USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=16 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 14 ASN : amide:sc= 0.201 K(o=0.13,f=-3.3!) USER MOD Set 1.2: A 15 SER OG : rot 180:sc= -0.0696 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 30 ASN : amide:sc= -0.0946 K(o=-0.095,f=-0.62) 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 80:sc= 0.101 USER MOD Single : A 36 LYS NZ :NH3+ -126:sc= 0.765 (180deg=-0.016) USER MOD Single : A 38 HIS : no HD1:sc= -0.0368 X(o=-0.037,f=-0.18) USER MOD Single : A 43 THR OG1 : rot -70:sc= 1.19 USER MOD Single : A 44 GLN : amide:sc= -0.244 K(o=-0.24,f=-1.3!) USER MOD Single : A 46 HIS : no HD1:sc= -0.63 K(o=-0.63,f=0.03) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 111:sc= 0.159 USER MOD Single : A 57 GLN : amide:sc= -2.11 X(o=-2.1,f=-2.2!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 152:sc= -0.418 (180deg=-1.18) USER MOD Single : A 66 SER OG : rot 70:sc= 1.31 USER MOD Single : A 67 MET CE :methyl -103:sc= -1.19 (180deg=-5.88!) USER MOD Single : A 68 TYR OH : rot 165: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 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -144:sc= -0.154 (180deg=-1.9!) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 130:sc= -0.0675 USER MOD Single : A 94 ASN : amide:sc= 0.31 X(o=0.31,f=0) USER MOD Single : A 95 GLN : amide:sc= -0.0724 K(o=-0.072,f=-2) USER MOD ----------------------------------------------------------------- ATOM 148 N ALA A 13 -8.079 3.860 8.604 1.00 0.00 N ATOM 149 CA ALA A 13 -6.698 4.243 8.874 1.00 0.00 C ATOM 150 C ALA A 13 -6.587 5.741 9.134 1.00 0.00 C ATOM 151 O ALA A 13 -7.307 6.542 8.538 1.00 0.00 O ATOM 152 CB ALA A 13 -5.803 3.840 7.713 1.00 0.00 C ATOM 0 HA ALA A 13 -6.369 3.719 9.771 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.775 4.132 7.928 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.852 2.760 7.574 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.139 4.339 6.804 1.00 0.00 H new ATOM 158 N ASN A 14 -5.677 6.114 10.029 1.00 0.00 N ATOM 159 CA ASN A 14 -5.470 7.518 10.369 1.00 0.00 C ATOM 160 C ASN A 14 -4.142 8.022 9.811 1.00 0.00 C ATOM 161 O ASN A 14 -4.046 9.156 9.343 1.00 0.00 O ATOM 162 CB ASN A 14 -5.504 7.707 11.887 1.00 0.00 C ATOM 163 CG ASN A 14 -4.556 6.771 12.608 1.00 0.00 C ATOM 164 OD1 ASN A 14 -4.660 5.550 12.489 1.00 0.00 O ATOM 165 ND2 ASN A 14 -3.623 7.339 13.363 1.00 0.00 N ATOM 0 H ASN A 14 -5.072 5.465 10.531 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.276 8.098 9.920 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.245 8.738 12.128 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -6.519 7.541 12.248 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.956 6.759 13.873 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.573 8.355 13.433 1.00 0.00 H new ATOM 172 N SER A 15 -3.123 7.172 9.866 1.00 0.00 N ATOM 173 CA SER A 15 -1.801 7.532 9.367 1.00 0.00 C ATOM 174 C SER A 15 -1.491 6.798 8.062 1.00 0.00 C ATOM 175 O SER A 15 -1.797 5.614 7.922 1.00 0.00 O ATOM 176 CB SER A 15 -0.732 7.206 10.411 1.00 0.00 C ATOM 177 OG SER A 15 -1.272 7.241 11.721 1.00 0.00 O ATOM 0 H SER A 15 -3.187 6.230 10.251 1.00 0.00 H new ATOM 0 HA SER A 15 -1.795 8.604 9.172 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.314 6.219 10.213 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.087 7.921 10.333 1.00 0.00 H new ATOM 0 HG SER A 15 -0.570 7.028 12.370 1.00 0.00 H new ATOM 183 N PRO A 16 -0.879 7.492 7.085 1.00 0.00 N ATOM 184 CA PRO A 16 -0.532 6.892 5.792 1.00 0.00 C ATOM 185 C PRO A 16 0.305 5.627 5.948 1.00 0.00 C ATOM 186 O PRO A 16 0.195 4.695 5.151 1.00 0.00 O ATOM 187 CB PRO A 16 0.282 7.986 5.094 1.00 0.00 C ATOM 188 CG PRO A 16 -0.154 9.257 5.735 1.00 0.00 C ATOM 189 CD PRO A 16 -0.476 8.909 7.162 1.00 0.00 C ATOM 0 HA PRO A 16 -1.418 6.584 5.237 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.352 7.825 5.224 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.089 7.998 4.021 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.633 10.010 5.684 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.025 9.672 5.228 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.387 9.047 7.814 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.277 9.534 7.557 1.00 0.00 H new ATOM 197 N GLN A 17 1.143 5.603 6.980 1.00 0.00 N ATOM 198 CA GLN A 17 2.000 4.453 7.240 1.00 0.00 C ATOM 199 C GLN A 17 1.170 3.224 7.596 1.00 0.00 C ATOM 200 O GLN A 17 1.325 2.161 6.995 1.00 0.00 O ATOM 201 CB GLN A 17 2.978 4.766 8.375 1.00 0.00 C ATOM 202 CG GLN A 17 3.866 5.969 8.100 1.00 0.00 C ATOM 203 CD GLN A 17 4.546 6.489 9.350 1.00 0.00 C ATOM 204 OE1 GLN A 17 5.289 5.767 10.013 1.00 0.00 O ATOM 205 NE2 GLN A 17 4.294 7.751 9.680 1.00 0.00 N ATOM 0 H GLN A 17 1.246 6.366 7.649 1.00 0.00 H new ATOM 0 HA GLN A 17 2.563 4.239 6.331 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.414 4.943 9.291 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.607 3.894 8.552 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.624 5.696 7.365 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.266 6.765 7.659 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.671 8.315 9.102 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.723 8.156 10.512 1.00 0.00 H new ATOM 214 N GLU A 18 0.288 3.378 8.580 1.00 0.00 N ATOM 215 CA GLU A 18 -0.568 2.282 9.019 1.00 0.00 C ATOM 216 C GLU A 18 -1.424 1.763 7.867 1.00 0.00 C ATOM 217 O GLU A 18 -1.659 0.561 7.749 1.00 0.00 O ATOM 218 CB GLU A 18 -1.463 2.739 10.170 1.00 0.00 C ATOM 219 CG GLU A 18 -1.881 1.613 11.102 1.00 0.00 C ATOM 220 CD GLU A 18 -3.215 1.876 11.773 1.00 0.00 C ATOM 221 OE1 GLU A 18 -3.418 3.005 12.269 1.00 0.00 O ATOM 222 OE2 GLU A 18 -4.056 0.953 11.804 1.00 0.00 O ATOM 0 H GLU A 18 0.148 4.251 9.088 1.00 0.00 H new ATOM 0 HA GLU A 18 0.072 1.470 9.365 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.938 3.500 10.747 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.356 3.210 9.759 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.940 0.682 10.538 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.115 1.475 11.866 1.00 0.00 H new ATOM 229 N ALA A 19 -1.888 2.678 7.023 1.00 0.00 N ATOM 230 CA ALA A 19 -2.719 2.313 5.883 1.00 0.00 C ATOM 231 C ALA A 19 -1.937 1.477 4.876 1.00 0.00 C ATOM 232 O ALA A 19 -2.505 0.638 4.176 1.00 0.00 O ATOM 233 CB ALA A 19 -3.276 3.562 5.215 1.00 0.00 C ATOM 0 H ALA A 19 -1.703 3.677 7.107 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.549 1.708 6.250 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.895 3.275 4.365 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.880 4.119 5.931 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.453 4.188 4.870 1.00 0.00 H new ATOM 239 N LEU A 20 -0.630 1.712 4.804 1.00 0.00 N ATOM 240 CA LEU A 20 0.228 0.979 3.881 1.00 0.00 C ATOM 241 C LEU A 20 0.579 -0.397 4.436 1.00 0.00 C ATOM 242 O LEU A 20 0.464 -1.406 3.740 1.00 0.00 O ATOM 243 CB LEU A 20 1.508 1.770 3.602 1.00 0.00 C ATOM 244 CG LEU A 20 2.419 1.170 2.531 1.00 0.00 C ATOM 245 CD1 LEU A 20 1.709 1.134 1.186 1.00 0.00 C ATOM 246 CD2 LEU A 20 3.715 1.960 2.431 1.00 0.00 C ATOM 0 H LEU A 20 -0.143 2.404 5.374 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.319 0.845 2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.234 2.781 3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.073 1.857 4.530 1.00 0.00 H new ATOM 0 HG LEU A 20 2.662 0.147 2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.372 0.704 0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.809 0.525 1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.436 2.147 0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.352 1.519 1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.492 2.994 2.167 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.232 1.934 3.390 1.00 0.00 H new ATOM 258 N LEU A 21 1.009 -0.431 5.694 1.00 0.00 N ATOM 259 CA LEU A 21 1.377 -1.686 6.340 1.00 0.00 C ATOM 260 C LEU A 21 0.195 -2.650 6.375 1.00 0.00 C ATOM 261 O LEU A 21 0.351 -3.847 6.137 1.00 0.00 O ATOM 262 CB LEU A 21 1.877 -1.423 7.763 1.00 0.00 C ATOM 263 CG LEU A 21 2.274 -2.673 8.550 1.00 0.00 C ATOM 264 CD1 LEU A 21 3.380 -3.430 7.830 1.00 0.00 C ATOM 265 CD2 LEU A 21 2.711 -2.298 9.958 1.00 0.00 C ATOM 0 H LEU A 21 1.111 0.394 6.285 1.00 0.00 H new ATOM 0 HA LEU A 21 2.177 -2.143 5.758 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.737 -0.756 7.712 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.098 -0.897 8.314 1.00 0.00 H new ATOM 0 HG LEU A 21 1.404 -3.326 8.622 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.649 -4.316 8.405 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.031 -3.731 6.842 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.253 -2.786 7.726 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.990 -3.199 10.504 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.567 -1.625 9.906 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.889 -1.801 10.474 1.00 0.00 H new ATOM 277 N TRP A 22 -0.985 -2.119 6.673 1.00 0.00 N ATOM 278 CA TRP A 22 -2.195 -2.931 6.739 1.00 0.00 C ATOM 279 C TRP A 22 -2.602 -3.414 5.350 1.00 0.00 C ATOM 280 O TRP A 22 -3.189 -4.486 5.202 1.00 0.00 O ATOM 281 CB TRP A 22 -3.336 -2.133 7.370 1.00 0.00 C ATOM 282 CG TRP A 22 -4.478 -2.988 7.828 1.00 0.00 C ATOM 283 CD1 TRP A 22 -4.670 -3.497 9.079 1.00 0.00 C ATOM 284 CD2 TRP A 22 -5.585 -3.434 7.037 1.00 0.00 C ATOM 285 NE1 TRP A 22 -5.830 -4.232 9.116 1.00 0.00 N ATOM 286 CE2 TRP A 22 -6.410 -4.209 7.875 1.00 0.00 C ATOM 287 CE3 TRP A 22 -5.961 -3.254 5.703 1.00 0.00 C ATOM 288 CZ2 TRP A 22 -7.585 -4.802 7.421 1.00 0.00 C ATOM 289 CZ3 TRP A 22 -7.128 -3.843 5.254 1.00 0.00 C ATOM 290 CH2 TRP A 22 -7.929 -4.608 6.111 1.00 0.00 C ATOM 0 H TRP A 22 -1.130 -1.129 6.873 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.985 -3.802 7.359 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.949 -1.570 8.220 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -3.704 -1.405 6.647 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -4.007 -3.344 9.918 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -6.199 -4.716 9.934 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -5.350 -2.665 5.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.203 -5.394 8.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.427 -3.711 4.225 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.836 -5.054 5.730 1.00 0.00 H new ATOM 301 N ALA A 23 -2.288 -2.615 4.335 1.00 0.00 N ATOM 302 CA ALA A 23 -2.622 -2.961 2.959 1.00 0.00 C ATOM 303 C ALA A 23 -1.690 -4.042 2.420 1.00 0.00 C ATOM 304 O ALA A 23 -2.092 -4.873 1.606 1.00 0.00 O ATOM 305 CB ALA A 23 -2.564 -1.724 2.076 1.00 0.00 C ATOM 0 H ALA A 23 -1.803 -1.724 4.440 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.638 -3.357 2.947 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.816 -1.997 1.051 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.276 -0.984 2.440 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.558 -1.304 2.103 1.00 0.00 H new ATOM 311 N LEU A 24 -0.444 -4.024 2.881 1.00 0.00 N ATOM 312 CA LEU A 24 0.545 -5.003 2.444 1.00 0.00 C ATOM 313 C LEU A 24 0.400 -6.309 3.220 1.00 0.00 C ATOM 314 O LEU A 24 0.676 -7.387 2.695 1.00 0.00 O ATOM 315 CB LEU A 24 1.959 -4.446 2.623 1.00 0.00 C ATOM 316 CG LEU A 24 2.480 -3.614 1.451 1.00 0.00 C ATOM 317 CD1 LEU A 24 3.728 -2.846 1.855 1.00 0.00 C ATOM 318 CD2 LEU A 24 2.764 -4.505 0.251 1.00 0.00 C ATOM 0 H LEU A 24 -0.095 -3.344 3.556 1.00 0.00 H new ATOM 0 HA LEU A 24 0.373 -5.208 1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.980 -3.831 3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.643 -5.278 2.790 1.00 0.00 H new ATOM 0 HG LEU A 24 1.711 -2.894 1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.084 -2.260 1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.492 -2.179 2.684 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.503 -3.548 2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.134 -3.897 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.515 -5.248 0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.847 -5.009 -0.053 1.00 0.00 H new ATOM 330 N ASN A 25 -0.036 -6.204 4.470 1.00 0.00 N ATOM 331 CA ASN A 25 -0.219 -7.377 5.318 1.00 0.00 C ATOM 332 C ASN A 25 -1.415 -8.204 4.856 1.00 0.00 C ATOM 333 O ASN A 25 -1.451 -9.419 5.047 1.00 0.00 O ATOM 334 CB ASN A 25 -0.410 -6.953 6.775 1.00 0.00 C ATOM 335 CG ASN A 25 0.909 -6.686 7.477 1.00 0.00 C ATOM 336 OD1 ASN A 25 1.883 -6.265 6.854 1.00 0.00 O ATOM 337 ND2 ASN A 25 0.944 -6.931 8.781 1.00 0.00 N ATOM 0 H ASN A 25 -0.270 -5.319 4.919 1.00 0.00 H new ATOM 0 HA ASN A 25 0.677 -7.993 5.240 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.026 -6.055 6.811 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.952 -7.733 7.310 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.803 -6.771 9.307 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.112 -7.280 9.257 1.00 0.00 H new ATOM 344 N ASP A 26 -2.392 -7.537 4.249 1.00 0.00 N ATOM 345 CA ASP A 26 -3.590 -8.212 3.761 1.00 0.00 C ATOM 346 C ASP A 26 -3.231 -9.314 2.769 1.00 0.00 C ATOM 347 O ASP A 26 -3.937 -10.317 2.657 1.00 0.00 O ATOM 348 CB ASP A 26 -4.535 -7.206 3.101 1.00 0.00 C ATOM 349 CG ASP A 26 -5.948 -7.739 2.969 1.00 0.00 C ATOM 350 OD1 ASP A 26 -6.126 -8.795 2.326 1.00 0.00 O ATOM 351 OD2 ASP A 26 -6.876 -7.100 3.509 1.00 0.00 O ATOM 0 H ASP A 26 -2.378 -6.531 4.083 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.092 -8.667 4.615 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.550 -6.287 3.687 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.154 -6.948 2.113 1.00 0.00 H new ATOM 356 N LEU A 27 -2.130 -9.121 2.049 1.00 0.00 N ATOM 357 CA LEU A 27 -1.678 -10.099 1.067 1.00 0.00 C ATOM 358 C LEU A 27 -1.405 -11.448 1.725 1.00 0.00 C ATOM 359 O LEU A 27 -0.999 -11.511 2.886 1.00 0.00 O ATOM 360 CB LEU A 27 -0.417 -9.598 0.361 1.00 0.00 C ATOM 361 CG LEU A 27 -0.631 -8.414 -0.583 1.00 0.00 C ATOM 362 CD1 LEU A 27 0.579 -7.492 -0.567 1.00 0.00 C ATOM 363 CD2 LEU A 27 -0.909 -8.904 -1.996 1.00 0.00 C ATOM 0 H LEU A 27 -1.535 -8.296 2.128 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.471 -10.230 0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.315 -9.313 1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.015 -10.422 -0.207 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.497 -7.850 -0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.408 -6.656 -1.245 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.735 -7.114 0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.462 -8.045 -0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.059 -8.049 -2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.062 -9.491 -2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.806 -9.524 -1.996 1.00 0.00 H new ATOM 375 N GLU A 28 -1.629 -12.522 0.977 1.00 0.00 N ATOM 376 CA GLU A 28 -1.407 -13.870 1.488 1.00 0.00 C ATOM 377 C GLU A 28 0.017 -14.334 1.196 1.00 0.00 C ATOM 378 O GLU A 28 0.827 -13.582 0.655 1.00 0.00 O ATOM 379 CB GLU A 28 -2.414 -14.844 0.871 1.00 0.00 C ATOM 380 CG GLU A 28 -3.464 -15.336 1.855 1.00 0.00 C ATOM 381 CD GLU A 28 -3.249 -16.780 2.265 1.00 0.00 C ATOM 382 OE1 GLU A 28 -2.078 -17.212 2.322 1.00 0.00 O ATOM 383 OE2 GLU A 28 -4.249 -17.478 2.530 1.00 0.00 O ATOM 0 H GLU A 28 -1.964 -12.486 0.014 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.548 -13.852 2.569 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.913 -14.356 0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.877 -15.702 0.466 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.449 -14.704 2.743 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.452 -15.233 1.407 1.00 0.00 H new ATOM 390 N GLU A 29 0.314 -15.578 1.558 1.00 0.00 N ATOM 391 CA GLU A 29 1.640 -16.143 1.334 1.00 0.00 C ATOM 392 C GLU A 29 1.903 -16.343 -0.156 1.00 0.00 C ATOM 393 O GLU A 29 2.930 -15.909 -0.678 1.00 0.00 O ATOM 394 CB GLU A 29 1.780 -17.476 2.071 1.00 0.00 C ATOM 395 CG GLU A 29 3.209 -17.993 2.129 1.00 0.00 C ATOM 396 CD GLU A 29 3.781 -17.969 3.533 1.00 0.00 C ATOM 397 OE1 GLU A 29 3.246 -18.688 4.405 1.00 0.00 O ATOM 398 OE2 GLU A 29 4.765 -17.236 3.763 1.00 0.00 O ATOM 0 H GLU A 29 -0.345 -16.214 2.007 1.00 0.00 H new ATOM 0 HA GLU A 29 2.377 -15.440 1.723 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.403 -17.361 3.087 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.153 -18.220 1.580 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.238 -19.013 1.746 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.837 -17.389 1.474 1.00 0.00 H new ATOM 405 N ASN A 30 0.968 -17.001 -0.833 1.00 0.00 N ATOM 406 CA ASN A 30 1.099 -17.259 -2.262 1.00 0.00 C ATOM 407 C ASN A 30 1.084 -15.955 -3.055 1.00 0.00 C ATOM 408 O ASN A 30 1.715 -15.849 -4.107 1.00 0.00 O ATOM 409 CB ASN A 30 -0.028 -18.174 -2.743 1.00 0.00 C ATOM 410 CG ASN A 30 0.433 -19.152 -3.806 1.00 0.00 C ATOM 411 OD1 ASN A 30 1.507 -19.743 -3.696 1.00 0.00 O ATOM 412 ND2 ASN A 30 -0.379 -19.327 -4.841 1.00 0.00 N ATOM 0 H ASN A 30 0.112 -17.365 -0.415 1.00 0.00 H new ATOM 0 HA ASN A 30 2.056 -17.754 -2.429 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.430 -18.727 -1.894 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.841 -17.566 -3.141 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.122 -19.973 -5.587 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.260 -18.815 -4.890 1.00 0.00 H new ATOM 419 N SER A 31 0.359 -14.966 -2.542 1.00 0.00 N ATOM 420 CA SER A 31 0.263 -13.669 -3.202 1.00 0.00 C ATOM 421 C SER A 31 1.532 -12.851 -2.988 1.00 0.00 C ATOM 422 O SER A 31 2.012 -12.181 -3.901 1.00 0.00 O ATOM 423 CB SER A 31 -0.950 -12.897 -2.678 1.00 0.00 C ATOM 424 OG SER A 31 -2.087 -13.736 -2.584 1.00 0.00 O ATOM 0 H SER A 31 -0.170 -15.038 -1.673 1.00 0.00 H new ATOM 0 HA SER A 31 0.143 -13.842 -4.271 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.722 -12.477 -1.698 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.166 -12.059 -3.341 1.00 0.00 H new ATOM 0 HG SER A 31 -2.848 -13.219 -2.245 1.00 0.00 H new ATOM 430 N PHE A 32 2.072 -12.913 -1.775 1.00 0.00 N ATOM 431 CA PHE A 32 3.286 -12.178 -1.439 1.00 0.00 C ATOM 432 C PHE A 32 4.507 -12.815 -2.094 1.00 0.00 C ATOM 433 O PHE A 32 5.469 -12.129 -2.437 1.00 0.00 O ATOM 434 CB PHE A 32 3.473 -12.128 0.078 1.00 0.00 C ATOM 435 CG PHE A 32 4.258 -10.936 0.548 1.00 0.00 C ATOM 436 CD1 PHE A 32 3.760 -9.653 0.383 1.00 0.00 C ATOM 437 CD2 PHE A 32 5.493 -11.098 1.155 1.00 0.00 C ATOM 438 CE1 PHE A 32 4.478 -8.555 0.814 1.00 0.00 C ATOM 439 CE2 PHE A 32 6.217 -10.004 1.588 1.00 0.00 C ATOM 440 CZ PHE A 32 5.709 -8.730 1.417 1.00 0.00 C ATOM 0 H PHE A 32 1.688 -13.465 -1.008 1.00 0.00 H new ATOM 0 HA PHE A 32 3.183 -11.162 -1.819 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.494 -12.119 0.556 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.979 -13.037 0.404 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.799 -9.510 -0.088 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.894 -12.091 1.291 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.078 -7.561 0.680 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.179 -10.144 2.059 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.273 -7.873 1.754 1.00 0.00 H new ATOM 450 N LYS A 33 4.460 -14.134 -2.265 1.00 0.00 N ATOM 451 CA LYS A 33 5.563 -14.864 -2.878 1.00 0.00 C ATOM 452 C LYS A 33 5.784 -14.407 -4.318 1.00 0.00 C ATOM 453 O LYS A 33 6.920 -14.327 -4.785 1.00 0.00 O ATOM 454 CB LYS A 33 5.287 -16.369 -2.841 1.00 0.00 C ATOM 455 CG LYS A 33 6.435 -17.182 -2.263 1.00 0.00 C ATOM 456 CD LYS A 33 5.934 -18.261 -1.316 1.00 0.00 C ATOM 457 CE LYS A 33 6.803 -19.506 -1.379 1.00 0.00 C ATOM 458 NZ LYS A 33 6.018 -20.746 -1.121 1.00 0.00 N ATOM 0 H LYS A 33 3.670 -14.717 -1.988 1.00 0.00 H new ATOM 0 HA LYS A 33 6.468 -14.655 -2.308 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.389 -16.551 -2.250 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.079 -16.717 -3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.000 -17.642 -3.073 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.120 -16.520 -1.732 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.923 -17.875 -0.297 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.906 -18.520 -1.570 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.273 -19.571 -2.360 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.606 -19.426 -0.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.647 -21.572 -1.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.590 -20.695 -0.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.268 -20.837 -1.835 1.00 0.00 H new ATOM 472 N THR A 34 4.692 -14.112 -5.015 1.00 0.00 N ATOM 473 CA THR A 34 4.768 -13.664 -6.400 1.00 0.00 C ATOM 474 C THR A 34 4.834 -12.142 -6.478 1.00 0.00 C ATOM 475 O THR A 34 5.526 -11.583 -7.329 1.00 0.00 O ATOM 476 CB THR A 34 3.562 -14.174 -7.190 1.00 0.00 C ATOM 477 OG1 THR A 34 3.295 -15.531 -6.877 1.00 0.00 O ATOM 478 CG2 THR A 34 3.743 -14.076 -8.689 1.00 0.00 C ATOM 0 H THR A 34 3.744 -14.175 -4.643 1.00 0.00 H new ATOM 0 HA THR A 34 5.679 -14.072 -6.837 1.00 0.00 H new ATOM 0 HB THR A 34 2.732 -13.530 -6.898 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.800 -15.581 -6.033 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.851 -14.454 -9.189 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.902 -13.035 -8.969 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.607 -14.668 -8.991 1.00 0.00 H new ATOM 486 N LEU A 35 4.109 -11.477 -5.583 1.00 0.00 N ATOM 487 CA LEU A 35 4.086 -10.020 -5.550 1.00 0.00 C ATOM 488 C LEU A 35 5.465 -9.459 -5.221 1.00 0.00 C ATOM 489 O LEU A 35 5.822 -8.366 -5.659 1.00 0.00 O ATOM 490 CB LEU A 35 3.065 -9.529 -4.522 1.00 0.00 C ATOM 491 CG LEU A 35 2.812 -8.019 -4.532 1.00 0.00 C ATOM 492 CD1 LEU A 35 1.510 -7.699 -5.250 1.00 0.00 C ATOM 493 CD2 LEU A 35 2.785 -7.472 -3.112 1.00 0.00 C ATOM 0 H LEU A 35 3.530 -11.924 -4.872 1.00 0.00 H new ATOM 0 HA LEU A 35 3.797 -9.665 -6.539 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.119 -10.042 -4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.405 -9.819 -3.528 1.00 0.00 H new ATOM 0 HG LEU A 35 3.629 -7.539 -5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.348 -6.621 -5.246 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.565 -8.054 -6.279 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.682 -8.192 -4.740 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.604 -6.397 -3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.989 -7.960 -2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.743 -7.666 -2.629 1.00 0.00 H new ATOM 505 N LYS A 36 6.236 -10.215 -4.444 1.00 0.00 N ATOM 506 CA LYS A 36 7.577 -9.793 -4.054 1.00 0.00 C ATOM 507 C LYS A 36 8.443 -9.523 -5.282 1.00 0.00 C ATOM 508 O LYS A 36 9.139 -8.509 -5.352 1.00 0.00 O ATOM 509 CB LYS A 36 8.233 -10.860 -3.174 1.00 0.00 C ATOM 510 CG LYS A 36 8.311 -10.473 -1.706 1.00 0.00 C ATOM 511 CD LYS A 36 9.492 -11.137 -1.017 1.00 0.00 C ATOM 512 CE LYS A 36 9.383 -11.038 0.496 1.00 0.00 C ATOM 513 NZ LYS A 36 10.719 -11.075 1.153 1.00 0.00 N ATOM 0 H LYS A 36 5.955 -11.122 -4.072 1.00 0.00 H new ATOM 0 HA LYS A 36 7.489 -8.867 -3.486 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.673 -11.790 -3.267 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.240 -11.056 -3.544 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.399 -9.390 -1.618 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.387 -10.759 -1.204 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.544 -12.185 -1.311 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.418 -10.667 -1.347 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.873 -10.113 0.763 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.772 -11.859 0.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.732 -11.828 1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.452 -11.264 0.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.907 -10.159 1.609 1.00 0.00 H new ATOM 527 N PHE A 37 8.398 -10.436 -6.245 1.00 0.00 N ATOM 528 CA PHE A 37 9.178 -10.296 -7.469 1.00 0.00 C ATOM 529 C PHE A 37 8.708 -9.095 -8.282 1.00 0.00 C ATOM 530 O PHE A 37 9.504 -8.432 -8.947 1.00 0.00 O ATOM 531 CB PHE A 37 9.078 -11.570 -8.312 1.00 0.00 C ATOM 532 CG PHE A 37 10.379 -11.976 -8.942 1.00 0.00 C ATOM 533 CD1 PHE A 37 11.100 -11.079 -9.714 1.00 0.00 C ATOM 534 CD2 PHE A 37 10.882 -13.254 -8.762 1.00 0.00 C ATOM 535 CE1 PHE A 37 12.297 -11.450 -10.295 1.00 0.00 C ATOM 536 CE2 PHE A 37 12.079 -13.632 -9.340 1.00 0.00 C ATOM 537 CZ PHE A 37 12.788 -12.728 -10.108 1.00 0.00 C ATOM 0 H PHE A 37 7.829 -11.282 -6.202 1.00 0.00 H new ATOM 0 HA PHE A 37 10.219 -10.135 -7.189 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.718 -12.385 -7.683 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.335 -11.420 -9.096 1.00 0.00 H new ATOM 0 HD1 PHE A 37 10.722 -10.078 -9.863 1.00 0.00 H new ATOM 0 HD2 PHE A 37 10.332 -13.964 -8.162 1.00 0.00 H new ATOM 0 HE1 PHE A 37 12.849 -10.742 -10.895 1.00 0.00 H new ATOM 0 HE2 PHE A 37 12.460 -14.632 -9.192 1.00 0.00 H new ATOM 0 HZ PHE A 37 13.724 -13.020 -10.561 1.00 0.00 H new ATOM 547 N HIS A 38 7.409 -8.819 -8.223 1.00 0.00 N ATOM 548 CA HIS A 38 6.832 -7.696 -8.952 1.00 0.00 C ATOM 549 C HIS A 38 7.407 -6.372 -8.459 1.00 0.00 C ATOM 550 O HIS A 38 7.584 -5.434 -9.235 1.00 0.00 O ATOM 551 CB HIS A 38 5.310 -7.692 -8.803 1.00 0.00 C ATOM 552 CG HIS A 38 4.614 -8.621 -9.749 1.00 0.00 C ATOM 553 ND1 HIS A 38 4.496 -8.392 -11.102 1.00 0.00 N ATOM 554 CD2 HIS A 38 3.991 -9.803 -9.513 1.00 0.00 C ATOM 555 CE1 HIS A 38 3.820 -9.418 -11.635 1.00 0.00 C ATOM 556 NE2 HIS A 38 3.491 -10.303 -10.713 1.00 0.00 N ATOM 0 H HIS A 38 6.736 -9.358 -7.678 1.00 0.00 H new ATOM 0 HA HIS A 38 7.087 -7.811 -10.006 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.052 -7.968 -7.780 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.940 -6.679 -8.963 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.898 -10.280 -8.549 1.00 0.00 H new ATOM 0 HE1 HIS A 38 3.576 -9.509 -12.683 1.00 0.00 H new ATOM 0 HE2 HIS A 38 2.977 -11.173 -10.851 1.00 0.00 H new ATOM 564 N LEU A 39 7.696 -6.305 -7.164 1.00 0.00 N ATOM 565 CA LEU A 39 8.251 -5.095 -6.567 1.00 0.00 C ATOM 566 C LEU A 39 9.587 -4.734 -7.209 1.00 0.00 C ATOM 567 O LEU A 39 9.869 -3.563 -7.459 1.00 0.00 O ATOM 568 CB LEU A 39 8.430 -5.281 -5.059 1.00 0.00 C ATOM 569 CG LEU A 39 7.171 -5.712 -4.305 1.00 0.00 C ATOM 570 CD1 LEU A 39 7.540 -6.426 -3.014 1.00 0.00 C ATOM 571 CD2 LEU A 39 6.286 -4.509 -4.018 1.00 0.00 C ATOM 0 H LEU A 39 7.555 -7.073 -6.508 1.00 0.00 H new ATOM 0 HA LEU A 39 7.551 -4.279 -6.745 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.209 -6.025 -4.890 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.787 -4.344 -4.633 1.00 0.00 H new ATOM 0 HG LEU A 39 6.613 -6.407 -4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.632 -6.725 -2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.134 -7.310 -3.244 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.119 -5.755 -2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.394 -4.833 -3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.835 -3.790 -3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.993 -4.040 -4.958 1.00 0.00 H new ATOM 583 N ARG A 40 10.404 -5.748 -7.474 1.00 0.00 N ATOM 584 CA ARG A 40 11.712 -5.538 -8.086 1.00 0.00 C ATOM 585 C ARG A 40 11.579 -4.826 -9.429 1.00 0.00 C ATOM 586 O ARG A 40 12.483 -4.103 -9.850 1.00 0.00 O ATOM 587 CB ARG A 40 12.430 -6.875 -8.274 1.00 0.00 C ATOM 588 CG ARG A 40 13.938 -6.785 -8.109 1.00 0.00 C ATOM 589 CD ARG A 40 14.570 -8.162 -7.977 1.00 0.00 C ATOM 590 NE ARG A 40 15.772 -8.294 -8.797 1.00 0.00 N ATOM 591 CZ ARG A 40 15.771 -8.256 -10.128 1.00 0.00 C ATOM 592 NH1 ARG A 40 14.634 -8.094 -10.792 1.00 0.00 N ATOM 593 NH2 ARG A 40 16.909 -8.383 -10.796 1.00 0.00 N ATOM 0 H ARG A 40 10.184 -6.724 -7.275 1.00 0.00 H new ATOM 0 HA ARG A 40 12.300 -4.907 -7.419 1.00 0.00 H new ATOM 0 HB2 ARG A 40 12.037 -7.593 -7.555 1.00 0.00 H new ATOM 0 HB3 ARG A 40 12.204 -7.262 -9.267 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.368 -6.267 -8.966 1.00 0.00 H new ATOM 0 HG3 ARG A 40 14.173 -6.190 -7.227 1.00 0.00 H new ATOM 0 HD2 ARG A 40 14.822 -8.347 -6.933 1.00 0.00 H new ATOM 0 HD3 ARG A 40 13.846 -8.923 -8.270 1.00 0.00 H new ATOM 0 HE ARG A 40 16.665 -8.423 -8.322 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.755 -7.998 -10.283 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.638 -8.066 -11.812 1.00 0.00 H new ATOM 0 HH21 ARG A 40 17.786 -8.510 -10.290 1.00 0.00 H new ATOM 0 HH22 ARG A 40 16.908 -8.354 -11.816 1.00 0.00 H new ATOM 607 N ASP A 41 10.450 -5.037 -10.098 1.00 0.00 N ATOM 608 CA ASP A 41 10.204 -4.415 -11.395 1.00 0.00 C ATOM 609 C ASP A 41 9.802 -2.953 -11.231 1.00 0.00 C ATOM 610 O ASP A 41 10.444 -2.057 -11.782 1.00 0.00 O ATOM 611 CB ASP A 41 9.110 -5.174 -12.148 1.00 0.00 C ATOM 612 CG ASP A 41 9.481 -6.623 -12.399 1.00 0.00 C ATOM 613 OD1 ASP A 41 9.807 -7.331 -11.423 1.00 0.00 O ATOM 614 OD2 ASP A 41 9.447 -7.050 -13.572 1.00 0.00 O ATOM 0 H ASP A 41 9.692 -5.633 -9.765 1.00 0.00 H new ATOM 0 HA ASP A 41 11.129 -4.456 -11.970 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.183 -5.133 -11.576 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.919 -4.680 -13.101 1.00 0.00 H new ATOM 619 N VAL A 42 8.735 -2.716 -10.474 1.00 0.00 N ATOM 620 CA VAL A 42 8.249 -1.362 -10.242 1.00 0.00 C ATOM 621 C VAL A 42 9.324 -0.491 -9.601 1.00 0.00 C ATOM 622 O VAL A 42 9.422 0.703 -9.888 1.00 0.00 O ATOM 623 CB VAL A 42 6.999 -1.359 -9.340 1.00 0.00 C ATOM 624 CG1 VAL A 42 5.775 -1.814 -10.122 1.00 0.00 C ATOM 625 CG2 VAL A 42 7.219 -2.238 -8.119 1.00 0.00 C ATOM 0 H VAL A 42 8.191 -3.444 -10.011 1.00 0.00 H new ATOM 0 HA VAL A 42 7.987 -0.952 -11.217 1.00 0.00 H new ATOM 0 HB VAL A 42 6.823 -0.339 -8.997 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.902 -1.806 -9.469 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.607 -1.138 -10.961 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.938 -2.824 -10.497 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.326 -2.223 -7.494 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.422 -3.260 -8.438 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.068 -1.861 -7.548 1.00 0.00 H new ATOM 635 N THR A 43 10.129 -1.094 -8.732 1.00 0.00 N ATOM 636 CA THR A 43 11.199 -0.371 -8.052 1.00 0.00 C ATOM 637 C THR A 43 12.567 -0.869 -8.505 1.00 0.00 C ATOM 638 O THR A 43 12.876 -2.055 -8.391 1.00 0.00 O ATOM 639 CB THR A 43 11.063 -0.523 -6.536 1.00 0.00 C ATOM 640 OG1 THR A 43 11.166 -1.884 -6.157 1.00 0.00 O ATOM 641 CG2 THR A 43 9.753 0.007 -5.996 1.00 0.00 C ATOM 0 H THR A 43 10.061 -2.081 -8.482 1.00 0.00 H new ATOM 0 HA THR A 43 11.113 0.684 -8.313 1.00 0.00 H new ATOM 0 HB THR A 43 11.876 0.067 -6.113 1.00 0.00 H new ATOM 0 HG1 THR A 43 10.368 -2.368 -6.455 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.722 -0.132 -4.915 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.667 1.069 -6.228 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.925 -0.533 -6.455 1.00 0.00 H new ATOM 649 N GLN A 44 13.383 0.045 -9.021 1.00 0.00 N ATOM 650 CA GLN A 44 14.718 -0.301 -9.491 1.00 0.00 C ATOM 651 C GLN A 44 15.752 0.692 -8.965 1.00 0.00 C ATOM 652 O GLN A 44 16.489 1.307 -9.737 1.00 0.00 O ATOM 653 CB GLN A 44 14.749 -0.330 -11.021 1.00 0.00 C ATOM 654 CG GLN A 44 15.598 -1.455 -11.591 1.00 0.00 C ATOM 655 CD GLN A 44 14.764 -2.620 -12.087 1.00 0.00 C ATOM 656 OE1 GLN A 44 13.643 -2.439 -12.562 1.00 0.00 O ATOM 657 NE2 GLN A 44 15.309 -3.826 -11.978 1.00 0.00 N ATOM 0 H GLN A 44 13.142 1.031 -9.124 1.00 0.00 H new ATOM 0 HA GLN A 44 14.968 -1.292 -9.112 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.730 -0.430 -11.395 1.00 0.00 H new ATOM 0 HB3 GLN A 44 15.131 0.623 -11.387 1.00 0.00 H new ATOM 0 HG2 GLN A 44 16.202 -1.069 -12.412 1.00 0.00 H new ATOM 0 HG3 GLN A 44 16.289 -1.807 -10.825 1.00 0.00 H new ATOM 0 HE21 GLN A 44 16.241 -3.930 -11.578 1.00 0.00 H new ATOM 0 HE22 GLN A 44 14.795 -4.648 -12.294 1.00 0.00 H new ATOM 666 N PHE A 45 15.798 0.845 -7.646 1.00 0.00 N ATOM 667 CA PHE A 45 16.738 1.763 -7.014 1.00 0.00 C ATOM 668 C PHE A 45 17.965 1.020 -6.498 1.00 0.00 C ATOM 669 O PHE A 45 19.074 1.209 -6.997 1.00 0.00 O ATOM 670 CB PHE A 45 16.060 2.512 -5.866 1.00 0.00 C ATOM 671 CG PHE A 45 16.654 3.865 -5.598 1.00 0.00 C ATOM 672 CD1 PHE A 45 16.343 4.944 -6.409 1.00 0.00 C ATOM 673 CD2 PHE A 45 17.519 4.058 -4.533 1.00 0.00 C ATOM 674 CE1 PHE A 45 16.887 6.191 -6.165 1.00 0.00 C ATOM 675 CE2 PHE A 45 18.067 5.302 -4.285 1.00 0.00 C ATOM 676 CZ PHE A 45 17.750 6.370 -5.102 1.00 0.00 C ATOM 0 H PHE A 45 15.195 0.345 -6.993 1.00 0.00 H new ATOM 0 HA PHE A 45 17.063 2.482 -7.766 1.00 0.00 H new ATOM 0 HB2 PHE A 45 15.001 2.628 -6.094 1.00 0.00 H new ATOM 0 HB3 PHE A 45 16.127 1.909 -4.960 1.00 0.00 H new ATOM 0 HD1 PHE A 45 15.668 4.809 -7.241 1.00 0.00 H new ATOM 0 HD2 PHE A 45 17.768 3.227 -3.890 1.00 0.00 H new ATOM 0 HE1 PHE A 45 16.637 7.024 -6.805 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.742 5.439 -3.453 1.00 0.00 H new ATOM 0 HZ PHE A 45 18.176 7.343 -4.910 1.00 0.00 H new ATOM 686 N HIS A 46 17.760 0.173 -5.493 1.00 0.00 N ATOM 687 CA HIS A 46 18.852 -0.598 -4.909 1.00 0.00 C ATOM 688 C HIS A 46 18.352 -1.940 -4.384 1.00 0.00 C ATOM 689 O HIS A 46 18.891 -2.479 -3.417 1.00 0.00 O ATOM 690 CB HIS A 46 19.512 0.191 -3.777 1.00 0.00 C ATOM 691 CG HIS A 46 20.946 -0.174 -3.552 1.00 0.00 C ATOM 692 ND1 HIS A 46 22.009 0.625 -3.913 1.00 0.00 N ATOM 693 CD2 HIS A 46 21.488 -1.281 -2.983 1.00 0.00 C ATOM 694 CE1 HIS A 46 23.137 -0.008 -3.563 1.00 0.00 C ATOM 695 NE2 HIS A 46 22.875 -1.170 -2.994 1.00 0.00 N ATOM 0 H HIS A 46 16.849 0.004 -5.067 1.00 0.00 H new ATOM 0 HA HIS A 46 19.589 -0.786 -5.690 1.00 0.00 H new ATOM 0 HB2 HIS A 46 19.447 1.256 -4.001 1.00 0.00 H new ATOM 0 HB3 HIS A 46 18.954 0.025 -2.856 1.00 0.00 H new ATOM 0 HD2 HIS A 46 20.931 -2.116 -2.585 1.00 0.00 H new ATOM 0 HE1 HIS A 46 24.131 0.382 -3.725 1.00 0.00 H new ATOM 0 HE2 HIS A 46 23.550 -1.846 -2.636 1.00 0.00 H new ATOM 703 N LEU A 47 17.320 -2.475 -5.028 1.00 0.00 N ATOM 704 CA LEU A 47 16.749 -3.756 -4.625 1.00 0.00 C ATOM 705 C LEU A 47 16.908 -4.793 -5.732 1.00 0.00 C ATOM 706 O LEU A 47 16.297 -4.679 -6.794 1.00 0.00 O ATOM 707 CB LEU A 47 15.269 -3.590 -4.275 1.00 0.00 C ATOM 708 CG LEU A 47 14.933 -2.349 -3.445 1.00 0.00 C ATOM 709 CD1 LEU A 47 13.429 -2.139 -3.385 1.00 0.00 C ATOM 710 CD2 LEU A 47 15.513 -2.472 -2.044 1.00 0.00 C ATOM 0 H LEU A 47 16.862 -2.042 -5.830 1.00 0.00 H new ATOM 0 HA LEU A 47 17.287 -4.105 -3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 47 14.695 -3.555 -5.201 1.00 0.00 H new ATOM 0 HB3 LEU A 47 14.940 -4.474 -3.728 1.00 0.00 H new ATOM 0 HG LEU A 47 15.381 -1.480 -3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.209 -1.252 -2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.040 -2.005 -4.394 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.958 -3.009 -2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 47 15.264 -1.581 -1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 47 15.094 -3.350 -1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 47 16.596 -2.573 -2.106 1.00 0.00 H new ATOM 722 N ALA A 48 17.730 -5.804 -5.475 1.00 0.00 N ATOM 723 CA ALA A 48 17.967 -6.860 -6.454 1.00 0.00 C ATOM 724 C ALA A 48 18.743 -8.020 -5.840 1.00 0.00 C ATOM 725 O ALA A 48 18.435 -9.186 -6.089 1.00 0.00 O ATOM 726 CB ALA A 48 18.710 -6.304 -7.659 1.00 0.00 C ATOM 0 H ALA A 48 18.242 -5.915 -4.600 1.00 0.00 H new ATOM 0 HA ALA A 48 16.999 -7.241 -6.780 1.00 0.00 H new ATOM 0 HB1 ALA A 48 18.880 -7.102 -8.381 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.115 -5.517 -8.122 1.00 0.00 H new ATOM 0 HB3 ALA A 48 19.668 -5.894 -7.339 1.00 0.00 H new ATOM 732 N ARG A 49 19.753 -7.696 -5.039 1.00 0.00 N ATOM 733 CA ARG A 49 20.573 -8.715 -4.394 1.00 0.00 C ATOM 734 C ARG A 49 20.590 -8.527 -2.880 1.00 0.00 C ATOM 735 O ARG A 49 20.982 -7.473 -2.379 1.00 0.00 O ATOM 736 CB ARG A 49 22.001 -8.672 -4.946 1.00 0.00 C ATOM 737 CG ARG A 49 22.357 -9.874 -5.807 1.00 0.00 C ATOM 738 CD ARG A 49 23.360 -10.782 -5.112 1.00 0.00 C ATOM 739 NE ARG A 49 24.675 -10.157 -4.994 1.00 0.00 N ATOM 740 CZ ARG A 49 25.779 -10.812 -4.641 1.00 0.00 C ATOM 741 NH1 ARG A 49 25.730 -12.111 -4.371 1.00 0.00 N ATOM 742 NH2 ARG A 49 26.934 -10.168 -4.558 1.00 0.00 N ATOM 0 H ARG A 49 20.023 -6.737 -4.821 1.00 0.00 H new ATOM 0 HA ARG A 49 20.136 -9.690 -4.611 1.00 0.00 H new ATOM 0 HB2 ARG A 49 22.127 -7.764 -5.535 1.00 0.00 H new ATOM 0 HB3 ARG A 49 22.702 -8.612 -4.113 1.00 0.00 H new ATOM 0 HG2 ARG A 49 21.453 -10.438 -6.037 1.00 0.00 H new ATOM 0 HG3 ARG A 49 22.770 -9.533 -6.756 1.00 0.00 H new ATOM 0 HD2 ARG A 49 22.990 -11.038 -4.119 1.00 0.00 H new ATOM 0 HD3 ARG A 49 23.451 -11.715 -5.669 1.00 0.00 H new ATOM 0 HE ARG A 49 24.752 -9.160 -5.194 1.00 0.00 H new ATOM 0 HH11 ARG A 49 24.844 -12.612 -4.434 1.00 0.00 H new ATOM 0 HH12 ARG A 49 26.579 -12.608 -4.101 1.00 0.00 H new ATOM 0 HH21 ARG A 49 26.977 -9.170 -4.765 1.00 0.00 H new ATOM 0 HH22 ARG A 49 27.780 -10.670 -4.287 1.00 0.00 H new ATOM 756 N GLY A 50 20.166 -9.560 -2.158 1.00 0.00 N ATOM 757 CA GLY A 50 20.143 -9.495 -0.707 1.00 0.00 C ATOM 758 C GLY A 50 19.357 -8.307 -0.184 1.00 0.00 C ATOM 759 O GLY A 50 19.577 -7.857 0.940 1.00 0.00 O ATOM 0 H GLY A 50 19.838 -10.442 -2.552 1.00 0.00 H new ATOM 0 HA2 GLY A 50 19.708 -10.414 -0.314 1.00 0.00 H new ATOM 0 HA3 GLY A 50 21.166 -9.441 -0.334 1.00 0.00 H new ATOM 763 N GLU A 51 18.439 -7.797 -1.000 1.00 0.00 N ATOM 764 CA GLU A 51 17.620 -6.655 -0.609 1.00 0.00 C ATOM 765 C GLU A 51 16.139 -7.016 -0.625 1.00 0.00 C ATOM 766 O GLU A 51 15.475 -7.006 0.412 1.00 0.00 O ATOM 767 CB GLU A 51 17.878 -5.472 -1.545 1.00 0.00 C ATOM 768 CG GLU A 51 17.859 -4.124 -0.840 1.00 0.00 C ATOM 769 CD GLU A 51 19.032 -3.943 0.103 1.00 0.00 C ATOM 770 OE1 GLU A 51 19.006 -4.534 1.204 1.00 0.00 O ATOM 771 OE2 GLU A 51 19.977 -3.210 -0.258 1.00 0.00 O ATOM 0 H GLU A 51 18.244 -8.156 -1.935 1.00 0.00 H new ATOM 0 HA GLU A 51 17.896 -6.373 0.407 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.845 -5.606 -2.029 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.125 -5.472 -2.333 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.870 -3.328 -1.585 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.929 -4.024 -0.281 1.00 0.00 H new ATOM 778 N LEU A 52 15.626 -7.336 -1.808 1.00 0.00 N ATOM 779 CA LEU A 52 14.223 -7.701 -1.962 1.00 0.00 C ATOM 780 C LEU A 52 13.903 -8.974 -1.185 1.00 0.00 C ATOM 781 O LEU A 52 12.834 -9.095 -0.585 1.00 0.00 O ATOM 782 CB LEU A 52 13.884 -7.893 -3.441 1.00 0.00 C ATOM 783 CG LEU A 52 12.397 -8.079 -3.746 1.00 0.00 C ATOM 784 CD1 LEU A 52 11.742 -6.739 -4.041 1.00 0.00 C ATOM 785 CD2 LEU A 52 12.209 -9.036 -4.914 1.00 0.00 C ATOM 0 H LEU A 52 16.162 -7.350 -2.676 1.00 0.00 H new ATOM 0 HA LEU A 52 13.616 -6.890 -1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 52 14.248 -7.029 -3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.427 -8.762 -3.813 1.00 0.00 H new ATOM 0 HG LEU A 52 11.916 -8.510 -2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.684 -6.891 -4.256 1.00 0.00 H new ATOM 0 HD12 LEU A 52 11.846 -6.085 -3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 52 12.225 -6.280 -4.903 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.145 -9.157 -5.118 1.00 0.00 H new ATOM 0 HD22 LEU A 52 12.704 -8.633 -5.798 1.00 0.00 H new ATOM 0 HD23 LEU A 52 12.643 -10.004 -4.665 1.00 0.00 H new ATOM 797 N GLU A 53 14.835 -9.920 -1.200 1.00 0.00 N ATOM 798 CA GLU A 53 14.653 -11.186 -0.498 1.00 0.00 C ATOM 799 C GLU A 53 14.563 -10.965 1.009 1.00 0.00 C ATOM 800 O GLU A 53 13.879 -11.706 1.714 1.00 0.00 O ATOM 801 CB GLU A 53 15.806 -12.139 -0.818 1.00 0.00 C ATOM 802 CG GLU A 53 15.375 -13.590 -0.956 1.00 0.00 C ATOM 803 CD GLU A 53 16.552 -14.542 -1.043 1.00 0.00 C ATOM 804 OE1 GLU A 53 17.427 -14.488 -0.154 1.00 0.00 O ATOM 805 OE2 GLU A 53 16.599 -15.340 -2.002 1.00 0.00 O ATOM 0 H GLU A 53 15.725 -9.835 -1.691 1.00 0.00 H new ATOM 0 HA GLU A 53 13.718 -11.631 -0.837 1.00 0.00 H new ATOM 0 HB2 GLU A 53 16.283 -11.821 -1.745 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.557 -12.065 -0.031 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.754 -13.863 -0.103 1.00 0.00 H new ATOM 0 HG3 GLU A 53 14.758 -13.699 -1.848 1.00 0.00 H new ATOM 812 N SER A 54 15.258 -9.942 1.494 1.00 0.00 N ATOM 813 CA SER A 54 15.257 -9.624 2.919 1.00 0.00 C ATOM 814 C SER A 54 14.089 -8.710 3.273 1.00 0.00 C ATOM 815 O SER A 54 13.589 -8.734 4.398 1.00 0.00 O ATOM 816 CB SER A 54 16.577 -8.960 3.314 1.00 0.00 C ATOM 817 OG SER A 54 16.851 -9.149 4.691 1.00 0.00 O ATOM 0 H SER A 54 15.829 -9.319 0.923 1.00 0.00 H new ATOM 0 HA SER A 54 15.145 -10.556 3.474 1.00 0.00 H new ATOM 0 HB2 SER A 54 17.389 -9.376 2.718 1.00 0.00 H new ATOM 0 HB3 SER A 54 16.532 -7.894 3.092 1.00 0.00 H new ATOM 0 HG SER A 54 17.701 -8.717 4.918 1.00 0.00 H new ATOM 823 N LEU A 55 13.660 -7.903 2.307 1.00 0.00 N ATOM 824 CA LEU A 55 12.550 -6.979 2.519 1.00 0.00 C ATOM 825 C LEU A 55 11.297 -7.721 2.971 1.00 0.00 C ATOM 826 O LEU A 55 10.608 -8.347 2.163 1.00 0.00 O ATOM 827 CB LEU A 55 12.258 -6.199 1.234 1.00 0.00 C ATOM 828 CG LEU A 55 13.057 -4.906 1.066 1.00 0.00 C ATOM 829 CD1 LEU A 55 12.826 -4.313 -0.315 1.00 0.00 C ATOM 830 CD2 LEU A 55 12.681 -3.904 2.147 1.00 0.00 C ATOM 0 H LEU A 55 14.063 -7.870 1.371 1.00 0.00 H new ATOM 0 HA LEU A 55 12.838 -6.281 3.305 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.460 -6.846 0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.195 -5.958 1.207 1.00 0.00 H new ATOM 0 HG LEU A 55 14.117 -5.140 1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.402 -3.393 -0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.144 -5.027 -1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.766 -4.093 -0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.259 -2.990 2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.618 -3.675 2.077 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.897 -4.329 3.128 1.00 0.00 H new ATOM 842 N SER A 56 11.005 -7.646 4.265 1.00 0.00 N ATOM 843 CA SER A 56 9.833 -8.311 4.824 1.00 0.00 C ATOM 844 C SER A 56 8.572 -7.490 4.572 1.00 0.00 C ATOM 845 O SER A 56 8.622 -6.434 3.941 1.00 0.00 O ATOM 846 CB SER A 56 10.016 -8.537 6.326 1.00 0.00 C ATOM 847 OG SER A 56 11.179 -9.304 6.588 1.00 0.00 O ATOM 0 H SER A 56 11.563 -7.132 4.946 1.00 0.00 H new ATOM 0 HA SER A 56 9.723 -9.276 4.330 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.088 -7.576 6.836 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.141 -9.047 6.729 1.00 0.00 H new ATOM 0 HG SER A 56 11.850 -8.741 7.026 1.00 0.00 H new ATOM 853 N GLN A 57 7.442 -7.983 5.068 1.00 0.00 N ATOM 854 CA GLN A 57 6.167 -7.297 4.895 1.00 0.00 C ATOM 855 C GLN A 57 6.164 -5.962 5.634 1.00 0.00 C ATOM 856 O GLN A 57 5.713 -4.947 5.101 1.00 0.00 O ATOM 857 CB GLN A 57 5.019 -8.177 5.397 1.00 0.00 C ATOM 858 CG GLN A 57 3.930 -8.405 4.360 1.00 0.00 C ATOM 859 CD GLN A 57 3.622 -9.874 4.147 1.00 0.00 C ATOM 860 OE1 GLN A 57 4.498 -10.657 3.779 1.00 0.00 O ATOM 861 NE2 GLN A 57 2.371 -10.256 4.375 1.00 0.00 N ATOM 0 H GLN A 57 7.383 -8.855 5.593 1.00 0.00 H new ATOM 0 HA GLN A 57 6.027 -7.102 3.832 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.421 -9.141 5.708 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.578 -7.715 6.280 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.022 -7.890 4.673 1.00 0.00 H new ATOM 0 HG3 GLN A 57 4.238 -7.962 3.413 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.677 -9.573 4.679 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.104 -11.232 4.246 1.00 0.00 H new ATOM 870 N VAL A 58 6.667 -5.970 6.864 1.00 0.00 N ATOM 871 CA VAL A 58 6.722 -4.760 7.676 1.00 0.00 C ATOM 872 C VAL A 58 7.885 -3.867 7.255 1.00 0.00 C ATOM 873 O VAL A 58 7.730 -2.655 7.113 1.00 0.00 O ATOM 874 CB VAL A 58 6.860 -5.093 9.173 1.00 0.00 C ATOM 875 CG1 VAL A 58 6.756 -3.830 10.015 1.00 0.00 C ATOM 876 CG2 VAL A 58 5.812 -6.111 9.596 1.00 0.00 C ATOM 0 H VAL A 58 7.042 -6.801 7.320 1.00 0.00 H new ATOM 0 HA VAL A 58 5.784 -4.229 7.515 1.00 0.00 H new ATOM 0 HB VAL A 58 7.844 -5.531 9.337 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.856 -4.087 11.070 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.550 -3.138 9.733 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.788 -3.359 9.846 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.927 -6.332 10.657 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.817 -5.705 9.416 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.940 -7.026 9.018 1.00 0.00 H new ATOM 886 N ASP A 59 9.049 -4.476 7.056 1.00 0.00 N ATOM 887 CA ASP A 59 10.239 -3.737 6.651 1.00 0.00 C ATOM 888 C ASP A 59 10.014 -3.026 5.321 1.00 0.00 C ATOM 889 O ASP A 59 10.497 -1.914 5.110 1.00 0.00 O ATOM 890 CB ASP A 59 11.438 -4.680 6.542 1.00 0.00 C ATOM 891 CG ASP A 59 11.677 -5.464 7.817 1.00 0.00 C ATOM 892 OD1 ASP A 59 11.575 -4.865 8.909 1.00 0.00 O ATOM 893 OD2 ASP A 59 11.964 -6.675 7.726 1.00 0.00 O ATOM 0 H ASP A 59 9.194 -5.479 7.169 1.00 0.00 H new ATOM 0 HA ASP A 59 10.445 -2.985 7.413 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.277 -5.374 5.717 1.00 0.00 H new ATOM 0 HB3 ASP A 59 12.330 -4.102 6.302 1.00 0.00 H new ATOM 898 N LEU A 60 9.278 -3.676 4.426 1.00 0.00 N ATOM 899 CA LEU A 60 8.989 -3.105 3.115 1.00 0.00 C ATOM 900 C LEU A 60 8.236 -1.786 3.247 1.00 0.00 C ATOM 901 O LEU A 60 8.584 -0.795 2.607 1.00 0.00 O ATOM 902 CB LEU A 60 8.172 -4.089 2.276 1.00 0.00 C ATOM 903 CG LEU A 60 7.842 -3.614 0.860 1.00 0.00 C ATOM 904 CD1 LEU A 60 8.985 -3.933 -0.090 1.00 0.00 C ATOM 905 CD2 LEU A 60 6.548 -4.249 0.373 1.00 0.00 C ATOM 0 H LEU A 60 8.871 -4.598 4.584 1.00 0.00 H new ATOM 0 HA LEU A 60 9.938 -2.911 2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.721 -5.029 2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.239 -4.301 2.798 1.00 0.00 H new ATOM 0 HG LEU A 60 7.707 -2.533 0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.732 -3.588 -1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.891 -3.431 0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.153 -5.010 -0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.329 -3.900 -0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.655 -5.334 0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.732 -3.969 1.039 1.00 0.00 H new ATOM 917 N ALA A 61 7.201 -1.782 4.083 1.00 0.00 N ATOM 918 CA ALA A 61 6.398 -0.584 4.299 1.00 0.00 C ATOM 919 C ALA A 61 7.256 0.572 4.802 1.00 0.00 C ATOM 920 O ALA A 61 6.962 1.737 4.537 1.00 0.00 O ATOM 921 CB ALA A 61 5.273 -0.874 5.280 1.00 0.00 C ATOM 0 H ALA A 61 6.900 -2.595 4.621 1.00 0.00 H new ATOM 0 HA ALA A 61 5.966 -0.290 3.342 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.681 0.029 5.432 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.636 -1.662 4.880 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.695 -1.196 6.232 1.00 0.00 H new ATOM 927 N SER A 62 8.319 0.242 5.529 1.00 0.00 N ATOM 928 CA SER A 62 9.219 1.254 6.070 1.00 0.00 C ATOM 929 C SER A 62 10.243 1.687 5.024 1.00 0.00 C ATOM 930 O SER A 62 10.700 2.829 5.025 1.00 0.00 O ATOM 931 CB SER A 62 9.933 0.718 7.313 1.00 0.00 C ATOM 932 OG SER A 62 9.542 1.433 8.472 1.00 0.00 O ATOM 0 H SER A 62 8.578 -0.718 5.757 1.00 0.00 H new ATOM 0 HA SER A 62 8.624 2.124 6.349 1.00 0.00 H new ATOM 0 HB2 SER A 62 9.704 -0.340 7.440 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.012 0.797 7.179 1.00 0.00 H new ATOM 0 HG SER A 62 10.010 1.071 9.253 1.00 0.00 H new ATOM 938 N LYS A 63 10.597 0.767 4.133 1.00 0.00 N ATOM 939 CA LYS A 63 11.567 1.053 3.082 1.00 0.00 C ATOM 940 C LYS A 63 10.940 1.899 1.977 1.00 0.00 C ATOM 941 O LYS A 63 11.571 2.813 1.448 1.00 0.00 O ATOM 942 CB LYS A 63 12.114 -0.249 2.495 1.00 0.00 C ATOM 943 CG LYS A 63 13.352 -0.768 3.209 1.00 0.00 C ATOM 944 CD LYS A 63 14.605 -0.573 2.370 1.00 0.00 C ATOM 945 CE LYS A 63 15.529 -1.778 2.460 1.00 0.00 C ATOM 946 NZ LYS A 63 16.139 -2.110 1.143 1.00 0.00 N ATOM 0 H LYS A 63 10.227 -0.183 4.118 1.00 0.00 H new ATOM 0 HA LYS A 63 12.388 1.617 3.525 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.336 -1.011 2.536 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.351 -0.092 1.443 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.467 -0.251 4.162 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.226 -1.827 3.435 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.325 -0.405 1.330 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.134 0.319 2.706 1.00 0.00 H new ATOM 0 HE2 LYS A 63 16.318 -1.577 3.185 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.969 -2.638 2.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 17.059 -2.570 1.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 15.511 -2.754 0.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 16.274 -1.238 0.593 1.00 0.00 H new ATOM 960 N LEU A 64 9.694 1.586 1.635 1.00 0.00 N ATOM 961 CA LEU A 64 8.983 2.316 0.592 1.00 0.00 C ATOM 962 C LEU A 64 8.861 3.795 0.948 1.00 0.00 C ATOM 963 O LEU A 64 9.019 4.664 0.092 1.00 0.00 O ATOM 964 CB LEU A 64 7.592 1.716 0.379 1.00 0.00 C ATOM 965 CG LEU A 64 7.580 0.298 -0.197 1.00 0.00 C ATOM 966 CD1 LEU A 64 6.159 -0.243 -0.255 1.00 0.00 C ATOM 967 CD2 LEU A 64 8.218 0.278 -1.577 1.00 0.00 C ATOM 0 H LEU A 64 9.157 0.833 2.064 1.00 0.00 H new ATOM 0 HA LEU A 64 9.555 2.229 -0.332 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.066 1.709 1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.030 2.368 -0.289 1.00 0.00 H new ATOM 0 HG LEU A 64 8.165 -0.346 0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.170 -1.252 -0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.737 -0.266 0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.550 0.401 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.201 -0.738 -1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.661 0.936 -2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.250 0.622 -1.506 1.00 0.00 H new ATOM 979 N ILE A 65 8.578 4.072 2.217 1.00 0.00 N ATOM 980 CA ILE A 65 8.436 5.444 2.686 1.00 0.00 C ATOM 981 C ILE A 65 9.795 6.123 2.820 1.00 0.00 C ATOM 982 O ILE A 65 9.953 7.292 2.466 1.00 0.00 O ATOM 983 CB ILE A 65 7.709 5.502 4.044 1.00 0.00 C ATOM 984 CG1 ILE A 65 6.418 4.684 3.990 1.00 0.00 C ATOM 985 CG2 ILE A 65 7.413 6.945 4.427 1.00 0.00 C ATOM 986 CD1 ILE A 65 5.798 4.444 5.350 1.00 0.00 C ATOM 0 H ILE A 65 8.443 3.364 2.938 1.00 0.00 H new ATOM 0 HA ILE A 65 7.841 5.972 1.941 1.00 0.00 H new ATOM 0 HB ILE A 65 8.359 5.072 4.806 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.697 5.200 3.357 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.626 3.723 3.519 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.900 6.968 5.388 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.348 7.501 4.501 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.779 7.401 3.666 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.886 3.858 5.236 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.502 3.901 5.980 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.559 5.401 5.815 1.00 0.00 H new ATOM 998 N SER A 66 10.771 5.384 3.335 1.00 0.00 N ATOM 999 CA SER A 66 12.117 5.915 3.517 1.00 0.00 C ATOM 1000 C SER A 66 12.791 6.167 2.172 1.00 0.00 C ATOM 1001 O SER A 66 13.620 7.069 2.042 1.00 0.00 O ATOM 1002 CB SER A 66 12.961 4.948 4.349 1.00 0.00 C ATOM 1003 OG SER A 66 12.396 4.753 5.634 1.00 0.00 O ATOM 0 H SER A 66 10.656 4.416 3.634 1.00 0.00 H new ATOM 0 HA SER A 66 12.036 6.865 4.046 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.038 3.991 3.833 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.974 5.338 4.449 1.00 0.00 H new ATOM 0 HG SER A 66 11.561 4.246 5.551 1.00 0.00 H new ATOM 1009 N MET A 67 12.431 5.366 1.175 1.00 0.00 N ATOM 1010 CA MET A 67 13.002 5.503 -0.160 1.00 0.00 C ATOM 1011 C MET A 67 12.364 6.667 -0.911 1.00 0.00 C ATOM 1012 O MET A 67 13.054 7.451 -1.562 1.00 0.00 O ATOM 1013 CB MET A 67 12.817 4.207 -0.952 1.00 0.00 C ATOM 1014 CG MET A 67 13.880 3.161 -0.661 1.00 0.00 C ATOM 1015 SD MET A 67 13.956 1.878 -1.927 1.00 0.00 S ATOM 1016 CE MET A 67 12.670 0.767 -1.361 1.00 0.00 C ATOM 0 H MET A 67 11.747 4.615 1.266 1.00 0.00 H new ATOM 0 HA MET A 67 14.067 5.706 -0.052 1.00 0.00 H new ATOM 0 HB2 MET A 67 11.836 3.789 -0.726 1.00 0.00 H new ATOM 0 HB3 MET A 67 12.827 4.437 -2.017 1.00 0.00 H new ATOM 0 HG2 MET A 67 14.852 3.648 -0.584 1.00 0.00 H new ATOM 0 HG3 MET A 67 13.676 2.701 0.306 1.00 0.00 H new ATOM 0 HE1 MET A 67 13.124 -0.099 -0.878 1.00 0.00 H new ATOM 0 HE2 MET A 67 12.029 1.286 -0.648 1.00 0.00 H new ATOM 0 HE3 MET A 67 12.074 0.437 -2.212 1.00 0.00 H new ATOM 1026 N TYR A 68 11.042 6.774 -0.816 1.00 0.00 N ATOM 1027 CA TYR A 68 10.312 7.844 -1.489 1.00 0.00 C ATOM 1028 C TYR A 68 9.534 8.688 -0.484 1.00 0.00 C ATOM 1029 O TYR A 68 9.844 9.861 -0.271 1.00 0.00 O ATOM 1030 CB TYR A 68 9.355 7.261 -2.530 1.00 0.00 C ATOM 1031 CG TYR A 68 9.975 6.179 -3.386 1.00 0.00 C ATOM 1032 CD1 TYR A 68 11.017 6.466 -4.257 1.00 0.00 C ATOM 1033 CD2 TYR A 68 9.516 4.869 -3.321 1.00 0.00 C ATOM 1034 CE1 TYR A 68 11.586 5.480 -5.041 1.00 0.00 C ATOM 1035 CE2 TYR A 68 10.079 3.876 -4.101 1.00 0.00 C ATOM 1036 CZ TYR A 68 11.113 4.187 -4.958 1.00 0.00 C ATOM 1037 OH TYR A 68 11.676 3.201 -5.736 1.00 0.00 O ATOM 0 H TYR A 68 10.455 6.134 -0.281 1.00 0.00 H new ATOM 0 HA TYR A 68 11.038 8.484 -1.990 1.00 0.00 H new ATOM 0 HB2 TYR A 68 8.482 6.853 -2.020 1.00 0.00 H new ATOM 0 HB3 TYR A 68 9.001 8.065 -3.176 1.00 0.00 H new ATOM 0 HD1 TYR A 68 11.390 7.477 -4.323 1.00 0.00 H new ATOM 0 HD2 TYR A 68 8.706 4.623 -2.650 1.00 0.00 H new ATOM 0 HE1 TYR A 68 12.396 5.720 -5.714 1.00 0.00 H new ATOM 0 HE2 TYR A 68 9.711 2.863 -4.039 1.00 0.00 H new ATOM 0 HH TYR A 68 11.406 2.322 -5.396 1.00 0.00 H new ATOM 1047 N GLY A 69 8.522 8.084 0.132 1.00 0.00 N ATOM 1048 CA GLY A 69 7.715 8.795 1.107 1.00 0.00 C ATOM 1049 C GLY A 69 6.426 8.067 1.431 1.00 0.00 C ATOM 1050 O GLY A 69 6.087 7.073 0.789 1.00 0.00 O ATOM 0 H GLY A 69 8.247 7.115 -0.027 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.292 8.932 2.022 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.482 9.789 0.726 1.00 0.00 H new ATOM 1054 N ALA A 70 5.704 8.563 2.430 1.00 0.00 N ATOM 1055 CA ALA A 70 4.444 7.953 2.840 1.00 0.00 C ATOM 1056 C ALA A 70 3.401 8.042 1.731 1.00 0.00 C ATOM 1057 O ALA A 70 2.499 7.209 1.646 1.00 0.00 O ATOM 1058 CB ALA A 70 3.926 8.615 4.107 1.00 0.00 C ATOM 0 H ALA A 70 5.970 9.386 2.971 1.00 0.00 H new ATOM 0 HA ALA A 70 4.630 6.898 3.042 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.985 8.150 4.402 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.657 8.493 4.906 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.764 9.677 3.922 1.00 0.00 H new ATOM 1064 N GLN A 71 3.528 9.057 0.882 1.00 0.00 N ATOM 1065 CA GLN A 71 2.595 9.254 -0.221 1.00 0.00 C ATOM 1066 C GLN A 71 2.944 8.354 -1.401 1.00 0.00 C ATOM 1067 O GLN A 71 2.070 7.718 -1.990 1.00 0.00 O ATOM 1068 CB GLN A 71 2.598 10.718 -0.664 1.00 0.00 C ATOM 1069 CG GLN A 71 2.229 11.691 0.445 1.00 0.00 C ATOM 1070 CD GLN A 71 2.607 13.121 0.115 1.00 0.00 C ATOM 1071 OE1 GLN A 71 1.927 13.791 -0.662 1.00 0.00 O ATOM 1072 NE2 GLN A 71 3.696 13.598 0.707 1.00 0.00 N ATOM 0 H GLN A 71 4.269 9.756 0.937 1.00 0.00 H new ATOM 0 HA GLN A 71 1.598 8.989 0.131 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.588 10.972 -1.044 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.898 10.840 -1.491 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.156 11.636 0.630 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.727 11.391 1.367 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.230 13.007 1.344 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.998 14.555 0.524 1.00 0.00 H new ATOM 1081 N GLU A 72 4.228 8.305 -1.744 1.00 0.00 N ATOM 1082 CA GLU A 72 4.692 7.485 -2.857 1.00 0.00 C ATOM 1083 C GLU A 72 4.770 6.014 -2.457 1.00 0.00 C ATOM 1084 O GLU A 72 4.607 5.125 -3.293 1.00 0.00 O ATOM 1085 CB GLU A 72 6.061 7.970 -3.339 1.00 0.00 C ATOM 1086 CG GLU A 72 6.166 8.093 -4.850 1.00 0.00 C ATOM 1087 CD GLU A 72 7.269 7.230 -5.432 1.00 0.00 C ATOM 1088 OE1 GLU A 72 7.205 5.995 -5.268 1.00 0.00 O ATOM 1089 OE2 GLU A 72 8.196 7.792 -6.053 1.00 0.00 O ATOM 0 H GLU A 72 4.965 8.824 -1.267 1.00 0.00 H new ATOM 0 HA GLU A 72 3.973 7.582 -3.671 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.273 8.940 -2.888 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.827 7.280 -2.985 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.214 7.812 -5.300 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.348 9.135 -5.114 1.00 0.00 H new ATOM 1096 N ALA A 73 5.024 5.765 -1.176 1.00 0.00 N ATOM 1097 CA ALA A 73 5.125 4.401 -0.667 1.00 0.00 C ATOM 1098 C ALA A 73 3.852 3.609 -0.948 1.00 0.00 C ATOM 1099 O ALA A 73 3.892 2.390 -1.111 1.00 0.00 O ATOM 1100 CB ALA A 73 5.420 4.416 0.825 1.00 0.00 C ATOM 0 H ALA A 73 5.164 6.489 -0.472 1.00 0.00 H new ATOM 0 HA ALA A 73 5.947 3.908 -1.186 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.493 3.392 1.192 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.362 4.934 1.004 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.617 4.933 1.350 1.00 0.00 H new ATOM 1106 N VAL A 74 2.723 4.308 -1.003 1.00 0.00 N ATOM 1107 CA VAL A 74 1.440 3.668 -1.263 1.00 0.00 C ATOM 1108 C VAL A 74 1.264 3.368 -2.748 1.00 0.00 C ATOM 1109 O VAL A 74 0.628 2.382 -3.121 1.00 0.00 O ATOM 1110 CB VAL A 74 0.266 4.543 -0.786 1.00 0.00 C ATOM 1111 CG1 VAL A 74 -1.043 3.776 -0.875 1.00 0.00 C ATOM 1112 CG2 VAL A 74 0.509 5.037 0.633 1.00 0.00 C ATOM 0 H VAL A 74 2.671 5.318 -0.871 1.00 0.00 H new ATOM 0 HA VAL A 74 1.437 2.733 -0.703 1.00 0.00 H new ATOM 0 HB VAL A 74 0.196 5.412 -1.441 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.861 4.411 -0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.221 3.479 -1.909 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.987 2.887 -0.247 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.331 5.654 0.953 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.608 4.183 1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.424 5.628 0.661 1.00 0.00 H new ATOM 1122 N ARG A 75 1.830 4.225 -3.592 1.00 0.00 N ATOM 1123 CA ARG A 75 1.734 4.051 -5.036 1.00 0.00 C ATOM 1124 C ARG A 75 2.462 2.787 -5.484 1.00 0.00 C ATOM 1125 O ARG A 75 2.080 2.154 -6.467 1.00 0.00 O ATOM 1126 CB ARG A 75 2.309 5.273 -5.757 1.00 0.00 C ATOM 1127 CG ARG A 75 1.331 5.928 -6.718 1.00 0.00 C ATOM 1128 CD ARG A 75 2.053 6.704 -7.808 1.00 0.00 C ATOM 1129 NE ARG A 75 2.275 5.893 -9.002 1.00 0.00 N ATOM 1130 CZ ARG A 75 2.548 6.400 -10.203 1.00 0.00 C ATOM 1131 NH1 ARG A 75 2.635 7.714 -10.372 1.00 0.00 N ATOM 1132 NH2 ARG A 75 2.734 5.592 -11.237 1.00 0.00 N ATOM 0 H ARG A 75 2.360 5.046 -3.300 1.00 0.00 H new ATOM 0 HA ARG A 75 0.680 3.949 -5.295 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.624 6.007 -5.015 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.201 4.973 -6.307 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.699 5.164 -7.172 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.673 6.600 -6.167 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.469 7.586 -8.072 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.011 7.058 -7.427 1.00 0.00 H new ATOM 0 HE ARG A 75 2.218 4.879 -8.911 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.493 8.341 -9.580 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.844 8.097 -11.294 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.668 4.582 -11.113 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.943 5.980 -12.157 1.00 0.00 H new ATOM 1146 N VAL A 76 3.516 2.426 -4.757 1.00 0.00 N ATOM 1147 CA VAL A 76 4.297 1.239 -5.081 1.00 0.00 C ATOM 1148 C VAL A 76 3.431 -0.017 -5.047 1.00 0.00 C ATOM 1149 O VAL A 76 3.594 -0.915 -5.871 1.00 0.00 O ATOM 1150 CB VAL A 76 5.477 1.059 -4.107 1.00 0.00 C ATOM 1151 CG1 VAL A 76 6.393 -0.060 -4.577 1.00 0.00 C ATOM 1152 CG2 VAL A 76 6.248 2.362 -3.957 1.00 0.00 C ATOM 0 H VAL A 76 3.848 2.939 -3.940 1.00 0.00 H new ATOM 0 HA VAL A 76 4.685 1.383 -6.089 1.00 0.00 H new ATOM 0 HB VAL A 76 5.079 0.784 -3.130 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.220 -0.172 -3.876 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.832 -0.993 -4.627 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.785 0.181 -5.565 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.078 2.216 -3.265 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.635 2.670 -4.928 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.584 3.135 -3.569 1.00 0.00 H new ATOM 1162 N VAL A 77 2.513 -0.071 -4.088 1.00 0.00 N ATOM 1163 CA VAL A 77 1.623 -1.217 -3.948 1.00 0.00 C ATOM 1164 C VAL A 77 0.546 -1.216 -5.027 1.00 0.00 C ATOM 1165 O VAL A 77 0.355 -2.209 -5.728 1.00 0.00 O ATOM 1166 CB VAL A 77 0.946 -1.238 -2.564 1.00 0.00 C ATOM 1167 CG1 VAL A 77 0.180 -2.536 -2.362 1.00 0.00 C ATOM 1168 CG2 VAL A 77 1.977 -1.040 -1.463 1.00 0.00 C ATOM 0 H VAL A 77 2.366 0.665 -3.397 1.00 0.00 H new ATOM 0 HA VAL A 77 2.240 -2.109 -4.057 1.00 0.00 H new ATOM 0 HB VAL A 77 0.234 -0.414 -2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.291 -2.531 -1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.587 -2.629 -3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.868 -3.379 -2.431 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.481 -1.058 -0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.715 -1.841 -1.508 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.474 -0.080 -1.599 1.00 0.00 H new ATOM 1178 N SER A 78 -0.157 -0.094 -5.153 1.00 0.00 N ATOM 1179 CA SER A 78 -1.219 0.037 -6.147 1.00 0.00 C ATOM 1180 C SER A 78 -0.693 -0.248 -7.551 1.00 0.00 C ATOM 1181 O SER A 78 -1.433 -0.716 -8.417 1.00 0.00 O ATOM 1182 CB SER A 78 -1.826 1.439 -6.092 1.00 0.00 C ATOM 1183 OG SER A 78 -2.685 1.667 -7.195 1.00 0.00 O ATOM 0 H SER A 78 -0.011 0.737 -4.580 1.00 0.00 H new ATOM 0 HA SER A 78 -1.991 -0.696 -5.914 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.382 1.561 -5.163 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.030 2.183 -6.087 1.00 0.00 H new ATOM 0 HG SER A 78 -3.061 2.570 -7.135 1.00 0.00 H new ATOM 1189 N ARG A 79 0.585 0.040 -7.770 1.00 0.00 N ATOM 1190 CA ARG A 79 1.206 -0.185 -9.070 1.00 0.00 C ATOM 1191 C ARG A 79 1.394 -1.677 -9.333 1.00 0.00 C ATOM 1192 O ARG A 79 1.361 -2.124 -10.480 1.00 0.00 O ATOM 1193 CB ARG A 79 2.555 0.535 -9.145 1.00 0.00 C ATOM 1194 CG ARG A 79 2.522 1.797 -9.993 1.00 0.00 C ATOM 1195 CD ARG A 79 3.794 1.955 -10.809 1.00 0.00 C ATOM 1196 NE ARG A 79 4.803 2.743 -10.104 1.00 0.00 N ATOM 1197 CZ ARG A 79 6.098 2.733 -10.411 1.00 0.00 C ATOM 1198 NH1 ARG A 79 6.547 1.980 -11.407 1.00 0.00 N ATOM 1199 NH2 ARG A 79 6.948 3.479 -9.718 1.00 0.00 N ATOM 0 H ARG A 79 1.211 0.429 -7.065 1.00 0.00 H new ATOM 0 HA ARG A 79 0.544 0.218 -9.837 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.877 0.793 -8.136 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.300 -0.148 -9.553 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.662 1.765 -10.662 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.392 2.666 -9.348 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.200 0.971 -11.041 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.558 2.435 -11.759 1.00 0.00 H new ATOM 0 HE ARG A 79 4.497 3.335 -9.332 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.898 1.404 -11.943 1.00 0.00 H new ATOM 0 HH12 ARG A 79 7.541 1.977 -11.637 1.00 0.00 H new ATOM 0 HH21 ARG A 79 6.609 4.059 -8.951 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.941 3.472 -9.952 1.00 0.00 H new ATOM 1213 N SER A 80 1.592 -2.442 -8.264 1.00 0.00 N ATOM 1214 CA SER A 80 1.786 -3.883 -8.381 1.00 0.00 C ATOM 1215 C SER A 80 0.447 -4.611 -8.436 1.00 0.00 C ATOM 1216 O SER A 80 0.330 -5.670 -9.053 1.00 0.00 O ATOM 1217 CB SER A 80 2.615 -4.404 -7.206 1.00 0.00 C ATOM 1218 OG SER A 80 3.996 -4.422 -7.524 1.00 0.00 O ATOM 0 H SER A 80 1.622 -2.088 -7.308 1.00 0.00 H new ATOM 0 HA SER A 80 2.322 -4.077 -9.310 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.448 -3.775 -6.332 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.286 -5.409 -6.942 1.00 0.00 H new ATOM 0 HG SER A 80 4.504 -4.757 -6.756 1.00 0.00 H new ATOM 1224 N LEU A 81 -0.562 -4.039 -7.785 1.00 0.00 N ATOM 1225 CA LEU A 81 -1.892 -4.637 -7.760 1.00 0.00 C ATOM 1226 C LEU A 81 -2.445 -4.799 -9.172 1.00 0.00 C ATOM 1227 O LEU A 81 -2.967 -5.855 -9.527 1.00 0.00 O ATOM 1228 CB LEU A 81 -2.844 -3.780 -6.922 1.00 0.00 C ATOM 1229 CG LEU A 81 -2.507 -3.704 -5.432 1.00 0.00 C ATOM 1230 CD1 LEU A 81 -3.338 -2.628 -4.751 1.00 0.00 C ATOM 1231 CD2 LEU A 81 -2.734 -5.054 -4.766 1.00 0.00 C ATOM 0 H LEU A 81 -0.483 -3.163 -7.268 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.809 -5.625 -7.307 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.851 -2.769 -7.329 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.854 -4.175 -7.031 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.454 -3.441 -5.330 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.085 -2.589 -3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.129 -1.662 -5.210 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.397 -2.861 -4.862 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.490 -4.983 -3.706 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.779 -5.344 -4.879 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.097 -5.803 -5.236 1.00 0.00 H new ATOM 1243 N LEU A 82 -2.328 -3.744 -9.973 1.00 0.00 N ATOM 1244 CA LEU A 82 -2.817 -3.770 -11.346 1.00 0.00 C ATOM 1245 C LEU A 82 -2.124 -4.864 -12.151 1.00 0.00 C ATOM 1246 O LEU A 82 -2.712 -5.444 -13.063 1.00 0.00 O ATOM 1247 CB LEU A 82 -2.596 -2.411 -12.013 1.00 0.00 C ATOM 1248 CG LEU A 82 -3.384 -1.252 -11.400 1.00 0.00 C ATOM 1249 CD1 LEU A 82 -3.154 0.027 -12.188 1.00 0.00 C ATOM 1250 CD2 LEU A 82 -4.867 -1.587 -11.346 1.00 0.00 C ATOM 0 H LEU A 82 -1.899 -2.862 -9.694 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.885 -3.986 -11.321 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.534 -2.171 -11.970 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.862 -2.493 -13.067 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.029 -1.095 -10.382 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.723 0.840 -11.737 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.093 0.276 -12.176 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.481 -0.116 -13.218 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.413 -0.752 -10.907 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.235 -1.771 -12.355 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.017 -2.478 -10.737 1.00 0.00 H new ATOM 1262 N ALA A 83 -0.871 -5.141 -11.808 1.00 0.00 N ATOM 1263 CA ALA A 83 -0.099 -6.167 -12.500 1.00 0.00 C ATOM 1264 C ALA A 83 -0.480 -7.561 -12.013 1.00 0.00 C ATOM 1265 O ALA A 83 -0.423 -8.530 -12.770 1.00 0.00 O ATOM 1266 CB ALA A 83 1.391 -5.927 -12.304 1.00 0.00 C ATOM 0 H ALA A 83 -0.368 -4.670 -11.056 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.330 -6.106 -13.564 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.956 -6.700 -12.826 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.658 -4.949 -12.705 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.628 -5.960 -11.241 1.00 0.00 H new ATOM 1272 N MET A 84 -0.870 -7.653 -10.746 1.00 0.00 N ATOM 1273 CA MET A 84 -1.262 -8.929 -10.156 1.00 0.00 C ATOM 1274 C MET A 84 -2.780 -9.114 -10.189 1.00 0.00 C ATOM 1275 O MET A 84 -3.296 -10.134 -9.731 1.00 0.00 O ATOM 1276 CB MET A 84 -0.757 -9.023 -8.715 1.00 0.00 C ATOM 1277 CG MET A 84 0.578 -9.739 -8.584 1.00 0.00 C ATOM 1278 SD MET A 84 0.402 -11.436 -7.999 1.00 0.00 S ATOM 1279 CE MET A 84 -0.126 -11.159 -6.310 1.00 0.00 C ATOM 0 H MET A 84 -0.923 -6.859 -10.107 1.00 0.00 H new ATOM 0 HA MET A 84 -0.810 -9.724 -10.749 1.00 0.00 H new ATOM 0 HB2 MET A 84 -0.662 -8.017 -8.306 1.00 0.00 H new ATOM 0 HB3 MET A 84 -1.500 -9.544 -8.112 1.00 0.00 H new ATOM 0 HG2 MET A 84 1.080 -9.743 -9.551 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.217 -9.186 -7.895 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.308 -11.922 -5.663 1.00 0.00 H new ATOM 0 HE2 MET A 84 0.206 -10.174 -5.982 1.00 0.00 H new ATOM 0 HE3 MET A 84 -1.213 -11.213 -6.255 1.00 0.00 H new ATOM 1289 N ASN A 85 -3.492 -8.127 -10.730 1.00 0.00 N ATOM 1290 CA ASN A 85 -4.947 -8.191 -10.817 1.00 0.00 C ATOM 1291 C ASN A 85 -5.575 -8.171 -9.427 1.00 0.00 C ATOM 1292 O ASN A 85 -6.013 -9.203 -8.917 1.00 0.00 O ATOM 1293 CB ASN A 85 -5.383 -9.449 -11.574 1.00 0.00 C ATOM 1294 CG ASN A 85 -5.762 -9.156 -13.012 1.00 0.00 C ATOM 1295 OD1 ASN A 85 -6.905 -9.364 -13.419 1.00 0.00 O ATOM 1296 ND2 ASN A 85 -4.802 -8.672 -13.790 1.00 0.00 N ATOM 0 H ASN A 85 -3.084 -7.275 -11.114 1.00 0.00 H new ATOM 0 HA ASN A 85 -5.292 -7.314 -11.364 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.574 -10.179 -11.556 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -6.232 -9.902 -11.062 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -4.998 -8.457 -14.768 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -3.868 -8.515 -13.410 1.00 0.00 H new ATOM 1303 N LEU A 86 -5.617 -6.989 -8.820 1.00 0.00 N ATOM 1304 CA LEU A 86 -6.192 -6.832 -7.490 1.00 0.00 C ATOM 1305 C LEU A 86 -6.828 -5.455 -7.334 1.00 0.00 C ATOM 1306 O LEU A 86 -6.149 -4.432 -7.427 1.00 0.00 O ATOM 1307 CB LEU A 86 -5.118 -7.035 -6.419 1.00 0.00 C ATOM 1308 CG LEU A 86 -4.584 -8.463 -6.300 1.00 0.00 C ATOM 1309 CD1 LEU A 86 -3.202 -8.466 -5.665 1.00 0.00 C ATOM 1310 CD2 LEU A 86 -5.546 -9.325 -5.495 1.00 0.00 C ATOM 0 H LEU A 86 -5.259 -6.126 -9.229 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.967 -7.588 -7.364 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.283 -6.368 -6.633 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.527 -6.735 -5.454 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.500 -8.884 -7.302 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.839 -9.491 -5.589 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.517 -7.883 -6.281 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.258 -8.026 -4.669 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.151 -10.338 -5.420 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.661 -8.905 -4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.516 -9.350 -5.992 1.00 0.00 H new ATOM 1322 N MET A 87 -8.136 -5.435 -7.097 1.00 0.00 N ATOM 1323 CA MET A 87 -8.864 -4.182 -6.931 1.00 0.00 C ATOM 1324 C MET A 87 -9.310 -3.993 -5.483 1.00 0.00 C ATOM 1325 O MET A 87 -9.535 -2.868 -5.035 1.00 0.00 O ATOM 1326 CB MET A 87 -10.080 -4.147 -7.858 1.00 0.00 C ATOM 1327 CG MET A 87 -9.719 -3.987 -9.327 1.00 0.00 C ATOM 1328 SD MET A 87 -10.550 -2.587 -10.102 1.00 0.00 S ATOM 1329 CE MET A 87 -9.216 -1.394 -10.162 1.00 0.00 C ATOM 0 H MET A 87 -8.713 -6.272 -7.016 1.00 0.00 H new ATOM 0 HA MET A 87 -8.190 -3.366 -7.193 1.00 0.00 H new ATOM 0 HB2 MET A 87 -10.651 -5.067 -7.730 1.00 0.00 H new ATOM 0 HB3 MET A 87 -10.730 -3.325 -7.560 1.00 0.00 H new ATOM 0 HG2 MET A 87 -8.640 -3.860 -9.420 1.00 0.00 H new ATOM 0 HG3 MET A 87 -9.980 -4.900 -9.862 1.00 0.00 H new ATOM 0 HE1 MET A 87 -9.574 -0.471 -10.617 1.00 0.00 H new ATOM 0 HE2 MET A 87 -8.866 -1.188 -9.150 1.00 0.00 H new ATOM 0 HE3 MET A 87 -8.395 -1.796 -10.755 1.00 0.00 H new ATOM 1339 N GLU A 88 -9.438 -5.099 -4.754 1.00 0.00 N ATOM 1340 CA GLU A 88 -9.858 -5.051 -3.357 1.00 0.00 C ATOM 1341 C GLU A 88 -8.939 -4.147 -2.540 1.00 0.00 C ATOM 1342 O GLU A 88 -9.372 -3.515 -1.575 1.00 0.00 O ATOM 1343 CB GLU A 88 -9.871 -6.458 -2.758 1.00 0.00 C ATOM 1344 CG GLU A 88 -10.914 -7.374 -3.377 1.00 0.00 C ATOM 1345 CD GLU A 88 -10.300 -8.569 -4.080 1.00 0.00 C ATOM 1346 OE1 GLU A 88 -9.417 -9.219 -3.484 1.00 0.00 O ATOM 1347 OE2 GLU A 88 -10.704 -8.855 -5.227 1.00 0.00 O ATOM 0 H GLU A 88 -9.257 -6.038 -5.108 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.866 -4.638 -3.323 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.885 -6.906 -2.884 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.054 -6.386 -1.686 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.592 -7.724 -2.599 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.513 -6.807 -4.089 1.00 0.00 H new ATOM 1354 N LEU A 89 -7.671 -4.089 -2.933 1.00 0.00 N ATOM 1355 CA LEU A 89 -6.692 -3.263 -2.236 1.00 0.00 C ATOM 1356 C LEU A 89 -6.605 -1.875 -2.862 1.00 0.00 C ATOM 1357 O LEU A 89 -6.292 -0.896 -2.184 1.00 0.00 O ATOM 1358 CB LEU A 89 -5.318 -3.934 -2.263 1.00 0.00 C ATOM 1359 CG LEU A 89 -5.092 -4.991 -1.180 1.00 0.00 C ATOM 1360 CD1 LEU A 89 -3.797 -5.746 -1.433 1.00 0.00 C ATOM 1361 CD2 LEU A 89 -5.075 -4.345 0.198 1.00 0.00 C ATOM 0 H LEU A 89 -7.297 -4.604 -3.730 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.017 -3.154 -1.201 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.177 -4.399 -3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.553 -3.164 -2.163 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.916 -5.704 -1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.653 -6.493 -0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.847 -6.240 -2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.961 -5.047 -1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.913 -5.111 0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.271 -3.611 0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.029 -3.850 0.380 1.00 0.00 H new ATOM 1373 N VAL A 90 -6.884 -1.796 -4.160 1.00 0.00 N ATOM 1374 CA VAL A 90 -6.838 -0.526 -4.875 1.00 0.00 C ATOM 1375 C VAL A 90 -7.965 0.398 -4.425 1.00 0.00 C ATOM 1376 O VAL A 90 -7.811 1.620 -4.411 1.00 0.00 O ATOM 1377 CB VAL A 90 -6.934 -0.734 -6.400 1.00 0.00 C ATOM 1378 CG1 VAL A 90 -6.745 0.585 -7.136 1.00 0.00 C ATOM 1379 CG2 VAL A 90 -5.913 -1.760 -6.864 1.00 0.00 C ATOM 0 H VAL A 90 -7.144 -2.596 -4.737 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.879 -0.065 -4.640 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.929 -1.113 -6.632 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.816 0.416 -8.210 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.519 1.288 -6.827 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.764 0.997 -6.898 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.996 -1.894 -7.943 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.910 -1.412 -6.617 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.100 -2.711 -6.365 1.00 0.00 H new ATOM 1389 N ASP A 91 -9.097 -0.192 -4.059 1.00 0.00 N ATOM 1390 CA ASP A 91 -10.250 0.578 -3.609 1.00 0.00 C ATOM 1391 C ASP A 91 -9.993 1.190 -2.235 1.00 0.00 C ATOM 1392 O ASP A 91 -10.472 2.283 -1.932 1.00 0.00 O ATOM 1393 CB ASP A 91 -11.495 -0.309 -3.559 1.00 0.00 C ATOM 1394 CG ASP A 91 -12.779 0.497 -3.591 1.00 0.00 C ATOM 1395 OD1 ASP A 91 -12.731 1.705 -3.278 1.00 0.00 O ATOM 1396 OD2 ASP A 91 -13.834 -0.080 -3.930 1.00 0.00 O ATOM 0 H ASP A 91 -9.241 -1.202 -4.065 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.416 1.386 -4.322 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.481 -0.999 -4.403 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.471 -0.914 -2.653 1.00 0.00 H new ATOM 1401 N TYR A 92 -9.233 0.479 -1.408 1.00 0.00 N ATOM 1402 CA TYR A 92 -8.912 0.953 -0.067 1.00 0.00 C ATOM 1403 C TYR A 92 -7.862 2.059 -0.118 1.00 0.00 C ATOM 1404 O TYR A 92 -8.027 3.112 0.495 1.00 0.00 O ATOM 1405 CB TYR A 92 -8.411 -0.203 0.800 1.00 0.00 C ATOM 1406 CG TYR A 92 -8.106 0.197 2.226 1.00 0.00 C ATOM 1407 CD1 TYR A 92 -9.104 0.213 3.191 1.00 0.00 C ATOM 1408 CD2 TYR A 92 -6.819 0.558 2.606 1.00 0.00 C ATOM 1409 CE1 TYR A 92 -8.829 0.579 4.495 1.00 0.00 C ATOM 1410 CE2 TYR A 92 -6.536 0.923 3.909 1.00 0.00 C ATOM 1411 CZ TYR A 92 -7.544 0.933 4.849 1.00 0.00 C ATOM 1412 OH TYR A 92 -7.267 1.297 6.146 1.00 0.00 O ATOM 0 H TYR A 92 -8.828 -0.427 -1.643 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.822 1.360 0.375 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.162 -0.993 0.806 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.511 -0.621 0.349 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.111 -0.065 2.918 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.027 0.553 1.872 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.617 0.588 5.234 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -5.530 1.199 4.189 1.00 0.00 H new ATOM 0 HH TYR A 92 -6.490 0.794 6.468 1.00 0.00 H new ATOM 1422 N LEU A 93 -6.784 1.810 -0.854 1.00 0.00 N ATOM 1423 CA LEU A 93 -5.707 2.785 -0.984 1.00 0.00 C ATOM 1424 C LEU A 93 -6.219 4.083 -1.602 1.00 0.00 C ATOM 1425 O LEU A 93 -5.760 5.171 -1.256 1.00 0.00 O ATOM 1426 CB LEU A 93 -4.574 2.213 -1.837 1.00 0.00 C ATOM 1427 CG LEU A 93 -3.913 0.954 -1.276 1.00 0.00 C ATOM 1428 CD1 LEU A 93 -2.920 0.380 -2.276 1.00 0.00 C ATOM 1429 CD2 LEU A 93 -3.225 1.259 0.046 1.00 0.00 C ATOM 0 H LEU A 93 -6.633 0.943 -1.369 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.327 3.004 0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.965 1.988 -2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.810 2.981 -1.962 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.688 0.209 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.460 -0.516 -1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.440 0.124 -3.199 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.148 1.120 -2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.760 0.352 0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.461 2.021 -0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.961 1.623 0.764 1.00 0.00 H new ATOM 1441 N ASN A 94 -7.173 3.959 -2.519 1.00 0.00 N ATOM 1442 CA ASN A 94 -7.748 5.122 -3.185 1.00 0.00 C ATOM 1443 C ASN A 94 -8.531 5.982 -2.198 1.00 0.00 C ATOM 1444 O ASN A 94 -8.469 7.211 -2.244 1.00 0.00 O ATOM 1445 CB ASN A 94 -8.658 4.679 -4.333 1.00 0.00 C ATOM 1446 CG ASN A 94 -8.038 4.935 -5.694 1.00 0.00 C ATOM 1447 OD1 ASN A 94 -8.295 5.961 -6.322 1.00 0.00 O ATOM 1448 ND2 ASN A 94 -7.217 3.998 -6.155 1.00 0.00 N ATOM 0 H ASN A 94 -7.564 3.066 -2.818 1.00 0.00 H new ATOM 0 HA ASN A 94 -6.932 5.720 -3.589 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.877 3.616 -4.230 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -9.609 5.208 -4.264 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -6.771 4.114 -7.065 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -7.033 3.163 -5.599 1.00 0.00 H new ATOM 1455 N GLN A 95 -9.269 5.328 -1.307 1.00 0.00 N ATOM 1456 CA GLN A 95 -10.065 6.033 -0.309 1.00 0.00 C ATOM 1457 C GLN A 95 -9.172 6.839 0.628 1.00 0.00 C ATOM 1458 O GLN A 95 -9.571 7.889 1.131 1.00 0.00 O ATOM 1459 CB GLN A 95 -10.906 5.041 0.497 1.00 0.00 C ATOM 1460 CG GLN A 95 -12.233 5.612 0.970 1.00 0.00 C ATOM 1461 CD GLN A 95 -12.241 5.917 2.455 1.00 0.00 C ATOM 1462 OE1 GLN A 95 -11.197 6.184 3.051 1.00 0.00 O ATOM 1463 NE2 GLN A 95 -13.422 5.877 3.061 1.00 0.00 N ATOM 0 H GLN A 95 -9.332 4.311 -1.256 1.00 0.00 H new ATOM 0 HA GLN A 95 -10.729 6.722 -0.831 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.097 4.159 -0.114 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.333 4.711 1.363 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.450 6.524 0.414 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.030 4.904 0.744 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -14.262 5.651 2.528 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -13.490 6.072 4.060 1.00 0.00 H new ATOM 1472 N VAL A 96 -7.961 6.341 0.859 1.00 0.00 N ATOM 1473 CA VAL A 96 -7.011 7.015 1.735 1.00 0.00 C ATOM 1474 C VAL A 96 -6.667 8.403 1.208 1.00 0.00 C ATOM 1475 O VAL A 96 -6.600 8.620 -0.001 1.00 0.00 O ATOM 1476 CB VAL A 96 -5.713 6.201 1.888 1.00 0.00 C ATOM 1477 CG1 VAL A 96 -4.819 6.816 2.954 1.00 0.00 C ATOM 1478 CG2 VAL A 96 -6.028 4.750 2.219 1.00 0.00 C ATOM 0 H VAL A 96 -7.615 5.472 0.451 1.00 0.00 H new ATOM 0 HA VAL A 96 -7.490 7.107 2.710 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.177 6.225 0.939 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.907 6.227 3.048 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.564 7.837 2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.345 6.825 3.909 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -5.098 4.191 2.323 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.587 4.703 3.154 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.625 4.315 1.417 1.00 0.00 H new