GLN A 99 -1.034 -14.577 8.110 1.00 0.00 C ATOM 1562 O GLN A 99 -0.844 -15.713 8.563 1.00 0.00 O ATOM 1563 CB GLN A 99 -2.272 -14.015 10.266 1.00 0.00 C ATOM 1564 CG GLN A 99 -3.319 -15.123 10.079 1.00 0.00 C ATOM 1565 CD GLN A 99 -3.271 -16.182 11.166 1.00 0.00 C ATOM 1566 OE1 GLN A 99 -2.639 -16.075 12.202 1.00 0.00 O ATOM 1567 NE2 GLN A 99 -4.010 -17.242 10.998 1.00 0.00 N ATOM 0 H GLN A 99 -3.369 -13.663 7.608 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.989 -12.749 9.090 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -1.442 -14.395 10.861 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.712 -13.189 10.824 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -4.313 -14.675 10.061 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.166 -15.599 9.110 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -4.549 -17.357 10.140 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -4.049 -17.957 11.725 1.00 0.00 H new ATOM 1576 N PRO A 100 -0.704 -14.263 6.852 1.00 0.00 N ATOM 1577 CA PRO A 100 -0.057 -15.223 5.963 1.00 0.00 C ATOM 1578 C PRO A 100 1.414 -15.403 6.377 1.00 0.00 C ATOM 1579 O PRO A 100 1.764 -16.435 6.919 1.00 0.00 O ATOM 1580 CB PRO A 100 -0.188 -14.629 4.549 1.00 0.00 C ATOM 1581 CG PRO A 100 -0.498 -13.160 4.734 1.00 0.00 C ATOM 1582 CD PRO A 100 -0.850 -12.978 6.195 1.00 0.00 C ATOM 0 HA PRO A 100 -0.513 -16.212 6.006 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.734 -14.764 3.983 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -0.981 -15.126 3.990 1.00 0.00 H new ATOM 0 HG2 PRO A 100 0.360 -12.545 4.462 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.326 -12.854 4.094 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.196 -12.237 6.656 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.871 -12.610 6.299 1.00 0.00 H new ATOM 1590 N CYS A 101 2.258 -14.417 6.085 1.00 0.00 N ATOM 1591 CA CYS A 101 3.660 -14.487 6.411 1.00 0.00 C ATOM 1592 C CYS A 101 3.799 -14.300 7.915 1.00 0.00 C ATOM 1593 O CYS A 101 3.467 -13.228 8.439 1.00 0.00 O ATOM 1594 CB CYS A 101 4.432 -13.440 5.617 1.00 0.00 C ATOM 1595 SG CYS A 101 3.765 -13.124 3.933 1.00 0.00 S ATOM 0 H CYS A 101 1.980 -13.554 5.617 1.00 0.00 H new ATOM 0 HA CYS A 101 4.083 -15.454 6.139 1.00 0.00 H new ATOM 0 HB2 CYS A 101 4.433 -12.504 6.176 1.00 0.00 H new ATOM 0 HB3 CYS A 101 5.470 -13.760 5.530 1.00 0.00 H new