USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 672 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 67 MET CE :methyl -130:sc= -3.28! (180deg=-3.88!) USER MOD Set 1.2: A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.038 K(o=-0.038,f=-1.7!) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0243 USER MOD Single : A 17 GLN : amide:sc= -0.0535 X(o=-0.053,f=-0.36) USER MOD Single : A 25 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.628 K(o=-0.63,f=-7.9!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0626 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.31) USER MOD Single : A 43 THR OG1 : rot -113:sc= 1.09 USER MOD Single : A 44 GLN : amide:sc= -1.31 X(o=-1.3,f=-0.96) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 127:sc= 1.2 USER MOD Single : A 56 SER OG : rot -158:sc= -0.785 USER MOD Single : A 57 GLN : amide:sc= -1.09 K(o=-1.1,f=-3.3!) USER MOD Single : A 62 SER OG : rot -37:sc= 1.27 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= -0.0501 USER MOD Single : A 80 SER OG : rot 180:sc=-0.00862 USER MOD Single : A 84 MET CE :methyl 139:sc= -0.271 (180deg=-1.47) USER MOD Single : A 85 ASN : amide:sc= -0.439 X(o=-0.44,f=0) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN :FLIP amide:sc= -2.4! C(o=-3.1!,f=-2.4!) USER MOD Single : A 95 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.05) USER MOD ----------------------------------------------------------------- ATOM 148 N ALA A 13 -7.713 3.739 9.561 1.00 0.00 N ATOM 149 CA ALA A 13 -6.429 4.320 9.935 1.00 0.00 C ATOM 150 C ALA A 13 -6.429 5.830 9.725 1.00 0.00 C ATOM 151 O ALA A 13 -7.194 6.355 8.914 1.00 0.00 O ATOM 152 CB ALA A 13 -5.307 3.675 9.136 1.00 0.00 C ATOM 0 HA ALA A 13 -6.264 4.126 10.995 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.354 4.118 9.425 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.286 2.604 9.338 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.476 3.840 8.072 1.00 0.00 H new ATOM 158 N ASN A 14 -5.566 6.524 10.459 1.00 0.00 N ATOM 159 CA ASN A 14 -5.467 7.975 10.352 1.00 0.00 C ATOM 160 C ASN A 14 -4.310 8.377 9.443 1.00 0.00 C ATOM 161 O ASN A 14 -4.446 9.270 8.608 1.00 0.00 O ATOM 162 CB ASN A 14 -5.281 8.597 11.738 1.00 0.00 C ATOM 163 CG ASN A 14 -5.648 10.067 11.765 1.00 0.00 C ATOM 164 OD1 ASN A 14 -6.256 10.585 10.828 1.00 0.00 O ATOM 165 ND2 ASN A 14 -5.280 10.750 12.843 1.00 0.00 N ATOM 0 H ASN A 14 -4.926 6.106 11.134 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.394 8.346 9.915 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.895 8.059 12.460 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.243 8.478 12.050 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.500 11.743 12.917 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.777 10.281 13.597 1.00 0.00 H new ATOM 172 N SER A 15 -3.173 7.710 9.610 1.00 0.00 N ATOM 173 CA SER A 15 -1.992 7.996 8.803 1.00 0.00 C ATOM 174 C SER A 15 -1.835 6.970 7.683 1.00 0.00 C ATOM 175 O SER A 15 -2.336 5.850 7.782 1.00 0.00 O ATOM 176 CB SER A 15 -0.739 8.006 9.681 1.00 0.00 C ATOM 177 OG SER A 15 -0.858 7.087 10.752 1.00 0.00 O ATOM 0 H SER A 15 -3.044 6.967 10.297 1.00 0.00 H new ATOM 0 HA SER A 15 -2.120 8.981 8.353 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.133 7.755 9.078 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.576 9.009 10.075 1.00 0.00 H new ATOM 0 HG SER A 15 -0.044 7.112 11.296 1.00 0.00 H new ATOM 183 N PRO A 16 -1.135 7.342 6.597 1.00 0.00 N ATOM 184 CA PRO A 16 -0.914 6.447 5.456 1.00 0.00 C ATOM 185 C PRO A 16 0.037 5.303 5.793 1.00 0.00 C ATOM 186 O PRO A 16 -0.044 4.224 5.207 1.00 0.00 O ATOM 187 CB PRO A 16 -0.295 7.365 4.400 1.00 0.00 C ATOM 188 CG PRO A 16 0.354 8.456 5.179 1.00 0.00 C ATOM 189 CD PRO A 16 -0.504 8.661 6.397 1.00 0.00 C ATOM 0 HA PRO A 16 -1.836 5.964 5.132 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.431 6.830 3.787 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.054 7.759 3.724 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.371 8.183 5.460 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.420 9.371 4.590 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.090 8.957 7.262 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.247 9.442 6.238 1.00 0.00 H new ATOM 197 N GLN A 17 0.937 5.548 6.739 1.00 0.00 N ATOM 198 CA GLN A 17 1.903 4.538 7.153 1.00 0.00 C ATOM 199 C GLN A 17 1.201 3.324 7.750 1.00 0.00 C ATOM 200 O GLN A 17 1.675 2.194 7.625 1.00 0.00 O ATOM 201 CB GLN A 17 2.883 5.127 8.170 1.00 0.00 C ATOM 202 CG GLN A 17 3.594 6.376 7.676 1.00 0.00 C ATOM 203 CD GLN A 17 3.366 7.574 8.576 1.00 0.00 C ATOM 204 OE1 GLN A 17 3.369 7.454 9.801 1.00 0.00 O ATOM 205 NE2 GLN A 17 3.166 8.740 7.973 1.00 0.00 N ATOM 0 H GLN A 17 1.017 6.437 7.233 1.00 0.00 H new ATOM 0 HA GLN A 17 2.455 4.216 6.270 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.343 5.365 9.087 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.627 4.372 8.425 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.663 6.177 7.607 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.248 6.612 6.670 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.172 8.795 6.954 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.007 9.581 8.528 1.00 0.00 H new ATOM 214 N GLU A 18 0.067 3.564 8.400 1.00 0.00 N ATOM 215 CA GLU A 18 -0.702 2.490 9.018 1.00 0.00 C ATOM 216 C GLU A 18 -1.549 1.759 7.981 1.00 0.00 C ATOM 217 O GLU A 18 -1.707 0.540 8.040 1.00 0.00 O ATOM 218 CB GLU A 18 -1.600 3.048 10.124 1.00 0.00 C ATOM 219 CG GLU A 18 -1.791 2.094 11.292 1.00 0.00 C ATOM 220 CD GLU A 18 -2.912 2.524 12.218 1.00 0.00 C ATOM 221 OE1 GLU A 18 -3.825 3.238 11.752 1.00 0.00 O ATOM 222 OE2 GLU A 18 -2.877 2.148 13.408 1.00 0.00 O ATOM 0 H GLU A 18 -0.340 4.493 8.512 1.00 0.00 H new ATOM 0 HA GLU A 18 0.001 1.779 9.453 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.171 3.980 10.493 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.575 3.291 9.701 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.003 1.095 10.910 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.862 2.028 11.858 1.00 0.00 H new ATOM 229 N ALA A 19 -2.092 2.514 7.030 1.00 0.00 N ATOM 230 CA ALA A 19 -2.923 1.939 5.979 1.00 0.00 C ATOM 231 C ALA A 19 -2.099 1.057 5.048 1.00 0.00 C ATOM 232 O ALA A 19 -2.575 0.029 4.566 1.00 0.00 O ATOM 233 CB ALA A 19 -3.614 3.042 5.191 1.00 0.00 C ATOM 0 H ALA A 19 -1.971 3.525 6.966 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.682 1.314 6.450 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.231 2.599 4.409 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.243 3.629 5.861 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.864 3.690 4.737 1.00 0.00 H new ATOM 239 N LEU A 20 -0.859 1.466 4.797 1.00 0.00 N ATOM 240 CA LEU A 20 0.032 0.713 3.921 1.00 0.00 C ATOM 241 C LEU A 20 0.536 -0.549 4.614 1.00 0.00 C ATOM 242 O LEU A 20 0.621 -1.614 4.001 1.00 0.00 O ATOM 243 CB LEU A 20 1.216 1.582 3.494 1.00 0.00 C ATOM 244 CG LEU A 20 2.132 0.956 2.441 1.00 0.00 C ATOM 245 CD1 LEU A 20 1.499 1.046 1.062 1.00 0.00 C ATOM 246 CD2 LEU A 20 3.494 1.635 2.450 1.00 0.00 C ATOM 0 H LEU A 20 -0.449 2.314 5.188 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.532 0.420 3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.833 2.526 3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.811 1.818 4.376 1.00 0.00 H new ATOM 0 HG LEU A 20 2.271 -0.097 2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.165 0.596 0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.547 0.515 1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.330 2.092 0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.134 1.178 1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.373 2.696 2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.952 1.519 3.432 1.00 0.00 H new ATOM 258 N LEU A 21 0.869 -0.422 5.895 1.00 0.00 N ATOM 259 CA LEU A 21 1.365 -1.553 6.671 1.00 0.00 C ATOM 260 C LEU A 21 0.334 -2.675 6.717 1.00 0.00 C ATOM 261 O LEU A 21 0.662 -3.842 6.506 1.00 0.00 O ATOM 262 CB LEU A 21 1.714 -1.107 8.092 1.00 0.00 C ATOM 263 CG LEU A 21 2.301 -2.201 8.988 1.00 0.00 C ATOM 264 CD1 LEU A 21 3.635 -2.681 8.440 1.00 0.00 C ATOM 265 CD2 LEU A 21 2.459 -1.693 10.413 1.00 0.00 C ATOM 0 H LEU A 21 0.804 0.452 6.417 1.00 0.00 H new ATOM 0 HA LEU A 21 2.264 -1.931 6.184 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.427 -0.285 8.034 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.814 -0.715 8.565 1.00 0.00 H new ATOM 0 HG LEU A 21 1.612 -3.045 8.998 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.037 -3.458 9.090 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.493 -3.084 7.437 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.334 -1.845 8.399 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.877 -2.483 11.037 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.128 -0.832 10.420 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.485 -1.399 10.805 1.00 0.00 H new ATOM 277 N TRP A 22 -0.915 -2.314 6.993 1.00 0.00 N ATOM 278 CA TRP A 22 -1.995 -3.290 7.066 1.00 0.00 C ATOM 279 C TRP A 22 -2.233 -3.940 5.707 1.00 0.00 C ATOM 280 O TRP A 22 -2.626 -5.103 5.625 1.00 0.00 O ATOM 281 CB TRP A 22 -3.280 -2.624 7.559 1.00 0.00 C ATOM 282 CG TRP A 22 -4.157 -3.543 8.355 1.00 0.00 C ATOM 283 CD1 TRP A 22 -4.245 -3.616 9.715 1.00 0.00 C ATOM 284 CD2 TRP A 22 -5.068 -4.520 7.839 1.00 0.00 C ATOM 285 NE1 TRP A 22 -5.156 -4.579 10.077 1.00 0.00 N ATOM 286 CE2 TRP A 22 -5.675 -5.148 8.944 1.00 0.00 C ATOM 287 CE3 TRP A 22 -5.431 -4.924 6.551 1.00 0.00 C ATOM 288 CZ2 TRP A 22 -6.623 -6.157 8.798 1.00 0.00 C ATOM 289 CZ3 TRP A 22 -6.372 -5.926 6.408 1.00 0.00 C ATOM 290 CH2 TRP A 22 -6.959 -6.533 7.526 1.00 0.00 C ATOM 0 H TRP A 22 -1.204 -1.352 7.170 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.703 -4.066 7.773 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.021 -1.760 8.171 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -3.840 -2.251 6.701 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.681 -3.006 10.406 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -5.405 -4.829 11.034 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -4.984 -4.461 5.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -7.077 -6.626 9.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -6.660 -6.247 5.418 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -7.691 -7.313 7.381 1.00 0.00 H new ATOM 301 N ALA A 23 -1.994 -3.179 4.644 1.00 0.00 N ATOM 302 CA ALA A 23 -2.183 -3.680 3.288 1.00 0.00 C ATOM 303 C ALA A 23 -1.150 -4.749 2.949 1.00 0.00 C ATOM 304 O ALA A 23 -1.421 -5.662 2.169 1.00 0.00 O ATOM 305 CB ALA A 23 -2.109 -2.535 2.289 1.00 0.00 C ATOM 0 H ALA A 23 -1.669 -2.213 4.696 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.171 -4.136 3.229 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.252 -2.922 1.280 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.889 -1.807 2.512 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.133 -2.054 2.358 1.00 0.00 H new ATOM 311 N LEU A 24 0.036 -4.629 3.538 1.00 0.00 N ATOM 312 CA LEU A 24 1.109 -5.586 3.297 1.00 0.00 C ATOM 313 C LEU A 24 0.850 -6.893 4.040 1.00 0.00 C ATOM 314 O LEU A 24 1.002 -7.978 3.478 1.00 0.00 O ATOM 315 CB LEU A 24 2.453 -4.997 3.732 1.00 0.00 C ATOM 316 CG LEU A 24 2.901 -3.760 2.950 1.00 0.00 C ATOM 317 CD1 LEU A 24 3.910 -2.958 3.757 1.00 0.00 C ATOM 318 CD2 LEU A 24 3.488 -4.164 1.607 1.00 0.00 C ATOM 0 H LEU A 24 0.278 -3.879 4.185 1.00 0.00 H new ATOM 0 HA LEU A 24 1.141 -5.797 2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.394 -4.738 4.789 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.219 -5.767 3.635 1.00 0.00 H new ATOM 0 HG LEU A 24 2.030 -3.131 2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.218 -2.082 3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.455 -2.639 4.695 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.781 -3.578 3.969 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.801 -3.272 1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.349 -4.813 1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.735 -4.697 1.026 1.00 0.00 H new ATOM 330 N ASN A 25 0.458 -6.782 5.304 1.00 0.00 N ATOM 331 CA ASN A 25 0.178 -7.956 6.124 1.00 0.00 C ATOM 332 C ASN A 25 -1.075 -8.675 5.634 1.00 0.00 C ATOM 333 O ASN A 25 -1.186 -9.896 5.748 1.00 0.00 O ATOM 334 CB ASN A 25 0.007 -7.552 7.589 1.00 0.00 C ATOM 335 CG ASN A 25 1.321 -7.169 8.240 1.00 0.00 C ATOM 336 OD1 ASN A 25 1.929 -7.967 8.954 1.00 0.00 O ATOM 337 ND2 ASN A 25 1.768 -5.943 7.995 1.00 0.00 N ATOM 0 H ASN A 25 0.327 -5.891 5.784 1.00 0.00 H new ATOM 0 HA ASN A 25 1.024 -8.638 6.039 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.685 -6.713 7.653 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.442 -8.378 8.141 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.648 -5.630 8.405 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.231 -5.315 7.397 1.00 0.00 H new ATOM 344 N ASP A 26 -2.015 -7.911 5.088 1.00 0.00 N ATOM 345 CA ASP A 26 -3.260 -8.476 4.581 1.00 0.00 C ATOM 346 C ASP A 26 -2.998 -9.396 3.392 1.00 0.00 C ATOM 347 O ASP A 26 -3.733 -10.356 3.163 1.00 0.00 O ATOM 348 CB ASP A 26 -4.223 -7.359 4.173 1.00 0.00 C ATOM 349 CG ASP A 26 -5.609 -7.880 3.845 1.00 0.00 C ATOM 350 OD1 ASP A 26 -5.971 -8.963 4.351 1.00 0.00 O ATOM 351 OD2 ASP A 26 -6.332 -7.204 3.083 1.00 0.00 O ATOM 0 H ASP A 26 -1.938 -6.899 4.985 1.00 0.00 H new ATOM 0 HA ASP A 26 -3.713 -9.064 5.379 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.294 -6.631 4.981 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.821 -6.835 3.306 1.00 0.00 H new ATOM 356 N LEU A 27 -1.945 -9.095 2.640 1.00 0.00 N ATOM 357 CA LEU A 27 -1.585 -9.895 1.473 1.00 0.00 C ATOM 358 C LEU A 27 -1.327 -11.346 1.866 1.00 0.00 C ATOM 359 O LEU A 27 -0.675 -11.620 2.873 1.00 0.00 O ATOM 360 CB LEU A 27 -0.345 -9.311 0.792 1.00 0.00 C ATOM 361 CG LEU A 27 -0.611 -8.109 -0.116 1.00 0.00 C ATOM 362 CD1 LEU A 27 0.663 -7.305 -0.320 1.00 0.00 C ATOM 363 CD2 LEU A 27 -1.177 -8.565 -1.452 1.00 0.00 C ATOM 0 H LEU A 27 -1.326 -8.304 2.817 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.421 -9.870 0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.368 -9.015 1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.130 -10.095 0.202 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.348 -7.468 0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.456 -6.454 -0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.026 -6.948 0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.422 -7.937 -0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.360 -7.697 -2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.464 -9.228 -1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.113 -9.098 -1.288 1.00 0.00 H new ATOM 375 N GLU A 28 -1.843 -12.271 1.063 1.00 0.00 N ATOM 376 CA GLU A 28 -1.668 -13.695 1.326 1.00 0.00 C ATOM 377 C GLU A 28 -0.323 -14.183 0.803 1.00 0.00 C ATOM 378 O GLU A 28 0.458 -13.409 0.248 1.00 0.00 O ATOM 379 CB GLU A 28 -2.801 -14.496 0.682 1.00 0.00 C ATOM 380 CG GLU A 28 -4.026 -14.638 1.570 1.00 0.00 C ATOM 381 CD GLU A 28 -4.049 -15.953 2.325 1.00 0.00 C ATOM 382 OE1 GLU A 28 -2.962 -16.518 2.567 1.00 0.00 O ATOM 383 OE2 GLU A 28 -5.154 -16.417 2.676 1.00 0.00 O ATOM 0 H GLU A 28 -2.385 -12.060 0.225 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.693 -13.846 2.405 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.092 -14.012 -0.250 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.432 -15.489 0.424 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.051 -13.814 2.283 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.925 -14.558 0.958 1.00 0.00 H new ATOM 390 N GLU A 29 -0.055 -15.472 0.982 1.00 0.00 N ATOM 391 CA GLU A 29 1.197 -16.065 0.528 1.00 0.00 C ATOM 392 C GLU A 29 1.260 -16.108 -0.996 1.00 0.00 C ATOM 393 O GLU A 29 2.338 -16.027 -1.585 1.00 0.00 O ATOM 394 CB GLU A 29 1.353 -17.477 1.096 1.00 0.00 C ATOM 395 CG GLU A 29 2.784 -17.830 1.464 1.00 0.00 C ATOM 396 CD GLU A 29 2.881 -19.121 2.253 1.00 0.00 C ATOM 397 OE1 GLU A 29 2.218 -20.105 1.865 1.00 0.00 O ATOM 398 OE2 GLU A 29 3.621 -19.147 3.260 1.00 0.00 O ATOM 0 H GLU A 29 -0.689 -16.127 1.439 1.00 0.00 H new ATOM 0 HA GLU A 29 2.015 -15.442 0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.724 -17.575 1.981 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.987 -18.197 0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.378 -17.919 0.554 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.216 -17.018 2.049 1.00 0.00 H new ATOM 405 N ASN A 30 0.099 -16.237 -1.628 1.00 0.00 N ATOM 406 CA ASN A 30 0.023 -16.293 -3.083 1.00 0.00 C ATOM 407 C ASN A 30 0.134 -14.897 -3.690 1.00 0.00 C ATOM 408 O ASN A 30 0.635 -14.731 -4.802 1.00 0.00 O ATOM 409 CB ASN A 30 -1.288 -16.948 -3.522 1.00 0.00 C ATOM 410 CG ASN A 30 -2.503 -16.265 -2.926 1.00 0.00 C ATOM 411 OD1 ASN A 30 -2.604 -16.104 -1.710 1.00 0.00 O ATOM 412 ND2 ASN A 30 -3.435 -15.861 -3.782 1.00 0.00 N ATOM 0 H ASN A 30 -0.802 -16.305 -1.156 1.00 0.00 H new ATOM 0 HA ASN A 30 0.860 -16.893 -3.441 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.357 -16.923 -4.610 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.283 -17.997 -3.227 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.276 -15.397 -3.439 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.310 -16.015 -4.782 1.00 0.00 H new ATOM 419 N SER A 31 -0.337 -13.896 -2.954 1.00 0.00 N ATOM 420 CA SER A 31 -0.290 -12.516 -3.421 1.00 0.00 C ATOM 421 C SER A 31 1.052 -11.872 -3.091 1.00 0.00 C ATOM 422 O SER A 31 1.604 -11.118 -3.893 1.00 0.00 O ATOM 423 CB SER A 31 -1.426 -11.705 -2.794 1.00 0.00 C ATOM 424 OG SER A 31 -2.652 -12.414 -2.850 1.00 0.00 O ATOM 0 H SER A 31 -0.756 -14.015 -2.032 1.00 0.00 H new ATOM 0 HA SER A 31 -0.411 -12.522 -4.504 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.183 -11.475 -1.757 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.529 -10.754 -3.316 1.00 0.00 H new ATOM 0 HG SER A 31 -3.361 -11.875 -2.441 1.00 0.00 H new ATOM 430 N PHE A 32 1.572 -12.172 -1.906 1.00 0.00 N ATOM 431 CA PHE A 32 2.851 -11.621 -1.470 1.00 0.00 C ATOM 432 C PHE A 32 3.997 -12.168 -2.315 1.00 0.00 C ATOM 433 O PHE A 32 4.980 -11.472 -2.570 1.00 0.00 O ATOM 434 CB PHE A 32 3.092 -11.943 0.006 1.00 0.00 C ATOM 435 CG PHE A 32 3.979 -10.949 0.699 1.00 0.00 C ATOM 436 CD1 PHE A 32 3.760 -9.588 0.559 1.00 0.00 C ATOM 437 CD2 PHE A 32 5.034 -11.376 1.491 1.00 0.00 C ATOM 438 CE1 PHE A 32 4.574 -8.671 1.195 1.00 0.00 C ATOM 439 CE2 PHE A 32 5.852 -10.463 2.129 1.00 0.00 C ATOM 440 CZ PHE A 32 5.623 -9.109 1.981 1.00 0.00 C ATOM 0 H PHE A 32 1.128 -12.793 -1.230 1.00 0.00 H new ATOM 0 HA PHE A 32 2.814 -10.539 -1.598 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.133 -11.984 0.522 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.539 -12.934 0.085 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.943 -9.240 -0.055 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.218 -12.433 1.611 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.391 -7.613 1.078 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.670 -10.808 2.743 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.262 -8.394 2.478 1.00 0.00 H new ATOM 450 N LYS A 33 3.864 -13.417 -2.747 1.00 0.00 N ATOM 451 CA LYS A 33 4.889 -14.057 -3.563 1.00 0.00 C ATOM 452 C LYS A 33 5.041 -13.345 -4.905 1.00 0.00 C ATOM 453 O LYS A 33 6.082 -12.755 -5.191 1.00 0.00 O ATOM 454 CB LYS A 33 4.544 -15.532 -3.787 1.00 0.00 C ATOM 455 CG LYS A 33 5.453 -16.490 -3.034 1.00 0.00 C ATOM 456 CD LYS A 33 5.347 -17.904 -3.582 1.00 0.00 C ATOM 457 CE LYS A 33 5.455 -18.939 -2.475 1.00 0.00 C ATOM 458 NZ LYS A 33 5.178 -20.315 -2.973 1.00 0.00 N ATOM 0 H LYS A 33 3.056 -14.007 -2.546 1.00 0.00 H new ATOM 0 HA LYS A 33 5.838 -13.991 -3.030 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.513 -15.706 -3.480 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.601 -15.752 -4.853 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.485 -16.147 -3.106 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.190 -16.488 -1.976 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.397 -18.024 -4.102 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.135 -18.071 -4.316 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.454 -18.904 -2.041 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.753 -18.693 -1.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.262 -20.992 -2.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.215 -20.355 -3.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.864 -20.560 -3.716 1.00 0.00 H new ATOM 472 N THR A 34 3.995 -13.408 -5.723 1.00 0.00 N ATOM 473 CA THR A 34 4.012 -12.771 -7.035 1.00 0.00 C ATOM 474 C THR A 34 4.257 -11.269 -6.912 1.00 0.00 C ATOM 475 O THR A 34 4.843 -10.651 -7.800 1.00 0.00 O ATOM 476 CB THR A 34 2.690 -13.024 -7.763 1.00 0.00 C ATOM 477 OG1 THR A 34 2.127 -14.261 -7.364 1.00 0.00 O ATOM 478 CG2 THR A 34 2.833 -13.049 -9.269 1.00 0.00 C ATOM 0 H THR A 34 3.126 -13.893 -5.501 1.00 0.00 H new ATOM 0 HA THR A 34 4.828 -13.207 -7.611 1.00 0.00 H new ATOM 0 HB THR A 34 2.044 -12.190 -7.489 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.282 -14.404 -7.839 1.00 0.00 H new ATOM 0 HG21 THR A 34 1.860 -13.233 -9.724 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.220 -12.090 -9.614 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.523 -13.843 -9.556 1.00 0.00 H new ATOM 486 N LEU A 35 3.801 -10.689 -5.806 1.00 0.00 N ATOM 487 CA LEU A 35 3.970 -9.260 -5.568 1.00 0.00 C ATOM 488 C LEU A 35 5.418 -8.929 -5.222 1.00 0.00 C ATOM 489 O LEU A 35 5.951 -7.907 -5.654 1.00 0.00 O ATOM 490 CB LEU A 35 3.047 -8.799 -4.439 1.00 0.00 C ATOM 491 CG LEU A 35 3.116 -7.304 -4.116 1.00 0.00 C ATOM 492 CD1 LEU A 35 1.989 -6.556 -4.811 1.00 0.00 C ATOM 493 CD2 LEU A 35 3.060 -7.077 -2.612 1.00 0.00 C ATOM 0 H LEU A 35 3.312 -11.186 -5.061 1.00 0.00 H new ATOM 0 HA LEU A 35 3.707 -8.733 -6.485 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.020 -9.051 -4.704 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.291 -9.362 -3.538 1.00 0.00 H new ATOM 0 HG LEU A 35 4.066 -6.917 -4.485 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.054 -5.495 -4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.075 -6.689 -5.889 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.030 -6.947 -4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.110 -6.008 -2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.127 -7.480 -2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.902 -7.580 -2.137 1.00 0.00 H new ATOM 505 N LYS A 36 6.049 -9.798 -4.439 1.00 0.00 N ATOM 506 CA LYS A 36 7.436 -9.597 -4.031 1.00 0.00 C ATOM 507 C LYS A 36 8.345 -9.422 -5.246 1.00 0.00 C ATOM 508 O LYS A 36 9.066 -8.431 -5.358 1.00 0.00 O ATOM 509 CB LYS A 36 7.917 -10.777 -3.181 1.00 0.00 C ATOM 510 CG LYS A 36 8.146 -10.420 -1.722 1.00 0.00 C ATOM 511 CD LYS A 36 9.464 -9.688 -1.528 1.00 0.00 C ATOM 512 CE LYS A 36 9.832 -9.582 -0.057 1.00 0.00 C ATOM 513 NZ LYS A 36 9.219 -8.387 0.585 1.00 0.00 N ATOM 0 H LYS A 36 5.622 -10.649 -4.074 1.00 0.00 H new ATOM 0 HA LYS A 36 7.483 -8.686 -3.434 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.182 -11.580 -3.239 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.845 -11.163 -3.602 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.326 -9.796 -1.366 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.141 -11.328 -1.119 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.255 -10.212 -2.065 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.394 -8.689 -1.959 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.505 -10.482 0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.916 -9.532 0.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.495 -8.352 1.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.550 -7.526 0.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.183 -8.447 0.513 1.00 0.00 H new ATOM 527 N PHE A 37 8.304 -10.392 -6.154 1.00 0.00 N ATOM 528 CA PHE A 37 9.123 -10.344 -7.360 1.00 0.00 C ATOM 529 C PHE A 37 8.803 -9.103 -8.188 1.00 0.00 C ATOM 530 O PHE A 37 9.655 -8.593 -8.915 1.00 0.00 O ATOM 531 CB PHE A 37 8.905 -11.607 -8.198 1.00 0.00 C ATOM 532 CG PHE A 37 10.104 -12.512 -8.240 1.00 0.00 C ATOM 533 CD1 PHE A 37 11.252 -12.132 -8.915 1.00 0.00 C ATOM 534 CD2 PHE A 37 10.081 -13.743 -7.605 1.00 0.00 C ATOM 535 CE1 PHE A 37 12.356 -12.962 -8.956 1.00 0.00 C ATOM 536 CE2 PHE A 37 11.181 -14.578 -7.641 1.00 0.00 C ATOM 537 CZ PHE A 37 12.320 -14.187 -8.318 1.00 0.00 C ATOM 0 H PHE A 37 7.713 -11.220 -6.078 1.00 0.00 H new ATOM 0 HA PHE A 37 10.169 -10.293 -7.059 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.056 -12.159 -7.794 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.642 -11.318 -9.215 1.00 0.00 H new ATOM 0 HD1 PHE A 37 11.285 -11.175 -9.415 1.00 0.00 H new ATOM 0 HD2 PHE A 37 9.192 -14.054 -7.075 1.00 0.00 H new ATOM 0 HE1 PHE A 37 13.245 -12.654 -9.486 1.00 0.00 H new ATOM 0 HE2 PHE A 37 11.151 -15.535 -7.141 1.00 0.00 H new ATOM 0 HZ PHE A 37 13.181 -14.838 -8.349 1.00 0.00 H new ATOM 547 N HIS A 38 7.568 -8.623 -8.075 1.00 0.00 N ATOM 548 CA HIS A 38 7.135 -7.442 -8.813 1.00 0.00 C ATOM 549 C HIS A 38 7.691 -6.167 -8.186 1.00 0.00 C ATOM 550 O HIS A 38 7.883 -5.162 -8.870 1.00 0.00 O ATOM 551 CB HIS A 38 5.608 -7.377 -8.860 1.00 0.00 C ATOM 552 CG HIS A 38 5.012 -8.105 -10.024 1.00 0.00 C ATOM 553 ND1 HIS A 38 5.563 -8.115 -11.285 1.00 0.00 N ATOM 554 CD2 HIS A 38 3.886 -8.860 -10.100 1.00 0.00 C ATOM 555 CE1 HIS A 38 4.774 -8.859 -12.073 1.00 0.00 C ATOM 556 NE2 HIS A 38 3.743 -9.335 -11.402 1.00 0.00 N ATOM 0 H HIS A 38 6.850 -9.034 -7.479 1.00 0.00 H new ATOM 0 HA HIS A 38 7.522 -7.520 -9.829 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.206 -7.795 -7.937 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.298 -6.333 -8.898 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.210 -9.060 -9.282 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.958 -9.045 -13.121 1.00 0.00 H new ATOM 0 HE2 HIS A 38 2.995 -9.928 -11.762 1.00 0.00 H new ATOM 564 N LEU A 39 7.948 -6.213 -6.882 1.00 0.00 N ATOM 565 CA LEU A 39 8.481 -5.060 -6.165 1.00 0.00 C ATOM 566 C LEU A 39 9.791 -4.586 -6.788 1.00 0.00 C ATOM 567 O LEU A 39 10.052 -3.386 -6.868 1.00 0.00 O ATOM 568 CB LEU A 39 8.699 -5.403 -4.690 1.00 0.00 C ATOM 569 CG LEU A 39 7.421 -5.576 -3.868 1.00 0.00 C ATOM 570 CD1 LEU A 39 7.738 -6.177 -2.508 1.00 0.00 C ATOM 571 CD2 LEU A 39 6.707 -4.242 -3.710 1.00 0.00 C ATOM 0 H LEU A 39 7.796 -7.037 -6.300 1.00 0.00 H new ATOM 0 HA LEU A 39 7.752 -4.253 -6.239 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.279 -6.324 -4.629 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.301 -4.616 -4.235 1.00 0.00 H new ATOM 0 HG LEU A 39 6.759 -6.261 -4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.816 -6.293 -1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.207 -7.152 -2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.418 -5.518 -1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.800 -4.382 -3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.363 -3.536 -3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.446 -3.850 -4.693 1.00 0.00 H new ATOM 583 N ARG A 40 10.610 -5.535 -7.225 1.00 0.00 N ATOM 584 CA ARG A 40 11.894 -5.214 -7.839 1.00 0.00 C ATOM 585 C ARG A 40 11.708 -4.738 -9.277 1.00 0.00 C ATOM 586 O ARG A 40 12.488 -3.931 -9.779 1.00 0.00 O ATOM 587 CB ARG A 40 12.816 -6.433 -7.808 1.00 0.00 C ATOM 588 CG ARG A 40 14.245 -6.125 -8.227 1.00 0.00 C ATOM 589 CD ARG A 40 14.854 -7.272 -9.018 1.00 0.00 C ATOM 590 NE ARG A 40 15.725 -8.105 -8.192 1.00 0.00 N ATOM 591 CZ ARG A 40 16.545 -9.032 -8.680 1.00 0.00 C ATOM 592 NH1 ARG A 40 16.610 -9.249 -9.989 1.00 0.00 N ATOM 593 NH2 ARG A 40 17.304 -9.745 -7.860 1.00 0.00 N ATOM 0 H ARG A 40 10.409 -6.533 -7.166 1.00 0.00 H new ATOM 0 HA ARG A 40 12.350 -4.407 -7.266 1.00 0.00 H new ATOM 0 HB2 ARG A 40 12.823 -6.848 -6.800 1.00 0.00 H new ATOM 0 HB3 ARG A 40 12.411 -7.202 -8.466 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.261 -5.217 -8.830 1.00 0.00 H new ATOM 0 HG3 ARG A 40 14.851 -5.930 -7.342 1.00 0.00 H new ATOM 0 HD2 ARG A 40 14.057 -7.886 -9.438 1.00 0.00 H new ATOM 0 HD3 ARG A 40 15.424 -6.872 -9.857 1.00 0.00 H new ATOM 0 HE ARG A 40 15.703 -7.968 -7.182 1.00 0.00 H new ATOM 0 HH11 ARG A 40 16.029 -8.703 -10.626 1.00 0.00 H new ATOM 0 HH12 ARG A 40 17.241 -9.961 -10.357 1.00 0.00 H new ATOM 0 HH21 ARG A 40 17.260 -9.583 -6.854 1.00 0.00 H new ATOM 0 HH22 ARG A 40 17.932 -10.456 -8.235 1.00 0.00 H new ATOM 607 N ASP A 41 10.670 -5.247 -9.934 1.00 0.00 N ATOM 608 CA ASP A 41 10.383 -4.874 -11.314 1.00 0.00 C ATOM 609 C ASP A 41 9.777 -3.476 -11.388 1.00 0.00 C ATOM 610 O ASP A 41 10.137 -2.677 -12.253 1.00 0.00 O ATOM 611 CB ASP A 41 9.433 -5.889 -11.951 1.00 0.00 C ATOM 612 CG ASP A 41 10.172 -6.997 -12.676 1.00 0.00 C ATOM 613 OD1 ASP A 41 10.913 -7.750 -12.011 1.00 0.00 O ATOM 614 OD2 ASP A 41 10.010 -7.110 -13.910 1.00 0.00 O ATOM 0 H ASP A 41 10.015 -5.918 -9.533 1.00 0.00 H new ATOM 0 HA ASP A 41 11.323 -4.870 -11.865 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.799 -6.324 -11.178 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.775 -5.376 -12.652 1.00 0.00 H new ATOM 619 N VAL A 42 8.854 -3.187 -10.476 1.00 0.00 N ATOM 620 CA VAL A 42 8.197 -1.886 -10.439 1.00 0.00 C ATOM 621 C VAL A 42 9.152 -0.798 -9.960 1.00 0.00 C ATOM 622 O VAL A 42 9.104 0.337 -10.435 1.00 0.00 O ATOM 623 CB VAL A 42 6.959 -1.906 -9.523 1.00 0.00 C ATOM 624 CG1 VAL A 42 5.902 -2.852 -10.073 1.00 0.00 C ATOM 625 CG2 VAL A 42 7.349 -2.297 -8.104 1.00 0.00 C ATOM 0 H VAL A 42 8.544 -3.836 -9.753 1.00 0.00 H new ATOM 0 HA VAL A 42 7.882 -1.665 -11.459 1.00 0.00 H new ATOM 0 HB VAL A 42 6.535 -0.902 -9.495 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.035 -2.853 -9.412 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.600 -2.522 -11.067 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.312 -3.860 -10.134 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.461 -2.306 -7.472 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.799 -3.290 -8.111 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.066 -1.576 -7.712 1.00 0.00 H new ATOM 635 N THR A 43 10.020 -1.151 -9.017 1.00 0.00 N ATOM 636 CA THR A 43 10.986 -0.203 -8.475 1.00 0.00 C ATOM 637 C THR A 43 12.162 -0.015 -9.429 1.00 0.00 C ATOM 638 O THR A 43 12.298 1.030 -10.065 1.00 0.00 O ATOM 639 CB THR A 43 11.492 -0.678 -7.113 1.00 0.00 C ATOM 640 OG1 THR A 43 12.108 -1.951 -7.223 1.00 0.00 O ATOM 641 CG2 THR A 43 10.400 -0.785 -6.072 1.00 0.00 C ATOM 0 H THR A 43 10.074 -2.086 -8.613 1.00 0.00 H new ATOM 0 HA THR A 43 10.483 0.756 -8.354 1.00 0.00 H new ATOM 0 HB THR A 43 12.205 0.080 -6.790 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.569 -2.617 -6.748 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.828 -1.127 -5.130 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.938 0.192 -5.927 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.646 -1.497 -6.408 1.00 0.00 H new ATOM 649 N GLN A 44 13.008 -1.036 -9.524 1.00 0.00 N ATOM 650 CA GLN A 44 14.173 -0.984 -10.400 1.00 0.00 C ATOM 651 C GLN A 44 15.105 0.154 -9.997 1.00 0.00 C ATOM 652 O GLN A 44 15.706 0.808 -10.849 1.00 0.00 O ATOM 653 CB GLN A 44 13.735 -0.809 -11.855 1.00 0.00 C ATOM 654 CG GLN A 44 13.022 -2.023 -12.428 1.00 0.00 C ATOM 655 CD GLN A 44 12.314 -1.721 -13.734 1.00 0.00 C ATOM 656 OE1 GLN A 44 12.534 -2.392 -14.741 1.00 0.00 O ATOM 657 NE2 GLN A 44 11.458 -0.706 -13.722 1.00 0.00 N ATOM 0 H GLN A 44 12.909 -1.909 -9.005 1.00 0.00 H new ATOM 0 HA GLN A 44 14.714 -1.925 -10.301 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.075 0.056 -11.925 1.00 0.00 H new ATOM 0 HB3 GLN A 44 14.611 -0.592 -12.465 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.745 -2.823 -12.588 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.296 -2.390 -11.702 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.307 -0.177 -12.863 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.952 -0.456 -14.571 1.00 0.00 H new ATOM 666 N PHE A 45 15.221 0.384 -8.694 1.00 0.00 N ATOM 667 CA PHE A 45 16.080 1.444 -8.177 1.00 0.00 C ATOM 668 C PHE A 45 17.517 0.955 -8.024 1.00 0.00 C ATOM 669 O PHE A 45 18.416 1.410 -8.732 1.00 0.00 O ATOM 670 CB PHE A 45 15.554 1.946 -6.831 1.00 0.00 C ATOM 671 CG PHE A 45 16.205 3.216 -6.368 1.00 0.00 C ATOM 672 CD1 PHE A 45 15.964 4.413 -7.024 1.00 0.00 C ATOM 673 CD2 PHE A 45 17.059 3.216 -5.277 1.00 0.00 C ATOM 674 CE1 PHE A 45 16.562 5.585 -6.600 1.00 0.00 C ATOM 675 CE2 PHE A 45 17.661 4.383 -4.848 1.00 0.00 C ATOM 676 CZ PHE A 45 17.411 5.570 -5.510 1.00 0.00 C ATOM 0 H PHE A 45 14.731 -0.149 -7.976 1.00 0.00 H new ATOM 0 HA PHE A 45 16.069 2.266 -8.893 1.00 0.00 H new ATOM 0 HB2 PHE A 45 14.478 2.106 -6.907 1.00 0.00 H new ATOM 0 HB3 PHE A 45 15.709 1.173 -6.079 1.00 0.00 H new ATOM 0 HD1 PHE A 45 15.301 4.430 -7.876 1.00 0.00 H new ATOM 0 HD2 PHE A 45 17.257 2.291 -4.755 1.00 0.00 H new ATOM 0 HE1 PHE A 45 16.366 6.511 -7.120 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.326 4.368 -3.997 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.878 6.484 -5.176 1.00 0.00 H new ATOM 686 N HIS A 46 17.727 0.027 -7.097 1.00 0.00 N ATOM 687 CA HIS A 46 19.055 -0.523 -6.853 1.00 0.00 C ATOM 688 C HIS A 46 18.981 -1.751 -5.952 1.00 0.00 C ATOM 689 O HIS A 46 19.879 -1.996 -5.146 1.00 0.00 O ATOM 690 CB HIS A 46 19.958 0.536 -6.219 1.00 0.00 C ATOM 691 CG HIS A 46 21.387 0.446 -6.661 1.00 0.00 C ATOM 692 ND1 HIS A 46 21.879 1.054 -7.794 1.00 0.00 N ATOM 693 CD2 HIS A 46 22.438 -0.199 -6.094 1.00 0.00 C ATOM 694 CE1 HIS A 46 23.185 0.765 -7.881 1.00 0.00 C ATOM 695 NE2 HIS A 46 23.574 0.008 -6.872 1.00 0.00 N ATOM 0 H HIS A 46 16.994 -0.360 -6.502 1.00 0.00 H new ATOM 0 HA HIS A 46 19.477 -0.825 -7.811 1.00 0.00 H new ATOM 0 HB2 HIS A 46 19.572 1.525 -6.464 1.00 0.00 H new ATOM 0 HB3 HIS A 46 19.915 0.437 -5.134 1.00 0.00 H new ATOM 0 HD2 HIS A 46 22.399 -0.780 -5.184 1.00 0.00 H new ATOM 0 HE1 HIS A 46 23.834 1.107 -8.673 1.00 0.00 H new ATOM 0 HE2 HIS A 46 24.513 -0.351 -6.698 1.00 0.00 H new ATOM 703 N LEU A 47 17.905 -2.519 -6.092 1.00 0.00 N ATOM 704 CA LEU A 47 17.715 -3.722 -5.290 1.00 0.00 C ATOM 705 C LEU A 47 17.740 -4.970 -6.167 1.00 0.00 C ATOM 706 O LEU A 47 16.985 -5.076 -7.133 1.00 0.00 O ATOM 707 CB LEU A 47 16.392 -3.648 -4.526 1.00 0.00 C ATOM 708 CG LEU A 47 16.089 -2.289 -3.885 1.00 0.00 C ATOM 709 CD1 LEU A 47 14.975 -1.579 -4.638 1.00 0.00 C ATOM 710 CD2 LEU A 47 15.720 -2.458 -2.419 1.00 0.00 C ATOM 0 H LEU A 47 17.152 -2.330 -6.753 1.00 0.00 H new ATOM 0 HA LEU A 47 18.536 -3.785 -4.575 1.00 0.00 H new ATOM 0 HB2 LEU A 47 15.581 -3.899 -5.209 1.00 0.00 H new ATOM 0 HB3 LEU A 47 16.398 -4.408 -3.745 1.00 0.00 H new ATOM 0 HG LEU A 47 16.988 -1.675 -3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.774 -0.616 -4.168 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.278 -1.421 -5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.073 -2.190 -4.614 1.00 0.00 H new ATOM 0 HD21 LEU A 47 15.509 -1.482 -1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 47 14.837 -3.091 -2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 47 16.550 -2.922 -1.886 1.00 0.00 H new ATOM 722 N ALA A 48 18.615 -5.910 -5.824 1.00 0.00 N ATOM 723 CA ALA A 48 18.739 -7.150 -6.581 1.00 0.00 C ATOM 724 C ALA A 48 19.758 -8.087 -5.940 1.00 0.00 C ATOM 725 O ALA A 48 19.563 -9.302 -5.906 1.00 0.00 O ATOM 726 CB ALA A 48 19.129 -6.854 -8.021 1.00 0.00 C ATOM 0 H ALA A 48 19.248 -5.837 -5.028 1.00 0.00 H new ATOM 0 HA ALA A 48 17.769 -7.648 -6.572 1.00 0.00 H new ATOM 0 HB1 ALA A 48 19.218 -7.789 -8.574 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.365 -6.230 -8.484 1.00 0.00 H new ATOM 0 HB3 ALA A 48 20.085 -6.330 -8.039 1.00 0.00 H new ATOM 732 N ARG A 49 20.845 -7.514 -5.431 1.00 0.00 N ATOM 733 CA ARG A 49 21.897 -8.298 -4.791 1.00 0.00 C ATOM 734 C ARG A 49 21.330 -9.162 -3.668 1.00 0.00 C ATOM 735 O ARG A 49 21.622 -10.355 -3.583 1.00 0.00 O ATOM 736 CB ARG A 49 22.985 -7.374 -4.239 1.00 0.00 C ATOM 737 CG ARG A 49 23.755 -6.630 -5.318 1.00 0.00 C ATOM 738 CD ARG A 49 25.258 -6.763 -5.127 1.00 0.00 C ATOM 739 NE ARG A 49 25.713 -8.139 -5.311 1.00 0.00 N ATOM 740 CZ ARG A 49 26.883 -8.598 -4.872 1.00 0.00 C ATOM 741 NH1 ARG A 49 27.718 -7.797 -4.223 1.00 0.00 N ATOM 742 NH2 ARG A 49 27.218 -9.864 -5.081 1.00 0.00 N ATOM 0 H ARG A 49 21.020 -6.509 -5.449 1.00 0.00 H new ATOM 0 HA ARG A 49 22.333 -8.955 -5.543 1.00 0.00 H new ATOM 0 HB2 ARG A 49 22.528 -6.649 -3.565 1.00 0.00 H new ATOM 0 HB3 ARG A 49 23.684 -7.963 -3.646 1.00 0.00 H new ATOM 0 HG2 ARG A 49 23.477 -7.018 -6.298 1.00 0.00 H new ATOM 0 HG3 ARG A 49 23.478 -5.576 -5.302 1.00 0.00 H new ATOM 0 HD2 ARG A 49 25.772 -6.113 -5.835 1.00 0.00 H new ATOM 0 HD3 ARG A 49 25.528 -6.422 -4.127 1.00 0.00 H new ATOM 0 HE ARG A 49 25.098 -8.786 -5.805 1.00 0.00 H new ATOM 0 HH11 ARG A 49 27.465 -6.823 -4.058 1.00 0.00 H new ATOM 0 HH12 ARG A 49 28.613 -8.155 -3.889 1.00 0.00 H new ATOM 0 HH21 ARG A 49 26.579 -10.485 -5.578 1.00 0.00 H new ATOM 0 HH22 ARG A 49 28.114 -10.217 -4.745 1.00 0.00 H new ATOM 756 N GLY A 50 20.521 -8.552 -2.808 1.00 0.00 N ATOM 757 CA GLY A 50 19.929 -9.283 -1.703 1.00 0.00 C ATOM 758 C GLY A 50 19.200 -8.376 -0.731 1.00 0.00 C ATOM 759 O GLY A 50 19.329 -8.526 0.483 1.00 0.00 O ATOM 0 H GLY A 50 20.265 -7.566 -2.856 1.00 0.00 H new ATOM 0 HA2 GLY A 50 19.233 -10.025 -2.094 1.00 0.00 H new ATOM 0 HA3 GLY A 50 20.710 -9.827 -1.172 1.00 0.00 H new ATOM 763 N GLU A 51 18.433 -7.432 -1.267 1.00 0.00 N ATOM 764 CA GLU A 51 17.680 -6.498 -0.439 1.00 0.00 C ATOM 765 C GLU A 51 16.182 -6.770 -0.533 1.00 0.00 C ATOM 766 O GLU A 51 15.439 -6.547 0.422 1.00 0.00 O ATOM 767 CB GLU A 51 17.976 -5.058 -0.862 1.00 0.00 C ATOM 768 CG GLU A 51 19.181 -4.453 -0.160 1.00 0.00 C ATOM 769 CD GLU A 51 19.364 -2.982 -0.479 1.00 0.00 C ATOM 770 OE1 GLU A 51 18.344 -2.268 -0.593 1.00 0.00 O ATOM 771 OE2 GLU A 51 20.524 -2.543 -0.614 1.00 0.00 O ATOM 0 H GLU A 51 18.317 -7.294 -2.271 1.00 0.00 H new ATOM 0 HA GLU A 51 17.991 -6.638 0.596 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.142 -5.031 -1.939 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.100 -4.441 -0.659 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.069 -4.576 0.917 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.078 -4.999 -0.452 1.00 0.00 H new ATOM 778 N LEU A 52 15.746 -7.253 -1.692 1.00 0.00 N ATOM 779 CA LEU A 52 14.335 -7.554 -1.912 1.00 0.00 C ATOM 780 C LEU A 52 13.852 -8.633 -0.948 1.00 0.00 C ATOM 781 O LEU A 52 12.916 -8.418 -0.178 1.00 0.00 O ATOM 782 CB LEU A 52 14.109 -8.005 -3.356 1.00 0.00 C ATOM 783 CG LEU A 52 12.663 -8.367 -3.703 1.00 0.00 C ATOM 784 CD1 LEU A 52 11.814 -7.111 -3.819 1.00 0.00 C ATOM 785 CD2 LEU A 52 12.610 -9.170 -4.993 1.00 0.00 C ATOM 0 H LEU A 52 16.348 -7.444 -2.493 1.00 0.00 H new ATOM 0 HA LEU A 52 13.762 -6.646 -1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 52 14.439 -7.210 -4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.742 -8.870 -3.553 1.00 0.00 H new ATOM 0 HG LEU A 52 12.258 -8.982 -2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.789 -7.386 -4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 52 11.827 -6.574 -2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 52 12.217 -6.471 -4.604 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.574 -9.419 -5.224 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.032 -8.580 -5.807 1.00 0.00 H new ATOM 0 HD23 LEU A 52 13.186 -10.088 -4.874 1.00 0.00 H new ATOM 797 N GLU A 53 14.496 -9.795 -0.995 1.00 0.00 N ATOM 798 CA GLU A 53 14.131 -10.908 -0.126 1.00 0.00 C ATOM 799 C GLU A 53 14.290 -10.528 1.342 1.00 0.00 C ATOM 800 O GLU A 53 13.566 -11.026 2.204 1.00 0.00 O ATOM 801 CB GLU A 53 14.990 -12.134 -0.445 1.00 0.00 C ATOM 802 CG GLU A 53 16.483 -11.851 -0.431 1.00 0.00 C ATOM 803 CD GLU A 53 17.164 -12.372 0.819 1.00 0.00 C ATOM 804 OE1 GLU A 53 16.644 -12.120 1.927 1.00 0.00 O ATOM 805 OE2 GLU A 53 18.216 -13.033 0.691 1.00 0.00 O ATOM 0 H GLU A 53 15.273 -9.990 -1.626 1.00 0.00 H new ATOM 0 HA GLU A 53 13.084 -11.150 -0.307 1.00 0.00 H new ATOM 0 HB2 GLU A 53 14.771 -12.919 0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 53 14.711 -12.518 -1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 53 16.943 -12.306 -1.308 1.00 0.00 H new ATOM 0 HG3 GLU A 53 16.646 -10.776 -0.508 1.00 0.00 H new ATOM 812 N SER A 54 15.242 -9.643 1.621 1.00 0.00 N ATOM 813 CA SER A 54 15.495 -9.197 2.986 1.00 0.00 C ATOM 814 C SER A 54 14.306 -8.411 3.532 1.00 0.00 C ATOM 815 O SER A 54 14.040 -8.424 4.733 1.00 0.00 O ATOM 816 CB SER A 54 16.757 -8.335 3.038 1.00 0.00 C ATOM 817 OG SER A 54 17.873 -9.034 2.515 1.00 0.00 O ATOM 0 H SER A 54 15.851 -9.221 0.920 1.00 0.00 H new ATOM 0 HA SER A 54 15.640 -10.080 3.608 1.00 0.00 H new ATOM 0 HB2 SER A 54 16.599 -7.418 2.470 1.00 0.00 H new ATOM 0 HB3 SER A 54 16.958 -8.041 4.068 1.00 0.00 H new ATOM 0 HG SER A 54 18.302 -8.492 1.820 1.00 0.00 H new ATOM 823 N LEU A 55 13.595 -7.726 2.640 1.00 0.00 N ATOM 824 CA LEU A 55 12.435 -6.935 3.033 1.00 0.00 C ATOM 825 C LEU A 55 11.378 -7.810 3.697 1.00 0.00 C ATOM 826 O LEU A 55 11.330 -9.020 3.477 1.00 0.00 O ATOM 827 CB LEU A 55 11.837 -6.229 1.814 1.00 0.00 C ATOM 828 CG LEU A 55 12.670 -5.072 1.260 1.00 0.00 C ATOM 829 CD1 LEU A 55 12.233 -4.730 -0.155 1.00 0.00 C ATOM 830 CD2 LEU A 55 12.554 -3.854 2.164 1.00 0.00 C ATOM 0 H LEU A 55 13.802 -7.703 1.642 1.00 0.00 H new ATOM 0 HA LEU A 55 12.765 -6.186 3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.693 -6.964 1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.850 -5.851 2.081 1.00 0.00 H new ATOM 0 HG LEU A 55 13.715 -5.382 1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.837 -3.905 -0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.366 -5.601 -0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.183 -4.439 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.153 -3.040 1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.511 -3.543 2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.915 -4.105 3.161 1.00 0.00 H new ATOM 842 N SER A 56 10.529 -7.188 4.511 1.00 0.00 N ATOM 843 CA SER A 56 9.471 -7.909 5.208 1.00 0.00 C ATOM 844 C SER A 56 8.188 -7.084 5.246 1.00 0.00 C ATOM 845 O SER A 56 8.169 -5.928 4.825 1.00 0.00 O ATOM 846 CB SER A 56 9.911 -8.254 6.632 1.00 0.00 C ATOM 847 OG SER A 56 10.357 -7.100 7.323 1.00 0.00 O ATOM 0 H SER A 56 10.554 -6.187 4.703 1.00 0.00 H new ATOM 0 HA SER A 56 9.274 -8.832 4.663 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.080 -8.707 7.173 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.711 -8.994 6.599 1.00 0.00 H new ATOM 0 HG SER A 56 10.936 -7.368 8.067 1.00 0.00 H new ATOM 853 N GLN A 57 7.117 -7.688 5.752 1.00 0.00 N ATOM 854 CA GLN A 57 5.829 -7.009 5.844 1.00 0.00 C ATOM 855 C GLN A 57 5.942 -5.732 6.674 1.00 0.00 C ATOM 856 O GLN A 57 5.193 -4.778 6.465 1.00 0.00 O ATOM 857 CB GLN A 57 4.782 -7.942 6.458 1.00 0.00 C ATOM 858 CG GLN A 57 3.753 -8.442 5.457 1.00 0.00 C ATOM 859 CD GLN A 57 3.324 -9.871 5.727 1.00 0.00 C ATOM 860 OE1 GLN A 57 3.844 -10.528 6.628 1.00 0.00 O ATOM 861 NE2 GLN A 57 2.369 -10.359 4.943 1.00 0.00 N ATOM 0 H GLN A 57 7.116 -8.645 6.104 1.00 0.00 H new ATOM 0 HA GLN A 57 5.517 -6.736 4.836 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.287 -8.798 6.905 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.268 -7.418 7.264 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.878 -7.792 5.485 1.00 0.00 H new ATOM 0 HG3 GLN A 57 4.167 -8.375 4.451 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.966 -9.778 4.208 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.039 -11.315 5.076 1.00 0.00 H new ATOM 870 N VAL A 58 6.882 -5.722 7.614 1.00 0.00 N ATOM 871 CA VAL A 58 7.090 -4.562 8.473 1.00 0.00 C ATOM 872 C VAL A 58 8.199 -3.666 7.930 1.00 0.00 C ATOM 873 O VAL A 58 8.054 -2.445 7.878 1.00 0.00 O ATOM 874 CB VAL A 58 7.448 -4.986 9.910 1.00 0.00 C ATOM 875 CG1 VAL A 58 7.464 -3.780 10.835 1.00 0.00 C ATOM 876 CG2 VAL A 58 6.473 -6.041 10.413 1.00 0.00 C ATOM 0 H VAL A 58 7.511 -6.503 7.800 1.00 0.00 H new ATOM 0 HA VAL A 58 6.152 -4.007 8.487 1.00 0.00 H new ATOM 0 HB VAL A 58 8.447 -5.421 9.903 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.719 -4.100 11.845 1.00 0.00 H new ATOM 0 HG12 VAL A 58 8.205 -3.062 10.484 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.480 -3.312 10.840 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.741 -6.329 11.430 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.462 -5.635 10.406 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.517 -6.916 9.765 1.00 0.00 H new ATOM 886 N ASP A 59 9.307 -4.281 7.529 1.00 0.00 N ATOM 887 CA ASP A 59 10.442 -3.540 6.992 1.00 0.00 C ATOM 888 C ASP A 59 10.085 -2.874 5.666 1.00 0.00 C ATOM 889 O ASP A 59 10.508 -1.752 5.390 1.00 0.00 O ATOM 890 CB ASP A 59 11.640 -4.470 6.802 1.00 0.00 C ATOM 891 CG ASP A 59 12.269 -4.880 8.118 1.00 0.00 C ATOM 892 OD1 ASP A 59 11.570 -5.509 8.940 1.00 0.00 O ATOM 893 OD2 ASP A 59 13.461 -4.570 8.329 1.00 0.00 O ATOM 0 H ASP A 59 9.443 -5.291 7.566 1.00 0.00 H new ATOM 0 HA ASP A 59 10.704 -2.761 7.708 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.322 -5.361 6.261 1.00 0.00 H new ATOM 0 HB3 ASP A 59 12.388 -3.973 6.185 1.00 0.00 H new ATOM 898 N LEU A 60 9.303 -3.573 4.849 1.00 0.00 N ATOM 899 CA LEU A 60 8.890 -3.048 3.552 1.00 0.00 C ATOM 900 C LEU A 60 8.114 -1.745 3.713 1.00 0.00 C ATOM 901 O LEU A 60 8.196 -0.854 2.868 1.00 0.00 O ATOM 902 CB LEU A 60 8.034 -4.077 2.810 1.00 0.00 C ATOM 903 CG LEU A 60 7.609 -3.668 1.399 1.00 0.00 C ATOM 904 CD1 LEU A 60 8.822 -3.284 0.566 1.00 0.00 C ATOM 905 CD2 LEU A 60 6.834 -4.793 0.730 1.00 0.00 C ATOM 0 H LEU A 60 8.943 -4.503 5.062 1.00 0.00 H new ATOM 0 HA LEU A 60 9.788 -2.845 2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.589 -5.013 2.749 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.139 -4.275 3.400 1.00 0.00 H new ATOM 0 HG LEU A 60 6.956 -2.798 1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.500 -2.996 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.336 -2.446 1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.501 -4.134 0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.539 -4.485 -0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.463 -5.681 0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.944 -5.020 1.316 1.00 0.00 H new ATOM 917 N ALA A 61 7.361 -1.642 4.803 1.00 0.00 N ATOM 918 CA ALA A 61 6.569 -0.448 5.074 1.00 0.00 C ATOM 919 C ALA A 61 7.465 0.743 5.400 1.00 0.00 C ATOM 920 O ALA A 61 7.111 1.890 5.127 1.00 0.00 O ATOM 921 CB ALA A 61 5.598 -0.709 6.215 1.00 0.00 C ATOM 0 H ALA A 61 7.283 -2.370 5.513 1.00 0.00 H new ATOM 0 HA ALA A 61 6.001 -0.206 4.176 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.013 0.190 6.408 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.929 -1.526 5.944 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.155 -0.978 7.112 1.00 0.00 H new ATOM 927 N SER A 62 8.624 0.464 5.986 1.00 0.00 N ATOM 928 CA SER A 62 9.569 1.514 6.349 1.00 0.00 C ATOM 929 C SER A 62 10.486 1.852 5.178 1.00 0.00 C ATOM 930 O SER A 62 10.922 2.994 5.028 1.00 0.00 O ATOM 931 CB SER A 62 10.403 1.082 7.556 1.00 0.00 C ATOM 932 OG SER A 62 11.383 0.127 7.185 1.00 0.00 O ATOM 0 H SER A 62 8.932 -0.480 6.220 1.00 0.00 H new ATOM 0 HA SER A 62 8.999 2.406 6.609 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.888 1.953 7.997 1.00 0.00 H new ATOM 0 HB3 SER A 62 9.750 0.660 8.320 1.00 0.00 H new ATOM 0 HG SER A 62 11.016 -0.469 6.499 1.00 0.00 H new ATOM 938 N LYS A 63 10.774 0.854 4.350 1.00 0.00 N ATOM 939 CA LYS A 63 11.640 1.047 3.192 1.00 0.00 C ATOM 940 C LYS A 63 10.924 1.840 2.102 1.00 0.00 C ATOM 941 O LYS A 63 11.542 2.631 1.390 1.00 0.00 O ATOM 942 CB LYS A 63 12.098 -0.306 2.641 1.00 0.00 C ATOM 943 CG LYS A 63 13.499 -0.697 3.081 1.00 0.00 C ATOM 944 CD LYS A 63 14.552 -0.178 2.115 1.00 0.00 C ATOM 945 CE LYS A 63 15.884 -0.883 2.310 1.00 0.00 C ATOM 946 NZ LYS A 63 16.559 -0.456 3.568 1.00 0.00 N ATOM 0 H LYS A 63 10.421 -0.097 4.459 1.00 0.00 H new ATOM 0 HA LYS A 63 12.513 1.615 3.513 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.397 -1.076 2.962 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.063 -0.277 1.552 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.692 -0.301 4.078 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.570 -1.783 3.150 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.210 -0.322 1.090 1.00 0.00 H new ATOM 0 HD3 LYS A 63 14.682 0.894 2.259 1.00 0.00 H new ATOM 0 HE2 LYS A 63 15.725 -1.961 2.331 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.534 -0.674 1.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 17.464 -0.959 3.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.734 0.569 3.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.950 -0.679 4.381 1.00 0.00 H new ATOM 960 N LEU A 64 9.620 1.620 1.978 1.00 0.00 N ATOM 961 CA LEU A 64 8.821 2.313 0.974 1.00 0.00 C ATOM 962 C LEU A 64 8.732 3.805 1.282 1.00 0.00 C ATOM 963 O LEU A 64 8.699 4.635 0.374 1.00 0.00 O ATOM 964 CB LEU A 64 7.416 1.711 0.904 1.00 0.00 C ATOM 965 CG LEU A 64 7.321 0.375 0.164 1.00 0.00 C ATOM 966 CD1 LEU A 64 5.879 -0.105 0.113 1.00 0.00 C ATOM 967 CD2 LEU A 64 7.894 0.502 -1.239 1.00 0.00 C ATOM 0 H LEU A 64 9.094 0.968 2.560 1.00 0.00 H new ATOM 0 HA LEU A 64 9.311 2.188 0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.045 1.574 1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.754 2.427 0.417 1.00 0.00 H new ATOM 0 HG LEU A 64 7.908 -0.364 0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.831 -1.056 -0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.503 -0.235 1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.268 0.632 -0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.818 -0.457 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.334 1.255 -1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.941 0.800 -1.179 1.00 0.00 H new ATOM 979 N ILE A 65 8.694 4.137 2.568 1.00 0.00 N ATOM 980 CA ILE A 65 8.608 5.529 2.995 1.00 0.00 C ATOM 981 C ILE A 65 9.983 6.189 3.000 1.00 0.00 C ATOM 982 O ILE A 65 10.106 7.392 2.773 1.00 0.00 O ATOM 983 CB ILE A 65 7.989 5.649 4.402 1.00 0.00 C ATOM 984 CG1 ILE A 65 6.695 4.838 4.484 1.00 0.00 C ATOM 985 CG2 ILE A 65 7.730 7.107 4.744 1.00 0.00 C ATOM 986 CD1 ILE A 65 6.178 4.666 5.896 1.00 0.00 C ATOM 0 H ILE A 65 8.721 3.462 3.332 1.00 0.00 H new ATOM 0 HA ILE A 65 7.965 6.040 2.278 1.00 0.00 H new ATOM 0 HB ILE A 65 8.694 5.246 5.129 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.930 5.329 3.883 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.864 3.855 4.045 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.293 7.175 5.740 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.670 7.658 4.722 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.041 7.535 4.016 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.258 4.081 5.878 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.926 4.148 6.497 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.977 5.645 6.332 1.00 0.00 H new ATOM 998 N SER A 66 11.015 5.393 3.261 1.00 0.00 N ATOM 999 CA SER A 66 12.381 5.901 3.296 1.00 0.00 C ATOM 1000 C SER A 66 12.948 6.039 1.887 1.00 0.00 C ATOM 1001 O SER A 66 13.772 6.915 1.621 1.00 0.00 O ATOM 1002 CB SER A 66 13.271 4.973 4.126 1.00 0.00 C ATOM 1003 OG SER A 66 14.223 5.712 4.872 1.00 0.00 O ATOM 0 H SER A 66 10.931 4.394 3.451 1.00 0.00 H new ATOM 0 HA SER A 66 12.362 6.888 3.759 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.654 4.381 4.802 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.785 4.272 3.468 1.00 0.00 H new ATOM 0 HG SER A 66 14.778 5.096 5.395 1.00 0.00 H new ATOM 1009 N MET A 67 12.500 5.171 0.985 1.00 0.00 N ATOM 1010 CA MET A 67 12.962 5.198 -0.397 1.00 0.00 C ATOM 1011 C MET A 67 12.248 6.289 -1.189 1.00 0.00 C ATOM 1012 O MET A 67 12.860 6.982 -2.002 1.00 0.00 O ATOM 1013 CB MET A 67 12.734 3.838 -1.060 1.00 0.00 C ATOM 1014 CG MET A 67 13.690 2.759 -0.579 1.00 0.00 C ATOM 1015 SD MET A 67 13.122 1.097 -0.984 1.00 0.00 S ATOM 1016 CE MET A 67 13.039 1.193 -2.771 1.00 0.00 C ATOM 0 H MET A 67 11.817 4.440 1.187 1.00 0.00 H new ATOM 0 HA MET A 67 14.030 5.418 -0.392 1.00 0.00 H new ATOM 0 HB2 MET A 67 11.710 3.517 -0.868 1.00 0.00 H new ATOM 0 HB3 MET A 67 12.837 3.948 -2.140 1.00 0.00 H new ATOM 0 HG2 MET A 67 14.671 2.923 -1.026 1.00 0.00 H new ATOM 0 HG3 MET A 67 13.814 2.843 0.501 1.00 0.00 H new ATOM 0 HE1 MET A 67 12.069 0.829 -3.110 1.00 0.00 H new ATOM 0 HE2 MET A 67 13.169 2.228 -3.086 1.00 0.00 H new ATOM 0 HE3 MET A 67 13.829 0.580 -3.205 1.00 0.00 H new ATOM 1026 N TYR A 68 10.950 6.436 -0.947 1.00 0.00 N ATOM 1027 CA TYR A 68 10.153 7.443 -1.638 1.00 0.00 C ATOM 1028 C TYR A 68 9.335 8.264 -0.646 1.00 0.00 C ATOM 1029 O TYR A 68 9.471 9.485 -0.574 1.00 0.00 O ATOM 1030 CB TYR A 68 9.222 6.779 -2.655 1.00 0.00 C ATOM 1031 CG TYR A 68 9.883 5.684 -3.461 1.00 0.00 C ATOM 1032 CD1 TYR A 68 9.987 4.393 -2.959 1.00 0.00 C ATOM 1033 CD2 TYR A 68 10.401 5.941 -4.724 1.00 0.00 C ATOM 1034 CE1 TYR A 68 10.589 3.389 -3.692 1.00 0.00 C ATOM 1035 CE2 TYR A 68 11.006 4.941 -5.463 1.00 0.00 C ATOM 1036 CZ TYR A 68 11.098 3.668 -4.943 1.00 0.00 C ATOM 1037 OH TYR A 68 11.699 2.671 -5.676 1.00 0.00 O ATOM 0 H TYR A 68 10.427 5.871 -0.278 1.00 0.00 H new ATOM 0 HA TYR A 68 10.835 8.112 -2.162 1.00 0.00 H new ATOM 0 HB2 TYR A 68 8.363 6.363 -2.130 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.841 7.540 -3.336 1.00 0.00 H new ATOM 0 HD1 TYR A 68 9.591 4.171 -1.979 1.00 0.00 H new ATOM 0 HD2 TYR A 68 10.330 6.937 -5.135 1.00 0.00 H new ATOM 0 HE1 TYR A 68 10.661 2.390 -3.287 1.00 0.00 H new ATOM 0 HE2 TYR A 68 11.405 5.157 -6.443 1.00 0.00 H new ATOM 0 HH TYR A 68 12.002 3.034 -6.534 1.00 0.00 H new ATOM 1047 N GLY A 69 8.486 7.584 0.116 1.00 0.00 N ATOM 1048 CA GLY A 69 7.657 8.264 1.094 1.00 0.00 C ATOM 1049 C GLY A 69 6.284 7.633 1.228 1.00 0.00 C ATOM 1050 O GLY A 69 5.951 6.698 0.502 1.00 0.00 O ATOM 0 H GLY A 69 8.357 6.573 0.074 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.157 8.249 2.063 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.547 9.310 0.808 1.00 0.00 H new ATOM 1054 N ALA A 70 5.489 8.145 2.161 1.00 0.00 N ATOM 1055 CA ALA A 70 4.146 7.625 2.389 1.00 0.00 C ATOM 1056 C ALA A 70 3.217 7.953 1.222 1.00 0.00 C ATOM 1057 O ALA A 70 2.201 7.289 1.021 1.00 0.00 O ATOM 1058 CB ALA A 70 3.580 8.181 3.686 1.00 0.00 C ATOM 0 H ALA A 70 5.751 8.919 2.771 1.00 0.00 H new ATOM 0 HA ALA A 70 4.215 6.540 2.467 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.577 7.785 3.845 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.221 7.889 4.518 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.536 9.268 3.627 1.00 0.00 H new ATOM 1064 N GLN A 71 3.570 8.984 0.459 1.00 0.00 N ATOM 1065 CA GLN A 71 2.762 9.399 -0.683 1.00 0.00 C ATOM 1066 C GLN A 71 3.001 8.492 -1.886 1.00 0.00 C ATOM 1067 O GLN A 71 2.078 8.199 -2.646 1.00 0.00 O ATOM 1068 CB GLN A 71 3.079 10.849 -1.056 1.00 0.00 C ATOM 1069 CG GLN A 71 3.112 11.792 0.136 1.00 0.00 C ATOM 1070 CD GLN A 71 3.985 13.009 -0.106 1.00 0.00 C ATOM 1071 OE1 GLN A 71 5.211 12.906 -0.159 1.00 0.00 O ATOM 1072 NE2 GLN A 71 3.357 14.169 -0.255 1.00 0.00 N ATOM 0 H GLN A 71 4.408 9.546 0.610 1.00 0.00 H new ATOM 0 HA GLN A 71 1.713 9.321 -0.397 1.00 0.00 H new ATOM 0 HB2 GLN A 71 4.044 10.882 -1.562 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.334 11.203 -1.768 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.097 12.117 0.365 1.00 0.00 H new ATOM 0 HG3 GLN A 71 3.479 11.254 1.010 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.339 14.208 -0.204 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.892 15.021 -0.421 1.00 0.00 H new ATOM 1081 N GLU A 72 4.244 8.054 -2.057 1.00 0.00 N ATOM 1082 CA GLU A 72 4.600 7.184 -3.173 1.00 0.00 C ATOM 1083 C GLU A 72 4.613 5.717 -2.751 1.00 0.00 C ATOM 1084 O GLU A 72 4.463 4.822 -3.583 1.00 0.00 O ATOM 1085 CB GLU A 72 5.968 7.579 -3.736 1.00 0.00 C ATOM 1086 CG GLU A 72 5.995 7.680 -5.252 1.00 0.00 C ATOM 1087 CD GLU A 72 6.971 6.710 -5.888 1.00 0.00 C ATOM 1088 OE1 GLU A 72 6.992 5.531 -5.473 1.00 0.00 O ATOM 1089 OE2 GLU A 72 7.716 7.127 -6.798 1.00 0.00 O ATOM 0 H GLU A 72 5.021 8.287 -1.438 1.00 0.00 H new ATOM 0 HA GLU A 72 3.843 7.307 -3.948 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.263 8.538 -3.311 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.709 6.847 -3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.995 7.490 -5.642 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.262 8.697 -5.539 1.00 0.00 H new ATOM 1096 N ALA A 73 4.797 5.474 -1.456 1.00 0.00 N ATOM 1097 CA ALA A 73 4.832 4.113 -0.930 1.00 0.00 C ATOM 1098 C ALA A 73 3.586 3.331 -1.332 1.00 0.00 C ATOM 1099 O ALA A 73 3.653 2.130 -1.596 1.00 0.00 O ATOM 1100 CB ALA A 73 4.974 4.138 0.585 1.00 0.00 C ATOM 0 H ALA A 73 4.924 6.201 -0.752 1.00 0.00 H new ATOM 0 HA ALA A 73 5.697 3.608 -1.360 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.999 3.117 0.965 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.898 4.648 0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.127 4.667 1.021 1.00 0.00 H new ATOM 1106 N VAL A 74 2.450 4.019 -1.377 1.00 0.00 N ATOM 1107 CA VAL A 74 1.188 3.387 -1.746 1.00 0.00 C ATOM 1108 C VAL A 74 1.092 3.188 -3.256 1.00 0.00 C ATOM 1109 O VAL A 74 0.448 2.251 -3.729 1.00 0.00 O ATOM 1110 CB VAL A 74 -0.017 4.220 -1.273 1.00 0.00 C ATOM 1111 CG1 VAL A 74 -1.313 3.453 -1.484 1.00 0.00 C ATOM 1112 CG2 VAL A 74 0.146 4.612 0.188 1.00 0.00 C ATOM 0 H VAL A 74 2.377 5.014 -1.163 1.00 0.00 H new ATOM 0 HA VAL A 74 1.166 2.416 -1.252 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.061 5.132 -1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.153 4.058 -1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.434 3.227 -2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.282 2.523 -0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.715 5.200 0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.217 3.713 0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.054 5.204 0.307 1.00 0.00 H new ATOM 1122 N ARG A 75 1.737 4.074 -4.007 1.00 0.00 N ATOM 1123 CA ARG A 75 1.723 3.996 -5.464 1.00 0.00 C ATOM 1124 C ARG A 75 2.346 2.689 -5.945 1.00 0.00 C ATOM 1125 O ARG A 75 1.846 2.057 -6.875 1.00 0.00 O ATOM 1126 CB ARG A 75 2.474 5.187 -6.065 1.00 0.00 C ATOM 1127 CG ARG A 75 1.579 6.144 -6.836 1.00 0.00 C ATOM 1128 CD ARG A 75 2.340 6.852 -7.946 1.00 0.00 C ATOM 1129 NE ARG A 75 2.471 8.285 -7.692 1.00 0.00 N ATOM 1130 CZ ARG A 75 1.499 9.168 -7.908 1.00 0.00 C ATOM 1131 NH1 ARG A 75 0.324 8.771 -8.379 1.00 0.00 N ATOM 1132 NH2 ARG A 75 1.702 10.453 -7.651 1.00 0.00 N ATOM 0 H ARG A 75 2.276 4.854 -3.632 1.00 0.00 H new ATOM 0 HA ARG A 75 0.685 4.025 -5.796 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.972 5.734 -5.264 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.254 4.816 -6.730 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.740 5.594 -7.263 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.161 6.883 -6.152 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.331 6.409 -8.046 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.825 6.697 -8.894 1.00 0.00 H new ATOM 0 HE ARG A 75 3.360 8.629 -7.328 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.161 7.784 -8.578 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.417 9.453 -8.542 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.603 10.764 -7.288 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.957 11.130 -7.816 1.00 0.00 H new ATOM 1146 N VAL A 76 3.439 2.288 -5.305 1.00 0.00 N ATOM 1147 CA VAL A 76 4.131 1.057 -5.668 1.00 0.00 C ATOM 1148 C VAL A 76 3.211 -0.152 -5.526 1.00 0.00 C ATOM 1149 O VAL A 76 3.112 -0.979 -6.432 1.00 0.00 O ATOM 1150 CB VAL A 76 5.384 0.840 -4.799 1.00 0.00 C ATOM 1151 CG1 VAL A 76 6.174 -0.365 -5.289 1.00 0.00 C ATOM 1152 CG2 VAL A 76 6.255 2.089 -4.794 1.00 0.00 C ATOM 0 H VAL A 76 3.865 2.798 -4.531 1.00 0.00 H new ATOM 0 HA VAL A 76 4.435 1.159 -6.710 1.00 0.00 H new ATOM 0 HB VAL A 76 5.062 0.644 -3.776 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.055 -0.502 -4.662 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.549 -1.256 -5.235 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.485 -0.201 -6.321 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.135 1.916 -4.175 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.567 2.319 -5.813 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.687 2.927 -4.391 1.00 0.00 H new ATOM 1162 N VAL A 77 2.541 -0.250 -4.382 1.00 0.00 N ATOM 1163 CA VAL A 77 1.631 -1.359 -4.123 1.00 0.00 C ATOM 1164 C VAL A 77 0.494 -1.390 -5.138 1.00 0.00 C ATOM 1165 O VAL A 77 0.267 -2.402 -5.800 1.00 0.00 O ATOM 1166 CB VAL A 77 1.034 -1.275 -2.705 1.00 0.00 C ATOM 1167 CG1 VAL A 77 0.251 -2.538 -2.379 1.00 0.00 C ATOM 1168 CG2 VAL A 77 2.130 -1.039 -1.677 1.00 0.00 C ATOM 0 H VAL A 77 2.611 0.425 -3.620 1.00 0.00 H new ATOM 0 HA VAL A 77 2.217 -2.274 -4.211 1.00 0.00 H new ATOM 0 HB VAL A 77 0.347 -0.430 -2.670 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.163 -2.460 -1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.560 -2.659 -3.097 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.914 -3.401 -2.432 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.689 -0.983 -0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.844 -1.862 -1.711 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.643 -0.104 -1.900 1.00 0.00 H new ATOM 1178 N SER A 78 -0.219 -0.274 -5.255 1.00 0.00 N ATOM 1179 CA SER A 78 -1.334 -0.173 -6.190 1.00 0.00 C ATOM 1180 C SER A 78 -0.877 -0.449 -7.619 1.00 0.00 C ATOM 1181 O SER A 78 -1.644 -0.954 -8.439 1.00 0.00 O ATOM 1182 CB SER A 78 -1.972 1.215 -6.104 1.00 0.00 C ATOM 1183 OG SER A 78 -3.141 1.192 -5.303 1.00 0.00 O ATOM 0 H SER A 78 -0.044 0.573 -4.714 1.00 0.00 H new ATOM 0 HA SER A 78 -2.074 -0.925 -5.916 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.256 1.922 -5.686 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.221 1.567 -7.105 1.00 0.00 H new ATOM 0 HG SER A 78 -3.528 2.091 -5.263 1.00 0.00 H new ATOM 1189 N ARG A 79 0.375 -0.113 -7.912 1.00 0.00 N ATOM 1190 CA ARG A 79 0.931 -0.324 -9.244 1.00 0.00 C ATOM 1191 C ARG A 79 1.148 -1.810 -9.515 1.00 0.00 C ATOM 1192 O ARG A 79 1.064 -2.261 -10.657 1.00 0.00 O ATOM 1193 CB ARG A 79 2.252 0.432 -9.394 1.00 0.00 C ATOM 1194 CG ARG A 79 2.074 1.928 -9.609 1.00 0.00 C ATOM 1195 CD ARG A 79 2.357 2.328 -11.050 1.00 0.00 C ATOM 1196 NE ARG A 79 1.149 2.776 -11.741 1.00 0.00 N ATOM 1197 CZ ARG A 79 0.253 1.952 -12.279 1.00 0.00 C ATOM 1198 NH1 ARG A 79 0.421 0.638 -12.210 1.00 0.00 N ATOM 1199 NH2 ARG A 79 -0.817 2.445 -12.888 1.00 0.00 N ATOM 0 H ARG A 79 1.024 0.306 -7.246 1.00 0.00 H new ATOM 0 HA ARG A 79 0.217 0.059 -9.973 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.857 0.271 -8.502 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.806 0.015 -10.235 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.056 2.215 -9.345 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.742 2.473 -8.942 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.100 3.125 -11.066 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.787 1.480 -11.584 1.00 0.00 H new ATOM 0 HE ARG A 79 0.983 3.780 -11.815 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.241 0.253 -11.742 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.270 0.013 -12.625 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.952 3.454 -12.944 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.505 1.815 -13.301 1.00 0.00 H new ATOM 1213 N SER A 80 1.430 -2.566 -8.459 1.00 0.00 N ATOM 1214 CA SER A 80 1.660 -4.001 -8.585 1.00 0.00 C ATOM 1215 C SER A 80 0.339 -4.761 -8.646 1.00 0.00 C ATOM 1216 O SER A 80 0.242 -5.806 -9.291 1.00 0.00 O ATOM 1217 CB SER A 80 2.501 -4.509 -7.413 1.00 0.00 C ATOM 1218 OG SER A 80 3.867 -4.178 -7.584 1.00 0.00 O ATOM 0 H SER A 80 1.505 -2.209 -7.506 1.00 0.00 H new ATOM 0 HA SER A 80 2.202 -4.176 -9.514 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.133 -4.077 -6.483 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.394 -5.590 -7.326 1.00 0.00 H new ATOM 0 HG SER A 80 4.383 -4.512 -6.821 1.00 0.00 H new ATOM 1224 N LEU A 81 -0.676 -4.231 -7.970 1.00 0.00 N ATOM 1225 CA LEU A 81 -1.990 -4.861 -7.948 1.00 0.00 C ATOM 1226 C LEU A 81 -2.659 -4.780 -9.316 1.00 0.00 C ATOM 1227 O LEU A 81 -3.265 -5.744 -9.781 1.00 0.00 O ATOM 1228 CB LEU A 81 -2.879 -4.197 -6.894 1.00 0.00 C ATOM 1229 CG LEU A 81 -2.325 -4.226 -5.468 1.00 0.00 C ATOM 1230 CD1 LEU A 81 -3.001 -3.167 -4.611 1.00 0.00 C ATOM 1231 CD2 LEU A 81 -2.506 -5.606 -4.855 1.00 0.00 C ATOM 0 H LEU A 81 -0.613 -3.367 -7.431 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.855 -5.912 -7.693 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.045 -3.159 -7.182 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.852 -4.688 -6.900 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.258 -4.005 -5.508 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.594 -3.203 -3.600 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.820 -2.182 -5.040 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.074 -3.357 -4.577 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.107 -5.609 -3.841 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.567 -5.856 -4.828 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.975 -6.344 -5.456 1.00 0.00 H new ATOM 1243 N LEU A 82 -2.545 -3.620 -9.957 1.00 0.00 N ATOM 1244 CA LEU A 82 -3.140 -3.412 -11.272 1.00 0.00 C ATOM 1245 C LEU A 82 -2.572 -4.397 -12.289 1.00 0.00 C ATOM 1246 O LEU A 82 -3.296 -4.907 -13.144 1.00 0.00 O ATOM 1247 CB LEU A 82 -2.897 -1.977 -11.743 1.00 0.00 C ATOM 1248 CG LEU A 82 -3.735 -0.913 -11.033 1.00 0.00 C ATOM 1249 CD1 LEU A 82 -3.214 0.479 -11.355 1.00 0.00 C ATOM 1250 CD2 LEU A 82 -5.200 -1.041 -11.425 1.00 0.00 C ATOM 0 H LEU A 82 -2.046 -2.811 -9.587 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.213 -3.583 -11.189 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.842 -1.739 -11.605 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.099 -1.923 -12.813 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.652 -1.069 -9.957 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.823 1.223 -10.841 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.179 0.566 -11.024 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.267 0.647 -12.431 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.782 -0.276 -10.911 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.301 -0.911 -12.502 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.567 -2.028 -11.143 1.00 0.00 H new ATOM 1262 N ALA A 83 -1.273 -4.660 -12.191 1.00 0.00 N ATOM 1263 CA ALA A 83 -0.610 -5.583 -13.104 1.00 0.00 C ATOM 1264 C ALA A 83 -1.232 -6.973 -13.024 1.00 0.00 C ATOM 1265 O ALA A 83 -1.345 -7.673 -14.031 1.00 0.00 O ATOM 1266 CB ALA A 83 0.879 -5.650 -12.797 1.00 0.00 C ATOM 0 H ALA A 83 -0.659 -4.247 -11.489 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.744 -5.211 -14.120 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.362 -6.343 -13.486 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.319 -4.659 -12.911 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.024 -5.996 -11.774 1.00 0.00 H new ATOM 1272 N MET A 84 -1.634 -7.367 -11.820 1.00 0.00 N ATOM 1273 CA MET A 84 -2.247 -8.673 -11.607 1.00 0.00 C ATOM 1274 C MET A 84 -3.773 -8.577 -11.589 1.00 0.00 C ATOM 1275 O MET A 84 -4.462 -9.582 -11.418 1.00 0.00 O ATOM 1276 CB MET A 84 -1.751 -9.282 -10.294 1.00 0.00 C ATOM 1277 CG MET A 84 -0.238 -9.240 -10.138 1.00 0.00 C ATOM 1278 SD MET A 84 0.278 -8.791 -8.470 1.00 0.00 S ATOM 1279 CE MET A 84 -0.116 -10.293 -7.577 1.00 0.00 C ATOM 0 H MET A 84 -1.546 -6.800 -10.977 1.00 0.00 H new ATOM 0 HA MET A 84 -1.956 -9.316 -12.438 1.00 0.00 H new ATOM 0 HB2 MET A 84 -2.209 -8.750 -9.460 1.00 0.00 H new ATOM 0 HB3 MET A 84 -2.086 -10.318 -10.234 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.176 -10.216 -10.392 1.00 0.00 H new ATOM 0 HG3 MET A 84 0.176 -8.524 -10.847 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.681 -10.514 -6.867 1.00 0.00 H new ATOM 0 HE2 MET A 84 -1.055 -10.161 -7.040 1.00 0.00 H new ATOM 0 HE3 MET A 84 -0.214 -11.120 -8.281 1.00 0.00 H new ATOM 1289 N ASN A 85 -4.297 -7.366 -11.767 1.00 0.00 N ATOM 1290 CA ASN A 85 -5.740 -7.151 -11.768 1.00 0.00 C ATOM 1291 C ASN A 85 -6.337 -7.459 -10.399 1.00 0.00 C ATOM 1292 O ASN A 85 -7.001 -8.480 -10.212 1.00 0.00 O ATOM 1293 CB ASN A 85 -6.408 -8.016 -12.841 1.00 0.00 C ATOM 1294 CG ASN A 85 -7.539 -7.293 -13.547 1.00 0.00 C ATOM 1295 OD1 ASN A 85 -7.669 -7.365 -14.769 1.00 0.00 O ATOM 1296 ND2 ASN A 85 -8.364 -6.591 -12.779 1.00 0.00 N ATOM 0 H ASN A 85 -3.744 -6.521 -11.912 1.00 0.00 H new ATOM 0 HA ASN A 85 -5.925 -6.101 -11.995 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -5.662 -8.321 -13.575 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -6.793 -8.926 -12.382 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.143 -6.084 -13.198 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.218 -6.559 -11.770 1.00 0.00 H new ATOM 1303 N LEU A 86 -6.096 -6.569 -9.441 1.00 0.00 N ATOM 1304 CA LEU A 86 -6.608 -6.744 -8.088 1.00 0.00 C ATOM 1305 C LEU A 86 -7.058 -5.411 -7.499 1.00 0.00 C ATOM 1306 O LEU A 86 -6.249 -4.649 -6.971 1.00 0.00 O ATOM 1307 CB LEU A 86 -5.538 -7.374 -7.192 1.00 0.00 C ATOM 1308 CG LEU A 86 -4.956 -8.692 -7.708 1.00 0.00 C ATOM 1309 CD1 LEU A 86 -3.587 -8.945 -7.098 1.00 0.00 C ATOM 1310 CD2 LEU A 86 -5.900 -9.845 -7.402 1.00 0.00 C ATOM 0 H LEU A 86 -5.549 -5.719 -9.578 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.470 -7.409 -8.137 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.724 -6.660 -7.066 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.967 -7.546 -6.205 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.841 -8.619 -8.789 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.188 -9.886 -7.476 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.913 -8.132 -7.367 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.676 -8.999 -6.013 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.471 -10.775 -7.775 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.046 -9.920 -6.324 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.860 -9.668 -7.887 1.00 0.00 H new ATOM 1322 N MET A 87 -8.355 -5.136 -7.595 1.00 0.00 N ATOM 1323 CA MET A 87 -8.915 -3.895 -7.073 1.00 0.00 C ATOM 1324 C MET A 87 -9.330 -4.044 -5.609 1.00 0.00 C ATOM 1325 O MET A 87 -9.600 -3.054 -4.930 1.00 0.00 O ATOM 1326 CB MET A 87 -10.119 -3.463 -7.913 1.00 0.00 C ATOM 1327 CG MET A 87 -9.863 -3.512 -9.411 1.00 0.00 C ATOM 1328 SD MET A 87 -10.546 -2.087 -10.281 1.00 0.00 S ATOM 1329 CE MET A 87 -9.060 -1.376 -10.984 1.00 0.00 C ATOM 0 H MET A 87 -9.038 -5.756 -8.030 1.00 0.00 H new ATOM 0 HA MET A 87 -8.141 -3.130 -7.131 1.00 0.00 H new ATOM 0 HB2 MET A 87 -10.967 -4.106 -7.676 1.00 0.00 H new ATOM 0 HB3 MET A 87 -10.401 -2.448 -7.634 1.00 0.00 H new ATOM 0 HG2 MET A 87 -8.789 -3.562 -9.590 1.00 0.00 H new ATOM 0 HG3 MET A 87 -10.297 -4.424 -9.820 1.00 0.00 H new ATOM 0 HE1 MET A 87 -9.318 -0.483 -11.554 1.00 0.00 H new ATOM 0 HE2 MET A 87 -8.371 -1.108 -10.183 1.00 0.00 H new ATOM 0 HE3 MET A 87 -8.586 -2.103 -11.643 1.00 0.00 H new ATOM 1339 N GLU A 88 -9.380 -5.284 -5.128 1.00 0.00 N ATOM 1340 CA GLU A 88 -9.764 -5.554 -3.745 1.00 0.00 C ATOM 1341 C GLU A 88 -8.886 -4.774 -2.769 1.00 0.00 C ATOM 1342 O GLU A 88 -9.326 -4.405 -1.681 1.00 0.00 O ATOM 1343 CB GLU A 88 -9.667 -7.051 -3.449 1.00 0.00 C ATOM 1344 CG GLU A 88 -10.604 -7.517 -2.347 1.00 0.00 C ATOM 1345 CD GLU A 88 -10.014 -8.638 -1.516 1.00 0.00 C ATOM 1346 OE1 GLU A 88 -8.804 -8.582 -1.214 1.00 0.00 O ATOM 1347 OE2 GLU A 88 -10.764 -9.575 -1.167 1.00 0.00 O ATOM 0 H GLU A 88 -9.160 -6.116 -5.675 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.796 -5.229 -3.614 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.886 -7.608 -4.360 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.642 -7.291 -3.168 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.842 -6.675 -1.697 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.542 -7.853 -2.790 1.00 0.00 H new ATOM 1354 N LEU A 89 -7.642 -4.528 -3.167 1.00 0.00 N ATOM 1355 CA LEU A 89 -6.704 -3.791 -2.327 1.00 0.00 C ATOM 1356 C LEU A 89 -6.554 -2.352 -2.810 1.00 0.00 C ATOM 1357 O LEU A 89 -6.330 -1.440 -2.014 1.00 0.00 O ATOM 1358 CB LEU A 89 -5.340 -4.485 -2.321 1.00 0.00 C ATOM 1359 CG LEU A 89 -5.182 -5.595 -1.280 1.00 0.00 C ATOM 1360 CD1 LEU A 89 -3.886 -6.359 -1.508 1.00 0.00 C ATOM 1361 CD2 LEU A 89 -5.221 -5.017 0.126 1.00 0.00 C ATOM 0 H LEU A 89 -7.260 -4.827 -4.064 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.100 -3.774 -1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.160 -4.907 -3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.568 -3.734 -2.149 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.015 -6.290 -1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.790 -7.145 -0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.897 -6.805 -2.502 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.041 -5.675 -1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.107 -5.821 0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.409 -4.300 0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.175 -4.515 0.287 1.00 0.00 H new ATOM 1373 N VAL A 90 -6.678 -2.157 -4.118 1.00 0.00 N ATOM 1374 CA VAL A 90 -6.555 -0.829 -4.707 1.00 0.00 C ATOM 1375 C VAL A 90 -7.681 0.086 -4.235 1.00 0.00 C ATOM 1376 O VAL A 90 -7.498 1.297 -4.110 1.00 0.00 O ATOM 1377 CB VAL A 90 -6.573 -0.892 -6.247 1.00 0.00 C ATOM 1378 CG1 VAL A 90 -6.275 0.475 -6.843 1.00 0.00 C ATOM 1379 CG2 VAL A 90 -5.578 -1.928 -6.752 1.00 0.00 C ATOM 0 H VAL A 90 -6.864 -2.901 -4.790 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.597 -0.425 -4.379 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.571 -1.193 -6.566 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.292 0.409 -7.931 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.029 1.189 -6.511 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.290 0.808 -6.515 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.605 -1.958 -7.841 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.575 -1.660 -6.421 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.841 -2.909 -6.355 1.00 0.00 H new ATOM 1389 N ASP A 91 -8.843 -0.502 -3.972 1.00 0.00 N ATOM 1390 CA ASP A 91 -9.998 0.260 -3.512 1.00 0.00 C ATOM 1391 C ASP A 91 -9.763 0.817 -2.112 1.00 0.00 C ATOM 1392 O ASP A 91 -10.283 1.874 -1.758 1.00 0.00 O ATOM 1393 CB ASP A 91 -11.251 -0.618 -3.520 1.00 0.00 C ATOM 1394 CG ASP A 91 -12.513 0.176 -3.795 1.00 0.00 C ATOM 1395 OD1 ASP A 91 -12.425 1.206 -4.496 1.00 0.00 O ATOM 1396 OD2 ASP A 91 -13.589 -0.232 -3.310 1.00 0.00 O ATOM 0 H ASP A 91 -9.010 -1.504 -4.069 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.144 1.097 -4.195 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.142 -1.395 -4.277 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.344 -1.121 -2.558 1.00 0.00 H new ATOM 1401 N TYR A 92 -8.975 0.098 -1.320 1.00 0.00 N ATOM 1402 CA TYR A 92 -8.670 0.521 0.042 1.00 0.00 C ATOM 1403 C TYR A 92 -7.487 1.485 0.065 1.00 0.00 C ATOM 1404 O TYR A 92 -7.384 2.335 0.949 1.00 0.00 O ATOM 1405 CB TYR A 92 -8.367 -0.695 0.919 1.00 0.00 C ATOM 1406 CG TYR A 92 -8.121 -0.351 2.371 1.00 0.00 C ATOM 1407 CD1 TYR A 92 -6.866 0.057 2.805 1.00 0.00 C ATOM 1408 CD2 TYR A 92 -9.144 -0.431 3.307 1.00 0.00 C ATOM 1409 CE1 TYR A 92 -6.636 0.372 4.131 1.00 0.00 C ATOM 1410 CE2 TYR A 92 -8.922 -0.118 4.635 1.00 0.00 C ATOM 1411 CZ TYR A 92 -7.668 0.284 5.041 1.00 0.00 C ATOM 1412 OH TYR A 92 -7.443 0.598 6.361 1.00 0.00 O ATOM 0 H TYR A 92 -8.536 -0.780 -1.597 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.544 1.039 0.437 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.201 -1.394 0.857 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.491 -1.208 0.523 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.056 0.129 2.094 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.129 -0.743 2.992 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -5.654 0.685 4.452 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -9.728 -0.188 5.351 1.00 0.00 H new ATOM 0 HH TYR A 92 -8.273 0.485 6.870 1.00 0.00 H new ATOM 1422 N LEU A 93 -6.595 1.345 -0.911 1.00 0.00 N ATOM 1423 CA LEU A 93 -5.420 2.204 -1.001 1.00 0.00 C ATOM 1424 C LEU A 93 -5.740 3.492 -1.753 1.00 0.00 C ATOM 1425 O LEU A 93 -5.131 4.533 -1.506 1.00 0.00 O ATOM 1426 CB LEU A 93 -4.275 1.466 -1.696 1.00 0.00 C ATOM 1427 CG LEU A 93 -3.795 0.199 -0.985 1.00 0.00 C ATOM 1428 CD1 LEU A 93 -2.880 -0.609 -1.893 1.00 0.00 C ATOM 1429 CD2 LEU A 93 -3.085 0.555 0.312 1.00 0.00 C ATOM 0 H LEU A 93 -6.664 0.645 -1.650 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.115 2.464 0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.593 1.200 -2.704 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.432 2.149 -1.798 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.664 -0.413 -0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.549 -1.506 -1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.422 -0.894 -2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.013 -0.007 -2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.750 -0.357 0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.224 1.187 0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.772 1.091 0.967 1.00 0.00 H new ATOM 1441 N ASN A 94 -6.697 3.415 -2.672 1.00 0.00 N ATOM 1442 CA ASN A 94 -7.096 4.576 -3.460 1.00 0.00 C ATOM 1443 C ASN A 94 -7.555 5.718 -2.559 1.00 0.00 C ATOM 1444 O ASN A 94 -7.281 6.886 -2.833 1.00 0.00 O ATOM 1445 CB ASN A 94 -8.214 4.196 -4.434 1.00 0.00 C ATOM 1446 CG ASN A 94 -7.702 3.976 -5.844 1.00 0.00 C ATOM 1447 OD1 ASN A 94 -8.217 2.946 -6.507 1.00 0.00 O flip ATOM 1448 ND2 ASN A 94 -6.855 4.723 -6.333 1.00 0.00 N flip ATOM 0 H ASN A 94 -7.211 2.561 -2.890 1.00 0.00 H new ATOM 0 HA ASN A 94 -6.228 4.914 -4.026 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.705 3.288 -4.083 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.968 4.983 -4.443 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -6.487 5.502 -5.788 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -6.521 4.563 -7.284 1.00 0.00 H new ATOM 1455 N GLN A 95 -8.255 5.373 -1.483 1.00 0.00 N ATOM 1456 CA GLN A 95 -8.752 6.369 -0.542 1.00 0.00 C ATOM 1457 C GLN A 95 -7.614 6.957 0.287 1.00 0.00 C ATOM 1458 O GLN A 95 -7.699 8.091 0.757 1.00 0.00 O ATOM 1459 CB GLN A 95 -9.804 5.750 0.381 1.00 0.00 C ATOM 1460 CG GLN A 95 -9.261 4.636 1.261 1.00 0.00 C ATOM 1461 CD GLN A 95 -10.217 4.256 2.375 1.00 0.00 C ATOM 1462 OE1 GLN A 95 -10.580 3.090 2.528 1.00 0.00 O ATOM 1463 NE2 GLN A 95 -10.632 5.244 3.161 1.00 0.00 N ATOM 0 H GLN A 95 -8.491 4.410 -1.241 1.00 0.00 H new ATOM 0 HA GLN A 95 -9.210 7.174 -1.116 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -10.224 6.531 1.015 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.621 5.358 -0.225 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -9.057 3.759 0.647 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -8.311 4.950 1.693 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -10.306 6.197 2.998 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.277 5.050 3.927 1.00 0.00 H new ATOM 1472 N VAL A 96 -6.550 6.179 0.464 1.00 0.00 N ATOM 1473 CA VAL A 96 -5.398 6.626 1.239 1.00 0.00 C ATOM 1474 C VAL A 96 -4.431 7.428 0.376 1.00 0.00 C ATOM 1475 O VAL A 96 -3.762 8.341 0.861 1.00 0.00 O ATOM 1476 CB VAL A 96 -4.647 5.437 1.864 1.00 0.00 C ATOM 1477 CG1 VAL A 96 -3.571 5.926 2.821 1.00 0.00 C ATOM 1478 CG2 VAL A 96 -5.617 4.505 2.574 1.00 0.00 C ATOM 0 H VAL A 96 -6.462 5.237 0.082 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.781 7.263 2.036 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.162 4.878 1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.052 5.070 3.252 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.858 6.548 2.280 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.031 6.511 3.618 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -5.067 3.671 3.009 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.134 5.051 3.364 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.346 4.125 1.858 1.00 0.00 H new