USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 636 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 111 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 121 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 84 MET CE :methyl 167:sc= -4.88! (180deg=-4.17!) USER MOD Set 2.2: A 88 ASN : amide:sc= -14.8! C(o=-20!,f=-23!) USER MOD Set 3.1: A 82 SER OG : rot 115:sc= -3.22! USER MOD Set 3.2: A 102 MET CE :methyl -156:sc= -3.88! (180deg=-2.81) USER MOD Single : A 33 CYS SG : rot -24:sc= 0.233 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 166:sc= -8.68! (180deg=-9.16!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.879 K(o=-0.88,f=-2.2!) USER MOD Single : A 49 LYS NZ :NH3+ -147:sc= -0.131 (180deg=-0.695) USER MOD Single : A 53 THR OG1 : rot 85:sc= 0.0242 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 80:sc= 0.799 USER MOD Single : A 73 ASN : amide:sc= 0.476 K(o=0.48,f=-1) USER MOD Single : A 74 GLN : amide:sc= -7.9! C(o=-7.9!,f=-12!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.217 X(o=0.22,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 161:sc= -0.0268 (180deg=-0.373) USER MOD Single : A 85 MET CE :methyl -111:sc= -3.8! (180deg=-7.19!) USER MOD Single : A 86 GLN : amide:sc= -5.89! C(o=-5.9!,f=-11!) USER MOD Single : A 90 THR OG1 : rot 104:sc= 0.161 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.227 K(o=-0.23,f=-1.3!) USER MOD Single : A 113 GLN : amide:sc= -0.58 K(o=-0.58,f=-0.029) USER MOD Single : A 115 ASN : amide:sc= -3.26! K(o=-3.3!,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 135 N CYS A 33 -11.839 1.492 4.878 1.00 0.00 N ATOM 136 CA CYS A 33 -10.976 2.661 4.913 1.00 0.00 C ATOM 137 C CYS A 33 -10.420 2.890 3.506 1.00 0.00 C ATOM 138 O CYS A 33 -9.933 3.977 3.196 1.00 0.00 O ATOM 139 CB CYS A 33 -9.860 2.509 5.950 1.00 0.00 C ATOM 140 SG CYS A 33 -8.743 3.956 5.883 1.00 0.00 S ATOM 0 HA CYS A 33 -11.553 3.533 5.221 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -10.289 2.416 6.948 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -9.297 1.595 5.759 1.00 0.00 H new ATOM 0 HG CYS A 33 -8.809 4.501 4.705 1.00 0.00 H new ATOM 145 N LEU A 34 -10.509 1.848 2.692 1.00 0.00 N ATOM 146 CA LEU A 34 -10.021 1.923 1.325 1.00 0.00 C ATOM 147 C LEU A 34 -10.870 2.923 0.539 1.00 0.00 C ATOM 148 O LEU A 34 -10.511 3.308 -0.573 1.00 0.00 O ATOM 149 CB LEU A 34 -9.973 0.529 0.697 1.00 0.00 C ATOM 150 CG LEU A 34 -9.327 -0.568 1.546 1.00 0.00 C ATOM 151 CD1 LEU A 34 -8.765 -1.685 0.664 1.00 0.00 C ATOM 152 CD2 LEU A 34 -8.264 0.016 2.478 1.00 0.00 C ATOM 0 H LEU A 34 -10.912 0.948 2.953 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.995 2.292 1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.992 0.224 0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.432 0.596 -0.247 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.098 -1.012 2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.312 -2.452 1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.571 -2.126 0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.011 -1.274 -0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.820 -0.784 3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.489 0.502 1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.725 0.747 3.143 1.00 0.00 H new ATOM 163 N GLU A 35 -11.979 3.316 1.146 1.00 0.00 N ATOM 164 CA GLU A 35 -12.883 4.264 0.517 1.00 0.00 C ATOM 165 C GLU A 35 -12.579 5.684 0.997 1.00 0.00 C ATOM 166 O GLU A 35 -13.464 6.541 1.013 1.00 0.00 O ATOM 167 CB GLU A 35 -14.342 3.894 0.787 1.00 0.00 C ATOM 168 CG GLU A 35 -14.555 2.384 0.668 1.00 0.00 C ATOM 169 CD GLU A 35 -15.878 2.070 -0.034 1.00 0.00 C ATOM 170 OE1 GLU A 35 -16.263 2.879 -0.906 1.00 0.00 O ATOM 171 OE2 GLU A 35 -16.473 1.028 0.317 1.00 0.00 O ATOM 0 H GLU A 35 -12.273 2.995 2.068 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.727 4.224 -0.561 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.627 4.228 1.785 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -14.989 4.413 0.080 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.730 1.940 0.112 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.550 1.933 1.660 1.00 0.00 H new ATOM 176 N LYS A 36 -11.327 5.892 1.378 1.00 0.00 N ATOM 177 CA LYS A 36 -10.897 7.195 1.857 1.00 0.00 C ATOM 178 C LYS A 36 -10.228 7.960 0.713 1.00 0.00 C ATOM 179 O LYS A 36 -9.909 9.139 0.854 1.00 0.00 O ATOM 180 CB LYS A 36 -10.011 7.043 3.096 1.00 0.00 C ATOM 181 CG LYS A 36 -10.854 6.762 4.341 1.00 0.00 C ATOM 182 CD LYS A 36 -10.835 7.956 5.298 1.00 0.00 C ATOM 183 CE LYS A 36 -10.788 7.490 6.755 1.00 0.00 C ATOM 184 NZ LYS A 36 -9.703 8.184 7.485 1.00 0.00 N ATOM 0 H LYS A 36 -10.597 5.180 1.365 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.755 7.786 2.176 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.301 6.231 2.942 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.428 7.952 3.245 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.881 6.543 4.047 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.473 5.877 4.850 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.970 8.584 5.085 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.721 8.570 5.137 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.745 7.689 7.238 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.629 6.412 6.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.684 7.857 8.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.790 7.973 7.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.871 9.210 7.464 1.00 0.00 H new ATOM 194 N LYS A 37 -10.038 7.257 -0.394 1.00 0.00 N ATOM 195 CA LYS A 37 -9.414 7.855 -1.562 1.00 0.00 C ATOM 196 C LYS A 37 -8.072 8.470 -1.158 1.00 0.00 C ATOM 197 O LYS A 37 -7.723 8.491 0.021 1.00 0.00 O ATOM 198 CB LYS A 37 -10.368 8.846 -2.230 1.00 0.00 C ATOM 199 CG LYS A 37 -11.544 8.118 -2.885 1.00 0.00 C ATOM 200 CD LYS A 37 -12.847 8.395 -2.131 1.00 0.00 C ATOM 201 CE LYS A 37 -13.959 8.815 -3.095 1.00 0.00 C ATOM 202 NZ LYS A 37 -15.087 9.420 -2.353 1.00 0.00 N ATOM 0 H LYS A 37 -10.305 6.279 -0.507 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.204 7.094 -2.314 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.741 9.553 -1.489 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.830 9.425 -2.981 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.644 8.439 -3.922 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.349 7.046 -2.901 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.152 7.503 -1.585 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.685 9.181 -1.393 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.569 9.529 -3.821 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.308 7.948 -3.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.833 9.699 -3.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.469 8.728 -1.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.753 10.259 -1.837 1.00 0.00 H new ATOM 212 N VAL A 38 -7.355 8.957 -2.161 1.00 0.00 N ATOM 213 CA VAL A 38 -6.059 9.571 -1.925 1.00 0.00 C ATOM 214 C VAL A 38 -5.757 10.562 -3.052 1.00 0.00 C ATOM 215 O VAL A 38 -6.659 10.972 -3.780 1.00 0.00 O ATOM 216 CB VAL A 38 -4.987 8.490 -1.778 1.00 0.00 C ATOM 217 CG1 VAL A 38 -5.348 7.508 -0.661 1.00 0.00 C ATOM 218 CG2 VAL A 38 -4.763 7.755 -3.102 1.00 0.00 C ATOM 0 H VAL A 38 -7.647 8.939 -3.138 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.067 10.132 -0.991 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.053 8.981 -1.505 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.569 6.750 -0.578 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.433 8.046 0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.299 7.028 -0.892 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.996 6.992 -2.969 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.693 7.283 -3.418 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.440 8.466 -3.863 1.00 0.00 H new ATOM 228 N ASP A 39 -4.486 10.919 -3.158 1.00 0.00 N ATOM 229 CA ASP A 39 -4.055 11.854 -4.182 1.00 0.00 C ATOM 230 C ASP A 39 -2.526 11.873 -4.238 1.00 0.00 C ATOM 231 O ASP A 39 -1.883 12.617 -3.498 1.00 0.00 O ATOM 232 CB ASP A 39 -4.534 13.273 -3.870 1.00 0.00 C ATOM 233 CG ASP A 39 -5.108 14.038 -5.064 1.00 0.00 C ATOM 234 OD1 ASP A 39 -4.634 13.773 -6.189 1.00 0.00 O ATOM 235 OD2 ASP A 39 -6.007 14.873 -4.823 1.00 0.00 O ATOM 0 H ASP A 39 -3.741 10.577 -2.551 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.479 11.531 -5.133 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.295 13.221 -3.091 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.698 13.841 -3.461 1.00 0.00 H new ATOM 239 N MET A 40 -1.987 11.047 -5.122 1.00 0.00 N ATOM 240 CA MET A 40 -0.545 10.960 -5.284 1.00 0.00 C ATOM 241 C MET A 40 0.039 12.303 -5.725 1.00 0.00 C ATOM 242 O MET A 40 1.213 12.582 -5.487 1.00 0.00 O ATOM 243 CB MET A 40 -0.212 9.891 -6.326 1.00 0.00 C ATOM 244 CG MET A 40 -0.820 8.541 -5.941 1.00 0.00 C ATOM 245 SD MET A 40 0.166 7.768 -4.671 1.00 0.00 S ATOM 246 CE MET A 40 -0.477 8.602 -3.229 1.00 0.00 C ATOM 0 H MET A 40 -2.523 10.432 -5.734 1.00 0.00 H new ATOM 0 HA MET A 40 -0.106 10.692 -4.323 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.589 10.199 -7.301 1.00 0.00 H new ATOM 0 HB3 MET A 40 0.870 9.793 -6.419 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.841 8.681 -5.586 1.00 0.00 H new ATOM 0 HG3 MET A 40 -0.873 7.894 -6.816 1.00 0.00 H new ATOM 0 HE1 MET A 40 -0.158 8.074 -2.331 1.00 0.00 H new ATOM 0 HE2 MET A 40 -0.101 9.625 -3.202 1.00 0.00 H new ATOM 0 HE3 MET A 40 -1.566 8.617 -3.273 1.00 0.00 H new ATOM 254 N SER A 41 -0.808 13.101 -6.359 1.00 0.00 N ATOM 255 CA SER A 41 -0.390 14.410 -6.835 1.00 0.00 C ATOM 256 C SER A 41 -0.227 15.368 -5.655 1.00 0.00 C ATOM 257 O SER A 41 0.240 16.494 -5.825 1.00 0.00 O ATOM 258 CB SER A 41 -1.391 14.974 -7.845 1.00 0.00 C ATOM 259 OG SER A 41 -0.795 15.938 -8.706 1.00 0.00 O ATOM 0 H SER A 41 -1.781 12.867 -6.554 1.00 0.00 H new ATOM 0 HA SER A 41 0.570 14.301 -7.340 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.801 14.160 -8.442 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.225 15.430 -7.312 1.00 0.00 H new ATOM 0 HG SER A 41 -1.466 16.273 -9.337 1.00 0.00 H new ATOM 264 N LYS A 42 -0.622 14.889 -4.485 1.00 0.00 N ATOM 265 CA LYS A 42 -0.525 15.690 -3.276 1.00 0.00 C ATOM 266 C LYS A 42 0.427 15.008 -2.292 1.00 0.00 C ATOM 267 O LYS A 42 1.196 15.677 -1.604 1.00 0.00 O ATOM 268 CB LYS A 42 -1.917 15.958 -2.699 1.00 0.00 C ATOM 269 CG LYS A 42 -2.943 16.164 -3.816 1.00 0.00 C ATOM 270 CD LYS A 42 -2.741 17.516 -4.504 1.00 0.00 C ATOM 271 CE LYS A 42 -3.150 17.447 -5.977 1.00 0.00 C ATOM 272 NZ LYS A 42 -3.848 18.689 -6.379 1.00 0.00 N ATOM 0 H LYS A 42 -1.010 13.956 -4.348 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.103 16.670 -3.501 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.221 15.121 -2.070 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.886 16.841 -2.061 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.854 15.362 -4.549 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.951 16.109 -3.404 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.330 18.279 -3.995 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.696 17.815 -4.427 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.267 17.301 -6.599 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.801 16.588 -6.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.119 18.626 -7.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.701 18.812 -5.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.215 19.503 -6.242 1.00 0.00 H new ATOM 282 N VAL A 43 0.344 13.687 -2.256 1.00 0.00 N ATOM 283 CA VAL A 43 1.189 12.907 -1.368 1.00 0.00 C ATOM 284 C VAL A 43 2.252 12.178 -2.192 1.00 0.00 C ATOM 285 O VAL A 43 2.038 11.884 -3.367 1.00 0.00 O ATOM 286 CB VAL A 43 0.331 11.960 -0.527 1.00 0.00 C ATOM 287 CG1 VAL A 43 -1.035 11.734 -1.179 1.00 0.00 C ATOM 288 CG2 VAL A 43 1.051 10.632 -0.289 1.00 0.00 C ATOM 0 H VAL A 43 -0.296 13.136 -2.828 1.00 0.00 H new ATOM 0 HA VAL A 43 1.711 13.559 -0.668 1.00 0.00 H new ATOM 0 HB VAL A 43 0.167 12.429 0.443 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.625 11.057 -0.561 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.556 12.687 -1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.898 11.296 -2.168 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.419 9.978 0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.261 10.155 -1.246 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.987 10.815 0.238 1.00 0.00 H new ATOM 298 N ASN A 44 3.374 11.906 -1.543 1.00 0.00 N ATOM 299 CA ASN A 44 4.471 11.217 -2.200 1.00 0.00 C ATOM 300 C ASN A 44 4.334 9.711 -1.969 1.00 0.00 C ATOM 301 O ASN A 44 4.287 9.256 -0.827 1.00 0.00 O ATOM 302 CB ASN A 44 5.821 11.661 -1.633 1.00 0.00 C ATOM 303 CG ASN A 44 6.357 12.881 -2.384 1.00 0.00 C ATOM 304 OD1 ASN A 44 5.817 13.310 -3.391 1.00 0.00 O ATOM 305 ND2 ASN A 44 7.447 13.416 -1.839 1.00 0.00 N ATOM 0 H ASN A 44 3.547 12.151 -0.568 1.00 0.00 H new ATOM 0 HA ASN A 44 4.430 11.457 -3.262 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.714 11.899 -0.575 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.537 10.842 -1.705 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.881 14.235 -2.265 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.848 13.007 -0.995 1.00 0.00 H new ATOM 311 N LEU A 45 4.273 8.978 -3.071 1.00 0.00 N ATOM 312 CA LEU A 45 4.141 7.533 -3.003 1.00 0.00 C ATOM 313 C LEU A 45 5.533 6.901 -2.932 1.00 0.00 C ATOM 314 O LEU A 45 5.685 5.778 -2.455 1.00 0.00 O ATOM 315 CB LEU A 45 3.290 7.017 -4.164 1.00 0.00 C ATOM 316 CG LEU A 45 4.051 6.334 -5.303 1.00 0.00 C ATOM 317 CD1 LEU A 45 5.233 7.190 -5.762 1.00 0.00 C ATOM 318 CD2 LEU A 45 4.488 4.923 -4.903 1.00 0.00 C ATOM 0 H LEU A 45 4.313 9.358 -4.017 1.00 0.00 H new ATOM 0 HA LEU A 45 3.611 7.241 -2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.560 6.312 -3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.731 7.855 -4.579 1.00 0.00 H new ATOM 0 HG LEU A 45 3.375 6.233 -6.152 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.757 6.682 -6.572 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.868 8.155 -6.114 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.917 7.343 -4.927 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.026 4.461 -5.730 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.140 4.977 -4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.609 4.325 -4.662 1.00 0.00 H new ATOM 329 N GLU A 46 6.513 7.651 -3.414 1.00 0.00 N ATOM 330 CA GLU A 46 7.887 7.178 -3.412 1.00 0.00 C ATOM 331 C GLU A 46 8.346 6.887 -1.981 1.00 0.00 C ATOM 332 O GLU A 46 9.059 5.914 -1.740 1.00 0.00 O ATOM 333 CB GLU A 46 8.816 8.188 -4.090 1.00 0.00 C ATOM 334 CG GLU A 46 9.364 7.630 -5.405 1.00 0.00 C ATOM 335 CD GLU A 46 10.237 8.665 -6.117 1.00 0.00 C ATOM 336 OE1 GLU A 46 9.654 9.495 -6.848 1.00 0.00 O ATOM 337 OE2 GLU A 46 11.469 8.603 -5.915 1.00 0.00 O ATOM 0 H GLU A 46 6.383 8.583 -3.808 1.00 0.00 H new ATOM 0 HA GLU A 46 7.932 6.251 -3.984 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.275 9.115 -4.281 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.642 8.433 -3.422 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.947 6.731 -5.208 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.538 7.338 -6.053 1.00 0.00 H new ATOM 342 N VAL A 47 7.919 7.749 -1.071 1.00 0.00 N ATOM 343 CA VAL A 47 8.277 7.596 0.329 1.00 0.00 C ATOM 344 C VAL A 47 7.554 6.377 0.906 1.00 0.00 C ATOM 345 O VAL A 47 7.801 5.988 2.048 1.00 0.00 O ATOM 346 CB VAL A 47 7.972 8.888 1.092 1.00 0.00 C ATOM 347 CG1 VAL A 47 8.937 10.004 0.688 1.00 0.00 C ATOM 348 CG2 VAL A 47 6.518 9.318 0.882 1.00 0.00 C ATOM 0 H VAL A 47 7.329 8.555 -1.275 1.00 0.00 H new ATOM 0 HA VAL A 47 9.347 7.418 0.432 1.00 0.00 H new ATOM 0 HB VAL A 47 8.114 8.691 2.155 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.698 10.910 1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 47 9.959 9.699 0.911 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.842 10.198 -0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.327 10.238 1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.339 9.488 -0.180 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.851 8.534 1.241 1.00 0.00 H new ATOM 358 N ILE A 48 6.677 5.809 0.093 1.00 0.00 N ATOM 359 CA ILE A 48 5.918 4.642 0.507 1.00 0.00 C ATOM 360 C ILE A 48 6.389 3.423 -0.287 1.00 0.00 C ATOM 361 O ILE A 48 5.875 2.321 -0.103 1.00 0.00 O ATOM 362 CB ILE A 48 4.416 4.910 0.389 1.00 0.00 C ATOM 363 CG1 ILE A 48 4.131 6.413 0.327 1.00 0.00 C ATOM 364 CG2 ILE A 48 3.646 4.227 1.520 1.00 0.00 C ATOM 365 CD1 ILE A 48 4.310 7.062 1.701 1.00 0.00 C ATOM 0 H ILE A 48 6.475 6.136 -0.852 1.00 0.00 H new ATOM 0 HA ILE A 48 6.098 4.425 1.560 1.00 0.00 H new ATOM 0 HB ILE A 48 4.064 4.476 -0.547 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.801 6.884 -0.392 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.114 6.580 -0.028 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.581 4.434 1.412 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.813 3.151 1.476 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.994 4.609 2.480 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.102 8.129 1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.622 6.605 2.412 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.335 6.915 2.042 1.00 0.00 H new ATOM 376 N LYS A 49 7.361 3.661 -1.155 1.00 0.00 N ATOM 377 CA LYS A 49 7.908 2.596 -1.978 1.00 0.00 C ATOM 378 C LYS A 49 8.626 1.584 -1.085 1.00 0.00 C ATOM 379 O LYS A 49 8.451 0.377 -1.243 1.00 0.00 O ATOM 380 CB LYS A 49 8.792 3.175 -3.085 1.00 0.00 C ATOM 381 CG LYS A 49 7.953 3.925 -4.121 1.00 0.00 C ATOM 382 CD LYS A 49 7.222 2.949 -5.045 1.00 0.00 C ATOM 383 CE LYS A 49 7.896 2.883 -6.417 1.00 0.00 C ATOM 384 NZ LYS A 49 7.829 4.199 -7.091 1.00 0.00 N ATOM 0 H LYS A 49 7.784 4.577 -1.306 1.00 0.00 H new ATOM 0 HA LYS A 49 7.108 2.060 -2.488 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.529 3.851 -2.651 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.344 2.371 -3.572 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.229 4.563 -3.615 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.596 4.578 -4.711 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.209 1.957 -4.594 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.184 3.260 -5.161 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.936 2.579 -6.303 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.408 2.127 -7.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.748 4.059 -8.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.000 4.724 -6.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.692 4.740 -6.882 1.00 0.00 H new ATOM 394 N PRO A 50 9.439 2.126 -0.139 1.00 0.00 N ATOM 395 CA PRO A 50 10.184 1.284 0.781 1.00 0.00 C ATOM 396 C PRO A 50 9.265 0.700 1.856 1.00 0.00 C ATOM 397 O PRO A 50 9.526 -0.381 2.380 1.00 0.00 O ATOM 398 CB PRO A 50 11.268 2.184 1.350 1.00 0.00 C ATOM 399 CG PRO A 50 10.807 3.608 1.085 1.00 0.00 C ATOM 400 CD PRO A 50 9.670 3.551 0.079 1.00 0.00 C ATOM 0 HA PRO A 50 10.624 0.415 0.293 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.401 2.009 2.418 1.00 0.00 H new ATOM 0 HB3 PRO A 50 12.228 1.989 0.873 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.475 4.080 2.010 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.629 4.209 0.698 1.00 0.00 H new ATOM 0 HD2 PRO A 50 8.776 4.043 0.463 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.937 4.055 -0.850 1.00 0.00 H new ATOM 405 N TRP A 51 8.209 1.442 2.154 1.00 0.00 N ATOM 406 CA TRP A 51 7.250 1.013 3.157 1.00 0.00 C ATOM 407 C TRP A 51 6.428 -0.133 2.565 1.00 0.00 C ATOM 408 O TRP A 51 6.239 -1.164 3.209 1.00 0.00 O ATOM 409 CB TRP A 51 6.389 2.185 3.630 1.00 0.00 C ATOM 410 CG TRP A 51 5.464 1.845 4.801 1.00 0.00 C ATOM 411 CD1 TRP A 51 5.652 2.102 6.102 1.00 0.00 C ATOM 412 CD2 TRP A 51 4.191 1.171 4.723 1.00 0.00 C ATOM 413 NE1 TRP A 51 4.598 1.645 6.866 1.00 0.00 N ATOM 414 CE2 TRP A 51 3.681 1.061 6.000 1.00 0.00 C ATOM 415 CE3 TRP A 51 3.493 0.671 3.610 1.00 0.00 C ATOM 416 CZ2 TRP A 51 2.452 0.454 6.286 1.00 0.00 C ATOM 417 CZ3 TRP A 51 2.266 0.068 3.911 1.00 0.00 C ATOM 418 CH2 TRP A 51 1.739 -0.051 5.192 1.00 0.00 C ATOM 0 H TRP A 51 7.996 2.339 1.718 1.00 0.00 H new ATOM 0 HA TRP A 51 7.761 0.650 4.049 1.00 0.00 H new ATOM 0 HB2 TRP A 51 7.042 3.007 3.923 1.00 0.00 H new ATOM 0 HB3 TRP A 51 5.785 2.539 2.795 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.520 2.604 6.503 1.00 0.00 H new ATOM 0 HE1 TRP A 51 4.508 1.722 7.879 1.00 0.00 H new ATOM 0 HE3 TRP A 51 3.873 0.746 2.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 2.075 0.379 7.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.689 -0.333 3.091 1.00 0.00 H new ATOM 0 HH2 TRP A 51 0.783 -0.531 5.343 1.00 0.00 H new ATOM 428 N ILE A 52 5.960 0.085 1.344 1.00 0.00 N ATOM 429 CA ILE A 52 5.162 -0.916 0.659 1.00 0.00 C ATOM 430 C ILE A 52 6.018 -2.160 0.407 1.00 0.00 C ATOM 431 O ILE A 52 5.613 -3.273 0.738 1.00 0.00 O ATOM 432 CB ILE A 52 4.542 -0.329 -0.611 1.00 0.00 C ATOM 433 CG1 ILE A 52 3.188 0.317 -0.312 1.00 0.00 C ATOM 434 CG2 ILE A 52 4.441 -1.387 -1.711 1.00 0.00 C ATOM 435 CD1 ILE A 52 3.175 1.786 -0.741 1.00 0.00 C ATOM 0 H ILE A 52 6.119 0.941 0.812 1.00 0.00 H new ATOM 0 HA ILE A 52 4.323 -1.226 1.282 1.00 0.00 H new ATOM 0 HB ILE A 52 5.200 0.458 -0.980 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.399 -0.225 -0.834 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.974 0.244 0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.997 -0.944 -2.602 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.437 -1.761 -1.949 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.817 -2.212 -1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.201 2.222 -0.517 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.949 2.330 -0.200 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.366 1.854 -1.812 1.00 0.00 H new ATOM 446 N THR A 53 7.184 -1.927 -0.175 1.00 0.00 N ATOM 447 CA THR A 53 8.101 -3.015 -0.475 1.00 0.00 C ATOM 448 C THR A 53 8.484 -3.758 0.806 1.00 0.00 C ATOM 449 O THR A 53 8.594 -4.983 0.808 1.00 0.00 O ATOM 450 CB THR A 53 9.302 -2.429 -1.220 1.00 0.00 C ATOM 451 OG1 THR A 53 8.787 -2.100 -2.506 1.00 0.00 O ATOM 452 CG2 THR A 53 10.380 -3.476 -1.506 1.00 0.00 C ATOM 0 H THR A 53 7.516 -1.002 -0.447 1.00 0.00 H new ATOM 0 HA THR A 53 7.633 -3.761 -1.118 1.00 0.00 H new ATOM 0 HB THR A 53 9.731 -1.616 -0.634 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.371 -1.213 -2.475 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.210 -3.008 -2.036 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.740 -3.894 -0.566 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.960 -4.272 -2.120 1.00 0.00 H new ATOM 460 N LYS A 54 8.674 -2.985 1.865 1.00 0.00 N ATOM 461 CA LYS A 54 9.042 -3.555 3.151 1.00 0.00 C ATOM 462 C LYS A 54 7.834 -4.279 3.747 1.00 0.00 C ATOM 463 O LYS A 54 7.984 -5.303 4.412 1.00 0.00 O ATOM 464 CB LYS A 54 9.629 -2.479 4.066 1.00 0.00 C ATOM 465 CG LYS A 54 9.941 -3.048 5.452 1.00 0.00 C ATOM 466 CD LYS A 54 9.969 -1.941 6.507 1.00 0.00 C ATOM 467 CE LYS A 54 10.675 -2.412 7.779 1.00 0.00 C ATOM 468 NZ LYS A 54 10.668 -1.343 8.802 1.00 0.00 N ATOM 0 H LYS A 54 8.580 -1.969 1.859 1.00 0.00 H new ATOM 0 HA LYS A 54 9.830 -4.298 3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.539 -2.075 3.622 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.925 -1.652 4.159 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.191 -3.792 5.721 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.904 -3.559 5.431 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.480 -1.065 6.107 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.950 -1.635 6.745 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.179 -3.300 8.170 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.702 -2.696 7.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.151 -1.680 9.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.162 -0.506 8.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.686 -1.091 9.035 1.00 0.00 H new ATOM 478 N ARG A 55 6.662 -3.718 3.489 1.00 0.00 N ATOM 479 CA ARG A 55 5.427 -4.296 3.992 1.00 0.00 C ATOM 480 C ARG A 55 5.086 -5.572 3.220 1.00 0.00 C ATOM 481 O ARG A 55 4.815 -6.611 3.820 1.00 0.00 O ATOM 482 CB ARG A 55 4.266 -3.308 3.871 1.00 0.00 C ATOM 483 CG ARG A 55 4.072 -2.527 5.172 1.00 0.00 C ATOM 484 CD ARG A 55 3.488 -3.422 6.267 1.00 0.00 C ATOM 485 NE ARG A 55 3.388 -2.669 7.538 1.00 0.00 N ATOM 486 CZ ARG A 55 3.197 -3.238 8.735 1.00 0.00 C ATOM 487 NH1 ARG A 55 3.084 -4.570 8.834 1.00 0.00 N ATOM 488 NH2 ARG A 55 3.119 -2.476 9.835 1.00 0.00 N ATOM 0 H ARG A 55 6.541 -2.868 2.938 1.00 0.00 H new ATOM 0 HA ARG A 55 5.577 -4.533 5.045 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.458 -2.615 3.052 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.350 -3.846 3.626 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.028 -2.120 5.502 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.408 -1.681 4.997 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.503 -3.780 5.968 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.118 -4.301 6.404 1.00 0.00 H new ATOM 0 HE ARG A 55 3.470 -1.653 7.499 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.144 -5.150 7.997 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.939 -5.003 9.746 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.205 -1.462 9.760 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.973 -2.910 10.747 1.00 0.00 H new ATOM 499 N VAL A 56 5.109 -5.451 1.901 1.00 0.00 N ATOM 500 CA VAL A 56 4.804 -6.582 1.040 1.00 0.00 C ATOM 501 C VAL A 56 5.818 -7.699 1.296 1.00 0.00 C ATOM 502 O VAL A 56 5.441 -8.858 1.462 1.00 0.00 O ATOM 503 CB VAL A 56 4.766 -6.132 -0.421 1.00 0.00 C ATOM 504 CG1 VAL A 56 3.623 -5.143 -0.661 1.00 0.00 C ATOM 505 CG2 VAL A 56 6.109 -5.532 -0.845 1.00 0.00 C ATOM 0 H VAL A 56 5.334 -4.587 1.407 1.00 0.00 H new ATOM 0 HA VAL A 56 3.816 -6.981 1.268 1.00 0.00 H new ATOM 0 HB VAL A 56 4.582 -7.012 -1.038 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.619 -4.839 -1.708 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.673 -5.619 -0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.762 -4.266 -0.029 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.055 -5.220 -1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.336 -4.669 -0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.894 -6.279 -0.730 1.00 0.00 H new ATOM 515 N THR A 57 7.084 -7.311 1.319 1.00 0.00 N ATOM 516 CA THR A 57 8.156 -8.265 1.552 1.00 0.00 C ATOM 517 C THR A 57 7.987 -8.933 2.919 1.00 0.00 C ATOM 518 O THR A 57 8.187 -10.139 3.053 1.00 0.00 O ATOM 519 CB THR A 57 9.488 -7.529 1.394 1.00 0.00 C ATOM 520 OG1 THR A 57 9.461 -7.047 0.054 1.00 0.00 O ATOM 521 CG2 THR A 57 10.688 -8.478 1.425 1.00 0.00 C ATOM 0 H THR A 57 7.392 -6.349 1.180 1.00 0.00 H new ATOM 0 HA THR A 57 8.130 -9.076 0.824 1.00 0.00 H new ATOM 0 HB THR A 57 9.590 -6.789 2.187 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.917 -6.233 0.010 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.608 -7.905 1.309 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.708 -9.008 2.377 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.604 -9.198 0.611 1.00 0.00 H new ATOM 529 N GLU A 58 7.623 -8.119 3.898 1.00 0.00 N ATOM 530 CA GLU A 58 7.427 -8.614 5.249 1.00 0.00 C ATOM 531 C GLU A 58 6.128 -9.420 5.336 1.00 0.00 C ATOM 532 O GLU A 58 6.016 -10.337 6.147 1.00 0.00 O ATOM 533 CB GLU A 58 7.427 -7.466 6.260 1.00 0.00 C ATOM 534 CG GLU A 58 8.855 -7.088 6.660 1.00 0.00 C ATOM 535 CD GLU A 58 8.934 -6.739 8.147 1.00 0.00 C ATOM 536 OE1 GLU A 58 8.642 -5.567 8.472 1.00 0.00 O ATOM 537 OE2 GLU A 58 9.284 -7.650 8.927 1.00 0.00 O ATOM 0 H GLU A 58 7.459 -7.119 3.782 1.00 0.00 H new ATOM 0 HA GLU A 58 8.259 -9.273 5.497 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.924 -6.599 5.831 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.862 -7.757 7.146 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.529 -7.916 6.441 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.190 -6.238 6.065 1.00 0.00 H new ATOM 542 N ILE A 59 5.181 -9.048 4.487 1.00 0.00 N ATOM 543 CA ILE A 59 3.896 -9.725 4.457 1.00 0.00 C ATOM 544 C ILE A 59 4.115 -11.217 4.196 1.00 0.00 C ATOM 545 O ILE A 59 3.553 -12.060 4.891 1.00 0.00 O ATOM 546 CB ILE A 59 2.961 -9.055 3.448 1.00 0.00 C ATOM 547 CG1 ILE A 59 2.312 -7.806 4.047 1.00 0.00 C ATOM 548 CG2 ILE A 59 1.922 -10.046 2.922 1.00 0.00 C ATOM 549 CD1 ILE A 59 1.957 -6.794 2.955 1.00 0.00 C ATOM 0 H ILE A 59 5.278 -8.287 3.815 1.00 0.00 H new ATOM 0 HA ILE A 59 3.399 -9.640 5.423 1.00 0.00 H new ATOM 0 HB ILE A 59 3.556 -8.730 2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.412 -8.087 4.594 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.992 -7.348 4.765 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.270 -9.544 2.207 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.428 -10.877 2.431 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.326 -10.424 3.753 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.497 -5.916 3.408 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.862 -6.497 2.426 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.258 -7.247 2.252 1.00 0.00 H new ATOM 560 N LEU A 60 4.934 -11.495 3.193 1.00 0.00 N ATOM 561 CA LEU A 60 5.235 -12.869 2.832 1.00 0.00 C ATOM 562 C LEU A 60 6.587 -13.265 3.429 1.00 0.00 C ATOM 563 O LEU A 60 6.718 -14.335 4.022 1.00 0.00 O ATOM 564 CB LEU A 60 5.155 -13.056 1.315 1.00 0.00 C ATOM 565 CG LEU A 60 4.857 -11.795 0.500 1.00 0.00 C ATOM 566 CD1 LEU A 60 6.148 -11.052 0.148 1.00 0.00 C ATOM 567 CD2 LEU A 60 4.030 -12.129 -0.743 1.00 0.00 C ATOM 0 H LEU A 60 5.399 -10.792 2.619 1.00 0.00 H new ATOM 0 HA LEU A 60 4.490 -13.544 3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.101 -13.473 0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.383 -13.795 1.100 1.00 0.00 H new ATOM 0 HG LEU A 60 4.257 -11.124 1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.908 -10.160 -0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.662 -10.762 1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.794 -11.704 -0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.832 -11.216 -1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.583 -12.828 -1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.085 -12.581 -0.441 1.00 0.00 H new ATOM 578 N GLY A 61 7.558 -12.382 3.252 1.00 0.00 N ATOM 579 CA GLY A 61 8.894 -12.624 3.766 1.00 0.00 C ATOM 580 C GLY A 61 9.939 -12.511 2.653 1.00 0.00 C ATOM 581 O GLY A 61 11.139 -12.545 2.919 1.00 0.00 O ATOM 0 H GLY A 61 7.445 -11.496 2.759 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.119 -11.907 4.555 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.941 -13.616 4.214 1.00 0.00 H new ATOM 585 N PHE A 62 9.443 -12.378 1.432 1.00 0.00 N ATOM 586 CA PHE A 62 10.318 -12.258 0.279 1.00 0.00 C ATOM 587 C PHE A 62 9.927 -11.057 -0.585 1.00 0.00 C ATOM 588 O PHE A 62 8.784 -10.603 -0.542 1.00 0.00 O ATOM 589 CB PHE A 62 10.152 -13.537 -0.543 1.00 0.00 C ATOM 590 CG PHE A 62 8.704 -14.019 -0.660 1.00 0.00 C ATOM 591 CD1 PHE A 62 7.869 -13.448 -1.568 1.00 0.00 C ATOM 592 CD2 PHE A 62 8.253 -15.017 0.145 1.00 0.00 C ATOM 593 CE1 PHE A 62 6.525 -13.894 -1.676 1.00 0.00 C ATOM 594 CE2 PHE A 62 6.909 -15.464 0.038 1.00 0.00 C ATOM 595 CZ PHE A 62 6.074 -14.893 -0.870 1.00 0.00 C ATOM 0 H PHE A 62 8.446 -12.351 1.216 1.00 0.00 H new ATOM 0 HA PHE A 62 11.348 -12.115 0.607 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.550 -13.368 -1.544 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.752 -14.327 -0.091 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.228 -12.655 -2.207 1.00 0.00 H new ATOM 0 HD2 PHE A 62 8.917 -15.470 0.866 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.861 -13.440 -2.397 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.551 -16.257 0.678 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.052 -15.233 -0.952 1.00 0.00 H new ATOM 604 N GLU A 63 10.898 -10.576 -1.348 1.00 0.00 N ATOM 605 CA GLU A 63 10.670 -9.436 -2.220 1.00 0.00 C ATOM 606 C GLU A 63 9.745 -9.828 -3.374 1.00 0.00 C ATOM 607 O GLU A 63 10.133 -10.602 -4.250 1.00 0.00 O ATOM 608 CB GLU A 63 11.992 -8.872 -2.743 1.00 0.00 C ATOM 609 CG GLU A 63 11.783 -7.508 -3.404 1.00 0.00 C ATOM 610 CD GLU A 63 12.378 -7.484 -4.813 1.00 0.00 C ATOM 611 OE1 GLU A 63 12.415 -8.570 -5.432 1.00 0.00 O ATOM 612 OE2 GLU A 63 12.784 -6.381 -5.239 1.00 0.00 O ATOM 0 H GLU A 63 11.844 -10.955 -1.380 1.00 0.00 H new ATOM 0 HA GLU A 63 10.183 -8.651 -1.641 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.701 -8.777 -1.921 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.428 -9.565 -3.462 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.718 -7.282 -3.452 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.247 -6.731 -2.796 1.00 0.00 H new ATOM 617 N ASP A 64 8.541 -9.276 -3.341 1.00 0.00 N ATOM 618 CA ASP A 64 7.559 -9.559 -4.374 1.00 0.00 C ATOM 619 C ASP A 64 7.891 -8.742 -5.624 1.00 0.00 C ATOM 620 O ASP A 64 8.961 -8.141 -5.712 1.00 0.00 O ATOM 621 CB ASP A 64 6.152 -9.173 -3.916 1.00 0.00 C ATOM 622 CG ASP A 64 5.285 -10.338 -3.437 1.00 0.00 C ATOM 623 OD1 ASP A 64 5.575 -11.475 -3.866 1.00 0.00 O ATOM 624 OD2 ASP A 64 4.350 -10.065 -2.652 1.00 0.00 O ATOM 0 H ASP A 64 8.223 -8.634 -2.615 1.00 0.00 H new ATOM 0 HA ASP A 64 7.589 -10.628 -4.585 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.236 -8.446 -3.108 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.642 -8.675 -4.741 1.00 0.00 H new ATOM 628 N ASP A 65 6.954 -8.745 -6.561 1.00 0.00 N ATOM 629 CA ASP A 65 7.133 -8.011 -7.802 1.00 0.00 C ATOM 630 C ASP A 65 5.762 -7.664 -8.385 1.00 0.00 C ATOM 631 O ASP A 65 5.484 -6.502 -8.678 1.00 0.00 O ATOM 632 CB ASP A 65 7.887 -8.851 -8.834 1.00 0.00 C ATOM 633 CG ASP A 65 9.341 -8.434 -9.068 1.00 0.00 C ATOM 634 OD1 ASP A 65 9.539 -7.266 -9.466 1.00 0.00 O ATOM 635 OD2 ASP A 65 10.221 -9.293 -8.845 1.00 0.00 O ATOM 0 H ASP A 65 6.068 -9.245 -6.485 1.00 0.00 H new ATOM 0 HA ASP A 65 7.706 -7.110 -7.582 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.870 -9.893 -8.515 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.353 -8.800 -9.783 1.00 0.00 H new ATOM 639 N VAL A 66 4.941 -8.693 -8.538 1.00 0.00 N ATOM 640 CA VAL A 66 3.606 -8.511 -9.082 1.00 0.00 C ATOM 641 C VAL A 66 2.791 -7.626 -8.137 1.00 0.00 C ATOM 642 O VAL A 66 2.049 -6.754 -8.584 1.00 0.00 O ATOM 643 CB VAL A 66 2.956 -9.872 -9.339 1.00 0.00 C ATOM 644 CG1 VAL A 66 2.049 -10.274 -8.174 1.00 0.00 C ATOM 645 CG2 VAL A 66 2.183 -9.870 -10.660 1.00 0.00 C ATOM 0 H VAL A 66 5.175 -9.656 -8.295 1.00 0.00 H new ATOM 0 HA VAL A 66 3.651 -8.001 -10.044 1.00 0.00 H new ATOM 0 HB VAL A 66 3.751 -10.614 -9.417 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.599 -11.245 -8.381 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.638 -10.335 -7.259 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.263 -9.529 -8.051 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.731 -10.849 -10.818 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.401 -9.111 -10.623 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.865 -9.648 -11.481 1.00 0.00 H new ATOM 655 N VAL A 67 2.956 -7.885 -6.848 1.00 0.00 N ATOM 656 CA VAL A 67 2.245 -7.122 -5.836 1.00 0.00 C ATOM 657 C VAL A 67 2.852 -5.722 -5.736 1.00 0.00 C ATOM 658 O VAL A 67 2.129 -4.735 -5.618 1.00 0.00 O ATOM 659 CB VAL A 67 2.262 -7.877 -4.505 1.00 0.00 C ATOM 660 CG1 VAL A 67 2.375 -9.386 -4.732 1.00 0.00 C ATOM 661 CG2 VAL A 67 3.389 -7.372 -3.603 1.00 0.00 C ATOM 0 H VAL A 67 3.571 -8.612 -6.481 1.00 0.00 H new ATOM 0 HA VAL A 67 1.198 -7.002 -6.115 1.00 0.00 H new ATOM 0 HB VAL A 67 1.316 -7.685 -3.998 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.385 -9.899 -3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.523 -9.731 -5.318 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.298 -9.605 -5.270 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.379 -7.925 -2.664 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.347 -7.520 -4.101 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.245 -6.311 -3.401 1.00 0.00 H new ATOM 671 N ILE A 68 4.175 -5.681 -5.789 1.00 0.00 N ATOM 672 CA ILE A 68 4.889 -4.417 -5.706 1.00 0.00 C ATOM 673 C ILE A 68 4.517 -3.548 -6.909 1.00 0.00 C ATOM 674 O ILE A 68 4.205 -2.367 -6.754 1.00 0.00 O ATOM 675 CB ILE A 68 6.392 -4.659 -5.563 1.00 0.00 C ATOM 676 CG1 ILE A 68 6.684 -5.639 -4.425 1.00 0.00 C ATOM 677 CG2 ILE A 68 7.146 -3.339 -5.390 1.00 0.00 C ATOM 678 CD1 ILE A 68 8.165 -6.021 -4.397 1.00 0.00 C ATOM 0 H ILE A 68 4.772 -6.502 -5.888 1.00 0.00 H new ATOM 0 HA ILE A 68 4.592 -3.869 -4.812 1.00 0.00 H new ATOM 0 HB ILE A 68 6.753 -5.118 -6.484 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.403 -5.190 -3.472 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.076 -6.535 -4.547 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.213 -3.540 -5.291 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.976 -2.706 -6.261 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.788 -2.830 -4.495 1.00 0.00 H new ATOM 0 HD11 ILE A 68 8.345 -6.718 -3.579 1.00 0.00 H new ATOM 0 HD12 ILE A 68 8.437 -6.492 -5.342 1.00 0.00 H new ATOM 0 HD13 ILE A 68 8.769 -5.126 -4.250 1.00 0.00 H new ATOM 689 N GLU A 69 4.563 -4.163 -8.081 1.00 0.00 N ATOM 690 CA GLU A 69 4.235 -3.460 -9.309 1.00 0.00 C ATOM 691 C GLU A 69 2.805 -2.921 -9.247 1.00 0.00 C ATOM 692 O GLU A 69 2.542 -1.798 -9.675 1.00 0.00 O ATOM 693 CB GLU A 69 4.428 -4.365 -10.527 1.00 0.00 C ATOM 694 CG GLU A 69 5.713 -4.010 -11.278 1.00 0.00 C ATOM 695 CD GLU A 69 5.491 -4.044 -12.792 1.00 0.00 C ATOM 696 OE1 GLU A 69 4.358 -3.717 -13.207 1.00 0.00 O ATOM 697 OE2 GLU A 69 6.459 -4.397 -13.499 1.00 0.00 O ATOM 0 H GLU A 69 4.823 -5.141 -8.206 1.00 0.00 H new ATOM 0 HA GLU A 69 4.916 -2.615 -9.414 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.465 -5.407 -10.208 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.573 -4.267 -11.196 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.051 -3.018 -10.979 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.502 -4.711 -11.007 1.00 0.00 H new ATOM 702 N PHE A 70 1.919 -3.747 -8.711 1.00 0.00 N ATOM 703 CA PHE A 70 0.522 -3.367 -8.586 1.00 0.00 C ATOM 704 C PHE A 70 0.374 -2.071 -7.785 1.00 0.00 C ATOM 705 O PHE A 70 -0.356 -1.167 -8.189 1.00 0.00 O ATOM 706 CB PHE A 70 -0.185 -4.498 -7.837 1.00 0.00 C ATOM 707 CG PHE A 70 -0.863 -5.521 -8.751 1.00 0.00 C ATOM 708 CD1 PHE A 70 -1.575 -5.101 -9.831 1.00 0.00 C ATOM 709 CD2 PHE A 70 -0.755 -6.849 -8.483 1.00 0.00 C ATOM 710 CE1 PHE A 70 -2.205 -6.050 -10.679 1.00 0.00 C ATOM 711 CE2 PHE A 70 -1.384 -7.798 -9.331 1.00 0.00 C ATOM 712 CZ PHE A 70 -2.096 -7.379 -10.412 1.00 0.00 C ATOM 0 H PHE A 70 2.141 -4.678 -8.358 1.00 0.00 H new ATOM 0 HA PHE A 70 0.093 -3.203 -9.574 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.541 -5.013 -7.208 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.934 -4.067 -7.172 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -1.661 -4.046 -10.044 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.191 -7.182 -7.625 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.771 -5.716 -11.536 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.297 -8.853 -9.118 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.574 -8.101 -11.057 1.00 0.00 H new ATOM 721 N ILE A 71 1.080 -2.022 -6.665 1.00 0.00 N ATOM 722 CA ILE A 71 1.037 -0.852 -5.803 1.00 0.00 C ATOM 723 C ILE A 71 1.779 0.301 -6.481 1.00 0.00 C ATOM 724 O ILE A 71 1.282 1.426 -6.518 1.00 0.00 O ATOM 725 CB ILE A 71 1.571 -1.193 -4.411 1.00 0.00 C ATOM 726 CG1 ILE A 71 0.768 -2.333 -3.779 1.00 0.00 C ATOM 727 CG2 ILE A 71 1.603 0.048 -3.517 1.00 0.00 C ATOM 728 CD1 ILE A 71 1.680 -3.498 -3.394 1.00 0.00 C ATOM 0 H ILE A 71 1.685 -2.773 -6.334 1.00 0.00 H new ATOM 0 HA ILE A 71 0.008 -0.526 -5.653 1.00 0.00 H new ATOM 0 HB ILE A 71 2.598 -1.542 -4.516 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.246 -1.968 -2.895 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.007 -2.678 -4.479 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.987 -0.222 -2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.250 0.802 -3.964 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.595 0.449 -3.416 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.084 -4.294 -2.947 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.182 -3.876 -4.284 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.424 -3.155 -2.675 1.00 0.00 H new ATOM 739 N PHE A 72 2.955 -0.017 -6.999 1.00 0.00 N ATOM 740 CA PHE A 72 3.771 0.978 -7.674 1.00 0.00 C ATOM 741 C PHE A 72 3.047 1.543 -8.898 1.00 0.00 C ATOM 742 O PHE A 72 2.964 2.759 -9.069 1.00 0.00 O ATOM 743 CB PHE A 72 5.050 0.275 -8.132 1.00 0.00 C ATOM 744 CG PHE A 72 6.053 0.014 -7.007 1.00 0.00 C ATOM 745 CD1 PHE A 72 5.633 -0.010 -5.713 1.00 0.00 C ATOM 746 CD2 PHE A 72 7.365 -0.196 -7.300 1.00 0.00 C ATOM 747 CE1 PHE A 72 6.565 -0.252 -4.669 1.00 0.00 C ATOM 748 CE2 PHE A 72 8.295 -0.438 -6.256 1.00 0.00 C ATOM 749 CZ PHE A 72 7.876 -0.462 -4.962 1.00 0.00 C ATOM 0 H PHE A 72 3.363 -0.951 -6.965 1.00 0.00 H new ATOM 0 HA PHE A 72 3.983 1.805 -6.997 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.784 -0.675 -8.596 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.531 0.881 -8.900 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.591 0.155 -5.480 1.00 0.00 H new ATOM 0 HD2 PHE A 72 7.699 -0.178 -8.327 1.00 0.00 H new ATOM 0 HE1 PHE A 72 6.232 -0.269 -3.642 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.337 -0.603 -6.489 1.00 0.00 H new ATOM 0 HZ PHE A 72 8.584 -0.648 -4.168 1.00 0.00 H new ATOM 758 N ASN A 73 2.540 0.633 -9.717 1.00 0.00 N ATOM 759 CA ASN A 73 1.826 1.024 -10.920 1.00 0.00 C ATOM 760 C ASN A 73 0.582 1.827 -10.532 1.00 0.00 C ATOM 761 O ASN A 73 0.258 2.824 -11.174 1.00 0.00 O ATOM 762 CB ASN A 73 1.369 -0.201 -11.714 1.00 0.00 C ATOM 763 CG ASN A 73 2.498 -0.735 -12.598 1.00 0.00 C ATOM 764 OD1 ASN A 73 2.482 -0.610 -13.812 1.00 0.00 O ATOM 765 ND2 ASN A 73 3.476 -1.334 -11.924 1.00 0.00 N ATOM 0 H ASN A 73 2.610 -0.374 -9.571 1.00 0.00 H new ATOM 0 HA ASN A 73 2.502 1.619 -11.534 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.040 -0.981 -11.028 1.00 0.00 H new ATOM 0 HB3 ASN A 73 0.511 0.062 -12.333 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.276 -1.723 -12.424 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.426 -1.404 -10.908 1.00 0.00 H new ATOM 771 N GLN A 74 -0.080 1.360 -9.483 1.00 0.00 N ATOM 772 CA GLN A 74 -1.281 2.021 -9.001 1.00 0.00 C ATOM 773 C GLN A 74 -0.924 3.356 -8.343 1.00 0.00 C ATOM 774 O GLN A 74 -1.635 4.345 -8.512 1.00 0.00 O ATOM 775 CB GLN A 74 -2.051 1.121 -8.034 1.00 0.00 C ATOM 776 CG GLN A 74 -2.913 0.112 -8.793 1.00 0.00 C ATOM 777 CD GLN A 74 -2.171 -0.436 -10.013 1.00 0.00 C ATOM 778 OE1 GLN A 74 -1.805 0.287 -10.925 1.00 0.00 O ATOM 779 NE2 GLN A 74 -1.970 -1.751 -9.978 1.00 0.00 N ATOM 0 H GLN A 74 0.193 0.532 -8.954 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.930 2.221 -9.854 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.350 0.593 -7.387 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.683 1.731 -7.388 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -3.186 -0.709 -8.130 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.841 0.588 -9.111 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.303 -2.297 -9.183 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -1.483 -2.213 -10.746 1.00 0.00 H new ATOM 786 N LEU A 75 0.178 3.340 -7.607 1.00 0.00 N ATOM 787 CA LEU A 75 0.637 4.537 -6.923 1.00 0.00 C ATOM 788 C LEU A 75 1.349 5.449 -7.923 1.00 0.00 C ATOM 789 O LEU A 75 1.722 6.573 -7.587 1.00 0.00 O ATOM 790 CB LEU A 75 1.495 4.165 -5.711 1.00 0.00 C ATOM 791 CG LEU A 75 0.759 3.496 -4.548 1.00 0.00 C ATOM 792 CD1 LEU A 75 1.711 3.221 -3.383 1.00 0.00 C ATOM 793 CD2 LEU A 75 -0.453 4.324 -4.116 1.00 0.00 C ATOM 0 H LEU A 75 0.766 2.518 -7.470 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.209 5.098 -6.526 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.289 3.497 -6.044 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.975 5.070 -5.339 1.00 0.00 H new ATOM 0 HG LEU A 75 0.383 2.532 -4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.163 2.745 -2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.512 2.561 -3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.138 4.161 -3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.958 3.826 -3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.123 5.313 -3.798 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.143 4.424 -4.954 1.00 0.00 H new ATOM 804 N GLU A 76 1.515 4.933 -9.132 1.00 0.00 N ATOM 805 CA GLU A 76 2.176 5.688 -10.183 1.00 0.00 C ATOM 806 C GLU A 76 1.195 6.668 -10.830 1.00 0.00 C ATOM 807 O GLU A 76 1.576 7.451 -11.698 1.00 0.00 O ATOM 808 CB GLU A 76 2.786 4.753 -11.230 1.00 0.00 C ATOM 809 CG GLU A 76 4.214 4.359 -10.846 1.00 0.00 C ATOM 810 CD GLU A 76 5.212 4.805 -11.917 1.00 0.00 C ATOM 811 OE1 GLU A 76 4.855 4.685 -13.109 1.00 0.00 O ATOM 812 OE2 GLU A 76 6.308 5.253 -11.520 1.00 0.00 O ATOM 0 H GLU A 76 1.203 4.002 -9.407 1.00 0.00 H new ATOM 0 HA GLU A 76 2.989 6.259 -9.736 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.171 3.858 -11.326 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.789 5.244 -12.203 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.475 4.811 -9.889 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.274 3.279 -10.715 1.00 0.00 H new ATOM 817 N VAL A 77 -0.050 6.591 -10.382 1.00 0.00 N ATOM 818 CA VAL A 77 -1.089 7.462 -10.906 1.00 0.00 C ATOM 819 C VAL A 77 -1.413 8.543 -9.872 1.00 0.00 C ATOM 820 O VAL A 77 -0.717 8.671 -8.865 1.00 0.00 O ATOM 821 CB VAL A 77 -2.311 6.635 -11.308 1.00 0.00 C ATOM 822 CG1 VAL A 77 -1.896 5.385 -12.087 1.00 0.00 C ATOM 823 CG2 VAL A 77 -3.149 6.263 -10.083 1.00 0.00 C ATOM 0 H VAL A 77 -0.362 5.939 -9.662 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.744 7.968 -11.808 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.929 7.249 -11.963 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.784 4.815 -12.360 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.362 5.680 -12.990 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.246 4.768 -11.466 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.012 5.675 -10.397 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.543 5.677 -9.392 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.490 7.171 -9.586 1.00 0.00 H new ATOM 833 N LYS A 78 -2.467 9.292 -10.157 1.00 0.00 N ATOM 834 CA LYS A 78 -2.891 10.357 -9.264 1.00 0.00 C ATOM 835 C LYS A 78 -4.057 9.864 -8.405 1.00 0.00 C ATOM 836 O LYS A 78 -4.329 10.420 -7.343 1.00 0.00 O ATOM 837 CB LYS A 78 -3.207 11.627 -10.057 1.00 0.00 C ATOM 838 CG LYS A 78 -1.975 12.117 -10.821 1.00 0.00 C ATOM 839 CD LYS A 78 -1.912 11.493 -12.217 1.00 0.00 C ATOM 840 CE LYS A 78 -0.462 11.324 -12.677 1.00 0.00 C ATOM 841 NZ LYS A 78 -0.318 11.724 -14.094 1.00 0.00 N ATOM 0 H LYS A 78 -3.040 9.183 -10.994 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.084 10.626 -8.583 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.019 11.430 -10.757 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.553 12.407 -9.379 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.003 13.203 -10.905 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.073 11.864 -10.264 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.410 10.523 -12.209 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.451 12.122 -12.925 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.196 11.929 -12.054 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.154 10.286 -12.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.672 11.603 -14.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.932 11.129 -14.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.593 12.721 -14.203 1.00 0.00 H new ATOM 851 N ASN A 79 -4.714 8.824 -8.897 1.00 0.00 N ATOM 852 CA ASN A 79 -5.845 8.249 -8.189 1.00 0.00 C ATOM 853 C ASN A 79 -5.784 6.724 -8.291 1.00 0.00 C ATOM 854 O ASN A 79 -6.318 6.139 -9.233 1.00 0.00 O ATOM 855 CB ASN A 79 -7.170 8.710 -8.797 1.00 0.00 C ATOM 856 CG ASN A 79 -7.931 9.621 -7.830 1.00 0.00 C ATOM 857 OD1 ASN A 79 -9.078 9.388 -7.490 1.00 0.00 O ATOM 858 ND2 ASN A 79 -7.227 10.668 -7.408 1.00 0.00 N ATOM 0 H ASN A 79 -4.484 8.364 -9.778 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.792 8.576 -7.151 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.981 9.241 -9.730 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -7.782 7.843 -9.043 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.645 11.335 -6.759 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.270 10.803 -7.733 1.00 0.00 H new ATOM 864 N PRO A 80 -5.110 6.106 -7.284 1.00 0.00 N ATOM 865 CA PRO A 80 -4.972 4.660 -7.252 1.00 0.00 C ATOM 866 C PRO A 80 -6.283 3.993 -6.831 1.00 0.00 C ATOM 867 O PRO A 80 -7.077 4.583 -6.101 1.00 0.00 O ATOM 868 CB PRO A 80 -3.832 4.394 -6.282 1.00 0.00 C ATOM 869 CG PRO A 80 -3.684 5.663 -5.457 1.00 0.00 C ATOM 870 CD PRO A 80 -4.465 6.766 -6.152 1.00 0.00 C ATOM 0 HA PRO A 80 -4.750 4.237 -8.232 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.053 3.537 -5.645 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.910 4.165 -6.816 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.061 5.507 -4.446 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.633 5.939 -5.366 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.200 7.213 -5.483 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.807 7.569 -6.484 1.00 0.00 H new ATOM 875 N ASP A 81 -6.469 2.772 -7.310 1.00 0.00 N ATOM 876 CA ASP A 81 -7.670 2.019 -6.992 1.00 0.00 C ATOM 877 C ASP A 81 -7.383 1.081 -5.818 1.00 0.00 C ATOM 878 O ASP A 81 -6.829 -0.001 -6.005 1.00 0.00 O ATOM 879 CB ASP A 81 -8.115 1.164 -8.182 1.00 0.00 C ATOM 880 CG ASP A 81 -9.369 0.322 -7.939 1.00 0.00 C ATOM 881 OD1 ASP A 81 -9.884 0.384 -6.802 1.00 0.00 O ATOM 882 OD2 ASP A 81 -9.785 -0.366 -8.896 1.00 0.00 O ATOM 0 H ASP A 81 -5.808 2.285 -7.916 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.458 2.730 -6.743 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.295 1.819 -9.034 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.297 0.499 -8.459 1.00 0.00 H new ATOM 886 N SER A 82 -7.774 1.529 -4.634 1.00 0.00 N ATOM 887 CA SER A 82 -7.566 0.744 -3.430 1.00 0.00 C ATOM 888 C SER A 82 -8.197 -0.640 -3.592 1.00 0.00 C ATOM 889 O SER A 82 -7.681 -1.626 -3.069 1.00 0.00 O ATOM 890 CB SER A 82 -8.146 1.451 -2.204 1.00 0.00 C ATOM 891 OG SER A 82 -7.455 1.100 -1.008 1.00 0.00 O ATOM 0 H SER A 82 -8.234 2.427 -4.483 1.00 0.00 H new ATOM 0 HA SER A 82 -6.493 0.631 -3.277 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.094 2.530 -2.349 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.200 1.194 -2.102 1.00 0.00 H new ATOM 0 HG SER A 82 -6.999 1.890 -0.649 1.00 0.00 H new ATOM 896 N LYS A 83 -9.304 -0.669 -4.320 1.00 0.00 N ATOM 897 CA LYS A 83 -10.010 -1.916 -4.558 1.00 0.00 C ATOM 898 C LYS A 83 -9.071 -2.905 -5.252 1.00 0.00 C ATOM 899 O LYS A 83 -8.967 -4.060 -4.843 1.00 0.00 O ATOM 900 CB LYS A 83 -11.308 -1.658 -5.324 1.00 0.00 C ATOM 901 CG LYS A 83 -12.141 -0.569 -4.643 1.00 0.00 C ATOM 902 CD LYS A 83 -12.387 -0.909 -3.172 1.00 0.00 C ATOM 903 CE LYS A 83 -13.317 0.118 -2.522 1.00 0.00 C ATOM 904 NZ LYS A 83 -14.670 0.041 -3.117 1.00 0.00 N ATOM 0 H LYS A 83 -9.729 0.151 -4.753 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.310 -2.371 -3.614 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -11.077 -1.358 -6.346 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -11.888 -2.579 -5.385 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.626 0.389 -4.718 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -13.095 -0.459 -5.159 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.825 -1.904 -3.093 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.438 -0.936 -2.637 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.374 -0.063 -1.449 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.911 1.121 -2.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.357 0.489 -2.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.675 0.535 -4.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.930 -0.956 -3.260 1.00 0.00 H new ATOM 914 N MET A 84 -8.412 -2.415 -6.291 1.00 0.00 N ATOM 915 CA MET A 84 -7.485 -3.241 -7.048 1.00 0.00 C ATOM 916 C MET A 84 -6.252 -3.586 -6.211 1.00 0.00 C ATOM 917 O MET A 84 -5.690 -4.673 -6.345 1.00 0.00 O ATOM 918 CB MET A 84 -7.054 -2.498 -8.313 1.00 0.00 C ATOM 919 CG MET A 84 -7.718 -3.096 -9.554 1.00 0.00 C ATOM 920 SD MET A 84 -6.667 -4.351 -10.263 1.00 0.00 S ATOM 921 CE MET A 84 -6.949 -5.682 -9.107 1.00 0.00 C ATOM 0 H MET A 84 -8.501 -1.456 -6.627 1.00 0.00 H new ATOM 0 HA MET A 84 -7.990 -4.169 -7.317 1.00 0.00 H new ATOM 0 HB2 MET A 84 -7.318 -1.444 -8.227 1.00 0.00 H new ATOM 0 HB3 MET A 84 -5.970 -2.548 -8.417 1.00 0.00 H new ATOM 0 HG2 MET A 84 -8.684 -3.526 -9.288 1.00 0.00 H new ATOM 0 HG3 MET A 84 -7.909 -2.313 -10.288 1.00 0.00 H new ATOM 0 HE1 MET A 84 -6.556 -6.611 -9.519 1.00 0.00 H new ATOM 0 HE2 MET A 84 -6.444 -5.460 -8.167 1.00 0.00 H new ATOM 0 HE3 MET A 84 -8.019 -5.788 -8.928 1.00 0.00 H new ATOM 929 N MET A 85 -5.865 -2.641 -5.367 1.00 0.00 N ATOM 930 CA MET A 85 -4.708 -2.831 -4.510 1.00 0.00 C ATOM 931 C MET A 85 -4.916 -4.014 -3.562 1.00 0.00 C ATOM 932 O MET A 85 -4.081 -4.914 -3.492 1.00 0.00 O ATOM 933 CB MET A 85 -4.462 -1.561 -3.694 1.00 0.00 C ATOM 934 CG MET A 85 -2.991 -1.145 -3.756 1.00 0.00 C ATOM 935 SD MET A 85 -2.617 -0.460 -5.362 1.00 0.00 S ATOM 936 CE MET A 85 -3.009 1.256 -5.064 1.00 0.00 C ATOM 0 H MET A 85 -6.333 -1.741 -5.259 1.00 0.00 H new ATOM 0 HA MET A 85 -3.844 -3.042 -5.140 1.00 0.00 H new ATOM 0 HB2 MET A 85 -5.088 -0.754 -4.074 1.00 0.00 H new ATOM 0 HB3 MET A 85 -4.753 -1.729 -2.657 1.00 0.00 H new ATOM 0 HG2 MET A 85 -2.780 -0.410 -2.980 1.00 0.00 H new ATOM 0 HG3 MET A 85 -2.352 -2.007 -3.561 1.00 0.00 H new ATOM 0 HE1 MET A 85 -3.901 1.529 -5.628 1.00 0.00 H new ATOM 0 HE2 MET A 85 -3.192 1.408 -4.000 1.00 0.00 H new ATOM 0 HE3 MET A 85 -2.174 1.880 -5.381 1.00 0.00 H new ATOM 944 N GLN A 86 -6.037 -3.974 -2.854 1.00 0.00 N ATOM 945 CA GLN A 86 -6.365 -5.032 -1.913 1.00 0.00 C ATOM 946 C GLN A 86 -6.712 -6.319 -2.662 1.00 0.00 C ATOM 947 O GLN A 86 -6.415 -7.415 -2.190 1.00 0.00 O ATOM 948 CB GLN A 86 -7.511 -4.607 -0.991 1.00 0.00 C ATOM 949 CG GLN A 86 -7.111 -4.746 0.478 1.00 0.00 C ATOM 950 CD GLN A 86 -8.270 -5.294 1.314 1.00 0.00 C ATOM 951 OE1 GLN A 86 -8.806 -4.634 2.189 1.00 0.00 O ATOM 952 NE2 GLN A 86 -8.628 -6.535 0.994 1.00 0.00 N ATOM 0 H GLN A 86 -6.728 -3.226 -2.914 1.00 0.00 H new ATOM 0 HA GLN A 86 -5.491 -5.223 -1.290 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -7.787 -3.574 -1.200 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -8.390 -5.219 -1.192 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -6.251 -5.410 0.563 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.804 -3.776 0.868 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -8.137 -7.032 0.251 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -9.393 -6.990 1.492 1.00 0.00 H new ATOM 959 N ILE A 87 -7.336 -6.144 -3.818 1.00 0.00 N ATOM 960 CA ILE A 87 -7.727 -7.279 -4.636 1.00 0.00 C ATOM 961 C ILE A 87 -6.475 -7.942 -5.212 1.00 0.00 C ATOM 962 O ILE A 87 -6.387 -9.169 -5.267 1.00 0.00 O ATOM 963 CB ILE A 87 -8.739 -6.849 -5.700 1.00 0.00 C ATOM 964 CG1 ILE A 87 -10.153 -6.785 -5.119 1.00 0.00 C ATOM 965 CG2 ILE A 87 -8.665 -7.760 -6.927 1.00 0.00 C ATOM 966 CD1 ILE A 87 -10.946 -5.630 -5.733 1.00 0.00 C ATOM 0 H ILE A 87 -7.580 -5.233 -4.207 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.235 -8.029 -4.029 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.481 -5.843 -6.029 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -10.670 -7.726 -5.307 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -10.100 -6.660 -4.037 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.394 -7.433 -7.668 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.664 -7.711 -7.357 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.883 -8.786 -6.632 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -11.947 -5.607 -5.303 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.439 -4.688 -5.523 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -11.018 -5.771 -6.812 1.00 0.00 H new ATOM 977 N ASN A 88 -5.536 -7.103 -5.625 1.00 0.00 N ATOM 978 CA ASN A 88 -4.293 -7.594 -6.194 1.00 0.00 C ATOM 979 C ASN A 88 -3.423 -8.179 -5.080 1.00 0.00 C ATOM 980 O ASN A 88 -2.869 -9.268 -5.228 1.00 0.00 O ATOM 981 CB ASN A 88 -3.508 -6.462 -6.860 1.00 0.00 C ATOM 982 CG ASN A 88 -3.958 -6.259 -8.308 1.00 0.00 C ATOM 983 OD1 ASN A 88 -4.288 -7.194 -9.019 1.00 0.00 O ATOM 984 ND2 ASN A 88 -3.956 -4.989 -8.703 1.00 0.00 N ATOM 0 H ASN A 88 -5.611 -6.087 -5.577 1.00 0.00 H new ATOM 0 HA ASN A 88 -4.539 -8.351 -6.939 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.649 -5.538 -6.299 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -2.442 -6.690 -6.835 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -4.243 -4.750 -9.652 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -3.668 -4.254 -8.057 1.00 0.00 H new ATOM 990 N LEU A 89 -3.331 -7.432 -3.990 1.00 0.00 N ATOM 991 CA LEU A 89 -2.538 -7.865 -2.851 1.00 0.00 C ATOM 992 C LEU A 89 -3.072 -9.206 -2.344 1.00 0.00 C ATOM 993 O LEU A 89 -2.301 -10.133 -2.101 1.00 0.00 O ATOM 994 CB LEU A 89 -2.500 -6.774 -1.780 1.00 0.00 C ATOM 995 CG LEU A 89 -1.571 -5.591 -2.060 1.00 0.00 C ATOM 996 CD1 LEU A 89 -1.508 -4.645 -0.859 1.00 0.00 C ATOM 997 CD2 LEU A 89 -0.181 -6.073 -2.481 1.00 0.00 C ATOM 0 H LEU A 89 -3.792 -6.530 -3.871 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.501 -8.026 -3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.511 -6.392 -1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.201 -7.230 -0.836 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.984 -5.025 -2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.841 -3.813 -1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.506 -4.262 -0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.133 -5.185 0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.460 -5.212 -2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.252 -6.676 -1.683 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.263 -6.674 -3.386 1.00 0.00 H new ATOM 1008 N THR A 90 -4.387 -9.267 -2.198 1.00 0.00 N ATOM 1009 CA THR A 90 -5.032 -10.478 -1.723 1.00 0.00 C ATOM 1010 C THR A 90 -4.709 -11.653 -2.649 1.00 0.00 C ATOM 1011 O THR A 90 -4.793 -12.810 -2.243 1.00 0.00 O ATOM 1012 CB THR A 90 -6.531 -10.199 -1.599 1.00 0.00 C ATOM 1013 OG1 THR A 90 -6.610 -9.159 -0.628 1.00 0.00 O ATOM 1014 CG2 THR A 90 -7.294 -11.362 -0.961 1.00 0.00 C ATOM 0 H THR A 90 -5.024 -8.496 -2.401 1.00 0.00 H new ATOM 0 HA THR A 90 -4.657 -10.765 -0.741 1.00 0.00 H new ATOM 0 HB THR A 90 -6.944 -9.993 -2.586 1.00 0.00 H new ATOM 0 HG1 THR A 90 -6.786 -8.305 -1.076 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.353 -11.111 -0.897 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.169 -12.257 -1.571 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.904 -11.548 0.040 1.00 0.00 H new ATOM 1022 N GLY A 91 -4.345 -11.313 -3.878 1.00 0.00 N ATOM 1023 CA GLY A 91 -4.008 -12.324 -4.865 1.00 0.00 C ATOM 1024 C GLY A 91 -2.683 -13.007 -4.521 1.00 0.00 C ATOM 1025 O GLY A 91 -2.450 -14.150 -4.910 1.00 0.00 O ATOM 0 H GLY A 91 -4.276 -10.352 -4.212 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.803 -13.068 -4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.939 -11.865 -5.851 1.00 0.00 H new ATOM 1029 N PHE A 92 -1.849 -12.276 -3.795 1.00 0.00 N ATOM 1030 CA PHE A 92 -0.552 -12.796 -3.395 1.00 0.00 C ATOM 1031 C PHE A 92 -0.485 -12.991 -1.879 1.00 0.00 C ATOM 1032 O PHE A 92 0.110 -13.955 -1.399 1.00 0.00 O ATOM 1033 CB PHE A 92 0.493 -11.761 -3.812 1.00 0.00 C ATOM 1034 CG PHE A 92 1.453 -12.248 -4.900 1.00 0.00 C ATOM 1035 CD1 PHE A 92 0.964 -12.705 -6.083 1.00 0.00 C ATOM 1036 CD2 PHE A 92 2.795 -12.224 -4.682 1.00 0.00 C ATOM 1037 CE1 PHE A 92 1.854 -13.157 -7.093 1.00 0.00 C ATOM 1038 CE2 PHE A 92 3.686 -12.676 -5.691 1.00 0.00 C ATOM 1039 CZ PHE A 92 3.197 -13.134 -6.875 1.00 0.00 C ATOM 0 H PHE A 92 -2.046 -11.328 -3.474 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.376 -13.763 -3.867 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.018 -10.866 -4.167 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.072 -11.470 -2.935 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.102 -12.724 -6.255 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.183 -11.861 -3.742 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.465 -13.519 -8.033 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.752 -12.656 -5.518 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.875 -13.479 -7.642 1.00 0.00 H new ATOM 1048 N LEU A 93 -1.103 -12.060 -1.167 1.00 0.00 N ATOM 1049 CA LEU A 93 -1.121 -12.117 0.285 1.00 0.00 C ATOM 1050 C LEU A 93 -2.083 -13.217 0.737 1.00 0.00 C ATOM 1051 O LEU A 93 -2.534 -14.025 -0.075 1.00 0.00 O ATOM 1052 CB LEU A 93 -1.440 -10.741 0.871 1.00 0.00 C ATOM 1053 CG LEU A 93 -0.639 -9.567 0.305 1.00 0.00 C ATOM 1054 CD1 LEU A 93 -0.582 -8.410 1.303 1.00 0.00 C ATOM 1055 CD2 LEU A 93 0.758 -10.017 -0.129 1.00 0.00 C ATOM 0 H LEU A 93 -1.595 -11.262 -1.569 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.135 -12.380 0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.500 -10.540 0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.277 -10.780 1.948 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.152 -9.200 -0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.007 -7.589 0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.594 -8.069 1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.105 -8.747 2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.307 -9.164 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.292 -10.424 0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.670 -10.784 -0.898 1.00 0.00 H new ATOM 1066 N ASN A 94 -2.370 -13.215 2.030 1.00 0.00 N ATOM 1067 CA ASN A 94 -3.271 -14.202 2.599 1.00 0.00 C ATOM 1068 C ASN A 94 -4.691 -13.634 2.627 1.00 0.00 C ATOM 1069 O ASN A 94 -5.652 -14.366 2.863 1.00 0.00 O ATOM 1070 CB ASN A 94 -2.872 -14.548 4.035 1.00 0.00 C ATOM 1071 CG ASN A 94 -1.623 -15.430 4.059 1.00 0.00 C ATOM 1072 OD1 ASN A 94 -1.690 -16.649 4.039 1.00 0.00 O ATOM 1073 ND2 ASN A 94 -0.481 -14.750 4.104 1.00 0.00 N ATOM 0 H ASN A 94 -1.994 -12.545 2.701 1.00 0.00 H new ATOM 0 HA ASN A 94 -3.220 -15.100 1.984 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -2.685 -13.632 4.595 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -3.695 -15.063 4.531 1.00 0.00 H new ATOM 0 HD21 ASN A 94 0.409 -15.248 4.124 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -0.495 -13.730 4.119 1.00 0.00 H new ATOM 1079 N GLY A 95 -4.780 -12.335 2.381 1.00 0.00 N ATOM 1080 CA GLY A 95 -6.067 -11.661 2.375 1.00 0.00 C ATOM 1081 C GLY A 95 -6.198 -10.719 3.572 1.00 0.00 C ATOM 1082 O GLY A 95 -6.451 -9.527 3.405 1.00 0.00 O ATOM 0 H GLY A 95 -3.982 -11.731 2.184 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.182 -11.097 1.449 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.868 -12.399 2.399 1.00 0.00 H new ATOM 1086 N LYS A 96 -6.021 -11.289 4.756 1.00 0.00 N ATOM 1087 CA LYS A 96 -6.117 -10.515 5.981 1.00 0.00 C ATOM 1088 C LYS A 96 -5.000 -9.469 6.007 1.00 0.00 C ATOM 1089 O LYS A 96 -5.194 -8.362 6.507 1.00 0.00 O ATOM 1090 CB LYS A 96 -6.122 -11.440 7.200 1.00 0.00 C ATOM 1091 CG LYS A 96 -7.500 -11.466 7.863 1.00 0.00 C ATOM 1092 CD LYS A 96 -7.702 -10.240 8.757 1.00 0.00 C ATOM 1093 CE LYS A 96 -8.228 -10.646 10.135 1.00 0.00 C ATOM 1094 NZ LYS A 96 -7.288 -10.217 11.195 1.00 0.00 N ATOM 0 H LYS A 96 -5.812 -12.278 4.892 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.062 -9.974 6.017 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.841 -12.449 6.897 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.375 -11.104 7.919 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.275 -11.494 7.097 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.605 -12.374 8.456 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.758 -9.706 8.867 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.403 -9.553 8.284 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.206 -10.196 10.304 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.363 -11.727 10.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -7.660 -10.500 12.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -6.363 -10.666 11.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.180 -9.183 11.166 1.00 0.00 H new ATOM 1104 N ASN A 97 -3.857 -9.857 5.462 1.00 0.00 N ATOM 1105 CA ASN A 97 -2.709 -8.968 5.417 1.00 0.00 C ATOM 1106 C ASN A 97 -2.975 -7.850 4.406 1.00 0.00 C ATOM 1107 O ASN A 97 -2.532 -6.719 4.593 1.00 0.00 O ATOM 1108 CB ASN A 97 -1.449 -9.715 4.975 1.00 0.00 C ATOM 1109 CG ASN A 97 -0.517 -9.967 6.162 1.00 0.00 C ATOM 1110 OD1 ASN A 97 -0.429 -9.183 7.092 1.00 0.00 O ATOM 1111 ND2 ASN A 97 0.171 -11.102 6.078 1.00 0.00 N ATOM 0 H ASN A 97 -3.701 -10.776 5.047 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.556 -8.565 6.418 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.726 -10.665 4.518 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.926 -9.135 4.214 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.820 -11.361 6.821 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.049 -11.714 5.271 1.00 0.00 H new ATOM 1117 N ALA A 98 -3.698 -8.208 3.354 1.00 0.00 N ATOM 1118 CA ALA A 98 -4.029 -7.250 2.313 1.00 0.00 C ATOM 1119 C ALA A 98 -4.910 -6.147 2.901 1.00 0.00 C ATOM 1120 O ALA A 98 -4.748 -4.974 2.565 1.00 0.00 O ATOM 1121 CB ALA A 98 -4.703 -7.976 1.146 1.00 0.00 C ATOM 0 H ALA A 98 -4.063 -9.148 3.201 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.126 -6.778 1.925 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.951 -7.257 0.365 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -4.024 -8.728 0.744 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.614 -8.460 1.496 1.00 0.00 H new ATOM 1127 N ARG A 99 -5.821 -6.561 3.769 1.00 0.00 N ATOM 1128 CA ARG A 99 -6.727 -5.622 4.407 1.00 0.00 C ATOM 1129 C ARG A 99 -5.966 -4.738 5.397 1.00 0.00 C ATOM 1130 O ARG A 99 -6.225 -3.539 5.490 1.00 0.00 O ATOM 1131 CB ARG A 99 -7.849 -6.355 5.146 1.00 0.00 C ATOM 1132 CG ARG A 99 -9.153 -6.308 4.350 1.00 0.00 C ATOM 1133 CD ARG A 99 -10.147 -7.353 4.861 1.00 0.00 C ATOM 1134 NE ARG A 99 -9.595 -8.713 4.667 1.00 0.00 N ATOM 1135 CZ ARG A 99 -10.305 -9.840 4.814 1.00 0.00 C ATOM 1136 NH1 ARG A 99 -11.598 -9.777 5.156 1.00 0.00 N ATOM 1137 NH2 ARG A 99 -9.721 -11.030 4.617 1.00 0.00 N ATOM 0 H ARG A 99 -5.951 -7.534 4.045 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.166 -5.002 3.625 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -7.560 -7.392 5.316 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.001 -5.902 6.126 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.594 -5.314 4.426 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -8.945 -6.484 3.295 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -10.355 -7.183 5.917 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.094 -7.257 4.330 1.00 0.00 H new ATOM 0 HE ARG A 99 -8.613 -8.797 4.405 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.043 -8.871 5.305 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -12.138 -10.635 5.268 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -8.736 -11.078 4.355 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -10.261 -11.888 4.729 1.00 0.00 H new ATOM 1148 N GLU A 100 -5.042 -5.365 6.111 1.00 0.00 N ATOM 1149 CA GLU A 100 -4.241 -4.650 7.089 1.00 0.00 C ATOM 1150 C GLU A 100 -3.201 -3.773 6.388 1.00 0.00 C ATOM 1151 O GLU A 100 -2.938 -2.651 6.816 1.00 0.00 O ATOM 1152 CB GLU A 100 -3.571 -5.620 8.064 1.00 0.00 C ATOM 1153 CG GLU A 100 -4.513 -5.980 9.215 1.00 0.00 C ATOM 1154 CD GLU A 100 -4.422 -4.948 10.341 1.00 0.00 C ATOM 1155 OE1 GLU A 100 -5.059 -3.883 10.188 1.00 0.00 O ATOM 1156 OE2 GLU A 100 -3.717 -5.247 11.329 1.00 0.00 O ATOM 0 H GLU A 100 -4.831 -6.360 6.031 1.00 0.00 H new ATOM 0 HA GLU A 100 -4.902 -4.004 7.666 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.275 -6.526 7.535 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.661 -5.171 8.461 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -5.538 -6.033 8.848 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -4.261 -6.968 9.601 1.00 0.00 H new ATOM 1161 N PHE A 101 -2.638 -4.320 5.320 1.00 0.00 N ATOM 1162 CA PHE A 101 -1.634 -3.601 4.554 1.00 0.00 C ATOM 1163 C PHE A 101 -2.204 -2.300 3.986 1.00 0.00 C ATOM 1164 O PHE A 101 -1.605 -1.237 4.140 1.00 0.00 O ATOM 1165 CB PHE A 101 -1.219 -4.512 3.395 1.00 0.00 C ATOM 1166 CG PHE A 101 -0.304 -3.837 2.372 1.00 0.00 C ATOM 1167 CD1 PHE A 101 -0.840 -3.159 1.323 1.00 0.00 C ATOM 1168 CD2 PHE A 101 1.047 -3.917 2.511 1.00 0.00 C ATOM 1169 CE1 PHE A 101 0.011 -2.533 0.373 1.00 0.00 C ATOM 1170 CE2 PHE A 101 1.898 -3.292 1.561 1.00 0.00 C ATOM 1171 CZ PHE A 101 1.361 -2.613 0.512 1.00 0.00 C ATOM 0 H PHE A 101 -2.858 -5.252 4.968 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.790 -3.346 5.194 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.712 -5.388 3.799 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -2.115 -4.868 2.887 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -1.912 -3.096 1.212 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.473 -4.456 3.344 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -0.415 -1.993 -0.460 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.970 -3.356 1.672 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.007 -2.137 -0.211 1.00 0.00 H new ATOM 1180 N MET A 102 -3.354 -2.427 3.340 1.00 0.00 N ATOM 1181 CA MET A 102 -4.011 -1.275 2.748 1.00 0.00 C ATOM 1182 C MET A 102 -4.523 -0.320 3.830 1.00 0.00 C ATOM 1183 O MET A 102 -4.628 0.884 3.600 1.00 0.00 O ATOM 1184 CB MET A 102 -5.184 -1.743 1.884 1.00 0.00 C ATOM 1185 CG MET A 102 -4.693 -2.281 0.539 1.00 0.00 C ATOM 1186 SD MET A 102 -3.768 -1.020 -0.323 1.00 0.00 S ATOM 1187 CE MET A 102 -5.105 0.045 -0.838 1.00 0.00 C ATOM 0 H MET A 102 -3.847 -3.311 3.214 1.00 0.00 H new ATOM 0 HA MET A 102 -3.285 -0.743 2.133 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.740 -2.519 2.409 1.00 0.00 H new ATOM 0 HB3 MET A 102 -5.872 -0.914 1.719 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.067 -3.159 0.696 1.00 0.00 H new ATOM 0 HG3 MET A 102 -5.542 -2.599 -0.067 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.796 0.620 -1.711 1.00 0.00 H new ATOM 0 HE2 MET A 102 -5.975 -0.560 -1.091 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.361 0.726 -0.027 1.00 0.00 H new ATOM 1195 N GLY A 103 -4.828 -0.894 4.984 1.00 0.00 N ATOM 1196 CA GLY A 103 -5.326 -0.109 6.101 1.00 0.00 C ATOM 1197 C GLY A 103 -4.176 0.555 6.860 1.00 0.00 C ATOM 1198 O GLY A 103 -4.374 1.092 7.950 1.00 0.00 O ATOM 0 H GLY A 103 -4.740 -1.893 5.170 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.014 0.654 5.736 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -5.891 -0.750 6.778 1.00 0.00 H new ATOM 1202 N GLU A 104 -2.998 0.498 6.255 1.00 0.00 N ATOM 1203 CA GLU A 104 -1.816 1.087 6.861 1.00 0.00 C ATOM 1204 C GLU A 104 -1.094 1.983 5.852 1.00 0.00 C ATOM 1205 O GLU A 104 -0.425 2.942 6.236 1.00 0.00 O ATOM 1206 CB GLU A 104 -0.880 0.006 7.403 1.00 0.00 C ATOM 1207 CG GLU A 104 -1.426 -0.591 8.702 1.00 0.00 C ATOM 1208 CD GLU A 104 -0.465 -0.342 9.866 1.00 0.00 C ATOM 1209 OE1 GLU A 104 0.737 -0.631 9.682 1.00 0.00 O ATOM 1210 OE2 GLU A 104 -0.955 0.131 10.914 1.00 0.00 O ATOM 0 H GLU A 104 -2.837 0.053 5.351 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.132 1.702 7.704 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -0.759 -0.782 6.659 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.108 0.431 7.581 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.398 -0.152 8.928 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.581 -1.663 8.577 1.00 0.00 H new ATOM 1215 N LEU A 105 -1.253 1.638 4.583 1.00 0.00 N ATOM 1216 CA LEU A 105 -0.624 2.399 3.516 1.00 0.00 C ATOM 1217 C LEU A 105 -1.627 3.409 2.956 1.00 0.00 C ATOM 1218 O LEU A 105 -1.263 4.539 2.636 1.00 0.00 O ATOM 1219 CB LEU A 105 -0.041 1.459 2.460 1.00 0.00 C ATOM 1220 CG LEU A 105 -0.403 1.777 1.007 1.00 0.00 C ATOM 1221 CD1 LEU A 105 -1.874 1.460 0.726 1.00 0.00 C ATOM 1222 CD2 LEU A 105 -0.051 3.225 0.659 1.00 0.00 C ATOM 0 H LEU A 105 -1.808 0.842 4.269 1.00 0.00 H new ATOM 0 HA LEU A 105 0.221 2.970 3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.045 1.468 2.554 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -0.372 0.445 2.683 1.00 0.00 H new ATOM 0 HG LEU A 105 0.193 1.136 0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.105 1.695 -0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.059 0.401 0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.507 2.058 1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.318 3.425 -0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.603 3.901 1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.019 3.382 0.795 1.00 0.00 H new ATOM 1233 N TRP A 106 -2.871 2.964 2.854 1.00 0.00 N ATOM 1234 CA TRP A 106 -3.930 3.815 2.337 1.00 0.00 C ATOM 1235 C TRP A 106 -4.045 5.035 3.253 1.00 0.00 C ATOM 1236 O TRP A 106 -4.181 6.161 2.778 1.00 0.00 O ATOM 1237 CB TRP A 106 -5.242 3.039 2.206 1.00 0.00 C ATOM 1238 CG TRP A 106 -6.247 3.675 1.244 1.00 0.00 C ATOM 1239 CD1 TRP A 106 -7.440 4.212 1.534 1.00 0.00 C ATOM 1240 CD2 TRP A 106 -6.099 3.818 -0.184 1.00 0.00 C ATOM 1241 NE1 TRP A 106 -8.069 4.689 0.402 1.00 0.00 N ATOM 1242 CE2 TRP A 106 -7.226 4.442 -0.677 1.00 0.00 C ATOM 1243 CE3 TRP A 106 -5.045 3.433 -1.032 1.00 0.00 C ATOM 1244 CZ2 TRP A 106 -7.409 4.736 -2.032 1.00 0.00 C ATOM 1245 CZ3 TRP A 106 -5.243 3.734 -2.385 1.00 0.00 C ATOM 1246 CH2 TRP A 106 -6.373 4.362 -2.896 1.00 0.00 C ATOM 0 H TRP A 106 -3.169 2.026 3.120 1.00 0.00 H new ATOM 0 HA TRP A 106 -3.693 4.157 1.330 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -5.021 2.027 1.868 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -5.701 2.953 3.191 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -7.857 4.265 2.529 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -8.983 5.140 0.363 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -4.153 2.944 -0.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -8.302 5.225 -2.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -4.463 3.459 -3.080 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -6.451 4.560 -3.955 1.00 0.00 H new ATOM 1256 N PRO A 107 -3.985 4.762 4.584 1.00 0.00 N ATOM 1257 CA PRO A 107 -4.082 5.825 5.570 1.00 0.00 C ATOM 1258 C PRO A 107 -2.781 6.627 5.641 1.00 0.00 C ATOM 1259 O PRO A 107 -2.792 7.804 5.997 1.00 0.00 O ATOM 1260 CB PRO A 107 -4.416 5.120 6.875 1.00 0.00 C ATOM 1261 CG PRO A 107 -4.038 3.662 6.672 1.00 0.00 C ATOM 1262 CD PRO A 107 -3.825 3.440 5.183 1.00 0.00 C ATOM 0 HA PRO A 107 -4.847 6.561 5.322 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -3.861 5.555 7.706 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -5.475 5.219 7.112 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -3.132 3.421 7.228 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -4.825 3.008 7.047 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.835 3.031 4.981 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -4.550 2.733 4.780 1.00 0.00 H new ATOM 1267 N LEU A 108 -1.691 5.958 5.296 1.00 0.00 N ATOM 1268 CA LEU A 108 -0.384 6.594 5.316 1.00 0.00 C ATOM 1269 C LEU A 108 -0.402 7.812 4.390 1.00 0.00 C ATOM 1270 O LEU A 108 0.125 8.868 4.738 1.00 0.00 O ATOM 1271 CB LEU A 108 0.711 5.580 4.978 1.00 0.00 C ATOM 1272 CG LEU A 108 1.869 5.487 5.974 1.00 0.00 C ATOM 1273 CD1 LEU A 108 1.784 4.197 6.793 1.00 0.00 C ATOM 1274 CD2 LEU A 108 3.215 5.627 5.262 1.00 0.00 C ATOM 0 H LEU A 108 -1.686 4.982 5.001 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.151 6.957 6.317 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.252 4.595 4.891 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.119 5.829 3.998 1.00 0.00 H new ATOM 0 HG LEU A 108 1.787 6.319 6.674 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.618 4.155 7.493 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.845 4.178 7.346 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.828 3.338 6.124 1.00 0.00 H new ATOM 0 HD21 LEU A 108 4.022 5.557 5.992 1.00 0.00 H new ATOM 0 HD22 LEU A 108 3.322 4.830 4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 108 3.262 6.593 4.760 1.00 0.00 H new ATOM 1285 N LEU A 109 -1.011 7.625 3.229 1.00 0.00 N ATOM 1286 CA LEU A 109 -1.103 8.695 2.251 1.00 0.00 C ATOM 1287 C LEU A 109 -2.107 9.741 2.739 1.00 0.00 C ATOM 1288 O LEU A 109 -1.949 10.932 2.471 1.00 0.00 O ATOM 1289 CB LEU A 109 -1.429 8.129 0.867 1.00 0.00 C ATOM 1290 CG LEU A 109 -0.672 6.862 0.465 1.00 0.00 C ATOM 1291 CD1 LEU A 109 -1.261 6.252 -0.808 1.00 0.00 C ATOM 1292 CD2 LEU A 109 0.827 7.139 0.329 1.00 0.00 C ATOM 0 H LEU A 109 -1.446 6.748 2.943 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.142 9.199 2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.498 7.919 0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.227 8.900 0.124 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.792 6.125 1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.704 5.353 -1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.307 5.995 -0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.192 6.973 -1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.342 6.222 0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.989 7.900 -0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.220 7.493 1.282 1.00 0.00 H new ATOM 1303 N LEU A 110 -3.119 9.260 3.446 1.00 0.00 N ATOM 1304 CA LEU A 110 -4.149 10.138 3.975 1.00 0.00 C ATOM 1305 C LEU A 110 -3.491 11.260 4.780 1.00 0.00 C ATOM 1306 O LEU A 110 -3.845 12.428 4.627 1.00 0.00 O ATOM 1307 CB LEU A 110 -5.182 9.336 4.768 1.00 0.00 C ATOM 1308 CG LEU A 110 -6.390 8.830 3.976 1.00 0.00 C ATOM 1309 CD1 LEU A 110 -6.069 8.743 2.483 1.00 0.00 C ATOM 1310 CD2 LEU A 110 -6.891 7.496 4.533 1.00 0.00 C ATOM 0 H LEU A 110 -3.248 8.272 3.665 1.00 0.00 H new ATOM 0 HA LEU A 110 -4.702 10.609 3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.681 8.478 5.216 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.544 9.957 5.587 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.200 9.551 4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.944 8.381 1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -5.796 9.731 2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -5.237 8.055 2.329 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.750 7.159 3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.096 6.753 4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.185 7.624 5.575 1.00 0.00 H new ATOM 1321 N SER A 111 -2.546 10.866 5.621 1.00 0.00 N ATOM 1322 CA SER A 111 -1.836 11.825 6.451 1.00 0.00 C ATOM 1323 C SER A 111 -0.758 12.533 5.627 1.00 0.00 C ATOM 1324 O SER A 111 -0.459 13.702 5.864 1.00 0.00 O ATOM 1325 CB SER A 111 -1.212 11.142 7.669 1.00 0.00 C ATOM 1326 OG SER A 111 -0.282 11.990 8.339 1.00 0.00 O ATOM 0 H SER A 111 -2.255 9.896 5.746 1.00 0.00 H new ATOM 0 HA SER A 111 -2.552 12.564 6.810 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.000 10.848 8.363 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.708 10.229 7.354 1.00 0.00 H new ATOM 0 HG SER A 111 0.093 11.518 9.112 1.00 0.00 H new ATOM 1331 N ALA A 112 -0.203 11.794 4.679 1.00 0.00 N ATOM 1332 CA ALA A 112 0.836 12.335 3.819 1.00 0.00 C ATOM 1333 C ALA A 112 0.248 13.460 2.965 1.00 0.00 C ATOM 1334 O ALA A 112 0.837 14.535 2.857 1.00 0.00 O ATOM 1335 CB ALA A 112 1.435 11.211 2.972 1.00 0.00 C ATOM 0 H ALA A 112 -0.453 10.824 4.487 1.00 0.00 H new ATOM 0 HA ALA A 112 1.645 12.760 4.413 1.00 0.00 H new ATOM 0 HB1 ALA A 112 2.214 11.617 2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.864 10.452 3.626 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.654 10.762 2.359 1.00 0.00 H new ATOM 1341 N GLN A 113 -0.905 13.174 2.378 1.00 0.00 N ATOM 1342 CA GLN A 113 -1.578 14.148 1.536 1.00 0.00 C ATOM 1343 C GLN A 113 -1.911 15.406 2.341 1.00 0.00 C ATOM 1344 O GLN A 113 -2.179 16.461 1.768 1.00 0.00 O ATOM 1345 CB GLN A 113 -2.838 13.551 0.905 1.00 0.00 C ATOM 1346 CG GLN A 113 -3.884 13.227 1.972 1.00 0.00 C ATOM 1347 CD GLN A 113 -5.269 13.050 1.347 1.00 0.00 C ATOM 1348 OE1 GLN A 113 -6.179 13.834 1.556 1.00 0.00 O ATOM 1349 NE2 GLN A 113 -5.377 11.977 0.567 1.00 0.00 N ATOM 0 H GLN A 113 -1.390 12.281 2.469 1.00 0.00 H new ATOM 0 HA GLN A 113 -0.903 14.426 0.726 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -3.255 14.253 0.183 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -2.580 12.645 0.356 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -3.600 12.316 2.500 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -3.914 14.027 2.711 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -4.575 11.360 0.434 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -6.261 11.771 0.102 1.00 0.00 H new ATOM 1356 N GLU A 114 -1.883 15.252 3.657 1.00 0.00 N ATOM 1357 CA GLU A 114 -2.180 16.362 4.547 1.00 0.00 C ATOM 1358 C GLU A 114 -0.911 17.172 4.825 1.00 0.00 C ATOM 1359 O GLU A 114 -0.979 18.266 5.382 1.00 0.00 O ATOM 1360 CB GLU A 114 -2.811 15.867 5.849 1.00 0.00 C ATOM 1361 CG GLU A 114 -4.199 15.274 5.595 1.00 0.00 C ATOM 1362 CD GLU A 114 -5.276 16.060 6.346 1.00 0.00 C ATOM 1363 OE1 GLU A 114 -5.351 15.881 7.581 1.00 0.00 O ATOM 1364 OE2 GLU A 114 -6.000 16.821 5.669 1.00 0.00 O ATOM 0 H GLU A 114 -1.659 14.376 4.128 1.00 0.00 H new ATOM 0 HA GLU A 114 -2.904 17.013 4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -2.168 15.115 6.306 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -2.888 16.692 6.557 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.414 15.286 4.526 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -4.217 14.231 5.912 1.00 0.00 H new ATOM 1369 N ASN A 115 0.216 16.601 4.425 1.00 0.00 N ATOM 1370 CA ASN A 115 1.498 17.257 4.625 1.00 0.00 C ATOM 1371 C ASN A 115 1.760 18.220 3.465 1.00 0.00 C ATOM 1372 O ASN A 115 0.845 18.561 2.717 1.00 0.00 O ATOM 1373 CB ASN A 115 2.638 16.238 4.660 1.00 0.00 C ATOM 1374 CG ASN A 115 3.348 16.255 6.015 1.00 0.00 C ATOM 1375 OD1 ASN A 115 4.418 16.817 6.176 1.00 0.00 O ATOM 1376 ND2 ASN A 115 2.693 15.611 6.977 1.00 0.00 N ATOM 0 H ASN A 115 0.268 15.693 3.964 1.00 0.00 H new ATOM 0 HA ASN A 115 1.460 17.789 5.576 1.00 0.00 H new ATOM 0 HB2 ASN A 115 2.245 15.240 4.464 1.00 0.00 H new ATOM 0 HB3 ASN A 115 3.353 16.460 3.868 1.00 0.00 H new ATOM 0 HD21 ASN A 115 3.083 15.567 7.918 1.00 0.00 H new ATOM 0 HD22 ASN A 115 1.800 15.162 6.773 1.00 0.00 H new ATOM 1382 N ILE A 116 3.014 18.630 3.350 1.00 0.00 N ATOM 1383 CA ILE A 116 3.408 19.547 2.294 1.00 0.00 C ATOM 1384 C ILE A 116 4.305 18.813 1.296 1.00 0.00 C ATOM 1385 O ILE A 116 4.173 18.993 0.086 1.00 0.00 O ATOM 1386 CB ILE A 116 4.048 20.804 2.886 1.00 0.00 C ATOM 1387 CG1 ILE A 116 3.841 22.010 1.967 1.00 0.00 C ATOM 1388 CG2 ILE A 116 5.527 20.571 3.201 1.00 0.00 C ATOM 1389 CD1 ILE A 116 4.891 22.038 0.855 1.00 0.00 C ATOM 0 H ILE A 116 3.771 18.344 3.971 1.00 0.00 H new ATOM 0 HA ILE A 116 2.533 19.892 1.744 1.00 0.00 H new ATOM 0 HB ILE A 116 3.550 21.028 3.829 1.00 0.00 H new ATOM 0 HG12 ILE A 116 2.843 21.971 1.529 1.00 0.00 H new ATOM 0 HG13 ILE A 116 3.898 22.930 2.549 1.00 0.00 H new ATOM 0 HG21 ILE A 116 5.957 21.480 3.621 1.00 0.00 H new ATOM 0 HG22 ILE A 116 5.622 19.759 3.922 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.057 20.308 2.286 1.00 0.00 H new ATOM 0 HD11 ILE A 116 4.721 22.905 0.216 1.00 0.00 H new ATOM 0 HD12 ILE A 116 5.886 22.101 1.296 1.00 0.00 H new ATOM 0 HD13 ILE A 116 4.815 21.128 0.260 1.00 0.00 H new ATOM 1400 N ALA A 117 5.199 17.999 1.840 1.00 0.00 N ATOM 1401 CA ALA A 117 6.118 17.236 1.011 1.00 0.00 C ATOM 1402 C ALA A 117 5.472 15.901 0.637 1.00 0.00 C ATOM 1403 O ALA A 117 6.092 15.073 -0.029 1.00 0.00 O ATOM 1404 CB ALA A 117 7.444 17.054 1.754 1.00 0.00 C ATOM 0 H ALA A 117 5.306 17.851 2.844 1.00 0.00 H new ATOM 0 HA ALA A 117 6.333 17.769 0.085 1.00 0.00 H new ATOM 0 HB1 ALA A 117 8.133 16.482 1.133 1.00 0.00 H new ATOM 0 HB2 ALA A 117 7.876 18.031 1.971 1.00 0.00 H new ATOM 0 HB3 ALA A 117 7.268 16.519 2.687 1.00 0.00 H new ATOM 1410 N GLY A 118 4.235 15.733 1.079 1.00 0.00 N ATOM 1411 CA GLY A 118 3.498 14.513 0.799 1.00 0.00 C ATOM 1412 C GLY A 118 4.113 13.320 1.532 1.00 0.00 C ATOM 1413 O GLY A 118 4.196 12.223 0.981 1.00 0.00 O ATOM 0 H GLY A 118 3.724 16.423 1.630 1.00 0.00 H new ATOM 0 HA2 GLY A 118 2.458 14.634 1.103 1.00 0.00 H new ATOM 0 HA3 GLY A 118 3.496 14.323 -0.274 1.00 0.00 H new ATOM 1417 N ILE A 119 4.530 13.574 2.765 1.00 0.00 N ATOM 1418 CA ILE A 119 5.136 12.535 3.578 1.00 0.00 C ATOM 1419 C ILE A 119 4.256 12.274 4.802 1.00 0.00 C ATOM 1420 O ILE A 119 3.733 13.209 5.406 1.00 0.00 O ATOM 1421 CB ILE A 119 6.581 12.900 3.926 1.00 0.00 C ATOM 1422 CG1 ILE A 119 7.556 12.311 2.904 1.00 0.00 C ATOM 1423 CG2 ILE A 119 6.924 12.477 5.355 1.00 0.00 C ATOM 1424 CD1 ILE A 119 7.481 13.067 1.576 1.00 0.00 C ATOM 0 H ILE A 119 4.460 14.485 3.219 1.00 0.00 H new ATOM 0 HA ILE A 119 5.194 11.600 3.020 1.00 0.00 H new ATOM 0 HB ILE A 119 6.681 13.984 3.879 1.00 0.00 H new ATOM 0 HG12 ILE A 119 8.572 12.358 3.296 1.00 0.00 H new ATOM 0 HG13 ILE A 119 7.325 11.258 2.741 1.00 0.00 H new ATOM 0 HG21 ILE A 119 7.956 12.748 5.577 1.00 0.00 H new ATOM 0 HG22 ILE A 119 6.258 12.983 6.054 1.00 0.00 H new ATOM 0 HG23 ILE A 119 6.803 11.398 5.454 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.184 12.628 0.867 1.00 0.00 H new ATOM 0 HD12 ILE A 119 6.470 12.998 1.175 1.00 0.00 H new ATOM 0 HD13 ILE A 119 7.736 14.114 1.739 1.00 0.00 H new ATOM 1435 N PRO A 120 4.116 10.964 5.141 1.00 0.00 N ATOM 1436 CA PRO A 120 3.309 10.569 6.282 1.00 0.00 C ATOM 1437 C PRO A 120 4.034 10.867 7.596 1.00 0.00 C ATOM 1438 O PRO A 120 5.261 10.823 7.657 1.00 0.00 O ATOM 1439 CB PRO A 120 3.036 9.087 6.077 1.00 0.00 C ATOM 1440 CG PRO A 120 4.081 8.605 5.084 1.00 0.00 C ATOM 1441 CD PRO A 120 4.721 9.829 4.450 1.00 0.00 C ATOM 0 HA PRO A 120 2.375 11.127 6.350 1.00 0.00 H new ATOM 0 HB2 PRO A 120 3.111 8.542 7.018 1.00 0.00 H new ATOM 0 HB3 PRO A 120 2.029 8.925 5.694 1.00 0.00 H new ATOM 0 HG2 PRO A 120 4.834 7.998 5.587 1.00 0.00 H new ATOM 0 HG3 PRO A 120 3.622 7.976 4.321 1.00 0.00 H new ATOM 0 HD2 PRO A 120 5.804 9.820 4.576 1.00 0.00 H new ATOM 0 HD3 PRO A 120 4.525 9.868 3.378 1.00 0.00 H new ATOM 1446 N SER A 121 3.243 11.164 8.618 1.00 0.00 N ATOM 1447 CA SER A 121 3.792 11.470 9.926 1.00 0.00 C ATOM 1448 C SER A 121 4.556 10.259 10.469 1.00 0.00 C ATOM 1449 O SER A 121 5.354 10.388 11.396 1.00 0.00 O ATOM 1450 CB SER A 121 2.692 11.884 10.904 1.00 0.00 C ATOM 1451 OG SER A 121 1.859 10.785 11.267 1.00 0.00 O ATOM 0 H SER A 121 2.225 11.199 8.565 1.00 0.00 H new ATOM 0 HA SER A 121 4.479 12.309 9.819 1.00 0.00 H new ATOM 0 HB2 SER A 121 3.145 12.308 11.801 1.00 0.00 H new ATOM 0 HB3 SER A 121 2.083 12.668 10.454 1.00 0.00 H new ATOM 0 HG SER A 121 1.170 11.090 11.894 1.00 0.00 H new ATOM 1456 N ALA A 122 4.283 9.110 9.868 1.00 0.00 N ATOM 1457 CA ALA A 122 4.935 7.878 10.278 1.00 0.00 C ATOM 1458 C ALA A 122 6.447 8.022 10.102 1.00 0.00 C ATOM 1459 O ALA A 122 7.223 7.404 10.831 1.00 0.00 O ATOM 1460 CB ALA A 122 4.364 6.707 9.477 1.00 0.00 C ATOM 0 H ALA A 122 3.619 9.006 9.100 1.00 0.00 H new ATOM 0 HA ALA A 122 4.744 7.676 11.332 1.00 0.00 H new ATOM 0 HB1 ALA A 122 4.853 5.783 9.785 1.00 0.00 H new ATOM 0 HB2 ALA A 122 3.292 6.629 9.661 1.00 0.00 H new ATOM 0 HB3 ALA A 122 4.539 6.874 8.414 1.00 0.00 H new ATOM 1466 N PHE A 123 6.823 8.842 9.131 1.00 0.00 N ATOM 1467 CA PHE A 123 8.229 9.075 8.850 1.00 0.00 C ATOM 1468 C PHE A 123 8.706 10.381 9.489 1.00 0.00 C ATOM 1469 O PHE A 123 9.843 10.471 9.950 1.00 0.00 O ATOM 1470 CB PHE A 123 8.369 9.184 7.330 1.00 0.00 C ATOM 1471 CG PHE A 123 7.734 8.023 6.562 1.00 0.00 C ATOM 1472 CD1 PHE A 123 7.454 6.856 7.202 1.00 0.00 C ATOM 1473 CD2 PHE A 123 7.446 8.159 5.240 1.00 0.00 C ATOM 1474 CE1 PHE A 123 6.864 5.780 6.489 1.00 0.00 C ATOM 1475 CE2 PHE A 123 6.857 7.083 4.527 1.00 0.00 C ATOM 1476 CZ PHE A 123 6.578 5.915 5.166 1.00 0.00 C ATOM 0 H PHE A 123 6.178 9.353 8.529 1.00 0.00 H new ATOM 0 HA PHE A 123 8.830 8.262 9.257 1.00 0.00 H new ATOM 0 HB2 PHE A 123 7.913 10.117 6.999 1.00 0.00 H new ATOM 0 HB3 PHE A 123 9.428 9.239 7.076 1.00 0.00 H new ATOM 0 HD1 PHE A 123 7.681 6.748 8.252 1.00 0.00 H new ATOM 0 HD2 PHE A 123 7.666 9.087 4.732 1.00 0.00 H new ATOM 0 HE1 PHE A 123 6.642 4.853 6.997 1.00 0.00 H new ATOM 0 HE2 PHE A 123 6.630 7.191 3.477 1.00 0.00 H new ATOM 0 HZ PHE A 123 6.130 5.096 4.623 1.00 0.00 H new ATOM 1485 N LEU A 124 7.815 11.360 9.495 1.00 0.00 N ATOM 1486 CA LEU A 124 8.130 12.658 10.070 1.00 0.00 C ATOM 1487 C LEU A 124 8.617 12.467 11.508 1.00 0.00 C ATOM 1488 O LEU A 124 9.776 12.738 11.816 1.00 0.00 O ATOM 1489 CB LEU A 124 6.936 13.605 9.944 1.00 0.00 C ATOM 1490 CG LEU A 124 6.423 13.853 8.524 1.00 0.00 C ATOM 1491 CD1 LEU A 124 5.169 14.729 8.539 1.00 0.00 C ATOM 1492 CD2 LEU A 124 7.523 14.442 7.639 1.00 0.00 C ATOM 0 H LEU A 124 6.873 11.282 9.111 1.00 0.00 H new ATOM 0 HA LEU A 124 8.941 13.133 9.518 1.00 0.00 H new ATOM 0 HB2 LEU A 124 6.116 13.205 10.540 1.00 0.00 H new ATOM 0 HB3 LEU A 124 7.211 14.564 10.382 1.00 0.00 H new ATOM 0 HG LEU A 124 6.140 12.894 8.091 1.00 0.00 H new ATOM 0 HD11 LEU A 124 4.825 14.890 7.517 1.00 0.00 H new ATOM 0 HD12 LEU A 124 4.385 14.233 9.112 1.00 0.00 H new ATOM 0 HD13 LEU A 124 5.402 15.689 8.999 1.00 0.00 H new ATOM 0 HD21 LEU A 124 7.132 14.609 6.635 1.00 0.00 H new ATOM 0 HD22 LEU A 124 7.860 15.390 8.059 1.00 0.00 H new ATOM 0 HD23 LEU A 124 8.362 13.748 7.591 1.00 0.00 H new ATOM 1503 N GLU A 125 7.705 12.005 12.350 1.00 0.00 N ATOM 1504 CA GLU A 125 8.025 11.777 13.749 1.00 0.00 C ATOM 1505 C GLU A 125 9.450 11.235 13.885 1.00 0.00 C ATOM 1506 O GLU A 125 10.285 11.836 14.558 1.00 0.00 O ATOM 1507 CB GLU A 125 7.014 10.829 14.397 1.00 0.00 C ATOM 1508 CG GLU A 125 7.342 10.603 15.873 1.00 0.00 C ATOM 1509 CD GLU A 125 6.570 11.580 16.763 1.00 0.00 C ATOM 1510 OE1 GLU A 125 5.324 11.554 16.686 1.00 0.00 O ATOM 1511 OE2 GLU A 125 7.246 12.331 17.499 1.00 0.00 O ATOM 0 H GLU A 125 6.744 11.782 12.091 1.00 0.00 H new ATOM 0 HA GLU A 125 7.967 12.730 14.275 1.00 0.00 H new ATOM 0 HB2 GLU A 125 6.010 11.243 14.303 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.016 9.875 13.870 1.00 0.00 H new ATOM 0 HG2 GLU A 125 7.094 9.579 16.151 1.00 0.00 H new ATOM 0 HG3 GLU A 125 8.413 10.727 16.034 1.00 0.00 H new