USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=17 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 24 HIS : no HE2:sc= 0.509 K(o=1.8,f=-2.8!) USER MOD Set 1.2: A 94 TYR OH : rot 115:sc= 1.28 USER MOD Set 2.1: A 83 TYR OH : rot -169:sc= 0.658 USER MOD Set 2.2: A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.0305 X(o=-0.031,f=-0.35) USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 25 ASN : amide:sc= -2.04 K(o=-2,f=-12!) USER MOD Single : A 27 LYS NZ :NH3+ -170:sc=-0.00334 (180deg=-0.116) USER MOD Single : A 31 ASN : amide:sc= 0.301 X(o=0.3,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -172:sc=-0.00625 (180deg=-0.083) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.016 USER MOD Single : A 44 ASN : amide:sc= 1.04 K(o=1,f=-4.2!) USER MOD Single : A 45 LYS NZ :NH3+ 168:sc=-0.00335 (180deg=-0.122) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 150:sc= -1.1 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0829 K(o=-0.083,f=-0.7) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -38:sc= 0.198 USER MOD Single : A 76 LYS NZ :NH3+ -172:sc=-0.00563 (180deg=-0.0823) USER MOD Single : A 78 SER OG : rot 103:sc= 0.768 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0.195 K(o=0.2,f=-6.4!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 135 N GLY A 9 10.577 -1.336 -13.754 1.00 51.20 N ATOM 136 CA GLY A 9 10.123 -1.119 -12.392 1.00 24.22 C ATOM 137 C GLY A 9 10.301 0.330 -11.982 1.00 64.52 C ATOM 138 O GLY A 9 11.421 0.762 -11.702 1.00 3.21 O ATOM 0 HA2 GLY A 9 9.073 -1.398 -12.307 1.00 24.22 H new ATOM 0 HA3 GLY A 9 10.680 -1.764 -11.712 1.00 24.22 H new ATOM 142 N GLU A 10 9.200 1.083 -11.964 1.00 41.32 N ATOM 143 CA GLU A 10 9.251 2.516 -11.679 1.00 5.55 C ATOM 144 C GLU A 10 9.786 2.761 -10.271 1.00 4.24 C ATOM 145 O GLU A 10 10.847 3.363 -10.093 1.00 41.30 O ATOM 146 CB GLU A 10 7.864 3.158 -11.855 1.00 71.21 C ATOM 147 CG GLU A 10 7.886 4.685 -11.813 1.00 33.31 C ATOM 148 CD GLU A 10 8.818 5.280 -12.861 1.00 73.41 C ATOM 149 OE1 GLU A 10 8.515 5.171 -14.066 1.00 4.52 O ATOM 150 OE2 GLU A 10 9.870 5.847 -12.488 1.00 22.44 O ATOM 0 H GLU A 10 8.263 0.723 -12.144 1.00 41.32 H new ATOM 0 HA GLU A 10 9.931 2.983 -12.391 1.00 5.55 H new ATOM 0 HB2 GLU A 10 7.442 2.835 -12.807 1.00 71.21 H new ATOM 0 HB3 GLU A 10 7.201 2.791 -11.071 1.00 71.21 H new ATOM 0 HG2 GLU A 10 6.877 5.065 -11.970 1.00 33.31 H new ATOM 0 HG3 GLU A 10 8.200 5.014 -10.822 1.00 33.31 H new ATOM 157 N ILE A 11 9.046 2.289 -9.275 1.00 24.02 N ATOM 158 CA ILE A 11 9.479 2.358 -7.883 1.00 63.25 C ATOM 159 C ILE A 11 9.207 1.018 -7.206 1.00 14.04 C ATOM 160 O ILE A 11 8.138 0.801 -6.628 1.00 34.34 O ATOM 161 CB ILE A 11 8.772 3.503 -7.101 1.00 33.41 C ATOM 162 CG1 ILE A 11 9.026 4.858 -7.784 1.00 1.30 C ATOM 163 CG2 ILE A 11 9.247 3.540 -5.646 1.00 4.14 C ATOM 164 CD1 ILE A 11 8.338 6.029 -7.108 1.00 62.24 C ATOM 0 H ILE A 11 8.135 1.850 -9.407 1.00 24.02 H new ATOM 0 HA ILE A 11 10.547 2.576 -7.874 1.00 63.25 H new ATOM 0 HB ILE A 11 7.700 3.308 -7.106 1.00 33.41 H new ATOM 0 HG12 ILE A 11 10.100 5.045 -7.808 1.00 1.30 H new ATOM 0 HG13 ILE A 11 8.689 4.800 -8.819 1.00 1.30 H new ATOM 0 HG21 ILE A 11 8.740 4.348 -5.118 1.00 4.14 H new ATOM 0 HG22 ILE A 11 9.016 2.590 -5.164 1.00 4.14 H new ATOM 0 HG23 ILE A 11 10.324 3.708 -5.619 1.00 4.14 H new ATOM 0 HD11 ILE A 11 8.566 6.947 -7.649 1.00 62.24 H new ATOM 0 HD12 ILE A 11 7.260 5.867 -7.107 1.00 62.24 H new ATOM 0 HD13 ILE A 11 8.692 6.116 -6.081 1.00 62.24 H new ATOM 176 N MET A 12 10.161 0.111 -7.341 1.00 45.43 N ATOM 177 CA MET A 12 10.067 -1.228 -6.768 1.00 45.24 C ATOM 178 C MET A 12 10.396 -1.202 -5.273 1.00 11.15 C ATOM 179 O MET A 12 11.389 -0.603 -4.852 1.00 52.24 O ATOM 180 CB MET A 12 11.012 -2.194 -7.506 1.00 23.35 C ATOM 181 CG MET A 12 12.467 -1.733 -7.536 1.00 32.24 C ATOM 182 SD MET A 12 12.688 -0.229 -8.510 1.00 34.10 S ATOM 183 CE MET A 12 14.387 0.188 -8.141 1.00 74.42 C ATOM 0 H MET A 12 11.027 0.281 -7.853 1.00 45.43 H new ATOM 0 HA MET A 12 9.042 -1.580 -6.888 1.00 45.24 H new ATOM 0 HB2 MET A 12 10.961 -3.173 -7.028 1.00 23.35 H new ATOM 0 HB3 MET A 12 10.660 -2.320 -8.530 1.00 23.35 H new ATOM 0 HG2 MET A 12 12.811 -1.557 -6.517 1.00 32.24 H new ATOM 0 HG3 MET A 12 13.089 -2.526 -7.950 1.00 32.24 H new ATOM 0 HE1 MET A 12 14.663 1.098 -8.675 1.00 74.42 H new ATOM 0 HE2 MET A 12 14.497 0.349 -7.069 1.00 74.42 H new ATOM 0 HE3 MET A 12 15.038 -0.628 -8.454 1.00 74.42 H new ATOM 193 N ILE A 13 9.544 -1.844 -4.486 1.00 22.14 N ATOM 194 CA ILE A 13 9.717 -1.929 -3.043 1.00 14.13 C ATOM 195 C ILE A 13 9.827 -3.398 -2.635 1.00 24.31 C ATOM 196 O ILE A 13 8.820 -4.102 -2.539 1.00 2.31 O ATOM 197 CB ILE A 13 8.528 -1.263 -2.295 1.00 74.11 C ATOM 198 CG1 ILE A 13 8.259 0.148 -2.849 1.00 3.42 C ATOM 199 CG2 ILE A 13 8.796 -1.205 -0.790 1.00 73.41 C ATOM 200 CD1 ILE A 13 9.403 1.122 -2.644 1.00 23.23 C ATOM 0 H ILE A 13 8.711 -2.322 -4.831 1.00 22.14 H new ATOM 0 HA ILE A 13 10.628 -1.397 -2.770 1.00 14.13 H new ATOM 0 HB ILE A 13 7.640 -1.873 -2.461 1.00 74.11 H new ATOM 0 HG12 ILE A 13 8.046 0.073 -3.915 1.00 3.42 H new ATOM 0 HG13 ILE A 13 7.364 0.549 -2.373 1.00 3.42 H new ATOM 0 HG21 ILE A 13 7.950 -0.735 -0.288 1.00 73.41 H new ATOM 0 HG22 ILE A 13 8.931 -2.216 -0.405 1.00 73.41 H new ATOM 0 HG23 ILE A 13 9.698 -0.623 -0.603 1.00 73.41 H new ATOM 0 HD11 ILE A 13 9.134 2.092 -3.062 1.00 23.23 H new ATOM 0 HD12 ILE A 13 9.603 1.229 -1.578 1.00 23.23 H new ATOM 0 HD13 ILE A 13 10.295 0.746 -3.145 1.00 23.23 H new ATOM 212 N LEU A 14 11.058 -3.863 -2.437 1.00 20.42 N ATOM 213 CA LEU A 14 11.317 -5.251 -2.060 1.00 13.03 C ATOM 214 C LEU A 14 11.591 -5.340 -0.563 1.00 41.34 C ATOM 215 O LEU A 14 12.618 -4.848 -0.082 1.00 53.22 O ATOM 216 CB LEU A 14 12.512 -5.824 -2.848 1.00 20.44 C ATOM 217 CG LEU A 14 12.244 -6.164 -4.328 1.00 73.54 C ATOM 218 CD1 LEU A 14 11.857 -4.922 -5.129 1.00 0.32 C ATOM 219 CD2 LEU A 14 13.463 -6.846 -4.947 1.00 22.33 C ATOM 0 H LEU A 14 11.899 -3.293 -2.532 1.00 20.42 H new ATOM 0 HA LEU A 14 10.433 -5.842 -2.302 1.00 13.03 H new ATOM 0 HB2 LEU A 14 13.330 -5.105 -2.803 1.00 20.44 H new ATOM 0 HB3 LEU A 14 12.854 -6.728 -2.344 1.00 20.44 H new ATOM 0 HG LEU A 14 11.400 -6.853 -4.364 1.00 73.54 H new ATOM 0 HD11 LEU A 14 11.676 -5.200 -6.167 1.00 0.32 H new ATOM 0 HD12 LEU A 14 10.952 -4.485 -4.707 1.00 0.32 H new ATOM 0 HD13 LEU A 14 12.667 -4.194 -5.085 1.00 0.32 H new ATOM 0 HD21 LEU A 14 13.258 -7.080 -5.992 1.00 22.33 H new ATOM 0 HD22 LEU A 14 14.323 -6.179 -4.886 1.00 22.33 H new ATOM 0 HD23 LEU A 14 13.679 -7.767 -4.405 1.00 22.33 H new ATOM 231 N ILE A 15 10.672 -5.964 0.169 1.00 54.33 N ATOM 232 CA ILE A 15 10.790 -6.087 1.618 1.00 40.30 C ATOM 233 C ILE A 15 10.312 -7.465 2.090 1.00 63.13 C ATOM 234 O ILE A 15 9.237 -7.919 1.704 1.00 34.12 O ATOM 235 CB ILE A 15 9.987 -4.967 2.338 1.00 23.51 C ATOM 236 CG1 ILE A 15 10.075 -5.129 3.865 1.00 51.00 C ATOM 237 CG2 ILE A 15 8.530 -4.955 1.871 1.00 32.25 C ATOM 238 CD1 ILE A 15 9.365 -4.040 4.644 1.00 51.10 C ATOM 0 H ILE A 15 9.833 -6.394 -0.221 1.00 54.33 H new ATOM 0 HA ILE A 15 11.844 -5.978 1.875 1.00 40.30 H new ATOM 0 HB ILE A 15 10.431 -4.007 2.075 1.00 23.51 H new ATOM 0 HG12 ILE A 15 9.652 -6.094 4.142 1.00 51.00 H new ATOM 0 HG13 ILE A 15 11.125 -5.145 4.158 1.00 51.00 H new ATOM 0 HG21 ILE A 15 7.989 -4.163 2.389 1.00 32.25 H new ATOM 0 HG22 ILE A 15 8.494 -4.777 0.796 1.00 32.25 H new ATOM 0 HG23 ILE A 15 8.068 -5.917 2.095 1.00 32.25 H new ATOM 0 HD11 ILE A 15 9.474 -4.227 5.712 1.00 51.10 H new ATOM 0 HD12 ILE A 15 9.803 -3.072 4.398 1.00 51.10 H new ATOM 0 HD13 ILE A 15 8.307 -4.036 4.382 1.00 51.10 H new ATOM 250 N GLN A 16 11.139 -8.127 2.903 1.00 14.33 N ATOM 251 CA GLN A 16 10.798 -9.423 3.507 1.00 43.43 C ATOM 252 C GLN A 16 10.390 -10.452 2.443 1.00 34.13 C ATOM 253 O GLN A 16 9.413 -11.186 2.619 1.00 32.11 O ATOM 254 CB GLN A 16 9.680 -9.251 4.553 1.00 44.42 C ATOM 255 CG GLN A 16 10.033 -8.281 5.683 1.00 3.13 C ATOM 256 CD GLN A 16 11.260 -8.696 6.479 1.00 5.32 C ATOM 257 OE1 GLN A 16 11.546 -9.884 6.643 1.00 55.34 O ATOM 258 NE2 GLN A 16 11.998 -7.717 6.979 1.00 2.12 N ATOM 0 H GLN A 16 12.063 -7.783 3.163 1.00 14.33 H new ATOM 0 HA GLN A 16 11.690 -9.802 4.006 1.00 43.43 H new ATOM 0 HB2 GLN A 16 8.779 -8.898 4.052 1.00 44.42 H new ATOM 0 HB3 GLN A 16 9.445 -10.225 4.983 1.00 44.42 H new ATOM 0 HG2 GLN A 16 10.202 -7.290 5.261 1.00 3.13 H new ATOM 0 HG3 GLN A 16 9.182 -8.199 6.359 1.00 3.13 H new ATOM 0 HE21 GLN A 16 11.730 -6.745 6.823 1.00 2.12 H new ATOM 0 HE22 GLN A 16 12.835 -7.934 7.521 1.00 2.12 H new ATOM 267 N ASN A 17 11.156 -10.501 1.353 1.00 12.13 N ATOM 268 CA ASN A 17 10.915 -11.448 0.251 1.00 62.32 C ATOM 269 C ASN A 17 9.596 -11.157 -0.470 1.00 34.24 C ATOM 270 O ASN A 17 9.061 -12.016 -1.178 1.00 3.13 O ATOM 271 CB ASN A 17 10.934 -12.907 0.747 1.00 42.32 C ATOM 272 CG ASN A 17 12.336 -13.431 1.018 1.00 24.42 C ATOM 273 OD1 ASN A 17 13.248 -12.675 1.355 1.00 63.00 O ATOM 274 ND2 ASN A 17 12.518 -14.733 0.867 1.00 61.43 N ATOM 0 H ASN A 17 11.959 -9.890 1.204 1.00 12.13 H new ATOM 0 HA ASN A 17 11.729 -11.313 -0.461 1.00 62.32 H new ATOM 0 HB2 ASN A 17 10.343 -12.981 1.660 1.00 42.32 H new ATOM 0 HB3 ASN A 17 10.453 -13.543 0.004 1.00 42.32 H new ATOM 0 HD21 ASN A 17 13.438 -15.142 1.031 1.00 61.43 H new ATOM 0 HD22 ASN A 17 11.738 -15.328 0.587 1.00 61.43 H new ATOM 281 N ALA A 18 9.081 -9.946 -0.298 1.00 22.25 N ATOM 282 CA ALA A 18 7.877 -9.509 -0.998 1.00 55.12 C ATOM 283 C ALA A 18 8.211 -8.357 -1.944 1.00 13.41 C ATOM 284 O ALA A 18 8.742 -7.330 -1.516 1.00 12.51 O ATOM 285 CB ALA A 18 6.800 -9.094 0.002 1.00 51.41 C ATOM 0 H ALA A 18 9.481 -9.244 0.324 1.00 22.25 H new ATOM 0 HA ALA A 18 7.490 -10.340 -1.587 1.00 55.12 H new ATOM 0 HB1 ALA A 18 5.909 -8.771 -0.536 1.00 51.41 H new ATOM 0 HB2 ALA A 18 6.551 -9.941 0.641 1.00 51.41 H new ATOM 0 HB3 ALA A 18 7.171 -8.273 0.616 1.00 51.41 H new ATOM 291 N GLU A 19 7.917 -8.538 -3.230 1.00 51.33 N ATOM 292 CA GLU A 19 8.221 -7.531 -4.244 1.00 71.31 C ATOM 293 C GLU A 19 6.956 -6.780 -4.663 1.00 41.14 C ATOM 294 O GLU A 19 6.036 -7.364 -5.247 1.00 74.53 O ATOM 295 CB GLU A 19 8.877 -8.193 -5.465 1.00 10.02 C ATOM 296 CG GLU A 19 9.318 -7.208 -6.545 1.00 41.31 C ATOM 297 CD GLU A 19 10.095 -7.871 -7.671 1.00 34.11 C ATOM 298 OE1 GLU A 19 9.512 -8.708 -8.395 1.00 2.11 O ATOM 299 OE2 GLU A 19 11.292 -7.554 -7.850 1.00 34.33 O ATOM 0 H GLU A 19 7.466 -9.377 -3.595 1.00 51.33 H new ATOM 0 HA GLU A 19 8.917 -6.810 -3.815 1.00 71.31 H new ATOM 0 HB2 GLU A 19 9.744 -8.764 -5.133 1.00 10.02 H new ATOM 0 HB3 GLU A 19 8.175 -8.904 -5.901 1.00 10.02 H new ATOM 0 HG2 GLU A 19 8.439 -6.714 -6.959 1.00 41.31 H new ATOM 0 HG3 GLU A 19 9.936 -6.433 -6.092 1.00 41.31 H new ATOM 306 N PHE A 20 6.914 -5.493 -4.337 1.00 42.52 N ATOM 307 CA PHE A 20 5.817 -4.607 -4.732 1.00 45.23 C ATOM 308 C PHE A 20 6.369 -3.456 -5.574 1.00 20.33 C ATOM 309 O PHE A 20 7.583 -3.328 -5.725 1.00 5.13 O ATOM 310 CB PHE A 20 5.107 -4.028 -3.495 1.00 65.54 C ATOM 311 CG PHE A 20 4.534 -5.062 -2.555 1.00 71.24 C ATOM 312 CD1 PHE A 20 3.292 -5.632 -2.798 1.00 20.24 C ATOM 313 CD2 PHE A 20 5.233 -5.454 -1.420 1.00 31.42 C ATOM 314 CE1 PHE A 20 2.762 -6.571 -1.932 1.00 21.11 C ATOM 315 CE2 PHE A 20 4.706 -6.392 -0.554 1.00 32.31 C ATOM 316 CZ PHE A 20 3.470 -6.952 -0.810 1.00 4.24 C ATOM 0 H PHE A 20 7.640 -5.030 -3.790 1.00 42.52 H new ATOM 0 HA PHE A 20 5.098 -5.187 -5.311 1.00 45.23 H new ATOM 0 HB2 PHE A 20 5.814 -3.408 -2.944 1.00 65.54 H new ATOM 0 HB3 PHE A 20 4.302 -3.374 -3.828 1.00 65.54 H new ATOM 0 HD1 PHE A 20 2.733 -5.339 -3.674 1.00 20.24 H new ATOM 0 HD2 PHE A 20 6.200 -5.020 -1.212 1.00 31.42 H new ATOM 0 HE1 PHE A 20 1.794 -7.006 -2.134 1.00 21.11 H new ATOM 0 HE2 PHE A 20 5.261 -6.688 0.324 1.00 32.31 H new ATOM 0 HZ PHE A 20 3.058 -7.687 -0.134 1.00 4.24 H new ATOM 326 N GLU A 21 5.484 -2.644 -6.143 1.00 45.42 N ATOM 327 CA GLU A 21 5.891 -1.393 -6.780 1.00 14.34 C ATOM 328 C GLU A 21 4.782 -0.353 -6.645 1.00 21.12 C ATOM 329 O GLU A 21 3.604 -0.702 -6.525 1.00 12.22 O ATOM 330 CB GLU A 21 6.254 -1.603 -8.263 1.00 14.33 C ATOM 331 CG GLU A 21 5.075 -1.495 -9.228 1.00 71.41 C ATOM 332 CD GLU A 21 5.481 -1.708 -10.678 1.00 43.42 C ATOM 333 OE1 GLU A 21 6.475 -1.093 -11.129 1.00 32.44 O ATOM 334 OE2 GLU A 21 4.822 -2.501 -11.379 1.00 61.24 O ATOM 0 H GLU A 21 4.481 -2.828 -6.177 1.00 45.42 H new ATOM 0 HA GLU A 21 6.785 -1.032 -6.271 1.00 14.34 H new ATOM 0 HB2 GLU A 21 7.007 -0.868 -8.547 1.00 14.33 H new ATOM 0 HB3 GLU A 21 6.710 -2.587 -8.376 1.00 14.33 H new ATOM 0 HG2 GLU A 21 4.319 -2.231 -8.955 1.00 71.41 H new ATOM 0 HG3 GLU A 21 4.615 -0.512 -9.125 1.00 71.41 H new ATOM 341 N LEU A 22 5.168 0.919 -6.648 1.00 52.25 N ATOM 342 CA LEU A 22 4.214 2.018 -6.565 1.00 12.45 C ATOM 343 C LEU A 22 3.508 2.209 -7.909 1.00 13.14 C ATOM 344 O LEU A 22 4.112 2.691 -8.869 1.00 13.54 O ATOM 345 CB LEU A 22 4.928 3.314 -6.152 1.00 53.14 C ATOM 346 CG LEU A 22 4.017 4.544 -5.983 1.00 21.02 C ATOM 347 CD1 LEU A 22 3.001 4.313 -4.867 1.00 62.41 C ATOM 348 CD2 LEU A 22 4.849 5.798 -5.713 1.00 0.30 C ATOM 0 H LEU A 22 6.142 1.215 -6.708 1.00 52.25 H new ATOM 0 HA LEU A 22 3.468 1.775 -5.809 1.00 12.45 H new ATOM 0 HB2 LEU A 22 5.450 3.138 -5.212 1.00 53.14 H new ATOM 0 HB3 LEU A 22 5.687 3.545 -6.899 1.00 53.14 H new ATOM 0 HG LEU A 22 3.469 4.695 -6.913 1.00 21.02 H new ATOM 0 HD11 LEU A 22 2.367 5.194 -4.764 1.00 62.41 H new ATOM 0 HD12 LEU A 22 2.384 3.448 -5.110 1.00 62.41 H new ATOM 0 HD13 LEU A 22 3.526 4.132 -3.929 1.00 62.41 H new ATOM 0 HD21 LEU A 22 4.187 6.656 -5.597 1.00 0.30 H new ATOM 0 HD22 LEU A 22 5.429 5.661 -4.800 1.00 0.30 H new ATOM 0 HD23 LEU A 22 5.526 5.973 -6.549 1.00 0.30 H new ATOM 360 N VAL A 23 2.240 1.811 -7.973 1.00 53.22 N ATOM 361 CA VAL A 23 1.458 1.921 -9.206 1.00 54.34 C ATOM 362 C VAL A 23 0.616 3.199 -9.221 1.00 33.41 C ATOM 363 O VAL A 23 0.147 3.632 -10.278 1.00 33.00 O ATOM 364 CB VAL A 23 0.523 0.696 -9.401 1.00 43.21 C ATOM 365 CG1 VAL A 23 1.332 -0.594 -9.528 1.00 32.14 C ATOM 366 CG2 VAL A 23 -0.486 0.590 -8.258 1.00 72.32 C ATOM 0 H VAL A 23 1.730 1.409 -7.186 1.00 53.22 H new ATOM 0 HA VAL A 23 2.175 1.954 -10.026 1.00 54.34 H new ATOM 0 HB VAL A 23 -0.030 0.843 -10.329 1.00 43.21 H new ATOM 0 HG11 VAL A 23 0.654 -1.437 -9.664 1.00 32.14 H new ATOM 0 HG12 VAL A 23 1.998 -0.522 -10.388 1.00 32.14 H new ATOM 0 HG13 VAL A 23 1.921 -0.744 -8.623 1.00 32.14 H new ATOM 0 HG21 VAL A 23 -1.128 -0.276 -8.419 1.00 72.32 H new ATOM 0 HG22 VAL A 23 0.045 0.477 -7.313 1.00 72.32 H new ATOM 0 HG23 VAL A 23 -1.096 1.493 -8.226 1.00 72.32 H new ATOM 376 N HIS A 24 0.421 3.799 -8.047 1.00 72.24 N ATOM 377 CA HIS A 24 -0.427 4.986 -7.919 1.00 14.13 C ATOM 378 C HIS A 24 -0.085 5.763 -6.652 1.00 3.43 C ATOM 379 O HIS A 24 0.040 5.179 -5.577 1.00 32.02 O ATOM 380 CB HIS A 24 -1.905 4.572 -7.898 1.00 44.14 C ATOM 381 CG HIS A 24 -2.867 5.718 -7.781 1.00 54.22 C ATOM 382 ND1 HIS A 24 -3.098 6.619 -8.795 1.00 65.13 N ATOM 383 CD2 HIS A 24 -3.668 6.100 -6.760 1.00 1.32 C ATOM 384 CE1 HIS A 24 -3.996 7.503 -8.403 1.00 52.42 C ATOM 385 NE2 HIS A 24 -4.363 7.210 -7.169 1.00 31.32 N ATOM 0 H HIS A 24 0.838 3.484 -7.171 1.00 72.24 H new ATOM 0 HA HIS A 24 -0.246 5.633 -8.777 1.00 14.13 H new ATOM 0 HB2 HIS A 24 -2.128 4.018 -8.810 1.00 44.14 H new ATOM 0 HB3 HIS A 24 -2.067 3.890 -7.063 1.00 44.14 H new ATOM 0 HD1 HIS A 24 -2.645 6.606 -9.709 1.00 65.13 H new ATOM 0 HD2 HIS A 24 -3.746 5.618 -5.797 1.00 1.32 H new ATOM 0 HE1 HIS A 24 -4.368 8.328 -8.993 1.00 52.42 H new ATOM 394 N ASN A 25 0.046 7.080 -6.784 1.00 13.34 N ATOM 395 CA ASN A 25 0.361 7.955 -5.655 1.00 44.50 C ATOM 396 C ASN A 25 -0.597 9.148 -5.655 1.00 45.45 C ATOM 397 O ASN A 25 -1.101 9.542 -6.711 1.00 13.33 O ATOM 398 CB ASN A 25 1.820 8.441 -5.763 1.00 12.11 C ATOM 399 CG ASN A 25 2.347 9.099 -4.490 1.00 43.15 C ATOM 400 OD1 ASN A 25 1.587 9.591 -3.656 1.00 60.30 O ATOM 401 ND2 ASN A 25 3.663 9.131 -4.347 1.00 14.52 N ATOM 0 H ASN A 25 -0.062 7.571 -7.672 1.00 13.34 H new ATOM 0 HA ASN A 25 0.245 7.404 -4.722 1.00 44.50 H new ATOM 0 HB2 ASN A 25 2.458 7.593 -6.013 1.00 12.11 H new ATOM 0 HB3 ASN A 25 1.896 9.151 -6.586 1.00 12.11 H new ATOM 0 HD21 ASN A 25 4.076 9.573 -3.526 1.00 14.52 H new ATOM 0 HD22 ASN A 25 4.264 8.713 -5.058 1.00 14.52 H new ATOM 408 N PHE A 26 -0.868 9.694 -4.477 1.00 53.31 N ATOM 409 CA PHE A 26 -1.725 10.869 -4.336 1.00 43.45 C ATOM 410 C PHE A 26 -1.110 11.817 -3.322 1.00 75.20 C ATOM 411 O PHE A 26 -0.860 11.430 -2.175 1.00 45.25 O ATOM 412 CB PHE A 26 -3.143 10.464 -3.901 1.00 43.01 C ATOM 413 CG PHE A 26 -4.145 11.594 -3.978 1.00 24.53 C ATOM 414 CD1 PHE A 26 -4.189 12.574 -2.998 1.00 50.00 C ATOM 415 CD2 PHE A 26 -5.037 11.678 -5.039 1.00 64.43 C ATOM 416 CE1 PHE A 26 -5.095 13.612 -3.071 1.00 32.02 C ATOM 417 CE2 PHE A 26 -5.949 12.714 -5.116 1.00 31.23 C ATOM 418 CZ PHE A 26 -5.978 13.683 -4.130 1.00 54.13 C ATOM 0 H PHE A 26 -0.503 9.338 -3.594 1.00 53.31 H new ATOM 0 HA PHE A 26 -1.803 11.370 -5.301 1.00 43.45 H new ATOM 0 HB2 PHE A 26 -3.486 9.642 -4.529 1.00 43.01 H new ATOM 0 HB3 PHE A 26 -3.107 10.090 -2.878 1.00 43.01 H new ATOM 0 HD1 PHE A 26 -3.504 12.524 -2.165 1.00 50.00 H new ATOM 0 HD2 PHE A 26 -5.018 10.925 -5.813 1.00 64.43 H new ATOM 0 HE1 PHE A 26 -5.113 14.368 -2.300 1.00 32.02 H new ATOM 0 HE2 PHE A 26 -6.638 12.767 -5.946 1.00 31.23 H new ATOM 0 HZ PHE A 26 -6.690 14.493 -4.188 1.00 54.13 H new ATOM 428 N LYS A 27 -0.841 13.043 -3.766 1.00 65.12 N ATOM 429 CA LYS A 27 -0.307 14.094 -2.903 1.00 32.22 C ATOM 430 C LYS A 27 1.051 13.679 -2.335 1.00 32.52 C ATOM 431 O LYS A 27 1.489 14.173 -1.292 1.00 13.01 O ATOM 432 CB LYS A 27 -1.319 14.402 -1.788 1.00 34.12 C ATOM 433 CG LYS A 27 -1.142 15.770 -1.128 1.00 64.13 C ATOM 434 CD LYS A 27 -2.471 16.311 -0.613 1.00 54.11 C ATOM 435 CE LYS A 27 -3.446 16.556 -1.763 1.00 52.24 C ATOM 436 NZ LYS A 27 -2.996 17.675 -2.635 1.00 22.25 N ATOM 0 H LYS A 27 -0.987 13.335 -4.732 1.00 65.12 H new ATOM 0 HA LYS A 27 -0.151 15.002 -3.485 1.00 32.22 H new ATOM 0 HB2 LYS A 27 -2.326 14.340 -2.202 1.00 34.12 H new ATOM 0 HB3 LYS A 27 -1.241 13.631 -1.022 1.00 34.12 H new ATOM 0 HG2 LYS A 27 -0.435 15.689 -0.302 1.00 64.13 H new ATOM 0 HG3 LYS A 27 -0.715 16.470 -1.846 1.00 64.13 H new ATOM 0 HD2 LYS A 27 -2.906 15.604 0.093 1.00 54.11 H new ATOM 0 HD3 LYS A 27 -2.303 17.241 -0.070 1.00 54.11 H new ATOM 0 HE2 LYS A 27 -3.544 15.648 -2.357 1.00 52.24 H new ATOM 0 HE3 LYS A 27 -4.434 16.782 -1.361 1.00 52.24 H new ATOM 0 HZ1 LYS A 27 -3.756 17.925 -3.299 1.00 22.25 H new ATOM 0 HZ2 LYS A 27 -2.764 18.501 -2.048 1.00 22.25 H new ATOM 0 HZ3 LYS A 27 -2.153 17.382 -3.169 1.00 22.25 H new ATOM 450 N ASP A 28 1.711 12.773 -3.057 1.00 22.21 N ATOM 451 CA ASP A 28 3.032 12.267 -2.689 1.00 25.45 C ATOM 452 C ASP A 28 2.993 11.635 -1.297 1.00 65.03 C ATOM 453 O ASP A 28 3.957 11.699 -0.539 1.00 23.44 O ATOM 454 CB ASP A 28 4.078 13.392 -2.770 1.00 12.12 C ATOM 455 CG ASP A 28 5.504 12.892 -2.592 1.00 60.24 C ATOM 456 OD1 ASP A 28 5.887 11.917 -3.275 1.00 24.44 O ATOM 457 OD2 ASP A 28 6.256 13.486 -1.785 1.00 13.12 O ATOM 0 H ASP A 28 1.342 12.368 -3.917 1.00 22.21 H new ATOM 0 HA ASP A 28 3.323 11.491 -3.397 1.00 25.45 H new ATOM 0 HB2 ASP A 28 3.992 13.892 -3.735 1.00 12.12 H new ATOM 0 HB3 ASP A 28 3.862 14.137 -2.004 1.00 12.12 H new ATOM 462 N GLY A 29 1.866 11.000 -0.983 1.00 44.13 N ATOM 463 CA GLY A 29 1.705 10.347 0.306 1.00 71.22 C ATOM 464 C GLY A 29 2.627 9.150 0.476 1.00 32.03 C ATOM 465 O GLY A 29 2.795 8.634 1.586 1.00 75.45 O ATOM 0 H GLY A 29 1.058 10.926 -1.601 1.00 44.13 H new ATOM 0 HA2 GLY A 29 1.901 11.067 1.101 1.00 71.22 H new ATOM 0 HA3 GLY A 29 0.670 10.022 0.418 1.00 71.22 H new ATOM 469 N PHE A 30 3.220 8.700 -0.627 1.00 71.24 N ATOM 470 CA PHE A 30 4.138 7.569 -0.599 1.00 73.21 C ATOM 471 C PHE A 30 5.389 7.892 0.216 1.00 33.32 C ATOM 472 O PHE A 30 6.121 8.832 -0.098 1.00 42.41 O ATOM 473 CB PHE A 30 4.535 7.144 -2.019 1.00 70.53 C ATOM 474 CG PHE A 30 5.586 6.057 -2.044 1.00 14.45 C ATOM 475 CD1 PHE A 30 5.263 4.752 -1.690 1.00 34.41 C ATOM 476 CD2 PHE A 30 6.896 6.343 -2.403 1.00 24.33 C ATOM 477 CE1 PHE A 30 6.225 3.757 -1.699 1.00 33.31 C ATOM 478 CE2 PHE A 30 7.861 5.351 -2.411 1.00 51.33 C ATOM 479 CZ PHE A 30 7.523 4.060 -2.059 1.00 23.41 C ATOM 0 H PHE A 30 3.079 9.104 -1.553 1.00 71.24 H new ATOM 0 HA PHE A 30 3.616 6.741 -0.120 1.00 73.21 H new ATOM 0 HB2 PHE A 30 3.648 6.795 -2.548 1.00 70.53 H new ATOM 0 HB3 PHE A 30 4.908 8.013 -2.561 1.00 70.53 H new ATOM 0 HD1 PHE A 30 4.249 4.512 -1.405 1.00 34.41 H new ATOM 0 HD2 PHE A 30 7.165 7.352 -2.679 1.00 24.33 H new ATOM 0 HE1 PHE A 30 5.961 2.746 -1.425 1.00 33.31 H new ATOM 0 HE2 PHE A 30 8.877 5.587 -2.692 1.00 51.33 H new ATOM 0 HZ PHE A 30 8.275 3.285 -2.065 1.00 23.41 H new ATOM 489 N ASN A 31 5.612 7.107 1.261 1.00 14.53 N ATOM 490 CA ASN A 31 6.820 7.196 2.072 1.00 50.35 C ATOM 491 C ASN A 31 7.297 5.788 2.406 1.00 4.22 C ATOM 492 O ASN A 31 6.695 5.110 3.244 1.00 51.50 O ATOM 493 CB ASN A 31 6.559 7.987 3.368 1.00 42.43 C ATOM 494 CG ASN A 31 6.362 9.479 3.134 1.00 63.12 C ATOM 495 OD1 ASN A 31 7.318 10.256 3.176 1.00 74.34 O ATOM 496 ND2 ASN A 31 5.125 9.889 2.888 1.00 12.14 N ATOM 0 H ASN A 31 4.959 6.388 1.572 1.00 14.53 H new ATOM 0 HA ASN A 31 7.588 7.725 1.507 1.00 50.35 H new ATOM 0 HB2 ASN A 31 5.674 7.583 3.860 1.00 42.43 H new ATOM 0 HB3 ASN A 31 7.397 7.841 4.050 1.00 42.43 H new ATOM 0 HD21 ASN A 31 4.939 10.879 2.725 1.00 12.14 H new ATOM 0 HD22 ASN A 31 4.360 9.215 2.861 1.00 12.14 H new ATOM 503 N GLU A 32 8.355 5.345 1.731 1.00 2.13 N ATOM 504 CA GLU A 32 8.898 3.997 1.913 1.00 32.25 C ATOM 505 C GLU A 32 9.128 3.698 3.391 1.00 43.24 C ATOM 506 O GLU A 32 8.714 2.653 3.895 1.00 53.54 O ATOM 507 CB GLU A 32 10.222 3.843 1.151 1.00 3.33 C ATOM 508 CG GLU A 32 10.830 2.447 1.256 1.00 53.50 C ATOM 509 CD GLU A 32 12.257 2.382 0.734 1.00 73.12 C ATOM 510 OE1 GLU A 32 12.447 2.127 -0.472 1.00 43.51 O ATOM 511 OE2 GLU A 32 13.198 2.583 1.536 1.00 41.44 O ATOM 0 H GLU A 32 8.860 5.906 1.045 1.00 2.13 H new ATOM 0 HA GLU A 32 8.169 3.289 1.518 1.00 32.25 H new ATOM 0 HB2 GLU A 32 10.056 4.080 0.100 1.00 3.33 H new ATOM 0 HB3 GLU A 32 10.938 4.571 1.532 1.00 3.33 H new ATOM 0 HG2 GLU A 32 10.815 2.127 2.298 1.00 53.50 H new ATOM 0 HG3 GLU A 32 10.212 1.744 0.698 1.00 53.50 H new ATOM 518 N GLU A 33 9.774 4.636 4.080 1.00 74.20 N ATOM 519 CA GLU A 33 10.115 4.472 5.491 1.00 2.30 C ATOM 520 C GLU A 33 8.865 4.203 6.333 1.00 14.24 C ATOM 521 O GLU A 33 8.879 3.347 7.217 1.00 61.44 O ATOM 522 CB GLU A 33 10.858 5.711 6.002 1.00 71.31 C ATOM 523 CG GLU A 33 10.070 7.008 5.860 1.00 31.53 C ATOM 524 CD GLU A 33 10.873 8.224 6.282 1.00 42.30 C ATOM 525 OE1 GLU A 33 11.151 8.367 7.490 1.00 73.51 O ATOM 526 OE2 GLU A 33 11.234 9.040 5.409 1.00 23.44 O ATOM 0 H GLU A 33 10.074 5.525 3.680 1.00 74.20 H new ATOM 0 HA GLU A 33 10.771 3.607 5.587 1.00 2.30 H new ATOM 0 HB2 GLU A 33 11.110 5.564 7.052 1.00 71.31 H new ATOM 0 HB3 GLU A 33 11.798 5.808 5.459 1.00 71.31 H new ATOM 0 HG2 GLU A 33 9.755 7.126 4.823 1.00 31.53 H new ATOM 0 HG3 GLU A 33 9.164 6.947 6.463 1.00 31.53 H new ATOM 533 N ALA A 34 7.781 4.914 6.028 1.00 14.04 N ATOM 534 CA ALA A 34 6.531 4.765 6.766 1.00 64.31 C ATOM 535 C ALA A 34 5.864 3.435 6.423 1.00 30.02 C ATOM 536 O ALA A 34 5.289 2.775 7.290 1.00 42.52 O ATOM 537 CB ALA A 34 5.594 5.932 6.472 1.00 4.21 C ATOM 0 H ALA A 34 7.745 5.600 5.274 1.00 14.04 H new ATOM 0 HA ALA A 34 6.756 4.769 7.833 1.00 64.31 H new ATOM 0 HB1 ALA A 34 4.667 5.804 7.031 1.00 4.21 H new ATOM 0 HB2 ALA A 34 6.071 6.866 6.770 1.00 4.21 H new ATOM 0 HB3 ALA A 34 5.373 5.961 5.405 1.00 4.21 H new ATOM 543 N PHE A 35 5.962 3.048 5.152 1.00 53.12 N ATOM 544 CA PHE A 35 5.413 1.780 4.678 1.00 71.30 C ATOM 545 C PHE A 35 6.070 0.608 5.403 1.00 20.21 C ATOM 546 O PHE A 35 5.398 -0.196 6.048 1.00 61.23 O ATOM 547 CB PHE A 35 5.615 1.653 3.156 1.00 43.42 C ATOM 548 CG PHE A 35 5.328 0.274 2.609 1.00 43.42 C ATOM 549 CD1 PHE A 35 4.027 -0.133 2.350 1.00 42.04 C ATOM 550 CD2 PHE A 35 6.365 -0.619 2.362 1.00 52.40 C ATOM 551 CE1 PHE A 35 3.768 -1.398 1.858 1.00 73.13 C ATOM 552 CE2 PHE A 35 6.109 -1.883 1.868 1.00 32.22 C ATOM 553 CZ PHE A 35 4.809 -2.274 1.617 1.00 42.12 C ATOM 0 H PHE A 35 6.421 3.600 4.427 1.00 53.12 H new ATOM 0 HA PHE A 35 4.345 1.760 4.893 1.00 71.30 H new ATOM 0 HB2 PHE A 35 4.970 2.373 2.653 1.00 43.42 H new ATOM 0 HB3 PHE A 35 6.643 1.922 2.913 1.00 43.42 H new ATOM 0 HD1 PHE A 35 3.208 0.546 2.535 1.00 42.04 H new ATOM 0 HD2 PHE A 35 7.384 -0.320 2.559 1.00 52.40 H new ATOM 0 HE1 PHE A 35 2.751 -1.702 1.662 1.00 73.13 H new ATOM 0 HE2 PHE A 35 6.925 -2.565 1.678 1.00 32.22 H new ATOM 0 HZ PHE A 35 4.606 -3.263 1.233 1.00 42.12 H new ATOM 563 N LYS A 36 7.393 0.538 5.314 1.00 21.14 N ATOM 564 CA LYS A 36 8.147 -0.580 5.872 1.00 45.25 C ATOM 565 C LYS A 36 8.102 -0.568 7.400 1.00 3.51 C ATOM 566 O LYS A 36 8.366 -1.587 8.041 1.00 51.22 O ATOM 567 CB LYS A 36 9.595 -0.549 5.363 1.00 64.21 C ATOM 568 CG LYS A 36 10.369 0.703 5.760 1.00 61.32 C ATOM 569 CD LYS A 36 11.696 0.815 5.012 1.00 53.15 C ATOM 570 CE LYS A 36 12.628 -0.358 5.306 1.00 72.11 C ATOM 571 NZ LYS A 36 13.008 -0.423 6.744 1.00 20.33 N ATOM 0 H LYS A 36 7.969 1.246 4.858 1.00 21.14 H new ATOM 0 HA LYS A 36 7.683 -1.508 5.538 1.00 45.25 H new ATOM 0 HB2 LYS A 36 10.121 -1.424 5.744 1.00 64.21 H new ATOM 0 HB3 LYS A 36 9.588 -0.629 4.276 1.00 64.21 H new ATOM 0 HG2 LYS A 36 9.762 1.585 5.556 1.00 61.32 H new ATOM 0 HG3 LYS A 36 10.558 0.688 6.833 1.00 61.32 H new ATOM 0 HD2 LYS A 36 11.503 0.863 3.940 1.00 53.15 H new ATOM 0 HD3 LYS A 36 12.189 1.747 5.289 1.00 53.15 H new ATOM 0 HE2 LYS A 36 12.140 -1.289 5.018 1.00 72.11 H new ATOM 0 HE3 LYS A 36 13.528 -0.267 4.697 1.00 72.11 H new ATOM 0 HZ1 LYS A 36 13.744 -1.146 6.876 1.00 20.33 H new ATOM 0 HZ2 LYS A 36 13.373 0.502 7.049 1.00 20.33 H new ATOM 0 HZ3 LYS A 36 12.173 -0.670 7.313 1.00 20.33 H new ATOM 585 N ALA A 37 7.776 0.585 7.978 1.00 72.33 N ATOM 586 CA ALA A 37 7.637 0.707 9.428 1.00 34.12 C ATOM 587 C ALA A 37 6.314 0.102 9.894 1.00 65.44 C ATOM 588 O ALA A 37 6.250 -0.548 10.939 1.00 22.40 O ATOM 589 CB ALA A 37 7.732 2.169 9.854 1.00 72.42 C ATOM 0 H ALA A 37 7.603 1.449 7.465 1.00 72.33 H new ATOM 0 HA ALA A 37 8.452 0.156 9.897 1.00 34.12 H new ATOM 0 HB1 ALA A 37 7.626 2.240 10.937 1.00 72.42 H new ATOM 0 HB2 ALA A 37 8.700 2.572 9.557 1.00 72.42 H new ATOM 0 HB3 ALA A 37 6.938 2.740 9.374 1.00 72.42 H new ATOM 595 N ARG A 38 5.259 0.319 9.110 1.00 2.10 N ATOM 596 CA ARG A 38 3.916 -0.157 9.459 1.00 13.42 C ATOM 597 C ARG A 38 3.626 -1.518 8.819 1.00 42.14 C ATOM 598 O ARG A 38 2.609 -2.150 9.118 1.00 42.14 O ATOM 599 CB ARG A 38 2.863 0.868 9.007 1.00 33.42 C ATOM 600 CG ARG A 38 3.052 2.271 9.586 1.00 13.01 C ATOM 601 CD ARG A 38 2.777 2.345 11.088 1.00 64.45 C ATOM 602 NE ARG A 38 3.771 1.622 11.891 1.00 63.45 N ATOM 603 CZ ARG A 38 4.823 2.194 12.481 1.00 40.24 C ATOM 604 NH1 ARG A 38 5.075 3.487 12.308 1.00 14.13 N ATOM 605 NH2 ARG A 38 5.628 1.461 13.238 1.00 62.04 N ATOM 0 H ARG A 38 5.306 0.823 8.225 1.00 2.10 H new ATOM 0 HA ARG A 38 3.869 -0.274 10.542 1.00 13.42 H new ATOM 0 HB2 ARG A 38 2.881 0.933 7.919 1.00 33.42 H new ATOM 0 HB3 ARG A 38 1.875 0.503 9.288 1.00 33.42 H new ATOM 0 HG2 ARG A 38 4.072 2.602 9.393 1.00 13.01 H new ATOM 0 HG3 ARG A 38 2.389 2.963 9.067 1.00 13.01 H new ATOM 0 HD2 ARG A 38 2.759 3.390 11.397 1.00 64.45 H new ATOM 0 HD3 ARG A 38 1.787 1.936 11.291 1.00 64.45 H new ATOM 0 HE ARG A 38 3.650 0.616 12.006 1.00 63.45 H new ATOM 0 HH11 ARG A 38 4.462 4.052 11.720 1.00 14.13 H new ATOM 0 HH12 ARG A 38 5.881 3.915 12.763 1.00 14.13 H new ATOM 0 HH21 ARG A 38 5.442 0.466 13.367 1.00 62.04 H new ATOM 0 HH22 ARG A 38 6.434 1.892 13.692 1.00 62.04 H new ATOM 619 N TYR A 39 4.522 -1.959 7.942 1.00 2.44 N ATOM 620 CA TYR A 39 4.356 -3.222 7.222 1.00 43.13 C ATOM 621 C TYR A 39 4.371 -4.415 8.183 1.00 23.33 C ATOM 622 O TYR A 39 5.004 -4.364 9.242 1.00 13.33 O ATOM 623 CB TYR A 39 5.465 -3.369 6.166 1.00 42.32 C ATOM 624 CG TYR A 39 5.325 -4.589 5.271 1.00 42.44 C ATOM 625 CD1 TYR A 39 4.367 -4.627 4.261 1.00 60.40 C ATOM 626 CD2 TYR A 39 6.149 -5.699 5.435 1.00 64.44 C ATOM 627 CE1 TYR A 39 4.234 -5.733 3.443 1.00 4.14 C ATOM 628 CE2 TYR A 39 6.020 -6.808 4.621 1.00 52.11 C ATOM 629 CZ TYR A 39 5.064 -6.820 3.628 1.00 22.22 C ATOM 630 OH TYR A 39 4.932 -7.925 2.817 1.00 15.20 O ATOM 0 H TYR A 39 5.379 -1.457 7.710 1.00 2.44 H new ATOM 0 HA TYR A 39 3.386 -3.209 6.725 1.00 43.13 H new ATOM 0 HB2 TYR A 39 5.476 -2.475 5.542 1.00 42.32 H new ATOM 0 HB3 TYR A 39 6.429 -3.415 6.673 1.00 42.32 H new ATOM 0 HD1 TYR A 39 3.717 -3.777 4.114 1.00 60.40 H new ATOM 0 HD2 TYR A 39 6.901 -5.693 6.210 1.00 64.44 H new ATOM 0 HE1 TYR A 39 3.486 -5.747 2.664 1.00 4.14 H new ATOM 0 HE2 TYR A 39 6.666 -7.662 4.762 1.00 52.11 H new ATOM 0 HH TYR A 39 5.591 -8.602 3.077 1.00 15.20 H new ATOM 640 N SER A 40 3.669 -5.481 7.805 1.00 0.22 N ATOM 641 CA SER A 40 3.613 -6.699 8.601 1.00 14.15 C ATOM 642 C SER A 40 3.342 -7.899 7.694 1.00 61.41 C ATOM 643 O SER A 40 2.922 -7.731 6.544 1.00 64.31 O ATOM 644 CB SER A 40 2.530 -6.583 9.682 1.00 4.23 C ATOM 645 OG SER A 40 2.577 -7.688 10.568 1.00 2.35 O ATOM 0 H SER A 40 3.126 -5.522 6.942 1.00 0.22 H new ATOM 0 HA SER A 40 4.573 -6.843 9.096 1.00 14.15 H new ATOM 0 HB2 SER A 40 2.667 -5.658 10.241 1.00 4.23 H new ATOM 0 HB3 SER A 40 1.547 -6.530 9.213 1.00 4.23 H new ATOM 0 HG SER A 40 1.879 -7.591 11.249 1.00 2.35 H new ATOM 651 N ASP A 41 3.567 -9.102 8.219 1.00 61.32 N ATOM 652 CA ASP A 41 3.460 -10.336 7.433 1.00 42.21 C ATOM 653 C ASP A 41 2.035 -10.565 6.940 1.00 0.02 C ATOM 654 O ASP A 41 1.828 -11.083 5.841 1.00 42.34 O ATOM 655 CB ASP A 41 3.913 -11.547 8.258 1.00 4.25 C ATOM 656 CG ASP A 41 5.363 -11.455 8.699 1.00 52.24 C ATOM 657 OD1 ASP A 41 5.625 -10.869 9.771 1.00 53.42 O ATOM 658 OD2 ASP A 41 6.247 -11.975 7.984 1.00 23.01 O ATOM 0 H ASP A 41 3.827 -9.252 9.194 1.00 61.32 H new ATOM 0 HA ASP A 41 4.113 -10.222 6.568 1.00 42.21 H new ATOM 0 HB2 ASP A 41 3.276 -11.639 9.138 1.00 4.25 H new ATOM 0 HB3 ASP A 41 3.775 -12.453 7.669 1.00 4.25 H new ATOM 663 N ILE A 42 1.058 -10.181 7.758 1.00 74.43 N ATOM 664 CA ILE A 42 -0.354 -10.352 7.415 1.00 3.10 C ATOM 665 C ILE A 42 -0.673 -9.715 6.057 1.00 73.53 C ATOM 666 O ILE A 42 -1.489 -10.226 5.294 1.00 24.03 O ATOM 667 CB ILE A 42 -1.278 -9.742 8.505 1.00 33.41 C ATOM 668 CG1 ILE A 42 -2.762 -9.984 8.166 1.00 20.20 C ATOM 669 CG2 ILE A 42 -1.004 -8.248 8.680 1.00 15.41 C ATOM 670 CD1 ILE A 42 -3.147 -11.449 8.082 1.00 33.04 C ATOM 0 H ILE A 42 1.218 -9.747 8.667 1.00 74.43 H new ATOM 0 HA ILE A 42 -0.542 -11.424 7.357 1.00 3.10 H new ATOM 0 HB ILE A 42 -1.057 -10.242 9.448 1.00 33.41 H new ATOM 0 HG12 ILE A 42 -3.380 -9.500 8.922 1.00 20.20 H new ATOM 0 HG13 ILE A 42 -2.989 -9.505 7.214 1.00 20.20 H new ATOM 0 HG21 ILE A 42 -1.664 -7.845 9.448 1.00 15.41 H new ATOM 0 HG22 ILE A 42 0.034 -8.101 8.979 1.00 15.41 H new ATOM 0 HG23 ILE A 42 -1.187 -7.732 7.738 1.00 15.41 H new ATOM 0 HD11 ILE A 42 -4.206 -11.533 7.840 1.00 33.04 H new ATOM 0 HD12 ILE A 42 -2.557 -11.936 7.306 1.00 33.04 H new ATOM 0 HD13 ILE A 42 -2.954 -11.931 9.040 1.00 33.04 H new ATOM 682 N LEU A 43 0.014 -8.625 5.748 1.00 20.30 N ATOM 683 CA LEU A 43 -0.252 -7.857 4.535 1.00 21.22 C ATOM 684 C LEU A 43 0.085 -8.659 3.270 1.00 75.25 C ATOM 685 O LEU A 43 -0.424 -8.370 2.186 1.00 50.54 O ATOM 686 CB LEU A 43 0.544 -6.548 4.571 1.00 44.25 C ATOM 687 CG LEU A 43 0.171 -5.581 5.713 1.00 61.31 C ATOM 688 CD1 LEU A 43 1.048 -4.334 5.673 1.00 62.04 C ATOM 689 CD2 LEU A 43 -1.305 -5.195 5.638 1.00 65.12 C ATOM 0 H LEU A 43 0.766 -8.248 6.324 1.00 20.30 H new ATOM 0 HA LEU A 43 -1.318 -7.632 4.500 1.00 21.22 H new ATOM 0 HB2 LEU A 43 1.604 -6.789 4.653 1.00 44.25 H new ATOM 0 HB3 LEU A 43 0.406 -6.032 3.621 1.00 44.25 H new ATOM 0 HG LEU A 43 0.344 -6.095 6.659 1.00 61.31 H new ATOM 0 HD11 LEU A 43 0.768 -3.666 6.487 1.00 62.04 H new ATOM 0 HD12 LEU A 43 2.094 -4.621 5.783 1.00 62.04 H new ATOM 0 HD13 LEU A 43 0.910 -3.823 4.720 1.00 62.04 H new ATOM 0 HD21 LEU A 43 -1.545 -4.513 6.453 1.00 65.12 H new ATOM 0 HD22 LEU A 43 -1.505 -4.706 4.685 1.00 65.12 H new ATOM 0 HD23 LEU A 43 -1.920 -6.091 5.722 1.00 65.12 H new ATOM 701 N ASN A 44 0.919 -9.684 3.425 1.00 64.12 N ATOM 702 CA ASN A 44 1.373 -10.496 2.293 1.00 33.20 C ATOM 703 C ASN A 44 0.213 -11.236 1.625 1.00 24.01 C ATOM 704 O ASN A 44 0.277 -11.556 0.439 1.00 4.14 O ATOM 705 CB ASN A 44 2.447 -11.499 2.755 1.00 54.13 C ATOM 706 CG ASN A 44 2.872 -12.460 1.651 1.00 12.20 C ATOM 707 OD1 ASN A 44 3.768 -12.160 0.861 1.00 35.34 O ATOM 708 ND2 ASN A 44 2.242 -13.626 1.601 1.00 74.31 N ATOM 0 H ASN A 44 1.297 -9.975 4.327 1.00 64.12 H new ATOM 0 HA ASN A 44 1.804 -9.821 1.554 1.00 33.20 H new ATOM 0 HB2 ASN A 44 3.320 -10.951 3.110 1.00 54.13 H new ATOM 0 HB3 ASN A 44 2.064 -12.071 3.600 1.00 54.13 H new ATOM 0 HD21 ASN A 44 2.495 -14.312 0.890 1.00 74.31 H new ATOM 0 HD22 ASN A 44 1.505 -13.837 2.274 1.00 74.31 H new ATOM 715 N LYS A 45 -0.857 -11.491 2.380 1.00 25.24 N ATOM 716 CA LYS A 45 -1.991 -12.261 1.865 1.00 74.11 C ATOM 717 C LYS A 45 -2.841 -11.425 0.907 1.00 13.03 C ATOM 718 O LYS A 45 -3.695 -11.958 0.196 1.00 71.34 O ATOM 719 CB LYS A 45 -2.841 -12.808 3.031 1.00 74.12 C ATOM 720 CG LYS A 45 -3.552 -11.742 3.873 1.00 40.31 C ATOM 721 CD LYS A 45 -4.955 -11.411 3.351 1.00 21.51 C ATOM 722 CE LYS A 45 -5.949 -12.550 3.588 1.00 13.02 C ATOM 723 NZ LYS A 45 -6.241 -12.745 5.034 1.00 31.15 N ATOM 0 H LYS A 45 -0.962 -11.178 3.345 1.00 25.24 H new ATOM 0 HA LYS A 45 -1.600 -13.106 1.299 1.00 74.11 H new ATOM 0 HB2 LYS A 45 -3.590 -13.488 2.626 1.00 74.12 H new ATOM 0 HB3 LYS A 45 -2.197 -13.396 3.685 1.00 74.12 H new ATOM 0 HG2 LYS A 45 -3.625 -12.089 4.904 1.00 40.31 H new ATOM 0 HG3 LYS A 45 -2.950 -10.833 3.885 1.00 40.31 H new ATOM 0 HD2 LYS A 45 -5.318 -10.508 3.841 1.00 21.51 H new ATOM 0 HD3 LYS A 45 -4.901 -11.195 2.284 1.00 21.51 H new ATOM 0 HE2 LYS A 45 -6.877 -12.338 3.057 1.00 13.02 H new ATOM 0 HE3 LYS A 45 -5.547 -13.474 3.172 1.00 13.02 H new ATOM 0 HZ1 LYS A 45 -7.060 -13.378 5.141 1.00 31.15 H new ATOM 0 HZ2 LYS A 45 -5.414 -13.168 5.501 1.00 31.15 H new ATOM 0 HZ3 LYS A 45 -6.454 -11.826 5.472 1.00 31.15 H new ATOM 737 N TYR A 46 -2.605 -10.114 0.895 1.00 20.35 N ATOM 738 CA TYR A 46 -3.359 -9.203 0.034 1.00 13.23 C ATOM 739 C TYR A 46 -2.651 -9.033 -1.308 1.00 11.24 C ATOM 740 O TYR A 46 -3.277 -9.117 -2.365 1.00 44.23 O ATOM 741 CB TYR A 46 -3.525 -7.832 0.711 1.00 73.33 C ATOM 742 CG TYR A 46 -4.282 -7.880 2.026 1.00 62.24 C ATOM 743 CD1 TYR A 46 -5.671 -7.950 2.050 1.00 10.03 C ATOM 744 CD2 TYR A 46 -3.608 -7.848 3.243 1.00 1.13 C ATOM 745 CE1 TYR A 46 -6.364 -7.987 3.246 1.00 54.31 C ATOM 746 CE2 TYR A 46 -4.294 -7.887 4.441 1.00 4.22 C ATOM 747 CZ TYR A 46 -5.670 -7.957 4.438 1.00 62.25 C ATOM 748 OH TYR A 46 -6.357 -7.995 5.631 1.00 40.03 O ATOM 0 H TYR A 46 -1.898 -9.658 1.472 1.00 20.35 H new ATOM 0 HA TYR A 46 -4.346 -9.633 -0.136 1.00 13.23 H new ATOM 0 HB2 TYR A 46 -2.538 -7.403 0.887 1.00 73.33 H new ATOM 0 HB3 TYR A 46 -4.046 -7.162 0.028 1.00 73.33 H new ATOM 0 HD1 TYR A 46 -6.217 -7.976 1.119 1.00 10.03 H new ATOM 0 HD2 TYR A 46 -2.529 -7.792 3.251 1.00 1.13 H new ATOM 0 HE1 TYR A 46 -7.443 -8.039 3.247 1.00 54.31 H new ATOM 0 HE2 TYR A 46 -3.754 -7.863 5.376 1.00 4.22 H new ATOM 0 HH TYR A 46 -5.721 -7.967 6.376 1.00 40.03 H new ATOM 758 N ASP A 47 -1.337 -8.792 -1.237 1.00 4.31 N ATOM 759 CA ASP A 47 -0.500 -8.506 -2.412 1.00 13.31 C ATOM 760 C ASP A 47 -0.803 -7.120 -2.987 1.00 21.03 C ATOM 761 O ASP A 47 -0.212 -6.706 -3.988 1.00 61.34 O ATOM 762 CB ASP A 47 -0.634 -9.590 -3.499 1.00 72.51 C ATOM 763 CG ASP A 47 0.036 -10.904 -3.113 1.00 22.44 C ATOM 764 OD1 ASP A 47 1.231 -10.883 -2.743 1.00 43.04 O ATOM 765 OD2 ASP A 47 -0.625 -11.966 -3.186 1.00 63.55 O ATOM 0 H ASP A 47 -0.819 -8.789 -0.358 1.00 4.31 H new ATOM 0 HA ASP A 47 0.535 -8.515 -2.070 1.00 13.31 H new ATOM 0 HB2 ASP A 47 -1.691 -9.771 -3.696 1.00 72.51 H new ATOM 0 HB3 ASP A 47 -0.195 -9.223 -4.427 1.00 72.51 H new ATOM 770 N TYR A 48 -1.719 -6.408 -2.338 1.00 73.32 N ATOM 771 CA TYR A 48 -2.028 -5.023 -2.672 1.00 72.42 C ATOM 772 C TYR A 48 -2.103 -4.212 -1.385 1.00 61.34 C ATOM 773 O TYR A 48 -2.983 -4.445 -0.550 1.00 5.24 O ATOM 774 CB TYR A 48 -3.360 -4.927 -3.433 1.00 61.23 C ATOM 775 CG TYR A 48 -3.311 -5.489 -4.844 1.00 42.10 C ATOM 776 CD1 TYR A 48 -3.546 -6.838 -5.092 1.00 5.04 C ATOM 777 CD2 TYR A 48 -3.025 -4.663 -5.927 1.00 64.01 C ATOM 778 CE1 TYR A 48 -3.497 -7.345 -6.378 1.00 0.02 C ATOM 779 CE2 TYR A 48 -2.975 -5.163 -7.212 1.00 61.21 C ATOM 780 CZ TYR A 48 -3.210 -6.503 -7.434 1.00 73.14 C ATOM 781 OH TYR A 48 -3.152 -7.004 -8.716 1.00 71.35 O ATOM 0 H TYR A 48 -2.270 -6.777 -1.563 1.00 73.32 H new ATOM 0 HA TYR A 48 -1.244 -4.627 -3.317 1.00 72.42 H new ATOM 0 HB2 TYR A 48 -4.127 -5.457 -2.869 1.00 61.23 H new ATOM 0 HB3 TYR A 48 -3.664 -3.881 -3.480 1.00 61.23 H new ATOM 0 HD1 TYR A 48 -3.770 -7.499 -4.268 1.00 5.04 H new ATOM 0 HD2 TYR A 48 -2.839 -3.613 -5.759 1.00 64.01 H new ATOM 0 HE1 TYR A 48 -3.682 -8.394 -6.555 1.00 0.02 H new ATOM 0 HE2 TYR A 48 -2.753 -4.507 -8.041 1.00 61.21 H new ATOM 0 HH TYR A 48 -3.413 -6.306 -9.352 1.00 71.35 H new ATOM 791 N ILE A 49 -1.176 -3.272 -1.221 1.00 14.02 N ATOM 792 CA ILE A 49 -1.089 -2.480 0.004 1.00 33.11 C ATOM 793 C ILE A 49 -1.308 -1.008 -0.309 1.00 53.04 C ATOM 794 O ILE A 49 -0.553 -0.411 -1.077 1.00 21.24 O ATOM 795 CB ILE A 49 0.286 -2.645 0.701 1.00 12.42 C ATOM 796 CG1 ILE A 49 0.661 -4.134 0.824 1.00 4.32 C ATOM 797 CG2 ILE A 49 0.271 -1.976 2.080 1.00 60.13 C ATOM 798 CD1 ILE A 49 -0.350 -4.966 1.587 1.00 33.33 C ATOM 0 H ILE A 49 -0.473 -3.039 -1.922 1.00 14.02 H new ATOM 0 HA ILE A 49 -1.864 -2.843 0.679 1.00 33.11 H new ATOM 0 HB ILE A 49 1.042 -2.155 0.088 1.00 12.42 H new ATOM 0 HG12 ILE A 49 0.779 -4.552 -0.176 1.00 4.32 H new ATOM 0 HG13 ILE A 49 1.629 -4.214 1.319 1.00 4.32 H new ATOM 0 HG21 ILE A 49 1.244 -2.101 2.556 1.00 60.13 H new ATOM 0 HG22 ILE A 49 0.057 -0.913 1.967 1.00 60.13 H new ATOM 0 HG23 ILE A 49 -0.498 -2.437 2.700 1.00 60.13 H new ATOM 0 HD11 ILE A 49 -0.012 -6.001 1.629 1.00 33.33 H new ATOM 0 HD12 ILE A 49 -0.451 -4.576 2.600 1.00 33.33 H new ATOM 0 HD13 ILE A 49 -1.315 -4.919 1.082 1.00 33.33 H new ATOM 810 N VAL A 50 -2.342 -0.431 0.282 1.00 23.20 N ATOM 811 CA VAL A 50 -2.655 0.977 0.086 1.00 53.53 C ATOM 812 C VAL A 50 -2.547 1.731 1.406 1.00 20.14 C ATOM 813 O VAL A 50 -3.383 1.566 2.295 1.00 61.23 O ATOM 814 CB VAL A 50 -4.073 1.170 -0.500 1.00 21.44 C ATOM 815 CG1 VAL A 50 -4.347 2.647 -0.779 1.00 14.25 C ATOM 816 CG2 VAL A 50 -4.254 0.328 -1.763 1.00 4.23 C ATOM 0 H VAL A 50 -2.984 -0.920 0.906 1.00 23.20 H new ATOM 0 HA VAL A 50 -1.932 1.375 -0.626 1.00 53.53 H new ATOM 0 HB VAL A 50 -4.799 0.829 0.238 1.00 21.44 H new ATOM 0 HG11 VAL A 50 -5.350 2.760 -1.191 1.00 14.25 H new ATOM 0 HG12 VAL A 50 -4.270 3.213 0.149 1.00 14.25 H new ATOM 0 HG13 VAL A 50 -3.617 3.024 -1.495 1.00 14.25 H new ATOM 0 HG21 VAL A 50 -5.258 0.478 -2.160 1.00 4.23 H new ATOM 0 HG22 VAL A 50 -3.520 0.630 -2.510 1.00 4.23 H new ATOM 0 HG23 VAL A 50 -4.113 -0.725 -1.521 1.00 4.23 H new ATOM 826 N GLY A 51 -1.500 2.534 1.540 1.00 65.41 N ATOM 827 CA GLY A 51 -1.336 3.346 2.729 1.00 51.51 C ATOM 828 C GLY A 51 -2.002 4.693 2.568 1.00 74.52 C ATOM 829 O GLY A 51 -1.673 5.435 1.639 1.00 64.43 O ATOM 0 H GLY A 51 -0.760 2.637 0.845 1.00 65.41 H new ATOM 0 HA2 GLY A 51 -1.762 2.827 3.588 1.00 51.51 H new ATOM 0 HA3 GLY A 51 -0.274 3.485 2.934 1.00 51.51 H new ATOM 833 N ASP A 52 -2.942 5.011 3.452 1.00 60.21 N ATOM 834 CA ASP A 52 -3.686 6.263 3.355 1.00 71.30 C ATOM 835 C ASP A 52 -3.240 7.250 4.429 1.00 61.14 C ATOM 836 O ASP A 52 -2.639 6.868 5.433 1.00 62.41 O ATOM 837 CB ASP A 52 -5.208 6.019 3.458 1.00 44.11 C ATOM 838 CG ASP A 52 -5.693 5.773 4.885 1.00 62.32 C ATOM 839 OD1 ASP A 52 -5.646 4.611 5.346 1.00 51.32 O ATOM 840 OD2 ASP A 52 -6.144 6.742 5.542 1.00 43.51 O ATOM 0 H ASP A 52 -3.207 4.422 4.241 1.00 60.21 H new ATOM 0 HA ASP A 52 -3.472 6.694 2.377 1.00 71.30 H new ATOM 0 HB2 ASP A 52 -5.734 6.881 3.048 1.00 44.11 H new ATOM 0 HB3 ASP A 52 -5.472 5.161 2.840 1.00 44.11 H new ATOM 845 N TRP A 53 -3.518 8.524 4.173 1.00 24.34 N ATOM 846 CA TRP A 53 -3.269 9.612 5.117 1.00 63.13 C ATOM 847 C TRP A 53 -4.580 10.353 5.369 1.00 14.32 C ATOM 848 O TRP A 53 -4.578 11.551 5.658 1.00 12.54 O ATOM 849 CB TRP A 53 -2.236 10.600 4.550 1.00 22.21 C ATOM 850 CG TRP A 53 -0.853 10.041 4.374 1.00 12.13 C ATOM 851 CD1 TRP A 53 -0.417 9.228 3.368 1.00 12.35 C ATOM 852 CD2 TRP A 53 0.281 10.287 5.213 1.00 62.01 C ATOM 853 NE1 TRP A 53 0.916 8.950 3.536 1.00 53.52 N ATOM 854 CE2 TRP A 53 1.367 9.584 4.662 1.00 74.12 C ATOM 855 CE3 TRP A 53 0.482 11.032 6.384 1.00 32.02 C ATOM 856 CZ2 TRP A 53 2.635 9.606 5.236 1.00 71.52 C ATOM 857 CZ3 TRP A 53 1.741 11.048 6.954 1.00 62.13 C ATOM 858 CH2 TRP A 53 2.804 10.339 6.379 1.00 65.33 C ATOM 0 H TRP A 53 -3.928 8.836 3.293 1.00 24.34 H new ATOM 0 HA TRP A 53 -2.879 9.193 6.045 1.00 63.13 H new ATOM 0 HB2 TRP A 53 -2.592 10.960 3.585 1.00 22.21 H new ATOM 0 HB3 TRP A 53 -2.181 11.464 5.212 1.00 22.21 H new ATOM 0 HD1 TRP A 53 -1.030 8.858 2.560 1.00 12.35 H new ATOM 0 HE1 TRP A 53 1.480 8.365 2.920 1.00 53.52 H new ATOM 0 HE3 TRP A 53 -0.332 11.583 6.832 1.00 32.02 H new ATOM 0 HZ2 TRP A 53 3.457 9.063 4.794 1.00 71.52 H new ATOM 0 HZ3 TRP A 53 1.908 11.616 7.857 1.00 62.13 H new ATOM 0 HH2 TRP A 53 3.777 10.372 6.847 1.00 65.33 H new ATOM 869 N GLY A 54 -5.688 9.608 5.290 1.00 3.24 N ATOM 870 CA GLY A 54 -7.031 10.185 5.293 1.00 1.22 C ATOM 871 C GLY A 54 -7.208 11.375 6.224 1.00 21.12 C ATOM 872 O GLY A 54 -7.651 12.442 5.801 1.00 0.14 O ATOM 0 H GLY A 54 -5.676 8.590 5.222 1.00 3.24 H new ATOM 0 HA2 GLY A 54 -7.281 10.494 4.278 1.00 1.22 H new ATOM 0 HA3 GLY A 54 -7.744 9.411 5.575 1.00 1.22 H new ATOM 876 N TYR A 55 -6.867 11.192 7.495 1.00 35.22 N ATOM 877 CA TYR A 55 -6.994 12.259 8.486 1.00 0.13 C ATOM 878 C TYR A 55 -5.655 12.521 9.173 1.00 14.42 C ATOM 879 O TYR A 55 -5.601 12.817 10.369 1.00 63.43 O ATOM 880 CB TYR A 55 -8.073 11.894 9.519 1.00 33.12 C ATOM 881 CG TYR A 55 -9.470 11.794 8.933 1.00 34.03 C ATOM 882 CD1 TYR A 55 -10.031 12.867 8.247 1.00 40.05 C ATOM 883 CD2 TYR A 55 -10.231 10.638 9.076 1.00 53.11 C ATOM 884 CE1 TYR A 55 -11.305 12.791 7.724 1.00 20.21 C ATOM 885 CE2 TYR A 55 -11.507 10.555 8.550 1.00 3.31 C ATOM 886 CZ TYR A 55 -12.039 11.636 7.875 1.00 24.24 C ATOM 887 OH TYR A 55 -13.313 11.563 7.358 1.00 63.11 O ATOM 0 H TYR A 55 -6.500 10.315 7.865 1.00 35.22 H new ATOM 0 HA TYR A 55 -7.295 13.174 7.976 1.00 0.13 H new ATOM 0 HB2 TYR A 55 -7.813 10.942 9.981 1.00 33.12 H new ATOM 0 HB3 TYR A 55 -8.074 12.643 10.311 1.00 33.12 H new ATOM 0 HD1 TYR A 55 -9.459 13.775 8.122 1.00 40.05 H new ATOM 0 HD2 TYR A 55 -9.819 9.792 9.606 1.00 53.11 H new ATOM 0 HE1 TYR A 55 -11.726 13.635 7.198 1.00 20.21 H new ATOM 0 HE2 TYR A 55 -12.084 9.650 8.666 1.00 3.31 H new ATOM 0 HH TYR A 55 -13.694 10.680 7.549 1.00 63.11 H new ATOM 897 N GLY A 56 -4.577 12.437 8.399 1.00 55.44 N ATOM 898 CA GLY A 56 -3.242 12.661 8.935 1.00 22.35 C ATOM 899 C GLY A 56 -2.705 11.437 9.644 1.00 31.31 C ATOM 900 O GLY A 56 -1.803 11.531 10.476 1.00 1.24 O ATOM 0 H GLY A 56 -4.603 12.216 7.403 1.00 55.44 H new ATOM 0 HA2 GLY A 56 -2.567 12.936 8.125 1.00 22.35 H new ATOM 0 HA3 GLY A 56 -3.266 13.501 9.629 1.00 22.35 H new ATOM 904 N GLN A 57 -3.265 10.282 9.305 1.00 35.53 N ATOM 905 CA GLN A 57 -2.867 9.013 9.900 1.00 30.05 C ATOM 906 C GLN A 57 -2.382 8.065 8.816 1.00 21.11 C ATOM 907 O GLN A 57 -3.160 7.666 7.954 1.00 41.21 O ATOM 908 CB GLN A 57 -4.046 8.379 10.656 1.00 33.01 C ATOM 909 CG GLN A 57 -4.475 9.160 11.891 1.00 55.21 C ATOM 910 CD GLN A 57 -3.402 9.196 12.968 1.00 10.42 C ATOM 911 OE1 GLN A 57 -2.584 8.281 13.082 1.00 41.32 O ATOM 912 NE2 GLN A 57 -3.402 10.247 13.772 1.00 40.31 N ATOM 0 H GLN A 57 -4.007 10.199 8.610 1.00 35.53 H new ATOM 0 HA GLN A 57 -2.058 9.198 10.607 1.00 30.05 H new ATOM 0 HB2 GLN A 57 -4.896 8.293 9.979 1.00 33.01 H new ATOM 0 HB3 GLN A 57 -3.772 7.367 10.954 1.00 33.01 H new ATOM 0 HG2 GLN A 57 -4.726 10.180 11.601 1.00 55.21 H new ATOM 0 HG3 GLN A 57 -5.380 8.713 12.301 1.00 55.21 H new ATOM 0 HE21 GLN A 57 -4.095 10.985 13.647 1.00 40.31 H new ATOM 0 HE22 GLN A 57 -2.709 10.319 14.517 1.00 40.31 H new ATOM 921 N LEU A 58 -1.101 7.721 8.854 1.00 42.31 N ATOM 922 CA LEU A 58 -0.533 6.802 7.873 1.00 32.00 C ATOM 923 C LEU A 58 -0.809 5.365 8.306 1.00 33.12 C ATOM 924 O LEU A 58 -0.205 4.867 9.259 1.00 4.13 O ATOM 925 CB LEU A 58 0.983 7.053 7.700 1.00 64.43 C ATOM 926 CG LEU A 58 1.701 6.226 6.600 1.00 32.45 C ATOM 927 CD1 LEU A 58 2.044 4.814 7.076 1.00 11.32 C ATOM 928 CD2 LEU A 58 0.854 6.167 5.328 1.00 21.50 C ATOM 0 H LEU A 58 -0.437 8.062 9.550 1.00 42.31 H new ATOM 0 HA LEU A 58 -1.004 6.974 6.905 1.00 32.00 H new ATOM 0 HB2 LEU A 58 1.131 8.111 7.483 1.00 64.43 H new ATOM 0 HB3 LEU A 58 1.473 6.852 8.653 1.00 64.43 H new ATOM 0 HG LEU A 58 2.639 6.734 6.377 1.00 32.45 H new ATOM 0 HD11 LEU A 58 2.545 4.271 6.274 1.00 11.32 H new ATOM 0 HD12 LEU A 58 2.703 4.872 7.942 1.00 11.32 H new ATOM 0 HD13 LEU A 58 1.128 4.290 7.351 1.00 11.32 H new ATOM 0 HD21 LEU A 58 1.376 5.583 4.570 1.00 21.50 H new ATOM 0 HD22 LEU A 58 -0.105 5.699 5.551 1.00 21.50 H new ATOM 0 HD23 LEU A 58 0.686 7.177 4.955 1.00 21.50 H new ATOM 940 N ARG A 59 -1.744 4.718 7.621 1.00 43.03 N ATOM 941 CA ARG A 59 -2.082 3.326 7.899 1.00 12.40 C ATOM 942 C ARG A 59 -2.108 2.525 6.607 1.00 63.41 C ATOM 943 O ARG A 59 -2.437 3.057 5.549 1.00 54.41 O ATOM 944 CB ARG A 59 -3.436 3.224 8.614 1.00 22.34 C ATOM 945 CG ARG A 59 -3.469 3.932 9.964 1.00 53.51 C ATOM 946 CD ARG A 59 -4.763 3.650 10.717 1.00 4.22 C ATOM 947 NE ARG A 59 -4.942 2.218 10.977 1.00 31.11 N ATOM 948 CZ ARG A 59 -5.447 1.716 12.104 1.00 34.40 C ATOM 949 NH1 ARG A 59 -5.849 2.526 13.076 1.00 41.53 N ATOM 950 NH2 ARG A 59 -5.550 0.402 12.258 1.00 30.01 N ATOM 0 H ARG A 59 -2.285 5.137 6.865 1.00 43.03 H new ATOM 0 HA ARG A 59 -1.317 2.913 8.557 1.00 12.40 H new ATOM 0 HB2 ARG A 59 -4.209 3.647 7.972 1.00 22.34 H new ATOM 0 HB3 ARG A 59 -3.683 2.172 8.759 1.00 22.34 H new ATOM 0 HG2 ARG A 59 -2.620 3.608 10.566 1.00 53.51 H new ATOM 0 HG3 ARG A 59 -3.362 5.006 9.814 1.00 53.51 H new ATOM 0 HD2 ARG A 59 -4.759 4.193 11.662 1.00 4.22 H new ATOM 0 HD3 ARG A 59 -5.608 4.023 10.139 1.00 4.22 H new ATOM 0 HE ARG A 59 -4.662 1.563 10.247 1.00 31.11 H new ATOM 0 HH11 ARG A 59 -5.772 3.537 12.962 1.00 41.53 H new ATOM 0 HH12 ARG A 59 -6.235 2.138 13.937 1.00 41.53 H new ATOM 0 HH21 ARG A 59 -5.243 -0.224 11.514 1.00 30.01 H new ATOM 0 HH22 ARG A 59 -5.936 0.018 13.120 1.00 30.01 H new ATOM 964 N LEU A 60 -1.751 1.248 6.693 1.00 54.21 N ATOM 965 CA LEU A 60 -1.723 0.376 5.523 1.00 53.10 C ATOM 966 C LEU A 60 -3.001 -0.453 5.445 1.00 63.12 C ATOM 967 O LEU A 60 -3.269 -1.284 6.317 1.00 64.11 O ATOM 968 CB LEU A 60 -0.494 -0.545 5.561 1.00 74.32 C ATOM 969 CG LEU A 60 0.867 0.171 5.496 1.00 24.31 C ATOM 970 CD1 LEU A 60 2.016 -0.830 5.548 1.00 54.32 C ATOM 971 CD2 LEU A 60 0.967 1.050 4.250 1.00 54.21 C ATOM 0 H LEU A 60 -1.476 0.792 7.563 1.00 54.21 H new ATOM 0 HA LEU A 60 -1.658 1.002 4.633 1.00 53.10 H new ATOM 0 HB2 LEU A 60 -0.532 -1.136 6.476 1.00 74.32 H new ATOM 0 HB3 LEU A 60 -0.558 -1.244 4.727 1.00 74.32 H new ATOM 0 HG LEU A 60 0.944 0.817 6.370 1.00 24.31 H new ATOM 0 HD11 LEU A 60 2.965 -0.297 5.500 1.00 54.32 H new ATOM 0 HD12 LEU A 60 1.964 -1.396 6.478 1.00 54.32 H new ATOM 0 HD13 LEU A 60 1.941 -1.514 4.703 1.00 54.32 H new ATOM 0 HD21 LEU A 60 1.939 1.544 4.230 1.00 54.21 H new ATOM 0 HD22 LEU A 60 0.855 0.432 3.359 1.00 54.21 H new ATOM 0 HD23 LEU A 60 0.178 1.802 4.271 1.00 54.21 H new ATOM 983 N LYS A 61 -3.788 -0.208 4.407 1.00 0.14 N ATOM 984 CA LYS A 61 -5.030 -0.935 4.171 1.00 35.25 C ATOM 985 C LYS A 61 -4.815 -1.962 3.061 1.00 44.41 C ATOM 986 O LYS A 61 -4.299 -1.627 1.994 1.00 32.43 O ATOM 987 CB LYS A 61 -6.145 0.048 3.785 1.00 2.53 C ATOM 988 CG LYS A 61 -7.515 -0.596 3.587 1.00 32.44 C ATOM 989 CD LYS A 61 -8.068 -1.175 4.884 1.00 72.54 C ATOM 990 CE LYS A 61 -9.406 -1.869 4.667 1.00 2.12 C ATOM 991 NZ LYS A 61 -9.945 -2.450 5.924 1.00 21.42 N ATOM 0 H LYS A 61 -3.584 0.501 3.703 1.00 0.14 H new ATOM 0 HA LYS A 61 -5.327 -1.455 5.082 1.00 35.25 H new ATOM 0 HB2 LYS A 61 -6.224 0.810 4.560 1.00 2.53 H new ATOM 0 HB3 LYS A 61 -5.860 0.558 2.864 1.00 2.53 H new ATOM 0 HG2 LYS A 61 -8.211 0.146 3.196 1.00 32.44 H new ATOM 0 HG3 LYS A 61 -7.439 -1.387 2.841 1.00 32.44 H new ATOM 0 HD2 LYS A 61 -7.353 -1.885 5.299 1.00 72.54 H new ATOM 0 HD3 LYS A 61 -8.187 -0.377 5.617 1.00 72.54 H new ATOM 0 HE2 LYS A 61 -10.123 -1.155 4.262 1.00 2.12 H new ATOM 0 HE3 LYS A 61 -9.288 -2.658 3.925 1.00 2.12 H new ATOM 0 HZ1 LYS A 61 -10.856 -2.912 5.730 1.00 21.42 H new ATOM 0 HZ2 LYS A 61 -9.274 -3.151 6.298 1.00 21.42 H new ATOM 0 HZ3 LYS A 61 -10.083 -1.694 6.625 1.00 21.42 H new ATOM 1005 N GLY A 62 -5.200 -3.208 3.318 1.00 75.34 N ATOM 1006 CA GLY A 62 -5.009 -4.268 2.343 1.00 11.33 C ATOM 1007 C GLY A 62 -6.222 -4.469 1.454 1.00 54.04 C ATOM 1008 O GLY A 62 -7.362 -4.314 1.906 1.00 23.32 O ATOM 0 H GLY A 62 -5.643 -3.504 4.188 1.00 75.34 H new ATOM 0 HA2 GLY A 62 -4.143 -4.035 1.723 1.00 11.33 H new ATOM 0 HA3 GLY A 62 -4.786 -5.199 2.863 1.00 11.33 H new ATOM 1012 N PHE A 63 -5.977 -4.811 0.191 1.00 53.03 N ATOM 1013 CA PHE A 63 -7.045 -5.073 -0.772 1.00 53.41 C ATOM 1014 C PHE A 63 -6.691 -6.266 -1.653 1.00 40.52 C ATOM 1015 O PHE A 63 -5.558 -6.753 -1.634 1.00 32.41 O ATOM 1016 CB PHE A 63 -7.300 -3.843 -1.661 1.00 40.11 C ATOM 1017 CG PHE A 63 -7.912 -2.673 -0.933 1.00 33.44 C ATOM 1018 CD1 PHE A 63 -9.276 -2.636 -0.679 1.00 25.21 C ATOM 1019 CD2 PHE A 63 -7.127 -1.612 -0.505 1.00 44.45 C ATOM 1020 CE1 PHE A 63 -9.841 -1.568 -0.013 1.00 43.30 C ATOM 1021 CE2 PHE A 63 -7.688 -0.544 0.161 1.00 34.31 C ATOM 1022 CZ PHE A 63 -9.047 -0.522 0.409 1.00 32.35 C ATOM 0 H PHE A 63 -5.038 -4.914 -0.193 1.00 53.03 H new ATOM 0 HA PHE A 63 -7.951 -5.296 -0.208 1.00 53.41 H new ATOM 0 HB2 PHE A 63 -6.356 -3.527 -2.105 1.00 40.11 H new ATOM 0 HB3 PHE A 63 -7.958 -4.131 -2.481 1.00 40.11 H new ATOM 0 HD1 PHE A 63 -9.902 -3.453 -1.006 1.00 25.21 H new ATOM 0 HD2 PHE A 63 -6.064 -1.623 -0.696 1.00 44.45 H new ATOM 0 HE1 PHE A 63 -10.904 -1.551 0.178 1.00 43.30 H new ATOM 0 HE2 PHE A 63 -7.066 0.275 0.489 1.00 34.31 H new ATOM 0 HZ PHE A 63 -9.487 0.314 0.933 1.00 32.35 H new ATOM 1032 N PHE A 64 -7.674 -6.725 -2.418 1.00 14.35 N ATOM 1033 CA PHE A 64 -7.489 -7.798 -3.387 1.00 34.11 C ATOM 1034 C PHE A 64 -7.849 -7.280 -4.772 1.00 65.22 C ATOM 1035 O PHE A 64 -8.628 -6.329 -4.897 1.00 3.22 O ATOM 1036 CB PHE A 64 -8.371 -9.004 -3.033 1.00 33.10 C ATOM 1037 CG PHE A 64 -8.099 -9.583 -1.665 1.00 4.12 C ATOM 1038 CD1 PHE A 64 -7.100 -10.528 -1.480 1.00 33.55 C ATOM 1039 CD2 PHE A 64 -8.848 -9.182 -0.566 1.00 63.14 C ATOM 1040 CE1 PHE A 64 -6.855 -11.062 -0.228 1.00 41.34 C ATOM 1041 CE2 PHE A 64 -8.606 -9.713 0.686 1.00 43.01 C ATOM 1042 CZ PHE A 64 -7.608 -10.654 0.856 1.00 73.52 C ATOM 0 H PHE A 64 -8.626 -6.362 -2.383 1.00 14.35 H new ATOM 0 HA PHE A 64 -6.448 -8.121 -3.371 1.00 34.11 H new ATOM 0 HB2 PHE A 64 -9.418 -8.704 -3.088 1.00 33.10 H new ATOM 0 HB3 PHE A 64 -8.222 -9.782 -3.782 1.00 33.10 H new ATOM 0 HD1 PHE A 64 -6.507 -10.850 -2.323 1.00 33.55 H new ATOM 0 HD2 PHE A 64 -9.629 -8.446 -0.692 1.00 63.14 H new ATOM 0 HE1 PHE A 64 -6.075 -11.798 -0.098 1.00 41.34 H new ATOM 0 HE2 PHE A 64 -9.196 -9.393 1.532 1.00 43.01 H new ATOM 0 HZ PHE A 64 -7.417 -11.070 1.834 1.00 73.52 H new ATOM 1052 N ASP A 65 -7.289 -7.896 -5.809 1.00 5.42 N ATOM 1053 CA ASP A 65 -7.557 -7.471 -7.179 1.00 52.03 C ATOM 1054 C ASP A 65 -9.044 -7.626 -7.503 1.00 53.52 C ATOM 1055 O ASP A 65 -9.563 -8.740 -7.600 1.00 23.45 O ATOM 1056 CB ASP A 65 -6.689 -8.248 -8.191 1.00 22.44 C ATOM 1057 CG ASP A 65 -6.924 -9.753 -8.173 1.00 55.31 C ATOM 1058 OD1 ASP A 65 -6.367 -10.436 -7.284 1.00 42.03 O ATOM 1059 OD2 ASP A 65 -7.653 -10.264 -9.050 1.00 63.44 O ATOM 0 H ASP A 65 -6.650 -8.687 -5.728 1.00 5.42 H new ATOM 0 HA ASP A 65 -7.291 -6.417 -7.263 1.00 52.03 H new ATOM 0 HB2 ASP A 65 -6.890 -7.870 -9.193 1.00 22.44 H new ATOM 0 HB3 ASP A 65 -5.638 -8.051 -7.981 1.00 22.44 H new ATOM 1064 N ASP A 66 -9.733 -6.495 -7.606 1.00 21.31 N ATOM 1065 CA ASP A 66 -11.139 -6.473 -8.007 1.00 12.22 C ATOM 1066 C ASP A 66 -11.227 -6.533 -9.525 1.00 60.13 C ATOM 1067 O ASP A 66 -11.660 -7.537 -10.096 1.00 53.32 O ATOM 1068 CB ASP A 66 -11.829 -5.209 -7.480 1.00 73.42 C ATOM 1069 CG ASP A 66 -13.269 -5.077 -7.956 1.00 10.25 C ATOM 1070 OD1 ASP A 66 -14.164 -5.692 -7.344 1.00 44.33 O ATOM 1071 OD2 ASP A 66 -13.507 -4.345 -8.937 1.00 22.34 O ATOM 0 H ASP A 66 -9.339 -5.574 -7.416 1.00 21.31 H new ATOM 0 HA ASP A 66 -11.648 -7.337 -7.581 1.00 12.22 H new ATOM 0 HB2 ASP A 66 -11.812 -5.219 -6.390 1.00 73.42 H new ATOM 0 HB3 ASP A 66 -11.264 -4.333 -7.800 1.00 73.42 H new ATOM 1205 N THR A 75 -5.101 -2.172 -11.780 1.00 33.32 N ATOM 1206 CA THR A 75 -4.638 -1.410 -10.625 1.00 25.21 C ATOM 1207 C THR A 75 -5.816 -0.740 -9.912 1.00 54.10 C ATOM 1208 O THR A 75 -5.933 -0.805 -8.686 1.00 62.13 O ATOM 1209 CB THR A 75 -3.617 -0.330 -11.055 1.00 15.02 C ATOM 1210 OG1 THR A 75 -4.156 0.435 -12.144 1.00 52.41 O ATOM 1211 CG2 THR A 75 -2.290 -0.952 -11.481 1.00 24.20 C ATOM 0 HA THR A 75 -4.154 -2.106 -9.940 1.00 25.21 H new ATOM 0 HB THR A 75 -3.430 0.317 -10.198 1.00 15.02 H new ATOM 0 HG1 THR A 75 -4.651 -0.158 -12.747 1.00 52.41 H new ATOM 0 HG21 THR A 75 -1.597 -0.164 -11.776 1.00 24.20 H new ATOM 0 HG22 THR A 75 -1.867 -1.513 -10.648 1.00 24.20 H new ATOM 0 HG23 THR A 75 -2.457 -1.623 -12.323 1.00 24.20 H new ATOM 1219 N LYS A 76 -6.683 -0.092 -10.692 1.00 5.22 N ATOM 1220 CA LYS A 76 -7.853 0.597 -10.148 1.00 64.35 C ATOM 1221 C LYS A 76 -8.853 -0.408 -9.563 1.00 31.54 C ATOM 1222 O LYS A 76 -9.779 -0.860 -10.241 1.00 21.54 O ATOM 1223 CB LYS A 76 -8.526 1.462 -11.233 1.00 21.25 C ATOM 1224 CG LYS A 76 -9.768 2.223 -10.760 1.00 41.15 C ATOM 1225 CD LYS A 76 -9.425 3.298 -9.729 1.00 11.25 C ATOM 1226 CE LYS A 76 -10.671 3.997 -9.198 1.00 32.24 C ATOM 1227 NZ LYS A 76 -11.434 4.689 -10.271 1.00 71.33 N ATOM 0 H LYS A 76 -6.596 -0.030 -11.706 1.00 5.22 H new ATOM 0 HA LYS A 76 -7.519 1.252 -9.344 1.00 64.35 H new ATOM 0 HB2 LYS A 76 -7.798 2.180 -11.611 1.00 21.25 H new ATOM 0 HB3 LYS A 76 -8.805 0.821 -12.069 1.00 21.25 H new ATOM 0 HG2 LYS A 76 -10.257 2.686 -11.617 1.00 41.15 H new ATOM 0 HG3 LYS A 76 -10.480 1.520 -10.327 1.00 41.15 H new ATOM 0 HD2 LYS A 76 -8.882 2.845 -8.900 1.00 11.25 H new ATOM 0 HD3 LYS A 76 -8.760 4.035 -10.180 1.00 11.25 H new ATOM 0 HE2 LYS A 76 -11.316 3.265 -8.712 1.00 32.24 H new ATOM 0 HE3 LYS A 76 -10.381 4.722 -8.437 1.00 32.24 H new ATOM 0 HZ1 LYS A 76 -12.192 5.259 -9.845 1.00 71.33 H new ATOM 0 HZ2 LYS A 76 -10.794 5.309 -10.807 1.00 71.33 H new ATOM 0 HZ3 LYS A 76 -11.850 3.983 -10.912 1.00 71.33 H new ATOM 1241 N ILE A 77 -8.633 -0.775 -8.309 1.00 61.20 N ATOM 1242 CA ILE A 77 -9.538 -1.659 -7.589 1.00 73.25 C ATOM 1243 C ILE A 77 -10.793 -0.890 -7.176 1.00 31.22 C ATOM 1244 O ILE A 77 -10.699 0.157 -6.534 1.00 73.10 O ATOM 1245 CB ILE A 77 -8.841 -2.249 -6.335 1.00 40.55 C ATOM 1246 CG1 ILE A 77 -7.594 -3.049 -6.747 1.00 22.33 C ATOM 1247 CG2 ILE A 77 -9.801 -3.123 -5.529 1.00 70.41 C ATOM 1248 CD1 ILE A 77 -6.814 -3.613 -5.577 1.00 54.11 C ATOM 0 H ILE A 77 -7.826 -0.470 -7.764 1.00 61.20 H new ATOM 0 HA ILE A 77 -9.820 -2.481 -8.247 1.00 73.25 H new ATOM 0 HB ILE A 77 -8.531 -1.421 -5.697 1.00 40.55 H new ATOM 0 HG12 ILE A 77 -7.899 -3.869 -7.397 1.00 22.33 H new ATOM 0 HG13 ILE A 77 -6.938 -2.405 -7.332 1.00 22.33 H new ATOM 0 HG21 ILE A 77 -9.284 -3.522 -4.656 1.00 70.41 H new ATOM 0 HG22 ILE A 77 -10.652 -2.525 -5.204 1.00 70.41 H new ATOM 0 HG23 ILE A 77 -10.153 -3.946 -6.151 1.00 70.41 H new ATOM 0 HD11 ILE A 77 -5.950 -4.164 -5.948 1.00 54.11 H new ATOM 0 HD12 ILE A 77 -6.477 -2.797 -4.937 1.00 54.11 H new ATOM 0 HD13 ILE A 77 -7.453 -4.284 -5.003 1.00 54.11 H new ATOM 1260 N SER A 78 -11.966 -1.397 -7.552 1.00 10.33 N ATOM 1261 CA SER A 78 -13.222 -0.719 -7.237 1.00 3.24 C ATOM 1262 C SER A 78 -13.425 -0.662 -5.725 1.00 43.14 C ATOM 1263 O SER A 78 -13.859 0.353 -5.182 1.00 45.24 O ATOM 1264 CB SER A 78 -14.400 -1.435 -7.906 1.00 23.33 C ATOM 1265 OG SER A 78 -14.165 -1.614 -9.294 1.00 53.14 O ATOM 0 H SER A 78 -12.073 -2.268 -8.071 1.00 10.33 H new ATOM 0 HA SER A 78 -13.174 0.299 -7.622 1.00 3.24 H new ATOM 0 HB2 SER A 78 -14.558 -2.404 -7.432 1.00 23.33 H new ATOM 0 HB3 SER A 78 -15.312 -0.857 -7.760 1.00 23.33 H new ATOM 0 HG SER A 78 -13.900 -2.542 -9.464 1.00 53.14 H new ATOM 1271 N THR A 79 -13.089 -1.759 -5.058 1.00 43.43 N ATOM 1272 CA THR A 79 -13.144 -1.846 -3.612 1.00 0.41 C ATOM 1273 C THR A 79 -12.318 -0.725 -2.976 1.00 64.11 C ATOM 1274 O THR A 79 -12.695 -0.148 -1.953 1.00 24.12 O ATOM 1275 CB THR A 79 -12.600 -3.219 -3.164 1.00 65.14 C ATOM 1276 OG1 THR A 79 -12.713 -4.156 -4.249 1.00 53.11 O ATOM 1277 CG2 THR A 79 -13.376 -3.747 -1.977 1.00 62.11 C ATOM 0 H THR A 79 -12.770 -2.615 -5.511 1.00 43.43 H new ATOM 0 HA THR A 79 -14.179 -1.738 -3.287 1.00 0.41 H new ATOM 0 HB THR A 79 -11.556 -3.096 -2.876 1.00 65.14 H new ATOM 0 HG1 THR A 79 -12.366 -5.028 -3.966 1.00 53.11 H new ATOM 0 HG21 THR A 79 -12.973 -4.716 -1.681 1.00 62.11 H new ATOM 0 HG22 THR A 79 -13.289 -3.048 -1.145 1.00 62.11 H new ATOM 0 HG23 THR A 79 -14.426 -3.858 -2.249 1.00 62.11 H new ATOM 1285 N LEU A 80 -11.191 -0.416 -3.612 1.00 1.12 N ATOM 1286 CA LEU A 80 -10.323 0.665 -3.168 1.00 55.41 C ATOM 1287 C LEU A 80 -11.015 2.009 -3.357 1.00 14.04 C ATOM 1288 O LEU A 80 -10.961 2.870 -2.481 1.00 0.11 O ATOM 1289 CB LEU A 80 -8.999 0.632 -3.944 1.00 31.31 C ATOM 1290 CG LEU A 80 -8.075 1.844 -3.736 1.00 74.02 C ATOM 1291 CD1 LEU A 80 -7.732 2.024 -2.261 1.00 44.32 C ATOM 1292 CD2 LEU A 80 -6.807 1.696 -4.577 1.00 33.05 C ATOM 0 H LEU A 80 -10.858 -0.905 -4.443 1.00 1.12 H new ATOM 0 HA LEU A 80 -10.110 0.531 -2.108 1.00 55.41 H new ATOM 0 HB2 LEU A 80 -8.455 -0.269 -3.661 1.00 31.31 H new ATOM 0 HB3 LEU A 80 -9.224 0.548 -5.007 1.00 31.31 H new ATOM 0 HG LEU A 80 -8.604 2.738 -4.065 1.00 74.02 H new ATOM 0 HD11 LEU A 80 -7.078 2.888 -2.142 1.00 44.32 H new ATOM 0 HD12 LEU A 80 -8.648 2.181 -1.691 1.00 44.32 H new ATOM 0 HD13 LEU A 80 -7.225 1.132 -1.894 1.00 44.32 H new ATOM 0 HD21 LEU A 80 -6.163 2.561 -4.419 1.00 33.05 H new ATOM 0 HD22 LEU A 80 -6.277 0.791 -4.281 1.00 33.05 H new ATOM 0 HD23 LEU A 80 -7.075 1.631 -5.631 1.00 33.05 H new ATOM 1304 N ASP A 81 -11.679 2.168 -4.494 1.00 63.34 N ATOM 1305 CA ASP A 81 -12.340 3.429 -4.833 1.00 64.32 C ATOM 1306 C ASP A 81 -13.450 3.743 -3.828 1.00 74.24 C ATOM 1307 O ASP A 81 -13.785 4.910 -3.599 1.00 64.20 O ATOM 1308 CB ASP A 81 -12.899 3.372 -6.261 1.00 51.02 C ATOM 1309 CG ASP A 81 -13.339 4.736 -6.779 1.00 40.10 C ATOM 1310 OD1 ASP A 81 -12.468 5.606 -6.985 1.00 44.31 O ATOM 1311 OD2 ASP A 81 -14.549 4.936 -7.014 1.00 53.22 O ATOM 0 H ASP A 81 -11.776 1.440 -5.201 1.00 63.34 H new ATOM 0 HA ASP A 81 -11.603 4.230 -4.784 1.00 64.32 H new ATOM 0 HB2 ASP A 81 -12.139 2.963 -6.927 1.00 51.02 H new ATOM 0 HB3 ASP A 81 -13.747 2.688 -6.287 1.00 51.02 H new ATOM 1316 N GLU A 82 -14.018 2.697 -3.227 1.00 71.23 N ATOM 1317 CA GLU A 82 -15.003 2.862 -2.158 1.00 54.40 C ATOM 1318 C GLU A 82 -14.320 3.421 -0.910 1.00 22.11 C ATOM 1319 O GLU A 82 -14.836 4.324 -0.252 1.00 2.44 O ATOM 1320 CB GLU A 82 -15.683 1.523 -1.833 1.00 13.12 C ATOM 1321 CG GLU A 82 -16.379 0.878 -3.026 1.00 2.41 C ATOM 1322 CD GLU A 82 -17.073 -0.428 -2.666 1.00 15.33 C ATOM 1323 OE1 GLU A 82 -16.393 -1.471 -2.592 1.00 32.24 O ATOM 1324 OE2 GLU A 82 -18.305 -0.415 -2.450 1.00 11.55 O ATOM 0 H GLU A 82 -13.813 1.726 -3.463 1.00 71.23 H new ATOM 0 HA GLU A 82 -15.769 3.561 -2.494 1.00 54.40 H new ATOM 0 HB2 GLU A 82 -14.935 0.832 -1.444 1.00 13.12 H new ATOM 0 HB3 GLU A 82 -16.414 1.681 -1.040 1.00 13.12 H new ATOM 0 HG2 GLU A 82 -17.112 1.574 -3.433 1.00 2.41 H new ATOM 0 HG3 GLU A 82 -15.646 0.691 -3.811 1.00 2.41 H new ATOM 1331 N TYR A 83 -13.143 2.881 -0.613 1.00 45.03 N ATOM 1332 CA TYR A 83 -12.342 3.318 0.528 1.00 73.42 C ATOM 1333 C TYR A 83 -11.915 4.775 0.341 1.00 51.13 C ATOM 1334 O TYR A 83 -11.981 5.586 1.269 1.00 65.45 O ATOM 1335 CB TYR A 83 -11.115 2.402 0.662 1.00 52.43 C ATOM 1336 CG TYR A 83 -10.309 2.592 1.935 1.00 62.24 C ATOM 1337 CD1 TYR A 83 -10.822 2.196 3.164 1.00 15.13 C ATOM 1338 CD2 TYR A 83 -9.025 3.136 1.907 1.00 41.12 C ATOM 1339 CE1 TYR A 83 -10.087 2.338 4.326 1.00 0.53 C ATOM 1340 CE2 TYR A 83 -8.288 3.285 3.067 1.00 13.13 C ATOM 1341 CZ TYR A 83 -8.823 2.885 4.273 1.00 60.34 C ATOM 1342 OH TYR A 83 -8.090 3.017 5.432 1.00 1.11 O ATOM 0 H TYR A 83 -12.717 2.129 -1.155 1.00 45.03 H new ATOM 0 HA TYR A 83 -12.934 3.254 1.441 1.00 73.42 H new ATOM 0 HB2 TYR A 83 -11.447 1.365 0.611 1.00 52.43 H new ATOM 0 HB3 TYR A 83 -10.460 2.569 -0.193 1.00 52.43 H new ATOM 0 HD1 TYR A 83 -11.813 1.769 3.212 1.00 15.13 H new ATOM 0 HD2 TYR A 83 -8.600 3.446 0.964 1.00 41.12 H new ATOM 0 HE1 TYR A 83 -10.502 2.022 5.272 1.00 0.53 H new ATOM 0 HE2 TYR A 83 -7.297 3.713 3.029 1.00 13.13 H new ATOM 0 HH TYR A 83 -7.301 3.573 5.259 1.00 1.11 H new ATOM 1352 N ILE A 84 -11.492 5.097 -0.879 1.00 0.03 N ATOM 1353 CA ILE A 84 -11.071 6.451 -1.228 1.00 12.22 C ATOM 1354 C ILE A 84 -12.258 7.409 -1.157 1.00 65.34 C ATOM 1355 O ILE A 84 -12.117 8.562 -0.747 1.00 72.32 O ATOM 1356 CB ILE A 84 -10.444 6.493 -2.648 1.00 30.44 C ATOM 1357 CG1 ILE A 84 -9.252 5.522 -2.739 1.00 20.32 C ATOM 1358 CG2 ILE A 84 -10.011 7.911 -3.017 1.00 64.35 C ATOM 1359 CD1 ILE A 84 -8.193 5.748 -1.677 1.00 11.43 C ATOM 0 H ILE A 84 -11.432 4.431 -1.649 1.00 0.03 H new ATOM 0 HA ILE A 84 -10.314 6.763 -0.509 1.00 12.22 H new ATOM 0 HB ILE A 84 -11.205 6.178 -3.362 1.00 30.44 H new ATOM 0 HG12 ILE A 84 -9.622 4.500 -2.658 1.00 20.32 H new ATOM 0 HG13 ILE A 84 -8.792 5.618 -3.723 1.00 20.32 H new ATOM 0 HG21 ILE A 84 -9.576 7.910 -4.016 1.00 64.35 H new ATOM 0 HG22 ILE A 84 -10.877 8.572 -2.999 1.00 64.35 H new ATOM 0 HG23 ILE A 84 -9.271 8.264 -2.299 1.00 64.35 H new ATOM 0 HD11 ILE A 84 -7.387 5.026 -1.807 1.00 11.43 H new ATOM 0 HD12 ILE A 84 -7.794 6.758 -1.770 1.00 11.43 H new ATOM 0 HD13 ILE A 84 -8.636 5.623 -0.689 1.00 11.43 H new ATOM 1371 N TYR A 85 -13.429 6.905 -1.538 1.00 32.11 N ATOM 1372 CA TYR A 85 -14.675 7.672 -1.485 1.00 51.10 C ATOM 1373 C TYR A 85 -14.933 8.209 -0.075 1.00 13.14 C ATOM 1374 O TYR A 85 -15.393 9.342 0.096 1.00 61.22 O ATOM 1375 CB TYR A 85 -15.849 6.787 -1.947 1.00 72.02 C ATOM 1376 CG TYR A 85 -17.218 7.242 -1.468 1.00 11.30 C ATOM 1377 CD1 TYR A 85 -17.919 8.248 -2.128 1.00 1.33 C ATOM 1378 CD2 TYR A 85 -17.806 6.660 -0.347 1.00 71.50 C ATOM 1379 CE1 TYR A 85 -19.164 8.657 -1.682 1.00 14.15 C ATOM 1380 CE2 TYR A 85 -19.045 7.066 0.100 1.00 3.43 C ATOM 1381 CZ TYR A 85 -19.720 8.062 -0.568 1.00 32.10 C ATOM 1382 OH TYR A 85 -20.957 8.468 -0.116 1.00 73.32 O ATOM 0 H TYR A 85 -13.543 5.955 -1.892 1.00 32.11 H new ATOM 0 HA TYR A 85 -14.584 8.527 -2.155 1.00 51.10 H new ATOM 0 HB2 TYR A 85 -15.854 6.754 -3.036 1.00 72.02 H new ATOM 0 HB3 TYR A 85 -15.677 5.769 -1.598 1.00 72.02 H new ATOM 0 HD1 TYR A 85 -17.485 8.716 -3.000 1.00 1.33 H new ATOM 0 HD2 TYR A 85 -17.282 5.877 0.181 1.00 71.50 H new ATOM 0 HE1 TYR A 85 -19.698 9.438 -2.203 1.00 14.15 H new ATOM 0 HE2 TYR A 85 -19.485 6.604 0.972 1.00 3.43 H new ATOM 0 HH TYR A 85 -21.203 7.947 0.677 1.00 73.32 H new ATOM 1392 N GLU A 86 -14.624 7.394 0.926 1.00 23.11 N ATOM 1393 CA GLU A 86 -14.897 7.737 2.319 1.00 32.22 C ATOM 1394 C GLU A 86 -14.023 8.901 2.792 1.00 20.40 C ATOM 1395 O GLU A 86 -14.501 9.819 3.464 1.00 2.05 O ATOM 1396 CB GLU A 86 -14.676 6.512 3.218 1.00 62.30 C ATOM 1397 CG GLU A 86 -15.581 5.329 2.878 1.00 22.22 C ATOM 1398 CD GLU A 86 -15.451 4.187 3.870 1.00 72.32 C ATOM 1399 OE1 GLU A 86 -15.878 4.357 5.030 1.00 14.01 O ATOM 1400 OE2 GLU A 86 -14.931 3.110 3.502 1.00 12.24 O ATOM 0 H GLU A 86 -14.181 6.484 0.799 1.00 23.11 H new ATOM 0 HA GLU A 86 -15.938 8.051 2.388 1.00 32.22 H new ATOM 0 HB2 GLU A 86 -13.636 6.197 3.138 1.00 62.30 H new ATOM 0 HB3 GLU A 86 -14.843 6.799 4.256 1.00 62.30 H new ATOM 0 HG2 GLU A 86 -16.617 5.666 2.852 1.00 22.22 H new ATOM 0 HG3 GLU A 86 -15.338 4.966 1.879 1.00 22.22 H new ATOM 1407 N TYR A 87 -12.744 8.861 2.435 1.00 2.33 N ATOM 1408 CA TYR A 87 -11.783 9.859 2.911 1.00 12.24 C ATOM 1409 C TYR A 87 -11.661 11.036 1.945 1.00 24.23 C ATOM 1410 O TYR A 87 -11.875 12.191 2.323 1.00 70.41 O ATOM 1411 CB TYR A 87 -10.404 9.220 3.115 1.00 35.32 C ATOM 1412 CG TYR A 87 -10.385 8.119 4.160 1.00 5.01 C ATOM 1413 CD1 TYR A 87 -10.173 8.408 5.504 1.00 14.01 C ATOM 1414 CD2 TYR A 87 -10.575 6.790 3.798 1.00 35.41 C ATOM 1415 CE1 TYR A 87 -10.148 7.405 6.452 1.00 34.41 C ATOM 1416 CE2 TYR A 87 -10.553 5.786 4.742 1.00 34.21 C ATOM 1417 CZ TYR A 87 -10.339 6.096 6.068 1.00 11.11 C ATOM 1418 OH TYR A 87 -10.307 5.091 7.006 1.00 55.22 O ATOM 0 H TYR A 87 -12.346 8.152 1.819 1.00 2.33 H new ATOM 0 HA TYR A 87 -12.156 10.237 3.863 1.00 12.24 H new ATOM 0 HB2 TYR A 87 -10.059 8.812 2.165 1.00 35.32 H new ATOM 0 HB3 TYR A 87 -9.695 9.995 3.405 1.00 35.32 H new ATOM 0 HD1 TYR A 87 -10.026 9.433 5.811 1.00 14.01 H new ATOM 0 HD2 TYR A 87 -10.742 6.541 2.761 1.00 35.41 H new ATOM 0 HE1 TYR A 87 -9.979 7.646 7.491 1.00 34.41 H new ATOM 0 HE2 TYR A 87 -10.703 4.759 4.444 1.00 34.21 H new ATOM 0 HH TYR A 87 -10.461 4.229 6.567 1.00 55.22 H new ATOM 1428 N CYS A 88 -11.327 10.732 0.700 1.00 21.22 N ATOM 1429 CA CYS A 88 -10.987 11.753 -0.282 1.00 43.24 C ATOM 1430 C CYS A 88 -12.212 12.510 -0.783 1.00 32.12 C ATOM 1431 O CYS A 88 -12.880 12.085 -1.729 1.00 61.14 O ATOM 1432 CB CYS A 88 -10.231 11.128 -1.457 1.00 22.13 C ATOM 1433 SG CYS A 88 -8.562 10.540 -1.023 1.00 31.32 S ATOM 0 H CYS A 88 -11.284 9.778 0.343 1.00 21.22 H new ATOM 0 HA CYS A 88 -10.345 12.478 0.218 1.00 43.24 H new ATOM 0 HB2 CYS A 88 -10.811 10.292 -1.848 1.00 22.13 H new ATOM 0 HB3 CYS A 88 -10.151 11.863 -2.258 1.00 22.13 H new ATOM 1438 N ASN A 89 -12.520 13.612 -0.109 1.00 13.15 N ATOM 1439 CA ASN A 89 -13.483 14.588 -0.612 1.00 54.54 C ATOM 1440 C ASN A 89 -12.722 15.745 -1.257 1.00 52.42 C ATOM 1441 O ASN A 89 -13.183 16.356 -2.222 1.00 53.13 O ATOM 1442 CB ASN A 89 -14.390 15.107 0.519 1.00 53.11 C ATOM 1443 CG ASN A 89 -13.625 15.853 1.606 1.00 71.24 C ATOM 1444 OD1 ASN A 89 -12.462 15.554 1.887 1.00 23.33 O ATOM 1445 ND2 ASN A 89 -14.268 16.833 2.223 1.00 61.40 N ATOM 0 H ASN A 89 -12.114 13.854 0.795 1.00 13.15 H new ATOM 0 HA ASN A 89 -14.124 14.108 -1.352 1.00 54.54 H new ATOM 0 HB2 ASN A 89 -15.145 15.769 0.096 1.00 53.11 H new ATOM 0 HB3 ASN A 89 -14.918 14.266 0.967 1.00 53.11 H new ATOM 0 HD21 ASN A 89 -13.801 17.367 2.956 1.00 61.40 H new ATOM 0 HD22 ASN A 89 -15.230 17.054 1.965 1.00 61.40 H new ATOM 1452 N PHE A 90 -11.536 16.026 -0.712 1.00 2.14 N ATOM 1453 CA PHE A 90 -10.646 17.049 -1.255 1.00 11.52 C ATOM 1454 C PHE A 90 -9.223 16.853 -0.725 1.00 14.23 C ATOM 1455 O PHE A 90 -8.310 16.510 -1.477 1.00 34.15 O ATOM 1456 CB PHE A 90 -11.155 18.457 -0.905 1.00 43.13 C ATOM 1457 CG PHE A 90 -10.294 19.568 -1.464 1.00 4.30 C ATOM 1458 CD1 PHE A 90 -10.334 19.883 -2.816 1.00 20.22 C ATOM 1459 CD2 PHE A 90 -9.440 20.293 -0.641 1.00 21.12 C ATOM 1460 CE1 PHE A 90 -9.545 20.892 -3.332 1.00 65.41 C ATOM 1461 CE2 PHE A 90 -8.648 21.302 -1.156 1.00 71.13 C ATOM 1462 CZ PHE A 90 -8.702 21.602 -2.502 1.00 64.21 C ATOM 0 H PHE A 90 -11.169 15.552 0.114 1.00 2.14 H new ATOM 0 HA PHE A 90 -10.633 16.949 -2.340 1.00 11.52 H new ATOM 0 HB2 PHE A 90 -12.171 18.571 -1.282 1.00 43.13 H new ATOM 0 HB3 PHE A 90 -11.204 18.557 0.179 1.00 43.13 H new ATOM 0 HD1 PHE A 90 -10.991 19.332 -3.472 1.00 20.22 H new ATOM 0 HD2 PHE A 90 -9.395 20.065 0.414 1.00 21.12 H new ATOM 0 HE1 PHE A 90 -9.588 21.125 -4.386 1.00 65.41 H new ATOM 0 HE2 PHE A 90 -7.987 21.855 -0.505 1.00 71.13 H new ATOM 0 HZ PHE A 90 -8.085 22.392 -2.905 1.00 64.21 H new ATOM 1472 N GLY A 91 -9.048 17.053 0.579 1.00 13.10 N ATOM 1473 CA GLY A 91 -7.731 16.962 1.188 1.00 41.42 C ATOM 1474 C GLY A 91 -7.435 15.573 1.719 1.00 61.02 C ATOM 1475 O GLY A 91 -7.944 15.187 2.774 1.00 1.22 O ATOM 0 H GLY A 91 -9.801 17.278 1.229 1.00 13.10 H new ATOM 0 HA2 GLY A 91 -6.974 17.236 0.453 1.00 41.42 H new ATOM 0 HA3 GLY A 91 -7.660 17.682 2.003 1.00 41.42 H new ATOM 1479 N CYS A 92 -6.623 14.820 0.985 1.00 64.04 N ATOM 1480 CA CYS A 92 -6.236 13.470 1.386 1.00 24.25 C ATOM 1481 C CYS A 92 -4.919 13.086 0.719 1.00 1.04 C ATOM 1482 O CYS A 92 -4.347 13.874 -0.037 1.00 42.33 O ATOM 1483 CB CYS A 92 -7.323 12.463 0.987 1.00 64.14 C ATOM 1484 SG CYS A 92 -7.511 12.262 -0.816 1.00 10.54 S ATOM 0 H CYS A 92 -6.216 15.125 0.101 1.00 64.04 H new ATOM 0 HA CYS A 92 -6.113 13.452 2.469 1.00 24.25 H new ATOM 0 HB2 CYS A 92 -7.088 11.495 1.429 1.00 64.14 H new ATOM 0 HB3 CYS A 92 -8.275 12.784 1.409 1.00 64.14 H new ATOM 1489 N ALA A 93 -4.445 11.876 1.003 1.00 23.21 N ATOM 1490 CA ALA A 93 -3.244 11.336 0.377 1.00 73.24 C ATOM 1491 C ALA A 93 -3.210 9.826 0.563 1.00 74.14 C ATOM 1492 O ALA A 93 -3.736 9.317 1.553 1.00 2.23 O ATOM 1493 CB ALA A 93 -1.988 11.974 0.965 1.00 31.32 C ATOM 0 H ALA A 93 -4.883 11.244 1.673 1.00 23.21 H new ATOM 0 HA ALA A 93 -3.268 11.568 -0.688 1.00 73.24 H new ATOM 0 HB1 ALA A 93 -1.106 11.554 0.481 1.00 31.32 H new ATOM 0 HB2 ALA A 93 -2.015 13.051 0.799 1.00 31.32 H new ATOM 0 HB3 ALA A 93 -1.945 11.773 2.035 1.00 31.32 H new ATOM 1499 N TYR A 94 -2.609 9.114 -0.388 1.00 33.22 N ATOM 1500 CA TYR A 94 -2.475 7.660 -0.299 1.00 2.21 C ATOM 1501 C TYR A 94 -1.558 7.134 -1.400 1.00 2.10 C ATOM 1502 O TYR A 94 -1.252 7.849 -2.359 1.00 22.43 O ATOM 1503 CB TYR A 94 -3.848 6.962 -0.367 1.00 75.44 C ATOM 1504 CG TYR A 94 -4.576 7.099 -1.699 1.00 15.24 C ATOM 1505 CD1 TYR A 94 -5.268 8.262 -2.023 1.00 44.12 C ATOM 1506 CD2 TYR A 94 -4.577 6.057 -2.622 1.00 73.12 C ATOM 1507 CE1 TYR A 94 -5.939 8.381 -3.228 1.00 21.22 C ATOM 1508 CE2 TYR A 94 -5.242 6.171 -3.827 1.00 1.04 C ATOM 1509 CZ TYR A 94 -5.921 7.333 -4.127 1.00 55.21 C ATOM 1510 OH TYR A 94 -6.587 7.446 -5.329 1.00 34.13 O ATOM 0 H TYR A 94 -2.206 9.521 -1.232 1.00 33.22 H new ATOM 0 HA TYR A 94 -2.029 7.430 0.668 1.00 2.21 H new ATOM 0 HB2 TYR A 94 -3.711 5.902 -0.153 1.00 75.44 H new ATOM 0 HB3 TYR A 94 -4.484 7.367 0.420 1.00 75.44 H new ATOM 0 HD1 TYR A 94 -5.282 9.085 -1.323 1.00 44.12 H new ATOM 0 HD2 TYR A 94 -4.049 5.144 -2.392 1.00 73.12 H new ATOM 0 HE1 TYR A 94 -6.474 9.289 -3.464 1.00 21.22 H new ATOM 0 HE2 TYR A 94 -5.230 5.353 -4.532 1.00 1.04 H new ATOM 0 HH TYR A 94 -5.939 7.432 -6.064 1.00 34.13 H new ATOM 1520 N PHE A 95 -1.125 5.886 -1.256 1.00 72.43 N ATOM 1521 CA PHE A 95 -0.253 5.241 -2.236 1.00 13.31 C ATOM 1522 C PHE A 95 -0.610 3.764 -2.372 1.00 15.13 C ATOM 1523 O PHE A 95 -0.925 3.108 -1.378 1.00 61.53 O ATOM 1524 CB PHE A 95 1.223 5.406 -1.837 1.00 1.32 C ATOM 1525 CG PHE A 95 1.563 4.886 -0.456 1.00 2.31 C ATOM 1526 CD1 PHE A 95 1.430 5.702 0.658 1.00 71.31 C ATOM 1527 CD2 PHE A 95 2.026 3.589 -0.275 1.00 31.31 C ATOM 1528 CE1 PHE A 95 1.747 5.236 1.919 1.00 11.11 C ATOM 1529 CE2 PHE A 95 2.346 3.120 0.986 1.00 10.05 C ATOM 1530 CZ PHE A 95 2.205 3.945 2.082 1.00 14.02 C ATOM 0 H PHE A 95 -1.366 5.294 -0.461 1.00 72.43 H new ATOM 0 HA PHE A 95 -0.402 5.723 -3.202 1.00 13.31 H new ATOM 0 HB2 PHE A 95 1.844 4.889 -2.569 1.00 1.32 H new ATOM 0 HB3 PHE A 95 1.484 6.463 -1.888 1.00 1.32 H new ATOM 0 HD1 PHE A 95 1.074 6.715 0.538 1.00 71.31 H new ATOM 0 HD2 PHE A 95 2.138 2.939 -1.130 1.00 31.31 H new ATOM 0 HE1 PHE A 95 1.636 5.882 2.777 1.00 11.11 H new ATOM 0 HE2 PHE A 95 2.706 2.109 1.112 1.00 10.05 H new ATOM 0 HZ PHE A 95 2.453 3.580 3.068 1.00 14.02 H new ATOM 1540 N VAL A 96 -0.571 3.249 -3.602 1.00 10.23 N ATOM 1541 CA VAL A 96 -0.924 1.859 -3.876 1.00 32.45 C ATOM 1542 C VAL A 96 0.292 1.072 -4.367 1.00 61.21 C ATOM 1543 O VAL A 96 0.886 1.409 -5.397 1.00 52.14 O ATOM 1544 CB VAL A 96 -2.048 1.769 -4.940 1.00 11.01 C ATOM 1545 CG1 VAL A 96 -2.487 0.319 -5.150 1.00 11.20 C ATOM 1546 CG2 VAL A 96 -3.235 2.652 -4.553 1.00 61.41 C ATOM 0 H VAL A 96 -0.296 3.780 -4.428 1.00 10.23 H new ATOM 0 HA VAL A 96 -1.280 1.426 -2.941 1.00 32.45 H new ATOM 0 HB VAL A 96 -1.649 2.137 -5.885 1.00 11.01 H new ATOM 0 HG11 VAL A 96 -3.276 0.283 -5.901 1.00 11.20 H new ATOM 0 HG12 VAL A 96 -1.637 -0.273 -5.488 1.00 11.20 H new ATOM 0 HG13 VAL A 96 -2.861 -0.088 -4.210 1.00 11.20 H new ATOM 0 HG21 VAL A 96 -4.011 2.573 -5.314 1.00 61.41 H new ATOM 0 HG22 VAL A 96 -3.634 2.325 -3.593 1.00 61.41 H new ATOM 0 HG23 VAL A 96 -2.907 3.689 -4.476 1.00 61.41 H new ATOM 1556 N LEU A 97 0.663 0.034 -3.619 1.00 72.25 N ATOM 1557 CA LEU A 97 1.733 -0.881 -4.017 1.00 14.04 C ATOM 1558 C LEU A 97 1.139 -2.204 -4.500 1.00 72.11 C ATOM 1559 O LEU A 97 0.279 -2.787 -3.835 1.00 62.44 O ATOM 1560 CB LEU A 97 2.709 -1.132 -2.851 1.00 71.34 C ATOM 1561 CG LEU A 97 3.919 -0.175 -2.767 1.00 30.21 C ATOM 1562 CD1 LEU A 97 3.478 1.278 -2.622 1.00 31.34 C ATOM 1563 CD2 LEU A 97 4.837 -0.571 -1.613 1.00 60.54 C ATOM 0 H LEU A 97 0.233 -0.196 -2.723 1.00 72.25 H new ATOM 0 HA LEU A 97 2.290 -0.420 -4.833 1.00 14.04 H new ATOM 0 HB2 LEU A 97 2.153 -1.066 -1.916 1.00 71.34 H new ATOM 0 HB3 LEU A 97 3.082 -2.153 -2.928 1.00 71.34 H new ATOM 0 HG LEU A 97 4.472 -0.262 -3.702 1.00 30.21 H new ATOM 0 HD11 LEU A 97 4.356 1.921 -2.566 1.00 31.34 H new ATOM 0 HD12 LEU A 97 2.874 1.563 -3.484 1.00 31.34 H new ATOM 0 HD13 LEU A 97 2.888 1.390 -1.712 1.00 31.34 H new ATOM 0 HD21 LEU A 97 5.683 0.114 -1.570 1.00 60.54 H new ATOM 0 HD22 LEU A 97 4.284 -0.524 -0.675 1.00 60.54 H new ATOM 0 HD23 LEU A 97 5.200 -1.587 -1.769 1.00 60.54 H new ATOM 1575 N LYS A 98 1.606 -2.664 -5.658 1.00 53.40 N ATOM 1576 CA LYS A 98 1.119 -3.903 -6.265 1.00 24.13 C ATOM 1577 C LYS A 98 2.222 -4.960 -6.294 1.00 10.42 C ATOM 1578 O LYS A 98 3.384 -4.643 -6.558 1.00 22.34 O ATOM 1579 CB LYS A 98 0.616 -3.623 -7.689 1.00 1.41 C ATOM 1580 CG LYS A 98 0.204 -4.873 -8.466 1.00 22.22 C ATOM 1581 CD LYS A 98 -0.369 -4.526 -9.841 1.00 41.21 C ATOM 1582 CE LYS A 98 -0.782 -5.774 -10.614 1.00 72.10 C ATOM 1583 NZ LYS A 98 -1.413 -5.435 -11.915 1.00 12.23 N ATOM 0 H LYS A 98 2.329 -2.192 -6.201 1.00 53.40 H new ATOM 0 HA LYS A 98 0.295 -4.285 -5.663 1.00 24.13 H new ATOM 0 HB2 LYS A 98 -0.236 -2.946 -7.634 1.00 1.41 H new ATOM 0 HB3 LYS A 98 1.399 -3.106 -8.244 1.00 1.41 H new ATOM 0 HG2 LYS A 98 1.068 -5.527 -8.587 1.00 22.22 H new ATOM 0 HG3 LYS A 98 -0.538 -5.429 -7.893 1.00 22.22 H new ATOM 0 HD2 LYS A 98 -1.232 -3.871 -9.720 1.00 41.21 H new ATOM 0 HD3 LYS A 98 0.374 -3.972 -10.415 1.00 41.21 H new ATOM 0 HE2 LYS A 98 0.093 -6.400 -10.787 1.00 72.10 H new ATOM 0 HE3 LYS A 98 -1.479 -6.359 -10.014 1.00 72.10 H new ATOM 0 HZ1 LYS A 98 -1.679 -6.310 -12.410 1.00 12.23 H new ATOM 0 HZ2 LYS A 98 -2.263 -4.859 -11.749 1.00 12.23 H new ATOM 0 HZ3 LYS A 98 -0.739 -4.899 -12.498 1.00 12.23 H new ATOM 1597 N ARG A 99 1.851 -6.209 -6.003 1.00 53.22 N ATOM 1598 CA ARG A 99 2.784 -7.336 -6.065 1.00 12.31 C ATOM 1599 C ARG A 99 3.237 -7.567 -7.508 1.00 3.20 C ATOM 1600 O ARG A 99 2.433 -7.457 -8.435 1.00 11.31 O ATOM 1601 CB ARG A 99 2.119 -8.611 -5.523 1.00 44.34 C ATOM 1602 CG ARG A 99 3.094 -9.747 -5.218 1.00 3.21 C ATOM 1603 CD ARG A 99 3.929 -9.448 -3.978 1.00 42.21 C ATOM 1604 NE ARG A 99 4.829 -10.552 -3.629 1.00 11.31 N ATOM 1605 CZ ARG A 99 4.789 -11.216 -2.471 1.00 20.10 C ATOM 1606 NH1 ARG A 99 3.777 -11.038 -1.627 1.00 45.21 N ATOM 1607 NH2 ARG A 99 5.725 -12.117 -2.188 1.00 72.21 N ATOM 0 H ARG A 99 0.905 -6.466 -5.721 1.00 53.22 H new ATOM 0 HA ARG A 99 3.652 -7.099 -5.450 1.00 12.31 H new ATOM 0 HB2 ARG A 99 1.572 -8.363 -4.613 1.00 44.34 H new ATOM 0 HB3 ARG A 99 1.386 -8.962 -6.250 1.00 44.34 H new ATOM 0 HG2 ARG A 99 2.540 -10.674 -5.070 1.00 3.21 H new ATOM 0 HG3 ARG A 99 3.752 -9.902 -6.073 1.00 3.21 H new ATOM 0 HD2 ARG A 99 4.515 -8.545 -4.148 1.00 42.21 H new ATOM 0 HD3 ARG A 99 3.266 -9.244 -3.137 1.00 42.21 H new ATOM 0 HE ARG A 99 5.531 -10.831 -4.315 1.00 11.31 H new ATOM 0 HH11 ARG A 99 3.025 -10.391 -1.862 1.00 45.21 H new ATOM 0 HH12 ARG A 99 3.753 -11.549 -0.744 1.00 45.21 H new ATOM 0 HH21 ARG A 99 6.474 -12.301 -2.855 1.00 72.21 H new ATOM 0 HH22 ARG A 99 5.694 -12.624 -1.303 1.00 72.21 H new ATOM 1621 N ILE A 100 4.513 -7.885 -7.693 1.00 21.32 N ATOM 1622 CA ILE A 100 5.056 -8.088 -9.035 1.00 3.23 C ATOM 1623 C ILE A 100 5.109 -9.575 -9.404 1.00 22.54 C ATOM 1624 O ILE A 100 4.206 -10.086 -10.067 1.00 35.34 O ATOM 1625 CB ILE A 100 6.465 -7.458 -9.180 1.00 41.32 C ATOM 1626 CG1 ILE A 100 6.429 -5.973 -8.781 1.00 41.11 C ATOM 1627 CG2 ILE A 100 6.989 -7.623 -10.610 1.00 1.00 C ATOM 1628 CD1 ILE A 100 5.427 -5.158 -9.567 1.00 4.14 C ATOM 0 H ILE A 100 5.188 -8.008 -6.938 1.00 21.32 H new ATOM 0 HA ILE A 100 4.379 -7.585 -9.726 1.00 3.23 H new ATOM 0 HB ILE A 100 7.147 -7.980 -8.509 1.00 41.32 H new ATOM 0 HG12 ILE A 100 6.194 -5.896 -7.719 1.00 41.11 H new ATOM 0 HG13 ILE A 100 7.422 -5.544 -8.919 1.00 41.11 H new ATOM 0 HG21 ILE A 100 7.979 -7.174 -10.689 1.00 1.00 H new ATOM 0 HG22 ILE A 100 7.051 -8.683 -10.855 1.00 1.00 H new ATOM 0 HG23 ILE A 100 6.310 -7.129 -11.305 1.00 1.00 H new ATOM 0 HD11 ILE A 100 5.458 -4.121 -9.231 1.00 4.14 H new ATOM 0 HD12 ILE A 100 5.673 -5.203 -10.628 1.00 4.14 H new ATOM 0 HD13 ILE A 100 4.427 -5.561 -9.409 1.00 4.14 H new ATOM 1640 N ARG A 101 6.159 -10.271 -8.968 1.00 41.42 N ATOM 1641 CA ARG A 101 6.365 -11.671 -9.342 1.00 43.23 C ATOM 1642 C ARG A 101 7.187 -12.405 -8.289 1.00 44.12 C ATOM 1643 O ARG A 101 7.425 -11.888 -7.194 1.00 62.03 O ATOM 1644 CB ARG A 101 7.092 -11.760 -10.695 1.00 20.04 C ATOM 1645 CG ARG A 101 8.462 -11.075 -10.698 1.00 41.22 C ATOM 1646 CD ARG A 101 9.384 -11.631 -11.777 1.00 34.32 C ATOM 1647 NE ARG A 101 8.798 -11.558 -13.120 1.00 71.33 N ATOM 1648 CZ ARG A 101 8.558 -12.623 -13.892 1.00 33.15 C ATOM 1649 NH1 ARG A 101 8.818 -13.847 -13.445 1.00 52.52 N ATOM 1650 NH2 ARG A 101 8.057 -12.461 -15.114 1.00 2.14 N ATOM 0 H ARG A 101 6.880 -9.889 -8.356 1.00 41.42 H new ATOM 0 HA ARG A 101 5.384 -12.141 -9.417 1.00 43.23 H new ATOM 0 HB2 ARG A 101 7.218 -12.809 -10.962 1.00 20.04 H new ATOM 0 HB3 ARG A 101 6.467 -11.308 -11.465 1.00 20.04 H new ATOM 0 HG2 ARG A 101 8.330 -10.004 -10.852 1.00 41.22 H new ATOM 0 HG3 ARG A 101 8.931 -11.201 -9.722 1.00 41.22 H new ATOM 0 HD2 ARG A 101 10.324 -11.079 -11.765 1.00 34.32 H new ATOM 0 HD3 ARG A 101 9.622 -12.669 -11.545 1.00 34.32 H new ATOM 0 HE ARG A 101 8.559 -10.637 -13.488 1.00 71.33 H new ATOM 0 HH11 ARG A 101 9.202 -13.977 -12.509 1.00 52.52 H new ATOM 0 HH12 ARG A 101 8.633 -14.656 -14.038 1.00 52.52 H new ATOM 0 HH21 ARG A 101 7.856 -11.524 -15.463 1.00 2.14 H new ATOM 0 HH22 ARG A 101 7.874 -13.274 -15.702 1.00 2.14 H new ATOM 1664 N LYS A 102 7.595 -13.625 -8.626 1.00 12.43 N ATOM 1665 CA LYS A 102 8.537 -14.380 -7.816 1.00 22.25 C ATOM 1666 C LYS A 102 9.893 -13.678 -7.821 1.00 64.35 C ATOM 1667 O LYS A 102 10.431 -13.378 -8.889 1.00 54.04 O ATOM 1668 CB LYS A 102 8.686 -15.804 -8.372 1.00 1.34 C ATOM 1669 CG LYS A 102 7.435 -16.666 -8.230 1.00 34.11 C ATOM 1670 CD LYS A 102 7.227 -17.134 -6.791 1.00 50.05 C ATOM 1671 CE LYS A 102 8.411 -17.964 -6.298 1.00 54.20 C ATOM 1672 NZ LYS A 102 8.200 -18.501 -4.927 1.00 53.51 N ATOM 0 H LYS A 102 7.282 -14.114 -9.465 1.00 12.43 H new ATOM 0 HA LYS A 102 8.163 -14.438 -6.794 1.00 22.25 H new ATOM 0 HB2 LYS A 102 8.954 -15.744 -9.427 1.00 1.34 H new ATOM 0 HB3 LYS A 102 9.513 -16.297 -7.861 1.00 1.34 H new ATOM 0 HG2 LYS A 102 6.564 -16.098 -8.557 1.00 34.11 H new ATOM 0 HG3 LYS A 102 7.515 -17.533 -8.886 1.00 34.11 H new ATOM 0 HD2 LYS A 102 7.092 -16.269 -6.142 1.00 50.05 H new ATOM 0 HD3 LYS A 102 6.314 -17.726 -6.728 1.00 50.05 H new ATOM 0 HE2 LYS A 102 8.582 -18.792 -6.986 1.00 54.20 H new ATOM 0 HE3 LYS A 102 9.311 -17.349 -6.309 1.00 54.20 H new ATOM 0 HZ1 LYS A 102 9.031 -19.056 -4.640 1.00 53.51 H new ATOM 0 HZ2 LYS A 102 8.064 -17.713 -4.263 1.00 53.51 H new ATOM 0 HZ3 LYS A 102 7.357 -19.110 -4.919 1.00 53.51 H new ATOM 1686 N LEU A 103 10.428 -13.418 -6.632 1.00 72.41 N ATOM 1687 CA LEU A 103 11.714 -12.734 -6.489 1.00 61.22 C ATOM 1688 C LEU A 103 12.809 -13.447 -7.284 1.00 32.43 C ATOM 1689 O LEU A 103 13.310 -14.498 -6.867 1.00 44.12 O ATOM 1690 CB LEU A 103 12.115 -12.638 -5.003 1.00 52.31 C ATOM 1691 CG LEU A 103 11.426 -11.525 -4.192 1.00 43.43 C ATOM 1692 CD1 LEU A 103 11.815 -10.149 -4.724 1.00 74.14 C ATOM 1693 CD2 LEU A 103 9.908 -11.693 -4.206 1.00 10.04 C ATOM 0 H LEU A 103 9.989 -13.672 -5.747 1.00 72.41 H new ATOM 0 HA LEU A 103 11.601 -11.726 -6.889 1.00 61.22 H new ATOM 0 HB2 LEU A 103 11.901 -13.594 -4.526 1.00 52.31 H new ATOM 0 HB3 LEU A 103 13.193 -12.488 -4.946 1.00 52.31 H new ATOM 0 HG LEU A 103 11.766 -11.606 -3.160 1.00 43.43 H new ATOM 0 HD11 LEU A 103 11.317 -9.378 -4.137 1.00 74.14 H new ATOM 0 HD12 LEU A 103 12.895 -10.022 -4.649 1.00 74.14 H new ATOM 0 HD13 LEU A 103 11.511 -10.063 -5.767 1.00 74.14 H new ATOM 0 HD21 LEU A 103 9.448 -10.893 -3.626 1.00 10.04 H new ATOM 0 HD22 LEU A 103 9.547 -11.650 -5.233 1.00 10.04 H new ATOM 0 HD23 LEU A 103 9.644 -12.656 -3.769 1.00 10.04 H new