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 31 SER OG : rot 180:sc= -0.632 USER MOD Set 1.2: A 84 MET CE :methyl -146:sc= -1.66 (180deg=-1.02) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.0522 K(o=-0.052,f=-1.8!) USER MOD Single : A 30 ASN : amide:sc= 0.504 K(o=0.5,f=-2.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 79:sc= 0.106 USER MOD Single : A 36 LYS NZ :NH3+ -112:sc= 0.684 (180deg=-1.38) USER MOD Single : A 38 HIS : no HD1:sc= -0.341 X(o=-0.34,f=-0.75) USER MOD Single : A 43 THR OG1 : rot -88:sc= 1.18 USER MOD Single : A 44 GLN : amide:sc= -0.0544 X(o=-0.054,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.304 X(o=-0.3,f=-0.012) USER MOD Single : A 54 SER OG : rot -15:sc= -0.602 USER MOD Single : A 56 SER OG : rot 180:sc= -0.0103 USER MOD Single : A 57 GLN : amide:sc= -0.252 K(o=-0.25,f=0.32) USER MOD Single : A 62 SER OG : rot 180:sc= 0 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 67 MET CE :methyl -156:sc= 0 (180deg=-0.37) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0364 X(o=-0.036,f=-0.46) USER MOD Single : A 78 SER OG : rot 88:sc= 0.0881 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.4!) 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 : amide:sc= -0.495 X(o=-0.49,f=-0.013) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 148 N ALA A 13 -7.921 4.074 9.863 1.00 0.00 N ATOM 149 CA ALA A 13 -6.494 4.332 10.017 1.00 0.00 C ATOM 150 C ALA A 13 -6.237 5.781 10.413 1.00 0.00 C ATOM 151 O ALA A 13 -7.051 6.664 10.140 1.00 0.00 O ATOM 152 CB ALA A 13 -5.757 3.996 8.730 1.00 0.00 C ATOM 0 HA ALA A 13 -6.118 3.693 10.816 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.693 4.193 8.858 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.905 2.943 8.490 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.145 4.611 7.918 1.00 0.00 H new ATOM 158 N ASN A 14 -5.101 6.020 11.061 1.00 0.00 N ATOM 159 CA ASN A 14 -4.737 7.363 11.496 1.00 0.00 C ATOM 160 C ASN A 14 -3.751 8.002 10.523 1.00 0.00 C ATOM 161 O ASN A 14 -3.905 9.161 10.139 1.00 0.00 O ATOM 162 CB ASN A 14 -4.131 7.319 12.900 1.00 0.00 C ATOM 163 CG ASN A 14 -5.174 7.505 13.985 1.00 0.00 C ATOM 164 OD1 ASN A 14 -5.117 8.460 14.760 1.00 0.00 O ATOM 165 ND2 ASN A 14 -6.133 6.588 14.047 1.00 0.00 N ATOM 0 H ASN A 14 -4.417 5.301 11.296 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.642 7.970 11.517 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.626 6.364 13.045 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.373 8.097 12.991 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.861 6.659 14.758 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.141 5.813 13.384 1.00 0.00 H new ATOM 172 N SER A 15 -2.736 7.238 10.130 1.00 0.00 N ATOM 173 CA SER A 15 -1.723 7.730 9.202 1.00 0.00 C ATOM 174 C SER A 15 -1.608 6.815 7.985 1.00 0.00 C ATOM 175 O SER A 15 -1.881 5.618 8.071 1.00 0.00 O ATOM 176 CB SER A 15 -0.368 7.839 9.904 1.00 0.00 C ATOM 177 OG SER A 15 -0.327 8.964 10.764 1.00 0.00 O ATOM 0 H SER A 15 -2.593 6.277 10.439 1.00 0.00 H new ATOM 0 HA SER A 15 -2.028 8.719 8.861 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.178 6.932 10.478 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.425 7.917 9.160 1.00 0.00 H new ATOM 0 HG SER A 15 0.549 9.010 11.201 1.00 0.00 H new ATOM 183 N PRO A 16 -1.200 7.371 6.832 1.00 0.00 N ATOM 184 CA PRO A 16 -1.048 6.599 5.594 1.00 0.00 C ATOM 185 C PRO A 16 -0.186 5.356 5.788 1.00 0.00 C ATOM 186 O PRO A 16 -0.343 4.364 5.077 1.00 0.00 O ATOM 187 CB PRO A 16 -0.363 7.582 4.642 1.00 0.00 C ATOM 188 CG PRO A 16 -0.745 8.929 5.150 1.00 0.00 C ATOM 189 CD PRO A 16 -0.853 8.792 6.643 1.00 0.00 C ATOM 0 HA PRO A 16 -2.004 6.227 5.227 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.719 7.449 4.647 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.697 7.437 3.615 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.003 9.675 4.879 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.691 9.255 4.718 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.084 9.046 7.139 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.619 9.451 7.053 1.00 0.00 H new ATOM 197 N GLN A 17 0.724 5.418 6.754 1.00 0.00 N ATOM 198 CA GLN A 17 1.612 4.298 7.041 1.00 0.00 C ATOM 199 C GLN A 17 0.814 3.058 7.434 1.00 0.00 C ATOM 200 O GLN A 17 1.184 1.935 7.092 1.00 0.00 O ATOM 201 CB GLN A 17 2.587 4.667 8.160 1.00 0.00 C ATOM 202 CG GLN A 17 3.772 5.492 7.687 1.00 0.00 C ATOM 203 CD GLN A 17 3.826 6.863 8.332 1.00 0.00 C ATOM 204 OE1 GLN A 17 3.488 7.870 7.708 1.00 0.00 O ATOM 205 NE2 GLN A 17 4.251 6.909 9.589 1.00 0.00 N ATOM 0 H GLN A 17 0.866 6.232 7.352 1.00 0.00 H new ATOM 0 HA GLN A 17 2.177 4.073 6.136 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.051 5.224 8.929 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.954 3.753 8.626 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.694 4.955 7.908 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.721 5.606 6.604 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.521 6.050 10.068 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.307 7.804 10.076 1.00 0.00 H new ATOM 214 N GLU A 18 -0.283 3.272 8.154 1.00 0.00 N ATOM 215 CA GLU A 18 -1.134 2.172 8.594 1.00 0.00 C ATOM 216 C GLU A 18 -1.876 1.552 7.414 1.00 0.00 C ATOM 217 O GLU A 18 -1.927 0.330 7.273 1.00 0.00 O ATOM 218 CB GLU A 18 -2.136 2.662 9.641 1.00 0.00 C ATOM 219 CG GLU A 18 -2.767 1.542 10.450 1.00 0.00 C ATOM 220 CD GLU A 18 -3.015 1.933 11.894 1.00 0.00 C ATOM 221 OE1 GLU A 18 -2.027 2.117 12.637 1.00 0.00 O ATOM 222 OE2 GLU A 18 -4.195 2.056 12.282 1.00 0.00 O ATOM 0 H GLU A 18 -0.603 4.196 8.445 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.497 1.409 9.040 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.632 3.350 10.320 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.924 3.227 9.142 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.711 1.253 9.989 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.117 0.667 10.421 1.00 0.00 H new ATOM 229 N ALA A 19 -2.450 2.403 6.570 1.00 0.00 N ATOM 230 CA ALA A 19 -3.189 1.939 5.403 1.00 0.00 C ATOM 231 C ALA A 19 -2.298 1.118 4.477 1.00 0.00 C ATOM 232 O ALA A 19 -2.725 0.103 3.927 1.00 0.00 O ATOM 233 CB ALA A 19 -3.786 3.121 4.653 1.00 0.00 C ATOM 0 H ALA A 19 -2.417 3.417 6.673 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.998 1.295 5.749 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.335 2.760 3.783 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.464 3.664 5.311 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.987 3.786 4.327 1.00 0.00 H new ATOM 239 N LEU A 20 -1.057 1.564 4.310 1.00 0.00 N ATOM 240 CA LEU A 20 -0.104 0.871 3.449 1.00 0.00 C ATOM 241 C LEU A 20 0.380 -0.419 4.104 1.00 0.00 C ATOM 242 O LEU A 20 0.518 -1.448 3.442 1.00 0.00 O ATOM 243 CB LEU A 20 1.087 1.778 3.137 1.00 0.00 C ATOM 244 CG LEU A 20 2.132 1.173 2.199 1.00 0.00 C ATOM 245 CD1 LEU A 20 1.537 0.932 0.820 1.00 0.00 C ATOM 246 CD2 LEU A 20 3.350 2.080 2.105 1.00 0.00 C ATOM 0 H LEU A 20 -0.687 2.402 4.759 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.610 0.617 2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.715 2.702 2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.574 2.048 4.074 1.00 0.00 H new ATOM 0 HG LEU A 20 2.448 0.213 2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.296 0.501 0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.696 0.244 0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.193 1.878 0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.084 1.635 1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.049 3.054 1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.790 2.202 3.095 1.00 0.00 H new ATOM 258 N LEU A 21 0.637 -0.356 5.406 1.00 0.00 N ATOM 259 CA LEU A 21 1.106 -1.520 6.150 1.00 0.00 C ATOM 260 C LEU A 21 0.021 -2.589 6.227 1.00 0.00 C ATOM 261 O LEU A 21 0.314 -3.784 6.239 1.00 0.00 O ATOM 262 CB LEU A 21 1.537 -1.110 7.560 1.00 0.00 C ATOM 263 CG LEU A 21 2.019 -2.258 8.448 1.00 0.00 C ATOM 264 CD1 LEU A 21 3.308 -2.852 7.900 1.00 0.00 C ATOM 265 CD2 LEU A 21 2.218 -1.776 9.878 1.00 0.00 C ATOM 0 H LEU A 21 0.529 0.488 5.968 1.00 0.00 H new ATOM 0 HA LEU A 21 1.964 -1.937 5.622 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.336 -0.373 7.480 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.698 -0.618 8.052 1.00 0.00 H new ATOM 0 HG LEU A 21 1.256 -3.037 8.450 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.636 -3.667 8.545 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.134 -3.233 6.894 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.079 -2.082 7.868 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.561 -2.605 10.497 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.962 -0.980 9.893 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.274 -1.398 10.269 1.00 0.00 H new ATOM 277 N TRP A 22 -1.232 -2.150 6.281 1.00 0.00 N ATOM 278 CA TRP A 22 -2.361 -3.070 6.358 1.00 0.00 C ATOM 279 C TRP A 22 -2.553 -3.806 5.035 1.00 0.00 C ATOM 280 O TRP A 22 -2.990 -4.957 5.011 1.00 0.00 O ATOM 281 CB TRP A 22 -3.639 -2.313 6.723 1.00 0.00 C ATOM 282 CG TRP A 22 -4.536 -3.076 7.650 1.00 0.00 C ATOM 283 CD1 TRP A 22 -4.514 -3.056 9.014 1.00 0.00 C ATOM 284 CD2 TRP A 22 -5.589 -3.973 7.277 1.00 0.00 C ATOM 285 NE1 TRP A 22 -5.487 -3.886 9.514 1.00 0.00 N ATOM 286 CE2 TRP A 22 -6.161 -4.460 8.469 1.00 0.00 C ATOM 287 CE3 TRP A 22 -6.103 -4.411 6.055 1.00 0.00 C ATOM 288 CZ2 TRP A 22 -7.222 -5.362 8.469 1.00 0.00 C ATOM 289 CZ3 TRP A 22 -7.156 -5.307 6.057 1.00 0.00 C ATOM 290 CH2 TRP A 22 -7.705 -5.774 7.258 1.00 0.00 C ATOM 0 H TRP A 22 -1.491 -1.164 6.273 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.147 -3.804 7.135 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.371 -1.364 7.187 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -4.187 -2.078 5.810 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.831 -2.472 9.613 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -5.677 -4.049 10.503 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -5.685 -4.056 5.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -7.648 -5.723 9.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.562 -5.652 5.118 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.527 -6.474 7.227 1.00 0.00 H new ATOM 301 N ALA A 23 -2.224 -3.135 3.937 1.00 0.00 N ATOM 302 CA ALA A 23 -2.359 -3.725 2.611 1.00 0.00 C ATOM 303 C ALA A 23 -1.352 -4.850 2.405 1.00 0.00 C ATOM 304 O ALA A 23 -1.621 -5.814 1.688 1.00 0.00 O ATOM 305 CB ALA A 23 -2.189 -2.658 1.540 1.00 0.00 C ATOM 0 H ALA A 23 -1.862 -2.182 3.939 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.359 -4.150 2.529 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.292 -3.112 0.554 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.952 -1.890 1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.201 -2.206 1.630 1.00 0.00 H new ATOM 311 N LEU A 24 -0.190 -4.721 3.037 1.00 0.00 N ATOM 312 CA LEU A 24 0.859 -5.728 2.923 1.00 0.00 C ATOM 313 C LEU A 24 0.636 -6.862 3.919 1.00 0.00 C ATOM 314 O LEU A 24 0.890 -8.028 3.614 1.00 0.00 O ATOM 315 CB LEU A 24 2.232 -5.093 3.153 1.00 0.00 C ATOM 316 CG LEU A 24 2.569 -3.925 2.226 1.00 0.00 C ATOM 317 CD1 LEU A 24 3.714 -3.103 2.797 1.00 0.00 C ATOM 318 CD2 LEU A 24 2.919 -4.433 0.835 1.00 0.00 C ATOM 0 H LEU A 24 0.049 -3.929 3.634 1.00 0.00 H new ATOM 0 HA LEU A 24 0.822 -6.142 1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.286 -4.745 4.185 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.995 -5.862 3.035 1.00 0.00 H new ATOM 0 HG LEU A 24 1.691 -3.283 2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.940 -2.276 2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.428 -2.709 3.772 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.596 -3.734 2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.156 -3.588 0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.782 -5.097 0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.070 -4.979 0.423 1.00 0.00 H new ATOM 330 N ASN A 25 0.162 -6.512 5.110 1.00 0.00 N ATOM 331 CA ASN A 25 -0.095 -7.501 6.151 1.00 0.00 C ATOM 332 C ASN A 25 -1.248 -8.418 5.756 1.00 0.00 C ATOM 333 O ASN A 25 -1.280 -9.590 6.132 1.00 0.00 O ATOM 334 CB ASN A 25 -0.409 -6.807 7.476 1.00 0.00 C ATOM 335 CG ASN A 25 0.842 -6.375 8.214 1.00 0.00 C ATOM 336 OD1 ASN A 25 1.960 -6.669 7.788 1.00 0.00 O ATOM 337 ND2 ASN A 25 0.663 -5.674 9.328 1.00 0.00 N ATOM 0 H ASN A 25 -0.052 -5.552 5.379 1.00 0.00 H new ATOM 0 HA ASN A 25 0.802 -8.108 6.272 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.035 -5.935 7.287 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.986 -7.482 8.109 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.469 -5.357 9.866 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.281 -5.452 9.645 1.00 0.00 H new ATOM 344 N ASP A 26 -2.195 -7.876 4.997 1.00 0.00 N ATOM 345 CA ASP A 26 -3.351 -8.645 4.552 1.00 0.00 C ATOM 346 C ASP A 26 -2.950 -9.673 3.497 1.00 0.00 C ATOM 347 O ASP A 26 -3.591 -10.715 3.357 1.00 0.00 O ATOM 348 CB ASP A 26 -4.424 -7.712 3.987 1.00 0.00 C ATOM 349 CG ASP A 26 -5.703 -8.447 3.638 1.00 0.00 C ATOM 350 OD1 ASP A 26 -6.478 -8.765 4.565 1.00 0.00 O ATOM 351 OD2 ASP A 26 -5.930 -8.707 2.437 1.00 0.00 O ATOM 0 H ASP A 26 -2.184 -6.907 4.677 1.00 0.00 H new ATOM 0 HA ASP A 26 -3.756 -9.175 5.414 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.644 -6.932 4.716 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.038 -7.216 3.096 1.00 0.00 H new ATOM 356 N LEU A 27 -1.886 -9.374 2.757 1.00 0.00 N ATOM 357 CA LEU A 27 -1.401 -10.273 1.715 1.00 0.00 C ATOM 358 C LEU A 27 -1.090 -11.653 2.285 1.00 0.00 C ATOM 359 O LEU A 27 -0.740 -11.788 3.457 1.00 0.00 O ATOM 360 CB LEU A 27 -0.152 -9.690 1.051 1.00 0.00 C ATOM 361 CG LEU A 27 -0.413 -8.540 0.077 1.00 0.00 C ATOM 362 CD1 LEU A 27 0.830 -7.676 -0.073 1.00 0.00 C ATOM 363 CD2 LEU A 27 -0.856 -9.079 -1.275 1.00 0.00 C ATOM 0 H LEU A 27 -1.344 -8.516 2.860 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.187 -10.379 0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.525 -9.339 1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.363 -10.488 0.517 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.214 -7.921 0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.626 -6.863 -0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.105 -7.262 0.897 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.651 -8.283 -0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.038 -8.248 -1.956 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.075 -9.720 -1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.773 -9.656 -1.154 1.00 0.00 H new ATOM 375 N GLU A 28 -1.221 -12.677 1.446 1.00 0.00 N ATOM 376 CA GLU A 28 -0.955 -14.048 1.865 1.00 0.00 C ATOM 377 C GLU A 28 0.494 -14.431 1.582 1.00 0.00 C ATOM 378 O GLU A 28 1.280 -13.615 1.101 1.00 0.00 O ATOM 379 CB GLU A 28 -1.899 -15.015 1.150 1.00 0.00 C ATOM 380 CG GLU A 28 -3.354 -14.862 1.562 1.00 0.00 C ATOM 381 CD GLU A 28 -4.162 -16.124 1.333 1.00 0.00 C ATOM 382 OE1 GLU A 28 -4.256 -16.565 0.168 1.00 0.00 O ATOM 383 OE2 GLU A 28 -4.700 -16.672 2.317 1.00 0.00 O ATOM 0 H GLU A 28 -1.510 -12.582 0.472 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.126 -14.113 2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.817 -14.861 0.074 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.579 -16.037 1.351 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.402 -14.591 2.617 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.802 -14.042 1.001 1.00 0.00 H new ATOM 390 N GLU A 29 0.841 -15.678 1.884 1.00 0.00 N ATOM 391 CA GLU A 29 2.196 -16.169 1.663 1.00 0.00 C ATOM 392 C GLU A 29 2.450 -16.413 0.178 1.00 0.00 C ATOM 393 O GLU A 29 3.566 -16.233 -0.309 1.00 0.00 O ATOM 394 CB GLU A 29 2.428 -17.459 2.455 1.00 0.00 C ATOM 395 CG GLU A 29 3.547 -17.351 3.478 1.00 0.00 C ATOM 396 CD GLU A 29 4.924 -17.388 2.842 1.00 0.00 C ATOM 397 OE1 GLU A 29 5.358 -18.485 2.431 1.00 0.00 O ATOM 398 OE2 GLU A 29 5.566 -16.321 2.756 1.00 0.00 O ATOM 0 H GLU A 29 0.203 -16.367 2.282 1.00 0.00 H new ATOM 0 HA GLU A 29 2.895 -15.408 2.011 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.505 -17.733 2.966 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.659 -18.266 1.760 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.434 -16.423 4.038 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.460 -18.168 4.194 1.00 0.00 H new ATOM 405 N ASN A 30 1.406 -16.824 -0.536 1.00 0.00 N ATOM 406 CA ASN A 30 1.516 -17.093 -1.965 1.00 0.00 C ATOM 407 C ASN A 30 1.386 -15.806 -2.772 1.00 0.00 C ATOM 408 O ASN A 30 1.978 -15.670 -3.844 1.00 0.00 O ATOM 409 CB ASN A 30 0.444 -18.093 -2.401 1.00 0.00 C ATOM 410 CG ASN A 30 -0.946 -17.677 -1.963 1.00 0.00 C ATOM 411 OD1 ASN A 30 -1.263 -17.686 -0.773 1.00 0.00 O ATOM 412 ND2 ASN A 30 -1.786 -17.311 -2.924 1.00 0.00 N ATOM 0 H ASN A 30 0.475 -16.978 -0.148 1.00 0.00 H new ATOM 0 HA ASN A 30 2.500 -17.521 -2.154 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.465 -18.194 -3.486 1.00 0.00 H new ATOM 0 HB3 ASN A 30 0.675 -19.074 -1.985 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.736 -17.022 -2.689 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.482 -17.318 -3.898 1.00 0.00 H new ATOM 419 N SER A 31 0.609 -14.861 -2.252 1.00 0.00 N ATOM 420 CA SER A 31 0.401 -13.584 -2.925 1.00 0.00 C ATOM 421 C SER A 31 1.625 -12.686 -2.775 1.00 0.00 C ATOM 422 O SER A 31 2.071 -12.063 -3.737 1.00 0.00 O ATOM 423 CB SER A 31 -0.834 -12.880 -2.359 1.00 0.00 C ATOM 424 OG SER A 31 -1.105 -11.680 -3.063 1.00 0.00 O ATOM 0 H SER A 31 0.113 -14.956 -1.366 1.00 0.00 H new ATOM 0 HA SER A 31 0.244 -13.781 -3.985 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.696 -13.544 -2.422 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.678 -12.659 -1.303 1.00 0.00 H new ATOM 0 HG SER A 31 -1.900 -11.250 -2.683 1.00 0.00 H new ATOM 430 N PHE A 32 2.163 -12.627 -1.562 1.00 0.00 N ATOM 431 CA PHE A 32 3.336 -11.806 -1.285 1.00 0.00 C ATOM 432 C PHE A 32 4.557 -12.335 -2.030 1.00 0.00 C ATOM 433 O PHE A 32 5.418 -11.566 -2.455 1.00 0.00 O ATOM 434 CB PHE A 32 3.618 -11.771 0.218 1.00 0.00 C ATOM 435 CG PHE A 32 4.491 -10.622 0.637 1.00 0.00 C ATOM 436 CD1 PHE A 32 4.035 -9.317 0.541 1.00 0.00 C ATOM 437 CD2 PHE A 32 5.768 -10.848 1.127 1.00 0.00 C ATOM 438 CE1 PHE A 32 4.836 -8.259 0.927 1.00 0.00 C ATOM 439 CE2 PHE A 32 6.573 -9.794 1.513 1.00 0.00 C ATOM 440 CZ PHE A 32 6.106 -8.498 1.414 1.00 0.00 C ATOM 0 H PHE A 32 1.806 -13.138 -0.755 1.00 0.00 H new ATOM 0 HA PHE A 32 3.130 -10.794 -1.632 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.672 -11.713 0.756 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.095 -12.706 0.512 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.043 -9.125 0.160 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.138 -11.860 1.208 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.469 -7.246 0.848 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.567 -9.983 1.892 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.733 -7.673 1.717 1.00 0.00 H new ATOM 450 N LYS A 33 4.625 -13.654 -2.185 1.00 0.00 N ATOM 451 CA LYS A 33 5.740 -14.287 -2.878 1.00 0.00 C ATOM 452 C LYS A 33 5.858 -13.768 -4.308 1.00 0.00 C ATOM 453 O LYS A 33 6.951 -13.457 -4.779 1.00 0.00 O ATOM 454 CB LYS A 33 5.566 -15.806 -2.887 1.00 0.00 C ATOM 455 CG LYS A 33 6.229 -16.502 -1.709 1.00 0.00 C ATOM 456 CD LYS A 33 6.043 -18.008 -1.775 1.00 0.00 C ATOM 457 CE LYS A 33 7.112 -18.738 -0.980 1.00 0.00 C ATOM 458 NZ LYS A 33 6.954 -20.217 -1.061 1.00 0.00 N ATOM 0 H LYS A 33 3.920 -14.305 -1.839 1.00 0.00 H new ATOM 0 HA LYS A 33 6.656 -14.037 -2.343 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.502 -16.041 -2.885 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.979 -16.205 -3.813 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.293 -16.266 -1.698 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.808 -16.123 -0.778 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.058 -18.271 -1.389 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.075 -18.334 -2.815 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.097 -18.457 -1.354 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.066 -18.425 0.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.703 -20.677 -0.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.025 -20.488 -0.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.024 -20.520 -2.053 1.00 0.00 H new ATOM 472 N THR A 34 4.723 -13.678 -4.994 1.00 0.00 N ATOM 473 CA THR A 34 4.698 -13.197 -6.371 1.00 0.00 C ATOM 474 C THR A 34 4.799 -11.676 -6.419 1.00 0.00 C ATOM 475 O THR A 34 5.429 -11.113 -7.313 1.00 0.00 O ATOM 476 CB THR A 34 3.419 -13.658 -7.071 1.00 0.00 C ATOM 477 OG1 THR A 34 3.115 -14.999 -6.730 1.00 0.00 O ATOM 478 CG2 THR A 34 3.499 -13.574 -8.580 1.00 0.00 C ATOM 0 H THR A 34 3.809 -13.932 -4.619 1.00 0.00 H new ATOM 0 HA THR A 34 5.559 -13.616 -6.891 1.00 0.00 H new ATOM 0 HB THR A 34 2.640 -12.978 -6.726 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.704 -15.025 -5.841 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.559 -13.916 -9.014 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.682 -12.542 -8.878 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.314 -14.204 -8.937 1.00 0.00 H new ATOM 486 N LEU A 35 4.171 -11.016 -5.449 1.00 0.00 N ATOM 487 CA LEU A 35 4.189 -9.560 -5.381 1.00 0.00 C ATOM 488 C LEU A 35 5.595 -9.045 -5.087 1.00 0.00 C ATOM 489 O LEU A 35 5.988 -7.979 -5.560 1.00 0.00 O ATOM 490 CB LEU A 35 3.217 -9.067 -4.308 1.00 0.00 C ATOM 491 CG LEU A 35 2.898 -7.571 -4.361 1.00 0.00 C ATOM 492 CD1 LEU A 35 1.775 -7.299 -5.349 1.00 0.00 C ATOM 493 CD2 LEU A 35 2.531 -7.057 -2.977 1.00 0.00 C ATOM 0 H LEU A 35 3.644 -11.467 -4.701 1.00 0.00 H new ATOM 0 HA LEU A 35 3.876 -9.172 -6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.285 -9.625 -4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.633 -9.300 -3.328 1.00 0.00 H new ATOM 0 HG LEU A 35 3.787 -7.040 -4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.562 -6.230 -5.373 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.076 -7.631 -6.342 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.880 -7.840 -5.041 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.307 -5.992 -3.032 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.656 -7.593 -2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.367 -7.217 -2.296 1.00 0.00 H new ATOM 505 N LYS A 36 6.348 -9.809 -4.301 1.00 0.00 N ATOM 506 CA LYS A 36 7.709 -9.431 -3.943 1.00 0.00 C ATOM 507 C LYS A 36 8.611 -9.410 -5.173 1.00 0.00 C ATOM 508 O LYS A 36 9.541 -8.608 -5.261 1.00 0.00 O ATOM 509 CB LYS A 36 8.272 -10.398 -2.901 1.00 0.00 C ATOM 510 CG LYS A 36 9.384 -9.804 -2.052 1.00 0.00 C ATOM 511 CD LYS A 36 9.905 -10.804 -1.033 1.00 0.00 C ATOM 512 CE LYS A 36 10.011 -10.187 0.353 1.00 0.00 C ATOM 513 NZ LYS A 36 11.083 -9.156 0.421 1.00 0.00 N ATOM 0 H LYS A 36 6.037 -10.694 -3.900 1.00 0.00 H new ATOM 0 HA LYS A 36 7.680 -8.427 -3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.463 -10.725 -2.247 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.650 -11.286 -3.409 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.202 -9.481 -2.696 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.015 -8.917 -1.537 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.241 -11.668 -0.998 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.884 -11.167 -1.346 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.056 -9.736 0.624 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.213 -10.970 1.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.854 -9.497 1.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.451 -8.974 -0.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.694 -8.276 0.816 1.00 0.00 H new ATOM 527 N PHE A 37 8.330 -10.298 -6.121 1.00 0.00 N ATOM 528 CA PHE A 37 9.116 -10.384 -7.347 1.00 0.00 C ATOM 529 C PHE A 37 8.804 -9.214 -8.276 1.00 0.00 C ATOM 530 O PHE A 37 9.704 -8.637 -8.886 1.00 0.00 O ATOM 531 CB PHE A 37 8.840 -11.708 -8.062 1.00 0.00 C ATOM 532 CG PHE A 37 10.063 -12.319 -8.686 1.00 0.00 C ATOM 533 CD1 PHE A 37 10.672 -11.721 -9.776 1.00 0.00 C ATOM 534 CD2 PHE A 37 10.601 -13.492 -8.181 1.00 0.00 C ATOM 535 CE1 PHE A 37 11.797 -12.281 -10.353 1.00 0.00 C ATOM 536 CE2 PHE A 37 11.724 -14.056 -8.753 1.00 0.00 C ATOM 537 CZ PHE A 37 12.323 -13.451 -9.841 1.00 0.00 C ATOM 0 H PHE A 37 7.564 -10.969 -6.064 1.00 0.00 H new ATOM 0 HA PHE A 37 10.171 -10.338 -7.078 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.414 -12.414 -7.350 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.090 -11.544 -8.836 1.00 0.00 H new ATOM 0 HD1 PHE A 37 10.264 -10.807 -10.180 1.00 0.00 H new ATOM 0 HD2 PHE A 37 10.137 -13.970 -7.331 1.00 0.00 H new ATOM 0 HE1 PHE A 37 12.264 -11.804 -11.202 1.00 0.00 H new ATOM 0 HE2 PHE A 37 12.134 -14.970 -8.350 1.00 0.00 H new ATOM 0 HZ PHE A 37 13.201 -13.892 -10.290 1.00 0.00 H new ATOM 547 N HIS A 38 7.524 -8.873 -8.379 1.00 0.00 N ATOM 548 CA HIS A 38 7.092 -7.773 -9.235 1.00 0.00 C ATOM 549 C HIS A 38 7.603 -6.433 -8.707 1.00 0.00 C ATOM 550 O HIS A 38 7.712 -5.463 -9.457 1.00 0.00 O ATOM 551 CB HIS A 38 5.566 -7.748 -9.336 1.00 0.00 C ATOM 552 CG HIS A 38 5.038 -8.401 -10.576 1.00 0.00 C ATOM 553 ND1 HIS A 38 5.690 -8.385 -11.789 1.00 0.00 N ATOM 554 CD2 HIS A 38 3.892 -9.102 -10.775 1.00 0.00 C ATOM 555 CE1 HIS A 38 4.937 -9.061 -12.668 1.00 0.00 C ATOM 556 NE2 HIS A 38 3.837 -9.516 -12.103 1.00 0.00 N ATOM 0 H HIS A 38 6.767 -9.342 -7.881 1.00 0.00 H new ATOM 0 HA HIS A 38 7.513 -7.933 -10.228 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.144 -8.248 -8.464 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.225 -6.713 -9.307 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.143 -9.306 -10.024 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.198 -9.213 -13.705 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.097 -10.060 -12.547 1.00 0.00 H new ATOM 564 N LEU A 39 7.913 -6.386 -7.414 1.00 0.00 N ATOM 565 CA LEU A 39 8.410 -5.164 -6.790 1.00 0.00 C ATOM 566 C LEU A 39 9.626 -4.620 -7.534 1.00 0.00 C ATOM 567 O LEU A 39 9.871 -3.414 -7.546 1.00 0.00 O ATOM 568 CB LEU A 39 8.770 -5.425 -5.326 1.00 0.00 C ATOM 569 CG LEU A 39 7.586 -5.426 -4.358 1.00 0.00 C ATOM 570 CD1 LEU A 39 7.998 -5.998 -3.011 1.00 0.00 C ATOM 571 CD2 LEU A 39 7.031 -4.019 -4.194 1.00 0.00 C ATOM 0 H LEU A 39 7.829 -7.180 -6.779 1.00 0.00 H new ATOM 0 HA LEU A 39 7.617 -4.417 -6.838 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.276 -6.388 -5.258 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.483 -4.667 -5.003 1.00 0.00 H new ATOM 0 HG LEU A 39 6.802 -6.059 -4.774 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.143 -5.991 -2.336 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.348 -7.022 -3.142 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.799 -5.392 -2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.189 -4.038 -3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.809 -3.365 -3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.697 -3.645 -5.162 1.00 0.00 H new ATOM 583 N ARG A 40 10.384 -5.518 -8.156 1.00 0.00 N ATOM 584 CA ARG A 40 11.574 -5.127 -8.904 1.00 0.00 C ATOM 585 C ARG A 40 11.211 -4.192 -10.054 1.00 0.00 C ATOM 586 O ARG A 40 12.008 -3.340 -10.449 1.00 0.00 O ATOM 587 CB ARG A 40 12.291 -6.365 -9.445 1.00 0.00 C ATOM 588 CG ARG A 40 13.635 -6.057 -10.086 1.00 0.00 C ATOM 589 CD ARG A 40 13.920 -6.987 -11.254 1.00 0.00 C ATOM 590 NE ARG A 40 15.021 -6.501 -12.084 1.00 0.00 N ATOM 591 CZ ARG A 40 15.639 -7.241 -13.002 1.00 0.00 C ATOM 592 NH1 ARG A 40 15.268 -8.499 -13.211 1.00 0.00 N ATOM 593 NH2 ARG A 40 16.630 -6.721 -13.714 1.00 0.00 N ATOM 0 H ARG A 40 10.196 -6.520 -8.157 1.00 0.00 H new ATOM 0 HA ARG A 40 12.242 -4.596 -8.225 1.00 0.00 H new ATOM 0 HB2 ARG A 40 12.440 -7.074 -8.630 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.651 -6.854 -10.179 1.00 0.00 H new ATOM 0 HG2 ARG A 40 13.646 -5.023 -10.431 1.00 0.00 H new ATOM 0 HG3 ARG A 40 14.425 -6.153 -9.341 1.00 0.00 H new ATOM 0 HD2 ARG A 40 14.162 -7.980 -10.876 1.00 0.00 H new ATOM 0 HD3 ARG A 40 13.023 -7.088 -11.865 1.00 0.00 H new ATOM 0 HE ARG A 40 15.334 -5.539 -11.952 1.00 0.00 H new ATOM 0 HH11 ARG A 40 14.506 -8.903 -12.667 1.00 0.00 H new ATOM 0 HH12 ARG A 40 15.745 -9.061 -13.916 1.00 0.00 H new ATOM 0 HH21 ARG A 40 16.918 -5.755 -13.558 1.00 0.00 H new ATOM 0 HH22 ARG A 40 17.104 -7.287 -14.418 1.00 0.00 H new ATOM 607 N ASP A 41 10.007 -4.359 -10.590 1.00 0.00 N ATOM 608 CA ASP A 41 9.541 -3.531 -11.696 1.00 0.00 C ATOM 609 C ASP A 41 9.095 -2.158 -11.201 1.00 0.00 C ATOM 610 O ASP A 41 9.604 -1.131 -11.650 1.00 0.00 O ATOM 611 CB ASP A 41 8.386 -4.221 -12.426 1.00 0.00 C ATOM 612 CG ASP A 41 8.829 -5.477 -13.151 1.00 0.00 C ATOM 613 OD1 ASP A 41 9.739 -5.381 -14.002 1.00 0.00 O ATOM 614 OD2 ASP A 41 8.267 -6.555 -12.868 1.00 0.00 O ATOM 0 H ASP A 41 9.336 -5.060 -10.276 1.00 0.00 H new ATOM 0 HA ASP A 41 10.372 -3.395 -12.388 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.606 -4.475 -11.708 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.946 -3.527 -13.142 1.00 0.00 H new ATOM 619 N VAL A 42 8.141 -2.148 -10.275 1.00 0.00 N ATOM 620 CA VAL A 42 7.626 -0.901 -9.721 1.00 0.00 C ATOM 621 C VAL A 42 8.744 -0.070 -9.101 1.00 0.00 C ATOM 622 O VAL A 42 8.787 1.149 -9.263 1.00 0.00 O ATOM 623 CB VAL A 42 6.546 -1.165 -8.655 1.00 0.00 C ATOM 624 CG1 VAL A 42 5.317 -1.802 -9.284 1.00 0.00 C ATOM 625 CG2 VAL A 42 7.099 -2.040 -7.540 1.00 0.00 C ATOM 0 H VAL A 42 7.709 -2.989 -9.893 1.00 0.00 H new ATOM 0 HA VAL A 42 7.183 -0.347 -10.548 1.00 0.00 H new ATOM 0 HB VAL A 42 6.248 -0.210 -8.222 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.566 -1.981 -8.515 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.908 -1.134 -10.042 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.595 -2.749 -9.747 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.322 -2.216 -6.796 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.427 -2.993 -7.954 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.945 -1.539 -7.070 1.00 0.00 H new ATOM 635 N THR A 43 9.648 -0.738 -8.392 1.00 0.00 N ATOM 636 CA THR A 43 10.767 -0.058 -7.749 1.00 0.00 C ATOM 637 C THR A 43 12.028 -0.162 -8.600 1.00 0.00 C ATOM 638 O THR A 43 12.486 -1.259 -8.918 1.00 0.00 O ATOM 639 CB THR A 43 11.023 -0.653 -6.363 1.00 0.00 C ATOM 640 OG1 THR A 43 11.573 -1.954 -6.469 1.00 0.00 O ATOM 641 CG2 THR A 43 9.773 -0.751 -5.513 1.00 0.00 C ATOM 0 H THR A 43 9.628 -1.748 -8.248 1.00 0.00 H new ATOM 0 HA THR A 43 10.508 0.995 -7.643 1.00 0.00 H new ATOM 0 HB THR A 43 11.719 0.032 -5.879 1.00 0.00 H new ATOM 0 HG1 THR A 43 10.849 -2.612 -6.518 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.025 -1.181 -4.544 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.351 0.244 -5.370 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.042 -1.387 -6.013 1.00 0.00 H new ATOM 649 N GLN A 44 12.583 0.989 -8.964 1.00 0.00 N ATOM 650 CA GLN A 44 13.792 1.030 -9.780 1.00 0.00 C ATOM 651 C GLN A 44 15.028 1.244 -8.911 1.00 0.00 C ATOM 652 O GLN A 44 16.016 1.829 -9.354 1.00 0.00 O ATOM 653 CB GLN A 44 13.689 2.143 -10.823 1.00 0.00 C ATOM 654 CG GLN A 44 14.469 1.859 -12.096 1.00 0.00 C ATOM 655 CD GLN A 44 13.587 1.357 -13.221 1.00 0.00 C ATOM 656 OE1 GLN A 44 13.378 2.049 -14.219 1.00 0.00 O ATOM 657 NE2 GLN A 44 13.061 0.147 -13.068 1.00 0.00 N ATOM 0 H GLN A 44 12.216 1.905 -8.707 1.00 0.00 H new ATOM 0 HA GLN A 44 13.890 0.071 -10.289 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.640 2.296 -11.076 1.00 0.00 H new ATOM 0 HB3 GLN A 44 14.050 3.074 -10.386 1.00 0.00 H new ATOM 0 HG2 GLN A 44 14.978 2.768 -12.416 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.241 1.119 -11.887 1.00 0.00 H new ATOM 0 HE21 GLN A 44 13.260 -0.393 -12.226 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.458 -0.242 -13.793 1.00 0.00 H new ATOM 666 N PHE A 45 14.966 0.765 -7.673 1.00 0.00 N ATOM 667 CA PHE A 45 16.081 0.904 -6.742 1.00 0.00 C ATOM 668 C PHE A 45 17.053 -0.264 -6.879 1.00 0.00 C ATOM 669 O PHE A 45 16.784 -1.227 -7.598 1.00 0.00 O ATOM 670 CB PHE A 45 15.565 0.988 -5.304 1.00 0.00 C ATOM 671 CG PHE A 45 16.496 1.711 -4.373 1.00 0.00 C ATOM 672 CD1 PHE A 45 16.802 3.047 -4.578 1.00 0.00 C ATOM 673 CD2 PHE A 45 17.065 1.054 -3.294 1.00 0.00 C ATOM 674 CE1 PHE A 45 17.660 3.713 -3.724 1.00 0.00 C ATOM 675 CE2 PHE A 45 17.922 1.716 -2.436 1.00 0.00 C ATOM 676 CZ PHE A 45 18.220 3.048 -2.652 1.00 0.00 C ATOM 0 H PHE A 45 14.156 0.277 -7.291 1.00 0.00 H new ATOM 0 HA PHE A 45 16.611 1.825 -6.984 1.00 0.00 H new ATOM 0 HB2 PHE A 45 14.599 1.492 -5.302 1.00 0.00 H new ATOM 0 HB3 PHE A 45 15.399 -0.021 -4.927 1.00 0.00 H new ATOM 0 HD1 PHE A 45 16.365 3.573 -5.414 1.00 0.00 H new ATOM 0 HD2 PHE A 45 16.836 0.013 -3.122 1.00 0.00 H new ATOM 0 HE1 PHE A 45 17.892 4.754 -3.895 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.358 1.193 -1.598 1.00 0.00 H new ATOM 0 HZ PHE A 45 18.890 3.568 -1.983 1.00 0.00 H new ATOM 686 N HIS A 46 18.183 -0.171 -6.184 1.00 0.00 N ATOM 687 CA HIS A 46 19.195 -1.220 -6.228 1.00 0.00 C ATOM 688 C HIS A 46 18.707 -2.477 -5.511 1.00 0.00 C ATOM 689 O HIS A 46 19.243 -2.858 -4.469 1.00 0.00 O ATOM 690 CB HIS A 46 20.497 -0.728 -5.593 1.00 0.00 C ATOM 691 CG HIS A 46 21.110 0.435 -6.307 1.00 0.00 C ATOM 692 ND1 HIS A 46 22.358 0.408 -6.890 1.00 0.00 N ATOM 693 CD2 HIS A 46 20.622 1.683 -6.528 1.00 0.00 C ATOM 694 CE1 HIS A 46 22.585 1.612 -7.433 1.00 0.00 C ATOM 695 NE2 HIS A 46 21.561 2.421 -7.242 1.00 0.00 N ATOM 0 H HIS A 46 18.420 0.619 -5.584 1.00 0.00 H new ATOM 0 HA HIS A 46 19.381 -1.469 -7.273 1.00 0.00 H new ATOM 0 HB2 HIS A 46 20.303 -0.447 -4.558 1.00 0.00 H new ATOM 0 HB3 HIS A 46 21.214 -1.549 -5.571 1.00 0.00 H new ATOM 0 HD2 HIS A 46 19.658 2.045 -6.201 1.00 0.00 H new ATOM 0 HE1 HIS A 46 23.488 1.884 -7.958 1.00 0.00 H new ATOM 0 HE2 HIS A 46 21.475 3.388 -7.554 1.00 0.00 H new ATOM 703 N LEU A 47 17.689 -3.116 -6.075 1.00 0.00 N ATOM 704 CA LEU A 47 17.130 -4.330 -5.490 1.00 0.00 C ATOM 705 C LEU A 47 17.061 -5.450 -6.522 1.00 0.00 C ATOM 706 O LEU A 47 16.207 -5.441 -7.408 1.00 0.00 O ATOM 707 CB LEU A 47 15.735 -4.053 -4.927 1.00 0.00 C ATOM 708 CG LEU A 47 15.601 -2.751 -4.136 1.00 0.00 C ATOM 709 CD1 LEU A 47 14.147 -2.314 -4.070 1.00 0.00 C ATOM 710 CD2 LEU A 47 16.174 -2.918 -2.737 1.00 0.00 C ATOM 0 H LEU A 47 17.234 -2.814 -6.936 1.00 0.00 H new ATOM 0 HA LEU A 47 17.786 -4.648 -4.679 1.00 0.00 H new ATOM 0 HB2 LEU A 47 15.024 -4.033 -5.753 1.00 0.00 H new ATOM 0 HB3 LEU A 47 15.449 -4.883 -4.281 1.00 0.00 H new ATOM 0 HG LEU A 47 16.168 -1.975 -4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.071 -1.386 -3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.769 -2.154 -5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 47 13.556 -3.088 -3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 47 16.071 -1.982 -2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 47 15.634 -3.707 -2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 47 17.229 -3.184 -2.805 1.00 0.00 H new ATOM 722 N ALA A 48 17.968 -6.415 -6.401 1.00 0.00 N ATOM 723 CA ALA A 48 18.010 -7.543 -7.323 1.00 0.00 C ATOM 724 C ALA A 48 18.130 -8.863 -6.568 1.00 0.00 C ATOM 725 O ALA A 48 17.208 -9.679 -6.573 1.00 0.00 O ATOM 726 CB ALA A 48 19.166 -7.384 -8.298 1.00 0.00 C ATOM 0 H ALA A 48 18.683 -6.438 -5.674 1.00 0.00 H new ATOM 0 HA ALA A 48 17.076 -7.558 -7.884 1.00 0.00 H new ATOM 0 HB1 ALA A 48 19.186 -8.233 -8.981 1.00 0.00 H new ATOM 0 HB2 ALA A 48 19.038 -6.464 -8.868 1.00 0.00 H new ATOM 0 HB3 ALA A 48 20.105 -7.341 -7.746 1.00 0.00 H new ATOM 732 N ARG A 49 19.272 -9.066 -5.920 1.00 0.00 N ATOM 733 CA ARG A 49 19.515 -10.287 -5.161 1.00 0.00 C ATOM 734 C ARG A 49 20.127 -9.969 -3.800 1.00 0.00 C ATOM 735 O ARG A 49 21.261 -9.496 -3.714 1.00 0.00 O ATOM 736 CB ARG A 49 20.438 -11.224 -5.941 1.00 0.00 C ATOM 737 CG ARG A 49 19.720 -12.032 -7.012 1.00 0.00 C ATOM 738 CD ARG A 49 20.187 -13.478 -7.027 1.00 0.00 C ATOM 739 NE ARG A 49 19.682 -14.229 -5.880 1.00 0.00 N ATOM 740 CZ ARG A 49 19.668 -15.558 -5.811 1.00 0.00 C ATOM 741 NH1 ARG A 49 20.131 -16.287 -6.820 1.00 0.00 N ATOM 742 NH2 ARG A 49 19.191 -16.160 -4.731 1.00 0.00 N ATOM 0 H ARG A 49 20.044 -8.400 -5.905 1.00 0.00 H new ATOM 0 HA ARG A 49 18.557 -10.782 -5.003 1.00 0.00 H new ATOM 0 HB2 ARG A 49 21.228 -10.636 -6.409 1.00 0.00 H new ATOM 0 HB3 ARG A 49 20.921 -11.909 -5.244 1.00 0.00 H new ATOM 0 HG2 ARG A 49 18.645 -11.998 -6.835 1.00 0.00 H new ATOM 0 HG3 ARG A 49 19.897 -11.581 -7.989 1.00 0.00 H new ATOM 0 HD2 ARG A 49 19.855 -13.957 -7.948 1.00 0.00 H new ATOM 0 HD3 ARG A 49 21.277 -13.507 -7.028 1.00 0.00 H new ATOM 0 HE ARG A 49 19.319 -13.704 -5.085 1.00 0.00 H new ATOM 0 HH11 ARG A 49 20.500 -15.829 -7.653 1.00 0.00 H new ATOM 0 HH12 ARG A 49 20.118 -17.305 -6.762 1.00 0.00 H new ATOM 0 HH21 ARG A 49 18.835 -15.605 -3.953 1.00 0.00 H new ATOM 0 HH22 ARG A 49 19.180 -17.179 -4.678 1.00 0.00 H new ATOM 756 N GLY A 50 19.370 -10.231 -2.739 1.00 0.00 N ATOM 757 CA GLY A 50 19.855 -9.967 -1.397 1.00 0.00 C ATOM 758 C GLY A 50 19.090 -8.853 -0.711 1.00 0.00 C ATOM 759 O GLY A 50 19.004 -8.815 0.517 1.00 0.00 O ATOM 0 H GLY A 50 18.429 -10.622 -2.785 1.00 0.00 H new ATOM 0 HA2 GLY A 50 19.778 -10.876 -0.801 1.00 0.00 H new ATOM 0 HA3 GLY A 50 20.912 -9.704 -1.442 1.00 0.00 H new ATOM 763 N GLU A 51 18.535 -7.942 -1.504 1.00 0.00 N ATOM 764 CA GLU A 51 17.774 -6.820 -0.964 1.00 0.00 C ATOM 765 C GLU A 51 16.276 -7.039 -1.150 1.00 0.00 C ATOM 766 O GLU A 51 15.478 -6.734 -0.263 1.00 0.00 O ATOM 767 CB GLU A 51 18.203 -5.515 -1.638 1.00 0.00 C ATOM 768 CG GLU A 51 18.789 -4.496 -0.675 1.00 0.00 C ATOM 769 CD GLU A 51 20.255 -4.745 -0.383 1.00 0.00 C ATOM 770 OE1 GLU A 51 21.102 -4.325 -1.200 1.00 0.00 O ATOM 771 OE2 GLU A 51 20.558 -5.361 0.661 1.00 0.00 O ATOM 0 H GLU A 51 18.598 -7.958 -2.522 1.00 0.00 H new ATOM 0 HA GLU A 51 17.980 -6.752 0.104 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.940 -5.739 -2.409 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.341 -5.075 -2.140 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.670 -3.496 -1.093 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.227 -4.519 0.259 1.00 0.00 H new ATOM 778 N LEU A 52 15.900 -7.569 -2.309 1.00 0.00 N ATOM 779 CA LEU A 52 14.497 -7.828 -2.612 1.00 0.00 C ATOM 780 C LEU A 52 13.944 -8.959 -1.750 1.00 0.00 C ATOM 781 O LEU A 52 12.732 -9.076 -1.567 1.00 0.00 O ATOM 782 CB LEU A 52 14.331 -8.175 -4.094 1.00 0.00 C ATOM 783 CG LEU A 52 12.929 -7.938 -4.661 1.00 0.00 C ATOM 784 CD1 LEU A 52 12.663 -6.450 -4.823 1.00 0.00 C ATOM 785 CD2 LEU A 52 12.766 -8.658 -5.991 1.00 0.00 C ATOM 0 H LEU A 52 16.547 -7.828 -3.054 1.00 0.00 H new ATOM 0 HA LEU A 52 13.934 -6.922 -2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.044 -7.587 -4.671 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.592 -9.223 -4.238 1.00 0.00 H new ATOM 0 HG LEU A 52 12.200 -8.341 -3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.662 -6.301 -5.227 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.739 -5.959 -3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.397 -6.021 -5.505 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.764 -8.480 -6.381 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.504 -8.283 -6.701 1.00 0.00 H new ATOM 0 HD23 LEU A 52 12.914 -9.728 -5.846 1.00 0.00 H new ATOM 797 N GLU A 53 14.836 -9.793 -1.222 1.00 0.00 N ATOM 798 CA GLU A 53 14.430 -10.914 -0.382 1.00 0.00 C ATOM 799 C GLU A 53 14.610 -10.585 1.097 1.00 0.00 C ATOM 800 O GLU A 53 13.865 -11.074 1.946 1.00 0.00 O ATOM 801 CB GLU A 53 15.235 -12.165 -0.740 1.00 0.00 C ATOM 802 CG GLU A 53 14.678 -12.926 -1.932 1.00 0.00 C ATOM 803 CD GLU A 53 14.775 -14.429 -1.761 1.00 0.00 C ATOM 804 OE1 GLU A 53 14.253 -14.946 -0.751 1.00 0.00 O ATOM 805 OE2 GLU A 53 15.373 -15.089 -2.637 1.00 0.00 O ATOM 0 H GLU A 53 15.843 -9.713 -1.361 1.00 0.00 H new ATOM 0 HA GLU A 53 13.373 -11.105 -0.565 1.00 0.00 H new ATOM 0 HB2 GLU A 53 16.264 -11.876 -0.953 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.262 -12.829 0.124 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.635 -12.648 -2.081 1.00 0.00 H new ATOM 0 HG3 GLU A 53 15.218 -12.631 -2.832 1.00 0.00 H new ATOM 812 N SER A 54 15.604 -9.757 1.398 1.00 0.00 N ATOM 813 CA SER A 54 15.882 -9.365 2.775 1.00 0.00 C ATOM 814 C SER A 54 14.703 -8.609 3.379 1.00 0.00 C ATOM 815 O SER A 54 14.464 -8.673 4.585 1.00 0.00 O ATOM 816 CB SER A 54 17.142 -8.499 2.837 1.00 0.00 C ATOM 817 OG SER A 54 17.013 -7.353 2.012 1.00 0.00 O ATOM 0 H SER A 54 16.231 -9.344 0.707 1.00 0.00 H new ATOM 0 HA SER A 54 16.043 -10.273 3.356 1.00 0.00 H new ATOM 0 HB2 SER A 54 17.326 -8.191 3.866 1.00 0.00 H new ATOM 0 HB3 SER A 54 18.005 -9.084 2.520 1.00 0.00 H new ATOM 0 HG SER A 54 16.254 -7.472 1.404 1.00 0.00 H new ATOM 823 N LEU A 55 13.969 -7.893 2.534 1.00 0.00 N ATOM 824 CA LEU A 55 12.814 -7.123 2.985 1.00 0.00 C ATOM 825 C LEU A 55 11.786 -8.026 3.659 1.00 0.00 C ATOM 826 O LEU A 55 11.942 -9.247 3.690 1.00 0.00 O ATOM 827 CB LEU A 55 12.172 -6.389 1.808 1.00 0.00 C ATOM 828 CG LEU A 55 12.749 -5.003 1.517 1.00 0.00 C ATOM 829 CD1 LEU A 55 12.062 -4.380 0.311 1.00 0.00 C ATOM 830 CD2 LEU A 55 12.609 -4.102 2.736 1.00 0.00 C ATOM 0 H LEU A 55 14.153 -7.829 1.533 1.00 0.00 H new ATOM 0 HA LEU A 55 13.161 -6.391 3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.277 -7.005 0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.104 -6.288 2.001 1.00 0.00 H new ATOM 0 HG LEU A 55 13.809 -5.112 1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.486 -3.394 0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.212 -5.015 -0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.995 -4.283 0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.025 -3.120 2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.555 -4.000 2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.147 -4.541 3.576 1.00 0.00 H new ATOM 842 N SER A 56 10.734 -7.418 4.198 1.00 0.00 N ATOM 843 CA SER A 56 9.678 -8.165 4.871 1.00 0.00 C ATOM 844 C SER A 56 8.339 -7.447 4.746 1.00 0.00 C ATOM 845 O SER A 56 8.279 -6.294 4.318 1.00 0.00 O ATOM 846 CB SER A 56 10.028 -8.365 6.346 1.00 0.00 C ATOM 847 OG SER A 56 9.197 -9.348 6.939 1.00 0.00 O ATOM 0 H SER A 56 10.590 -6.408 4.182 1.00 0.00 H new ATOM 0 HA SER A 56 9.593 -9.139 4.390 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.072 -8.664 6.438 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.918 -7.421 6.880 1.00 0.00 H new ATOM 0 HG SER A 56 9.442 -9.458 7.881 1.00 0.00 H new ATOM 853 N GLN A 57 7.266 -8.135 5.123 1.00 0.00 N ATOM 854 CA GLN A 57 5.927 -7.561 5.055 1.00 0.00 C ATOM 855 C GLN A 57 5.811 -6.337 5.958 1.00 0.00 C ATOM 856 O GLN A 57 5.051 -5.412 5.673 1.00 0.00 O ATOM 857 CB GLN A 57 4.881 -8.607 5.449 1.00 0.00 C ATOM 858 CG GLN A 57 4.015 -9.068 4.288 1.00 0.00 C ATOM 859 CD GLN A 57 3.748 -10.561 4.318 1.00 0.00 C ATOM 860 OE1 GLN A 57 4.543 -11.356 3.817 1.00 0.00 O ATOM 861 NE2 GLN A 57 2.622 -10.949 4.907 1.00 0.00 N ATOM 0 H GLN A 57 7.298 -9.090 5.479 1.00 0.00 H new ATOM 0 HA GLN A 57 5.745 -7.246 4.027 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.387 -9.471 5.879 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.240 -8.193 6.227 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.066 -8.532 4.312 1.00 0.00 H new ATOM 0 HG3 GLN A 57 4.504 -8.809 3.349 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.992 -10.255 5.309 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.388 -11.941 4.957 1.00 0.00 H new ATOM 870 N VAL A 58 6.569 -6.339 7.050 1.00 0.00 N ATOM 871 CA VAL A 58 6.550 -5.230 7.995 1.00 0.00 C ATOM 872 C VAL A 58 7.655 -4.224 7.687 1.00 0.00 C ATOM 873 O VAL A 58 7.483 -3.020 7.879 1.00 0.00 O ATOM 874 CB VAL A 58 6.712 -5.723 9.445 1.00 0.00 C ATOM 875 CG1 VAL A 58 6.488 -4.582 10.427 1.00 0.00 C ATOM 876 CG2 VAL A 58 5.758 -6.873 9.727 1.00 0.00 C ATOM 0 H VAL A 58 7.204 -7.097 7.302 1.00 0.00 H new ATOM 0 HA VAL A 58 5.580 -4.744 7.890 1.00 0.00 H new ATOM 0 HB VAL A 58 7.732 -6.086 9.573 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.607 -4.950 11.446 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.216 -3.792 10.239 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.481 -4.185 10.300 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.887 -7.208 10.756 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.731 -6.538 9.580 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.971 -7.698 9.047 1.00 0.00 H new ATOM 886 N ASP A 59 8.789 -4.726 7.208 1.00 0.00 N ATOM 887 CA ASP A 59 9.921 -3.870 6.873 1.00 0.00 C ATOM 888 C ASP A 59 9.692 -3.158 5.543 1.00 0.00 C ATOM 889 O ASP A 59 10.155 -2.036 5.342 1.00 0.00 O ATOM 890 CB ASP A 59 11.208 -4.695 6.807 1.00 0.00 C ATOM 891 CG ASP A 59 11.633 -5.214 8.167 1.00 0.00 C ATOM 892 OD1 ASP A 59 10.872 -6.001 8.767 1.00 0.00 O ATOM 893 OD2 ASP A 59 12.727 -4.832 8.632 1.00 0.00 O ATOM 0 H ASP A 59 8.948 -5.720 7.043 1.00 0.00 H new ATOM 0 HA ASP A 59 10.018 -3.117 7.655 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.063 -5.536 6.129 1.00 0.00 H new ATOM 0 HB3 ASP A 59 12.007 -4.083 6.389 1.00 0.00 H new ATOM 898 N LEU A 60 8.975 -3.819 4.640 1.00 0.00 N ATOM 899 CA LEU A 60 8.685 -3.248 3.329 1.00 0.00 C ATOM 900 C LEU A 60 7.904 -1.946 3.462 1.00 0.00 C ATOM 901 O LEU A 60 8.173 -0.974 2.755 1.00 0.00 O ATOM 902 CB LEU A 60 7.895 -4.246 2.480 1.00 0.00 C ATOM 903 CG LEU A 60 7.546 -3.764 1.071 1.00 0.00 C ATOM 904 CD1 LEU A 60 8.775 -3.807 0.175 1.00 0.00 C ATOM 905 CD2 LEU A 60 6.425 -4.607 0.483 1.00 0.00 C ATOM 0 H LEU A 60 8.585 -4.749 4.791 1.00 0.00 H new ATOM 0 HA LEU A 60 9.633 -3.032 2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.471 -5.168 2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.971 -4.493 3.002 1.00 0.00 H new ATOM 0 HG LEU A 60 7.202 -2.731 1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.509 -3.461 -0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.550 -3.161 0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.148 -4.830 0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.189 -4.250 -0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.741 -5.649 0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.540 -4.527 1.114 1.00 0.00 H new ATOM 917 N ALA A 61 6.935 -1.932 4.371 1.00 0.00 N ATOM 918 CA ALA A 61 6.113 -0.748 4.595 1.00 0.00 C ATOM 919 C ALA A 61 6.968 0.442 5.015 1.00 0.00 C ATOM 920 O ALA A 61 6.677 1.585 4.659 1.00 0.00 O ATOM 921 CB ALA A 61 5.051 -1.035 5.646 1.00 0.00 C ATOM 0 H ALA A 61 6.699 -2.727 4.965 1.00 0.00 H new ATOM 0 HA ALA A 61 5.620 -0.494 3.656 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.445 -0.143 5.804 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.414 -1.852 5.306 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.533 -1.316 6.582 1.00 0.00 H new ATOM 927 N SER A 62 8.022 0.168 5.776 1.00 0.00 N ATOM 928 CA SER A 62 8.919 1.218 6.246 1.00 0.00 C ATOM 929 C SER A 62 9.951 1.573 5.181 1.00 0.00 C ATOM 930 O SER A 62 10.410 2.712 5.101 1.00 0.00 O ATOM 931 CB SER A 62 9.625 0.777 7.529 1.00 0.00 C ATOM 932 OG SER A 62 10.007 1.895 8.313 1.00 0.00 O ATOM 0 H SER A 62 8.276 -0.772 6.081 1.00 0.00 H new ATOM 0 HA SER A 62 8.320 2.105 6.454 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.964 0.132 8.108 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.506 0.187 7.278 1.00 0.00 H new ATOM 0 HG SER A 62 10.455 1.585 9.128 1.00 0.00 H new ATOM 938 N LYS A 63 10.313 0.589 4.364 1.00 0.00 N ATOM 939 CA LYS A 63 11.292 0.798 3.303 1.00 0.00 C ATOM 940 C LYS A 63 10.718 1.679 2.197 1.00 0.00 C ATOM 941 O LYS A 63 11.378 2.602 1.720 1.00 0.00 O ATOM 942 CB LYS A 63 11.741 -0.546 2.724 1.00 0.00 C ATOM 943 CG LYS A 63 13.251 -0.739 2.738 1.00 0.00 C ATOM 944 CD LYS A 63 13.810 -0.878 1.330 1.00 0.00 C ATOM 945 CE LYS A 63 15.053 -1.754 1.309 1.00 0.00 C ATOM 946 NZ LYS A 63 16.215 -1.085 1.955 1.00 0.00 N ATOM 0 H LYS A 63 9.943 -0.360 4.416 1.00 0.00 H new ATOM 0 HA LYS A 63 12.155 1.306 3.733 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.274 -1.351 3.292 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.382 -0.629 1.698 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.722 0.109 3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.500 -1.628 3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.050 -1.306 0.676 1.00 0.00 H new ATOM 0 HD3 LYS A 63 14.052 0.108 0.934 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.844 -2.693 1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 63 15.304 -2.003 0.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 17.042 -1.715 1.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.431 -0.201 1.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.985 -0.871 2.946 1.00 0.00 H new ATOM 960 N LEU A 64 9.486 1.386 1.794 1.00 0.00 N ATOM 961 CA LEU A 64 8.824 2.151 0.743 1.00 0.00 C ATOM 962 C LEU A 64 8.692 3.618 1.138 1.00 0.00 C ATOM 963 O LEU A 64 8.729 4.506 0.285 1.00 0.00 O ATOM 964 CB LEU A 64 7.441 1.564 0.451 1.00 0.00 C ATOM 965 CG LEU A 64 7.449 0.136 -0.097 1.00 0.00 C ATOM 966 CD1 LEU A 64 6.034 -0.420 -0.158 1.00 0.00 C ATOM 967 CD2 LEU A 64 8.098 0.095 -1.471 1.00 0.00 C ATOM 0 H LEU A 64 8.926 0.625 2.179 1.00 0.00 H new ATOM 0 HA LEU A 64 9.436 2.089 -0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.854 1.582 1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.932 2.209 -0.265 1.00 0.00 H new ATOM 0 HG LEU A 64 8.035 -0.488 0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.059 -1.437 -0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.603 -0.428 0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.425 0.206 -0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.095 -0.929 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.540 0.733 -2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.126 0.451 -1.399 1.00 0.00 H new ATOM 979 N ILE A 65 8.538 3.866 2.434 1.00 0.00 N ATOM 980 CA ILE A 65 8.402 5.226 2.940 1.00 0.00 C ATOM 981 C ILE A 65 9.766 5.863 3.181 1.00 0.00 C ATOM 982 O ILE A 65 9.930 7.075 3.043 1.00 0.00 O ATOM 983 CB ILE A 65 7.592 5.259 4.250 1.00 0.00 C ATOM 984 CG1 ILE A 65 6.290 4.473 4.092 1.00 0.00 C ATOM 985 CG2 ILE A 65 7.303 6.696 4.660 1.00 0.00 C ATOM 986 CD1 ILE A 65 5.617 4.147 5.407 1.00 0.00 C ATOM 0 H ILE A 65 8.504 3.143 3.153 1.00 0.00 H new ATOM 0 HA ILE A 65 7.869 5.795 2.178 1.00 0.00 H new ATOM 0 HB ILE A 65 8.184 4.790 5.036 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.601 5.048 3.473 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.498 3.545 3.560 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.730 6.702 5.587 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.243 7.227 4.811 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.729 7.190 3.876 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.700 3.589 5.218 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.288 3.545 6.020 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.377 5.072 5.932 1.00 0.00 H new ATOM 998 N SER A 66 10.743 5.037 3.543 1.00 0.00 N ATOM 999 CA SER A 66 12.094 5.520 3.802 1.00 0.00 C ATOM 1000 C SER A 66 12.819 5.840 2.498 1.00 0.00 C ATOM 1001 O SER A 66 13.672 6.726 2.453 1.00 0.00 O ATOM 1002 CB SER A 66 12.886 4.478 4.596 1.00 0.00 C ATOM 1003 OG SER A 66 14.173 4.964 4.931 1.00 0.00 O ATOM 0 H SER A 66 10.624 4.031 3.663 1.00 0.00 H new ATOM 0 HA SER A 66 12.019 6.436 4.388 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.343 4.219 5.505 1.00 0.00 H new ATOM 0 HB3 SER A 66 12.980 3.564 4.010 1.00 0.00 H new ATOM 0 HG SER A 66 14.659 4.281 5.439 1.00 0.00 H new ATOM 1009 N MET A 67 12.472 5.113 1.440 1.00 0.00 N ATOM 1010 CA MET A 67 13.091 5.321 0.137 1.00 0.00 C ATOM 1011 C MET A 67 12.446 6.496 -0.592 1.00 0.00 C ATOM 1012 O MET A 67 13.137 7.342 -1.159 1.00 0.00 O ATOM 1013 CB MET A 67 12.977 4.055 -0.713 1.00 0.00 C ATOM 1014 CG MET A 67 13.833 2.904 -0.210 1.00 0.00 C ATOM 1015 SD MET A 67 14.183 1.685 -1.492 1.00 0.00 S ATOM 1016 CE MET A 67 12.615 0.823 -1.576 1.00 0.00 C ATOM 0 H MET A 67 11.767 4.376 1.460 1.00 0.00 H new ATOM 0 HA MET A 67 14.145 5.550 0.297 1.00 0.00 H new ATOM 0 HB2 MET A 67 11.935 3.737 -0.738 1.00 0.00 H new ATOM 0 HB3 MET A 67 13.264 4.289 -1.738 1.00 0.00 H new ATOM 0 HG2 MET A 67 14.773 3.298 0.177 1.00 0.00 H new ATOM 0 HG3 MET A 67 13.325 2.415 0.621 1.00 0.00 H new ATOM 0 HE1 MET A 67 12.772 -0.180 -1.972 1.00 0.00 H new ATOM 0 HE2 MET A 67 12.183 0.755 -0.577 1.00 0.00 H new ATOM 0 HE3 MET A 67 11.934 1.369 -2.229 1.00 0.00 H new ATOM 1026 N TYR A 68 11.118 6.540 -0.574 1.00 0.00 N ATOM 1027 CA TYR A 68 10.379 7.611 -1.234 1.00 0.00 C ATOM 1028 C TYR A 68 9.509 8.367 -0.236 1.00 0.00 C ATOM 1029 O TYR A 68 9.747 9.543 0.044 1.00 0.00 O ATOM 1030 CB TYR A 68 9.511 7.042 -2.358 1.00 0.00 C ATOM 1031 CG TYR A 68 10.233 6.042 -3.233 1.00 0.00 C ATOM 1032 CD1 TYR A 68 11.293 6.433 -4.041 1.00 0.00 C ATOM 1033 CD2 TYR A 68 9.854 4.705 -3.251 1.00 0.00 C ATOM 1034 CE1 TYR A 68 11.955 5.521 -4.842 1.00 0.00 C ATOM 1035 CE2 TYR A 68 10.511 3.787 -4.048 1.00 0.00 C ATOM 1036 CZ TYR A 68 11.560 4.201 -4.842 1.00 0.00 C ATOM 1037 OH TYR A 68 12.216 3.291 -5.639 1.00 0.00 O ATOM 0 H TYR A 68 10.531 5.847 -0.110 1.00 0.00 H new ATOM 0 HA TYR A 68 11.101 8.308 -1.659 1.00 0.00 H new ATOM 0 HB2 TYR A 68 8.634 6.564 -1.922 1.00 0.00 H new ATOM 0 HB3 TYR A 68 9.151 7.863 -2.979 1.00 0.00 H new ATOM 0 HD1 TYR A 68 11.605 7.467 -4.044 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.032 4.378 -2.632 1.00 0.00 H new ATOM 0 HE1 TYR A 68 12.777 5.842 -5.464 1.00 0.00 H new ATOM 0 HE2 TYR A 68 10.205 2.751 -4.049 1.00 0.00 H new ATOM 0 HH TYR A 68 11.815 2.404 -5.521 1.00 0.00 H new ATOM 1047 N GLY A 69 8.500 7.687 0.297 1.00 0.00 N ATOM 1048 CA GLY A 69 7.609 8.311 1.258 1.00 0.00 C ATOM 1049 C GLY A 69 6.298 7.564 1.404 1.00 0.00 C ATOM 1050 O GLY A 69 6.055 6.579 0.707 1.00 0.00 O ATOM 0 H GLY A 69 8.283 6.714 0.081 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.104 8.362 2.228 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.407 9.336 0.949 1.00 0.00 H new ATOM 1054 N ALA A 70 5.450 8.034 2.315 1.00 0.00 N ATOM 1055 CA ALA A 70 4.158 7.404 2.551 1.00 0.00 C ATOM 1056 C ALA A 70 3.198 7.667 1.396 1.00 0.00 C ATOM 1057 O ALA A 70 2.332 6.845 1.096 1.00 0.00 O ATOM 1058 CB ALA A 70 3.561 7.901 3.859 1.00 0.00 C ATOM 0 H ALA A 70 5.636 8.848 2.900 1.00 0.00 H new ATOM 0 HA ALA A 70 4.314 6.327 2.620 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.596 7.422 4.023 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.232 7.656 4.682 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.427 8.982 3.810 1.00 0.00 H new ATOM 1064 N GLN A 71 3.357 8.818 0.752 1.00 0.00 N ATOM 1065 CA GLN A 71 2.504 9.190 -0.370 1.00 0.00 C ATOM 1066 C GLN A 71 2.934 8.471 -1.644 1.00 0.00 C ATOM 1067 O GLN A 71 2.112 8.174 -2.511 1.00 0.00 O ATOM 1068 CB GLN A 71 2.543 10.704 -0.589 1.00 0.00 C ATOM 1069 CG GLN A 71 2.344 11.507 0.686 1.00 0.00 C ATOM 1070 CD GLN A 71 3.355 12.628 0.834 1.00 0.00 C ATOM 1071 OE1 GLN A 71 3.794 13.218 -0.154 1.00 0.00 O ATOM 1072 NE2 GLN A 71 3.730 12.928 2.072 1.00 0.00 N ATOM 0 H GLN A 71 4.069 9.509 0.988 1.00 0.00 H new ATOM 0 HA GLN A 71 1.484 8.890 -0.131 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.501 10.974 -1.033 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.770 10.979 -1.307 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.338 11.927 0.693 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.417 10.841 1.546 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.341 12.413 2.862 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.407 13.673 2.233 1.00 0.00 H new ATOM 1081 N GLU A 72 4.230 8.192 -1.751 1.00 0.00 N ATOM 1082 CA GLU A 72 4.771 7.508 -2.920 1.00 0.00 C ATOM 1083 C GLU A 72 4.747 5.995 -2.725 1.00 0.00 C ATOM 1084 O GLU A 72 4.597 5.237 -3.684 1.00 0.00 O ATOM 1085 CB GLU A 72 6.201 7.979 -3.195 1.00 0.00 C ATOM 1086 CG GLU A 72 6.460 8.318 -4.654 1.00 0.00 C ATOM 1087 CD GLU A 72 7.326 9.551 -4.820 1.00 0.00 C ATOM 1088 OE1 GLU A 72 8.420 9.594 -4.220 1.00 0.00 O ATOM 1089 OE2 GLU A 72 6.909 10.475 -5.551 1.00 0.00 O ATOM 0 H GLU A 72 4.924 8.429 -1.042 1.00 0.00 H new ATOM 0 HA GLU A 72 4.145 7.754 -3.777 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.409 8.857 -2.584 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.897 7.201 -2.882 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.944 7.471 -5.140 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.508 8.476 -5.161 1.00 0.00 H new ATOM 1096 N ALA A 73 4.899 5.562 -1.478 1.00 0.00 N ATOM 1097 CA ALA A 73 4.897 4.139 -1.157 1.00 0.00 C ATOM 1098 C ALA A 73 3.547 3.504 -1.472 1.00 0.00 C ATOM 1099 O ALA A 73 3.480 2.380 -1.969 1.00 0.00 O ATOM 1100 CB ALA A 73 5.249 3.931 0.309 1.00 0.00 C ATOM 0 H ALA A 73 5.025 6.176 -0.673 1.00 0.00 H new ATOM 0 HA ALA A 73 5.650 3.652 -1.776 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.244 2.865 0.537 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.240 4.340 0.507 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.515 4.439 0.935 1.00 0.00 H new ATOM 1106 N VAL A 74 2.473 4.231 -1.180 1.00 0.00 N ATOM 1107 CA VAL A 74 1.124 3.737 -1.432 1.00 0.00 C ATOM 1108 C VAL A 74 0.866 3.577 -2.926 1.00 0.00 C ATOM 1109 O VAL A 74 0.082 2.724 -3.343 1.00 0.00 O ATOM 1110 CB VAL A 74 0.061 4.679 -0.835 1.00 0.00 C ATOM 1111 CG1 VAL A 74 -1.327 4.075 -0.972 1.00 0.00 C ATOM 1112 CG2 VAL A 74 0.375 4.988 0.621 1.00 0.00 C ATOM 0 H VAL A 74 2.511 5.164 -0.769 1.00 0.00 H new ATOM 0 HA VAL A 74 1.048 2.763 -0.948 1.00 0.00 H new ATOM 0 HB VAL A 74 0.081 5.616 -1.392 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.064 4.755 -0.545 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.551 3.913 -2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.363 3.122 -0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.387 5.655 1.024 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.387 4.062 1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.350 5.470 0.689 1.00 0.00 H new ATOM 1122 N ARG A 75 1.529 4.402 -3.730 1.00 0.00 N ATOM 1123 CA ARG A 75 1.369 4.350 -5.179 1.00 0.00 C ATOM 1124 C ARG A 75 2.102 3.149 -5.768 1.00 0.00 C ATOM 1125 O ARG A 75 1.684 2.590 -6.782 1.00 0.00 O ATOM 1126 CB ARG A 75 1.887 5.642 -5.815 1.00 0.00 C ATOM 1127 CG ARG A 75 0.998 6.172 -6.928 1.00 0.00 C ATOM 1128 CD ARG A 75 1.387 7.586 -7.327 1.00 0.00 C ATOM 1129 NE ARG A 75 1.203 8.534 -6.231 1.00 0.00 N ATOM 1130 CZ ARG A 75 1.206 9.856 -6.386 1.00 0.00 C ATOM 1131 NH1 ARG A 75 1.382 10.390 -7.589 1.00 0.00 N ATOM 1132 NH2 ARG A 75 1.032 10.647 -5.336 1.00 0.00 N ATOM 0 H ARG A 75 2.182 5.114 -3.403 1.00 0.00 H new ATOM 0 HA ARG A 75 0.307 4.244 -5.398 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.981 6.405 -5.042 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.887 5.466 -6.213 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.069 5.516 -7.795 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.042 6.158 -6.602 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.429 7.599 -7.646 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.788 7.899 -8.182 1.00 0.00 H new ATOM 0 HE ARG A 75 1.064 8.161 -5.292 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.516 9.786 -8.400 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.383 11.404 -7.702 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.896 10.242 -4.410 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.034 11.660 -5.455 1.00 0.00 H new ATOM 1146 N VAL A 76 3.197 2.757 -5.126 1.00 0.00 N ATOM 1147 CA VAL A 76 3.989 1.623 -5.587 1.00 0.00 C ATOM 1148 C VAL A 76 3.195 0.323 -5.494 1.00 0.00 C ATOM 1149 O VAL A 76 3.149 -0.457 -6.445 1.00 0.00 O ATOM 1150 CB VAL A 76 5.288 1.477 -4.771 1.00 0.00 C ATOM 1151 CG1 VAL A 76 6.174 0.390 -5.364 1.00 0.00 C ATOM 1152 CG2 VAL A 76 6.031 2.803 -4.705 1.00 0.00 C ATOM 0 H VAL A 76 3.556 3.208 -4.285 1.00 0.00 H new ATOM 0 HA VAL A 76 4.242 1.817 -6.629 1.00 0.00 H new ATOM 0 HB VAL A 76 5.024 1.184 -3.755 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.086 0.302 -4.774 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.641 -0.561 -5.352 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.430 0.649 -6.391 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.945 2.679 -4.125 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.283 3.129 -5.714 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.398 3.552 -4.229 1.00 0.00 H new ATOM 1162 N VAL A 77 2.572 0.097 -4.342 1.00 0.00 N ATOM 1163 CA VAL A 77 1.781 -1.108 -4.124 1.00 0.00 C ATOM 1164 C VAL A 77 0.564 -1.143 -5.042 1.00 0.00 C ATOM 1165 O VAL A 77 0.222 -2.189 -5.596 1.00 0.00 O ATOM 1166 CB VAL A 77 1.310 -1.214 -2.662 1.00 0.00 C ATOM 1167 CG1 VAL A 77 0.664 -2.567 -2.405 1.00 0.00 C ATOM 1168 CG2 VAL A 77 2.473 -0.981 -1.709 1.00 0.00 C ATOM 0 H VAL A 77 2.600 0.733 -3.545 1.00 0.00 H new ATOM 0 HA VAL A 77 2.428 -1.955 -4.352 1.00 0.00 H new ATOM 0 HB VAL A 77 0.562 -0.441 -2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.338 -2.623 -1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.196 -2.690 -3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.387 -3.359 -2.601 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.122 -1.060 -0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.245 -1.730 -1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.887 0.014 -1.876 1.00 0.00 H new ATOM 1178 N SER A 78 -0.088 0.004 -5.198 1.00 0.00 N ATOM 1179 CA SER A 78 -1.270 0.104 -6.047 1.00 0.00 C ATOM 1180 C SER A 78 -0.959 -0.339 -7.474 1.00 0.00 C ATOM 1181 O SER A 78 -1.828 -0.853 -8.177 1.00 0.00 O ATOM 1182 CB SER A 78 -1.800 1.539 -6.051 1.00 0.00 C ATOM 1183 OG SER A 78 -2.527 1.818 -4.867 1.00 0.00 O ATOM 0 H SER A 78 0.182 0.878 -4.747 1.00 0.00 H new ATOM 0 HA SER A 78 -2.034 -0.559 -5.640 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.968 2.237 -6.143 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.441 1.691 -6.919 1.00 0.00 H new ATOM 0 HG SER A 78 -1.913 2.140 -4.174 1.00 0.00 H new ATOM 1189 N ARG A 79 0.285 -0.135 -7.895 1.00 0.00 N ATOM 1190 CA ARG A 79 0.708 -0.514 -9.238 1.00 0.00 C ATOM 1191 C ARG A 79 0.897 -2.025 -9.344 1.00 0.00 C ATOM 1192 O ARG A 79 0.495 -2.641 -10.331 1.00 0.00 O ATOM 1193 CB ARG A 79 2.009 0.205 -9.606 1.00 0.00 C ATOM 1194 CG ARG A 79 1.824 1.306 -10.636 1.00 0.00 C ATOM 1195 CD ARG A 79 2.749 2.482 -10.368 1.00 0.00 C ATOM 1196 NE ARG A 79 2.184 3.743 -10.845 1.00 0.00 N ATOM 1197 CZ ARG A 79 2.163 4.110 -12.123 1.00 0.00 C ATOM 1198 NH1 ARG A 79 2.674 3.316 -13.057 1.00 0.00 N ATOM 1199 NH2 ARG A 79 1.629 5.273 -12.470 1.00 0.00 N ATOM 0 H ARG A 79 1.017 0.290 -7.326 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.073 -0.216 -9.937 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.446 0.633 -8.704 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.722 -0.525 -9.990 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.018 0.909 -11.633 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.789 1.646 -10.624 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.943 2.554 -9.298 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.708 2.307 -10.855 1.00 0.00 H new ATOM 0 HE ARG A 79 1.782 4.379 -10.157 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.085 2.420 -12.795 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.655 3.602 -14.036 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.234 5.886 -11.757 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.613 5.555 -13.450 1.00 0.00 H new ATOM 1213 N SER A 80 1.511 -2.613 -8.324 1.00 0.00 N ATOM 1214 CA SER A 80 1.753 -4.051 -8.304 1.00 0.00 C ATOM 1215 C SER A 80 0.446 -4.823 -8.148 1.00 0.00 C ATOM 1216 O SER A 80 0.309 -5.939 -8.649 1.00 0.00 O ATOM 1217 CB SER A 80 2.713 -4.411 -7.167 1.00 0.00 C ATOM 1218 OG SER A 80 3.735 -5.282 -7.619 1.00 0.00 O ATOM 0 H SER A 80 1.850 -2.117 -7.500 1.00 0.00 H new ATOM 0 HA SER A 80 2.205 -4.331 -9.255 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.158 -3.502 -6.761 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.160 -4.884 -6.356 1.00 0.00 H new ATOM 0 HG SER A 80 4.336 -5.495 -6.875 1.00 0.00 H new ATOM 1224 N LEU A 81 -0.512 -4.221 -7.449 1.00 0.00 N ATOM 1225 CA LEU A 81 -1.807 -4.853 -7.227 1.00 0.00 C ATOM 1226 C LEU A 81 -2.510 -5.136 -8.551 1.00 0.00 C ATOM 1227 O LEU A 81 -3.264 -6.102 -8.669 1.00 0.00 O ATOM 1228 CB LEU A 81 -2.688 -3.962 -6.349 1.00 0.00 C ATOM 1229 CG LEU A 81 -2.318 -3.947 -4.865 1.00 0.00 C ATOM 1230 CD1 LEU A 81 -3.215 -2.985 -4.101 1.00 0.00 C ATOM 1231 CD2 LEU A 81 -2.414 -5.347 -4.278 1.00 0.00 C ATOM 0 H LEU A 81 -0.415 -3.297 -7.027 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.637 -5.801 -6.717 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.641 -2.942 -6.730 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.723 -4.291 -6.447 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.288 -3.604 -4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.937 -2.988 -3.047 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.097 -1.979 -4.505 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.254 -3.298 -4.203 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.147 -5.318 -3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.434 -5.717 -4.385 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.730 -6.011 -4.807 1.00 0.00 H new ATOM 1243 N LEU A 82 -2.259 -4.288 -9.542 1.00 0.00 N ATOM 1244 CA LEU A 82 -2.869 -4.447 -10.857 1.00 0.00 C ATOM 1245 C LEU A 82 -2.325 -5.684 -11.565 1.00 0.00 C ATOM 1246 O LEU A 82 -3.049 -6.367 -12.289 1.00 0.00 O ATOM 1247 CB LEU A 82 -2.619 -3.204 -11.712 1.00 0.00 C ATOM 1248 CG LEU A 82 -3.250 -1.915 -11.183 1.00 0.00 C ATOM 1249 CD1 LEU A 82 -2.717 -0.709 -11.941 1.00 0.00 C ATOM 1250 CD2 LEU A 82 -4.766 -1.985 -11.284 1.00 0.00 C ATOM 0 H LEU A 82 -1.637 -3.483 -9.460 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.943 -4.574 -10.718 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.543 -3.054 -11.801 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.999 -3.391 -12.716 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.980 -1.805 -10.133 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.177 0.199 -11.551 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.636 -0.650 -11.817 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.955 -0.810 -13.000 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.199 -1.060 -10.903 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.055 -2.119 -12.326 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.131 -2.826 -10.695 1.00 0.00 H new ATOM 1262 N ALA A 83 -1.043 -5.965 -11.352 1.00 0.00 N ATOM 1263 CA ALA A 83 -0.401 -7.120 -11.971 1.00 0.00 C ATOM 1264 C ALA A 83 -1.090 -8.417 -11.561 1.00 0.00 C ATOM 1265 O ALA A 83 -1.135 -9.377 -12.330 1.00 0.00 O ATOM 1266 CB ALA A 83 1.074 -7.164 -11.600 1.00 0.00 C ATOM 0 H ALA A 83 -0.429 -5.410 -10.756 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.491 -7.018 -13.053 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.541 -8.030 -12.068 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.564 -6.255 -11.948 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.175 -7.238 -10.517 1.00 0.00 H new ATOM 1272 N MET A 84 -1.626 -8.439 -10.345 1.00 0.00 N ATOM 1273 CA MET A 84 -2.313 -9.619 -9.833 1.00 0.00 C ATOM 1274 C MET A 84 -3.825 -9.402 -9.769 1.00 0.00 C ATOM 1275 O MET A 84 -4.569 -10.293 -9.360 1.00 0.00 O ATOM 1276 CB MET A 84 -1.781 -9.980 -8.445 1.00 0.00 C ATOM 1277 CG MET A 84 -0.359 -10.518 -8.458 1.00 0.00 C ATOM 1278 SD MET A 84 -0.171 -12.022 -7.482 1.00 0.00 S ATOM 1279 CE MET A 84 -0.372 -11.377 -5.823 1.00 0.00 C ATOM 0 H MET A 84 -1.598 -7.653 -9.696 1.00 0.00 H new ATOM 0 HA MET A 84 -2.117 -10.442 -10.521 1.00 0.00 H new ATOM 0 HB2 MET A 84 -1.820 -9.096 -7.809 1.00 0.00 H new ATOM 0 HB3 MET A 84 -2.438 -10.725 -7.996 1.00 0.00 H new ATOM 0 HG2 MET A 84 -0.061 -10.719 -9.487 1.00 0.00 H new ATOM 0 HG3 MET A 84 0.317 -9.754 -8.074 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.262 -11.937 -5.136 1.00 0.00 H new ATOM 0 HE2 MET A 84 -0.087 -10.325 -5.805 1.00 0.00 H new ATOM 0 HE3 MET A 84 -1.414 -11.476 -5.518 1.00 0.00 H new ATOM 1289 N ASN A 85 -4.276 -8.216 -10.173 1.00 0.00 N ATOM 1290 CA ASN A 85 -5.699 -7.895 -10.157 1.00 0.00 C ATOM 1291 C ASN A 85 -6.253 -7.947 -8.736 1.00 0.00 C ATOM 1292 O ASN A 85 -6.748 -8.982 -8.289 1.00 0.00 O ATOM 1293 CB ASN A 85 -6.473 -8.864 -11.054 1.00 0.00 C ATOM 1294 CG ASN A 85 -6.662 -8.325 -12.459 1.00 0.00 C ATOM 1295 OD1 ASN A 85 -6.810 -7.119 -12.658 1.00 0.00 O ATOM 1296 ND2 ASN A 85 -6.659 -9.219 -13.441 1.00 0.00 N ATOM 0 H ASN A 85 -3.677 -7.464 -10.514 1.00 0.00 H new ATOM 0 HA ASN A 85 -5.821 -6.881 -10.539 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -5.942 -9.815 -11.101 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -7.448 -9.065 -10.611 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -6.783 -8.916 -14.407 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -6.533 -10.209 -13.229 1.00 0.00 H new ATOM 1303 N LEU A 86 -6.166 -6.824 -8.032 1.00 0.00 N ATOM 1304 CA LEU A 86 -6.659 -6.740 -6.662 1.00 0.00 C ATOM 1305 C LEU A 86 -7.201 -5.346 -6.363 1.00 0.00 C ATOM 1306 O LEU A 86 -6.650 -4.615 -5.540 1.00 0.00 O ATOM 1307 CB LEU A 86 -5.543 -7.092 -5.675 1.00 0.00 C ATOM 1308 CG LEU A 86 -5.139 -8.567 -5.654 1.00 0.00 C ATOM 1309 CD1 LEU A 86 -3.861 -8.758 -4.852 1.00 0.00 C ATOM 1310 CD2 LEU A 86 -6.262 -9.419 -5.082 1.00 0.00 C ATOM 0 H LEU A 86 -5.759 -5.959 -8.387 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.473 -7.456 -6.549 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.664 -6.494 -5.915 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.861 -6.804 -4.673 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.952 -8.888 -6.679 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.588 -9.813 -4.848 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.057 -8.177 -5.305 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.020 -8.420 -3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.957 -10.465 -5.075 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.480 -9.097 -4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.154 -9.305 -5.697 1.00 0.00 H new ATOM 1322 N MET A 87 -8.287 -4.983 -7.039 1.00 0.00 N ATOM 1323 CA MET A 87 -8.906 -3.676 -6.849 1.00 0.00 C ATOM 1324 C MET A 87 -9.336 -3.480 -5.397 1.00 0.00 C ATOM 1325 O MET A 87 -9.427 -2.351 -4.915 1.00 0.00 O ATOM 1326 CB MET A 87 -10.114 -3.522 -7.775 1.00 0.00 C ATOM 1327 CG MET A 87 -9.824 -3.894 -9.220 1.00 0.00 C ATOM 1328 SD MET A 87 -10.796 -2.932 -10.394 1.00 0.00 S ATOM 1329 CE MET A 87 -9.786 -1.460 -10.544 1.00 0.00 C ATOM 0 H MET A 87 -8.756 -5.576 -7.723 1.00 0.00 H new ATOM 0 HA MET A 87 -8.167 -2.914 -7.095 1.00 0.00 H new ATOM 0 HB2 MET A 87 -10.927 -4.146 -7.404 1.00 0.00 H new ATOM 0 HB3 MET A 87 -10.461 -2.489 -7.737 1.00 0.00 H new ATOM 0 HG2 MET A 87 -8.764 -3.744 -9.424 1.00 0.00 H new ATOM 0 HG3 MET A 87 -10.030 -4.954 -9.366 1.00 0.00 H new ATOM 0 HE1 MET A 87 -10.257 -0.765 -11.239 1.00 0.00 H new ATOM 0 HE2 MET A 87 -9.687 -0.985 -9.568 1.00 0.00 H new ATOM 0 HE3 MET A 87 -8.798 -1.733 -10.916 1.00 0.00 H new ATOM 1339 N GLU A 88 -9.601 -4.585 -4.705 1.00 0.00 N ATOM 1340 CA GLU A 88 -10.021 -4.532 -3.309 1.00 0.00 C ATOM 1341 C GLU A 88 -9.007 -3.772 -2.460 1.00 0.00 C ATOM 1342 O GLU A 88 -9.372 -3.088 -1.504 1.00 0.00 O ATOM 1343 CB GLU A 88 -10.206 -5.947 -2.758 1.00 0.00 C ATOM 1344 CG GLU A 88 -8.922 -6.758 -2.722 1.00 0.00 C ATOM 1345 CD GLU A 88 -9.106 -8.114 -2.068 1.00 0.00 C ATOM 1346 OE1 GLU A 88 -9.315 -8.156 -0.838 1.00 0.00 O ATOM 1347 OE2 GLU A 88 -9.041 -9.134 -2.787 1.00 0.00 O ATOM 0 H GLU A 88 -9.532 -5.528 -5.089 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.973 -4.002 -3.263 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.615 -5.885 -1.750 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.941 -6.472 -3.368 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.555 -6.896 -3.739 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.159 -6.199 -2.181 1.00 0.00 H new ATOM 1354 N LEU A 89 -7.733 -3.897 -2.816 1.00 0.00 N ATOM 1355 CA LEU A 89 -6.666 -3.221 -2.086 1.00 0.00 C ATOM 1356 C LEU A 89 -6.372 -1.854 -2.696 1.00 0.00 C ATOM 1357 O LEU A 89 -5.988 -0.919 -1.993 1.00 0.00 O ATOM 1358 CB LEU A 89 -5.398 -4.076 -2.086 1.00 0.00 C ATOM 1359 CG LEU A 89 -5.386 -5.216 -1.066 1.00 0.00 C ATOM 1360 CD1 LEU A 89 -4.055 -5.952 -1.103 1.00 0.00 C ATOM 1361 CD2 LEU A 89 -5.664 -4.683 0.331 1.00 0.00 C ATOM 0 H LEU A 89 -7.414 -4.460 -3.605 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.998 -3.077 -1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.263 -4.498 -3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.542 -3.429 -1.895 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.175 -5.921 -1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.065 -6.759 -0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.896 -6.367 -2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.249 -5.258 -0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.652 -5.507 1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.898 -3.957 0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.642 -4.202 0.349 1.00 0.00 H new ATOM 1373 N VAL A 90 -6.555 -1.746 -4.008 1.00 0.00 N ATOM 1374 CA VAL A 90 -6.310 -0.492 -4.713 1.00 0.00 C ATOM 1375 C VAL A 90 -7.357 0.555 -4.350 1.00 0.00 C ATOM 1376 O VAL A 90 -7.075 1.754 -4.347 1.00 0.00 O ATOM 1377 CB VAL A 90 -6.312 -0.696 -6.239 1.00 0.00 C ATOM 1378 CG1 VAL A 90 -5.862 0.573 -6.948 1.00 0.00 C ATOM 1379 CG2 VAL A 90 -5.425 -1.872 -6.622 1.00 0.00 C ATOM 0 H VAL A 90 -6.872 -2.511 -4.604 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.326 -0.141 -4.403 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.331 -0.920 -6.556 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.870 0.410 -8.026 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.541 1.389 -6.700 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -4.853 0.831 -6.627 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.439 -2.001 -7.704 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.404 -1.680 -6.293 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.796 -2.779 -6.144 1.00 0.00 H new ATOM 1389 N ASP A 91 -8.566 0.096 -4.045 1.00 0.00 N ATOM 1390 CA ASP A 91 -9.656 0.994 -3.682 1.00 0.00 C ATOM 1391 C ASP A 91 -9.391 1.651 -2.331 1.00 0.00 C ATOM 1392 O ASP A 91 -9.734 2.814 -2.118 1.00 0.00 O ATOM 1393 CB ASP A 91 -10.981 0.231 -3.639 1.00 0.00 C ATOM 1394 CG ASP A 91 -12.172 1.128 -3.912 1.00 0.00 C ATOM 1395 OD1 ASP A 91 -12.258 1.679 -5.030 1.00 0.00 O ATOM 1396 OD2 ASP A 91 -13.020 1.281 -3.007 1.00 0.00 O ATOM 0 H ASP A 91 -8.816 -0.893 -4.042 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.719 1.774 -4.440 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -10.959 -0.573 -4.375 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.097 -0.235 -2.661 1.00 0.00 H new ATOM 1401 N TYR A 92 -8.778 0.898 -1.423 1.00 0.00 N ATOM 1402 CA TYR A 92 -8.467 1.408 -0.093 1.00 0.00 C ATOM 1403 C TYR A 92 -7.280 2.364 -0.141 1.00 0.00 C ATOM 1404 O TYR A 92 -7.273 3.396 0.532 1.00 0.00 O ATOM 1405 CB TYR A 92 -8.165 0.252 0.862 1.00 0.00 C ATOM 1406 CG TYR A 92 -8.073 0.672 2.313 1.00 0.00 C ATOM 1407 CD1 TYR A 92 -9.196 1.119 2.998 1.00 0.00 C ATOM 1408 CD2 TYR A 92 -6.864 0.621 2.994 1.00 0.00 C ATOM 1409 CE1 TYR A 92 -9.116 1.503 4.323 1.00 0.00 C ATOM 1410 CE2 TYR A 92 -6.776 1.004 4.319 1.00 0.00 C ATOM 1411 CZ TYR A 92 -7.904 1.444 4.979 1.00 0.00 C ATOM 1412 OH TYR A 92 -7.820 1.826 6.298 1.00 0.00 O ATOM 0 H TYR A 92 -8.487 -0.066 -1.584 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.337 1.954 0.271 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.943 -0.505 0.760 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.225 -0.215 0.568 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.146 1.167 2.487 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -5.979 0.277 2.480 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.998 1.848 4.842 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -5.828 0.959 4.835 1.00 0.00 H new ATOM 0 HH TYR A 92 -6.897 1.723 6.610 1.00 0.00 H new ATOM 1422 N LEU A 93 -6.278 2.016 -0.942 1.00 0.00 N ATOM 1423 CA LEU A 93 -5.086 2.843 -1.079 1.00 0.00 C ATOM 1424 C LEU A 93 -5.392 4.112 -1.868 1.00 0.00 C ATOM 1425 O LEU A 93 -4.790 5.161 -1.636 1.00 0.00 O ATOM 1426 CB LEU A 93 -3.970 2.056 -1.769 1.00 0.00 C ATOM 1427 CG LEU A 93 -3.384 0.907 -0.945 1.00 0.00 C ATOM 1428 CD1 LEU A 93 -2.235 0.247 -1.691 1.00 0.00 C ATOM 1429 CD2 LEU A 93 -2.922 1.408 0.415 1.00 0.00 C ATOM 0 H LEU A 93 -6.269 1.166 -1.506 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.756 3.128 -0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.356 1.652 -2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.166 2.745 -2.027 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.164 0.162 -0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.831 -0.567 -1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.597 -0.148 -2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.453 0.982 -1.878 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.508 0.578 0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.157 2.173 0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.769 1.833 0.953 1.00 0.00 H new ATOM 1441 N ASN A 94 -6.331 4.009 -2.803 1.00 0.00 N ATOM 1442 CA ASN A 94 -6.717 5.149 -3.627 1.00 0.00 C ATOM 1443 C ASN A 94 -7.257 6.285 -2.765 1.00 0.00 C ATOM 1444 O ASN A 94 -7.034 7.460 -3.058 1.00 0.00 O ATOM 1445 CB ASN A 94 -7.768 4.727 -4.657 1.00 0.00 C ATOM 1446 CG ASN A 94 -7.170 4.489 -6.029 1.00 0.00 C ATOM 1447 OD1 ASN A 94 -7.714 4.929 -7.042 1.00 0.00 O ATOM 1448 ND2 ASN A 94 -6.041 3.790 -6.069 1.00 0.00 N ATOM 0 H ASN A 94 -6.838 3.148 -3.009 1.00 0.00 H new ATOM 0 HA ASN A 94 -5.830 5.506 -4.150 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.262 3.817 -4.316 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.535 5.499 -4.727 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -5.591 3.599 -6.964 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -5.624 3.444 -5.205 1.00 0.00 H new ATOM 1455 N GLN A 95 -7.967 5.927 -1.700 1.00 0.00 N ATOM 1456 CA GLN A 95 -8.539 6.917 -0.794 1.00 0.00 C ATOM 1457 C GLN A 95 -7.447 7.586 0.036 1.00 0.00 C ATOM 1458 O GLN A 95 -7.386 8.812 0.129 1.00 0.00 O ATOM 1459 CB GLN A 95 -9.569 6.263 0.128 1.00 0.00 C ATOM 1460 CG GLN A 95 -10.967 6.207 -0.465 1.00 0.00 C ATOM 1461 CD GLN A 95 -11.866 7.310 0.057 1.00 0.00 C ATOM 1462 OE1 GLN A 95 -12.192 8.255 -0.663 1.00 0.00 O ATOM 1463 NE2 GLN A 95 -12.271 7.197 1.317 1.00 0.00 N ATOM 0 H GLN A 95 -8.160 4.959 -1.443 1.00 0.00 H new ATOM 0 HA GLN A 95 -9.035 7.680 -1.394 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -9.242 5.250 0.363 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -9.604 6.813 1.068 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -10.900 6.281 -1.550 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -11.415 5.240 -0.238 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -11.977 6.397 1.878 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -12.876 7.910 1.724 1.00 0.00 H new ATOM 1472 N VAL A 96 -6.587 6.771 0.639 1.00 0.00 N ATOM 1473 CA VAL A 96 -5.497 7.282 1.461 1.00 0.00 C ATOM 1474 C VAL A 96 -4.486 8.050 0.616 1.00 0.00 C ATOM 1475 O VAL A 96 -3.581 7.460 0.027 1.00 0.00 O ATOM 1476 CB VAL A 96 -4.771 6.144 2.202 1.00 0.00 C ATOM 1477 CG1 VAL A 96 -3.774 6.707 3.202 1.00 0.00 C ATOM 1478 CG2 VAL A 96 -5.773 5.231 2.892 1.00 0.00 C ATOM 0 H VAL A 96 -6.624 5.754 0.573 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.942 7.956 2.193 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.220 5.553 1.470 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.271 5.887 3.715 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.036 7.314 2.678 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.299 7.324 3.931 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -5.241 4.433 3.410 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.354 5.807 3.612 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.442 4.798 2.149 1.00 0.00 H new