USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 706 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 48 TYR OH : rot 0:sc= 0.724 USER MOD Set 1.2: A 98 LYS NZ :NH3+ 169:sc= 2.18 (180deg=0.931) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.56) USER MOD Single : A 17 ASN : amide:sc= -0.0268 K(o=-0.027,f=-1.7!) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -1.1! C(o=-1.1!,f=-2.9!) USER MOD Single : A 27 LYS NZ :NH3+ -168:sc=-0.00239 (180deg=-0.108) USER MOD Single : A 31 ASN : amide:sc= -3.51! C(o=-3.5!,f=-12!) USER MOD Single : A 36 LYS NZ :NH3+ -156:sc= 1.12 (180deg=0.781) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.134 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0277 K(o=-0.028,f=-0.72) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.15 K(o=-0.15,f=-0.79) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -17:sc= 0.269 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -156:sc= 0.333 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 151:sc= 0.0509 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 135 N GLY A 9 11.268 -2.338 -11.646 1.00 74.20 N ATOM 136 CA GLY A 9 10.287 -1.383 -12.126 1.00 62.13 C ATOM 137 C GLY A 9 10.831 0.023 -12.020 1.00 42.22 C ATOM 138 O GLY A 9 12.024 0.196 -11.756 1.00 64.04 O ATOM 0 HA2 GLY A 9 10.030 -1.604 -13.162 1.00 62.13 H new ATOM 0 HA3 GLY A 9 9.369 -1.470 -11.545 1.00 62.13 H new ATOM 142 N GLU A 10 9.985 1.029 -12.219 1.00 72.03 N ATOM 143 CA GLU A 10 10.428 2.414 -12.086 1.00 13.35 C ATOM 144 C GLU A 10 10.806 2.693 -10.636 1.00 20.05 C ATOM 145 O GLU A 10 11.886 3.222 -10.353 1.00 34.13 O ATOM 146 CB GLU A 10 9.348 3.398 -12.545 1.00 33.32 C ATOM 147 CG GLU A 10 9.816 4.850 -12.504 1.00 34.12 C ATOM 148 CD GLU A 10 8.750 5.836 -12.940 1.00 61.14 C ATOM 149 OE1 GLU A 10 8.221 5.690 -14.062 1.00 33.42 O ATOM 150 OE2 GLU A 10 8.453 6.779 -12.177 1.00 22.33 O ATOM 0 H GLU A 10 9.003 0.915 -12.469 1.00 72.03 H new ATOM 0 HA GLU A 10 11.298 2.555 -12.727 1.00 13.35 H new ATOM 0 HB2 GLU A 10 9.043 3.148 -13.561 1.00 33.32 H new ATOM 0 HB3 GLU A 10 8.468 3.286 -11.911 1.00 33.32 H new ATOM 0 HG2 GLU A 10 10.134 5.094 -11.490 1.00 34.12 H new ATOM 0 HG3 GLU A 10 10.689 4.961 -13.147 1.00 34.12 H new ATOM 157 N ILE A 11 9.902 2.343 -9.725 1.00 32.41 N ATOM 158 CA ILE A 11 10.167 2.414 -8.294 1.00 53.30 C ATOM 159 C ILE A 11 9.856 1.062 -7.655 1.00 14.52 C ATOM 160 O ILE A 11 8.729 0.805 -7.218 1.00 24.12 O ATOM 161 CB ILE A 11 9.333 3.529 -7.597 1.00 25.34 C ATOM 162 CG1 ILE A 11 9.596 4.892 -8.262 1.00 34.34 C ATOM 163 CG2 ILE A 11 9.653 3.588 -6.100 1.00 43.31 C ATOM 164 CD1 ILE A 11 8.850 6.047 -7.624 1.00 23.52 C ATOM 0 H ILE A 11 8.969 2.004 -9.958 1.00 32.41 H new ATOM 0 HA ILE A 11 11.220 2.663 -8.161 1.00 53.30 H new ATOM 0 HB ILE A 11 8.276 3.289 -7.710 1.00 25.34 H new ATOM 0 HG12 ILE A 11 10.665 5.101 -8.227 1.00 34.34 H new ATOM 0 HG13 ILE A 11 9.317 4.831 -9.314 1.00 34.34 H new ATOM 0 HG21 ILE A 11 9.060 4.374 -5.632 1.00 43.31 H new ATOM 0 HG22 ILE A 11 9.415 2.630 -5.639 1.00 43.31 H new ATOM 0 HG23 ILE A 11 10.713 3.803 -5.963 1.00 43.31 H new ATOM 0 HD11 ILE A 11 9.090 6.971 -8.151 1.00 23.52 H new ATOM 0 HD12 ILE A 11 7.777 5.864 -7.683 1.00 23.52 H new ATOM 0 HD13 ILE A 11 9.146 6.138 -6.579 1.00 23.52 H new ATOM 176 N MET A 12 10.854 0.188 -7.654 1.00 73.01 N ATOM 177 CA MET A 12 10.717 -1.150 -7.086 1.00 0.20 C ATOM 178 C MET A 12 10.892 -1.108 -5.572 1.00 64.10 C ATOM 179 O MET A 12 11.832 -0.495 -5.058 1.00 42.41 O ATOM 180 CB MET A 12 11.739 -2.118 -7.713 1.00 11.34 C ATOM 181 CG MET A 12 13.179 -1.619 -7.663 1.00 11.51 C ATOM 182 SD MET A 12 13.452 -0.209 -8.756 1.00 44.01 S ATOM 183 CE MET A 12 15.087 0.321 -8.251 1.00 35.41 C ATOM 0 H MET A 12 11.776 0.383 -8.044 1.00 73.01 H new ATOM 0 HA MET A 12 9.715 -1.513 -7.313 1.00 0.20 H new ATOM 0 HB2 MET A 12 11.680 -3.076 -7.197 1.00 11.34 H new ATOM 0 HB3 MET A 12 11.464 -2.297 -8.752 1.00 11.34 H new ATOM 0 HG2 MET A 12 13.428 -1.337 -6.640 1.00 11.51 H new ATOM 0 HG3 MET A 12 13.852 -2.429 -7.943 1.00 11.51 H new ATOM 0 HE1 MET A 12 15.388 1.186 -8.842 1.00 35.41 H new ATOM 0 HE2 MET A 12 15.072 0.590 -7.195 1.00 35.41 H new ATOM 0 HE3 MET A 12 15.797 -0.491 -8.408 1.00 35.41 H new ATOM 193 N ILE A 13 9.976 -1.755 -4.862 1.00 33.23 N ATOM 194 CA ILE A 13 10.013 -1.816 -3.406 1.00 54.13 C ATOM 195 C ILE A 13 10.087 -3.274 -2.959 1.00 10.54 C ATOM 196 O ILE A 13 9.080 -3.977 -2.933 1.00 70.42 O ATOM 197 CB ILE A 13 8.754 -1.155 -2.778 1.00 50.15 C ATOM 198 CG1 ILE A 13 8.482 0.229 -3.401 1.00 73.05 C ATOM 199 CG2 ILE A 13 8.903 -1.041 -1.259 1.00 1.24 C ATOM 200 CD1 ILE A 13 9.542 1.268 -3.104 1.00 41.15 C ATOM 0 H ILE A 13 9.188 -2.251 -5.278 1.00 33.23 H new ATOM 0 HA ILE A 13 10.894 -1.270 -3.068 1.00 54.13 H new ATOM 0 HB ILE A 13 7.899 -1.795 -2.994 1.00 50.15 H new ATOM 0 HG12 ILE A 13 8.394 0.116 -4.482 1.00 73.05 H new ATOM 0 HG13 ILE A 13 7.521 0.594 -3.039 1.00 73.05 H new ATOM 0 HG21 ILE A 13 8.011 -0.576 -0.840 1.00 1.24 H new ATOM 0 HG22 ILE A 13 9.029 -2.035 -0.830 1.00 1.24 H new ATOM 0 HG23 ILE A 13 9.775 -0.431 -1.024 1.00 1.24 H new ATOM 0 HD11 ILE A 13 9.271 2.210 -3.580 1.00 41.15 H new ATOM 0 HD12 ILE A 13 9.617 1.414 -2.026 1.00 41.15 H new ATOM 0 HD13 ILE A 13 10.503 0.929 -3.491 1.00 41.15 H new ATOM 212 N LEU A 14 11.284 -3.739 -2.638 1.00 34.04 N ATOM 213 CA LEU A 14 11.477 -5.107 -2.170 1.00 60.35 C ATOM 214 C LEU A 14 11.658 -5.104 -0.658 1.00 0.23 C ATOM 215 O LEU A 14 12.552 -4.431 -0.137 1.00 12.42 O ATOM 216 CB LEU A 14 12.690 -5.757 -2.863 1.00 23.23 C ATOM 217 CG LEU A 14 12.439 -6.314 -4.284 1.00 54.01 C ATOM 218 CD1 LEU A 14 11.887 -5.240 -5.222 1.00 20.21 C ATOM 219 CD2 LEU A 14 13.722 -6.917 -4.855 1.00 1.11 C ATOM 0 H LEU A 14 12.141 -3.189 -2.693 1.00 34.04 H new ATOM 0 HA LEU A 14 10.596 -5.697 -2.423 1.00 60.35 H new ATOM 0 HB2 LEU A 14 13.490 -5.019 -2.919 1.00 23.23 H new ATOM 0 HB3 LEU A 14 13.051 -6.571 -2.233 1.00 23.23 H new ATOM 0 HG LEU A 14 11.686 -7.098 -4.204 1.00 54.01 H new ATOM 0 HD11 LEU A 14 11.724 -5.669 -6.210 1.00 20.21 H new ATOM 0 HD12 LEU A 14 10.942 -4.864 -4.829 1.00 20.21 H new ATOM 0 HD13 LEU A 14 12.601 -4.420 -5.296 1.00 20.21 H new ATOM 0 HD21 LEU A 14 13.528 -7.304 -5.855 1.00 1.11 H new ATOM 0 HD22 LEU A 14 14.494 -6.149 -4.907 1.00 1.11 H new ATOM 0 HD23 LEU A 14 14.061 -7.729 -4.211 1.00 1.11 H new ATOM 231 N ILE A 15 10.798 -5.833 0.045 1.00 12.30 N ATOM 232 CA ILE A 15 10.829 -5.867 1.502 1.00 22.24 C ATOM 233 C ILE A 15 10.315 -7.209 2.030 1.00 3.12 C ATOM 234 O ILE A 15 9.326 -7.743 1.522 1.00 42.33 O ATOM 235 CB ILE A 15 9.991 -4.702 2.102 1.00 12.14 C ATOM 236 CG1 ILE A 15 10.006 -4.748 3.642 1.00 72.12 C ATOM 237 CG2 ILE A 15 8.556 -4.735 1.572 1.00 51.41 C ATOM 238 CD1 ILE A 15 9.221 -3.634 4.301 1.00 33.40 C ATOM 0 H ILE A 15 10.068 -6.410 -0.373 1.00 12.30 H new ATOM 0 HA ILE A 15 11.867 -5.746 1.813 1.00 22.24 H new ATOM 0 HB ILE A 15 10.448 -3.763 1.788 1.00 12.14 H new ATOM 0 HG12 ILE A 15 9.602 -5.706 3.970 1.00 72.12 H new ATOM 0 HG13 ILE A 15 11.039 -4.703 3.986 1.00 72.12 H new ATOM 0 HG21 ILE A 15 7.989 -3.911 2.005 1.00 51.41 H new ATOM 0 HG22 ILE A 15 8.567 -4.637 0.486 1.00 51.41 H new ATOM 0 HG23 ILE A 15 8.089 -5.681 1.846 1.00 51.41 H new ATOM 0 HD11 ILE A 15 9.281 -3.738 5.384 1.00 33.40 H new ATOM 0 HD12 ILE A 15 9.637 -2.671 4.005 1.00 33.40 H new ATOM 0 HD13 ILE A 15 8.178 -3.690 3.989 1.00 33.40 H new ATOM 250 N GLN A 16 11.014 -7.751 3.033 1.00 3.43 N ATOM 251 CA GLN A 16 10.613 -8.998 3.700 1.00 71.52 C ATOM 252 C GLN A 16 10.411 -10.136 2.696 1.00 10.32 C ATOM 253 O GLN A 16 9.421 -10.869 2.767 1.00 40.42 O ATOM 254 CB GLN A 16 9.333 -8.781 4.529 1.00 51.32 C ATOM 255 CG GLN A 16 9.504 -7.805 5.690 1.00 44.41 C ATOM 256 CD GLN A 16 10.575 -8.242 6.678 1.00 35.43 C ATOM 257 OE1 GLN A 16 10.809 -9.435 6.877 1.00 12.52 O ATOM 258 NE2 GLN A 16 11.236 -7.279 7.297 1.00 71.53 N ATOM 0 H GLN A 16 11.870 -7.341 3.405 1.00 3.43 H new ATOM 0 HA GLN A 16 11.423 -9.286 4.370 1.00 71.52 H new ATOM 0 HB2 GLN A 16 8.545 -8.414 3.872 1.00 51.32 H new ATOM 0 HB3 GLN A 16 8.999 -9.742 4.921 1.00 51.32 H new ATOM 0 HG2 GLN A 16 9.760 -6.821 5.296 1.00 44.41 H new ATOM 0 HG3 GLN A 16 8.554 -7.702 6.214 1.00 44.41 H new ATOM 0 HE21 GLN A 16 11.013 -6.302 7.105 1.00 71.53 H new ATOM 0 HE22 GLN A 16 11.969 -7.513 7.967 1.00 71.53 H new ATOM 267 N ASN A 17 11.363 -10.278 1.773 1.00 63.04 N ATOM 268 CA ASN A 17 11.323 -11.335 0.758 1.00 24.03 C ATOM 269 C ASN A 17 10.046 -11.240 -0.074 1.00 32.43 C ATOM 270 O ASN A 17 9.442 -12.255 -0.438 1.00 4.32 O ATOM 271 CB ASN A 17 11.446 -12.731 1.397 1.00 65.32 C ATOM 272 CG ASN A 17 12.831 -13.005 1.959 1.00 54.54 C ATOM 273 OD1 ASN A 17 13.527 -12.096 2.412 1.00 51.54 O ATOM 274 ND2 ASN A 17 13.245 -14.264 1.937 1.00 13.10 N ATOM 0 H ASN A 17 12.179 -9.669 1.707 1.00 63.04 H new ATOM 0 HA ASN A 17 12.178 -11.191 0.098 1.00 24.03 H new ATOM 0 HB2 ASN A 17 10.710 -12.825 2.196 1.00 65.32 H new ATOM 0 HB3 ASN A 17 11.206 -13.489 0.651 1.00 65.32 H new ATOM 0 HD21 ASN A 17 14.166 -14.504 2.303 1.00 13.10 H new ATOM 0 HD22 ASN A 17 12.642 -14.992 1.554 1.00 13.10 H new ATOM 281 N ALA A 18 9.638 -10.015 -0.376 1.00 44.15 N ATOM 282 CA ALA A 18 8.484 -9.780 -1.228 1.00 11.11 C ATOM 283 C ALA A 18 8.777 -8.660 -2.219 1.00 32.31 C ATOM 284 O ALA A 18 9.450 -7.681 -1.886 1.00 34.34 O ATOM 285 CB ALA A 18 7.256 -9.455 -0.384 1.00 10.33 C ATOM 0 H ALA A 18 10.093 -9.166 -0.041 1.00 44.15 H new ATOM 0 HA ALA A 18 8.275 -10.688 -1.793 1.00 11.11 H new ATOM 0 HB1 ALA A 18 6.401 -9.282 -1.037 1.00 10.33 H new ATOM 0 HB2 ALA A 18 7.041 -10.291 0.282 1.00 10.33 H new ATOM 0 HB3 ALA A 18 7.448 -8.560 0.208 1.00 10.33 H new ATOM 291 N GLU A 19 8.276 -8.826 -3.436 1.00 75.22 N ATOM 292 CA GLU A 19 8.523 -7.884 -4.517 1.00 73.12 C ATOM 293 C GLU A 19 7.308 -6.981 -4.724 1.00 53.44 C ATOM 294 O GLU A 19 6.230 -7.454 -5.092 1.00 43.23 O ATOM 295 CB GLU A 19 8.833 -8.662 -5.802 1.00 0.35 C ATOM 296 CG GLU A 19 9.249 -7.796 -6.980 1.00 10.33 C ATOM 297 CD GLU A 19 9.463 -8.615 -8.243 1.00 33.04 C ATOM 298 OE1 GLU A 19 8.469 -8.923 -8.938 1.00 23.21 O ATOM 299 OE2 GLU A 19 10.620 -8.960 -8.542 1.00 51.20 O ATOM 0 H GLU A 19 7.688 -9.616 -3.700 1.00 75.22 H new ATOM 0 HA GLU A 19 9.375 -7.255 -4.260 1.00 73.12 H new ATOM 0 HB2 GLU A 19 9.629 -9.378 -5.595 1.00 0.35 H new ATOM 0 HB3 GLU A 19 7.952 -9.238 -6.084 1.00 0.35 H new ATOM 0 HG2 GLU A 19 8.484 -7.041 -7.163 1.00 10.33 H new ATOM 0 HG3 GLU A 19 10.168 -7.265 -6.733 1.00 10.33 H new ATOM 306 N PHE A 20 7.480 -5.693 -4.453 1.00 53.00 N ATOM 307 CA PHE A 20 6.436 -4.699 -4.695 1.00 10.03 C ATOM 308 C PHE A 20 6.945 -3.651 -5.680 1.00 41.23 C ATOM 309 O PHE A 20 8.149 -3.551 -5.927 1.00 21.54 O ATOM 310 CB PHE A 20 6.030 -3.988 -3.390 1.00 25.51 C ATOM 311 CG PHE A 20 5.520 -4.897 -2.299 1.00 34.12 C ATOM 312 CD1 PHE A 20 6.399 -5.521 -1.426 1.00 44.24 C ATOM 313 CD2 PHE A 20 4.159 -5.112 -2.135 1.00 31.44 C ATOM 314 CE1 PHE A 20 5.934 -6.343 -0.419 1.00 21.55 C ATOM 315 CE2 PHE A 20 3.689 -5.932 -1.127 1.00 61.23 C ATOM 316 CZ PHE A 20 4.577 -6.549 -0.269 1.00 23.24 C ATOM 0 H PHE A 20 8.340 -5.308 -4.062 1.00 53.00 H new ATOM 0 HA PHE A 20 5.568 -5.218 -5.101 1.00 10.03 H new ATOM 0 HB2 PHE A 20 6.891 -3.438 -3.011 1.00 25.51 H new ATOM 0 HB3 PHE A 20 5.259 -3.253 -3.620 1.00 25.51 H new ATOM 0 HD1 PHE A 20 7.462 -5.362 -1.536 1.00 44.24 H new ATOM 0 HD2 PHE A 20 3.459 -4.633 -2.803 1.00 31.44 H new ATOM 0 HE1 PHE A 20 6.631 -6.824 0.251 1.00 21.55 H new ATOM 0 HE2 PHE A 20 2.627 -6.090 -1.010 1.00 61.23 H new ATOM 0 HZ PHE A 20 4.211 -7.192 0.518 1.00 23.24 H new ATOM 326 N GLU A 21 6.026 -2.876 -6.239 1.00 3.14 N ATOM 327 CA GLU A 21 6.382 -1.705 -7.031 1.00 71.43 C ATOM 328 C GLU A 21 5.309 -0.636 -6.844 1.00 53.13 C ATOM 329 O GLU A 21 4.140 -0.959 -6.591 1.00 54.13 O ATOM 330 CB GLU A 21 6.548 -2.057 -8.523 1.00 14.43 C ATOM 331 CG GLU A 21 5.240 -2.275 -9.278 1.00 45.44 C ATOM 332 CD GLU A 21 5.459 -2.574 -10.758 1.00 20.05 C ATOM 333 OE1 GLU A 21 5.742 -1.628 -11.523 1.00 72.10 O ATOM 334 OE2 GLU A 21 5.339 -3.753 -11.164 1.00 12.35 O ATOM 0 H GLU A 21 5.022 -3.038 -6.158 1.00 3.14 H new ATOM 0 HA GLU A 21 7.344 -1.326 -6.685 1.00 71.43 H new ATOM 0 HB2 GLU A 21 7.104 -1.256 -9.011 1.00 14.43 H new ATOM 0 HB3 GLU A 21 7.153 -2.960 -8.604 1.00 14.43 H new ATOM 0 HG2 GLU A 21 4.695 -3.101 -8.821 1.00 45.44 H new ATOM 0 HG3 GLU A 21 4.616 -1.387 -9.179 1.00 45.44 H new ATOM 341 N LEU A 22 5.709 0.630 -6.929 1.00 50.12 N ATOM 342 CA LEU A 22 4.768 1.737 -6.798 1.00 30.00 C ATOM 343 C LEU A 22 3.929 1.850 -8.067 1.00 72.35 C ATOM 344 O LEU A 22 4.408 2.333 -9.097 1.00 31.13 O ATOM 345 CB LEU A 22 5.511 3.054 -6.526 1.00 71.41 C ATOM 346 CG LEU A 22 4.611 4.291 -6.342 1.00 41.04 C ATOM 347 CD1 LEU A 22 3.668 4.108 -5.156 1.00 53.21 C ATOM 348 CD2 LEU A 22 5.458 5.551 -6.173 1.00 24.41 C ATOM 0 H LEU A 22 6.676 0.914 -7.088 1.00 50.12 H new ATOM 0 HA LEU A 22 4.110 1.541 -5.951 1.00 30.00 H new ATOM 0 HB2 LEU A 22 6.119 2.931 -5.630 1.00 71.41 H new ATOM 0 HB3 LEU A 22 6.196 3.243 -7.352 1.00 71.41 H new ATOM 0 HG LEU A 22 4.003 4.405 -7.239 1.00 41.04 H new ATOM 0 HD11 LEU A 22 3.044 4.995 -5.047 1.00 53.21 H new ATOM 0 HD12 LEU A 22 3.035 3.237 -5.325 1.00 53.21 H new ATOM 0 HD13 LEU A 22 4.251 3.961 -4.247 1.00 53.21 H new ATOM 0 HD21 LEU A 22 4.805 6.414 -6.044 1.00 24.41 H new ATOM 0 HD22 LEU A 22 6.096 5.445 -5.296 1.00 24.41 H new ATOM 0 HD23 LEU A 22 6.078 5.694 -7.058 1.00 24.41 H new ATOM 360 N VAL A 23 2.686 1.377 -7.991 1.00 75.01 N ATOM 361 CA VAL A 23 1.794 1.367 -9.147 1.00 20.33 C ATOM 362 C VAL A 23 0.938 2.631 -9.202 1.00 60.42 C ATOM 363 O VAL A 23 0.452 3.013 -10.268 1.00 53.12 O ATOM 364 CB VAL A 23 0.873 0.118 -9.149 1.00 73.03 C ATOM 365 CG1 VAL A 23 1.703 -1.163 -9.193 1.00 13.31 C ATOM 366 CG2 VAL A 23 -0.063 0.121 -7.940 1.00 4.40 C ATOM 0 H VAL A 23 2.274 0.995 -7.139 1.00 75.01 H new ATOM 0 HA VAL A 23 2.430 1.332 -10.031 1.00 20.33 H new ATOM 0 HB VAL A 23 0.256 0.156 -10.047 1.00 73.03 H new ATOM 0 HG11 VAL A 23 1.039 -2.027 -9.194 1.00 13.31 H new ATOM 0 HG12 VAL A 23 2.311 -1.172 -10.098 1.00 13.31 H new ATOM 0 HG13 VAL A 23 2.353 -1.206 -8.319 1.00 13.31 H new ATOM 0 HG21 VAL A 23 -0.696 -0.766 -7.968 1.00 4.40 H new ATOM 0 HG22 VAL A 23 0.527 0.117 -7.023 1.00 4.40 H new ATOM 0 HG23 VAL A 23 -0.688 1.014 -7.966 1.00 4.40 H new ATOM 376 N HIS A 24 0.755 3.280 -8.052 1.00 31.43 N ATOM 377 CA HIS A 24 -0.073 4.483 -7.975 1.00 31.44 C ATOM 378 C HIS A 24 0.326 5.324 -6.766 1.00 3.01 C ATOM 379 O HIS A 24 0.521 4.796 -5.675 1.00 41.40 O ATOM 380 CB HIS A 24 -1.558 4.095 -7.884 1.00 64.33 C ATOM 381 CG HIS A 24 -2.508 5.253 -8.008 1.00 50.34 C ATOM 382 ND1 HIS A 24 -3.010 5.688 -9.215 1.00 43.01 N ATOM 383 CD2 HIS A 24 -3.062 6.054 -7.064 1.00 45.00 C ATOM 384 CE1 HIS A 24 -3.828 6.703 -9.010 1.00 13.15 C ATOM 385 NE2 HIS A 24 -3.880 6.945 -7.714 1.00 4.42 N ATOM 0 H HIS A 24 1.167 2.994 -7.164 1.00 31.43 H new ATOM 0 HA HIS A 24 0.083 5.074 -8.877 1.00 31.44 H new ATOM 0 HB2 HIS A 24 -1.781 3.371 -8.668 1.00 64.33 H new ATOM 0 HB3 HIS A 24 -1.734 3.596 -6.931 1.00 64.33 H new ATOM 0 HD2 HIS A 24 -2.891 6.001 -5.999 1.00 45.00 H new ATOM 0 HE1 HIS A 24 -4.365 7.245 -9.775 1.00 13.15 H new ATOM 0 HE2 HIS A 24 -4.437 7.674 -7.268 1.00 4.42 H new ATOM 394 N ASN A 25 0.443 6.629 -6.969 1.00 42.23 N ATOM 395 CA ASN A 25 0.801 7.560 -5.898 1.00 53.32 C ATOM 396 C ASN A 25 0.045 8.871 -6.084 1.00 34.41 C ATOM 397 O ASN A 25 -0.084 9.362 -7.208 1.00 55.43 O ATOM 398 CB ASN A 25 2.316 7.816 -5.901 1.00 72.12 C ATOM 399 CG ASN A 25 2.765 8.830 -4.857 1.00 52.01 C ATOM 400 OD1 ASN A 25 2.162 8.963 -3.789 1.00 41.35 O ATOM 401 ND2 ASN A 25 3.830 9.557 -5.164 1.00 42.31 N ATOM 0 H ASN A 25 0.294 7.074 -7.874 1.00 42.23 H new ATOM 0 HA ASN A 25 0.526 7.122 -4.938 1.00 53.32 H new ATOM 0 HB2 ASN A 25 2.836 6.874 -5.727 1.00 72.12 H new ATOM 0 HB3 ASN A 25 2.615 8.167 -6.889 1.00 72.12 H new ATOM 0 HD21 ASN A 25 4.177 10.255 -4.507 1.00 42.31 H new ATOM 0 HD22 ASN A 25 4.302 9.418 -6.057 1.00 42.31 H new ATOM 408 N PHE A 26 -0.466 9.425 -4.990 1.00 32.53 N ATOM 409 CA PHE A 26 -1.243 10.659 -5.044 1.00 13.13 C ATOM 410 C PHE A 26 -0.836 11.585 -3.899 1.00 64.21 C ATOM 411 O PHE A 26 -0.660 11.135 -2.764 1.00 54.30 O ATOM 412 CB PHE A 26 -2.744 10.336 -4.973 1.00 20.05 C ATOM 413 CG PHE A 26 -3.637 11.470 -5.410 1.00 55.22 C ATOM 414 CD1 PHE A 26 -4.032 12.452 -4.517 1.00 61.42 C ATOM 415 CD2 PHE A 26 -4.083 11.549 -6.724 1.00 54.40 C ATOM 416 CE1 PHE A 26 -4.849 13.489 -4.921 1.00 54.15 C ATOM 417 CE2 PHE A 26 -4.902 12.584 -7.132 1.00 22.20 C ATOM 418 CZ PHE A 26 -5.286 13.557 -6.228 1.00 33.52 C ATOM 0 H PHE A 26 -0.356 9.038 -4.053 1.00 32.53 H new ATOM 0 HA PHE A 26 -1.042 11.168 -5.987 1.00 13.13 H new ATOM 0 HB2 PHE A 26 -2.948 9.466 -5.597 1.00 20.05 H new ATOM 0 HB3 PHE A 26 -2.998 10.061 -3.949 1.00 20.05 H new ATOM 0 HD1 PHE A 26 -3.697 12.406 -3.491 1.00 61.42 H new ATOM 0 HD2 PHE A 26 -3.786 10.792 -7.435 1.00 54.40 H new ATOM 0 HE1 PHE A 26 -5.147 14.248 -4.213 1.00 54.15 H new ATOM 0 HE2 PHE A 26 -5.242 12.633 -8.156 1.00 22.20 H new ATOM 0 HZ PHE A 26 -5.926 14.368 -6.544 1.00 33.52 H new ATOM 428 N LYS A 27 -0.657 12.868 -4.220 1.00 12.42 N ATOM 429 CA LYS A 27 -0.295 13.892 -3.233 1.00 64.24 C ATOM 430 C LYS A 27 1.073 13.587 -2.611 1.00 21.40 C ATOM 431 O LYS A 27 1.415 14.113 -1.548 1.00 44.23 O ATOM 432 CB LYS A 27 -1.383 13.989 -2.137 1.00 24.54 C ATOM 433 CG LYS A 27 -1.803 15.417 -1.764 1.00 60.00 C ATOM 434 CD LYS A 27 -2.913 15.959 -2.673 1.00 54.14 C ATOM 435 CE LYS A 27 -2.424 16.281 -4.085 1.00 52.41 C ATOM 436 NZ LYS A 27 -1.486 17.432 -4.097 1.00 0.02 N ATOM 0 H LYS A 27 -0.758 13.228 -5.169 1.00 12.42 H new ATOM 0 HA LYS A 27 -0.229 14.854 -3.742 1.00 64.24 H new ATOM 0 HB2 LYS A 27 -2.265 13.443 -2.472 1.00 24.54 H new ATOM 0 HB3 LYS A 27 -1.020 13.487 -1.240 1.00 24.54 H new ATOM 0 HG2 LYS A 27 -2.145 15.433 -0.729 1.00 60.00 H new ATOM 0 HG3 LYS A 27 -0.936 16.075 -1.823 1.00 60.00 H new ATOM 0 HD2 LYS A 27 -3.718 15.226 -2.731 1.00 54.14 H new ATOM 0 HD3 LYS A 27 -3.334 16.860 -2.226 1.00 54.14 H new ATOM 0 HE2 LYS A 27 -1.930 15.406 -4.507 1.00 52.41 H new ATOM 0 HE3 LYS A 27 -3.279 16.503 -4.724 1.00 52.41 H new ATOM 0 HZ1 LYS A 27 -1.336 17.748 -5.077 1.00 0.02 H new ATOM 0 HZ2 LYS A 27 -1.887 18.213 -3.539 1.00 0.02 H new ATOM 0 HZ3 LYS A 27 -0.576 17.143 -3.684 1.00 0.02 H new ATOM 450 N ASP A 28 1.859 12.755 -3.304 1.00 34.03 N ATOM 451 CA ASP A 28 3.155 12.284 -2.800 1.00 72.32 C ATOM 452 C ASP A 28 2.990 11.582 -1.455 1.00 61.14 C ATOM 453 O ASP A 28 3.889 11.609 -0.614 1.00 74.21 O ATOM 454 CB ASP A 28 4.173 13.436 -2.681 1.00 75.12 C ATOM 455 CG ASP A 28 4.677 13.921 -4.032 1.00 70.44 C ATOM 456 OD1 ASP A 28 5.370 13.148 -4.729 1.00 44.25 O ATOM 457 OD2 ASP A 28 4.389 15.079 -4.405 1.00 11.43 O ATOM 0 H ASP A 28 1.617 12.391 -4.225 1.00 34.03 H new ATOM 0 HA ASP A 28 3.544 11.568 -3.524 1.00 72.32 H new ATOM 0 HB2 ASP A 28 3.712 14.269 -2.150 1.00 75.12 H new ATOM 0 HB3 ASP A 28 5.020 13.105 -2.080 1.00 75.12 H new ATOM 462 N GLY A 29 1.843 10.929 -1.274 1.00 61.11 N ATOM 463 CA GLY A 29 1.562 10.226 -0.033 1.00 51.13 C ATOM 464 C GLY A 29 2.489 9.044 0.188 1.00 42.21 C ATOM 465 O GLY A 29 2.584 8.519 1.299 1.00 51.34 O ATOM 0 H GLY A 29 1.099 10.875 -1.970 1.00 61.11 H new ATOM 0 HA2 GLY A 29 1.657 10.919 0.803 1.00 51.13 H new ATOM 0 HA3 GLY A 29 0.529 9.877 -0.043 1.00 51.13 H new ATOM 469 N PHE A 30 3.156 8.613 -0.879 1.00 43.51 N ATOM 470 CA PHE A 30 4.111 7.513 -0.803 1.00 73.44 C ATOM 471 C PHE A 30 5.387 7.940 -0.086 1.00 64.12 C ATOM 472 O PHE A 30 5.970 8.978 -0.403 1.00 40.33 O ATOM 473 CB PHE A 30 4.452 6.996 -2.209 1.00 32.23 C ATOM 474 CG PHE A 30 5.540 5.949 -2.212 1.00 52.34 C ATOM 475 CD1 PHE A 30 5.293 4.668 -1.736 1.00 31.43 C ATOM 476 CD2 PHE A 30 6.815 6.251 -2.676 1.00 44.43 C ATOM 477 CE1 PHE A 30 6.290 3.711 -1.726 1.00 34.23 C ATOM 478 CE2 PHE A 30 7.815 5.297 -2.665 1.00 74.54 C ATOM 479 CZ PHE A 30 7.553 4.028 -2.190 1.00 22.10 C ATOM 0 H PHE A 30 3.051 9.012 -1.812 1.00 43.51 H new ATOM 0 HA PHE A 30 3.646 6.710 -0.231 1.00 73.44 H new ATOM 0 HB2 PHE A 30 3.553 6.578 -2.663 1.00 32.23 H new ATOM 0 HB3 PHE A 30 4.763 7.835 -2.832 1.00 32.23 H new ATOM 0 HD1 PHE A 30 4.309 4.416 -1.369 1.00 31.43 H new ATOM 0 HD2 PHE A 30 7.027 7.242 -3.049 1.00 44.43 H new ATOM 0 HE1 PHE A 30 6.083 2.718 -1.356 1.00 34.23 H new ATOM 0 HE2 PHE A 30 8.802 5.545 -3.028 1.00 74.54 H new ATOM 0 HZ PHE A 30 8.335 3.283 -2.181 1.00 22.10 H new ATOM 489 N ASN A 31 5.807 7.133 0.880 1.00 62.25 N ATOM 490 CA ASN A 31 7.080 7.330 1.566 1.00 13.31 C ATOM 491 C ASN A 31 7.566 5.989 2.113 1.00 75.21 C ATOM 492 O ASN A 31 6.836 5.312 2.844 1.00 74.13 O ATOM 493 CB ASN A 31 6.943 8.360 2.701 1.00 71.30 C ATOM 494 CG ASN A 31 8.286 8.738 3.310 1.00 35.30 C ATOM 495 OD1 ASN A 31 9.221 7.936 3.336 1.00 55.44 O ATOM 496 ND2 ASN A 31 8.390 9.958 3.812 1.00 65.41 N ATOM 0 H ASN A 31 5.278 6.326 1.210 1.00 62.25 H new ATOM 0 HA ASN A 31 7.810 7.720 0.856 1.00 13.31 H new ATOM 0 HB2 ASN A 31 6.457 9.257 2.317 1.00 71.30 H new ATOM 0 HB3 ASN A 31 6.296 7.955 3.479 1.00 71.30 H new ATOM 0 HD21 ASN A 31 9.266 10.261 4.238 1.00 65.41 H new ATOM 0 HD22 ASN A 31 7.594 10.595 3.773 1.00 65.41 H new ATOM 503 N GLU A 32 8.790 5.609 1.753 1.00 5.12 N ATOM 504 CA GLU A 32 9.331 4.297 2.105 1.00 54.24 C ATOM 505 C GLU A 32 9.411 4.110 3.621 1.00 52.53 C ATOM 506 O GLU A 32 8.924 3.110 4.151 1.00 24.43 O ATOM 507 CB GLU A 32 10.723 4.095 1.491 1.00 23.51 C ATOM 508 CG GLU A 32 11.288 2.694 1.727 1.00 72.02 C ATOM 509 CD GLU A 32 12.770 2.582 1.408 1.00 31.55 C ATOM 510 OE1 GLU A 32 13.134 2.603 0.213 1.00 43.00 O ATOM 511 OE2 GLU A 32 13.580 2.473 2.353 1.00 41.33 O ATOM 0 H GLU A 32 9.429 6.194 1.215 1.00 5.12 H new ATOM 0 HA GLU A 32 8.648 3.551 1.699 1.00 54.24 H new ATOM 0 HB2 GLU A 32 10.671 4.283 0.419 1.00 23.51 H new ATOM 0 HB3 GLU A 32 11.408 4.832 1.910 1.00 23.51 H new ATOM 0 HG2 GLU A 32 11.125 2.415 2.768 1.00 72.02 H new ATOM 0 HG3 GLU A 32 10.737 1.980 1.115 1.00 72.02 H new ATOM 518 N GLU A 33 10.011 5.082 4.316 1.00 35.12 N ATOM 519 CA GLU A 33 10.264 4.952 5.755 1.00 20.33 C ATOM 520 C GLU A 33 8.962 4.735 6.527 1.00 21.05 C ATOM 521 O GLU A 33 8.940 4.034 7.540 1.00 32.10 O ATOM 522 CB GLU A 33 11.019 6.175 6.301 1.00 2.51 C ATOM 523 CG GLU A 33 10.274 7.495 6.147 1.00 10.54 C ATOM 524 CD GLU A 33 11.059 8.680 6.689 1.00 53.43 C ATOM 525 OE1 GLU A 33 12.080 9.054 6.073 1.00 71.21 O ATOM 526 OE2 GLU A 33 10.654 9.249 7.728 1.00 43.03 O ATOM 0 H GLU A 33 10.329 5.962 3.909 1.00 35.12 H new ATOM 0 HA GLU A 33 10.894 4.074 5.898 1.00 20.33 H new ATOM 0 HB2 GLU A 33 11.232 6.013 7.358 1.00 2.51 H new ATOM 0 HB3 GLU A 33 11.979 6.252 5.790 1.00 2.51 H new ATOM 0 HG2 GLU A 33 10.054 7.662 5.093 1.00 10.54 H new ATOM 0 HG3 GLU A 33 9.318 7.430 6.666 1.00 10.54 H new ATOM 533 N ALA A 34 7.881 5.333 6.036 1.00 4.50 N ATOM 534 CA ALA A 34 6.566 5.171 6.648 1.00 45.04 C ATOM 535 C ALA A 34 5.958 3.824 6.254 1.00 71.40 C ATOM 536 O ALA A 34 5.385 3.116 7.087 1.00 41.44 O ATOM 537 CB ALA A 34 5.655 6.325 6.237 1.00 41.14 C ATOM 0 H ALA A 34 7.890 5.936 5.213 1.00 4.50 H new ATOM 0 HA ALA A 34 6.673 5.187 7.733 1.00 45.04 H new ATOM 0 HB1 ALA A 34 4.675 6.197 6.698 1.00 41.14 H new ATOM 0 HB2 ALA A 34 6.091 7.268 6.567 1.00 41.14 H new ATOM 0 HB3 ALA A 34 5.547 6.335 5.152 1.00 41.14 H new ATOM 543 N PHE A 35 6.111 3.470 4.979 1.00 72.34 N ATOM 544 CA PHE A 35 5.593 2.211 4.443 1.00 64.02 C ATOM 545 C PHE A 35 6.168 1.013 5.204 1.00 35.45 C ATOM 546 O PHE A 35 5.428 0.221 5.789 1.00 25.04 O ATOM 547 CB PHE A 35 5.929 2.103 2.943 1.00 75.30 C ATOM 548 CG PHE A 35 5.625 0.751 2.333 1.00 52.30 C ATOM 549 CD1 PHE A 35 4.342 0.432 1.911 1.00 72.02 C ATOM 550 CD2 PHE A 35 6.627 -0.200 2.182 1.00 60.42 C ATOM 551 CE1 PHE A 35 4.066 -0.804 1.355 1.00 33.51 C ATOM 552 CE2 PHE A 35 6.354 -1.437 1.627 1.00 22.20 C ATOM 553 CZ PHE A 35 5.072 -1.739 1.215 1.00 11.33 C ATOM 0 H PHE A 35 6.596 4.045 4.290 1.00 72.34 H new ATOM 0 HA PHE A 35 4.510 2.202 4.569 1.00 64.02 H new ATOM 0 HB2 PHE A 35 5.371 2.867 2.402 1.00 75.30 H new ATOM 0 HB3 PHE A 35 6.987 2.322 2.803 1.00 75.30 H new ATOM 0 HD1 PHE A 35 3.549 1.158 2.018 1.00 72.02 H new ATOM 0 HD2 PHE A 35 7.632 0.030 2.502 1.00 60.42 H new ATOM 0 HE1 PHE A 35 3.063 -1.038 1.030 1.00 33.51 H new ATOM 0 HE2 PHE A 35 7.143 -2.166 1.516 1.00 22.20 H new ATOM 0 HZ PHE A 35 4.856 -2.705 0.784 1.00 11.33 H new ATOM 563 N LYS A 36 7.493 0.909 5.210 1.00 61.34 N ATOM 564 CA LYS A 36 8.188 -0.242 5.784 1.00 34.33 C ATOM 565 C LYS A 36 7.941 -0.352 7.290 1.00 33.42 C ATOM 566 O LYS A 36 8.120 -1.418 7.880 1.00 13.15 O ATOM 567 CB LYS A 36 9.693 -0.143 5.478 1.00 11.11 C ATOM 568 CG LYS A 36 10.395 1.037 6.149 1.00 60.24 C ATOM 569 CD LYS A 36 11.679 1.434 5.418 1.00 72.21 C ATOM 570 CE LYS A 36 12.652 0.268 5.262 1.00 3.13 C ATOM 571 NZ LYS A 36 13.877 0.665 4.515 1.00 74.31 N ATOM 0 H LYS A 36 8.115 1.617 4.819 1.00 61.34 H new ATOM 0 HA LYS A 36 7.791 -1.149 5.327 1.00 34.33 H new ATOM 0 HB2 LYS A 36 10.178 -1.067 5.794 1.00 11.11 H new ATOM 0 HB3 LYS A 36 9.828 -0.065 4.399 1.00 11.11 H new ATOM 0 HG2 LYS A 36 9.718 1.891 6.181 1.00 60.24 H new ATOM 0 HG3 LYS A 36 10.631 0.779 7.181 1.00 60.24 H new ATOM 0 HD2 LYS A 36 11.425 1.825 4.433 1.00 72.21 H new ATOM 0 HD3 LYS A 36 12.169 2.240 5.964 1.00 72.21 H new ATOM 0 HE2 LYS A 36 12.932 -0.106 6.247 1.00 3.13 H new ATOM 0 HE3 LYS A 36 12.157 -0.551 4.739 1.00 3.13 H new ATOM 0 HZ1 LYS A 36 14.306 -0.176 4.079 1.00 74.31 H new ATOM 0 HZ2 LYS A 36 13.625 1.349 3.773 1.00 74.31 H new ATOM 0 HZ3 LYS A 36 14.557 1.100 5.170 1.00 74.31 H new ATOM 585 N ALA A 37 7.525 0.751 7.904 1.00 44.31 N ATOM 586 CA ALA A 37 7.220 0.773 9.331 1.00 60.53 C ATOM 587 C ALA A 37 5.799 0.269 9.592 1.00 73.51 C ATOM 588 O ALA A 37 5.564 -0.504 10.524 1.00 20.41 O ATOM 589 CB ALA A 37 7.392 2.183 9.890 1.00 34.13 C ATOM 0 H ALA A 37 7.391 1.646 7.433 1.00 44.31 H new ATOM 0 HA ALA A 37 7.918 0.107 9.838 1.00 60.53 H new ATOM 0 HB1 ALA A 37 7.161 2.183 10.955 1.00 34.13 H new ATOM 0 HB2 ALA A 37 8.421 2.510 9.742 1.00 34.13 H new ATOM 0 HB3 ALA A 37 6.717 2.864 9.372 1.00 34.13 H new ATOM 595 N ARG A 38 4.854 0.704 8.758 1.00 64.11 N ATOM 596 CA ARG A 38 3.441 0.363 8.942 1.00 22.24 C ATOM 597 C ARG A 38 3.055 -0.894 8.159 1.00 32.02 C ATOM 598 O ARG A 38 1.903 -1.338 8.211 1.00 12.43 O ATOM 599 CB ARG A 38 2.554 1.546 8.528 1.00 4.05 C ATOM 600 CG ARG A 38 2.703 2.781 9.420 1.00 63.34 C ATOM 601 CD ARG A 38 1.965 2.631 10.753 1.00 4.12 C ATOM 602 NE ARG A 38 2.410 1.467 11.533 1.00 34.35 N ATOM 603 CZ ARG A 38 3.057 1.541 12.700 1.00 42.33 C ATOM 604 NH1 ARG A 38 3.355 2.721 13.227 1.00 45.34 N ATOM 605 NH2 ARG A 38 3.392 0.429 13.340 1.00 65.05 N ATOM 0 H ARG A 38 5.041 1.294 7.947 1.00 64.11 H new ATOM 0 HA ARG A 38 3.284 0.151 10.000 1.00 22.24 H new ATOM 0 HB2 ARG A 38 2.792 1.822 7.501 1.00 4.05 H new ATOM 0 HB3 ARG A 38 1.512 1.226 8.539 1.00 4.05 H new ATOM 0 HG2 ARG A 38 3.761 2.962 9.612 1.00 63.34 H new ATOM 0 HG3 ARG A 38 2.321 3.655 8.893 1.00 63.34 H new ATOM 0 HD2 ARG A 38 2.111 3.534 11.345 1.00 4.12 H new ATOM 0 HD3 ARG A 38 0.896 2.544 10.561 1.00 4.12 H new ATOM 0 HE ARG A 38 2.211 0.540 11.158 1.00 34.35 H new ATOM 0 HH11 ARG A 38 3.090 3.578 12.741 1.00 45.34 H new ATOM 0 HH12 ARG A 38 3.849 2.772 14.118 1.00 45.34 H new ATOM 0 HH21 ARG A 38 3.156 -0.480 12.941 1.00 65.05 H new ATOM 0 HH22 ARG A 38 3.886 0.482 14.231 1.00 65.05 H new ATOM 619 N TYR A 39 4.015 -1.454 7.429 1.00 32.13 N ATOM 620 CA TYR A 39 3.810 -2.719 6.729 1.00 72.12 C ATOM 621 C TYR A 39 3.609 -3.846 7.743 1.00 72.15 C ATOM 622 O TYR A 39 4.249 -3.865 8.795 1.00 14.21 O ATOM 623 CB TYR A 39 5.007 -3.023 5.810 1.00 15.44 C ATOM 624 CG TYR A 39 4.939 -4.384 5.132 1.00 21.14 C ATOM 625 CD1 TYR A 39 4.008 -4.641 4.128 1.00 4.41 C ATOM 626 CD2 TYR A 39 5.804 -5.411 5.501 1.00 34.44 C ATOM 627 CE1 TYR A 39 3.943 -5.880 3.514 1.00 43.40 C ATOM 628 CE2 TYR A 39 5.744 -6.651 4.893 1.00 33.25 C ATOM 629 CZ TYR A 39 4.813 -6.882 3.901 1.00 62.42 C ATOM 630 OH TYR A 39 4.750 -8.123 3.298 1.00 43.42 O ATOM 0 H TYR A 39 4.944 -1.051 7.306 1.00 32.13 H new ATOM 0 HA TYR A 39 2.917 -2.642 6.109 1.00 72.12 H new ATOM 0 HB2 TYR A 39 5.069 -2.250 5.044 1.00 15.44 H new ATOM 0 HB3 TYR A 39 5.925 -2.966 6.395 1.00 15.44 H new ATOM 0 HD1 TYR A 39 3.326 -3.861 3.824 1.00 4.41 H new ATOM 0 HD2 TYR A 39 6.535 -5.236 6.276 1.00 34.44 H new ATOM 0 HE1 TYR A 39 3.216 -6.063 2.736 1.00 43.40 H new ATOM 0 HE2 TYR A 39 6.423 -7.436 5.193 1.00 33.25 H new ATOM 0 HH TYR A 39 5.432 -8.710 3.686 1.00 43.42 H new ATOM 640 N SER A 40 2.716 -4.778 7.426 1.00 0.13 N ATOM 641 CA SER A 40 2.402 -5.876 8.329 1.00 1.45 C ATOM 642 C SER A 40 2.233 -7.175 7.547 1.00 44.04 C ATOM 643 O SER A 40 1.958 -7.160 6.344 1.00 72.53 O ATOM 644 CB SER A 40 1.131 -5.556 9.132 1.00 20.02 C ATOM 645 OG SER A 40 0.877 -6.543 10.120 1.00 11.04 O ATOM 0 H SER A 40 2.197 -4.793 6.548 1.00 0.13 H new ATOM 0 HA SER A 40 3.229 -6.003 9.028 1.00 1.45 H new ATOM 0 HB2 SER A 40 1.236 -4.581 9.609 1.00 20.02 H new ATOM 0 HB3 SER A 40 0.279 -5.489 8.455 1.00 20.02 H new ATOM 0 HG SER A 40 0.063 -6.310 10.614 1.00 11.04 H new ATOM 651 N ASP A 41 2.392 -8.294 8.249 1.00 35.03 N ATOM 652 CA ASP A 41 2.380 -9.621 7.639 1.00 51.31 C ATOM 653 C ASP A 41 1.042 -9.931 6.961 1.00 4.15 C ATOM 654 O ASP A 41 1.013 -10.393 5.818 1.00 74.22 O ATOM 655 CB ASP A 41 2.687 -10.683 8.704 1.00 52.51 C ATOM 656 CG ASP A 41 2.686 -12.095 8.140 1.00 11.34 C ATOM 657 OD1 ASP A 41 3.676 -12.479 7.476 1.00 2.02 O ATOM 658 OD2 ASP A 41 1.702 -12.832 8.366 1.00 41.42 O ATOM 0 H ASP A 41 2.533 -8.306 9.259 1.00 35.03 H new ATOM 0 HA ASP A 41 3.149 -9.638 6.866 1.00 51.31 H new ATOM 0 HB2 ASP A 41 3.660 -10.475 9.150 1.00 52.51 H new ATOM 0 HB3 ASP A 41 1.949 -10.615 9.503 1.00 52.51 H new ATOM 663 N ILE A 42 -0.058 -9.673 7.669 1.00 74.32 N ATOM 664 CA ILE A 42 -1.402 -9.973 7.159 1.00 41.40 C ATOM 665 C ILE A 42 -1.660 -9.272 5.822 1.00 75.24 C ATOM 666 O ILE A 42 -2.371 -9.791 4.960 1.00 32.20 O ATOM 667 CB ILE A 42 -2.502 -9.559 8.178 1.00 61.52 C ATOM 668 CG1 ILE A 42 -3.899 -9.993 7.692 1.00 74.11 C ATOM 669 CG2 ILE A 42 -2.466 -8.051 8.432 1.00 71.10 C ATOM 670 CD1 ILE A 42 -4.057 -11.493 7.544 1.00 54.02 C ATOM 0 H ILE A 42 -0.047 -9.256 8.600 1.00 74.32 H new ATOM 0 HA ILE A 42 -1.448 -11.052 7.009 1.00 41.40 H new ATOM 0 HB ILE A 42 -2.297 -10.071 9.118 1.00 61.52 H new ATOM 0 HG12 ILE A 42 -4.648 -9.626 8.394 1.00 74.11 H new ATOM 0 HG13 ILE A 42 -4.103 -9.519 6.732 1.00 74.11 H new ATOM 0 HG21 ILE A 42 -3.244 -7.784 9.148 1.00 71.10 H new ATOM 0 HG22 ILE A 42 -1.492 -7.773 8.834 1.00 71.10 H new ATOM 0 HG23 ILE A 42 -2.637 -7.520 7.495 1.00 71.10 H new ATOM 0 HD11 ILE A 42 -5.066 -11.720 7.199 1.00 54.02 H new ATOM 0 HD12 ILE A 42 -3.333 -11.865 6.819 1.00 54.02 H new ATOM 0 HD13 ILE A 42 -3.886 -11.974 8.507 1.00 54.02 H new ATOM 682 N LEU A 43 -1.046 -8.108 5.649 1.00 44.32 N ATOM 683 CA LEU A 43 -1.270 -7.283 4.468 1.00 53.30 C ATOM 684 C LEU A 43 -0.713 -7.956 3.211 1.00 51.25 C ATOM 685 O LEU A 43 -1.242 -7.782 2.115 1.00 13.45 O ATOM 686 CB LEU A 43 -0.621 -5.908 4.664 1.00 64.54 C ATOM 687 CG LEU A 43 -1.121 -5.109 5.880 1.00 41.23 C ATOM 688 CD1 LEU A 43 -0.365 -3.787 6.002 1.00 24.35 C ATOM 689 CD2 LEU A 43 -2.627 -4.869 5.783 1.00 0.33 C ATOM 0 H LEU A 43 -0.384 -7.712 6.317 1.00 44.32 H new ATOM 0 HA LEU A 43 -2.345 -7.159 4.335 1.00 53.30 H new ATOM 0 HB2 LEU A 43 0.456 -6.044 4.758 1.00 64.54 H new ATOM 0 HB3 LEU A 43 -0.790 -5.314 3.766 1.00 64.54 H new ATOM 0 HG LEU A 43 -0.928 -5.694 6.780 1.00 41.23 H new ATOM 0 HD11 LEU A 43 -0.733 -3.236 6.868 1.00 24.35 H new ATOM 0 HD12 LEU A 43 0.700 -3.987 6.124 1.00 24.35 H new ATOM 0 HD13 LEU A 43 -0.522 -3.194 5.101 1.00 24.35 H new ATOM 0 HD21 LEU A 43 -2.962 -4.302 6.652 1.00 0.33 H new ATOM 0 HD22 LEU A 43 -2.848 -4.307 4.876 1.00 0.33 H new ATOM 0 HD23 LEU A 43 -3.147 -5.827 5.752 1.00 0.33 H new ATOM 701 N ASN A 44 0.340 -8.741 3.396 1.00 53.22 N ATOM 702 CA ASN A 44 1.054 -9.381 2.288 1.00 40.41 C ATOM 703 C ASN A 44 0.118 -10.213 1.402 1.00 60.13 C ATOM 704 O ASN A 44 0.157 -10.110 0.174 1.00 33.53 O ATOM 705 CB ASN A 44 2.175 -10.273 2.848 1.00 61.24 C ATOM 706 CG ASN A 44 2.977 -10.987 1.770 1.00 41.44 C ATOM 707 OD1 ASN A 44 3.165 -10.474 0.668 1.00 70.34 O ATOM 708 ND2 ASN A 44 3.457 -12.179 2.089 1.00 21.53 N ATOM 0 H ASN A 44 0.727 -8.955 4.315 1.00 53.22 H new ATOM 0 HA ASN A 44 1.477 -8.594 1.665 1.00 40.41 H new ATOM 0 HB2 ASN A 44 2.850 -9.662 3.447 1.00 61.24 H new ATOM 0 HB3 ASN A 44 1.739 -11.015 3.517 1.00 61.24 H new ATOM 0 HD21 ASN A 44 4.005 -12.707 1.410 1.00 21.53 H new ATOM 0 HD22 ASN A 44 3.279 -12.570 3.014 1.00 21.53 H new ATOM 715 N LYS A 45 -0.747 -11.012 2.031 1.00 13.50 N ATOM 716 CA LYS A 45 -1.581 -11.974 1.299 1.00 12.30 C ATOM 717 C LYS A 45 -2.667 -11.290 0.465 1.00 52.14 C ATOM 718 O LYS A 45 -3.305 -11.932 -0.377 1.00 13.34 O ATOM 719 CB LYS A 45 -2.233 -12.984 2.256 1.00 33.12 C ATOM 720 CG LYS A 45 -3.131 -12.355 3.320 1.00 62.32 C ATOM 721 CD LYS A 45 -4.088 -13.379 3.928 1.00 43.32 C ATOM 722 CE LYS A 45 -3.354 -14.584 4.509 1.00 42.12 C ATOM 723 NZ LYS A 45 -4.295 -15.653 4.936 1.00 24.51 N ATOM 0 H LYS A 45 -0.890 -11.014 3.041 1.00 13.50 H new ATOM 0 HA LYS A 45 -0.912 -12.500 0.618 1.00 12.30 H new ATOM 0 HB2 LYS A 45 -2.822 -13.691 1.672 1.00 33.12 H new ATOM 0 HB3 LYS A 45 -1.448 -13.556 2.752 1.00 33.12 H new ATOM 0 HG2 LYS A 45 -2.514 -11.921 4.107 1.00 62.32 H new ATOM 0 HG3 LYS A 45 -3.703 -11.540 2.878 1.00 62.32 H new ATOM 0 HD2 LYS A 45 -4.677 -12.902 4.712 1.00 43.32 H new ATOM 0 HD3 LYS A 45 -4.788 -13.717 3.164 1.00 43.32 H new ATOM 0 HE2 LYS A 45 -2.665 -14.983 3.765 1.00 42.12 H new ATOM 0 HE3 LYS A 45 -2.754 -14.267 5.362 1.00 42.12 H new ATOM 0 HZ1 LYS A 45 -3.757 -16.454 5.325 1.00 24.51 H new ATOM 0 HZ2 LYS A 45 -4.936 -15.280 5.665 1.00 24.51 H new ATOM 0 HZ3 LYS A 45 -4.850 -15.974 4.117 1.00 24.51 H new ATOM 737 N TYR A 46 -2.894 -10.001 0.699 1.00 11.54 N ATOM 738 CA TYR A 46 -3.889 -9.255 -0.067 1.00 74.31 C ATOM 739 C TYR A 46 -3.400 -9.021 -1.493 1.00 12.22 C ATOM 740 O TYR A 46 -4.205 -8.880 -2.413 1.00 62.43 O ATOM 741 CB TYR A 46 -4.211 -7.914 0.604 1.00 14.41 C ATOM 742 CG TYR A 46 -4.975 -8.039 1.911 1.00 42.13 C ATOM 743 CD1 TYR A 46 -6.316 -8.409 1.928 1.00 23.42 C ATOM 744 CD2 TYR A 46 -4.359 -7.770 3.127 1.00 74.53 C ATOM 745 CE1 TYR A 46 -7.016 -8.504 3.117 1.00 20.44 C ATOM 746 CE2 TYR A 46 -5.052 -7.868 4.319 1.00 72.33 C ATOM 747 CZ TYR A 46 -6.378 -8.234 4.308 1.00 21.30 C ATOM 748 OH TYR A 46 -7.071 -8.321 5.492 1.00 64.55 O ATOM 0 H TYR A 46 -2.406 -9.453 1.408 1.00 11.54 H new ATOM 0 HA TYR A 46 -4.801 -9.851 -0.098 1.00 74.31 H new ATOM 0 HB2 TYR A 46 -3.279 -7.381 0.791 1.00 14.41 H new ATOM 0 HB3 TYR A 46 -4.793 -7.305 -0.087 1.00 14.41 H new ATOM 0 HD1 TYR A 46 -6.819 -8.626 0.997 1.00 23.42 H new ATOM 0 HD2 TYR A 46 -3.319 -7.479 3.141 1.00 74.53 H new ATOM 0 HE1 TYR A 46 -8.058 -8.788 3.112 1.00 20.44 H new ATOM 0 HE2 TYR A 46 -4.555 -7.658 5.255 1.00 72.33 H new ATOM 0 HH TYR A 46 -6.474 -8.100 6.237 1.00 64.55 H new ATOM 758 N ASP A 47 -2.072 -8.996 -1.658 1.00 1.41 N ATOM 759 CA ASP A 47 -1.423 -8.764 -2.958 1.00 22.21 C ATOM 760 C ASP A 47 -1.475 -7.276 -3.339 1.00 52.12 C ATOM 761 O ASP A 47 -0.935 -6.858 -4.365 1.00 61.44 O ATOM 762 CB ASP A 47 -2.081 -9.638 -4.049 1.00 41.13 C ATOM 763 CG ASP A 47 -1.342 -9.625 -5.376 1.00 74.23 C ATOM 764 OD1 ASP A 47 -0.415 -10.439 -5.549 1.00 40.15 O ATOM 765 OD2 ASP A 47 -1.707 -8.827 -6.265 1.00 3.34 O ATOM 0 H ASP A 47 -1.413 -9.136 -0.892 1.00 1.41 H new ATOM 0 HA ASP A 47 -0.374 -9.049 -2.876 1.00 22.21 H new ATOM 0 HB2 ASP A 47 -2.144 -10.665 -3.689 1.00 41.13 H new ATOM 0 HB3 ASP A 47 -3.103 -9.294 -4.210 1.00 41.13 H new ATOM 770 N TYR A 48 -2.081 -6.468 -2.469 1.00 70.42 N ATOM 771 CA TYR A 48 -2.186 -5.023 -2.677 1.00 71.14 C ATOM 772 C TYR A 48 -2.041 -4.289 -1.352 1.00 34.23 C ATOM 773 O TYR A 48 -2.744 -4.599 -0.389 1.00 30.41 O ATOM 774 CB TYR A 48 -3.531 -4.654 -3.325 1.00 51.04 C ATOM 775 CG TYR A 48 -3.660 -5.126 -4.758 1.00 30.21 C ATOM 776 CD1 TYR A 48 -3.206 -4.338 -5.807 1.00 30.21 C ATOM 777 CD2 TYR A 48 -4.216 -6.365 -5.058 1.00 2.13 C ATOM 778 CE1 TYR A 48 -3.305 -4.768 -7.116 1.00 13.11 C ATOM 779 CE2 TYR A 48 -4.320 -6.799 -6.363 1.00 44.11 C ATOM 780 CZ TYR A 48 -3.862 -5.999 -7.388 1.00 62.41 C ATOM 781 OH TYR A 48 -3.956 -6.436 -8.689 1.00 51.32 O ATOM 0 H TYR A 48 -2.511 -6.794 -1.604 1.00 70.42 H new ATOM 0 HA TYR A 48 -1.382 -4.722 -3.349 1.00 71.14 H new ATOM 0 HB2 TYR A 48 -4.340 -5.084 -2.735 1.00 51.04 H new ATOM 0 HB3 TYR A 48 -3.655 -3.572 -3.295 1.00 51.04 H new ATOM 0 HD1 TYR A 48 -2.768 -3.373 -5.596 1.00 30.21 H new ATOM 0 HD2 TYR A 48 -4.572 -6.997 -4.257 1.00 2.13 H new ATOM 0 HE1 TYR A 48 -2.948 -4.143 -7.921 1.00 13.11 H new ATOM 0 HE2 TYR A 48 -4.758 -7.762 -6.581 1.00 44.11 H new ATOM 0 HH TYR A 48 -3.579 -5.759 -9.289 1.00 51.32 H new ATOM 791 N ILE A 49 -1.126 -3.327 -1.308 1.00 1.23 N ATOM 792 CA ILE A 49 -0.915 -2.513 -0.117 1.00 24.23 C ATOM 793 C ILE A 49 -1.181 -1.048 -0.448 1.00 13.14 C ATOM 794 O ILE A 49 -0.449 -0.444 -1.230 1.00 73.10 O ATOM 795 CB ILE A 49 0.534 -2.629 0.422 1.00 11.42 C ATOM 796 CG1 ILE A 49 0.983 -4.100 0.502 1.00 35.12 C ATOM 797 CG2 ILE A 49 0.640 -1.959 1.794 1.00 11.12 C ATOM 798 CD1 ILE A 49 0.149 -4.950 1.434 1.00 45.11 C ATOM 0 H ILE A 49 -0.515 -3.091 -2.090 1.00 1.23 H new ATOM 0 HA ILE A 49 -1.601 -2.878 0.648 1.00 24.23 H new ATOM 0 HB ILE A 49 1.198 -2.117 -0.274 1.00 11.42 H new ATOM 0 HG12 ILE A 49 0.948 -4.534 -0.497 1.00 35.12 H new ATOM 0 HG13 ILE A 49 2.022 -4.134 0.829 1.00 35.12 H new ATOM 0 HG21 ILE A 49 1.662 -2.046 2.164 1.00 11.12 H new ATOM 0 HG22 ILE A 49 0.375 -0.905 1.706 1.00 11.12 H new ATOM 0 HG23 ILE A 49 -0.041 -2.448 2.491 1.00 11.12 H new ATOM 0 HD11 ILE A 49 0.530 -5.971 1.434 1.00 45.11 H new ATOM 0 HD12 ILE A 49 0.203 -4.543 2.444 1.00 45.11 H new ATOM 0 HD13 ILE A 49 -0.888 -4.949 1.097 1.00 45.11 H new ATOM 810 N VAL A 50 -2.223 -0.481 0.136 1.00 20.02 N ATOM 811 CA VAL A 50 -2.559 0.920 -0.082 1.00 42.41 C ATOM 812 C VAL A 50 -2.647 1.656 1.249 1.00 45.31 C ATOM 813 O VAL A 50 -3.429 1.285 2.124 1.00 12.40 O ATOM 814 CB VAL A 50 -3.876 1.075 -0.885 1.00 34.14 C ATOM 815 CG1 VAL A 50 -4.952 0.136 -0.356 1.00 43.21 C ATOM 816 CG2 VAL A 50 -4.361 2.527 -0.867 1.00 33.54 C ATOM 0 H VAL A 50 -2.856 -0.971 0.769 1.00 20.02 H new ATOM 0 HA VAL A 50 -1.762 1.366 -0.677 1.00 42.41 H new ATOM 0 HB VAL A 50 -3.671 0.801 -1.920 1.00 34.14 H new ATOM 0 HG11 VAL A 50 -5.865 0.265 -0.937 1.00 43.21 H new ATOM 0 HG12 VAL A 50 -4.610 -0.895 -0.443 1.00 43.21 H new ATOM 0 HG13 VAL A 50 -5.152 0.365 0.691 1.00 43.21 H new ATOM 0 HG21 VAL A 50 -5.286 2.609 -1.437 1.00 33.54 H new ATOM 0 HG22 VAL A 50 -4.540 2.838 0.162 1.00 33.54 H new ATOM 0 HG23 VAL A 50 -3.602 3.170 -1.313 1.00 33.54 H new ATOM 826 N GLY A 51 -1.823 2.683 1.402 1.00 44.41 N ATOM 827 CA GLY A 51 -1.786 3.438 2.639 1.00 41.15 C ATOM 828 C GLY A 51 -2.588 4.719 2.550 1.00 73.31 C ATOM 829 O GLY A 51 -2.369 5.521 1.640 1.00 11.15 O ATOM 0 H GLY A 51 -1.174 3.009 0.685 1.00 44.41 H new ATOM 0 HA2 GLY A 51 -2.176 2.823 3.450 1.00 41.15 H new ATOM 0 HA3 GLY A 51 -0.752 3.675 2.887 1.00 41.15 H new ATOM 833 N ASP A 52 -3.524 4.911 3.482 1.00 30.52 N ATOM 834 CA ASP A 52 -4.337 6.127 3.517 1.00 10.50 C ATOM 835 C ASP A 52 -3.866 7.046 4.640 1.00 73.22 C ATOM 836 O ASP A 52 -3.596 6.596 5.756 1.00 30.24 O ATOM 837 CB ASP A 52 -5.841 5.800 3.685 1.00 2.34 C ATOM 838 CG ASP A 52 -6.252 5.435 5.114 1.00 72.10 C ATOM 839 OD1 ASP A 52 -6.185 4.237 5.475 1.00 2.33 O ATOM 840 OD2 ASP A 52 -6.680 6.343 5.870 1.00 2.33 O ATOM 0 H ASP A 52 -3.737 4.241 4.221 1.00 30.52 H new ATOM 0 HA ASP A 52 -4.213 6.639 2.563 1.00 10.50 H new ATOM 0 HB2 ASP A 52 -6.426 6.660 3.360 1.00 2.34 H new ATOM 0 HB3 ASP A 52 -6.097 4.972 3.024 1.00 2.34 H new ATOM 845 N TRP A 53 -3.723 8.328 4.318 1.00 2.33 N ATOM 846 CA TRP A 53 -3.425 9.351 5.316 1.00 63.21 C ATOM 847 C TRP A 53 -4.717 10.043 5.748 1.00 55.44 C ATOM 848 O TRP A 53 -4.707 10.924 6.610 1.00 41.54 O ATOM 849 CB TRP A 53 -2.440 10.390 4.750 1.00 14.33 C ATOM 850 CG TRP A 53 -1.078 9.839 4.431 1.00 72.55 C ATOM 851 CD1 TRP A 53 -0.708 9.149 3.311 1.00 32.40 C ATOM 852 CD2 TRP A 53 0.101 9.951 5.237 1.00 14.51 C ATOM 853 NE1 TRP A 53 0.625 8.823 3.377 1.00 4.22 N ATOM 854 CE2 TRP A 53 1.143 9.306 4.548 1.00 0.10 C ATOM 855 CE3 TRP A 53 0.372 10.537 6.476 1.00 44.31 C ATOM 856 CZ2 TRP A 53 2.436 9.231 5.056 1.00 65.15 C ATOM 857 CZ3 TRP A 53 1.655 10.461 6.981 1.00 32.30 C ATOM 858 CH2 TRP A 53 2.675 9.813 6.272 1.00 11.25 C ATOM 0 H TRP A 53 -3.809 8.685 3.367 1.00 2.33 H new ATOM 0 HA TRP A 53 -2.964 8.871 6.180 1.00 63.21 H new ATOM 0 HB2 TRP A 53 -2.866 10.822 3.844 1.00 14.33 H new ATOM 0 HB3 TRP A 53 -2.332 11.201 5.470 1.00 14.33 H new ATOM 0 HD1 TRP A 53 -1.367 8.897 2.493 1.00 32.40 H new ATOM 0 HE1 TRP A 53 1.144 8.305 2.668 1.00 4.22 H new ATOM 0 HE3 TRP A 53 -0.408 11.040 7.029 1.00 44.31 H new ATOM 0 HZ2 TRP A 53 3.223 8.732 4.511 1.00 65.15 H new ATOM 0 HZ3 TRP A 53 1.876 10.909 7.939 1.00 32.30 H new ATOM 0 HH2 TRP A 53 3.669 9.772 6.693 1.00 11.25 H new ATOM 869 N GLY A 54 -5.830 9.617 5.151 1.00 33.04 N ATOM 870 CA GLY A 54 -7.115 10.255 5.387 1.00 11.54 C ATOM 871 C GLY A 54 -7.562 10.154 6.832 1.00 21.12 C ATOM 872 O GLY A 54 -8.163 11.086 7.374 1.00 74.31 O ATOM 0 H GLY A 54 -5.863 8.832 4.501 1.00 33.04 H new ATOM 0 HA2 GLY A 54 -7.052 11.305 5.103 1.00 11.54 H new ATOM 0 HA3 GLY A 54 -7.867 9.796 4.745 1.00 11.54 H new ATOM 876 N TYR A 55 -7.261 9.022 7.462 1.00 22.15 N ATOM 877 CA TYR A 55 -7.623 8.802 8.860 1.00 23.01 C ATOM 878 C TYR A 55 -6.799 9.710 9.779 1.00 52.13 C ATOM 879 O TYR A 55 -7.131 9.893 10.951 1.00 32.13 O ATOM 880 CB TYR A 55 -7.416 7.328 9.240 1.00 2.13 C ATOM 881 CG TYR A 55 -7.954 6.963 10.615 1.00 75.31 C ATOM 882 CD1 TYR A 55 -9.325 6.842 10.833 1.00 35.14 C ATOM 883 CD2 TYR A 55 -7.099 6.742 11.692 1.00 24.44 C ATOM 884 CE1 TYR A 55 -9.823 6.511 12.078 1.00 32.24 C ATOM 885 CE2 TYR A 55 -7.594 6.408 12.940 1.00 43.53 C ATOM 886 CZ TYR A 55 -8.957 6.294 13.127 1.00 21.31 C ATOM 887 OH TYR A 55 -9.456 5.962 14.368 1.00 22.13 O ATOM 0 H TYR A 55 -6.767 8.242 7.027 1.00 22.15 H new ATOM 0 HA TYR A 55 -8.677 9.050 8.986 1.00 23.01 H new ATOM 0 HB2 TYR A 55 -7.900 6.699 8.493 1.00 2.13 H new ATOM 0 HB3 TYR A 55 -6.351 7.101 9.206 1.00 2.13 H new ATOM 0 HD1 TYR A 55 -10.010 7.010 10.015 1.00 35.14 H new ATOM 0 HD2 TYR A 55 -6.032 6.833 11.551 1.00 24.44 H new ATOM 0 HE1 TYR A 55 -10.889 6.423 12.229 1.00 32.24 H new ATOM 0 HE2 TYR A 55 -6.917 6.237 13.764 1.00 43.53 H new ATOM 0 HH TYR A 55 -8.714 5.842 14.997 1.00 22.13 H new ATOM 897 N GLY A 56 -5.731 10.282 9.235 1.00 21.14 N ATOM 898 CA GLY A 56 -4.857 11.148 10.008 1.00 14.44 C ATOM 899 C GLY A 56 -3.500 10.515 10.229 1.00 52.31 C ATOM 900 O GLY A 56 -2.465 11.135 9.975 1.00 10.01 O ATOM 0 H GLY A 56 -5.452 10.160 8.262 1.00 21.14 H new ATOM 0 HA2 GLY A 56 -4.735 12.099 9.490 1.00 14.44 H new ATOM 0 HA3 GLY A 56 -5.319 11.366 10.971 1.00 14.44 H new ATOM 904 N GLN A 57 -3.507 9.279 10.719 1.00 72.41 N ATOM 905 CA GLN A 57 -2.286 8.495 10.875 1.00 61.11 C ATOM 906 C GLN A 57 -2.213 7.450 9.768 1.00 4.31 C ATOM 907 O GLN A 57 -3.193 6.742 9.518 1.00 5.02 O ATOM 908 CB GLN A 57 -2.244 7.816 12.254 1.00 3.43 C ATOM 909 CG GLN A 57 -2.138 8.794 13.422 1.00 11.55 C ATOM 910 CD GLN A 57 -0.891 9.665 13.353 1.00 61.45 C ATOM 911 OE1 GLN A 57 0.132 9.264 12.799 1.00 65.24 O ATOM 912 NE2 GLN A 57 -0.962 10.855 13.925 1.00 43.53 N ATOM 0 H GLN A 57 -4.354 8.795 11.018 1.00 72.41 H new ATOM 0 HA GLN A 57 -1.426 9.161 10.803 1.00 61.11 H new ATOM 0 HB2 GLN A 57 -3.143 7.213 12.379 1.00 3.43 H new ATOM 0 HB3 GLN A 57 -1.395 7.133 12.286 1.00 3.43 H new ATOM 0 HG2 GLN A 57 -3.021 9.433 13.436 1.00 11.55 H new ATOM 0 HG3 GLN A 57 -2.134 8.235 14.358 1.00 11.55 H new ATOM 0 HE21 GLN A 57 -1.827 11.154 14.375 1.00 43.53 H new ATOM 0 HE22 GLN A 57 -0.152 11.474 13.916 1.00 43.53 H new ATOM 921 N LEU A 58 -1.059 7.364 9.109 1.00 4.32 N ATOM 922 CA LEU A 58 -0.891 6.490 7.953 1.00 54.31 C ATOM 923 C LEU A 58 -1.229 5.037 8.282 1.00 30.24 C ATOM 924 O LEU A 58 -0.581 4.404 9.121 1.00 11.23 O ATOM 925 CB LEU A 58 0.539 6.573 7.406 1.00 74.12 C ATOM 926 CG LEU A 58 0.831 5.632 6.223 1.00 71.34 C ATOM 927 CD1 LEU A 58 -0.106 5.923 5.052 1.00 33.11 C ATOM 928 CD2 LEU A 58 2.288 5.738 5.787 1.00 12.33 C ATOM 0 H LEU A 58 -0.223 7.893 9.359 1.00 4.32 H new ATOM 0 HA LEU A 58 -1.589 6.839 7.191 1.00 54.31 H new ATOM 0 HB2 LEU A 58 0.735 7.599 7.094 1.00 74.12 H new ATOM 0 HB3 LEU A 58 1.236 6.347 8.213 1.00 74.12 H new ATOM 0 HG LEU A 58 0.652 4.610 6.556 1.00 71.34 H new ATOM 0 HD11 LEU A 58 0.120 5.246 4.228 1.00 33.11 H new ATOM 0 HD12 LEU A 58 -1.139 5.778 5.368 1.00 33.11 H new ATOM 0 HD13 LEU A 58 0.032 6.953 4.723 1.00 33.11 H new ATOM 0 HD21 LEU A 58 2.467 5.063 4.950 1.00 12.33 H new ATOM 0 HD22 LEU A 58 2.502 6.762 5.480 1.00 12.33 H new ATOM 0 HD23 LEU A 58 2.937 5.465 6.619 1.00 12.33 H new ATOM 940 N ARG A 59 -2.253 4.524 7.615 1.00 25.44 N ATOM 941 CA ARG A 59 -2.638 3.123 7.722 1.00 0.34 C ATOM 942 C ARG A 59 -2.390 2.422 6.394 1.00 35.13 C ATOM 943 O ARG A 59 -2.822 2.907 5.353 1.00 73.12 O ATOM 944 CB ARG A 59 -4.122 2.999 8.077 1.00 63.02 C ATOM 945 CG ARG A 59 -4.630 1.558 8.102 1.00 32.14 C ATOM 946 CD ARG A 59 -6.148 1.488 8.012 1.00 23.33 C ATOM 947 NE ARG A 59 -6.803 2.141 9.144 1.00 20.44 N ATOM 948 CZ ARG A 59 -7.377 3.343 9.089 1.00 64.21 C ATOM 949 NH1 ARG A 59 -7.278 4.092 7.990 1.00 34.12 N ATOM 950 NH2 ARG A 59 -8.018 3.815 10.150 1.00 65.41 N ATOM 0 H ARG A 59 -2.841 5.068 6.984 1.00 25.44 H new ATOM 0 HA ARG A 59 -2.041 2.661 8.508 1.00 0.34 H new ATOM 0 HB2 ARG A 59 -4.292 3.452 9.054 1.00 63.02 H new ATOM 0 HB3 ARG A 59 -4.708 3.569 7.356 1.00 63.02 H new ATOM 0 HG2 ARG A 59 -4.191 1.004 7.272 1.00 32.14 H new ATOM 0 HG3 ARG A 59 -4.298 1.072 9.020 1.00 32.14 H new ATOM 0 HD2 ARG A 59 -6.477 1.958 7.085 1.00 23.33 H new ATOM 0 HD3 ARG A 59 -6.459 0.444 7.968 1.00 23.33 H new ATOM 0 HE ARG A 59 -6.822 1.644 10.035 1.00 20.44 H new ATOM 0 HH11 ARG A 59 -6.760 3.746 7.182 1.00 34.12 H new ATOM 0 HH12 ARG A 59 -7.721 5.010 7.957 1.00 34.12 H new ATOM 0 HH21 ARG A 59 -8.070 3.259 11.003 1.00 65.41 H new ATOM 0 HH22 ARG A 59 -8.459 4.734 10.112 1.00 65.41 H new ATOM 964 N LEU A 60 -1.696 1.293 6.428 1.00 50.21 N ATOM 965 CA LEU A 60 -1.515 0.475 5.235 1.00 12.43 C ATOM 966 C LEU A 60 -2.588 -0.606 5.194 1.00 13.42 C ATOM 967 O LEU A 60 -2.562 -1.551 5.984 1.00 60.30 O ATOM 968 CB LEU A 60 -0.108 -0.152 5.192 1.00 54.30 C ATOM 969 CG LEU A 60 0.999 0.745 4.608 1.00 51.35 C ATOM 970 CD1 LEU A 60 1.089 2.074 5.350 1.00 54.11 C ATOM 971 CD2 LEU A 60 2.339 0.018 4.636 1.00 22.34 C ATOM 0 H LEU A 60 -1.249 0.922 7.267 1.00 50.21 H new ATOM 0 HA LEU A 60 -1.612 1.113 4.357 1.00 12.43 H new ATOM 0 HB2 LEU A 60 0.175 -0.436 6.205 1.00 54.30 H new ATOM 0 HB3 LEU A 60 -0.156 -1.069 4.605 1.00 54.30 H new ATOM 0 HG LEU A 60 0.742 0.965 3.572 1.00 51.35 H new ATOM 0 HD11 LEU A 60 1.880 2.682 4.912 1.00 54.11 H new ATOM 0 HD12 LEU A 60 0.139 2.601 5.268 1.00 54.11 H new ATOM 0 HD13 LEU A 60 1.313 1.890 6.401 1.00 54.11 H new ATOM 0 HD21 LEU A 60 3.112 0.664 4.220 1.00 22.34 H new ATOM 0 HD22 LEU A 60 2.593 -0.237 5.665 1.00 22.34 H new ATOM 0 HD23 LEU A 60 2.271 -0.894 4.043 1.00 22.34 H new ATOM 983 N LYS A 61 -3.538 -0.438 4.288 1.00 41.14 N ATOM 984 CA LYS A 61 -4.657 -1.361 4.143 1.00 52.32 C ATOM 985 C LYS A 61 -4.376 -2.322 2.990 1.00 60.23 C ATOM 986 O LYS A 61 -3.502 -2.060 2.158 1.00 75.40 O ATOM 987 CB LYS A 61 -5.953 -0.570 3.885 1.00 64.41 C ATOM 988 CG LYS A 61 -7.239 -1.391 4.019 1.00 21.22 C ATOM 989 CD LYS A 61 -7.471 -1.855 5.456 1.00 21.31 C ATOM 990 CE LYS A 61 -8.819 -2.549 5.616 1.00 55.33 C ATOM 991 NZ LYS A 61 -9.062 -2.982 7.018 1.00 44.12 N ATOM 0 H LYS A 61 -3.557 0.342 3.631 1.00 41.14 H new ATOM 0 HA LYS A 61 -4.780 -1.937 5.060 1.00 52.32 H new ATOM 0 HB2 LYS A 61 -5.997 0.267 4.582 1.00 64.41 H new ATOM 0 HB3 LYS A 61 -5.911 -0.147 2.882 1.00 64.41 H new ATOM 0 HG2 LYS A 61 -8.088 -0.792 3.689 1.00 21.22 H new ATOM 0 HG3 LYS A 61 -7.186 -2.259 3.361 1.00 21.22 H new ATOM 0 HD2 LYS A 61 -6.674 -2.537 5.751 1.00 21.31 H new ATOM 0 HD3 LYS A 61 -7.422 -0.998 6.127 1.00 21.31 H new ATOM 0 HE2 LYS A 61 -9.614 -1.872 5.303 1.00 55.33 H new ATOM 0 HE3 LYS A 61 -8.860 -3.416 4.957 1.00 55.33 H new ATOM 0 HZ1 LYS A 61 -9.989 -3.449 7.081 1.00 44.12 H new ATOM 0 HZ2 LYS A 61 -8.318 -3.648 7.309 1.00 44.12 H new ATOM 0 HZ3 LYS A 61 -9.049 -2.152 7.645 1.00 44.12 H new ATOM 1005 N GLY A 62 -5.109 -3.427 2.940 1.00 1.34 N ATOM 1006 CA GLY A 62 -4.911 -4.407 1.890 1.00 75.12 C ATOM 1007 C GLY A 62 -6.203 -4.767 1.187 1.00 20.43 C ATOM 1008 O GLY A 62 -7.261 -4.819 1.817 1.00 32.43 O ATOM 0 H GLY A 62 -5.840 -3.662 3.611 1.00 1.34 H new ATOM 0 HA2 GLY A 62 -4.200 -4.017 1.161 1.00 75.12 H new ATOM 0 HA3 GLY A 62 -4.469 -5.308 2.316 1.00 75.12 H new ATOM 1012 N PHE A 63 -6.116 -5.014 -0.116 1.00 53.12 N ATOM 1013 CA PHE A 63 -7.270 -5.408 -0.925 1.00 4.21 C ATOM 1014 C PHE A 63 -6.875 -6.521 -1.880 1.00 5.23 C ATOM 1015 O PHE A 63 -5.693 -6.795 -2.051 1.00 61.03 O ATOM 1016 CB PHE A 63 -7.817 -4.214 -1.725 1.00 43.34 C ATOM 1017 CG PHE A 63 -8.401 -3.128 -0.863 1.00 34.44 C ATOM 1018 CD1 PHE A 63 -9.732 -3.168 -0.483 1.00 32.51 C ATOM 1019 CD2 PHE A 63 -7.614 -2.076 -0.421 1.00 64.02 C ATOM 1020 CE1 PHE A 63 -10.267 -2.181 0.317 1.00 52.40 C ATOM 1021 CE2 PHE A 63 -8.146 -1.086 0.377 1.00 75.31 C ATOM 1022 CZ PHE A 63 -9.473 -1.140 0.749 1.00 70.33 C ATOM 0 H PHE A 63 -5.245 -4.947 -0.643 1.00 53.12 H new ATOM 0 HA PHE A 63 -8.052 -5.761 -0.252 1.00 4.21 H new ATOM 0 HB2 PHE A 63 -7.013 -3.794 -2.330 1.00 43.34 H new ATOM 0 HB3 PHE A 63 -8.582 -4.570 -2.415 1.00 43.34 H new ATOM 0 HD1 PHE A 63 -10.358 -3.982 -0.817 1.00 32.51 H new ATOM 0 HD2 PHE A 63 -6.573 -2.032 -0.705 1.00 64.02 H new ATOM 0 HE1 PHE A 63 -11.307 -2.223 0.605 1.00 52.40 H new ATOM 0 HE2 PHE A 63 -7.524 -0.269 0.711 1.00 75.31 H new ATOM 0 HZ PHE A 63 -9.890 -0.367 1.378 1.00 70.33 H new ATOM 1032 N PHE A 64 -7.865 -7.144 -2.506 1.00 5.13 N ATOM 1033 CA PHE A 64 -7.620 -8.217 -3.467 1.00 14.51 C ATOM 1034 C PHE A 64 -7.814 -7.689 -4.884 1.00 4.41 C ATOM 1035 O PHE A 64 -8.389 -6.612 -5.069 1.00 24.23 O ATOM 1036 CB PHE A 64 -8.580 -9.391 -3.224 1.00 50.52 C ATOM 1037 CG PHE A 64 -8.525 -9.953 -1.822 1.00 41.13 C ATOM 1038 CD1 PHE A 64 -7.541 -10.862 -1.462 1.00 14.24 C ATOM 1039 CD2 PHE A 64 -9.458 -9.567 -0.866 1.00 44.02 C ATOM 1040 CE1 PHE A 64 -7.490 -11.375 -0.180 1.00 64.24 C ATOM 1041 CE2 PHE A 64 -9.407 -10.077 0.416 1.00 32.52 C ATOM 1042 CZ PHE A 64 -8.422 -10.983 0.759 1.00 65.25 C ATOM 0 H PHE A 64 -8.851 -6.925 -2.366 1.00 5.13 H new ATOM 0 HA PHE A 64 -6.596 -8.569 -3.341 1.00 14.51 H new ATOM 0 HB2 PHE A 64 -9.598 -9.063 -3.433 1.00 50.52 H new ATOM 0 HB3 PHE A 64 -8.350 -10.187 -3.932 1.00 50.52 H new ATOM 0 HD1 PHE A 64 -6.807 -11.172 -2.191 1.00 14.24 H new ATOM 0 HD2 PHE A 64 -10.231 -8.860 -1.129 1.00 44.02 H new ATOM 0 HE1 PHE A 64 -6.720 -12.083 0.087 1.00 64.24 H new ATOM 0 HE2 PHE A 64 -10.136 -9.768 1.150 1.00 32.52 H new ATOM 0 HZ PHE A 64 -8.382 -11.384 1.761 1.00 65.25 H new ATOM 1052 N ASP A 65 -7.334 -8.437 -5.876 1.00 61.30 N ATOM 1053 CA ASP A 65 -7.541 -8.063 -7.275 1.00 43.11 C ATOM 1054 C ASP A 65 -9.036 -8.010 -7.600 1.00 53.34 C ATOM 1055 O ASP A 65 -9.724 -9.030 -7.632 1.00 14.05 O ATOM 1056 CB ASP A 65 -6.781 -8.997 -8.244 1.00 23.13 C ATOM 1057 CG ASP A 65 -6.858 -10.478 -7.889 1.00 31.31 C ATOM 1058 OD1 ASP A 65 -7.900 -11.113 -8.147 1.00 33.13 O ATOM 1059 OD2 ASP A 65 -5.848 -11.027 -7.390 1.00 12.23 O ATOM 0 H ASP A 65 -6.804 -9.298 -5.740 1.00 61.30 H new ATOM 0 HA ASP A 65 -7.126 -7.065 -7.417 1.00 43.11 H new ATOM 0 HB2 ASP A 65 -7.178 -8.857 -9.249 1.00 23.13 H new ATOM 0 HB3 ASP A 65 -5.733 -8.697 -8.270 1.00 23.13 H new ATOM 1064 N ASP A 66 -9.527 -6.791 -7.803 1.00 44.15 N ATOM 1065 CA ASP A 66 -10.940 -6.537 -8.075 1.00 20.34 C ATOM 1066 C ASP A 66 -11.135 -6.256 -9.566 1.00 14.12 C ATOM 1067 O ASP A 66 -10.155 -6.069 -10.292 1.00 23.14 O ATOM 1068 CB ASP A 66 -11.411 -5.348 -7.213 1.00 54.54 C ATOM 1069 CG ASP A 66 -12.894 -5.025 -7.347 1.00 73.14 C ATOM 1070 OD1 ASP A 66 -13.705 -5.958 -7.523 1.00 71.13 O ATOM 1071 OD2 ASP A 66 -13.257 -3.833 -7.248 1.00 63.33 O ATOM 0 H ASP A 66 -8.954 -5.947 -7.784 1.00 44.15 H new ATOM 0 HA ASP A 66 -11.538 -7.411 -7.818 1.00 20.34 H new ATOM 0 HB2 ASP A 66 -11.191 -5.563 -6.167 1.00 54.54 H new ATOM 0 HB3 ASP A 66 -10.833 -4.465 -7.486 1.00 54.54 H new ATOM 1205 N THR A 75 -3.818 -1.877 -13.669 1.00 11.05 N ATOM 1206 CA THR A 75 -4.100 -1.677 -12.247 1.00 12.51 C ATOM 1207 C THR A 75 -5.427 -0.933 -12.058 1.00 45.25 C ATOM 1208 O THR A 75 -5.496 0.275 -12.274 1.00 42.14 O ATOM 1209 CB THR A 75 -2.968 -0.869 -11.548 1.00 64.42 C ATOM 1210 OG1 THR A 75 -2.538 0.211 -12.395 1.00 32.32 O ATOM 1211 CG2 THR A 75 -1.775 -1.755 -11.192 1.00 31.45 C ATOM 0 HA THR A 75 -4.162 -2.666 -11.792 1.00 12.51 H new ATOM 0 HB THR A 75 -3.374 -0.468 -10.620 1.00 64.42 H new ATOM 0 HG1 THR A 75 -2.837 0.046 -13.313 1.00 32.32 H new ATOM 0 HG21 THR A 75 -1.007 -1.153 -10.706 1.00 31.45 H new ATOM 0 HG22 THR A 75 -2.098 -2.546 -10.515 1.00 31.45 H new ATOM 0 HG23 THR A 75 -1.367 -2.199 -12.100 1.00 31.45 H new ATOM 1219 N LYS A 76 -6.483 -1.662 -11.685 1.00 50.41 N ATOM 1220 CA LYS A 76 -7.785 -1.055 -11.377 1.00 32.20 C ATOM 1221 C LYS A 76 -8.481 -1.833 -10.265 1.00 34.43 C ATOM 1222 O LYS A 76 -8.516 -3.064 -10.286 1.00 34.25 O ATOM 1223 CB LYS A 76 -8.694 -0.998 -12.621 1.00 51.51 C ATOM 1224 CG LYS A 76 -8.272 0.042 -13.657 1.00 2.31 C ATOM 1225 CD LYS A 76 -8.283 1.456 -13.073 1.00 41.42 C ATOM 1226 CE LYS A 76 -7.869 2.500 -14.103 1.00 62.21 C ATOM 1227 NZ LYS A 76 -7.856 3.872 -13.530 1.00 50.03 N ATOM 0 H LYS A 76 -6.463 -2.677 -11.588 1.00 50.41 H new ATOM 0 HA LYS A 76 -7.601 -0.033 -11.046 1.00 32.20 H new ATOM 0 HB2 LYS A 76 -8.707 -1.980 -13.093 1.00 51.51 H new ATOM 0 HB3 LYS A 76 -9.714 -0.784 -12.302 1.00 51.51 H new ATOM 0 HG2 LYS A 76 -7.273 -0.193 -14.023 1.00 2.31 H new ATOM 0 HG3 LYS A 76 -8.944 -0.004 -14.514 1.00 2.31 H new ATOM 0 HD2 LYS A 76 -9.282 1.688 -12.702 1.00 41.42 H new ATOM 0 HD3 LYS A 76 -7.607 1.501 -12.219 1.00 41.42 H new ATOM 0 HE2 LYS A 76 -6.878 2.258 -14.487 1.00 62.21 H new ATOM 0 HE3 LYS A 76 -8.555 2.467 -14.949 1.00 62.21 H new ATOM 0 HZ1 LYS A 76 -7.569 4.552 -14.263 1.00 50.03 H new ATOM 0 HZ2 LYS A 76 -8.807 4.114 -13.187 1.00 50.03 H new ATOM 0 HZ3 LYS A 76 -7.182 3.911 -12.739 1.00 50.03 H new ATOM 1241 N ILE A 77 -9.013 -1.101 -9.290 1.00 41.13 N ATOM 1242 CA ILE A 77 -9.735 -1.686 -8.162 1.00 74.31 C ATOM 1243 C ILE A 77 -10.887 -0.756 -7.771 1.00 21.21 C ATOM 1244 O ILE A 77 -10.654 0.372 -7.329 1.00 4.33 O ATOM 1245 CB ILE A 77 -8.811 -1.897 -6.926 1.00 40.51 C ATOM 1246 CG1 ILE A 77 -7.602 -2.785 -7.275 1.00 21.13 C ATOM 1247 CG2 ILE A 77 -9.596 -2.511 -5.768 1.00 13.33 C ATOM 1248 CD1 ILE A 77 -6.647 -3.003 -6.119 1.00 4.12 C ATOM 0 H ILE A 77 -8.956 -0.083 -9.259 1.00 41.13 H new ATOM 0 HA ILE A 77 -10.110 -2.662 -8.472 1.00 74.31 H new ATOM 0 HB ILE A 77 -8.437 -0.919 -6.622 1.00 40.51 H new ATOM 0 HG12 ILE A 77 -7.963 -3.753 -7.623 1.00 21.13 H new ATOM 0 HG13 ILE A 77 -7.057 -2.331 -8.103 1.00 21.13 H new ATOM 0 HG21 ILE A 77 -8.934 -2.651 -4.913 1.00 13.33 H new ATOM 0 HG22 ILE A 77 -10.413 -1.846 -5.489 1.00 13.33 H new ATOM 0 HG23 ILE A 77 -10.002 -3.475 -6.074 1.00 13.33 H new ATOM 0 HD11 ILE A 77 -5.822 -3.638 -6.443 1.00 4.12 H new ATOM 0 HD12 ILE A 77 -6.256 -2.042 -5.784 1.00 4.12 H new ATOM 0 HD13 ILE A 77 -7.175 -3.486 -5.297 1.00 4.12 H new ATOM 1260 N SER A 78 -12.123 -1.218 -7.942 1.00 41.13 N ATOM 1261 CA SER A 78 -13.296 -0.393 -7.667 1.00 5.41 C ATOM 1262 C SER A 78 -13.493 -0.201 -6.162 1.00 23.04 C ATOM 1263 O SER A 78 -13.722 0.916 -5.692 1.00 64.30 O ATOM 1264 CB SER A 78 -14.537 -1.030 -8.294 1.00 42.01 C ATOM 1265 OG SER A 78 -14.336 -1.265 -9.677 1.00 73.02 O ATOM 0 H SER A 78 -12.338 -2.160 -8.270 1.00 41.13 H new ATOM 0 HA SER A 78 -13.139 0.591 -8.110 1.00 5.41 H new ATOM 0 HB2 SER A 78 -14.764 -1.969 -7.790 1.00 42.01 H new ATOM 0 HB3 SER A 78 -15.398 -0.377 -8.153 1.00 42.01 H new ATOM 0 HG SER A 78 -15.140 -1.674 -10.060 1.00 73.02 H new ATOM 1271 N THR A 79 -13.376 -1.293 -5.406 1.00 12.44 N ATOM 1272 CA THR A 79 -13.562 -1.245 -3.955 1.00 73.33 C ATOM 1273 C THR A 79 -12.523 -0.323 -3.301 1.00 75.24 C ATOM 1274 O THR A 79 -12.711 0.149 -2.178 1.00 11.14 O ATOM 1275 CB THR A 79 -13.507 -2.664 -3.327 1.00 0.34 C ATOM 1276 OG1 THR A 79 -13.854 -2.612 -1.935 1.00 45.22 O ATOM 1277 CG2 THR A 79 -12.127 -3.294 -3.482 1.00 15.35 C ATOM 0 H THR A 79 -13.154 -2.219 -5.772 1.00 12.44 H new ATOM 0 HA THR A 79 -14.554 -0.836 -3.765 1.00 73.33 H new ATOM 0 HB THR A 79 -14.229 -3.282 -3.860 1.00 0.34 H new ATOM 0 HG1 THR A 79 -13.816 -3.514 -1.554 1.00 45.22 H new ATOM 0 HG21 THR A 79 -12.127 -4.286 -3.031 1.00 15.35 H new ATOM 0 HG22 THR A 79 -11.882 -3.377 -4.541 1.00 15.35 H new ATOM 0 HG23 THR A 79 -11.384 -2.670 -2.986 1.00 15.35 H new ATOM 1285 N LEU A 80 -11.436 -0.049 -4.024 1.00 3.33 N ATOM 1286 CA LEU A 80 -10.418 0.889 -3.554 1.00 3.02 C ATOM 1287 C LEU A 80 -11.019 2.285 -3.440 1.00 74.35 C ATOM 1288 O LEU A 80 -10.871 2.957 -2.420 1.00 4.54 O ATOM 1289 CB LEU A 80 -9.214 0.908 -4.513 1.00 71.43 C ATOM 1290 CG LEU A 80 -8.143 1.978 -4.223 1.00 44.43 C ATOM 1291 CD1 LEU A 80 -7.549 1.800 -2.831 1.00 24.44 C ATOM 1292 CD2 LEU A 80 -7.050 1.940 -5.289 1.00 24.34 C ATOM 0 H LEU A 80 -11.239 -0.463 -4.935 1.00 3.33 H new ATOM 0 HA LEU A 80 -10.070 0.566 -2.573 1.00 3.02 H new ATOM 0 HB2 LEU A 80 -8.738 -0.072 -4.488 1.00 71.43 H new ATOM 0 HB3 LEU A 80 -9.584 1.057 -5.528 1.00 71.43 H new ATOM 0 HG LEU A 80 -8.623 2.956 -4.255 1.00 44.43 H new ATOM 0 HD11 LEU A 80 -6.797 2.569 -2.655 1.00 24.44 H new ATOM 0 HD12 LEU A 80 -8.339 1.887 -2.085 1.00 24.44 H new ATOM 0 HD13 LEU A 80 -7.086 0.816 -2.756 1.00 24.44 H new ATOM 0 HD21 LEU A 80 -6.301 2.701 -5.070 1.00 24.34 H new ATOM 0 HD22 LEU A 80 -6.578 0.957 -5.291 1.00 24.34 H new ATOM 0 HD23 LEU A 80 -7.489 2.134 -6.268 1.00 24.34 H new ATOM 1304 N ASP A 81 -11.726 2.695 -4.490 1.00 51.44 N ATOM 1305 CA ASP A 81 -12.367 4.009 -4.537 1.00 51.23 C ATOM 1306 C ASP A 81 -13.400 4.129 -3.418 1.00 60.21 C ATOM 1307 O ASP A 81 -13.500 5.164 -2.755 1.00 1.11 O ATOM 1308 CB ASP A 81 -13.032 4.223 -5.904 1.00 41.23 C ATOM 1309 CG ASP A 81 -13.721 5.574 -6.026 1.00 12.21 C ATOM 1310 OD1 ASP A 81 -13.042 6.568 -6.358 1.00 10.21 O ATOM 1311 OD2 ASP A 81 -14.951 5.646 -5.805 1.00 60.42 O ATOM 0 H ASP A 81 -11.871 2.131 -5.328 1.00 51.44 H new ATOM 0 HA ASP A 81 -11.608 4.778 -4.395 1.00 51.23 H new ATOM 0 HB2 ASP A 81 -12.278 4.134 -6.686 1.00 41.23 H new ATOM 0 HB3 ASP A 81 -13.763 3.432 -6.074 1.00 41.23 H new ATOM 1316 N GLU A 82 -14.147 3.045 -3.203 1.00 40.42 N ATOM 1317 CA GLU A 82 -15.145 2.982 -2.136 1.00 65.40 C ATOM 1318 C GLU A 82 -14.492 3.213 -0.769 1.00 34.01 C ATOM 1319 O GLU A 82 -15.064 3.873 0.099 1.00 20.14 O ATOM 1320 CB GLU A 82 -15.852 1.616 -2.156 1.00 73.12 C ATOM 1321 CG GLU A 82 -16.616 1.334 -3.448 1.00 53.51 C ATOM 1322 CD GLU A 82 -17.847 2.212 -3.611 1.00 70.41 C ATOM 1323 OE1 GLU A 82 -17.707 3.381 -4.034 1.00 43.22 O ATOM 1324 OE2 GLU A 82 -18.964 1.743 -3.313 1.00 11.11 O ATOM 0 H GLU A 82 -14.078 2.193 -3.759 1.00 40.42 H new ATOM 0 HA GLU A 82 -15.880 3.769 -2.305 1.00 65.40 H new ATOM 0 HB2 GLU A 82 -15.110 0.832 -2.005 1.00 73.12 H new ATOM 0 HB3 GLU A 82 -16.545 1.564 -1.317 1.00 73.12 H new ATOM 0 HG2 GLU A 82 -15.951 1.487 -4.298 1.00 53.51 H new ATOM 0 HG3 GLU A 82 -16.918 0.287 -3.464 1.00 53.51 H new ATOM 1331 N TYR A 83 -13.290 2.668 -0.604 1.00 15.22 N ATOM 1332 CA TYR A 83 -12.536 2.794 0.644 1.00 72.14 C ATOM 1333 C TYR A 83 -12.010 4.217 0.813 1.00 63.31 C ATOM 1334 O TYR A 83 -12.165 4.829 1.873 1.00 53.31 O ATOM 1335 CB TYR A 83 -11.370 1.797 0.648 1.00 64.41 C ATOM 1336 CG TYR A 83 -10.495 1.856 1.891 1.00 55.43 C ATOM 1337 CD1 TYR A 83 -10.884 1.220 3.066 1.00 35.45 C ATOM 1338 CD2 TYR A 83 -9.277 2.534 1.885 1.00 2.42 C ATOM 1339 CE1 TYR A 83 -10.090 1.260 4.194 1.00 74.43 C ATOM 1340 CE2 TYR A 83 -8.480 2.579 3.012 1.00 70.43 C ATOM 1341 CZ TYR A 83 -8.891 1.942 4.163 1.00 53.54 C ATOM 1342 OH TYR A 83 -8.096 1.979 5.289 1.00 34.54 O ATOM 0 H TYR A 83 -12.812 2.129 -1.326 1.00 15.22 H new ATOM 0 HA TYR A 83 -13.201 2.573 1.479 1.00 72.14 H new ATOM 0 HB2 TYR A 83 -11.771 0.788 0.548 1.00 64.41 H new ATOM 0 HB3 TYR A 83 -10.748 1.981 -0.228 1.00 64.41 H new ATOM 0 HD1 TYR A 83 -11.823 0.686 3.096 1.00 35.45 H new ATOM 0 HD2 TYR A 83 -8.951 3.032 0.984 1.00 2.42 H new ATOM 0 HE1 TYR A 83 -10.406 0.759 5.097 1.00 74.43 H new ATOM 0 HE2 TYR A 83 -7.540 3.110 2.991 1.00 70.43 H new ATOM 0 HH TYR A 83 -7.517 2.769 5.255 1.00 34.54 H new ATOM 1352 N ILE A 84 -11.388 4.733 -0.243 1.00 22.51 N ATOM 1353 CA ILE A 84 -10.814 6.075 -0.224 1.00 23.25 C ATOM 1354 C ILE A 84 -11.890 7.106 0.106 1.00 1.25 C ATOM 1355 O ILE A 84 -11.672 8.007 0.910 1.00 14.30 O ATOM 1356 CB ILE A 84 -10.151 6.426 -1.585 1.00 51.14 C ATOM 1357 CG1 ILE A 84 -8.998 5.451 -1.894 1.00 44.44 C ATOM 1358 CG2 ILE A 84 -9.652 7.873 -1.598 1.00 72.02 C ATOM 1359 CD1 ILE A 84 -7.892 5.454 -0.857 1.00 40.31 C ATOM 0 H ILE A 84 -11.268 4.239 -1.127 1.00 22.51 H new ATOM 0 HA ILE A 84 -10.044 6.096 0.547 1.00 23.25 H new ATOM 0 HB ILE A 84 -10.907 6.325 -2.364 1.00 51.14 H new ATOM 0 HG12 ILE A 84 -9.402 4.442 -1.976 1.00 44.44 H new ATOM 0 HG13 ILE A 84 -8.572 5.704 -2.865 1.00 44.44 H new ATOM 0 HG21 ILE A 84 -9.193 8.091 -2.562 1.00 72.02 H new ATOM 0 HG22 ILE A 84 -10.491 8.549 -1.435 1.00 72.02 H new ATOM 0 HG23 ILE A 84 -8.916 8.011 -0.806 1.00 72.02 H new ATOM 0 HD11 ILE A 84 -7.119 4.742 -1.147 1.00 40.31 H new ATOM 0 HD12 ILE A 84 -7.459 6.452 -0.790 1.00 40.31 H new ATOM 0 HD13 ILE A 84 -8.301 5.170 0.112 1.00 40.31 H new ATOM 1371 N TYR A 85 -13.065 6.927 -0.488 1.00 54.44 N ATOM 1372 CA TYR A 85 -14.194 7.840 -0.304 1.00 44.42 C ATOM 1373 C TYR A 85 -14.563 7.992 1.177 1.00 54.22 C ATOM 1374 O TYR A 85 -15.128 9.010 1.589 1.00 70.34 O ATOM 1375 CB TYR A 85 -15.399 7.320 -1.098 1.00 23.01 C ATOM 1376 CG TYR A 85 -16.596 8.253 -1.116 1.00 71.53 C ATOM 1377 CD1 TYR A 85 -16.663 9.302 -2.026 1.00 4.24 C ATOM 1378 CD2 TYR A 85 -17.663 8.082 -0.234 1.00 55.41 C ATOM 1379 CE1 TYR A 85 -17.750 10.151 -2.056 1.00 24.22 C ATOM 1380 CE2 TYR A 85 -18.754 8.929 -0.262 1.00 42.42 C ATOM 1381 CZ TYR A 85 -18.792 9.961 -1.173 1.00 44.12 C ATOM 1382 OH TYR A 85 -19.881 10.803 -1.213 1.00 53.34 O ATOM 0 H TYR A 85 -13.264 6.145 -1.112 1.00 54.44 H new ATOM 0 HA TYR A 85 -13.904 8.824 -0.671 1.00 44.42 H new ATOM 0 HB2 TYR A 85 -15.086 7.132 -2.125 1.00 23.01 H new ATOM 0 HB3 TYR A 85 -15.708 6.363 -0.678 1.00 23.01 H new ATOM 0 HD1 TYR A 85 -15.851 9.455 -2.721 1.00 4.24 H new ATOM 0 HD2 TYR A 85 -17.636 7.274 0.482 1.00 55.41 H new ATOM 0 HE1 TYR A 85 -17.785 10.962 -2.769 1.00 24.22 H new ATOM 0 HE2 TYR A 85 -19.573 8.783 0.427 1.00 42.42 H new ATOM 0 HH TYR A 85 -20.528 10.534 -0.527 1.00 53.34 H new ATOM 1392 N GLU A 86 -14.250 6.971 1.972 1.00 4.03 N ATOM 1393 CA GLU A 86 -14.583 6.967 3.395 1.00 14.43 C ATOM 1394 C GLU A 86 -13.556 7.753 4.214 1.00 20.25 C ATOM 1395 O GLU A 86 -13.903 8.702 4.922 1.00 11.11 O ATOM 1396 CB GLU A 86 -14.679 5.522 3.909 1.00 41.11 C ATOM 1397 CG GLU A 86 -15.759 4.697 3.215 1.00 51.11 C ATOM 1398 CD GLU A 86 -17.153 5.284 3.393 1.00 65.31 C ATOM 1399 OE1 GLU A 86 -17.774 5.037 4.448 1.00 73.13 O ATOM 1400 OE2 GLU A 86 -17.631 5.997 2.486 1.00 45.30 O ATOM 0 H GLU A 86 -13.764 6.133 1.653 1.00 4.03 H new ATOM 0 HA GLU A 86 -15.549 7.457 3.515 1.00 14.43 H new ATOM 0 HB2 GLU A 86 -13.715 5.032 3.772 1.00 41.11 H new ATOM 0 HB3 GLU A 86 -14.879 5.539 4.980 1.00 41.11 H new ATOM 0 HG2 GLU A 86 -15.531 4.629 2.151 1.00 51.11 H new ATOM 0 HG3 GLU A 86 -15.744 3.681 3.610 1.00 51.11 H new ATOM 1407 N TYR A 87 -12.291 7.361 4.104 1.00 13.24 N ATOM 1408 CA TYR A 87 -11.229 7.928 4.938 1.00 13.35 C ATOM 1409 C TYR A 87 -10.629 9.179 4.302 1.00 43.04 C ATOM 1410 O TYR A 87 -10.377 10.175 4.981 1.00 23.22 O ATOM 1411 CB TYR A 87 -10.126 6.888 5.175 1.00 61.00 C ATOM 1412 CG TYR A 87 -10.615 5.624 5.856 1.00 41.42 C ATOM 1413 CD1 TYR A 87 -11.394 4.703 5.167 1.00 75.55 C ATOM 1414 CD2 TYR A 87 -10.303 5.354 7.184 1.00 35.11 C ATOM 1415 CE1 TYR A 87 -11.845 3.552 5.777 1.00 64.12 C ATOM 1416 CE2 TYR A 87 -10.749 4.200 7.799 1.00 11.51 C ATOM 1417 CZ TYR A 87 -11.521 3.306 7.092 1.00 3.53 C ATOM 1418 OH TYR A 87 -11.963 2.151 7.697 1.00 71.50 O ATOM 0 H TYR A 87 -11.972 6.651 3.445 1.00 13.24 H new ATOM 0 HA TYR A 87 -11.673 8.210 5.893 1.00 13.35 H new ATOM 0 HB2 TYR A 87 -9.677 6.624 4.218 1.00 61.00 H new ATOM 0 HB3 TYR A 87 -9.340 7.337 5.783 1.00 61.00 H new ATOM 0 HD1 TYR A 87 -11.651 4.892 4.135 1.00 75.55 H new ATOM 0 HD2 TYR A 87 -9.703 6.057 7.743 1.00 35.11 H new ATOM 0 HE1 TYR A 87 -12.450 2.847 5.226 1.00 64.12 H new ATOM 0 HE2 TYR A 87 -10.493 4.000 8.829 1.00 11.51 H new ATOM 0 HH TYR A 87 -11.648 2.127 8.625 1.00 71.50 H new ATOM 1428 N CYS A 88 -10.409 9.121 2.999 1.00 54.20 N ATOM 1429 CA CYS A 88 -9.739 10.193 2.277 1.00 44.25 C ATOM 1430 C CYS A 88 -10.707 10.871 1.311 1.00 55.11 C ATOM 1431 O CYS A 88 -10.796 10.505 0.137 1.00 40.21 O ATOM 1432 CB CYS A 88 -8.529 9.630 1.523 1.00 71.44 C ATOM 1433 SG CYS A 88 -7.540 10.881 0.644 1.00 2.41 S ATOM 0 H CYS A 88 -10.688 8.334 2.413 1.00 54.20 H new ATOM 0 HA CYS A 88 -9.393 10.941 2.990 1.00 44.25 H new ATOM 0 HB2 CYS A 88 -7.886 9.108 2.232 1.00 71.44 H new ATOM 0 HB3 CYS A 88 -8.877 8.889 0.804 1.00 71.44 H new ATOM 1438 N ASN A 89 -11.458 11.841 1.824 1.00 54.11 N ATOM 1439 CA ASN A 89 -12.446 12.557 1.020 1.00 1.44 C ATOM 1440 C ASN A 89 -11.761 13.441 -0.019 1.00 22.22 C ATOM 1441 O ASN A 89 -10.641 13.912 0.200 1.00 54.43 O ATOM 1442 CB ASN A 89 -13.365 13.402 1.915 1.00 62.35 C ATOM 1443 CG ASN A 89 -14.288 12.550 2.773 1.00 64.22 C ATOM 1444 OD1 ASN A 89 -15.392 12.197 2.355 1.00 24.35 O ATOM 1445 ND2 ASN A 89 -13.852 12.221 3.980 1.00 74.22 N ATOM 0 H ASN A 89 -11.402 12.150 2.794 1.00 54.11 H new ATOM 0 HA ASN A 89 -13.054 11.819 0.498 1.00 1.44 H new ATOM 0 HB2 ASN A 89 -12.756 14.035 2.560 1.00 62.35 H new ATOM 0 HB3 ASN A 89 -13.964 14.065 1.291 1.00 62.35 H new ATOM 0 HD21 ASN A 89 -14.436 11.657 4.597 1.00 74.22 H new ATOM 0 HD22 ASN A 89 -12.932 12.532 4.292 1.00 74.22 H new ATOM 1452 N PHE A 90 -12.449 13.653 -1.145 1.00 53.13 N ATOM 1453 CA PHE A 90 -11.928 14.441 -2.263 1.00 24.42 C ATOM 1454 C PHE A 90 -10.738 13.733 -2.919 1.00 60.22 C ATOM 1455 O PHE A 90 -10.862 13.173 -4.011 1.00 1.45 O ATOM 1456 CB PHE A 90 -11.537 15.862 -1.810 1.00 31.23 C ATOM 1457 CG PHE A 90 -11.004 16.738 -2.921 1.00 63.42 C ATOM 1458 CD1 PHE A 90 -11.871 17.417 -3.764 1.00 0.24 C ATOM 1459 CD2 PHE A 90 -9.636 16.876 -3.127 1.00 74.50 C ATOM 1460 CE1 PHE A 90 -11.388 18.213 -4.786 1.00 32.02 C ATOM 1461 CE2 PHE A 90 -9.150 17.671 -4.147 1.00 70.54 C ATOM 1462 CZ PHE A 90 -10.026 18.340 -4.977 1.00 70.35 C ATOM 0 H PHE A 90 -13.385 13.281 -1.306 1.00 53.13 H new ATOM 0 HA PHE A 90 -12.722 14.534 -3.004 1.00 24.42 H new ATOM 0 HB2 PHE A 90 -12.409 16.344 -1.368 1.00 31.23 H new ATOM 0 HB3 PHE A 90 -10.783 15.788 -1.027 1.00 31.23 H new ATOM 0 HD1 PHE A 90 -12.937 17.323 -3.620 1.00 0.24 H new ATOM 0 HD2 PHE A 90 -8.944 16.355 -2.481 1.00 74.50 H new ATOM 0 HE1 PHE A 90 -12.075 18.735 -5.435 1.00 32.02 H new ATOM 0 HE2 PHE A 90 -8.085 17.769 -4.295 1.00 70.54 H new ATOM 0 HZ PHE A 90 -9.647 18.962 -5.775 1.00 70.35 H new ATOM 1472 N GLY A 91 -9.600 13.749 -2.237 1.00 20.05 N ATOM 1473 CA GLY A 91 -8.390 13.151 -2.764 1.00 24.24 C ATOM 1474 C GLY A 91 -7.162 13.651 -2.037 1.00 64.10 C ATOM 1475 O GLY A 91 -6.432 14.504 -2.544 1.00 45.33 O ATOM 0 H GLY A 91 -9.494 14.172 -1.315 1.00 20.05 H new ATOM 0 HA2 GLY A 91 -8.450 12.066 -2.675 1.00 24.24 H new ATOM 0 HA3 GLY A 91 -8.303 13.379 -3.826 1.00 24.24 H new ATOM 1479 N CYS A 92 -6.955 13.145 -0.831 1.00 30.15 N ATOM 1480 CA CYS A 92 -5.799 13.516 -0.025 1.00 73.14 C ATOM 1481 C CYS A 92 -4.618 12.587 -0.331 1.00 63.22 C ATOM 1482 O CYS A 92 -4.559 11.980 -1.403 1.00 74.12 O ATOM 1483 CB CYS A 92 -6.165 13.470 1.466 1.00 14.23 C ATOM 1484 SG CYS A 92 -6.507 11.802 2.125 1.00 12.44 S ATOM 0 H CYS A 92 -7.577 12.471 -0.385 1.00 30.15 H new ATOM 0 HA CYS A 92 -5.500 14.534 -0.274 1.00 73.14 H new ATOM 0 HB2 CYS A 92 -5.349 13.910 2.039 1.00 14.23 H new ATOM 0 HB3 CYS A 92 -7.043 14.096 1.629 1.00 14.23 H new ATOM 1489 N ALA A 93 -3.672 12.488 0.598 1.00 52.33 N ATOM 1490 CA ALA A 93 -2.479 11.673 0.400 1.00 0.31 C ATOM 1491 C ALA A 93 -2.780 10.182 0.573 1.00 4.54 C ATOM 1492 O ALA A 93 -3.363 9.765 1.581 1.00 72.31 O ATOM 1493 CB ALA A 93 -1.380 12.115 1.359 1.00 61.11 C ATOM 0 H ALA A 93 -3.709 12.965 1.499 1.00 52.33 H new ATOM 0 HA ALA A 93 -2.136 11.819 -0.624 1.00 0.31 H new ATOM 0 HB1 ALA A 93 -0.493 11.501 1.204 1.00 61.11 H new ATOM 0 HB2 ALA A 93 -1.134 13.161 1.174 1.00 61.11 H new ATOM 0 HB3 ALA A 93 -1.726 12.000 2.386 1.00 61.11 H new ATOM 1499 N TYR A 94 -2.396 9.395 -0.428 1.00 65.24 N ATOM 1500 CA TYR A 94 -2.494 7.938 -0.372 1.00 32.41 C ATOM 1501 C TYR A 94 -1.652 7.324 -1.490 1.00 61.23 C ATOM 1502 O TYR A 94 -1.392 7.969 -2.512 1.00 13.12 O ATOM 1503 CB TYR A 94 -3.960 7.467 -0.461 1.00 61.23 C ATOM 1504 CG TYR A 94 -4.686 7.882 -1.727 1.00 52.10 C ATOM 1505 CD1 TYR A 94 -5.347 9.103 -1.801 1.00 50.31 C ATOM 1506 CD2 TYR A 94 -4.722 7.049 -2.840 1.00 4.33 C ATOM 1507 CE1 TYR A 94 -6.017 9.484 -2.946 1.00 42.42 C ATOM 1508 CE2 TYR A 94 -5.390 7.422 -3.989 1.00 61.23 C ATOM 1509 CZ TYR A 94 -6.036 8.640 -4.037 1.00 24.13 C ATOM 1510 OH TYR A 94 -6.699 9.021 -5.184 1.00 60.10 O ATOM 0 H TYR A 94 -2.008 9.749 -1.302 1.00 65.24 H new ATOM 0 HA TYR A 94 -2.108 7.601 0.590 1.00 32.41 H new ATOM 0 HB2 TYR A 94 -3.983 6.380 -0.386 1.00 61.23 H new ATOM 0 HB3 TYR A 94 -4.505 7.858 0.398 1.00 61.23 H new ATOM 0 HD1 TYR A 94 -5.336 9.765 -0.948 1.00 50.31 H new ATOM 0 HD2 TYR A 94 -4.219 6.094 -2.805 1.00 4.33 H new ATOM 0 HE1 TYR A 94 -6.523 10.437 -2.988 1.00 42.42 H new ATOM 0 HE2 TYR A 94 -5.407 6.764 -4.845 1.00 61.23 H new ATOM 0 HH TYR A 94 -6.616 8.316 -5.859 1.00 60.10 H new ATOM 1520 N PHE A 95 -1.217 6.084 -1.292 1.00 53.11 N ATOM 1521 CA PHE A 95 -0.351 5.401 -2.256 1.00 44.03 C ATOM 1522 C PHE A 95 -0.718 3.925 -2.353 1.00 61.11 C ATOM 1523 O PHE A 95 -1.216 3.347 -1.388 1.00 22.23 O ATOM 1524 CB PHE A 95 1.122 5.551 -1.849 1.00 51.45 C ATOM 1525 CG PHE A 95 1.441 4.991 -0.479 1.00 14.21 C ATOM 1526 CD1 PHE A 95 1.224 5.748 0.665 1.00 10.42 C ATOM 1527 CD2 PHE A 95 1.958 3.709 -0.336 1.00 2.41 C ATOM 1528 CE1 PHE A 95 1.513 5.241 1.917 1.00 41.50 C ATOM 1529 CE2 PHE A 95 2.249 3.199 0.916 1.00 63.54 C ATOM 1530 CZ PHE A 95 2.025 3.965 2.043 1.00 31.23 C ATOM 0 H PHE A 95 -1.449 5.527 -0.470 1.00 53.11 H new ATOM 0 HA PHE A 95 -0.496 5.861 -3.233 1.00 44.03 H new ATOM 0 HB2 PHE A 95 1.746 5.050 -2.589 1.00 51.45 H new ATOM 0 HB3 PHE A 95 1.388 6.608 -1.870 1.00 51.45 H new ATOM 0 HD1 PHE A 95 0.824 6.747 0.574 1.00 10.42 H new ATOM 0 HD2 PHE A 95 2.135 3.104 -1.213 1.00 2.41 H new ATOM 0 HE1 PHE A 95 1.339 5.842 2.797 1.00 41.50 H new ATOM 0 HE2 PHE A 95 2.652 2.201 1.012 1.00 63.54 H new ATOM 0 HZ PHE A 95 2.250 3.567 3.021 1.00 31.23 H new ATOM 1540 N VAL A 96 -0.461 3.327 -3.517 1.00 11.13 N ATOM 1541 CA VAL A 96 -0.784 1.923 -3.760 1.00 53.51 C ATOM 1542 C VAL A 96 0.427 1.173 -4.323 1.00 1.52 C ATOM 1543 O VAL A 96 0.981 1.551 -5.364 1.00 71.02 O ATOM 1544 CB VAL A 96 -1.970 1.770 -4.751 1.00 73.24 C ATOM 1545 CG1 VAL A 96 -2.346 0.298 -4.927 1.00 51.33 C ATOM 1546 CG2 VAL A 96 -3.180 2.586 -4.295 1.00 44.52 C ATOM 0 H VAL A 96 -0.027 3.798 -4.311 1.00 11.13 H new ATOM 0 HA VAL A 96 -1.068 1.496 -2.798 1.00 53.51 H new ATOM 0 HB VAL A 96 -1.648 2.159 -5.717 1.00 73.24 H new ATOM 0 HG11 VAL A 96 -3.179 0.216 -5.625 1.00 51.33 H new ATOM 0 HG12 VAL A 96 -1.490 -0.252 -5.317 1.00 51.33 H new ATOM 0 HG13 VAL A 96 -2.638 -0.121 -3.964 1.00 51.33 H new ATOM 0 HG21 VAL A 96 -3.994 2.459 -5.008 1.00 44.52 H new ATOM 0 HG22 VAL A 96 -3.502 2.242 -3.312 1.00 44.52 H new ATOM 0 HG23 VAL A 96 -2.908 3.640 -4.239 1.00 44.52 H new ATOM 1556 N LEU A 97 0.839 0.128 -3.615 1.00 15.33 N ATOM 1557 CA LEU A 97 1.852 -0.812 -4.092 1.00 54.02 C ATOM 1558 C LEU A 97 1.193 -2.166 -4.350 1.00 54.11 C ATOM 1559 O LEU A 97 0.236 -2.534 -3.665 1.00 11.24 O ATOM 1560 CB LEU A 97 2.984 -0.984 -3.058 1.00 42.52 C ATOM 1561 CG LEU A 97 4.092 0.087 -3.065 1.00 34.30 C ATOM 1562 CD1 LEU A 97 3.549 1.468 -2.723 1.00 24.23 C ATOM 1563 CD2 LEU A 97 5.205 -0.297 -2.095 1.00 43.12 C ATOM 0 H LEU A 97 0.478 -0.094 -2.687 1.00 15.33 H new ATOM 0 HA LEU A 97 2.286 -0.418 -5.011 1.00 54.02 H new ATOM 0 HB2 LEU A 97 2.537 -1.006 -2.064 1.00 42.52 H new ATOM 0 HB3 LEU A 97 3.449 -1.956 -3.220 1.00 42.52 H new ATOM 0 HG LEU A 97 4.496 0.134 -4.076 1.00 34.30 H new ATOM 0 HD11 LEU A 97 4.363 2.193 -2.739 1.00 24.23 H new ATOM 0 HD12 LEU A 97 2.794 1.754 -3.455 1.00 24.23 H new ATOM 0 HD13 LEU A 97 3.101 1.447 -1.729 1.00 24.23 H new ATOM 0 HD21 LEU A 97 5.981 0.468 -2.110 1.00 43.12 H new ATOM 0 HD22 LEU A 97 4.797 -0.380 -1.088 1.00 43.12 H new ATOM 0 HD23 LEU A 97 5.633 -1.254 -2.393 1.00 43.12 H new ATOM 1575 N LYS A 98 1.695 -2.900 -5.332 1.00 53.42 N ATOM 1576 CA LYS A 98 1.186 -4.237 -5.630 1.00 3.32 C ATOM 1577 C LYS A 98 2.248 -5.285 -5.320 1.00 33.21 C ATOM 1578 O LYS A 98 3.414 -5.115 -5.679 1.00 54.31 O ATOM 1579 CB LYS A 98 0.759 -4.337 -7.104 1.00 64.01 C ATOM 1580 CG LYS A 98 0.313 -5.738 -7.528 1.00 62.43 C ATOM 1581 CD LYS A 98 -0.083 -5.788 -9.003 1.00 55.24 C ATOM 1582 CE LYS A 98 -0.340 -7.213 -9.483 1.00 51.00 C ATOM 1583 NZ LYS A 98 -1.440 -7.876 -8.732 1.00 14.41 N ATOM 0 H LYS A 98 2.456 -2.594 -5.939 1.00 53.42 H new ATOM 0 HA LYS A 98 0.313 -4.421 -5.003 1.00 3.32 H new ATOM 0 HB2 LYS A 98 -0.057 -3.637 -7.284 1.00 64.01 H new ATOM 0 HB3 LYS A 98 1.591 -4.025 -7.735 1.00 64.01 H new ATOM 0 HG2 LYS A 98 1.120 -6.447 -7.345 1.00 62.43 H new ATOM 0 HG3 LYS A 98 -0.532 -6.051 -6.915 1.00 62.43 H new ATOM 0 HD2 LYS A 98 -0.979 -5.187 -9.157 1.00 55.24 H new ATOM 0 HD3 LYS A 98 0.708 -5.341 -9.605 1.00 55.24 H new ATOM 0 HE2 LYS A 98 -0.587 -7.197 -10.544 1.00 51.00 H new ATOM 0 HE3 LYS A 98 0.573 -7.799 -9.377 1.00 51.00 H new ATOM 0 HZ1 LYS A 98 -1.702 -8.762 -9.210 1.00 14.41 H new ATOM 0 HZ2 LYS A 98 -1.122 -8.085 -7.764 1.00 14.41 H new ATOM 0 HZ3 LYS A 98 -2.266 -7.245 -8.696 1.00 14.41 H new ATOM 1597 N ARG A 99 1.847 -6.350 -4.636 1.00 53.21 N ATOM 1598 CA ARG A 99 2.733 -7.478 -4.386 1.00 4.31 C ATOM 1599 C ARG A 99 2.863 -8.266 -5.682 1.00 63.23 C ATOM 1600 O ARG A 99 2.035 -9.118 -5.991 1.00 63.40 O ATOM 1601 CB ARG A 99 2.180 -8.345 -3.234 1.00 40.11 C ATOM 1602 CG ARG A 99 3.133 -9.424 -2.702 1.00 53.01 C ATOM 1603 CD ARG A 99 3.204 -10.651 -3.609 1.00 42.32 C ATOM 1604 NE ARG A 99 1.869 -11.132 -3.970 1.00 63.40 N ATOM 1605 CZ ARG A 99 1.213 -12.108 -3.336 1.00 24.42 C ATOM 1606 NH1 ARG A 99 1.774 -12.754 -2.323 1.00 11.11 N ATOM 1607 NH2 ARG A 99 -0.009 -12.435 -3.729 1.00 72.42 N ATOM 0 H ARG A 99 0.911 -6.455 -4.244 1.00 53.21 H new ATOM 0 HA ARG A 99 3.721 -7.137 -4.076 1.00 4.31 H new ATOM 0 HB2 ARG A 99 1.905 -7.689 -2.408 1.00 40.11 H new ATOM 0 HB3 ARG A 99 1.265 -8.829 -3.574 1.00 40.11 H new ATOM 0 HG2 ARG A 99 4.131 -8.999 -2.594 1.00 53.01 H new ATOM 0 HG3 ARG A 99 2.808 -9.731 -1.708 1.00 53.01 H new ATOM 0 HD2 ARG A 99 3.759 -10.404 -4.514 1.00 42.32 H new ATOM 0 HD3 ARG A 99 3.754 -11.446 -3.105 1.00 42.32 H new ATOM 0 HE ARG A 99 1.406 -10.689 -4.764 1.00 63.40 H new ATOM 0 HH11 ARG A 99 2.716 -12.507 -2.020 1.00 11.11 H new ATOM 0 HH12 ARG A 99 1.263 -13.497 -1.847 1.00 11.11 H new ATOM 0 HH21 ARG A 99 -0.442 -11.943 -4.510 1.00 72.42 H new ATOM 0 HH22 ARG A 99 -0.517 -13.179 -3.250 1.00 72.42 H new ATOM 1621 N ILE A 100 3.889 -7.939 -6.452 1.00 42.31 N ATOM 1622 CA ILE A 100 4.041 -8.462 -7.802 1.00 22.33 C ATOM 1623 C ILE A 100 4.161 -9.984 -7.810 1.00 20.03 C ATOM 1624 O ILE A 100 3.234 -10.684 -8.228 1.00 14.14 O ATOM 1625 CB ILE A 100 5.268 -7.841 -8.504 1.00 20.21 C ATOM 1626 CG1 ILE A 100 5.186 -6.303 -8.470 1.00 65.44 C ATOM 1627 CG2 ILE A 100 5.372 -8.347 -9.941 1.00 44.40 C ATOM 1628 CD1 ILE A 100 3.906 -5.747 -9.053 1.00 61.51 C ATOM 0 H ILE A 100 4.636 -7.308 -6.162 1.00 42.31 H new ATOM 0 HA ILE A 100 3.140 -8.186 -8.350 1.00 22.33 H new ATOM 0 HB ILE A 100 6.167 -8.146 -7.969 1.00 20.21 H new ATOM 0 HG12 ILE A 100 5.280 -5.966 -7.438 1.00 65.44 H new ATOM 0 HG13 ILE A 100 6.033 -5.891 -9.018 1.00 65.44 H new ATOM 0 HG21 ILE A 100 6.242 -7.900 -10.422 1.00 44.40 H new ATOM 0 HG22 ILE A 100 5.477 -9.432 -9.938 1.00 44.40 H new ATOM 0 HG23 ILE A 100 4.472 -8.071 -10.490 1.00 44.40 H new ATOM 0 HD11 ILE A 100 3.922 -4.659 -8.994 1.00 61.51 H new ATOM 0 HD12 ILE A 100 3.818 -6.052 -10.096 1.00 61.51 H new ATOM 0 HD13 ILE A 100 3.054 -6.129 -8.490 1.00 61.51 H new ATOM 1640 N ARG A 101 5.298 -10.487 -7.341 1.00 61.32 N ATOM 1641 CA ARG A 101 5.563 -11.920 -7.337 1.00 42.31 C ATOM 1642 C ARG A 101 6.777 -12.224 -6.463 1.00 54.33 C ATOM 1643 O ARG A 101 7.264 -11.352 -5.739 1.00 14.50 O ATOM 1644 CB ARG A 101 5.776 -12.428 -8.773 1.00 53.40 C ATOM 1645 CG ARG A 101 7.012 -11.860 -9.466 1.00 73.52 C ATOM 1646 CD ARG A 101 7.086 -12.292 -10.927 1.00 0.11 C ATOM 1647 NE ARG A 101 6.017 -11.694 -11.739 1.00 71.33 N ATOM 1648 CZ ARG A 101 5.105 -12.389 -12.421 1.00 22.34 C ATOM 1649 NH1 ARG A 101 5.085 -13.716 -12.365 1.00 70.53 N ATOM 1650 NH2 ARG A 101 4.207 -11.752 -13.160 1.00 4.32 N ATOM 0 H ARG A 101 6.054 -9.920 -6.957 1.00 61.32 H new ATOM 0 HA ARG A 101 4.701 -12.440 -6.920 1.00 42.31 H new ATOM 0 HB2 ARG A 101 5.853 -13.515 -8.753 1.00 53.40 H new ATOM 0 HB3 ARG A 101 4.896 -12.181 -9.367 1.00 53.40 H new ATOM 0 HG2 ARG A 101 6.994 -10.772 -9.408 1.00 73.52 H new ATOM 0 HG3 ARG A 101 7.908 -12.192 -8.942 1.00 73.52 H new ATOM 0 HD2 ARG A 101 8.054 -12.008 -11.339 1.00 0.11 H new ATOM 0 HD3 ARG A 101 7.020 -13.378 -10.986 1.00 0.11 H new ATOM 0 HE ARG A 101 5.969 -10.676 -11.784 1.00 71.33 H new ATOM 0 HH11 ARG A 101 5.771 -14.213 -11.797 1.00 70.53 H new ATOM 0 HH12 ARG A 101 4.384 -14.238 -12.890 1.00 70.53 H new ATOM 0 HH21 ARG A 101 4.215 -10.733 -13.206 1.00 4.32 H new ATOM 0 HH22 ARG A 101 3.509 -12.281 -13.682 1.00 4.32 H new ATOM 1664 N LYS A 102 7.261 -13.460 -6.520 1.00 73.04 N ATOM 1665 CA LYS A 102 8.377 -13.883 -5.683 1.00 13.43 C ATOM 1666 C LYS A 102 9.735 -13.546 -6.306 1.00 12.23 C ATOM 1667 O LYS A 102 10.402 -14.418 -6.864 1.00 43.42 O ATOM 1668 CB LYS A 102 8.280 -15.385 -5.364 1.00 65.15 C ATOM 1669 CG LYS A 102 7.357 -15.707 -4.190 1.00 53.13 C ATOM 1670 CD LYS A 102 7.894 -15.120 -2.884 1.00 71.33 C ATOM 1671 CE LYS A 102 7.013 -15.474 -1.694 1.00 73.10 C ATOM 1672 NZ LYS A 102 7.595 -14.993 -0.410 1.00 62.01 N ATOM 0 H LYS A 102 6.898 -14.186 -7.137 1.00 73.04 H new ATOM 0 HA LYS A 102 8.307 -13.322 -4.751 1.00 13.43 H new ATOM 0 HB2 LYS A 102 7.925 -15.913 -6.249 1.00 65.15 H new ATOM 0 HB3 LYS A 102 9.278 -15.766 -5.145 1.00 65.15 H new ATOM 0 HG2 LYS A 102 6.361 -15.310 -4.388 1.00 53.13 H new ATOM 0 HG3 LYS A 102 7.255 -16.788 -4.091 1.00 53.13 H new ATOM 0 HD2 LYS A 102 8.905 -15.489 -2.709 1.00 71.33 H new ATOM 0 HD3 LYS A 102 7.962 -14.036 -2.975 1.00 71.33 H new ATOM 0 HE2 LYS A 102 6.024 -15.036 -1.831 1.00 73.10 H new ATOM 0 HE3 LYS A 102 6.879 -16.555 -1.650 1.00 73.10 H new ATOM 0 HZ1 LYS A 102 6.829 -14.795 0.266 1.00 62.01 H new ATOM 0 HZ2 LYS A 102 8.222 -15.724 -0.018 1.00 62.01 H new ATOM 0 HZ3 LYS A 102 8.140 -14.124 -0.580 1.00 62.01 H new ATOM 1686 N LEU A 103 10.090 -12.261 -6.229 1.00 41.22 N ATOM 1687 CA LEU A 103 11.457 -11.772 -6.473 1.00 35.20 C ATOM 1688 C LEU A 103 12.050 -12.274 -7.795 1.00 4.32 C ATOM 1689 O LEU A 103 12.483 -13.427 -7.904 1.00 44.24 O ATOM 1690 CB LEU A 103 12.381 -12.149 -5.295 1.00 23.12 C ATOM 1691 CG LEU A 103 12.019 -11.528 -3.924 1.00 1.30 C ATOM 1692 CD1 LEU A 103 11.951 -10.007 -4.014 1.00 33.43 C ATOM 1693 CD2 LEU A 103 10.711 -12.101 -3.383 1.00 31.43 C ATOM 0 H LEU A 103 9.431 -11.519 -5.993 1.00 41.22 H new ATOM 0 HA LEU A 103 11.389 -10.687 -6.553 1.00 35.20 H new ATOM 0 HB2 LEU A 103 12.381 -13.234 -5.192 1.00 23.12 H new ATOM 0 HB3 LEU A 103 13.399 -11.853 -5.548 1.00 23.12 H new ATOM 0 HG LEU A 103 12.811 -11.790 -3.223 1.00 1.30 H new ATOM 0 HD11 LEU A 103 11.695 -9.596 -3.038 1.00 33.43 H new ATOM 0 HD12 LEU A 103 12.919 -9.618 -4.329 1.00 33.43 H new ATOM 0 HD13 LEU A 103 11.190 -9.719 -4.740 1.00 33.43 H new ATOM 0 HD21 LEU A 103 10.485 -11.645 -2.419 1.00 31.43 H new ATOM 0 HD22 LEU A 103 9.903 -11.889 -4.084 1.00 31.43 H new ATOM 0 HD23 LEU A 103 10.810 -13.179 -3.259 1.00 31.43 H new