USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 742 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 89 ASN : amide:sc= -0.417 X(o=-0.81,f=-0.76) USER MOD Set 1.2: A 94 TYR OH : rot 30:sc= -0.391 USER MOD Single : A 13 MET CE :methyl -103:sc= -1.21 (180deg=-3.04!) USER MOD Single : A 22 ASN : amide:sc= 0.336 X(o=0.34,f=-0.0077) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.46! C(o=-1.5!,f=-2.6!) USER MOD Single : A 34 ASN : amide:sc= -1.9 X(o=-1.9,f=-1.5!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc=-0.00347 K(o=-0.0035,f=-0.94) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0743 USER MOD Single : A 57 GLN : amide:sc= -0.14 K(o=-0.14,f=-2.2!) USER MOD Single : A 59 SER OG : rot 180:sc= -0.184 USER MOD Single : A 62 LYS NZ :NH3+ -132:sc= -0.919 (180deg=-1.6) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -1.42 K(o=-1.4,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 71 MET CE :methyl -125:sc= -1.61 (180deg=-7.09!) USER MOD Single : A 75 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.502) USER MOD Single : A 76 GLN : amide:sc= -3.17! C(o=-3.2!,f=-11!) USER MOD Single : A 77 LYS NZ :NH3+ -127:sc= 0.126 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -2.22! C(o=-2.2!,f=-1.6!) USER MOD Single : A 80 TYR OH : rot -68:sc= 0.187 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -1.7 K(o=-1.7,f=0.4) USER MOD Single : A 96 MET CE :methyl 156:sc= -0.0967 (180deg=-0.304) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -0.206 X(o=-0.21,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 137 N MET A 13 -15.532 14.097 4.225 1.00 0.00 N ATOM 138 CA MET A 13 -16.371 13.965 3.040 1.00 0.00 C ATOM 139 C MET A 13 -16.222 12.580 2.419 1.00 0.00 C ATOM 140 O MET A 13 -15.256 11.860 2.673 1.00 0.00 O ATOM 141 CB MET A 13 -16.011 15.039 2.011 1.00 0.00 C ATOM 142 CG MET A 13 -15.107 14.536 0.898 1.00 0.00 C ATOM 143 SD MET A 13 -13.985 15.808 0.286 1.00 0.00 S ATOM 144 CE MET A 13 -14.998 16.573 -0.978 1.00 0.00 C ATOM 0 HA MET A 13 -17.409 14.097 3.345 1.00 0.00 H new ATOM 0 HB2 MET A 13 -16.928 15.433 1.573 1.00 0.00 H new ATOM 0 HB3 MET A 13 -15.520 15.868 2.520 1.00 0.00 H new ATOM 0 HG2 MET A 13 -14.526 13.689 1.262 1.00 0.00 H new ATOM 0 HG3 MET A 13 -15.720 14.171 0.074 1.00 0.00 H new ATOM 0 HE1 MET A 13 -14.673 16.232 -1.961 1.00 0.00 H new ATOM 0 HE2 MET A 13 -16.041 16.296 -0.825 1.00 0.00 H new ATOM 0 HE3 MET A 13 -14.898 17.657 -0.918 1.00 0.00 H new ATOM 154 N PRO A 14 -17.200 12.195 1.585 1.00 0.00 N ATOM 155 CA PRO A 14 -17.199 10.894 0.910 1.00 0.00 C ATOM 156 C PRO A 14 -16.115 10.795 -0.157 1.00 0.00 C ATOM 157 O PRO A 14 -15.264 11.676 -0.273 1.00 0.00 O ATOM 158 CB PRO A 14 -18.588 10.825 0.271 1.00 0.00 C ATOM 159 CG PRO A 14 -18.991 12.247 0.087 1.00 0.00 C ATOM 160 CD PRO A 14 -18.381 13.002 1.235 1.00 0.00 C ATOM 0 HA PRO A 14 -16.992 10.077 1.601 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -18.560 10.295 -0.681 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -19.292 10.293 0.911 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -18.634 12.633 -0.868 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -20.076 12.348 0.086 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -18.104 14.016 0.947 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -19.073 13.087 2.073 1.00 0.00 H new ATOM 168 N GLU A 15 -16.153 9.717 -0.935 1.00 0.00 N ATOM 169 CA GLU A 15 -15.173 9.505 -1.994 1.00 0.00 C ATOM 170 C GLU A 15 -15.663 10.089 -3.315 1.00 0.00 C ATOM 171 O GLU A 15 -14.970 10.884 -3.949 1.00 0.00 O ATOM 172 CB GLU A 15 -14.885 8.011 -2.160 1.00 0.00 C ATOM 173 CG GLU A 15 -13.562 7.719 -2.848 1.00 0.00 C ATOM 174 CD GLU A 15 -13.442 6.274 -3.291 1.00 0.00 C ATOM 175 OE1 GLU A 15 -14.469 5.692 -3.699 1.00 0.00 O ATOM 176 OE2 GLU A 15 -12.321 5.726 -3.231 1.00 0.00 O ATOM 0 H GLU A 15 -16.851 8.978 -0.852 1.00 0.00 H new ATOM 0 HA GLU A 15 -14.253 10.017 -1.710 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.886 7.538 -1.178 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -15.692 7.556 -2.734 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.456 8.371 -3.715 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.743 7.956 -2.169 1.00 0.00 H new ATOM 183 N GLU A 16 -16.863 9.689 -3.724 1.00 0.00 N ATOM 184 CA GLU A 16 -17.446 10.172 -4.970 1.00 0.00 C ATOM 185 C GLU A 16 -17.032 11.616 -5.240 1.00 0.00 C ATOM 186 O GLU A 16 -16.369 11.905 -6.235 1.00 0.00 O ATOM 187 CB GLU A 16 -18.972 10.068 -4.920 1.00 0.00 C ATOM 188 CG GLU A 16 -19.493 8.658 -5.138 1.00 0.00 C ATOM 189 CD GLU A 16 -20.861 8.636 -5.792 1.00 0.00 C ATOM 190 OE1 GLU A 16 -20.986 9.152 -6.923 1.00 0.00 O ATOM 191 OE2 GLU A 16 -21.807 8.105 -5.173 1.00 0.00 O ATOM 0 H GLU A 16 -17.450 9.032 -3.211 1.00 0.00 H new ATOM 0 HA GLU A 16 -17.073 9.547 -5.782 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.321 10.430 -3.953 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -19.398 10.725 -5.679 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.788 8.106 -5.760 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.544 8.141 -4.180 1.00 0.00 H new ATOM 198 N GLU A 17 -17.429 12.516 -4.347 1.00 0.00 N ATOM 199 CA GLU A 17 -17.101 13.930 -4.490 1.00 0.00 C ATOM 200 C GLU A 17 -15.592 14.148 -4.414 1.00 0.00 C ATOM 201 O GLU A 17 -14.984 14.683 -5.342 1.00 0.00 O ATOM 202 CB GLU A 17 -17.801 14.751 -3.405 1.00 0.00 C ATOM 203 CG GLU A 17 -19.276 14.988 -3.679 1.00 0.00 C ATOM 204 CD GLU A 17 -20.050 13.698 -3.866 1.00 0.00 C ATOM 205 OE1 GLU A 17 -19.948 13.098 -4.957 1.00 0.00 O ATOM 206 OE2 GLU A 17 -20.758 13.287 -2.923 1.00 0.00 O ATOM 0 H GLU A 17 -17.978 12.292 -3.517 1.00 0.00 H new ATOM 0 HA GLU A 17 -17.450 14.261 -5.468 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -17.695 14.239 -2.449 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -17.299 15.714 -3.308 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.709 15.550 -2.852 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -19.381 15.603 -4.573 1.00 0.00 H new ATOM 213 N PHE A 18 -14.995 13.731 -3.303 1.00 0.00 N ATOM 214 CA PHE A 18 -13.558 13.881 -3.105 1.00 0.00 C ATOM 215 C PHE A 18 -12.805 13.700 -4.420 1.00 0.00 C ATOM 216 O PHE A 18 -12.086 14.595 -4.866 1.00 0.00 O ATOM 217 CB PHE A 18 -13.056 12.870 -2.072 1.00 0.00 C ATOM 218 CG PHE A 18 -11.595 13.016 -1.752 1.00 0.00 C ATOM 219 CD1 PHE A 18 -11.122 14.151 -1.114 1.00 0.00 C ATOM 220 CD2 PHE A 18 -10.696 12.017 -2.089 1.00 0.00 C ATOM 221 CE1 PHE A 18 -9.779 14.288 -0.819 1.00 0.00 C ATOM 222 CE2 PHE A 18 -9.351 12.148 -1.797 1.00 0.00 C ATOM 223 CZ PHE A 18 -8.892 13.284 -1.160 1.00 0.00 C ATOM 0 H PHE A 18 -15.484 13.287 -2.526 1.00 0.00 H new ATOM 0 HA PHE A 18 -13.371 14.890 -2.737 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -13.634 12.982 -1.155 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -13.240 11.862 -2.443 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -11.811 14.938 -0.844 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -11.050 11.126 -2.586 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -9.423 15.178 -0.323 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.660 11.363 -2.067 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.842 13.388 -0.929 1.00 0.00 H new ATOM 233 N LEU A 19 -12.976 12.535 -5.035 1.00 0.00 N ATOM 234 CA LEU A 19 -12.313 12.234 -6.299 1.00 0.00 C ATOM 235 C LEU A 19 -12.480 13.382 -7.289 1.00 0.00 C ATOM 236 O LEU A 19 -11.552 13.723 -8.023 1.00 0.00 O ATOM 237 CB LEU A 19 -12.875 10.943 -6.898 1.00 0.00 C ATOM 238 CG LEU A 19 -12.783 9.698 -6.015 1.00 0.00 C ATOM 239 CD1 LEU A 19 -13.432 8.507 -6.703 1.00 0.00 C ATOM 240 CD2 LEU A 19 -11.332 9.393 -5.673 1.00 0.00 C ATOM 0 H LEU A 19 -13.568 11.784 -4.679 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.249 12.102 -6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.922 11.109 -7.150 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.351 10.741 -7.832 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.321 9.893 -5.087 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -13.357 7.630 -6.060 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.482 8.726 -6.897 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.923 8.310 -7.646 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.286 8.504 -5.044 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.771 9.218 -6.591 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.899 10.238 -5.139 1.00 0.00 H new ATOM 252 N ARG A 20 -13.669 13.976 -7.303 1.00 0.00 N ATOM 253 CA ARG A 20 -13.957 15.087 -8.202 1.00 0.00 C ATOM 254 C ARG A 20 -13.056 16.280 -7.899 1.00 0.00 C ATOM 255 O ARG A 20 -12.743 17.075 -8.785 1.00 0.00 O ATOM 256 CB ARG A 20 -15.426 15.499 -8.082 1.00 0.00 C ATOM 257 CG ARG A 20 -16.400 14.355 -8.307 1.00 0.00 C ATOM 258 CD ARG A 20 -17.741 14.857 -8.819 1.00 0.00 C ATOM 259 NE ARG A 20 -17.607 15.593 -10.073 1.00 0.00 N ATOM 260 CZ ARG A 20 -18.633 15.895 -10.861 1.00 0.00 C ATOM 261 NH1 ARG A 20 -19.862 15.527 -10.525 1.00 0.00 N ATOM 262 NH2 ARG A 20 -18.431 16.568 -11.987 1.00 0.00 N ATOM 0 H ARG A 20 -14.448 13.706 -6.702 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.761 14.757 -9.222 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -15.596 15.920 -7.091 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -15.633 16.289 -8.804 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.976 13.651 -9.023 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -16.546 13.811 -7.374 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -18.413 14.011 -8.965 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -18.198 15.501 -8.068 1.00 0.00 H new ATOM 0 HE ARG A 20 -16.675 15.892 -10.360 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -20.021 15.011 -9.660 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -20.648 15.760 -11.132 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -17.487 16.854 -12.248 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -19.219 16.799 -12.591 1.00 0.00 H new ATOM 276 N ARG A 21 -12.643 16.398 -6.641 1.00 0.00 N ATOM 277 CA ARG A 21 -11.780 17.495 -6.220 1.00 0.00 C ATOM 278 C ARG A 21 -10.312 17.082 -6.272 1.00 0.00 C ATOM 279 O ARG A 21 -9.520 17.658 -7.017 1.00 0.00 O ATOM 280 CB ARG A 21 -12.144 17.945 -4.804 1.00 0.00 C ATOM 281 CG ARG A 21 -13.282 18.952 -4.760 1.00 0.00 C ATOM 282 CD ARG A 21 -13.795 19.150 -3.342 1.00 0.00 C ATOM 283 NE ARG A 21 -14.982 20.000 -3.303 1.00 0.00 N ATOM 284 CZ ARG A 21 -14.949 21.317 -3.472 1.00 0.00 C ATOM 285 NH1 ARG A 21 -13.795 21.932 -3.690 1.00 0.00 N ATOM 286 NH2 ARG A 21 -16.072 22.022 -3.423 1.00 0.00 N ATOM 0 H ARG A 21 -12.892 15.747 -5.896 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.931 18.327 -6.908 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -12.420 17.071 -4.214 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -11.264 18.383 -4.333 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -12.941 19.906 -5.161 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -14.097 18.610 -5.399 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -14.029 18.180 -2.902 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.010 19.596 -2.731 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.886 19.558 -3.137 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.929 21.394 -3.728 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.773 22.944 -3.819 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -16.962 21.553 -3.255 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -16.045 23.033 -3.553 1.00 0.00 H new ATOM 300 N ASN A 22 -9.956 16.080 -5.474 1.00 0.00 N ATOM 301 CA ASN A 22 -8.583 15.590 -5.428 1.00 0.00 C ATOM 302 C ASN A 22 -8.509 14.135 -5.882 1.00 0.00 C ATOM 303 O ASN A 22 -8.691 13.214 -5.085 1.00 0.00 O ATOM 304 CB ASN A 22 -8.019 15.724 -4.012 1.00 0.00 C ATOM 305 CG ASN A 22 -8.508 16.976 -3.311 1.00 0.00 C ATOM 306 OD1 ASN A 22 -7.895 18.038 -3.414 1.00 0.00 O ATOM 307 ND2 ASN A 22 -9.619 16.856 -2.593 1.00 0.00 N ATOM 0 H ASN A 22 -10.599 15.592 -4.851 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.984 16.195 -6.109 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.302 14.849 -3.427 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.930 15.738 -4.057 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.997 17.664 -2.099 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.094 15.955 -2.536 1.00 0.00 H new ATOM 314 N LYS A 23 -8.240 13.935 -7.167 1.00 0.00 N ATOM 315 CA LYS A 23 -8.139 12.593 -7.729 1.00 0.00 C ATOM 316 C LYS A 23 -6.701 12.088 -7.676 1.00 0.00 C ATOM 317 O LYS A 23 -6.458 10.898 -7.478 1.00 0.00 O ATOM 318 CB LYS A 23 -8.642 12.584 -9.174 1.00 0.00 C ATOM 319 CG LYS A 23 -8.519 11.230 -9.852 1.00 0.00 C ATOM 320 CD LYS A 23 -8.586 11.356 -11.365 1.00 0.00 C ATOM 321 CE LYS A 23 -7.221 11.671 -11.959 1.00 0.00 C ATOM 322 NZ LYS A 23 -7.300 11.927 -13.424 1.00 0.00 N ATOM 0 H LYS A 23 -8.088 14.686 -7.840 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.761 11.927 -7.131 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.687 12.895 -9.188 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.082 13.321 -9.749 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.576 10.763 -9.566 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.318 10.574 -9.505 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.964 10.427 -11.792 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.292 12.142 -11.635 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.800 12.544 -11.460 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.542 10.839 -11.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.350 12.138 -13.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.678 11.085 -13.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.927 12.737 -13.601 1.00 0.00 H new ATOM 336 N GLY A 24 -5.751 13.001 -7.854 1.00 0.00 N ATOM 337 CA GLY A 24 -4.349 12.628 -7.822 1.00 0.00 C ATOM 338 C GLY A 24 -3.608 13.049 -9.076 1.00 0.00 C ATOM 339 O GLY A 24 -4.054 13.920 -9.823 1.00 0.00 O ATOM 0 H GLY A 24 -5.927 13.992 -8.020 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.875 13.084 -6.953 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.266 11.548 -7.700 1.00 0.00 H new ATOM 343 N PRO A 25 -2.446 12.424 -9.319 1.00 0.00 N ATOM 344 CA PRO A 25 -1.905 11.387 -8.437 1.00 0.00 C ATOM 345 C PRO A 25 -1.434 11.951 -7.100 1.00 0.00 C ATOM 346 O PRO A 25 -1.552 13.149 -6.844 1.00 0.00 O ATOM 347 CB PRO A 25 -0.720 10.829 -9.229 1.00 0.00 C ATOM 348 CG PRO A 25 -0.309 11.942 -10.130 1.00 0.00 C ATOM 349 CD PRO A 25 -1.572 12.683 -10.476 1.00 0.00 C ATOM 0 HA PRO A 25 -2.655 10.638 -8.182 1.00 0.00 H new ATOM 0 HB2 PRO A 25 0.094 10.534 -8.568 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.005 9.944 -9.798 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.407 12.600 -9.636 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.177 11.559 -11.027 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.389 13.749 -10.611 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.013 12.316 -11.403 1.00 0.00 H new ATOM 357 N VAL A 26 -0.898 11.079 -6.251 1.00 0.00 N ATOM 358 CA VAL A 26 -0.408 11.491 -4.941 1.00 0.00 C ATOM 359 C VAL A 26 0.865 10.738 -4.570 1.00 0.00 C ATOM 360 O VAL A 26 0.889 9.507 -4.560 1.00 0.00 O ATOM 361 CB VAL A 26 -1.467 11.259 -3.847 1.00 0.00 C ATOM 362 CG1 VAL A 26 -2.675 12.154 -4.075 1.00 0.00 C ATOM 363 CG2 VAL A 26 -1.877 9.795 -3.805 1.00 0.00 C ATOM 0 H VAL A 26 -0.792 10.084 -6.447 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.191 12.557 -5.004 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.031 11.518 -2.882 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.413 11.976 -3.292 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.364 13.198 -4.050 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.116 11.930 -5.046 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.626 9.649 -3.026 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.295 9.506 -4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.004 9.179 -3.589 1.00 0.00 H new ATOM 373 N SER A 27 1.920 11.485 -4.264 1.00 0.00 N ATOM 374 CA SER A 27 3.198 10.888 -3.894 1.00 0.00 C ATOM 375 C SER A 27 3.333 10.788 -2.378 1.00 0.00 C ATOM 376 O SER A 27 3.513 11.795 -1.692 1.00 0.00 O ATOM 377 CB SER A 27 4.354 11.711 -4.467 1.00 0.00 C ATOM 378 OG SER A 27 5.559 11.455 -3.766 1.00 0.00 O ATOM 0 H SER A 27 1.916 12.505 -4.265 1.00 0.00 H new ATOM 0 HA SER A 27 3.235 9.882 -4.311 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.486 11.473 -5.522 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.113 12.772 -4.407 1.00 0.00 H new ATOM 0 HG SER A 27 6.282 11.992 -4.152 1.00 0.00 H new ATOM 384 N ILE A 28 3.245 9.567 -1.862 1.00 0.00 N ATOM 385 CA ILE A 28 3.357 9.334 -0.428 1.00 0.00 C ATOM 386 C ILE A 28 4.730 8.777 -0.067 1.00 0.00 C ATOM 387 O ILE A 28 5.317 8.003 -0.824 1.00 0.00 O ATOM 388 CB ILE A 28 2.273 8.360 0.072 1.00 0.00 C ATOM 389 CG1 ILE A 28 2.451 6.988 -0.581 1.00 0.00 C ATOM 390 CG2 ILE A 28 0.887 8.916 -0.219 1.00 0.00 C ATOM 391 CD1 ILE A 28 1.711 5.879 0.135 1.00 0.00 C ATOM 0 H ILE A 28 3.096 8.724 -2.416 1.00 0.00 H new ATOM 0 HA ILE A 28 3.219 10.299 0.059 1.00 0.00 H new ATOM 0 HB ILE A 28 2.377 8.245 1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.105 7.038 -1.613 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.513 6.744 -0.613 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.132 8.217 0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.765 9.873 0.288 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.770 9.057 -1.293 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.882 4.935 -0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.074 5.802 1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.644 6.100 0.144 1.00 0.00 H new ATOM 403 N LYS A 29 5.238 9.175 1.095 1.00 0.00 N ATOM 404 CA LYS A 29 6.540 8.714 1.559 1.00 0.00 C ATOM 405 C LYS A 29 6.390 7.746 2.729 1.00 0.00 C ATOM 406 O LYS A 29 5.812 8.089 3.760 1.00 0.00 O ATOM 407 CB LYS A 29 7.407 9.904 1.976 1.00 0.00 C ATOM 408 CG LYS A 29 8.896 9.662 1.806 1.00 0.00 C ATOM 409 CD LYS A 29 9.718 10.764 2.454 1.00 0.00 C ATOM 410 CE LYS A 29 9.907 11.944 1.514 1.00 0.00 C ATOM 411 NZ LYS A 29 11.109 11.779 0.650 1.00 0.00 N ATOM 0 H LYS A 29 4.767 9.817 1.733 1.00 0.00 H new ATOM 0 HA LYS A 29 7.026 8.189 0.736 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.120 10.776 1.388 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.203 10.143 3.020 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.162 8.701 2.247 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.137 9.603 0.745 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.224 11.099 3.366 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.692 10.370 2.745 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.022 12.054 0.887 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.002 12.861 2.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.202 12.604 0.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.957 11.699 1.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.008 10.918 0.075 1.00 0.00 H new ATOM 425 N VAL A 30 6.915 6.536 2.561 1.00 0.00 N ATOM 426 CA VAL A 30 6.842 5.520 3.604 1.00 0.00 C ATOM 427 C VAL A 30 8.036 5.612 4.547 1.00 0.00 C ATOM 428 O VAL A 30 9.157 5.261 4.180 1.00 0.00 O ATOM 429 CB VAL A 30 6.784 4.103 3.004 1.00 0.00 C ATOM 430 CG1 VAL A 30 6.835 3.054 4.104 1.00 0.00 C ATOM 431 CG2 VAL A 30 5.533 3.935 2.155 1.00 0.00 C ATOM 0 H VAL A 30 7.395 6.236 1.713 1.00 0.00 H new ATOM 0 HA VAL A 30 5.926 5.708 4.164 1.00 0.00 H new ATOM 0 HB VAL A 30 7.654 3.964 2.362 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.793 2.059 3.660 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.762 3.161 4.667 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.986 3.188 4.775 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.508 2.928 1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.650 4.094 2.773 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.544 4.663 1.344 1.00 0.00 H new ATOM 441 N GLN A 31 7.788 6.087 5.763 1.00 0.00 N ATOM 442 CA GLN A 31 8.844 6.226 6.759 1.00 0.00 C ATOM 443 C GLN A 31 9.188 4.876 7.379 1.00 0.00 C ATOM 444 O GLN A 31 8.536 4.430 8.323 1.00 0.00 O ATOM 445 CB GLN A 31 8.419 7.208 7.851 1.00 0.00 C ATOM 446 CG GLN A 31 9.588 7.864 8.568 1.00 0.00 C ATOM 447 CD GLN A 31 10.694 6.882 8.900 1.00 0.00 C ATOM 448 OE1 GLN A 31 11.555 6.596 8.068 1.00 0.00 O ATOM 449 NE2 GLN A 31 10.677 6.361 10.121 1.00 0.00 N ATOM 0 H GLN A 31 6.865 6.382 6.082 1.00 0.00 H new ATOM 0 HA GLN A 31 9.732 6.613 6.258 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.794 7.983 7.408 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.804 6.682 8.582 1.00 0.00 H new ATOM 0 HG2 GLN A 31 9.991 8.662 7.944 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.231 8.328 9.487 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.944 6.627 10.779 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.397 5.695 10.401 1.00 0.00 H new ATOM 458 N VAL A 32 10.218 4.228 6.842 1.00 0.00 N ATOM 459 CA VAL A 32 10.649 2.929 7.343 1.00 0.00 C ATOM 460 C VAL A 32 11.561 3.082 8.555 1.00 0.00 C ATOM 461 O VAL A 32 12.642 3.667 8.480 1.00 0.00 O ATOM 462 CB VAL A 32 11.389 2.126 6.256 1.00 0.00 C ATOM 463 CG1 VAL A 32 11.720 0.728 6.757 1.00 0.00 C ATOM 464 CG2 VAL A 32 10.559 2.062 4.983 1.00 0.00 C ATOM 0 H VAL A 32 10.769 4.582 6.060 1.00 0.00 H new ATOM 0 HA VAL A 32 9.749 2.388 7.635 1.00 0.00 H new ATOM 0 HB VAL A 32 12.325 2.635 6.027 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.242 0.176 5.976 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.357 0.799 7.639 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.798 0.207 7.016 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.097 1.491 4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.606 1.577 5.194 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.378 3.072 4.615 1.00 0.00 H new ATOM 474 N PRO A 33 11.117 2.545 9.701 1.00 0.00 N ATOM 475 CA PRO A 33 11.879 2.609 10.952 1.00 0.00 C ATOM 476 C PRO A 33 13.130 1.738 10.914 1.00 0.00 C ATOM 477 O PRO A 33 13.337 0.974 9.972 1.00 0.00 O ATOM 478 CB PRO A 33 10.891 2.081 11.996 1.00 0.00 C ATOM 479 CG PRO A 33 9.957 1.211 11.227 1.00 0.00 C ATOM 480 CD PRO A 33 9.838 1.834 9.864 1.00 0.00 C ATOM 0 HA PRO A 33 12.241 3.616 11.158 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.403 1.519 12.777 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.359 2.897 12.486 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.339 0.193 11.158 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.985 1.154 11.716 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.695 1.081 9.089 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.989 2.515 9.806 1.00 0.00 H new ATOM 488 N ASN A 34 13.960 1.858 11.945 1.00 0.00 N ATOM 489 CA ASN A 34 15.192 1.080 12.029 1.00 0.00 C ATOM 490 C ASN A 34 15.074 -0.012 13.087 1.00 0.00 C ATOM 491 O ASN A 34 15.295 0.232 14.272 1.00 0.00 O ATOM 492 CB ASN A 34 16.375 1.995 12.353 1.00 0.00 C ATOM 493 CG ASN A 34 17.630 1.216 12.696 1.00 0.00 C ATOM 494 OD1 ASN A 34 17.655 0.451 13.660 1.00 0.00 O ATOM 495 ND2 ASN A 34 18.680 1.408 11.905 1.00 0.00 N ATOM 0 H ASN A 34 13.803 2.486 12.733 1.00 0.00 H new ATOM 0 HA ASN A 34 15.361 0.607 11.062 1.00 0.00 H new ATOM 0 HB2 ASN A 34 16.574 2.643 11.499 1.00 0.00 H new ATOM 0 HB3 ASN A 34 16.112 2.642 13.190 1.00 0.00 H new ATOM 0 HD21 ASN A 34 19.552 0.911 12.086 1.00 0.00 H new ATOM 0 HD22 ASN A 34 18.614 2.052 11.117 1.00 0.00 H new ATOM 502 N MET A 35 14.726 -1.218 12.648 1.00 0.00 N ATOM 503 CA MET A 35 14.581 -2.349 13.558 1.00 0.00 C ATOM 504 C MET A 35 15.945 -2.872 13.996 1.00 0.00 C ATOM 505 O MET A 35 16.558 -3.685 13.305 1.00 0.00 O ATOM 506 CB MET A 35 13.782 -3.469 12.889 1.00 0.00 C ATOM 507 CG MET A 35 12.283 -3.369 13.121 1.00 0.00 C ATOM 508 SD MET A 35 11.843 -3.454 14.867 1.00 0.00 S ATOM 509 CE MET A 35 10.779 -2.021 15.018 1.00 0.00 C ATOM 0 H MET A 35 14.540 -1.437 11.669 1.00 0.00 H new ATOM 0 HA MET A 35 14.043 -2.007 14.442 1.00 0.00 H new ATOM 0 HB2 MET A 35 13.977 -3.453 11.817 1.00 0.00 H new ATOM 0 HB3 MET A 35 14.136 -4.430 13.263 1.00 0.00 H new ATOM 0 HG2 MET A 35 11.916 -2.431 12.703 1.00 0.00 H new ATOM 0 HG3 MET A 35 11.782 -4.175 12.584 1.00 0.00 H new ATOM 0 HE1 MET A 35 10.425 -1.937 16.045 1.00 0.00 H new ATOM 0 HE2 MET A 35 11.338 -1.123 14.753 1.00 0.00 H new ATOM 0 HE3 MET A 35 9.926 -2.129 14.348 1.00 0.00 H new ATOM 584 N GLU A 40 14.302 -10.182 10.071 1.00 0.00 N ATOM 585 CA GLU A 40 14.418 -10.525 8.658 1.00 0.00 C ATOM 586 C GLU A 40 13.681 -9.509 7.790 1.00 0.00 C ATOM 587 O GLU A 40 13.129 -9.854 6.745 1.00 0.00 O ATOM 588 CB GLU A 40 13.863 -11.927 8.403 1.00 0.00 C ATOM 589 CG GLU A 40 12.394 -12.075 8.762 1.00 0.00 C ATOM 590 CD GLU A 40 11.755 -13.291 8.119 1.00 0.00 C ATOM 591 OE1 GLU A 40 11.289 -13.178 6.967 1.00 0.00 O ATOM 592 OE2 GLU A 40 11.722 -14.357 8.770 1.00 0.00 O ATOM 0 HA GLU A 40 15.475 -10.507 8.392 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.998 -12.176 7.350 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.443 -12.648 8.978 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.294 -12.147 9.845 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.856 -11.179 8.451 1.00 0.00 H new ATOM 599 N TRP A 41 13.677 -8.256 8.230 1.00 0.00 N ATOM 600 CA TRP A 41 13.007 -7.189 7.494 1.00 0.00 C ATOM 601 C TRP A 41 13.983 -6.069 7.152 1.00 0.00 C ATOM 602 O TRP A 41 14.729 -5.597 8.011 1.00 0.00 O ATOM 603 CB TRP A 41 11.839 -6.634 8.311 1.00 0.00 C ATOM 604 CG TRP A 41 10.831 -7.676 8.690 1.00 0.00 C ATOM 605 CD1 TRP A 41 10.570 -8.843 8.030 1.00 0.00 C ATOM 606 CD2 TRP A 41 9.947 -7.643 9.816 1.00 0.00 C ATOM 607 NE1 TRP A 41 9.578 -9.538 8.678 1.00 0.00 N ATOM 608 CE2 TRP A 41 9.179 -8.824 9.777 1.00 0.00 C ATOM 609 CE3 TRP A 41 9.730 -6.733 10.854 1.00 0.00 C ATOM 610 CZ2 TRP A 41 8.212 -9.114 10.736 1.00 0.00 C ATOM 611 CZ3 TRP A 41 8.770 -7.023 11.805 1.00 0.00 C ATOM 612 CH2 TRP A 41 8.021 -8.206 11.741 1.00 0.00 C ATOM 0 H TRP A 41 14.130 -7.953 9.092 1.00 0.00 H new ATOM 0 HA TRP A 41 12.623 -7.608 6.564 1.00 0.00 H new ATOM 0 HB2 TRP A 41 12.227 -6.168 9.217 1.00 0.00 H new ATOM 0 HB3 TRP A 41 11.343 -5.851 7.737 1.00 0.00 H new ATOM 0 HD1 TRP A 41 11.070 -9.171 7.131 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.200 -10.440 8.388 1.00 0.00 H new ATOM 0 HE3 TRP A 41 10.302 -5.819 10.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.633 -10.024 10.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 8.594 -6.326 12.611 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.279 -8.404 12.500 1.00 0.00 H new ATOM 623 N LYS A 42 13.972 -5.645 5.893 1.00 0.00 N ATOM 624 CA LYS A 42 14.855 -4.579 5.436 1.00 0.00 C ATOM 625 C LYS A 42 14.440 -3.237 6.031 1.00 0.00 C ATOM 626 O LYS A 42 13.896 -2.379 5.334 1.00 0.00 O ATOM 627 CB LYS A 42 14.843 -4.497 3.908 1.00 0.00 C ATOM 628 CG LYS A 42 15.614 -5.618 3.233 1.00 0.00 C ATOM 629 CD LYS A 42 16.151 -5.188 1.878 1.00 0.00 C ATOM 630 CE LYS A 42 17.300 -4.202 2.021 1.00 0.00 C ATOM 631 NZ LYS A 42 18.063 -4.053 0.751 1.00 0.00 N ATOM 0 H LYS A 42 13.360 -6.024 5.170 1.00 0.00 H new ATOM 0 HA LYS A 42 15.866 -4.810 5.773 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.810 -4.516 3.560 1.00 0.00 H new ATOM 0 HB3 LYS A 42 15.265 -3.540 3.600 1.00 0.00 H new ATOM 0 HG2 LYS A 42 16.441 -5.928 3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 42 14.965 -6.485 3.110 1.00 0.00 H new ATOM 0 HD2 LYS A 42 16.489 -6.064 1.325 1.00 0.00 H new ATOM 0 HD3 LYS A 42 15.350 -4.733 1.296 1.00 0.00 H new ATOM 0 HE2 LYS A 42 16.910 -3.231 2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 42 17.971 -4.539 2.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 18.838 -3.373 0.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 18.457 -4.974 0.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 17.428 -3.708 0.003 1.00 0.00 H new ATOM 645 N LEU A 43 14.700 -3.061 7.322 1.00 0.00 N ATOM 646 CA LEU A 43 14.355 -1.822 8.010 1.00 0.00 C ATOM 647 C LEU A 43 15.592 -1.180 8.629 1.00 0.00 C ATOM 648 O LEU A 43 16.042 -1.583 9.701 1.00 0.00 O ATOM 649 CB LEU A 43 13.310 -2.092 9.094 1.00 0.00 C ATOM 650 CG LEU A 43 12.070 -2.870 8.652 1.00 0.00 C ATOM 651 CD1 LEU A 43 11.311 -3.396 9.860 1.00 0.00 C ATOM 652 CD2 LEU A 43 11.169 -1.995 7.793 1.00 0.00 C ATOM 0 H LEU A 43 15.149 -3.761 7.913 1.00 0.00 H new ATOM 0 HA LEU A 43 13.939 -1.132 7.276 1.00 0.00 H new ATOM 0 HB2 LEU A 43 13.790 -2.642 9.904 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.987 -1.136 9.505 1.00 0.00 H new ATOM 0 HG LEU A 43 12.394 -3.721 8.053 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.432 -3.947 9.526 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.957 -4.059 10.436 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.999 -2.560 10.486 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.292 -2.565 7.488 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.854 -1.124 8.367 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.715 -1.668 6.908 1.00 0.00 H new ATOM 664 N ASN A 44 16.136 -0.177 7.947 1.00 0.00 N ATOM 665 CA ASN A 44 17.320 0.523 8.432 1.00 0.00 C ATOM 666 C ASN A 44 17.143 2.034 8.320 1.00 0.00 C ATOM 667 O ASN A 44 17.840 2.697 7.553 1.00 0.00 O ATOM 668 CB ASN A 44 18.556 0.084 7.643 1.00 0.00 C ATOM 669 CG ASN A 44 18.978 -1.335 7.972 1.00 0.00 C ATOM 670 OD1 ASN A 44 18.856 -1.782 9.113 1.00 0.00 O ATOM 671 ND2 ASN A 44 19.478 -2.051 6.972 1.00 0.00 N ATOM 0 H ASN A 44 15.776 0.169 7.058 1.00 0.00 H new ATOM 0 HA ASN A 44 17.457 0.268 9.483 1.00 0.00 H new ATOM 0 HB2 ASN A 44 18.348 0.160 6.576 1.00 0.00 H new ATOM 0 HB3 ASN A 44 19.381 0.764 7.857 1.00 0.00 H new ATOM 0 HD21 ASN A 44 19.779 -3.012 7.134 1.00 0.00 H new ATOM 0 HD22 ASN A 44 19.561 -1.640 6.042 1.00 0.00 H new ATOM 678 N GLY A 45 16.205 2.573 9.093 1.00 0.00 N ATOM 679 CA GLY A 45 15.953 4.002 9.067 1.00 0.00 C ATOM 680 C GLY A 45 16.091 4.590 7.677 1.00 0.00 C ATOM 681 O GLY A 45 17.157 5.082 7.308 1.00 0.00 O ATOM 0 H GLY A 45 15.615 2.046 9.737 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.949 4.198 9.443 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.648 4.503 9.741 1.00 0.00 H new ATOM 685 N GLN A 46 15.011 4.537 6.904 1.00 0.00 N ATOM 686 CA GLN A 46 15.018 5.066 5.545 1.00 0.00 C ATOM 687 C GLN A 46 13.610 5.450 5.103 1.00 0.00 C ATOM 688 O GLN A 46 12.657 5.349 5.875 1.00 0.00 O ATOM 689 CB GLN A 46 15.607 4.038 4.578 1.00 0.00 C ATOM 690 CG GLN A 46 14.803 2.751 4.495 1.00 0.00 C ATOM 691 CD GLN A 46 15.221 1.876 3.329 1.00 0.00 C ATOM 692 OE1 GLN A 46 16.078 2.254 2.530 1.00 0.00 O ATOM 693 NE2 GLN A 46 14.615 0.698 3.226 1.00 0.00 N ATOM 0 H GLN A 46 14.121 4.133 7.195 1.00 0.00 H new ATOM 0 HA GLN A 46 15.639 5.962 5.534 1.00 0.00 H new ATOM 0 HB2 GLN A 46 15.671 4.481 3.584 1.00 0.00 H new ATOM 0 HB3 GLN A 46 16.625 3.801 4.888 1.00 0.00 H new ATOM 0 HG2 GLN A 46 14.921 2.193 5.424 1.00 0.00 H new ATOM 0 HG3 GLN A 46 13.745 2.994 4.401 1.00 0.00 H new ATOM 0 HE21 GLN A 46 13.910 0.425 3.911 1.00 0.00 H new ATOM 0 HE22 GLN A 46 14.855 0.066 2.462 1.00 0.00 H new ATOM 702 N GLY A 47 13.486 5.890 3.855 1.00 0.00 N ATOM 703 CA GLY A 47 12.190 6.283 3.332 1.00 0.00 C ATOM 704 C GLY A 47 11.957 5.779 1.921 1.00 0.00 C ATOM 705 O GLY A 47 12.845 5.861 1.071 1.00 0.00 O ATOM 0 H GLY A 47 14.260 5.982 3.196 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.406 5.900 3.986 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.111 7.370 3.344 1.00 0.00 H new ATOM 709 N LEU A 48 10.762 5.256 1.671 1.00 0.00 N ATOM 710 CA LEU A 48 10.416 4.735 0.354 1.00 0.00 C ATOM 711 C LEU A 48 9.287 5.547 -0.273 1.00 0.00 C ATOM 712 O LEU A 48 8.190 5.634 0.277 1.00 0.00 O ATOM 713 CB LEU A 48 10.005 3.265 0.457 1.00 0.00 C ATOM 714 CG LEU A 48 10.988 2.342 1.178 1.00 0.00 C ATOM 715 CD1 LEU A 48 10.412 0.940 1.301 1.00 0.00 C ATOM 716 CD2 LEU A 48 12.323 2.310 0.449 1.00 0.00 C ATOM 0 H LEU A 48 10.016 5.182 2.363 1.00 0.00 H new ATOM 0 HA LEU A 48 11.296 4.816 -0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.045 3.212 0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.849 2.881 -0.551 1.00 0.00 H new ATOM 0 HG LEU A 48 11.154 2.734 2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.126 0.297 1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.482 0.977 1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.215 0.539 0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.010 1.648 0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.174 1.944 -0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.743 3.315 0.414 1.00 0.00 H new ATOM 728 N VAL A 49 9.564 6.140 -1.431 1.00 0.00 N ATOM 729 CA VAL A 49 8.572 6.943 -2.135 1.00 0.00 C ATOM 730 C VAL A 49 7.756 6.088 -3.098 1.00 0.00 C ATOM 731 O VAL A 49 8.295 5.216 -3.780 1.00 0.00 O ATOM 732 CB VAL A 49 9.233 8.091 -2.920 1.00 0.00 C ATOM 733 CG1 VAL A 49 8.181 8.929 -3.630 1.00 0.00 C ATOM 734 CG2 VAL A 49 10.077 8.953 -1.993 1.00 0.00 C ATOM 0 H VAL A 49 10.467 6.079 -1.901 1.00 0.00 H new ATOM 0 HA VAL A 49 7.911 7.364 -1.378 1.00 0.00 H new ATOM 0 HB VAL A 49 9.889 7.660 -3.676 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.668 9.735 -4.179 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.624 8.301 -4.325 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.496 9.352 -2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.537 9.759 -2.564 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.444 9.376 -1.213 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.856 8.342 -1.537 1.00 0.00 H new ATOM 744 N PHE A 50 6.453 6.343 -3.148 1.00 0.00 N ATOM 745 CA PHE A 50 5.561 5.596 -4.028 1.00 0.00 C ATOM 746 C PHE A 50 4.573 6.530 -4.721 1.00 0.00 C ATOM 747 O PHE A 50 3.733 7.156 -4.073 1.00 0.00 O ATOM 748 CB PHE A 50 4.802 4.531 -3.234 1.00 0.00 C ATOM 749 CG PHE A 50 5.700 3.531 -2.562 1.00 0.00 C ATOM 750 CD1 PHE A 50 6.641 2.824 -3.294 1.00 0.00 C ATOM 751 CD2 PHE A 50 5.602 3.298 -1.200 1.00 0.00 C ATOM 752 CE1 PHE A 50 7.469 1.903 -2.679 1.00 0.00 C ATOM 753 CE2 PHE A 50 6.428 2.379 -0.580 1.00 0.00 C ATOM 754 CZ PHE A 50 7.361 1.680 -1.320 1.00 0.00 C ATOM 0 H PHE A 50 5.991 7.061 -2.590 1.00 0.00 H new ATOM 0 HA PHE A 50 6.168 5.108 -4.790 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.188 5.021 -2.479 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.123 4.005 -3.905 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.729 2.994 -4.357 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.873 3.840 -0.616 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.199 1.359 -3.260 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.344 2.208 0.483 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.005 0.960 -0.837 1.00 0.00 H new ATOM 764 N THR A 51 4.679 6.619 -6.043 1.00 0.00 N ATOM 765 CA THR A 51 3.798 7.476 -6.825 1.00 0.00 C ATOM 766 C THR A 51 2.604 6.694 -7.361 1.00 0.00 C ATOM 767 O THR A 51 2.740 5.889 -8.283 1.00 0.00 O ATOM 768 CB THR A 51 4.546 8.124 -8.005 1.00 0.00 C ATOM 769 OG1 THR A 51 5.803 8.646 -7.561 1.00 0.00 O ATOM 770 CG2 THR A 51 3.717 9.240 -8.624 1.00 0.00 C ATOM 0 H THR A 51 5.367 6.107 -6.595 1.00 0.00 H new ATOM 0 HA THR A 51 3.444 8.260 -6.156 1.00 0.00 H new ATOM 0 HB THR A 51 4.718 7.359 -8.762 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.273 9.055 -8.318 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.266 9.683 -9.455 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.773 8.833 -8.988 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.517 10.004 -7.873 1.00 0.00 H new ATOM 778 N LEU A 52 1.434 6.936 -6.780 1.00 0.00 N ATOM 779 CA LEU A 52 0.215 6.255 -7.201 1.00 0.00 C ATOM 780 C LEU A 52 -1.019 7.082 -6.853 1.00 0.00 C ATOM 781 O LEU A 52 -1.104 7.699 -5.791 1.00 0.00 O ATOM 782 CB LEU A 52 0.123 4.878 -6.541 1.00 0.00 C ATOM 783 CG LEU A 52 0.557 4.806 -5.076 1.00 0.00 C ATOM 784 CD1 LEU A 52 -0.584 5.222 -4.161 1.00 0.00 C ATOM 785 CD2 LEU A 52 1.036 3.404 -4.730 1.00 0.00 C ATOM 0 H LEU A 52 1.304 7.599 -6.016 1.00 0.00 H new ATOM 0 HA LEU A 52 0.253 6.131 -8.283 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.908 4.532 -6.611 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.733 4.181 -7.115 1.00 0.00 H new ATOM 0 HG LEU A 52 1.386 5.498 -4.928 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.257 5.165 -3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.881 6.245 -4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.433 4.555 -4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.341 3.371 -3.684 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.227 2.692 -4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.884 3.143 -5.363 1.00 0.00 H new ATOM 797 N PRO A 53 -2.000 7.095 -7.768 1.00 0.00 N ATOM 798 CA PRO A 53 -3.248 7.840 -7.580 1.00 0.00 C ATOM 799 C PRO A 53 -4.131 7.227 -6.498 1.00 0.00 C ATOM 800 O PRO A 53 -3.905 6.097 -6.064 1.00 0.00 O ATOM 801 CB PRO A 53 -3.930 7.741 -8.947 1.00 0.00 C ATOM 802 CG PRO A 53 -3.380 6.497 -9.555 1.00 0.00 C ATOM 803 CD PRO A 53 -1.966 6.383 -9.057 1.00 0.00 C ATOM 0 HA PRO A 53 -3.066 8.864 -7.253 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.014 7.686 -8.846 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.711 8.613 -9.563 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.968 5.627 -9.263 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.407 6.549 -10.643 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.666 5.342 -8.934 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.258 6.839 -9.749 1.00 0.00 H new ATOM 811 N LEU A 54 -5.138 7.978 -6.067 1.00 0.00 N ATOM 812 CA LEU A 54 -6.057 7.508 -5.036 1.00 0.00 C ATOM 813 C LEU A 54 -7.261 6.808 -5.657 1.00 0.00 C ATOM 814 O LEU A 54 -8.302 7.424 -5.885 1.00 0.00 O ATOM 815 CB LEU A 54 -6.524 8.679 -4.170 1.00 0.00 C ATOM 816 CG LEU A 54 -5.422 9.504 -3.504 1.00 0.00 C ATOM 817 CD1 LEU A 54 -5.869 10.947 -3.327 1.00 0.00 C ATOM 818 CD2 LEU A 54 -5.035 8.895 -2.165 1.00 0.00 C ATOM 0 H LEU A 54 -5.339 8.915 -6.415 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.526 6.790 -4.411 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.125 9.345 -4.789 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.180 8.290 -3.391 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.545 9.494 -4.151 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.072 11.519 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.095 11.380 -4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.761 10.977 -2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.250 9.495 -1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.906 8.874 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.672 7.879 -2.319 1.00 0.00 H new ATOM 830 N THR A 55 -7.112 5.515 -5.928 1.00 0.00 N ATOM 831 CA THR A 55 -8.187 4.730 -6.521 1.00 0.00 C ATOM 832 C THR A 55 -8.474 3.479 -5.698 1.00 0.00 C ATOM 833 O THR A 55 -9.551 3.341 -5.117 1.00 0.00 O ATOM 834 CB THR A 55 -7.848 4.313 -7.965 1.00 0.00 C ATOM 835 OG1 THR A 55 -6.526 3.765 -8.018 1.00 0.00 O ATOM 836 CG2 THR A 55 -7.948 5.502 -8.909 1.00 0.00 C ATOM 0 H THR A 55 -6.257 4.989 -5.746 1.00 0.00 H new ATOM 0 HA THR A 55 -9.072 5.366 -6.532 1.00 0.00 H new ATOM 0 HB THR A 55 -8.567 3.557 -8.281 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.318 3.501 -8.938 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.704 5.183 -9.923 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.963 5.899 -8.888 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.249 6.276 -8.594 1.00 0.00 H new ATOM 844 N ASP A 56 -7.505 2.572 -5.652 1.00 0.00 N ATOM 845 CA ASP A 56 -7.653 1.333 -4.897 1.00 0.00 C ATOM 846 C ASP A 56 -7.533 1.591 -3.398 1.00 0.00 C ATOM 847 O ASP A 56 -7.378 2.734 -2.967 1.00 0.00 O ATOM 848 CB ASP A 56 -6.601 0.314 -5.337 1.00 0.00 C ATOM 849 CG ASP A 56 -6.891 -0.263 -6.709 1.00 0.00 C ATOM 850 OD1 ASP A 56 -7.010 0.525 -7.670 1.00 0.00 O ATOM 851 OD2 ASP A 56 -7.001 -1.502 -6.820 1.00 0.00 O ATOM 0 H ASP A 56 -6.609 2.671 -6.128 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.645 0.930 -5.099 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.620 0.790 -5.346 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.556 -0.495 -4.608 1.00 0.00 H new ATOM 856 N GLN A 57 -7.608 0.523 -2.611 1.00 0.00 N ATOM 857 CA GLN A 57 -7.510 0.636 -1.161 1.00 0.00 C ATOM 858 C GLN A 57 -6.062 0.842 -0.727 1.00 0.00 C ATOM 859 O GLN A 57 -5.167 0.975 -1.562 1.00 0.00 O ATOM 860 CB GLN A 57 -8.082 -0.615 -0.491 1.00 0.00 C ATOM 861 CG GLN A 57 -9.592 -0.734 -0.615 1.00 0.00 C ATOM 862 CD GLN A 57 -10.077 -2.165 -0.487 1.00 0.00 C ATOM 863 OE1 GLN A 57 -9.304 -3.111 -0.643 1.00 0.00 O ATOM 864 NE2 GLN A 57 -11.363 -2.331 -0.200 1.00 0.00 N ATOM 0 H GLN A 57 -7.736 -0.429 -2.953 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.091 1.504 -0.850 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.619 -1.498 -0.932 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.812 -0.607 0.565 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.065 -0.124 0.154 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.906 -0.333 -1.578 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -11.968 -1.518 -0.079 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -11.746 -3.271 -0.100 1.00 0.00 H new ATOM 873 N VAL A 58 -5.840 0.867 0.583 1.00 0.00 N ATOM 874 CA VAL A 58 -4.500 1.056 1.127 1.00 0.00 C ATOM 875 C VAL A 58 -3.640 -0.184 0.913 1.00 0.00 C ATOM 876 O VAL A 58 -2.422 -0.145 1.089 1.00 0.00 O ATOM 877 CB VAL A 58 -4.547 1.382 2.632 1.00 0.00 C ATOM 878 CG1 VAL A 58 -3.140 1.528 3.191 1.00 0.00 C ATOM 879 CG2 VAL A 58 -5.361 2.643 2.879 1.00 0.00 C ATOM 0 H VAL A 58 -6.570 0.759 1.287 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.057 1.897 0.594 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.034 0.556 3.150 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.193 1.758 4.255 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.593 0.596 3.048 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.624 2.335 2.671 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.384 2.858 3.947 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.905 3.480 2.350 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.379 2.496 2.517 1.00 0.00 H new ATOM 889 N SER A 59 -4.281 -1.284 0.532 1.00 0.00 N ATOM 890 CA SER A 59 -3.575 -2.538 0.297 1.00 0.00 C ATOM 891 C SER A 59 -2.507 -2.366 -0.779 1.00 0.00 C ATOM 892 O SER A 59 -1.380 -2.839 -0.632 1.00 0.00 O ATOM 893 CB SER A 59 -4.561 -3.632 -0.118 1.00 0.00 C ATOM 894 OG SER A 59 -4.934 -3.494 -1.478 1.00 0.00 O ATOM 0 H SER A 59 -5.288 -1.332 0.379 1.00 0.00 H new ATOM 0 HA SER A 59 -3.087 -2.832 1.226 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.110 -4.612 0.041 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.449 -3.584 0.512 1.00 0.00 H new ATOM 0 HG SER A 59 -5.563 -4.206 -1.719 1.00 0.00 H new ATOM 900 N VAL A 60 -2.869 -1.685 -1.861 1.00 0.00 N ATOM 901 CA VAL A 60 -1.943 -1.449 -2.962 1.00 0.00 C ATOM 902 C VAL A 60 -0.663 -0.782 -2.470 1.00 0.00 C ATOM 903 O VAL A 60 0.354 -0.779 -3.164 1.00 0.00 O ATOM 904 CB VAL A 60 -2.580 -0.568 -4.053 1.00 0.00 C ATOM 905 CG1 VAL A 60 -3.618 -1.357 -4.837 1.00 0.00 C ATOM 906 CG2 VAL A 60 -3.199 0.678 -3.437 1.00 0.00 C ATOM 0 H VAL A 60 -3.798 -1.287 -1.999 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.702 -2.423 -3.387 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.798 -0.254 -4.745 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.058 -0.719 -5.603 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.141 -2.216 -5.310 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.400 -1.703 -4.160 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.644 1.289 -4.222 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.969 0.387 -2.723 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.427 1.252 -2.924 1.00 0.00 H new ATOM 916 N ILE A 61 -0.721 -0.219 -1.268 1.00 0.00 N ATOM 917 CA ILE A 61 0.435 0.449 -0.682 1.00 0.00 C ATOM 918 C ILE A 61 1.277 -0.524 0.136 1.00 0.00 C ATOM 919 O ILE A 61 2.503 -0.541 0.031 1.00 0.00 O ATOM 920 CB ILE A 61 0.009 1.624 0.219 1.00 0.00 C ATOM 921 CG1 ILE A 61 -0.598 2.748 -0.624 1.00 0.00 C ATOM 922 CG2 ILE A 61 1.197 2.136 1.019 1.00 0.00 C ATOM 923 CD1 ILE A 61 -2.065 2.547 -0.932 1.00 0.00 C ATOM 0 H ILE A 61 -1.555 -0.212 -0.681 1.00 0.00 H new ATOM 0 HA ILE A 61 1.030 0.833 -1.510 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.749 1.270 0.918 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.472 3.694 -0.098 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.046 2.828 -1.560 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.880 2.966 1.651 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.588 1.333 1.644 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.976 2.476 0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.428 3.381 -1.532 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.197 1.617 -1.486 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.629 2.498 -0.001 1.00 0.00 H new ATOM 935 N LYS A 62 0.610 -1.336 0.949 1.00 0.00 N ATOM 936 CA LYS A 62 1.295 -2.316 1.783 1.00 0.00 C ATOM 937 C LYS A 62 2.071 -3.312 0.927 1.00 0.00 C ATOM 938 O LYS A 62 3.141 -3.779 1.316 1.00 0.00 O ATOM 939 CB LYS A 62 0.289 -3.060 2.663 1.00 0.00 C ATOM 940 CG LYS A 62 -0.579 -2.141 3.505 1.00 0.00 C ATOM 941 CD LYS A 62 -1.348 -2.915 4.563 1.00 0.00 C ATOM 942 CE LYS A 62 -1.819 -2.005 5.687 1.00 0.00 C ATOM 943 NZ LYS A 62 -2.944 -2.607 6.454 1.00 0.00 N ATOM 0 H LYS A 62 -0.405 -1.335 1.048 1.00 0.00 H new ATOM 0 HA LYS A 62 2.001 -1.783 2.420 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.353 -3.672 2.029 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.829 -3.740 3.322 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.046 -1.388 3.986 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.279 -1.609 2.861 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.208 -3.404 4.105 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.714 -3.702 4.972 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.988 -1.801 6.362 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.134 -1.048 5.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.703 -1.905 6.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.311 -3.434 5.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.605 -2.904 7.392 1.00 0.00 H new ATOM 957 N VAL A 63 1.526 -3.631 -0.243 1.00 0.00 N ATOM 958 CA VAL A 63 2.168 -4.569 -1.156 1.00 0.00 C ATOM 959 C VAL A 63 3.527 -4.050 -1.611 1.00 0.00 C ATOM 960 O VAL A 63 4.495 -4.805 -1.700 1.00 0.00 O ATOM 961 CB VAL A 63 1.292 -4.837 -2.394 1.00 0.00 C ATOM 962 CG1 VAL A 63 1.500 -3.753 -3.440 1.00 0.00 C ATOM 963 CG2 VAL A 63 1.593 -6.212 -2.972 1.00 0.00 C ATOM 0 H VAL A 63 0.641 -3.253 -0.581 1.00 0.00 H new ATOM 0 HA VAL A 63 2.303 -5.501 -0.608 1.00 0.00 H new ATOM 0 HB VAL A 63 0.246 -4.818 -2.088 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.873 -3.959 -4.307 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.230 -2.785 -3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.547 -3.737 -3.744 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.965 -6.385 -3.846 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.642 -6.263 -3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.388 -6.975 -2.221 1.00 0.00 H new ATOM 973 N LYS A 64 3.593 -2.754 -1.898 1.00 0.00 N ATOM 974 CA LYS A 64 4.833 -2.131 -2.343 1.00 0.00 C ATOM 975 C LYS A 64 5.972 -2.433 -1.375 1.00 0.00 C ATOM 976 O LYS A 64 7.034 -2.908 -1.779 1.00 0.00 O ATOM 977 CB LYS A 64 4.649 -0.617 -2.474 1.00 0.00 C ATOM 978 CG LYS A 64 3.617 -0.217 -3.514 1.00 0.00 C ATOM 979 CD LYS A 64 4.240 -0.071 -4.891 1.00 0.00 C ATOM 980 CE LYS A 64 3.220 0.396 -5.918 1.00 0.00 C ATOM 981 NZ LYS A 64 3.740 0.281 -7.309 1.00 0.00 N ATOM 0 H LYS A 64 2.801 -2.115 -1.830 1.00 0.00 H new ATOM 0 HA LYS A 64 5.089 -2.546 -3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.354 -0.210 -1.507 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.606 -0.164 -2.732 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.826 -0.966 -3.549 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.152 0.725 -3.223 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.064 0.641 -4.845 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.662 -1.026 -5.204 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.310 -0.196 -5.821 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.950 1.432 -5.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.015 0.609 -7.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.594 0.865 -7.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.974 -0.712 -7.511 1.00 0.00 H new ATOM 995 N ILE A 65 5.744 -2.156 -0.095 1.00 0.00 N ATOM 996 CA ILE A 65 6.750 -2.402 0.930 1.00 0.00 C ATOM 997 C ILE A 65 7.314 -3.814 0.820 1.00 0.00 C ATOM 998 O ILE A 65 8.472 -4.005 0.446 1.00 0.00 O ATOM 999 CB ILE A 65 6.174 -2.200 2.344 1.00 0.00 C ATOM 1000 CG1 ILE A 65 5.586 -0.794 2.483 1.00 0.00 C ATOM 1001 CG2 ILE A 65 7.250 -2.436 3.393 1.00 0.00 C ATOM 1002 CD1 ILE A 65 4.820 -0.584 3.770 1.00 0.00 C ATOM 0 H ILE A 65 4.872 -1.761 0.256 1.00 0.00 H new ATOM 0 HA ILE A 65 7.550 -1.680 0.766 1.00 0.00 H new ATOM 0 HB ILE A 65 5.375 -2.925 2.502 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.394 -0.064 2.427 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.923 -0.601 1.640 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.827 -2.289 4.387 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.626 -3.455 3.305 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.068 -1.733 3.239 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.432 0.434 3.800 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.991 -1.290 3.819 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.484 -0.745 4.619 1.00 0.00 H new ATOM 1014 N HIS A 66 6.488 -4.803 1.148 1.00 0.00 N ATOM 1015 CA HIS A 66 6.903 -6.199 1.083 1.00 0.00 C ATOM 1016 C HIS A 66 7.746 -6.459 -0.162 1.00 0.00 C ATOM 1017 O HIS A 66 8.591 -7.353 -0.175 1.00 0.00 O ATOM 1018 CB HIS A 66 5.681 -7.118 1.086 1.00 0.00 C ATOM 1019 CG HIS A 66 6.023 -8.570 1.212 1.00 0.00 C ATOM 1020 ND1 HIS A 66 6.080 -9.426 0.133 1.00 0.00 N ATOM 1021 CD2 HIS A 66 6.330 -9.317 2.299 1.00 0.00 C ATOM 1022 CE1 HIS A 66 6.405 -10.637 0.550 1.00 0.00 C ATOM 1023 NE2 HIS A 66 6.562 -10.597 1.861 1.00 0.00 N ATOM 0 H HIS A 66 5.528 -4.663 1.461 1.00 0.00 H new ATOM 0 HA HIS A 66 7.511 -6.412 1.963 1.00 0.00 H new ATOM 0 HB2 HIS A 66 5.026 -6.835 1.910 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.119 -6.964 0.165 1.00 0.00 H new ATOM 0 HD2 HIS A 66 6.383 -8.970 3.320 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.522 -11.510 -0.074 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.815 -11.389 2.452 1.00 0.00 H new ATOM 1032 N GLU A 67 7.508 -5.671 -1.206 1.00 0.00 N ATOM 1033 CA GLU A 67 8.245 -5.818 -2.456 1.00 0.00 C ATOM 1034 C GLU A 67 9.734 -5.559 -2.244 1.00 0.00 C ATOM 1035 O GLU A 67 10.560 -6.456 -2.407 1.00 0.00 O ATOM 1036 CB GLU A 67 7.695 -4.858 -3.513 1.00 0.00 C ATOM 1037 CG GLU A 67 7.757 -5.410 -4.928 1.00 0.00 C ATOM 1038 CD GLU A 67 9.125 -5.961 -5.280 1.00 0.00 C ATOM 1039 OE1 GLU A 67 10.118 -5.217 -5.136 1.00 0.00 O ATOM 1040 OE2 GLU A 67 9.204 -7.135 -5.698 1.00 0.00 O ATOM 0 H GLU A 67 6.812 -4.926 -1.211 1.00 0.00 H new ATOM 0 HA GLU A 67 8.118 -6.843 -2.804 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.660 -4.618 -3.271 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.256 -3.925 -3.471 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.012 -6.198 -5.039 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.495 -4.622 -5.633 1.00 0.00 H new ATOM 1047 N ALA A 68 10.068 -4.326 -1.879 1.00 0.00 N ATOM 1048 CA ALA A 68 11.456 -3.949 -1.642 1.00 0.00 C ATOM 1049 C ALA A 68 12.004 -4.626 -0.391 1.00 0.00 C ATOM 1050 O ALA A 68 13.053 -5.270 -0.429 1.00 0.00 O ATOM 1051 CB ALA A 68 11.579 -2.437 -1.523 1.00 0.00 C ATOM 0 H ALA A 68 9.396 -3.571 -1.741 1.00 0.00 H new ATOM 0 HA ALA A 68 12.048 -4.285 -2.493 1.00 0.00 H new ATOM 0 HB1 ALA A 68 12.621 -2.170 -1.346 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.236 -1.970 -2.446 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.968 -2.087 -0.691 1.00 0.00 H new ATOM 1057 N THR A 69 11.287 -4.478 0.719 1.00 0.00 N ATOM 1058 CA THR A 69 11.702 -5.074 1.982 1.00 0.00 C ATOM 1059 C THR A 69 10.970 -6.386 2.238 1.00 0.00 C ATOM 1060 O THR A 69 9.864 -6.598 1.743 1.00 0.00 O ATOM 1061 CB THR A 69 11.449 -4.119 3.164 1.00 0.00 C ATOM 1062 OG1 THR A 69 10.041 -3.950 3.364 1.00 0.00 O ATOM 1063 CG2 THR A 69 12.097 -2.765 2.915 1.00 0.00 C ATOM 0 H THR A 69 10.416 -3.950 0.768 1.00 0.00 H new ATOM 0 HA THR A 69 12.772 -5.268 1.903 1.00 0.00 H new ATOM 0 HB THR A 69 11.893 -4.557 4.058 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.888 -3.343 4.118 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.905 -2.108 3.763 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.172 -2.893 2.792 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.679 -2.322 2.011 1.00 0.00 H new ATOM 1071 N GLY A 70 11.594 -7.265 3.016 1.00 0.00 N ATOM 1072 CA GLY A 70 10.986 -8.546 3.324 1.00 0.00 C ATOM 1073 C GLY A 70 9.997 -8.458 4.469 1.00 0.00 C ATOM 1074 O GLY A 70 9.901 -9.372 5.287 1.00 0.00 O ATOM 0 H GLY A 70 12.510 -7.113 3.438 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.478 -8.926 2.438 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.766 -9.264 3.576 1.00 0.00 H new ATOM 1078 N MET A 71 9.260 -7.353 4.529 1.00 0.00 N ATOM 1079 CA MET A 71 8.274 -7.148 5.583 1.00 0.00 C ATOM 1080 C MET A 71 6.862 -7.403 5.064 1.00 0.00 C ATOM 1081 O MET A 71 6.455 -6.885 4.024 1.00 0.00 O ATOM 1082 CB MET A 71 8.376 -5.727 6.138 1.00 0.00 C ATOM 1083 CG MET A 71 7.821 -5.582 7.546 1.00 0.00 C ATOM 1084 SD MET A 71 8.143 -3.957 8.256 1.00 0.00 S ATOM 1085 CE MET A 71 7.723 -4.248 9.973 1.00 0.00 C ATOM 0 H MET A 71 9.327 -6.586 3.860 1.00 0.00 H new ATOM 0 HA MET A 71 8.482 -7.858 6.383 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.422 -5.419 6.135 1.00 0.00 H new ATOM 0 HB3 MET A 71 7.842 -5.047 5.474 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.746 -5.760 7.528 1.00 0.00 H new ATOM 0 HG3 MET A 71 8.260 -6.347 8.186 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.976 -3.522 10.293 1.00 0.00 H new ATOM 0 HE2 MET A 71 7.321 -5.255 10.084 1.00 0.00 H new ATOM 0 HE3 MET A 71 8.617 -4.145 10.589 1.00 0.00 H new ATOM 1095 N PRO A 72 6.098 -8.221 5.802 1.00 0.00 N ATOM 1096 CA PRO A 72 4.720 -8.563 5.435 1.00 0.00 C ATOM 1097 C PRO A 72 3.770 -7.380 5.584 1.00 0.00 C ATOM 1098 O PRO A 72 3.999 -6.487 6.399 1.00 0.00 O ATOM 1099 CB PRO A 72 4.354 -9.671 6.425 1.00 0.00 C ATOM 1100 CG PRO A 72 5.236 -9.434 7.603 1.00 0.00 C ATOM 1101 CD PRO A 72 6.519 -8.875 7.053 1.00 0.00 C ATOM 0 HA PRO A 72 4.639 -8.862 4.390 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.301 -9.622 6.703 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.524 -10.658 5.995 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.774 -8.737 8.302 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.416 -10.360 8.149 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.977 -8.166 7.743 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.253 -9.660 6.869 1.00 0.00 H new ATOM 1109 N ALA A 73 2.702 -7.381 4.793 1.00 0.00 N ATOM 1110 CA ALA A 73 1.716 -6.309 4.839 1.00 0.00 C ATOM 1111 C ALA A 73 0.634 -6.603 5.872 1.00 0.00 C ATOM 1112 O ALA A 73 -0.540 -6.301 5.659 1.00 0.00 O ATOM 1113 CB ALA A 73 1.095 -6.103 3.465 1.00 0.00 C ATOM 0 H ALA A 73 2.498 -8.113 4.112 1.00 0.00 H new ATOM 0 HA ALA A 73 2.226 -5.392 5.136 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.360 -5.299 3.515 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.874 -5.839 2.750 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.605 -7.023 3.145 1.00 0.00 H new ATOM 1119 N GLY A 74 1.036 -7.195 6.992 1.00 0.00 N ATOM 1120 CA GLY A 74 0.088 -7.521 8.041 1.00 0.00 C ATOM 1121 C GLY A 74 0.631 -7.228 9.426 1.00 0.00 C ATOM 1122 O GLY A 74 -0.117 -6.852 10.328 1.00 0.00 O ATOM 0 H GLY A 74 2.002 -7.455 7.192 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.829 -6.953 7.886 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.175 -8.577 7.973 1.00 0.00 H new ATOM 1126 N LYS A 75 1.937 -7.403 9.596 1.00 0.00 N ATOM 1127 CA LYS A 75 2.582 -7.156 10.880 1.00 0.00 C ATOM 1128 C LYS A 75 2.833 -5.666 11.085 1.00 0.00 C ATOM 1129 O LYS A 75 2.589 -5.129 12.166 1.00 0.00 O ATOM 1130 CB LYS A 75 3.903 -7.924 10.967 1.00 0.00 C ATOM 1131 CG LYS A 75 3.727 -9.411 11.220 1.00 0.00 C ATOM 1132 CD LYS A 75 4.929 -10.001 11.938 1.00 0.00 C ATOM 1133 CE LYS A 75 4.767 -9.929 13.449 1.00 0.00 C ATOM 1134 NZ LYS A 75 6.070 -10.071 14.154 1.00 0.00 N ATOM 0 H LYS A 75 2.570 -7.715 8.860 1.00 0.00 H new ATOM 0 HA LYS A 75 1.914 -7.505 11.667 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.456 -7.785 10.038 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.510 -7.497 11.766 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.829 -9.576 11.816 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.579 -9.927 10.271 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.062 -11.039 11.634 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.830 -9.465 11.642 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.309 -8.978 13.720 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.088 -10.715 13.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.906 -10.420 15.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.671 -10.746 13.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.545 -9.147 14.196 1.00 0.00 H new ATOM 1148 N GLN A 76 3.321 -5.003 10.041 1.00 0.00 N ATOM 1149 CA GLN A 76 3.604 -3.574 10.108 1.00 0.00 C ATOM 1150 C GLN A 76 2.312 -2.763 10.115 1.00 0.00 C ATOM 1151 O GLN A 76 1.282 -3.211 9.610 1.00 0.00 O ATOM 1152 CB GLN A 76 4.479 -3.151 8.927 1.00 0.00 C ATOM 1153 CG GLN A 76 3.784 -3.269 7.581 1.00 0.00 C ATOM 1154 CD GLN A 76 4.689 -2.900 6.422 1.00 0.00 C ATOM 1155 OE1 GLN A 76 5.677 -2.186 6.594 1.00 0.00 O ATOM 1156 NE2 GLN A 76 4.356 -3.386 5.232 1.00 0.00 N ATOM 0 H GLN A 76 3.528 -5.432 9.139 1.00 0.00 H new ATOM 0 HA GLN A 76 4.139 -3.378 11.037 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.797 -2.119 9.073 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.380 -3.764 8.916 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.429 -4.291 7.448 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.906 -2.623 7.572 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.528 -3.974 5.135 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.928 -3.171 4.415 1.00 0.00 H new ATOM 1165 N LYS A 77 2.374 -1.567 10.690 1.00 0.00 N ATOM 1166 CA LYS A 77 1.210 -0.692 10.763 1.00 0.00 C ATOM 1167 C LYS A 77 1.538 0.696 10.221 1.00 0.00 C ATOM 1168 O LYS A 77 2.402 1.393 10.754 1.00 0.00 O ATOM 1169 CB LYS A 77 0.717 -0.584 12.208 1.00 0.00 C ATOM 1170 CG LYS A 77 -0.762 -0.256 12.323 1.00 0.00 C ATOM 1171 CD LYS A 77 -1.333 -0.720 13.653 1.00 0.00 C ATOM 1172 CE LYS A 77 -0.854 0.155 14.801 1.00 0.00 C ATOM 1173 NZ LYS A 77 -1.659 -0.060 16.035 1.00 0.00 N ATOM 0 H LYS A 77 3.218 -1.181 11.112 1.00 0.00 H new ATOM 0 HA LYS A 77 0.421 -1.126 10.148 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.913 -1.525 12.721 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.292 0.185 12.723 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.907 0.819 12.219 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.306 -0.731 11.507 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.422 -0.701 13.609 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.040 -1.754 13.835 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.194 -0.060 15.009 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.912 1.203 14.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.013 0.854 16.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.463 -0.684 15.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.064 -0.501 16.765 1.00 0.00 H new ATOM 1187 N LEU A 78 0.843 1.091 9.160 1.00 0.00 N ATOM 1188 CA LEU A 78 1.059 2.397 8.547 1.00 0.00 C ATOM 1189 C LEU A 78 0.216 3.467 9.233 1.00 0.00 C ATOM 1190 O LEU A 78 -1.013 3.413 9.205 1.00 0.00 O ATOM 1191 CB LEU A 78 0.723 2.344 7.056 1.00 0.00 C ATOM 1192 CG LEU A 78 1.550 1.370 6.215 1.00 0.00 C ATOM 1193 CD1 LEU A 78 1.168 1.475 4.747 1.00 0.00 C ATOM 1194 CD2 LEU A 78 3.037 1.635 6.401 1.00 0.00 C ATOM 0 H LEU A 78 0.125 0.526 8.706 1.00 0.00 H new ATOM 0 HA LEU A 78 2.111 2.658 8.667 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.329 2.081 6.950 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.844 3.345 6.641 1.00 0.00 H new ATOM 0 HG LEU A 78 1.337 0.356 6.553 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.767 0.775 4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.111 1.236 4.628 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.352 2.490 4.395 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.610 0.933 5.795 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.267 2.654 6.090 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.301 1.508 7.451 1.00 0.00 H new ATOM 1206 N GLN A 79 0.885 4.438 9.845 1.00 0.00 N ATOM 1207 CA GLN A 79 0.197 5.521 10.537 1.00 0.00 C ATOM 1208 C GLN A 79 0.257 6.811 9.724 1.00 0.00 C ATOM 1209 O GLN A 79 1.327 7.225 9.277 1.00 0.00 O ATOM 1210 CB GLN A 79 0.813 5.746 11.919 1.00 0.00 C ATOM 1211 CG GLN A 79 -0.171 6.290 12.942 1.00 0.00 C ATOM 1212 CD GLN A 79 0.327 6.141 14.366 1.00 0.00 C ATOM 1213 OE1 GLN A 79 -0.361 5.581 15.221 1.00 0.00 O ATOM 1214 NE2 GLN A 79 1.528 6.642 14.630 1.00 0.00 N ATOM 0 H GLN A 79 1.903 4.497 9.876 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.848 5.236 10.656 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.220 4.803 12.284 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.649 6.439 11.827 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.359 7.344 12.735 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.123 5.770 12.838 1.00 0.00 H new ATOM 0 HE21 GLN A 79 2.064 7.098 13.892 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.915 6.571 15.571 1.00 0.00 H new ATOM 1223 N TYR A 80 -0.898 7.440 9.537 1.00 0.00 N ATOM 1224 CA TYR A 80 -0.976 8.682 8.776 1.00 0.00 C ATOM 1225 C TYR A 80 -1.804 9.725 9.519 1.00 0.00 C ATOM 1226 O TYR A 80 -3.011 9.564 9.698 1.00 0.00 O ATOM 1227 CB TYR A 80 -1.584 8.421 7.396 1.00 0.00 C ATOM 1228 CG TYR A 80 -2.169 9.656 6.749 1.00 0.00 C ATOM 1229 CD1 TYR A 80 -1.346 10.663 6.260 1.00 0.00 C ATOM 1230 CD2 TYR A 80 -3.544 9.815 6.626 1.00 0.00 C ATOM 1231 CE1 TYR A 80 -1.876 11.794 5.669 1.00 0.00 C ATOM 1232 CE2 TYR A 80 -4.082 10.941 6.035 1.00 0.00 C ATOM 1233 CZ TYR A 80 -3.244 11.928 5.558 1.00 0.00 C ATOM 1234 OH TYR A 80 -3.777 13.052 4.969 1.00 0.00 O ATOM 0 H TYR A 80 -1.792 7.111 9.901 1.00 0.00 H new ATOM 0 HA TYR A 80 0.036 9.068 8.654 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -0.816 8.008 6.742 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -2.364 7.665 7.489 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.274 10.560 6.343 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.203 9.045 6.999 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -1.222 12.569 5.296 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.153 11.049 5.947 1.00 0.00 H new ATOM 0 HH TYR A 80 -3.608 13.831 5.539 1.00 0.00 H new ATOM 1244 N GLU A 81 -1.145 10.796 9.950 1.00 0.00 N ATOM 1245 CA GLU A 81 -1.819 11.867 10.675 1.00 0.00 C ATOM 1246 C GLU A 81 -2.539 11.322 11.906 1.00 0.00 C ATOM 1247 O GLU A 81 -3.696 11.654 12.160 1.00 0.00 O ATOM 1248 CB GLU A 81 -2.818 12.581 9.762 1.00 0.00 C ATOM 1249 CG GLU A 81 -2.191 13.671 8.909 1.00 0.00 C ATOM 1250 CD GLU A 81 -3.225 14.570 8.259 1.00 0.00 C ATOM 1251 OE1 GLU A 81 -4.312 14.747 8.849 1.00 0.00 O ATOM 1252 OE2 GLU A 81 -2.947 15.097 7.162 1.00 0.00 O ATOM 0 H GLU A 81 -0.146 10.945 9.810 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.063 12.580 11.003 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.290 11.847 9.109 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.608 13.018 10.373 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.527 14.275 9.528 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.575 13.213 8.135 1.00 0.00 H new ATOM 1259 N GLY A 82 -1.844 10.481 12.666 1.00 0.00 N ATOM 1260 CA GLY A 82 -2.431 9.903 13.860 1.00 0.00 C ATOM 1261 C GLY A 82 -3.590 8.977 13.546 1.00 0.00 C ATOM 1262 O GLY A 82 -4.515 8.836 14.347 1.00 0.00 O ATOM 0 H GLY A 82 -0.885 10.190 12.476 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.666 9.351 14.406 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.776 10.703 14.515 1.00 0.00 H new ATOM 1266 N ILE A 83 -3.542 8.347 12.378 1.00 0.00 N ATOM 1267 CA ILE A 83 -4.596 7.431 11.960 1.00 0.00 C ATOM 1268 C ILE A 83 -4.029 6.054 11.631 1.00 0.00 C ATOM 1269 O ILE A 83 -3.035 5.935 10.914 1.00 0.00 O ATOM 1270 CB ILE A 83 -5.354 7.968 10.732 1.00 0.00 C ATOM 1271 CG1 ILE A 83 -5.951 9.344 11.036 1.00 0.00 C ATOM 1272 CG2 ILE A 83 -6.444 6.992 10.315 1.00 0.00 C ATOM 1273 CD1 ILE A 83 -6.570 10.014 9.829 1.00 0.00 C ATOM 0 H ILE A 83 -2.784 8.454 11.704 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.290 7.346 12.796 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.651 8.072 9.906 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.709 9.239 11.812 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.170 9.989 11.439 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -6.971 7.385 9.446 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.995 6.031 10.063 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.148 6.860 11.137 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.973 10.985 10.118 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.810 10.151 9.060 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.373 9.389 9.438 1.00 0.00 H new ATOM 1285 N PHE A 84 -4.669 5.015 12.159 1.00 0.00 N ATOM 1286 CA PHE A 84 -4.230 3.645 11.921 1.00 0.00 C ATOM 1287 C PHE A 84 -4.822 3.102 10.624 1.00 0.00 C ATOM 1288 O PHE A 84 -5.550 2.108 10.631 1.00 0.00 O ATOM 1289 CB PHE A 84 -4.630 2.748 13.093 1.00 0.00 C ATOM 1290 CG PHE A 84 -3.833 3.001 14.341 1.00 0.00 C ATOM 1291 CD1 PHE A 84 -2.448 3.020 14.302 1.00 0.00 C ATOM 1292 CD2 PHE A 84 -4.468 3.220 15.553 1.00 0.00 C ATOM 1293 CE1 PHE A 84 -1.712 3.251 15.449 1.00 0.00 C ATOM 1294 CE2 PHE A 84 -3.738 3.453 16.703 1.00 0.00 C ATOM 1295 CZ PHE A 84 -2.358 3.470 16.650 1.00 0.00 C ATOM 0 H PHE A 84 -5.493 5.096 12.754 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.144 3.648 11.830 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.688 2.898 13.310 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.509 1.705 12.800 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.938 2.852 13.365 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.547 3.208 15.599 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.633 3.260 15.406 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.246 3.621 17.641 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.785 3.654 17.547 1.00 0.00 H new ATOM 1305 N ILE A 85 -4.506 3.760 9.514 1.00 0.00 N ATOM 1306 CA ILE A 85 -5.006 3.343 8.210 1.00 0.00 C ATOM 1307 C ILE A 85 -4.816 1.844 8.002 1.00 0.00 C ATOM 1308 O ILE A 85 -3.745 1.299 8.271 1.00 0.00 O ATOM 1309 CB ILE A 85 -4.304 4.101 7.069 1.00 0.00 C ATOM 1310 CG1 ILE A 85 -2.785 4.034 7.241 1.00 0.00 C ATOM 1311 CG2 ILE A 85 -4.774 5.548 7.026 1.00 0.00 C ATOM 1312 CD1 ILE A 85 -2.018 4.472 6.013 1.00 0.00 C ATOM 0 H ILE A 85 -3.906 4.584 9.492 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.070 3.578 8.190 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.565 3.626 6.123 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.495 4.662 8.084 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.501 3.012 7.492 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.269 6.071 6.214 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.851 5.576 6.861 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.539 6.035 7.973 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.948 4.399 6.207 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.279 3.829 5.172 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.273 5.504 5.773 1.00 0.00 H new ATOM 1324 N LYS A 86 -5.862 1.182 7.520 1.00 0.00 N ATOM 1325 CA LYS A 86 -5.811 -0.254 7.272 1.00 0.00 C ATOM 1326 C LYS A 86 -6.168 -0.569 5.822 1.00 0.00 C ATOM 1327 O LYS A 86 -6.772 0.251 5.130 1.00 0.00 O ATOM 1328 CB LYS A 86 -6.766 -0.990 8.214 1.00 0.00 C ATOM 1329 CG LYS A 86 -6.128 -1.393 9.533 1.00 0.00 C ATOM 1330 CD LYS A 86 -7.169 -1.869 10.533 1.00 0.00 C ATOM 1331 CE LYS A 86 -7.490 -3.344 10.343 1.00 0.00 C ATOM 1332 NZ LYS A 86 -8.494 -3.825 11.332 1.00 0.00 N ATOM 0 H LYS A 86 -6.756 1.617 7.293 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.792 -0.593 7.459 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.627 -0.353 8.416 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.141 -1.883 7.713 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.400 -2.185 9.359 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.583 -0.545 9.949 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.804 -1.702 11.547 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.079 -1.280 10.421 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.868 -3.506 9.334 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.576 -3.930 10.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.686 -4.834 11.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.123 -3.694 12.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.375 -3.283 11.224 1.00 0.00 H new ATOM 1346 N ASP A 87 -5.792 -1.760 5.371 1.00 0.00 N ATOM 1347 CA ASP A 87 -6.075 -2.184 4.004 1.00 0.00 C ATOM 1348 C ASP A 87 -7.577 -2.304 3.773 1.00 0.00 C ATOM 1349 O ASP A 87 -8.041 -2.313 2.633 1.00 0.00 O ATOM 1350 CB ASP A 87 -5.392 -3.521 3.711 1.00 0.00 C ATOM 1351 CG ASP A 87 -5.424 -4.460 4.900 1.00 0.00 C ATOM 1352 OD1 ASP A 87 -6.466 -4.514 5.587 1.00 0.00 O ATOM 1353 OD2 ASP A 87 -4.407 -5.143 5.143 1.00 0.00 O ATOM 0 H ASP A 87 -5.291 -2.449 5.931 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.681 -1.427 3.325 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.882 -3.998 2.862 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.357 -3.341 3.422 1.00 0.00 H new ATOM 1358 N SER A 88 -8.333 -2.397 4.862 1.00 0.00 N ATOM 1359 CA SER A 88 -9.784 -2.522 4.778 1.00 0.00 C ATOM 1360 C SER A 88 -10.423 -1.186 4.410 1.00 0.00 C ATOM 1361 O SER A 88 -11.539 -1.141 3.894 1.00 0.00 O ATOM 1362 CB SER A 88 -10.352 -3.023 6.107 1.00 0.00 C ATOM 1363 OG SER A 88 -11.741 -3.282 6.002 1.00 0.00 O ATOM 0 H SER A 88 -7.965 -2.388 5.813 1.00 0.00 H new ATOM 0 HA SER A 88 -10.017 -3.245 3.996 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.831 -3.932 6.409 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.175 -2.280 6.885 1.00 0.00 H new ATOM 0 HG SER A 88 -12.080 -3.602 6.864 1.00 0.00 H new ATOM 1369 N ASN A 89 -9.707 -0.100 4.680 1.00 0.00 N ATOM 1370 CA ASN A 89 -10.204 1.238 4.379 1.00 0.00 C ATOM 1371 C ASN A 89 -9.675 1.724 3.033 1.00 0.00 C ATOM 1372 O ASN A 89 -8.751 1.138 2.469 1.00 0.00 O ATOM 1373 CB ASN A 89 -9.798 2.216 5.483 1.00 0.00 C ATOM 1374 CG ASN A 89 -10.635 2.053 6.737 1.00 0.00 C ATOM 1375 OD1 ASN A 89 -11.470 2.900 7.054 1.00 0.00 O ATOM 1376 ND2 ASN A 89 -10.414 0.960 7.457 1.00 0.00 N ATOM 0 H ASN A 89 -8.781 -0.120 5.107 1.00 0.00 H new ATOM 0 HA ASN A 89 -11.292 1.192 4.327 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.747 2.066 5.729 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.896 3.237 5.114 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -10.947 0.796 8.311 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -9.712 0.284 7.156 1.00 0.00 H new ATOM 1383 N SER A 90 -10.267 2.800 2.524 1.00 0.00 N ATOM 1384 CA SER A 90 -9.858 3.363 1.243 1.00 0.00 C ATOM 1385 C SER A 90 -8.963 4.581 1.446 1.00 0.00 C ATOM 1386 O SER A 90 -9.051 5.268 2.465 1.00 0.00 O ATOM 1387 CB SER A 90 -11.087 3.752 0.417 1.00 0.00 C ATOM 1388 OG SER A 90 -11.936 2.636 0.211 1.00 0.00 O ATOM 0 H SER A 90 -11.031 3.299 2.979 1.00 0.00 H new ATOM 0 HA SER A 90 -9.292 2.603 0.704 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.637 4.542 0.928 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.770 4.155 -0.545 1.00 0.00 H new ATOM 0 HG SER A 90 -12.714 2.910 -0.317 1.00 0.00 H new ATOM 1394 N LEU A 91 -8.100 4.843 0.470 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.187 5.979 0.541 1.00 0.00 C ATOM 1396 C LEU A 91 -7.943 7.296 0.395 1.00 0.00 C ATOM 1397 O LEU A 91 -7.807 8.196 1.223 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.119 5.867 -0.549 1.00 0.00 C ATOM 1399 CG LEU A 91 -5.117 4.723 -0.392 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -4.595 4.280 -1.750 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -3.967 5.141 0.513 1.00 0.00 C ATOM 0 H LEU A 91 -8.013 4.285 -0.379 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.704 5.966 1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.620 5.755 -1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.566 6.805 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.629 3.879 0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.883 3.465 -1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.427 3.939 -2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.100 5.118 -2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.264 4.314 0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.457 6.001 0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.356 5.408 1.496 1.00 0.00 H new ATOM 1413 N ALA A 92 -8.741 7.400 -0.662 1.00 0.00 N ATOM 1414 CA ALA A 92 -9.522 8.604 -0.914 1.00 0.00 C ATOM 1415 C ALA A 92 -10.500 8.873 0.225 1.00 0.00 C ATOM 1416 O ALA A 92 -10.790 10.025 0.548 1.00 0.00 O ATOM 1417 CB ALA A 92 -10.268 8.483 -2.234 1.00 0.00 C ATOM 0 H ALA A 92 -8.864 6.664 -1.358 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.834 9.447 -0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.847 9.390 -2.409 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -9.553 8.347 -3.045 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -10.940 7.625 -2.195 1.00 0.00 H new ATOM 1423 N TYR A 93 -11.004 7.804 0.831 1.00 0.00 N ATOM 1424 CA TYR A 93 -11.951 7.925 1.932 1.00 0.00 C ATOM 1425 C TYR A 93 -11.341 8.704 3.093 1.00 0.00 C ATOM 1426 O TYR A 93 -12.052 9.336 3.874 1.00 0.00 O ATOM 1427 CB TYR A 93 -12.391 6.539 2.409 1.00 0.00 C ATOM 1428 CG TYR A 93 -13.171 6.564 3.704 1.00 0.00 C ATOM 1429 CD1 TYR A 93 -12.521 6.679 4.927 1.00 0.00 C ATOM 1430 CD2 TYR A 93 -14.557 6.471 3.705 1.00 0.00 C ATOM 1431 CE1 TYR A 93 -13.229 6.701 6.113 1.00 0.00 C ATOM 1432 CE2 TYR A 93 -15.274 6.494 4.886 1.00 0.00 C ATOM 1433 CZ TYR A 93 -14.605 6.608 6.087 1.00 0.00 C ATOM 1434 OH TYR A 93 -15.315 6.630 7.266 1.00 0.00 O ATOM 0 H TYR A 93 -10.772 6.843 0.578 1.00 0.00 H new ATOM 0 HA TYR A 93 -12.822 8.471 1.570 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.002 6.075 1.635 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.509 5.911 2.538 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.444 6.752 4.951 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -15.083 6.379 2.766 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.708 6.790 7.055 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -16.352 6.423 4.869 1.00 0.00 H new ATOM 0 HH TYR A 93 -16.273 6.556 7.072 1.00 0.00 H new ATOM 1444 N TYR A 94 -10.017 8.654 3.199 1.00 0.00 N ATOM 1445 CA TYR A 94 -9.309 9.354 4.264 1.00 0.00 C ATOM 1446 C TYR A 94 -9.016 10.797 3.867 1.00 0.00 C ATOM 1447 O TYR A 94 -8.438 11.560 4.640 1.00 0.00 O ATOM 1448 CB TYR A 94 -8.004 8.629 4.598 1.00 0.00 C ATOM 1449 CG TYR A 94 -8.198 7.394 5.448 1.00 0.00 C ATOM 1450 CD1 TYR A 94 -8.789 7.474 6.702 1.00 0.00 C ATOM 1451 CD2 TYR A 94 -7.789 6.145 4.995 1.00 0.00 C ATOM 1452 CE1 TYR A 94 -8.967 6.348 7.482 1.00 0.00 C ATOM 1453 CE2 TYR A 94 -7.965 5.013 5.767 1.00 0.00 C ATOM 1454 CZ TYR A 94 -8.554 5.119 7.010 1.00 0.00 C ATOM 1455 OH TYR A 94 -8.730 3.995 7.783 1.00 0.00 O ATOM 0 H TYR A 94 -9.413 8.136 2.560 1.00 0.00 H new ATOM 0 HA TYR A 94 -9.948 9.363 5.147 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.507 8.347 3.670 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -7.339 9.318 5.119 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -9.115 8.434 7.074 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.326 6.058 4.023 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.427 6.429 8.456 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.643 4.050 5.399 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.521 4.108 8.350 1.00 0.00 H new ATOM 1465 N ASN A 95 -9.420 11.165 2.656 1.00 0.00 N ATOM 1466 CA ASN A 95 -9.201 12.517 2.154 1.00 0.00 C ATOM 1467 C ASN A 95 -7.728 12.902 2.254 1.00 0.00 C ATOM 1468 O ASN A 95 -7.386 13.945 2.812 1.00 0.00 O ATOM 1469 CB ASN A 95 -10.056 13.517 2.935 1.00 0.00 C ATOM 1470 CG ASN A 95 -11.451 13.660 2.358 1.00 0.00 C ATOM 1471 OD1 ASN A 95 -11.885 14.761 2.020 1.00 0.00 O ATOM 1472 ND2 ASN A 95 -12.160 12.543 2.242 1.00 0.00 N ATOM 0 H ASN A 95 -9.901 10.546 2.004 1.00 0.00 H new ATOM 0 HA ASN A 95 -9.494 12.541 1.104 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -10.127 13.196 3.974 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.564 14.490 2.934 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.105 12.576 1.860 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -11.759 11.652 2.535 1.00 0.00 H new ATOM 1479 N MET A 96 -6.862 12.054 1.710 1.00 0.00 N ATOM 1480 CA MET A 96 -5.426 12.307 1.737 1.00 0.00 C ATOM 1481 C MET A 96 -5.016 13.233 0.596 1.00 0.00 C ATOM 1482 O MET A 96 -5.699 13.317 -0.424 1.00 0.00 O ATOM 1483 CB MET A 96 -4.652 10.990 1.643 1.00 0.00 C ATOM 1484 CG MET A 96 -5.025 9.989 2.724 1.00 0.00 C ATOM 1485 SD MET A 96 -4.658 8.288 2.251 1.00 0.00 S ATOM 1486 CE MET A 96 -4.500 7.516 3.859 1.00 0.00 C ATOM 0 H MET A 96 -7.129 11.186 1.245 1.00 0.00 H new ATOM 0 HA MET A 96 -5.186 12.794 2.682 1.00 0.00 H new ATOM 0 HB2 MET A 96 -4.831 10.541 0.666 1.00 0.00 H new ATOM 0 HB3 MET A 96 -3.584 11.200 1.706 1.00 0.00 H new ATOM 0 HG2 MET A 96 -4.486 10.232 3.640 1.00 0.00 H new ATOM 0 HG3 MET A 96 -6.088 10.079 2.946 1.00 0.00 H new ATOM 0 HE1 MET A 96 -4.698 6.448 3.771 1.00 0.00 H new ATOM 0 HE2 MET A 96 -3.489 7.668 4.238 1.00 0.00 H new ATOM 0 HE3 MET A 96 -5.217 7.962 4.549 1.00 0.00 H new ATOM 1496 N ALA A 97 -3.897 13.927 0.776 1.00 0.00 N ATOM 1497 CA ALA A 97 -3.395 14.845 -0.238 1.00 0.00 C ATOM 1498 C ALA A 97 -2.001 14.442 -0.704 1.00 0.00 C ATOM 1499 O ALA A 97 -1.263 13.775 0.022 1.00 0.00 O ATOM 1500 CB ALA A 97 -3.383 16.269 0.298 1.00 0.00 C ATOM 0 H ALA A 97 -3.321 13.870 1.616 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.064 14.797 -1.097 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.006 16.944 -0.470 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.396 16.563 0.573 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.739 16.322 1.176 1.00 0.00 H new ATOM 1506 N SER A 98 -1.646 14.849 -1.918 1.00 0.00 N ATOM 1507 CA SER A 98 -0.340 14.526 -2.482 1.00 0.00 C ATOM 1508 C SER A 98 0.776 14.865 -1.498 1.00 0.00 C ATOM 1509 O SER A 98 0.522 15.357 -0.400 1.00 0.00 O ATOM 1510 CB SER A 98 -0.127 15.282 -3.794 1.00 0.00 C ATOM 1511 OG SER A 98 -0.061 16.680 -3.572 1.00 0.00 O ATOM 0 H SER A 98 -2.244 15.403 -2.531 1.00 0.00 H new ATOM 0 HA SER A 98 -0.312 13.455 -2.680 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.794 14.942 -4.268 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.942 15.058 -4.483 1.00 0.00 H new ATOM 0 HG SER A 98 0.077 17.141 -4.426 1.00 0.00 H new ATOM 1517 N GLY A 99 2.014 14.599 -1.903 1.00 0.00 N ATOM 1518 CA GLY A 99 3.151 14.881 -1.047 1.00 0.00 C ATOM 1519 C GLY A 99 2.919 14.448 0.387 1.00 0.00 C ATOM 1520 O GLY A 99 3.388 15.097 1.322 1.00 0.00 O ATOM 0 H GLY A 99 2.250 14.193 -2.809 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.032 14.372 -1.439 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.363 15.950 -1.071 1.00 0.00 H new ATOM 1524 N ALA A 100 2.193 13.349 0.562 1.00 0.00 N ATOM 1525 CA ALA A 100 1.900 12.830 1.892 1.00 0.00 C ATOM 1526 C ALA A 100 3.072 12.021 2.436 1.00 0.00 C ATOM 1527 O ALA A 100 4.036 11.748 1.720 1.00 0.00 O ATOM 1528 CB ALA A 100 0.638 11.980 1.861 1.00 0.00 C ATOM 0 H ALA A 100 1.797 12.801 -0.201 1.00 0.00 H new ATOM 0 HA ALA A 100 1.737 13.677 2.558 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.431 11.599 2.861 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.202 12.588 1.523 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.779 11.144 1.176 1.00 0.00 H new ATOM 1534 N VAL A 101 2.983 11.639 3.706 1.00 0.00 N ATOM 1535 CA VAL A 101 4.036 10.860 4.346 1.00 0.00 C ATOM 1536 C VAL A 101 3.451 9.784 5.253 1.00 0.00 C ATOM 1537 O VAL A 101 2.916 10.083 6.322 1.00 0.00 O ATOM 1538 CB VAL A 101 4.975 11.758 5.172 1.00 0.00 C ATOM 1539 CG1 VAL A 101 4.184 12.563 6.192 1.00 0.00 C ATOM 1540 CG2 VAL A 101 6.047 10.922 5.856 1.00 0.00 C ATOM 0 H VAL A 101 2.192 11.857 4.312 1.00 0.00 H new ATOM 0 HA VAL A 101 4.608 10.386 3.548 1.00 0.00 H new ATOM 0 HB VAL A 101 5.468 12.457 4.496 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.865 13.192 6.766 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.458 13.191 5.676 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.662 11.884 6.866 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.702 11.573 6.435 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.575 10.198 6.520 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.633 10.395 5.103 1.00 0.00 H new ATOM 1550 N ILE A 102 3.555 8.532 4.821 1.00 0.00 N ATOM 1551 CA ILE A 102 3.037 7.412 5.596 1.00 0.00 C ATOM 1552 C ILE A 102 4.097 6.861 6.544 1.00 0.00 C ATOM 1553 O ILE A 102 5.082 6.262 6.110 1.00 0.00 O ATOM 1554 CB ILE A 102 2.543 6.275 4.681 1.00 0.00 C ATOM 1555 CG1 ILE A 102 1.584 6.824 3.623 1.00 0.00 C ATOM 1556 CG2 ILE A 102 1.866 5.189 5.504 1.00 0.00 C ATOM 1557 CD1 ILE A 102 0.264 7.297 4.190 1.00 0.00 C ATOM 0 H ILE A 102 3.993 8.268 3.939 1.00 0.00 H new ATOM 0 HA ILE A 102 2.197 7.793 6.176 1.00 0.00 H new ATOM 0 HB ILE A 102 3.403 5.837 4.174 1.00 0.00 H new ATOM 0 HG12 ILE A 102 2.065 7.653 3.104 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.394 6.050 2.880 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.522 4.393 4.844 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.576 4.782 6.224 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.014 5.613 6.035 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.365 7.673 3.383 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.238 6.466 4.684 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.443 8.094 4.912 1.00 0.00 H new ATOM 1569 N HIS A 103 3.889 7.067 7.840 1.00 0.00 N ATOM 1570 CA HIS A 103 4.826 6.589 8.851 1.00 0.00 C ATOM 1571 C HIS A 103 4.698 5.080 9.040 1.00 0.00 C ATOM 1572 O HIS A 103 3.640 4.579 9.420 1.00 0.00 O ATOM 1573 CB HIS A 103 4.583 7.303 10.181 1.00 0.00 C ATOM 1574 CG HIS A 103 4.684 8.795 10.086 1.00 0.00 C ATOM 1575 ND1 HIS A 103 5.716 9.516 10.649 1.00 0.00 N ATOM 1576 CD2 HIS A 103 3.876 9.701 9.489 1.00 0.00 C ATOM 1577 CE1 HIS A 103 5.537 10.802 10.403 1.00 0.00 C ATOM 1578 NE2 HIS A 103 4.427 10.941 9.700 1.00 0.00 N ATOM 0 H HIS A 103 3.080 7.562 8.215 1.00 0.00 H new ATOM 0 HA HIS A 103 5.836 6.811 8.508 1.00 0.00 H new ATOM 0 HB2 HIS A 103 3.593 7.037 10.552 1.00 0.00 H new ATOM 0 HB3 HIS A 103 5.305 6.944 10.914 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.966 9.488 8.947 1.00 0.00 H new ATOM 0 HE1 HIS A 103 6.187 11.603 10.722 1.00 0.00 H new ATOM 0 HE2 HIS A 103 4.042 11.825 9.368 1.00 0.00 H new ATOM 1587 N LEU A 104 5.783 4.362 8.771 1.00 0.00 N ATOM 1588 CA LEU A 104 5.793 2.910 8.911 1.00 0.00 C ATOM 1589 C LEU A 104 6.193 2.501 10.325 1.00 0.00 C ATOM 1590 O LEU A 104 7.146 3.038 10.890 1.00 0.00 O ATOM 1591 CB LEU A 104 6.753 2.287 7.896 1.00 0.00 C ATOM 1592 CG LEU A 104 6.510 0.816 7.557 1.00 0.00 C ATOM 1593 CD1 LEU A 104 7.159 0.459 6.229 1.00 0.00 C ATOM 1594 CD2 LEU A 104 7.035 -0.082 8.668 1.00 0.00 C ATOM 0 H LEU A 104 6.667 4.761 8.455 1.00 0.00 H new ATOM 0 HA LEU A 104 4.784 2.544 8.720 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.700 2.865 6.974 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.769 2.388 8.278 1.00 0.00 H new ATOM 0 HG LEU A 104 5.435 0.658 7.467 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.975 -0.592 6.005 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.735 1.078 5.439 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.233 0.634 6.290 1.00 0.00 H new ATOM 0 HD21 LEU A 104 6.853 -1.125 8.409 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.106 0.080 8.791 1.00 0.00 H new ATOM 0 HD23 LEU A 104 6.522 0.155 9.600 1.00 0.00 H new ATOM 1606 N ALA A 105 5.460 1.547 10.889 1.00 0.00 N ATOM 1607 CA ALA A 105 5.742 1.064 12.235 1.00 0.00 C ATOM 1608 C ALA A 105 5.532 -0.444 12.332 1.00 0.00 C ATOM 1609 O ALA A 105 5.084 -1.081 11.378 1.00 0.00 O ATOM 1610 CB ALA A 105 4.868 1.787 13.249 1.00 0.00 C ATOM 0 H ALA A 105 4.667 1.094 10.435 1.00 0.00 H new ATOM 0 HA ALA A 105 6.788 1.274 12.458 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.089 1.416 14.250 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.070 2.857 13.206 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.818 1.606 13.019 1.00 0.00 H new ATOM 1616 N LEU A 106 5.859 -1.009 13.489 1.00 0.00 N ATOM 1617 CA LEU A 106 5.706 -2.442 13.711 1.00 0.00 C ATOM 1618 C LEU A 106 4.674 -2.719 14.799 1.00 0.00 C ATOM 1619 O LEU A 106 4.753 -2.169 15.898 1.00 0.00 O ATOM 1620 CB LEU A 106 7.050 -3.065 14.096 1.00 0.00 C ATOM 1621 CG LEU A 106 6.983 -4.398 14.842 1.00 0.00 C ATOM 1622 CD1 LEU A 106 6.374 -5.474 13.957 1.00 0.00 C ATOM 1623 CD2 LEU A 106 8.368 -4.814 15.315 1.00 0.00 C ATOM 0 H LEU A 106 6.232 -0.496 14.288 1.00 0.00 H new ATOM 0 HA LEU A 106 5.356 -2.892 12.782 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.634 -3.209 13.187 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.594 -2.352 14.715 1.00 0.00 H new ATOM 0 HG LEU A 106 6.345 -4.272 15.717 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.334 -6.416 14.504 1.00 0.00 H new ATOM 0 HD12 LEU A 106 5.365 -5.179 13.668 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.985 -5.599 13.063 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.302 -5.765 15.844 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.029 -4.923 14.455 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.767 -4.053 15.985 1.00 0.00 H new ATOM 1635 N LYS A 107 3.708 -3.575 14.487 1.00 0.00 N ATOM 1636 CA LYS A 107 2.661 -3.928 15.439 1.00 0.00 C ATOM 1637 C LYS A 107 3.216 -4.805 16.557 1.00 0.00 C ATOM 1638 O LYS A 107 3.962 -5.750 16.305 1.00 0.00 O ATOM 1639 CB LYS A 107 1.519 -4.656 14.726 1.00 0.00 C ATOM 1640 CG LYS A 107 0.226 -4.685 15.522 1.00 0.00 C ATOM 1641 CD LYS A 107 -0.965 -5.021 14.640 1.00 0.00 C ATOM 1642 CE LYS A 107 -2.241 -5.161 15.455 1.00 0.00 C ATOM 1643 NZ LYS A 107 -3.309 -5.870 14.697 1.00 0.00 N ATOM 0 H LYS A 107 3.628 -4.038 13.582 1.00 0.00 H new ATOM 0 HA LYS A 107 2.279 -3.007 15.878 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.334 -4.173 13.766 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.828 -5.679 14.514 1.00 0.00 H new ATOM 0 HG2 LYS A 107 0.307 -5.421 16.322 1.00 0.00 H new ATOM 0 HG3 LYS A 107 0.067 -3.716 15.995 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.095 -4.241 13.890 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -0.771 -5.950 14.104 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -2.026 -5.705 16.375 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.597 -4.172 15.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.162 -5.945 15.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.532 -5.338 13.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -2.980 -6.823 14.442 1.00 0.00 H new