USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=20 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= 0.0178 X(o=0.23,f=0.03) USER MOD Set 1.2: A 94 TYR OH : rot -57:sc= 0.216 USER MOD Single : A 12 MET CE :methyl 178:sc= -0.352 (180deg=-0.356) USER MOD Single : A 16 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.36) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 25 ASN : amide:sc= -1.43 K(o=-1.4,f=-12!) USER MOD Single : A 27 LYS NZ :NH3+ 169:sc= -0.0241 (180deg=-0.184) USER MOD Single : A 31 ASN : amide:sc= -1.16 K(o=-1.2,f=-3.5!) USER MOD Single : A 36 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0741) USER MOD Single : A 39 TYR OH : rot 41:sc= 0.317 USER MOD Single : A 40 SER OG : rot 180:sc= -0.795 USER MOD Single : A 44 ASN : amide:sc= 0.237 K(o=0.24,f=-3.7!) USER MOD Single : A 45 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00361) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0729 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.772 K(o=-0.77,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 147:sc= 1.25 (180deg=-0.657) USER MOD Single : A 75 THR OG1 : rot -18:sc= 0.336 USER MOD Single : A 76 LYS NZ :NH3+ -150:sc= 0.874 (180deg=0.238) 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 -154:sc= 0.272 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=-0.35) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 167:sc= -0.0133 (180deg=-0.15) USER MOD ----------------------------------------------------------------- ATOM 135 N GLY A 9 9.842 -1.258 -13.604 1.00 34.31 N ATOM 136 CA GLY A 9 8.621 -0.471 -13.587 1.00 13.41 C ATOM 137 C GLY A 9 8.910 1.013 -13.454 1.00 20.43 C ATOM 138 O GLY A 9 8.952 1.739 -14.451 1.00 72.31 O ATOM 0 HA2 GLY A 9 8.059 -0.651 -14.504 1.00 13.41 H new ATOM 0 HA3 GLY A 9 7.991 -0.795 -12.758 1.00 13.41 H new ATOM 142 N GLU A 10 9.144 1.443 -12.218 1.00 60.02 N ATOM 143 CA GLU A 10 9.466 2.832 -11.909 1.00 24.31 C ATOM 144 C GLU A 10 9.974 2.920 -10.473 1.00 21.04 C ATOM 145 O GLU A 10 11.127 3.277 -10.230 1.00 4.34 O ATOM 146 CB GLU A 10 8.238 3.738 -12.103 1.00 22.43 C ATOM 147 CG GLU A 10 8.509 5.208 -11.801 1.00 15.30 C ATOM 148 CD GLU A 10 7.329 6.103 -12.138 1.00 31.23 C ATOM 149 OE1 GLU A 10 7.215 6.520 -13.314 1.00 31.54 O ATOM 150 OE2 GLU A 10 6.516 6.396 -11.236 1.00 3.23 O ATOM 0 H GLU A 10 9.115 0.835 -11.399 1.00 60.02 H new ATOM 0 HA GLU A 10 10.242 3.178 -12.592 1.00 24.31 H new ATOM 0 HB2 GLU A 10 7.888 3.646 -13.131 1.00 22.43 H new ATOM 0 HB3 GLU A 10 7.432 3.386 -11.459 1.00 22.43 H new ATOM 0 HG2 GLU A 10 8.753 5.319 -10.745 1.00 15.30 H new ATOM 0 HG3 GLU A 10 9.381 5.536 -12.366 1.00 15.30 H new ATOM 157 N ILE A 11 9.106 2.570 -9.530 1.00 61.32 N ATOM 158 CA ILE A 11 9.457 2.535 -8.114 1.00 12.43 C ATOM 159 C ILE A 11 9.137 1.153 -7.549 1.00 4.21 C ATOM 160 O ILE A 11 7.968 0.765 -7.465 1.00 22.33 O ATOM 161 CB ILE A 11 8.694 3.623 -7.311 1.00 64.44 C ATOM 162 CG1 ILE A 11 8.996 5.021 -7.884 1.00 61.02 C ATOM 163 CG2 ILE A 11 9.058 3.553 -5.824 1.00 73.44 C ATOM 164 CD1 ILE A 11 8.275 6.147 -7.176 1.00 45.33 C ATOM 0 H ILE A 11 8.141 2.303 -9.725 1.00 61.32 H new ATOM 0 HA ILE A 11 10.524 2.739 -8.020 1.00 12.43 H new ATOM 0 HB ILE A 11 7.624 3.437 -7.405 1.00 64.44 H new ATOM 0 HG12 ILE A 11 10.070 5.200 -7.829 1.00 61.02 H new ATOM 0 HG13 ILE A 11 8.724 5.036 -8.939 1.00 61.02 H new ATOM 0 HG21 ILE A 11 8.513 4.324 -5.279 1.00 73.44 H new ATOM 0 HG22 ILE A 11 8.791 2.572 -5.430 1.00 73.44 H new ATOM 0 HG23 ILE A 11 10.129 3.713 -5.704 1.00 73.44 H new ATOM 0 HD11 ILE A 11 8.541 7.097 -7.639 1.00 45.33 H new ATOM 0 HD12 ILE A 11 7.198 5.995 -7.253 1.00 45.33 H new ATOM 0 HD13 ILE A 11 8.566 6.161 -6.126 1.00 45.33 H new ATOM 176 N MET A 12 10.177 0.408 -7.182 1.00 32.12 N ATOM 177 CA MET A 12 10.027 -0.971 -6.716 1.00 64.54 C ATOM 178 C MET A 12 10.264 -1.049 -5.208 1.00 24.43 C ATOM 179 O MET A 12 11.250 -0.517 -4.693 1.00 53.41 O ATOM 180 CB MET A 12 10.993 -1.910 -7.469 1.00 44.34 C ATOM 181 CG MET A 12 12.481 -1.611 -7.257 1.00 33.31 C ATOM 182 SD MET A 12 13.353 -1.231 -8.800 1.00 64.35 S ATOM 183 CE MET A 12 12.582 0.317 -9.274 1.00 64.04 C ATOM 0 H MET A 12 11.142 0.739 -7.198 1.00 32.12 H new ATOM 0 HA MET A 12 9.008 -1.297 -6.924 1.00 64.54 H new ATOM 0 HB2 MET A 12 10.796 -2.936 -7.158 1.00 44.34 H new ATOM 0 HB3 MET A 12 10.774 -1.853 -8.535 1.00 44.34 H new ATOM 0 HG2 MET A 12 12.583 -0.770 -6.572 1.00 33.31 H new ATOM 0 HG3 MET A 12 12.954 -2.469 -6.780 1.00 33.31 H new ATOM 0 HE1 MET A 12 13.044 0.689 -10.188 1.00 64.04 H new ATOM 0 HE2 MET A 12 11.518 0.156 -9.445 1.00 64.04 H new ATOM 0 HE3 MET A 12 12.715 1.049 -8.477 1.00 64.04 H new ATOM 193 N ILE A 13 9.350 -1.708 -4.502 1.00 52.03 N ATOM 194 CA ILE A 13 9.404 -1.795 -3.043 1.00 21.44 C ATOM 195 C ILE A 13 9.564 -3.249 -2.606 1.00 4.25 C ATOM 196 O ILE A 13 8.625 -4.037 -2.698 1.00 12.13 O ATOM 197 CB ILE A 13 8.125 -1.208 -2.390 1.00 30.34 C ATOM 198 CG1 ILE A 13 7.782 0.163 -3.001 1.00 44.22 C ATOM 199 CG2 ILE A 13 8.299 -1.098 -0.871 1.00 43.43 C ATOM 200 CD1 ILE A 13 8.865 1.207 -2.832 1.00 22.01 C ATOM 0 H ILE A 13 8.556 -2.194 -4.919 1.00 52.03 H new ATOM 0 HA ILE A 13 10.263 -1.211 -2.713 1.00 21.44 H new ATOM 0 HB ILE A 13 7.295 -1.885 -2.591 1.00 30.34 H new ATOM 0 HG12 ILE A 13 7.580 0.034 -4.064 1.00 44.22 H new ATOM 0 HG13 ILE A 13 6.863 0.532 -2.545 1.00 44.22 H new ATOM 0 HG21 ILE A 13 7.392 -0.684 -0.430 1.00 43.43 H new ATOM 0 HG22 ILE A 13 8.487 -2.087 -0.454 1.00 43.43 H new ATOM 0 HG23 ILE A 13 9.142 -0.444 -0.648 1.00 43.43 H new ATOM 0 HD11 ILE A 13 8.543 2.142 -3.290 1.00 22.01 H new ATOM 0 HD12 ILE A 13 9.052 1.369 -1.770 1.00 22.01 H new ATOM 0 HD13 ILE A 13 9.780 0.863 -3.314 1.00 22.01 H new ATOM 212 N LEU A 14 10.764 -3.604 -2.159 1.00 4.32 N ATOM 213 CA LEU A 14 11.052 -4.965 -1.703 1.00 60.42 C ATOM 214 C LEU A 14 11.247 -4.981 -0.189 1.00 54.10 C ATOM 215 O LEU A 14 12.186 -4.369 0.328 1.00 62.22 O ATOM 216 CB LEU A 14 12.305 -5.526 -2.411 1.00 62.33 C ATOM 217 CG LEU A 14 12.124 -5.951 -3.885 1.00 11.40 C ATOM 218 CD1 LEU A 14 11.736 -4.767 -4.772 1.00 44.21 C ATOM 219 CD2 LEU A 14 13.394 -6.622 -4.408 1.00 24.30 C ATOM 0 H LEU A 14 11.558 -2.967 -2.102 1.00 4.32 H new ATOM 0 HA LEU A 14 10.204 -5.601 -1.957 1.00 60.42 H new ATOM 0 HB2 LEU A 14 13.090 -4.771 -2.366 1.00 62.33 H new ATOM 0 HB3 LEU A 14 12.660 -6.389 -1.847 1.00 62.33 H new ATOM 0 HG LEU A 14 11.306 -6.670 -3.923 1.00 11.40 H new ATOM 0 HD11 LEU A 14 11.618 -5.107 -5.801 1.00 44.21 H new ATOM 0 HD12 LEU A 14 10.796 -4.341 -4.420 1.00 44.21 H new ATOM 0 HD13 LEU A 14 12.517 -4.008 -4.728 1.00 44.21 H new ATOM 0 HD21 LEU A 14 13.249 -6.915 -5.448 1.00 24.30 H new ATOM 0 HD22 LEU A 14 14.228 -5.924 -4.341 1.00 24.30 H new ATOM 0 HD23 LEU A 14 13.612 -7.506 -3.809 1.00 24.30 H new ATOM 231 N ILE A 15 10.348 -5.665 0.517 1.00 21.34 N ATOM 232 CA ILE A 15 10.401 -5.750 1.975 1.00 34.20 C ATOM 233 C ILE A 15 9.799 -7.072 2.465 1.00 61.14 C ATOM 234 O ILE A 15 8.794 -7.533 1.927 1.00 54.14 O ATOM 235 CB ILE A 15 9.651 -4.559 2.631 1.00 21.01 C ATOM 236 CG1 ILE A 15 9.696 -4.668 4.166 1.00 50.00 C ATOM 237 CG2 ILE A 15 8.204 -4.485 2.130 1.00 11.33 C ATOM 238 CD1 ILE A 15 8.981 -3.543 4.884 1.00 42.02 C ATOM 0 H ILE A 15 9.568 -6.172 0.098 1.00 21.34 H new ATOM 0 HA ILE A 15 11.450 -5.707 2.269 1.00 34.20 H new ATOM 0 HB ILE A 15 10.155 -3.637 2.342 1.00 21.01 H new ATOM 0 HG12 ILE A 15 9.252 -5.617 4.466 1.00 50.00 H new ATOM 0 HG13 ILE A 15 10.737 -4.687 4.488 1.00 50.00 H new ATOM 0 HG21 ILE A 15 7.698 -3.643 2.603 1.00 11.33 H new ATOM 0 HG22 ILE A 15 8.200 -4.350 1.048 1.00 11.33 H new ATOM 0 HG23 ILE A 15 7.684 -5.409 2.382 1.00 11.33 H new ATOM 0 HD11 ILE A 15 9.058 -3.692 5.961 1.00 42.02 H new ATOM 0 HD12 ILE A 15 9.439 -2.591 4.616 1.00 42.02 H new ATOM 0 HD13 ILE A 15 7.931 -3.535 4.593 1.00 42.02 H new ATOM 250 N GLN A 16 10.436 -7.675 3.473 1.00 51.10 N ATOM 251 CA GLN A 16 9.949 -8.914 4.094 1.00 71.11 C ATOM 252 C GLN A 16 9.749 -10.023 3.058 1.00 40.43 C ATOM 253 O GLN A 16 8.780 -10.784 3.128 1.00 74.22 O ATOM 254 CB GLN A 16 8.638 -8.661 4.856 1.00 64.42 C ATOM 255 CG GLN A 16 8.807 -7.808 6.104 1.00 50.12 C ATOM 256 CD GLN A 16 9.788 -8.410 7.095 1.00 32.41 C ATOM 257 OE1 GLN A 16 10.984 -8.114 7.067 1.00 1.02 O ATOM 258 NE2 GLN A 16 9.298 -9.286 7.960 1.00 61.35 N ATOM 0 H GLN A 16 11.301 -7.321 3.882 1.00 51.10 H new ATOM 0 HA GLN A 16 10.711 -9.245 4.800 1.00 71.11 H new ATOM 0 HB2 GLN A 16 7.929 -8.173 4.187 1.00 64.42 H new ATOM 0 HB3 GLN A 16 8.202 -9.619 5.139 1.00 64.42 H new ATOM 0 HG2 GLN A 16 9.151 -6.814 5.817 1.00 50.12 H new ATOM 0 HG3 GLN A 16 7.838 -7.683 6.588 1.00 50.12 H new ATOM 0 HE21 GLN A 16 8.302 -9.506 7.954 1.00 61.35 H new ATOM 0 HE22 GLN A 16 9.917 -9.740 8.632 1.00 61.35 H new ATOM 267 N ASN A 17 10.679 -10.107 2.109 1.00 74.31 N ATOM 268 CA ASN A 17 10.644 -11.125 1.051 1.00 65.24 C ATOM 269 C ASN A 17 9.418 -10.939 0.156 1.00 22.13 C ATOM 270 O ASN A 17 9.052 -11.826 -0.620 1.00 64.01 O ATOM 271 CB ASN A 17 10.666 -12.546 1.648 1.00 64.00 C ATOM 272 CG ASN A 17 11.898 -12.808 2.504 1.00 10.35 C ATOM 273 OD1 ASN A 17 12.971 -12.245 2.269 1.00 23.41 O ATOM 274 ND2 ASN A 17 11.752 -13.665 3.503 1.00 4.45 N ATOM 0 H ASN A 17 11.477 -9.475 2.048 1.00 74.31 H new ATOM 0 HA ASN A 17 11.538 -11.000 0.440 1.00 65.24 H new ATOM 0 HB2 ASN A 17 9.771 -12.695 2.252 1.00 64.00 H new ATOM 0 HB3 ASN A 17 10.630 -13.276 0.839 1.00 64.00 H new ATOM 0 HD21 ASN A 17 12.543 -13.880 4.110 1.00 4.45 H new ATOM 0 HD22 ASN A 17 10.849 -14.110 3.665 1.00 4.45 H new ATOM 281 N ALA A 18 8.803 -9.767 0.257 1.00 61.14 N ATOM 282 CA ALA A 18 7.658 -9.415 -0.567 1.00 13.22 C ATOM 283 C ALA A 18 8.043 -8.300 -1.533 1.00 4.10 C ATOM 284 O ALA A 18 8.570 -7.266 -1.125 1.00 53.11 O ATOM 285 CB ALA A 18 6.483 -8.996 0.311 1.00 3.31 C ATOM 0 H ALA A 18 9.085 -9.037 0.911 1.00 61.14 H new ATOM 0 HA ALA A 18 7.351 -10.285 -1.147 1.00 13.22 H new ATOM 0 HB1 ALA A 18 5.633 -8.735 -0.319 1.00 3.31 H new ATOM 0 HB2 ALA A 18 6.208 -9.821 0.969 1.00 3.31 H new ATOM 0 HB3 ALA A 18 6.768 -8.132 0.912 1.00 3.31 H new ATOM 291 N GLU A 19 7.793 -8.528 -2.816 1.00 44.42 N ATOM 292 CA GLU A 19 8.163 -7.586 -3.867 1.00 63.53 C ATOM 293 C GLU A 19 6.928 -6.836 -4.355 1.00 61.21 C ATOM 294 O GLU A 19 5.916 -7.453 -4.696 1.00 65.53 O ATOM 295 CB GLU A 19 8.824 -8.346 -5.025 1.00 54.24 C ATOM 296 CG GLU A 19 9.373 -7.465 -6.138 1.00 22.15 C ATOM 297 CD GLU A 19 10.114 -8.274 -7.193 1.00 31.10 C ATOM 298 OE1 GLU A 19 9.448 -8.957 -8.005 1.00 30.35 O ATOM 299 OE2 GLU A 19 11.363 -8.266 -7.192 1.00 74.43 O ATOM 0 H GLU A 19 7.329 -9.369 -3.158 1.00 44.42 H new ATOM 0 HA GLU A 19 8.872 -6.859 -3.470 1.00 63.53 H new ATOM 0 HB2 GLU A 19 9.638 -8.951 -4.626 1.00 54.24 H new ATOM 0 HB3 GLU A 19 8.095 -9.034 -5.452 1.00 54.24 H new ATOM 0 HG2 GLU A 19 8.553 -6.921 -6.608 1.00 22.15 H new ATOM 0 HG3 GLU A 19 10.046 -6.721 -5.713 1.00 22.15 H new ATOM 306 N PHE A 20 7.013 -5.511 -4.376 1.00 74.52 N ATOM 307 CA PHE A 20 5.901 -4.663 -4.792 1.00 21.31 C ATOM 308 C PHE A 20 6.369 -3.613 -5.796 1.00 1.30 C ATOM 309 O PHE A 20 7.563 -3.333 -5.908 1.00 42.22 O ATOM 310 CB PHE A 20 5.280 -3.943 -3.585 1.00 64.23 C ATOM 311 CG PHE A 20 4.707 -4.858 -2.531 1.00 2.10 C ATOM 312 CD1 PHE A 20 3.425 -5.374 -2.661 1.00 24.40 C ATOM 313 CD2 PHE A 20 5.446 -5.194 -1.404 1.00 32.30 C ATOM 314 CE1 PHE A 20 2.893 -6.206 -1.693 1.00 22.34 C ATOM 315 CE2 PHE A 20 4.919 -6.025 -0.435 1.00 22.42 C ATOM 316 CZ PHE A 20 3.641 -6.534 -0.579 1.00 23.24 C ATOM 0 H PHE A 20 7.851 -4.995 -4.106 1.00 74.52 H new ATOM 0 HA PHE A 20 5.155 -5.309 -5.255 1.00 21.31 H new ATOM 0 HB2 PHE A 20 6.041 -3.312 -3.125 1.00 64.23 H new ATOM 0 HB3 PHE A 20 4.490 -3.282 -3.941 1.00 64.23 H new ATOM 0 HD1 PHE A 20 2.835 -5.122 -3.530 1.00 24.40 H new ATOM 0 HD2 PHE A 20 6.445 -4.801 -1.284 1.00 32.30 H new ATOM 0 HE1 PHE A 20 1.894 -6.599 -1.808 1.00 22.34 H new ATOM 0 HE2 PHE A 20 5.505 -6.278 0.436 1.00 22.42 H new ATOM 0 HZ PHE A 20 3.229 -7.186 0.177 1.00 23.24 H new ATOM 326 N GLU A 21 5.418 -3.037 -6.520 1.00 12.04 N ATOM 327 CA GLU A 21 5.675 -1.877 -7.371 1.00 3.13 C ATOM 328 C GLU A 21 4.639 -0.794 -7.074 1.00 63.03 C ATOM 329 O GLU A 21 3.451 -1.090 -6.920 1.00 75.21 O ATOM 330 CB GLU A 21 5.651 -2.268 -8.863 1.00 54.24 C ATOM 331 CG GLU A 21 4.348 -2.919 -9.329 1.00 50.43 C ATOM 332 CD GLU A 21 4.339 -3.224 -10.824 1.00 74.02 C ATOM 333 OE1 GLU A 21 5.317 -3.825 -11.321 1.00 34.10 O ATOM 334 OE2 GLU A 21 3.345 -2.888 -11.512 1.00 12.12 O ATOM 0 H GLU A 21 4.450 -3.357 -6.536 1.00 12.04 H new ATOM 0 HA GLU A 21 6.670 -1.490 -7.153 1.00 3.13 H new ATOM 0 HB2 GLU A 21 5.830 -1.375 -9.462 1.00 54.24 H new ATOM 0 HB3 GLU A 21 6.475 -2.954 -9.059 1.00 54.24 H new ATOM 0 HG2 GLU A 21 4.191 -3.844 -8.774 1.00 50.43 H new ATOM 0 HG3 GLU A 21 3.513 -2.259 -9.093 1.00 50.43 H new ATOM 341 N LEU A 22 5.095 0.449 -6.950 1.00 25.23 N ATOM 342 CA LEU A 22 4.198 1.571 -6.685 1.00 35.50 C ATOM 343 C LEU A 22 3.412 1.910 -7.947 1.00 43.34 C ATOM 344 O LEU A 22 3.926 2.561 -8.858 1.00 13.50 O ATOM 345 CB LEU A 22 4.991 2.798 -6.199 1.00 12.25 C ATOM 346 CG LEU A 22 4.144 4.049 -5.887 1.00 41.53 C ATOM 347 CD1 LEU A 22 3.159 3.775 -4.756 1.00 63.12 C ATOM 348 CD2 LEU A 22 5.040 5.237 -5.551 1.00 62.44 C ATOM 0 H LEU A 22 6.079 0.705 -7.029 1.00 25.23 H new ATOM 0 HA LEU A 22 3.501 1.286 -5.897 1.00 35.50 H new ATOM 0 HB2 LEU A 22 5.544 2.521 -5.301 1.00 12.25 H new ATOM 0 HB3 LEU A 22 5.728 3.058 -6.959 1.00 12.25 H new ATOM 0 HG LEU A 22 3.569 4.298 -6.779 1.00 41.53 H new ATOM 0 HD11 LEU A 22 2.575 4.673 -4.557 1.00 63.12 H new ATOM 0 HD12 LEU A 22 2.490 2.964 -5.044 1.00 63.12 H new ATOM 0 HD13 LEU A 22 3.707 3.491 -3.857 1.00 63.12 H new ATOM 0 HD21 LEU A 22 4.422 6.109 -5.334 1.00 62.44 H new ATOM 0 HD22 LEU A 22 5.649 4.998 -4.679 1.00 62.44 H new ATOM 0 HD23 LEU A 22 5.689 5.454 -6.399 1.00 62.44 H new ATOM 360 N VAL A 23 2.168 1.450 -8.000 1.00 35.33 N ATOM 361 CA VAL A 23 1.347 1.597 -9.198 1.00 60.01 C ATOM 362 C VAL A 23 0.567 2.908 -9.198 1.00 12.33 C ATOM 363 O VAL A 23 0.240 3.438 -10.260 1.00 34.14 O ATOM 364 CB VAL A 23 0.363 0.411 -9.360 1.00 64.01 C ATOM 365 CG1 VAL A 23 1.130 -0.893 -9.558 1.00 35.30 C ATOM 366 CG2 VAL A 23 -0.581 0.307 -8.161 1.00 21.21 C ATOM 0 H VAL A 23 1.704 0.972 -7.228 1.00 35.33 H new ATOM 0 HA VAL A 23 2.036 1.605 -10.043 1.00 60.01 H new ATOM 0 HB VAL A 23 -0.245 0.595 -10.246 1.00 64.01 H new ATOM 0 HG11 VAL A 23 0.425 -1.716 -9.670 1.00 35.30 H new ATOM 0 HG12 VAL A 23 1.748 -0.820 -10.453 1.00 35.30 H new ATOM 0 HG13 VAL A 23 1.766 -1.076 -8.692 1.00 35.30 H new ATOM 0 HG21 VAL A 23 -1.259 -0.534 -8.304 1.00 21.21 H new ATOM 0 HG22 VAL A 23 0.001 0.154 -7.252 1.00 21.21 H new ATOM 0 HG23 VAL A 23 -1.158 1.227 -8.071 1.00 21.21 H new ATOM 376 N HIS A 24 0.282 3.441 -8.013 1.00 34.41 N ATOM 377 CA HIS A 24 -0.512 4.663 -7.901 1.00 74.33 C ATOM 378 C HIS A 24 -0.063 5.499 -6.707 1.00 75.22 C ATOM 379 O HIS A 24 0.150 4.971 -5.617 1.00 71.25 O ATOM 380 CB HIS A 24 -2.003 4.318 -7.775 1.00 74.13 C ATOM 381 CG HIS A 24 -2.922 5.507 -7.850 1.00 51.42 C ATOM 382 ND1 HIS A 24 -3.227 6.146 -9.033 1.00 30.43 N ATOM 383 CD2 HIS A 24 -3.616 6.162 -6.887 1.00 0.02 C ATOM 384 CE1 HIS A 24 -4.064 7.140 -8.794 1.00 30.43 C ATOM 385 NE2 HIS A 24 -4.320 7.171 -7.500 1.00 72.13 N ATOM 0 H HIS A 24 0.586 3.050 -7.122 1.00 34.41 H new ATOM 0 HA HIS A 24 -0.359 5.251 -8.806 1.00 74.33 H new ATOM 0 HB2 HIS A 24 -2.270 3.617 -8.566 1.00 74.13 H new ATOM 0 HB3 HIS A 24 -2.167 3.806 -6.827 1.00 74.13 H new ATOM 0 HD1 HIS A 24 -2.863 5.891 -9.951 1.00 30.43 H new ATOM 0 HD2 HIS A 24 -3.616 5.933 -5.832 1.00 0.02 H new ATOM 0 HE1 HIS A 24 -4.470 7.814 -9.534 1.00 30.43 H new ATOM 394 N ASN A 25 0.074 6.802 -6.925 1.00 43.02 N ATOM 395 CA ASN A 25 0.447 7.744 -5.869 1.00 22.44 C ATOM 396 C ASN A 25 -0.521 8.923 -5.891 1.00 61.42 C ATOM 397 O ASN A 25 -0.928 9.375 -6.965 1.00 42.40 O ATOM 398 CB ASN A 25 1.891 8.236 -6.067 1.00 3.54 C ATOM 399 CG ASN A 25 2.429 9.035 -4.882 1.00 25.45 C ATOM 400 OD1 ASN A 25 1.674 9.616 -4.103 1.00 33.01 O ATOM 401 ND2 ASN A 25 3.746 9.081 -4.751 1.00 60.01 N ATOM 0 H ASN A 25 -0.069 7.237 -7.836 1.00 43.02 H new ATOM 0 HA ASN A 25 0.392 7.242 -4.903 1.00 22.44 H new ATOM 0 HB2 ASN A 25 2.539 7.377 -6.240 1.00 3.54 H new ATOM 0 HB3 ASN A 25 1.936 8.855 -6.963 1.00 3.54 H new ATOM 0 HD21 ASN A 25 4.164 9.610 -3.986 1.00 60.01 H new ATOM 0 HD22 ASN A 25 4.342 8.587 -5.415 1.00 60.01 H new ATOM 408 N PHE A 26 -0.888 9.414 -4.714 1.00 62.23 N ATOM 409 CA PHE A 26 -1.860 10.495 -4.587 1.00 64.22 C ATOM 410 C PHE A 26 -1.334 11.555 -3.622 1.00 34.13 C ATOM 411 O PHE A 26 -1.132 11.270 -2.440 1.00 52.25 O ATOM 412 CB PHE A 26 -3.192 9.914 -4.087 1.00 73.11 C ATOM 413 CG PHE A 26 -4.357 10.880 -4.073 1.00 34.01 C ATOM 414 CD1 PHE A 26 -4.994 11.237 -5.254 1.00 22.32 C ATOM 415 CD2 PHE A 26 -4.835 11.408 -2.877 1.00 54.15 C ATOM 416 CE1 PHE A 26 -6.075 12.098 -5.243 1.00 32.30 C ATOM 417 CE2 PHE A 26 -5.917 12.265 -2.864 1.00 2.42 C ATOM 418 CZ PHE A 26 -6.537 12.612 -4.048 1.00 35.11 C ATOM 0 H PHE A 26 -0.523 9.077 -3.823 1.00 62.23 H new ATOM 0 HA PHE A 26 -2.020 10.968 -5.556 1.00 64.22 H new ATOM 0 HB2 PHE A 26 -3.456 9.062 -4.714 1.00 73.11 H new ATOM 0 HB3 PHE A 26 -3.046 9.533 -3.076 1.00 73.11 H new ATOM 0 HD1 PHE A 26 -4.640 10.837 -6.193 1.00 22.32 H new ATOM 0 HD2 PHE A 26 -4.353 11.144 -1.947 1.00 54.15 H new ATOM 0 HE1 PHE A 26 -6.559 12.369 -6.170 1.00 32.30 H new ATOM 0 HE2 PHE A 26 -6.279 12.664 -1.928 1.00 2.42 H new ATOM 0 HZ PHE A 26 -7.382 13.284 -4.039 1.00 35.11 H new ATOM 428 N LYS A 27 -1.092 12.765 -4.142 1.00 12.15 N ATOM 429 CA LYS A 27 -0.555 13.881 -3.347 1.00 55.05 C ATOM 430 C LYS A 27 0.808 13.527 -2.753 1.00 61.41 C ATOM 431 O LYS A 27 1.195 14.045 -1.701 1.00 11.20 O ATOM 432 CB LYS A 27 -1.542 14.299 -2.235 1.00 11.42 C ATOM 433 CG LYS A 27 -2.668 15.226 -2.701 1.00 41.22 C ATOM 434 CD LYS A 27 -3.481 14.619 -3.837 1.00 71.22 C ATOM 435 CE LYS A 27 -4.607 15.538 -4.293 1.00 74.12 C ATOM 436 NZ LYS A 27 -4.098 16.844 -4.793 1.00 55.44 N ATOM 0 H LYS A 27 -1.261 12.999 -5.120 1.00 12.15 H new ATOM 0 HA LYS A 27 -0.423 14.730 -4.018 1.00 55.05 H new ATOM 0 HB2 LYS A 27 -1.983 13.401 -1.802 1.00 11.42 H new ATOM 0 HB3 LYS A 27 -0.985 14.795 -1.440 1.00 11.42 H new ATOM 0 HG2 LYS A 27 -3.327 15.444 -1.861 1.00 41.22 H new ATOM 0 HG3 LYS A 27 -2.243 16.175 -3.028 1.00 41.22 H new ATOM 0 HD2 LYS A 27 -2.823 14.407 -4.680 1.00 71.22 H new ATOM 0 HD3 LYS A 27 -3.900 13.666 -3.513 1.00 71.22 H new ATOM 0 HE2 LYS A 27 -5.178 15.047 -5.081 1.00 74.12 H new ATOM 0 HE3 LYS A 27 -5.292 15.711 -3.463 1.00 74.12 H new ATOM 0 HZ1 LYS A 27 -4.869 17.361 -5.262 1.00 55.44 H new ATOM 0 HZ2 LYS A 27 -3.740 17.406 -3.994 1.00 55.44 H new ATOM 0 HZ3 LYS A 27 -3.328 16.679 -5.473 1.00 55.44 H new ATOM 450 N ASP A 28 1.530 12.647 -3.445 1.00 33.10 N ATOM 451 CA ASP A 28 2.883 12.243 -3.047 1.00 43.44 C ATOM 452 C ASP A 28 2.878 11.643 -1.637 1.00 55.12 C ATOM 453 O ASP A 28 3.859 11.729 -0.902 1.00 51.23 O ATOM 454 CB ASP A 28 3.848 13.439 -3.135 1.00 21.51 C ATOM 455 CG ASP A 28 5.308 13.032 -2.977 1.00 2.15 C ATOM 456 OD1 ASP A 28 5.867 12.427 -3.919 1.00 22.12 O ATOM 457 OD2 ASP A 28 5.908 13.317 -1.919 1.00 64.21 O ATOM 0 H ASP A 28 1.197 12.193 -4.296 1.00 33.10 H new ATOM 0 HA ASP A 28 3.231 11.473 -3.736 1.00 43.44 H new ATOM 0 HB2 ASP A 28 3.716 13.937 -4.096 1.00 21.51 H new ATOM 0 HB3 ASP A 28 3.592 14.164 -2.363 1.00 21.51 H new ATOM 462 N GLY A 29 1.773 10.990 -1.290 1.00 74.25 N ATOM 463 CA GLY A 29 1.637 10.382 0.025 1.00 65.54 C ATOM 464 C GLY A 29 2.583 9.214 0.241 1.00 52.01 C ATOM 465 O GLY A 29 2.643 8.646 1.330 1.00 44.31 O ATOM 0 H GLY A 29 0.964 10.870 -1.899 1.00 74.25 H new ATOM 0 HA2 GLY A 29 1.821 11.137 0.789 1.00 65.54 H new ATOM 0 HA3 GLY A 29 0.610 10.040 0.156 1.00 65.54 H new ATOM 469 N PHE A 30 3.318 8.846 -0.800 1.00 4.34 N ATOM 470 CA PHE A 30 4.280 7.762 -0.704 1.00 33.22 C ATOM 471 C PHE A 30 5.506 8.189 0.105 1.00 53.42 C ATOM 472 O PHE A 30 6.266 9.065 -0.315 1.00 52.41 O ATOM 473 CB PHE A 30 4.707 7.292 -2.102 1.00 5.02 C ATOM 474 CG PHE A 30 5.783 6.234 -2.072 1.00 24.32 C ATOM 475 CD1 PHE A 30 5.490 4.944 -1.653 1.00 75.44 C ATOM 476 CD2 PHE A 30 7.087 6.533 -2.444 1.00 20.11 C ATOM 477 CE1 PHE A 30 6.475 3.976 -1.610 1.00 74.20 C ATOM 478 CE2 PHE A 30 8.074 5.569 -2.399 1.00 73.23 C ATOM 479 CZ PHE A 30 7.766 4.289 -1.982 1.00 23.54 C ATOM 0 H PHE A 30 3.265 9.284 -1.720 1.00 4.34 H new ATOM 0 HA PHE A 30 3.798 6.932 -0.187 1.00 33.22 H new ATOM 0 HB2 PHE A 30 3.836 6.900 -2.628 1.00 5.02 H new ATOM 0 HB3 PHE A 30 5.065 8.149 -2.672 1.00 5.02 H new ATOM 0 HD1 PHE A 30 4.482 4.694 -1.357 1.00 75.44 H new ATOM 0 HD2 PHE A 30 7.332 7.532 -2.773 1.00 20.11 H new ATOM 0 HE1 PHE A 30 6.234 2.975 -1.285 1.00 74.20 H new ATOM 0 HE2 PHE A 30 9.085 5.815 -2.689 1.00 73.23 H new ATOM 0 HZ PHE A 30 8.536 3.533 -1.947 1.00 23.54 H new ATOM 489 N ASN A 31 5.676 7.578 1.272 1.00 41.51 N ATOM 490 CA ASN A 31 6.871 7.769 2.091 1.00 1.04 C ATOM 491 C ASN A 31 7.332 6.404 2.608 1.00 50.23 C ATOM 492 O ASN A 31 6.744 5.853 3.542 1.00 42.00 O ATOM 493 CB ASN A 31 6.590 8.743 3.250 1.00 13.00 C ATOM 494 CG ASN A 31 7.826 9.039 4.083 1.00 52.33 C ATOM 495 OD1 ASN A 31 8.953 8.943 3.597 1.00 32.24 O ATOM 496 ND2 ASN A 31 7.628 9.431 5.334 1.00 53.42 N ATOM 0 H ASN A 31 4.993 6.938 1.677 1.00 41.51 H new ATOM 0 HA ASN A 31 7.665 8.212 1.489 1.00 1.04 H new ATOM 0 HB2 ASN A 31 6.197 9.676 2.847 1.00 13.00 H new ATOM 0 HB3 ASN A 31 5.816 8.322 3.893 1.00 13.00 H new ATOM 0 HD21 ASN A 31 8.424 9.665 5.927 1.00 53.42 H new ATOM 0 HD22 ASN A 31 6.680 9.499 5.703 1.00 53.42 H new ATOM 503 N GLU A 32 8.372 5.862 1.976 1.00 24.23 N ATOM 504 CA GLU A 32 8.775 4.468 2.178 1.00 61.24 C ATOM 505 C GLU A 32 9.117 4.175 3.639 1.00 70.51 C ATOM 506 O GLU A 32 8.737 3.129 4.167 1.00 41.52 O ATOM 507 CB GLU A 32 9.966 4.118 1.275 1.00 13.42 C ATOM 508 CG GLU A 32 10.308 2.631 1.256 1.00 35.21 C ATOM 509 CD GLU A 32 11.504 2.311 0.372 1.00 71.33 C ATOM 510 OE1 GLU A 32 11.342 2.262 -0.867 1.00 53.34 O ATOM 511 OE2 GLU A 32 12.609 2.085 0.912 1.00 70.21 O ATOM 0 H GLU A 32 8.957 6.371 1.313 1.00 24.23 H new ATOM 0 HA GLU A 32 7.924 3.843 1.908 1.00 61.24 H new ATOM 0 HB2 GLU A 32 9.747 4.444 0.258 1.00 13.42 H new ATOM 0 HB3 GLU A 32 10.840 4.678 1.608 1.00 13.42 H new ATOM 0 HG2 GLU A 32 10.515 2.298 2.273 1.00 35.21 H new ATOM 0 HG3 GLU A 32 9.443 2.069 0.906 1.00 35.21 H new ATOM 518 N GLU A 33 9.825 5.096 4.291 1.00 50.43 N ATOM 519 CA GLU A 33 10.210 4.921 5.695 1.00 43.51 C ATOM 520 C GLU A 33 8.982 4.656 6.571 1.00 55.24 C ATOM 521 O GLU A 33 9.005 3.793 7.451 1.00 11.32 O ATOM 522 CB GLU A 33 10.968 6.153 6.210 1.00 71.02 C ATOM 523 CG GLU A 33 10.205 7.460 6.032 1.00 34.23 C ATOM 524 CD GLU A 33 10.866 8.643 6.724 1.00 51.43 C ATOM 525 OE1 GLU A 33 12.095 8.813 6.584 1.00 5.35 O ATOM 526 OE2 GLU A 33 10.155 9.414 7.399 1.00 33.44 O ATOM 0 H GLU A 33 10.144 5.970 3.873 1.00 50.43 H new ATOM 0 HA GLU A 33 10.870 4.055 5.753 1.00 43.51 H new ATOM 0 HB2 GLU A 33 11.192 6.015 7.268 1.00 71.02 H new ATOM 0 HB3 GLU A 33 11.922 6.226 5.688 1.00 71.02 H new ATOM 0 HG2 GLU A 33 10.112 7.676 4.968 1.00 34.23 H new ATOM 0 HG3 GLU A 33 9.194 7.338 6.422 1.00 34.23 H new ATOM 533 N ALA A 34 7.907 5.390 6.309 1.00 43.31 N ATOM 534 CA ALA A 34 6.680 5.258 7.084 1.00 43.51 C ATOM 535 C ALA A 34 5.933 3.983 6.693 1.00 22.31 C ATOM 536 O ALA A 34 5.266 3.364 7.524 1.00 71.44 O ATOM 537 CB ALA A 34 5.805 6.490 6.890 1.00 23.33 C ATOM 0 H ALA A 34 7.861 6.085 5.563 1.00 43.31 H new ATOM 0 HA ALA A 34 6.935 5.183 8.141 1.00 43.51 H new ATOM 0 HB1 ALA A 34 4.890 6.382 7.473 1.00 23.33 H new ATOM 0 HB2 ALA A 34 6.345 7.376 7.223 1.00 23.33 H new ATOM 0 HB3 ALA A 34 5.552 6.594 5.835 1.00 23.33 H new ATOM 543 N PHE A 35 6.066 3.595 5.426 1.00 50.23 N ATOM 544 CA PHE A 35 5.452 2.370 4.917 1.00 54.32 C ATOM 545 C PHE A 35 6.032 1.143 5.622 1.00 74.43 C ATOM 546 O PHE A 35 5.310 0.384 6.272 1.00 0.24 O ATOM 547 CB PHE A 35 5.664 2.260 3.395 1.00 75.11 C ATOM 548 CG PHE A 35 5.304 0.908 2.819 1.00 40.24 C ATOM 549 CD1 PHE A 35 3.986 0.582 2.543 1.00 51.31 C ATOM 550 CD2 PHE A 35 6.291 -0.038 2.560 1.00 2.22 C ATOM 551 CE1 PHE A 35 3.658 -0.656 2.020 1.00 23.15 C ATOM 552 CE2 PHE A 35 5.966 -1.274 2.036 1.00 32.41 C ATOM 553 CZ PHE A 35 4.649 -1.584 1.766 1.00 11.44 C ATOM 0 H PHE A 35 6.598 4.116 4.728 1.00 50.23 H new ATOM 0 HA PHE A 35 4.382 2.411 5.121 1.00 54.32 H new ATOM 0 HB2 PHE A 35 5.067 3.025 2.899 1.00 75.11 H new ATOM 0 HB3 PHE A 35 6.708 2.474 3.168 1.00 75.11 H new ATOM 0 HD1 PHE A 35 3.206 1.303 2.738 1.00 51.31 H new ATOM 0 HD2 PHE A 35 7.324 0.197 2.771 1.00 2.22 H new ATOM 0 HE1 PHE A 35 2.626 -0.897 1.810 1.00 23.15 H new ATOM 0 HE2 PHE A 35 6.743 -1.998 1.838 1.00 32.41 H new ATOM 0 HZ PHE A 35 4.393 -2.550 1.357 1.00 11.44 H new ATOM 563 N LYS A 36 7.345 0.972 5.497 1.00 65.24 N ATOM 564 CA LYS A 36 8.034 -0.195 6.044 1.00 22.14 C ATOM 565 C LYS A 36 7.878 -0.269 7.562 1.00 64.24 C ATOM 566 O LYS A 36 7.843 -1.358 8.138 1.00 22.31 O ATOM 567 CB LYS A 36 9.518 -0.173 5.638 1.00 23.32 C ATOM 568 CG LYS A 36 10.259 1.105 6.022 1.00 31.30 C ATOM 569 CD LYS A 36 11.615 1.206 5.326 1.00 1.22 C ATOM 570 CE LYS A 36 12.602 0.151 5.820 1.00 74.10 C ATOM 571 NZ LYS A 36 13.024 0.402 7.224 1.00 3.24 N ATOM 0 H LYS A 36 7.958 1.632 5.018 1.00 65.24 H new ATOM 0 HA LYS A 36 7.575 -1.092 5.627 1.00 22.14 H new ATOM 0 HB2 LYS A 36 10.021 -1.023 6.100 1.00 23.32 H new ATOM 0 HB3 LYS A 36 9.589 -0.309 4.559 1.00 23.32 H new ATOM 0 HG2 LYS A 36 9.651 1.971 5.760 1.00 31.30 H new ATOM 0 HG3 LYS A 36 10.402 1.131 7.102 1.00 31.30 H new ATOM 0 HD2 LYS A 36 11.477 1.096 4.250 1.00 1.22 H new ATOM 0 HD3 LYS A 36 12.034 2.198 5.494 1.00 1.22 H new ATOM 0 HE2 LYS A 36 12.145 -0.836 5.749 1.00 74.10 H new ATOM 0 HE3 LYS A 36 13.479 0.143 5.173 1.00 74.10 H new ATOM 0 HZ1 LYS A 36 13.792 -0.252 7.478 1.00 3.24 H new ATOM 0 HZ2 LYS A 36 13.359 1.382 7.316 1.00 3.24 H new ATOM 0 HZ3 LYS A 36 12.216 0.251 7.862 1.00 3.24 H new ATOM 585 N ALA A 37 7.757 0.892 8.198 1.00 51.11 N ATOM 586 CA ALA A 37 7.570 0.963 9.643 1.00 62.33 C ATOM 587 C ALA A 37 6.218 0.371 10.051 1.00 3.44 C ATOM 588 O ALA A 37 6.091 -0.243 11.115 1.00 74.42 O ATOM 589 CB ALA A 37 7.684 2.408 10.118 1.00 12.31 C ATOM 0 H ALA A 37 7.785 1.800 7.733 1.00 51.11 H new ATOM 0 HA ALA A 37 8.353 0.373 10.119 1.00 62.33 H new ATOM 0 HB1 ALA A 37 7.543 2.448 11.198 1.00 12.31 H new ATOM 0 HB2 ALA A 37 8.671 2.797 9.866 1.00 12.31 H new ATOM 0 HB3 ALA A 37 6.920 3.013 9.629 1.00 12.31 H new ATOM 595 N ARG A 38 5.215 0.541 9.188 1.00 60.12 N ATOM 596 CA ARG A 38 3.847 0.114 9.487 1.00 72.30 C ATOM 597 C ARG A 38 3.498 -1.181 8.760 1.00 53.45 C ATOM 598 O ARG A 38 2.355 -1.644 8.814 1.00 14.31 O ATOM 599 CB ARG A 38 2.858 1.224 9.096 1.00 3.22 C ATOM 600 CG ARG A 38 3.028 2.522 9.889 1.00 73.33 C ATOM 601 CD ARG A 38 2.447 2.435 11.301 1.00 24.35 C ATOM 602 NE ARG A 38 3.104 1.419 12.132 1.00 33.41 N ATOM 603 CZ ARG A 38 3.714 1.670 13.291 1.00 20.32 C ATOM 604 NH1 ARG A 38 3.786 2.911 13.759 1.00 5.51 N ATOM 605 NH2 ARG A 38 4.255 0.677 13.978 1.00 12.13 N ATOM 0 H ARG A 38 5.326 0.974 8.271 1.00 60.12 H new ATOM 0 HA ARG A 38 3.776 -0.075 10.558 1.00 72.30 H new ATOM 0 HB2 ARG A 38 2.974 1.442 8.034 1.00 3.22 H new ATOM 0 HB3 ARG A 38 1.842 0.856 9.236 1.00 3.22 H new ATOM 0 HG2 ARG A 38 4.088 2.768 9.952 1.00 73.33 H new ATOM 0 HG3 ARG A 38 2.543 3.337 9.351 1.00 73.33 H new ATOM 0 HD2 ARG A 38 2.539 3.407 11.786 1.00 24.35 H new ATOM 0 HD3 ARG A 38 1.382 2.210 11.236 1.00 24.35 H new ATOM 0 HE ARG A 38 3.093 0.455 11.800 1.00 33.41 H new ATOM 0 HH11 ARG A 38 3.373 3.680 13.231 1.00 5.51 H new ATOM 0 HH12 ARG A 38 4.254 3.095 14.646 1.00 5.51 H new ATOM 0 HH21 ARG A 38 4.205 -0.277 13.621 1.00 12.13 H new ATOM 0 HH22 ARG A 38 4.722 0.866 14.865 1.00 12.13 H new ATOM 619 N TYR A 39 4.485 -1.771 8.090 1.00 2.41 N ATOM 620 CA TYR A 39 4.259 -2.980 7.305 1.00 51.52 C ATOM 621 C TYR A 39 4.204 -4.218 8.201 1.00 50.45 C ATOM 622 O TYR A 39 4.807 -4.257 9.278 1.00 41.51 O ATOM 623 CB TYR A 39 5.351 -3.137 6.237 1.00 31.34 C ATOM 624 CG TYR A 39 5.114 -4.296 5.280 1.00 44.13 C ATOM 625 CD1 TYR A 39 4.214 -4.179 4.224 1.00 33.40 C ATOM 626 CD2 TYR A 39 5.782 -5.507 5.438 1.00 53.14 C ATOM 627 CE1 TYR A 39 3.988 -5.232 3.358 1.00 2.02 C ATOM 628 CE2 TYR A 39 5.559 -6.563 4.578 1.00 1.44 C ATOM 629 CZ TYR A 39 4.660 -6.422 3.541 1.00 43.43 C ATOM 630 OH TYR A 39 4.435 -7.476 2.685 1.00 72.41 O ATOM 0 H TYR A 39 5.447 -1.432 8.075 1.00 2.41 H new ATOM 0 HA TYR A 39 3.294 -2.883 6.807 1.00 51.52 H new ATOM 0 HB2 TYR A 39 5.420 -2.213 5.663 1.00 31.34 H new ATOM 0 HB3 TYR A 39 6.312 -3.278 6.732 1.00 31.34 H new ATOM 0 HD1 TYR A 39 3.683 -3.249 4.079 1.00 33.40 H new ATOM 0 HD2 TYR A 39 6.487 -5.622 6.248 1.00 53.14 H new ATOM 0 HE1 TYR A 39 3.289 -5.123 2.542 1.00 2.02 H new ATOM 0 HE2 TYR A 39 6.086 -7.496 4.716 1.00 1.44 H new ATOM 0 HH TYR A 39 4.376 -7.143 1.765 1.00 72.41 H new ATOM 640 N SER A 40 3.462 -5.220 7.744 1.00 44.31 N ATOM 641 CA SER A 40 3.334 -6.491 8.443 1.00 51.34 C ATOM 642 C SER A 40 3.295 -7.630 7.423 1.00 55.24 C ATOM 643 O SER A 40 2.780 -7.460 6.318 1.00 40.51 O ATOM 644 CB SER A 40 2.067 -6.495 9.309 1.00 0.20 C ATOM 645 OG SER A 40 1.913 -7.729 9.997 1.00 45.44 O ATOM 0 H SER A 40 2.931 -5.172 6.875 1.00 44.31 H new ATOM 0 HA SER A 40 4.193 -6.632 9.099 1.00 51.34 H new ATOM 0 HB2 SER A 40 2.114 -5.678 10.029 1.00 0.20 H new ATOM 0 HB3 SER A 40 1.194 -6.316 8.681 1.00 0.20 H new ATOM 0 HG SER A 40 1.099 -7.701 10.541 1.00 45.44 H new ATOM 651 N ASP A 41 3.838 -8.786 7.801 1.00 34.41 N ATOM 652 CA ASP A 41 3.930 -9.937 6.900 1.00 42.22 C ATOM 653 C ASP A 41 2.544 -10.399 6.453 1.00 75.05 C ATOM 654 O ASP A 41 2.379 -10.955 5.366 1.00 25.30 O ATOM 655 CB ASP A 41 4.673 -11.099 7.582 1.00 74.12 C ATOM 656 CG ASP A 41 6.122 -10.766 7.908 1.00 31.40 C ATOM 657 OD1 ASP A 41 6.969 -10.822 6.995 1.00 30.53 O ATOM 658 OD2 ASP A 41 6.424 -10.451 9.086 1.00 1.31 O ATOM 0 H ASP A 41 4.223 -8.952 8.731 1.00 34.41 H new ATOM 0 HA ASP A 41 4.490 -9.624 6.019 1.00 42.22 H new ATOM 0 HB2 ASP A 41 4.152 -11.367 8.501 1.00 74.12 H new ATOM 0 HB3 ASP A 41 4.644 -11.973 6.932 1.00 74.12 H new ATOM 663 N ILE A 42 1.545 -10.148 7.297 1.00 43.13 N ATOM 664 CA ILE A 42 0.167 -10.550 7.011 1.00 63.43 C ATOM 665 C ILE A 42 -0.355 -9.865 5.743 1.00 63.15 C ATOM 666 O ILE A 42 -1.233 -10.383 5.053 1.00 25.32 O ATOM 667 CB ILE A 42 -0.767 -10.215 8.209 1.00 44.55 C ATOM 668 CG1 ILE A 42 -2.185 -10.779 7.982 1.00 65.52 C ATOM 669 CG2 ILE A 42 -0.822 -8.706 8.450 1.00 5.21 C ATOM 670 CD1 ILE A 42 -2.241 -12.293 7.891 1.00 12.13 C ATOM 0 H ILE A 42 1.664 -9.666 8.188 1.00 43.13 H new ATOM 0 HA ILE A 42 0.166 -11.628 6.852 1.00 63.43 H new ATOM 0 HB ILE A 42 -0.352 -10.690 9.098 1.00 44.55 H new ATOM 0 HG12 ILE A 42 -2.830 -10.450 8.797 1.00 65.52 H new ATOM 0 HG13 ILE A 42 -2.591 -10.355 7.063 1.00 65.52 H new ATOM 0 HG21 ILE A 42 -1.481 -8.496 9.292 1.00 5.21 H new ATOM 0 HG22 ILE A 42 0.179 -8.336 8.672 1.00 5.21 H new ATOM 0 HG23 ILE A 42 -1.203 -8.209 7.558 1.00 5.21 H new ATOM 0 HD11 ILE A 42 -3.272 -12.610 7.731 1.00 12.13 H new ATOM 0 HD12 ILE A 42 -1.624 -12.631 7.058 1.00 12.13 H new ATOM 0 HD13 ILE A 42 -1.868 -12.727 8.818 1.00 12.13 H new ATOM 682 N LEU A 43 0.221 -8.709 5.426 1.00 64.43 N ATOM 683 CA LEU A 43 -0.243 -7.890 4.313 1.00 73.12 C ATOM 684 C LEU A 43 0.094 -8.527 2.960 1.00 34.34 C ATOM 685 O LEU A 43 -0.561 -8.248 1.953 1.00 44.43 O ATOM 686 CB LEU A 43 0.368 -6.489 4.420 1.00 31.34 C ATOM 687 CG LEU A 43 -0.005 -5.711 5.693 1.00 71.44 C ATOM 688 CD1 LEU A 43 0.670 -4.343 5.705 1.00 43.22 C ATOM 689 CD2 LEU A 43 -1.523 -5.567 5.818 1.00 52.55 C ATOM 0 H LEU A 43 1.016 -8.317 5.930 1.00 64.43 H new ATOM 0 HA LEU A 43 -1.329 -7.817 4.370 1.00 73.12 H new ATOM 0 HB2 LEU A 43 1.453 -6.578 4.372 1.00 31.34 H new ATOM 0 HB3 LEU A 43 0.057 -5.907 3.553 1.00 31.34 H new ATOM 0 HG LEU A 43 0.353 -6.276 6.553 1.00 71.44 H new ATOM 0 HD11 LEU A 43 0.393 -3.809 6.614 1.00 43.22 H new ATOM 0 HD12 LEU A 43 1.752 -4.471 5.675 1.00 43.22 H new ATOM 0 HD13 LEU A 43 0.348 -3.771 4.835 1.00 43.22 H new ATOM 0 HD21 LEU A 43 -1.762 -5.013 6.726 1.00 52.55 H new ATOM 0 HD22 LEU A 43 -1.910 -5.029 4.952 1.00 52.55 H new ATOM 0 HD23 LEU A 43 -1.980 -6.556 5.865 1.00 52.55 H new ATOM 701 N ASN A 44 1.102 -9.395 2.949 1.00 52.44 N ATOM 702 CA ASN A 44 1.530 -10.088 1.725 1.00 5.11 C ATOM 703 C ASN A 44 0.374 -10.897 1.117 1.00 34.43 C ATOM 704 O ASN A 44 0.371 -11.202 -0.079 1.00 2.33 O ATOM 705 CB ASN A 44 2.716 -11.014 2.037 1.00 72.11 C ATOM 706 CG ASN A 44 3.207 -11.785 0.818 1.00 51.01 C ATOM 707 OD1 ASN A 44 4.093 -11.332 0.090 1.00 71.35 O ATOM 708 ND2 ASN A 44 2.636 -12.958 0.585 1.00 22.21 N ATOM 0 H ASN A 44 1.644 -9.640 3.777 1.00 52.44 H new ATOM 0 HA ASN A 44 1.839 -9.339 0.996 1.00 5.11 H new ATOM 0 HB2 ASN A 44 3.537 -10.421 2.439 1.00 72.11 H new ATOM 0 HB3 ASN A 44 2.423 -11.721 2.813 1.00 72.11 H new ATOM 0 HD21 ASN A 44 2.927 -13.516 -0.218 1.00 22.21 H new ATOM 0 HD22 ASN A 44 1.906 -13.302 1.208 1.00 22.21 H new ATOM 715 N LYS A 45 -0.605 -11.218 1.959 1.00 30.42 N ATOM 716 CA LYS A 45 -1.755 -12.041 1.578 1.00 75.12 C ATOM 717 C LYS A 45 -2.621 -11.372 0.502 1.00 72.23 C ATOM 718 O LYS A 45 -3.219 -12.051 -0.334 1.00 35.43 O ATOM 719 CB LYS A 45 -2.616 -12.305 2.824 1.00 42.33 C ATOM 720 CG LYS A 45 -3.851 -13.173 2.570 1.00 43.30 C ATOM 721 CD LYS A 45 -4.815 -13.154 3.757 1.00 11.23 C ATOM 722 CE LYS A 45 -4.146 -13.591 5.056 1.00 74.34 C ATOM 723 NZ LYS A 45 -3.677 -15.002 5.012 1.00 13.14 N ATOM 0 H LYS A 45 -0.625 -10.913 2.932 1.00 30.42 H new ATOM 0 HA LYS A 45 -1.373 -12.973 1.161 1.00 75.12 H new ATOM 0 HB2 LYS A 45 -1.998 -12.787 3.581 1.00 42.33 H new ATOM 0 HB3 LYS A 45 -2.938 -11.349 3.237 1.00 42.33 H new ATOM 0 HG2 LYS A 45 -4.367 -12.818 1.678 1.00 43.30 H new ATOM 0 HG3 LYS A 45 -3.539 -14.199 2.372 1.00 43.30 H new ATOM 0 HD2 LYS A 45 -5.217 -12.148 3.879 1.00 11.23 H new ATOM 0 HD3 LYS A 45 -5.659 -13.811 3.547 1.00 11.23 H new ATOM 0 HE2 LYS A 45 -3.299 -12.937 5.262 1.00 74.34 H new ATOM 0 HE3 LYS A 45 -4.849 -13.471 5.880 1.00 74.34 H new ATOM 0 HZ1 LYS A 45 -3.246 -15.253 5.924 1.00 13.14 H new ATOM 0 HZ2 LYS A 45 -4.484 -15.631 4.826 1.00 13.14 H new ATOM 0 HZ3 LYS A 45 -2.972 -15.110 4.255 1.00 13.14 H new ATOM 737 N TYR A 46 -2.678 -10.044 0.527 1.00 51.24 N ATOM 738 CA TYR A 46 -3.668 -9.295 -0.254 1.00 45.54 C ATOM 739 C TYR A 46 -3.202 -9.008 -1.686 1.00 51.33 C ATOM 740 O TYR A 46 -4.028 -8.792 -2.577 1.00 4.15 O ATOM 741 CB TYR A 46 -3.996 -7.987 0.472 1.00 14.01 C ATOM 742 CG TYR A 46 -4.534 -8.201 1.874 1.00 33.03 C ATOM 743 CD1 TYR A 46 -5.883 -8.466 2.088 1.00 44.22 C ATOM 744 CD2 TYR A 46 -3.696 -8.146 2.983 1.00 20.24 C ATOM 745 CE1 TYR A 46 -6.377 -8.672 3.362 1.00 62.22 C ATOM 746 CE2 TYR A 46 -4.183 -8.349 4.260 1.00 34.05 C ATOM 747 CZ TYR A 46 -5.524 -8.613 4.444 1.00 23.33 C ATOM 748 OH TYR A 46 -6.012 -8.817 5.716 1.00 21.31 O ATOM 0 H TYR A 46 -2.051 -9.460 1.080 1.00 51.24 H new ATOM 0 HA TYR A 46 -4.561 -9.914 -0.339 1.00 45.54 H new ATOM 0 HB2 TYR A 46 -3.097 -7.373 0.524 1.00 14.01 H new ATOM 0 HB3 TYR A 46 -4.729 -7.430 -0.111 1.00 14.01 H new ATOM 0 HD1 TYR A 46 -6.555 -8.511 1.244 1.00 44.22 H new ATOM 0 HD2 TYR A 46 -2.645 -7.941 2.843 1.00 20.24 H new ATOM 0 HE1 TYR A 46 -7.427 -8.878 3.510 1.00 62.22 H new ATOM 0 HE2 TYR A 46 -3.517 -8.301 5.109 1.00 34.05 H new ATOM 0 HH TYR A 46 -5.280 -8.742 6.363 1.00 21.31 H new ATOM 758 N ASP A 47 -1.885 -9.008 -1.894 1.00 34.10 N ATOM 759 CA ASP A 47 -1.270 -8.679 -3.197 1.00 64.11 C ATOM 760 C ASP A 47 -1.401 -7.187 -3.536 1.00 35.12 C ATOM 761 O ASP A 47 -0.908 -6.739 -4.576 1.00 25.33 O ATOM 762 CB ASP A 47 -1.870 -9.499 -4.358 1.00 44.40 C ATOM 763 CG ASP A 47 -1.544 -10.984 -4.302 1.00 10.55 C ATOM 764 OD1 ASP A 47 -0.392 -11.361 -4.612 1.00 43.41 O ATOM 765 OD2 ASP A 47 -2.446 -11.789 -3.984 1.00 12.33 O ATOM 0 H ASP A 47 -1.206 -9.235 -1.167 1.00 34.10 H new ATOM 0 HA ASP A 47 -0.216 -8.936 -3.089 1.00 64.11 H new ATOM 0 HB2 ASP A 47 -2.953 -9.375 -4.355 1.00 44.40 H new ATOM 0 HB3 ASP A 47 -1.506 -9.093 -5.302 1.00 44.40 H new ATOM 770 N TYR A 48 -2.038 -6.417 -2.656 1.00 14.42 N ATOM 771 CA TYR A 48 -2.226 -4.979 -2.867 1.00 70.31 C ATOM 772 C TYR A 48 -2.234 -4.243 -1.532 1.00 53.01 C ATOM 773 O TYR A 48 -3.081 -4.506 -0.670 1.00 20.51 O ATOM 774 CB TYR A 48 -3.532 -4.700 -3.637 1.00 71.13 C ATOM 775 CG TYR A 48 -3.419 -4.883 -5.144 1.00 2.31 C ATOM 776 CD1 TYR A 48 -2.882 -3.875 -5.940 1.00 73.54 C ATOM 777 CD2 TYR A 48 -3.846 -6.052 -5.771 1.00 42.33 C ATOM 778 CE1 TYR A 48 -2.774 -4.022 -7.307 1.00 3.25 C ATOM 779 CE2 TYR A 48 -3.739 -6.207 -7.141 1.00 0.33 C ATOM 780 CZ TYR A 48 -3.203 -5.189 -7.905 1.00 33.22 C ATOM 781 OH TYR A 48 -3.086 -5.335 -9.272 1.00 62.44 O ATOM 0 H TYR A 48 -2.436 -6.766 -1.784 1.00 14.42 H new ATOM 0 HA TYR A 48 -1.392 -4.613 -3.466 1.00 70.31 H new ATOM 0 HB2 TYR A 48 -4.312 -5.362 -3.259 1.00 71.13 H new ATOM 0 HB3 TYR A 48 -3.852 -3.679 -3.429 1.00 71.13 H new ATOM 0 HD1 TYR A 48 -2.543 -2.960 -5.478 1.00 73.54 H new ATOM 0 HD2 TYR A 48 -4.267 -6.850 -5.177 1.00 42.33 H new ATOM 0 HE1 TYR A 48 -2.356 -3.227 -7.907 1.00 3.25 H new ATOM 0 HE2 TYR A 48 -4.073 -7.120 -7.611 1.00 0.33 H new ATOM 0 HH TYR A 48 -3.432 -6.213 -9.538 1.00 62.44 H new ATOM 791 N ILE A 49 -1.285 -3.323 -1.366 1.00 31.31 N ATOM 792 CA ILE A 49 -1.139 -2.563 -0.126 1.00 70.01 C ATOM 793 C ILE A 49 -1.393 -1.081 -0.388 1.00 34.51 C ATOM 794 O ILE A 49 -0.656 -0.444 -1.143 1.00 65.33 O ATOM 795 CB ILE A 49 0.280 -2.723 0.488 1.00 23.33 C ATOM 796 CG1 ILE A 49 0.699 -4.202 0.525 1.00 53.04 C ATOM 797 CG2 ILE A 49 0.329 -2.113 1.892 1.00 21.32 C ATOM 798 CD1 ILE A 49 -0.278 -5.101 1.251 1.00 45.43 C ATOM 0 H ILE A 49 -0.600 -3.085 -2.083 1.00 31.31 H new ATOM 0 HA ILE A 49 -1.870 -2.956 0.580 1.00 70.01 H new ATOM 0 HB ILE A 49 0.987 -2.188 -0.146 1.00 23.33 H new ATOM 0 HG12 ILE A 49 0.817 -4.561 -0.497 1.00 53.04 H new ATOM 0 HG13 ILE A 49 1.675 -4.281 1.005 1.00 53.04 H new ATOM 0 HG21 ILE A 49 1.330 -2.234 2.307 1.00 21.32 H new ATOM 0 HG22 ILE A 49 0.085 -1.052 1.836 1.00 21.32 H new ATOM 0 HG23 ILE A 49 -0.393 -2.618 2.534 1.00 21.32 H new ATOM 0 HD11 ILE A 49 0.089 -6.127 1.233 1.00 45.43 H new ATOM 0 HD12 ILE A 49 -0.378 -4.770 2.285 1.00 45.43 H new ATOM 0 HD13 ILE A 49 -1.250 -5.055 0.759 1.00 45.43 H new ATOM 810 N VAL A 50 -2.440 -0.541 0.225 1.00 3.13 N ATOM 811 CA VAL A 50 -2.779 0.871 0.075 1.00 23.54 C ATOM 812 C VAL A 50 -2.604 1.598 1.402 1.00 44.41 C ATOM 813 O VAL A 50 -3.324 1.327 2.361 1.00 51.13 O ATOM 814 CB VAL A 50 -4.233 1.060 -0.422 1.00 12.21 C ATOM 815 CG1 VAL A 50 -4.559 2.545 -0.599 1.00 22.12 C ATOM 816 CG2 VAL A 50 -4.455 0.288 -1.722 1.00 4.02 C ATOM 0 H VAL A 50 -3.072 -1.062 0.833 1.00 3.13 H new ATOM 0 HA VAL A 50 -2.103 1.291 -0.670 1.00 23.54 H new ATOM 0 HB VAL A 50 -4.911 0.660 0.331 1.00 12.21 H new ATOM 0 HG11 VAL A 50 -5.586 2.653 -0.949 1.00 22.12 H new ATOM 0 HG12 VAL A 50 -4.445 3.059 0.355 1.00 22.12 H new ATOM 0 HG13 VAL A 50 -3.879 2.982 -1.330 1.00 22.12 H new ATOM 0 HG21 VAL A 50 -5.482 0.431 -2.059 1.00 4.02 H new ATOM 0 HG22 VAL A 50 -3.768 0.655 -2.485 1.00 4.02 H new ATOM 0 HG23 VAL A 50 -4.273 -0.773 -1.551 1.00 4.02 H new ATOM 826 N GLY A 51 -1.642 2.508 1.457 1.00 3.10 N ATOM 827 CA GLY A 51 -1.394 3.257 2.675 1.00 51.43 C ATOM 828 C GLY A 51 -2.013 4.637 2.622 1.00 34.13 C ATOM 829 O GLY A 51 -1.698 5.415 1.719 1.00 1.21 O ATOM 0 H GLY A 51 -1.026 2.742 0.678 1.00 3.10 H new ATOM 0 HA2 GLY A 51 -1.798 2.710 3.527 1.00 51.43 H new ATOM 0 HA3 GLY A 51 -0.319 3.346 2.834 1.00 51.43 H new ATOM 833 N ASP A 52 -2.897 4.942 3.572 1.00 50.41 N ATOM 834 CA ASP A 52 -3.563 6.246 3.621 1.00 50.52 C ATOM 835 C ASP A 52 -3.067 7.066 4.812 1.00 63.34 C ATOM 836 O ASP A 52 -2.573 6.516 5.802 1.00 43.20 O ATOM 837 CB ASP A 52 -5.095 6.090 3.693 1.00 73.54 C ATOM 838 CG ASP A 52 -5.597 5.584 5.043 1.00 32.21 C ATOM 839 OD1 ASP A 52 -5.807 6.414 5.960 1.00 75.42 O ATOM 840 OD2 ASP A 52 -5.814 4.363 5.184 1.00 22.54 O ATOM 0 H ASP A 52 -3.170 4.304 4.319 1.00 50.41 H new ATOM 0 HA ASP A 52 -3.314 6.774 2.701 1.00 50.52 H new ATOM 0 HB2 ASP A 52 -5.560 7.053 3.480 1.00 73.54 H new ATOM 0 HB3 ASP A 52 -5.418 5.400 2.913 1.00 73.54 H new ATOM 845 N TRP A 53 -3.191 8.386 4.693 1.00 32.51 N ATOM 846 CA TRP A 53 -2.805 9.317 5.752 1.00 31.21 C ATOM 847 C TRP A 53 -4.046 9.971 6.361 1.00 51.31 C ATOM 848 O TRP A 53 -4.032 11.160 6.701 1.00 35.45 O ATOM 849 CB TRP A 53 -1.865 10.393 5.181 1.00 21.21 C ATOM 850 CG TRP A 53 -0.533 9.862 4.730 1.00 43.44 C ATOM 851 CD1 TRP A 53 -0.264 9.195 3.569 1.00 12.32 C ATOM 852 CD2 TRP A 53 0.710 9.957 5.434 1.00 63.34 C ATOM 853 NE1 TRP A 53 1.069 8.871 3.511 1.00 65.21 N ATOM 854 CE2 TRP A 53 1.687 9.332 4.641 1.00 65.01 C ATOM 855 CE3 TRP A 53 1.091 10.518 6.656 1.00 45.45 C ATOM 856 CZ2 TRP A 53 3.023 9.245 5.032 1.00 60.52 C ATOM 857 CZ3 TRP A 53 2.416 10.433 7.046 1.00 32.44 C ATOM 858 CH2 TRP A 53 3.369 9.803 6.234 1.00 71.22 C ATOM 0 H TRP A 53 -3.562 8.841 3.859 1.00 32.51 H new ATOM 0 HA TRP A 53 -2.283 8.767 6.535 1.00 31.21 H new ATOM 0 HB2 TRP A 53 -2.355 10.879 4.338 1.00 21.21 H new ATOM 0 HB3 TRP A 53 -1.702 11.158 5.940 1.00 21.21 H new ATOM 0 HD1 TRP A 53 -0.993 8.957 2.808 1.00 12.32 H new ATOM 0 HE1 TRP A 53 1.524 8.368 2.749 1.00 65.21 H new ATOM 0 HE3 TRP A 53 0.364 11.009 7.285 1.00 45.45 H new ATOM 0 HZ2 TRP A 53 3.758 8.756 4.410 1.00 60.52 H new ATOM 0 HZ3 TRP A 53 2.720 10.859 7.991 1.00 32.44 H new ATOM 0 HH2 TRP A 53 4.397 9.757 6.563 1.00 71.22 H new ATOM 869 N GLY A 54 -5.109 9.179 6.513 1.00 70.13 N ATOM 870 CA GLY A 54 -6.374 9.690 7.027 1.00 72.15 C ATOM 871 C GLY A 54 -6.225 10.392 8.367 1.00 62.22 C ATOM 872 O GLY A 54 -6.482 11.592 8.479 1.00 31.15 O ATOM 0 H GLY A 54 -5.116 8.184 6.287 1.00 70.13 H new ATOM 0 HA2 GLY A 54 -6.801 10.385 6.304 1.00 72.15 H new ATOM 0 HA3 GLY A 54 -7.079 8.865 7.131 1.00 72.15 H new ATOM 876 N TYR A 55 -5.799 9.644 9.379 1.00 13.33 N ATOM 877 CA TYR A 55 -5.591 10.195 10.720 1.00 11.11 C ATOM 878 C TYR A 55 -4.244 10.914 10.794 1.00 2.54 C ATOM 879 O TYR A 55 -4.118 11.977 11.407 1.00 74.41 O ATOM 880 CB TYR A 55 -5.652 9.063 11.762 1.00 3.22 C ATOM 881 CG TYR A 55 -5.354 9.494 13.191 1.00 14.24 C ATOM 882 CD1 TYR A 55 -6.335 10.083 13.986 1.00 11.42 C ATOM 883 CD2 TYR A 55 -4.090 9.302 13.747 1.00 14.02 C ATOM 884 CE1 TYR A 55 -6.062 10.470 15.287 1.00 65.31 C ATOM 885 CE2 TYR A 55 -3.814 9.686 15.045 1.00 61.23 C ATOM 886 CZ TYR A 55 -4.801 10.268 15.811 1.00 75.02 C ATOM 887 OH TYR A 55 -4.522 10.650 17.107 1.00 4.33 O ATOM 0 H TYR A 55 -5.589 8.649 9.299 1.00 13.33 H new ATOM 0 HA TYR A 55 -6.379 10.917 10.935 1.00 11.11 H new ATOM 0 HB2 TYR A 55 -6.645 8.614 11.732 1.00 3.22 H new ATOM 0 HB3 TYR A 55 -4.942 8.287 11.476 1.00 3.22 H new ATOM 0 HD1 TYR A 55 -7.324 10.240 13.581 1.00 11.42 H new ATOM 0 HD2 TYR A 55 -3.313 8.845 13.152 1.00 14.02 H new ATOM 0 HE1 TYR A 55 -6.832 10.928 15.889 1.00 65.31 H new ATOM 0 HE2 TYR A 55 -2.828 9.531 15.458 1.00 61.23 H new ATOM 0 HH TYR A 55 -3.589 10.435 17.318 1.00 4.33 H new ATOM 897 N GLY A 56 -3.248 10.327 10.148 1.00 4.04 N ATOM 898 CA GLY A 56 -1.888 10.840 10.205 1.00 64.12 C ATOM 899 C GLY A 56 -0.898 9.700 10.232 1.00 41.44 C ATOM 900 O GLY A 56 0.063 9.672 9.465 1.00 43.25 O ATOM 0 H GLY A 56 -3.357 9.490 9.575 1.00 4.04 H new ATOM 0 HA2 GLY A 56 -1.696 11.477 9.342 1.00 64.12 H new ATOM 0 HA3 GLY A 56 -1.763 11.460 11.093 1.00 64.12 H new ATOM 904 N GLN A 57 -1.149 8.752 11.130 1.00 71.32 N ATOM 905 CA GLN A 57 -0.416 7.496 11.141 1.00 24.31 C ATOM 906 C GLN A 57 -0.670 6.764 9.830 1.00 12.22 C ATOM 907 O GLN A 57 -1.817 6.421 9.526 1.00 32.41 O ATOM 908 CB GLN A 57 -0.865 6.614 12.315 1.00 14.01 C ATOM 909 CG GLN A 57 -0.669 7.246 13.689 1.00 31.13 C ATOM 910 CD GLN A 57 -1.211 6.384 14.819 1.00 23.42 C ATOM 911 OE1 GLN A 57 -1.668 6.896 15.839 1.00 22.32 O ATOM 912 NE2 GLN A 57 -1.151 5.068 14.657 1.00 61.43 N ATOM 0 H GLN A 57 -1.857 8.833 11.860 1.00 71.32 H new ATOM 0 HA GLN A 57 0.647 7.707 11.256 1.00 24.31 H new ATOM 0 HB2 GLN A 57 -1.920 6.370 12.188 1.00 14.01 H new ATOM 0 HB3 GLN A 57 -0.314 5.674 12.279 1.00 14.01 H new ATOM 0 HG2 GLN A 57 0.394 7.425 13.853 1.00 31.13 H new ATOM 0 HG3 GLN A 57 -1.163 8.217 13.711 1.00 31.13 H new ATOM 0 HE21 GLN A 57 -0.765 4.677 13.797 1.00 61.43 H new ATOM 0 HE22 GLN A 57 -1.490 4.448 15.392 1.00 61.43 H new ATOM 921 N LEU A 58 0.383 6.566 9.047 1.00 13.34 N ATOM 922 CA LEU A 58 0.273 5.857 7.778 1.00 51.15 C ATOM 923 C LEU A 58 -0.308 4.462 8.026 1.00 32.52 C ATOM 924 O LEU A 58 0.345 3.606 8.627 1.00 53.21 O ATOM 925 CB LEU A 58 1.654 5.775 7.096 1.00 32.41 C ATOM 926 CG LEU A 58 1.653 5.452 5.584 1.00 12.33 C ATOM 927 CD1 LEU A 58 3.047 5.642 4.997 1.00 51.13 C ATOM 928 CD2 LEU A 58 1.156 4.033 5.311 1.00 13.34 C ATOM 0 H LEU A 58 1.325 6.887 9.269 1.00 13.34 H new ATOM 0 HA LEU A 58 -0.397 6.398 7.110 1.00 51.15 H new ATOM 0 HB2 LEU A 58 2.165 6.727 7.242 1.00 32.41 H new ATOM 0 HB3 LEU A 58 2.244 5.015 7.608 1.00 32.41 H new ATOM 0 HG LEU A 58 0.965 6.146 5.101 1.00 12.33 H new ATOM 0 HD11 LEU A 58 3.028 5.410 3.932 1.00 51.13 H new ATOM 0 HD12 LEU A 58 3.363 6.676 5.138 1.00 51.13 H new ATOM 0 HD13 LEU A 58 3.748 4.976 5.501 1.00 51.13 H new ATOM 0 HD21 LEU A 58 1.170 3.843 4.238 1.00 13.34 H new ATOM 0 HD22 LEU A 58 1.805 3.317 5.815 1.00 13.34 H new ATOM 0 HD23 LEU A 58 0.138 3.926 5.686 1.00 13.34 H new ATOM 940 N ARG A 59 -1.546 4.258 7.592 1.00 62.53 N ATOM 941 CA ARG A 59 -2.231 2.980 7.761 1.00 44.04 C ATOM 942 C ARG A 59 -2.196 2.188 6.463 1.00 24.30 C ATOM 943 O ARG A 59 -2.529 2.716 5.403 1.00 54.33 O ATOM 944 CB ARG A 59 -3.688 3.204 8.190 1.00 65.25 C ATOM 945 CG ARG A 59 -3.836 3.848 9.564 1.00 74.10 C ATOM 946 CD ARG A 59 -5.294 4.137 9.889 1.00 71.12 C ATOM 947 NE ARG A 59 -5.461 4.686 11.236 1.00 70.21 N ATOM 948 CZ ARG A 59 -6.450 5.508 11.595 1.00 1.44 C ATOM 949 NH1 ARG A 59 -7.329 5.933 10.693 1.00 23.11 N ATOM 950 NH2 ARG A 59 -6.554 5.909 12.855 1.00 22.33 N ATOM 0 H ARG A 59 -2.102 4.968 7.116 1.00 62.53 H new ATOM 0 HA ARG A 59 -1.716 2.416 8.539 1.00 44.04 H new ATOM 0 HB2 ARG A 59 -4.182 3.833 7.450 1.00 65.25 H new ATOM 0 HB3 ARG A 59 -4.207 2.246 8.191 1.00 65.25 H new ATOM 0 HG2 ARG A 59 -3.416 3.188 10.324 1.00 74.10 H new ATOM 0 HG3 ARG A 59 -3.264 4.775 9.596 1.00 74.10 H new ATOM 0 HD2 ARG A 59 -5.695 4.841 9.159 1.00 71.12 H new ATOM 0 HD3 ARG A 59 -5.874 3.219 9.798 1.00 71.12 H new ATOM 0 HE ARG A 59 -4.778 4.423 11.946 1.00 70.21 H new ATOM 0 HH11 ARG A 59 -7.250 5.631 9.722 1.00 23.11 H new ATOM 0 HH12 ARG A 59 -8.083 6.561 10.972 1.00 23.11 H new ATOM 0 HH21 ARG A 59 -5.879 5.589 13.549 1.00 22.33 H new ATOM 0 HH22 ARG A 59 -7.309 6.537 13.130 1.00 22.33 H new ATOM 964 N LEU A 60 -1.790 0.926 6.551 1.00 72.21 N ATOM 965 CA LEU A 60 -1.738 0.054 5.386 1.00 1.35 C ATOM 966 C LEU A 60 -2.989 -0.812 5.323 1.00 71.51 C ATOM 967 O LEU A 60 -3.183 -1.705 6.150 1.00 54.31 O ATOM 968 CB LEU A 60 -0.482 -0.834 5.421 1.00 4.02 C ATOM 969 CG LEU A 60 0.859 -0.084 5.366 1.00 3.02 C ATOM 970 CD1 LEU A 60 2.028 -1.061 5.398 1.00 14.15 C ATOM 971 CD2 LEU A 60 0.933 0.801 4.130 1.00 1.14 C ATOM 0 H LEU A 60 -1.491 0.484 7.421 1.00 72.21 H new ATOM 0 HA LEU A 60 -1.691 0.678 4.494 1.00 1.35 H new ATOM 0 HB2 LEU A 60 -0.507 -1.433 6.331 1.00 4.02 H new ATOM 0 HB3 LEU A 60 -0.525 -1.528 4.582 1.00 4.02 H new ATOM 0 HG LEU A 60 0.925 0.555 6.247 1.00 3.02 H new ATOM 0 HD11 LEU A 60 2.966 -0.507 5.358 1.00 14.15 H new ATOM 0 HD12 LEU A 60 1.990 -1.644 6.318 1.00 14.15 H new ATOM 0 HD13 LEU A 60 1.966 -1.731 4.541 1.00 14.15 H new ATOM 0 HD21 LEU A 60 1.890 1.322 4.112 1.00 1.14 H new ATOM 0 HD22 LEU A 60 0.838 0.185 3.236 1.00 1.14 H new ATOM 0 HD23 LEU A 60 0.124 1.531 4.156 1.00 1.14 H new ATOM 983 N LYS A 61 -3.843 -0.529 4.352 1.00 33.14 N ATOM 984 CA LYS A 61 -5.053 -1.305 4.138 1.00 15.34 C ATOM 985 C LYS A 61 -4.790 -2.330 3.037 1.00 65.31 C ATOM 986 O LYS A 61 -4.313 -1.983 1.954 1.00 12.44 O ATOM 987 CB LYS A 61 -6.223 -0.369 3.758 1.00 22.14 C ATOM 988 CG LYS A 61 -7.622 -0.932 4.042 1.00 44.22 C ATOM 989 CD LYS A 61 -7.882 -2.241 3.304 1.00 52.41 C ATOM 990 CE LYS A 61 -9.268 -2.801 3.579 1.00 35.43 C ATOM 991 NZ LYS A 61 -9.418 -4.164 3.008 1.00 45.41 N ATOM 0 H LYS A 61 -3.718 0.240 3.694 1.00 33.14 H new ATOM 0 HA LYS A 61 -5.330 -1.828 5.053 1.00 15.34 H new ATOM 0 HB2 LYS A 61 -6.109 0.570 4.300 1.00 22.14 H new ATOM 0 HB3 LYS A 61 -6.151 -0.134 2.696 1.00 22.14 H new ATOM 0 HG2 LYS A 61 -7.735 -1.094 5.114 1.00 44.22 H new ATOM 0 HG3 LYS A 61 -8.373 -0.198 3.750 1.00 44.22 H new ATOM 0 HD2 LYS A 61 -7.766 -2.079 2.232 1.00 52.41 H new ATOM 0 HD3 LYS A 61 -7.132 -2.975 3.599 1.00 52.41 H new ATOM 0 HE2 LYS A 61 -9.444 -2.833 4.654 1.00 35.43 H new ATOM 0 HE3 LYS A 61 -10.022 -2.140 3.152 1.00 35.43 H new ATOM 0 HZ1 LYS A 61 -10.049 -4.727 3.614 1.00 45.41 H new ATOM 0 HZ2 LYS A 61 -9.824 -4.097 2.053 1.00 45.41 H new ATOM 0 HZ3 LYS A 61 -8.486 -4.623 2.957 1.00 45.41 H new ATOM 1005 N GLY A 62 -5.092 -3.592 3.325 1.00 43.44 N ATOM 1006 CA GLY A 62 -4.878 -4.654 2.362 1.00 1.02 C ATOM 1007 C GLY A 62 -6.100 -4.896 1.497 1.00 52.23 C ATOM 1008 O GLY A 62 -7.191 -5.159 2.013 1.00 22.30 O ATOM 0 H GLY A 62 -5.484 -3.898 4.215 1.00 43.44 H new ATOM 0 HA2 GLY A 62 -4.029 -4.401 1.727 1.00 1.02 H new ATOM 0 HA3 GLY A 62 -4.619 -5.573 2.888 1.00 1.02 H new ATOM 1012 N PHE A 63 -5.927 -4.802 0.187 1.00 25.33 N ATOM 1013 CA PHE A 63 -7.011 -5.050 -0.759 1.00 32.42 C ATOM 1014 C PHE A 63 -6.693 -6.258 -1.627 1.00 45.44 C ATOM 1015 O PHE A 63 -5.529 -6.603 -1.818 1.00 2.21 O ATOM 1016 CB PHE A 63 -7.243 -3.825 -1.656 1.00 23.34 C ATOM 1017 CG PHE A 63 -7.833 -2.639 -0.938 1.00 72.34 C ATOM 1018 CD1 PHE A 63 -9.206 -2.527 -0.773 1.00 32.44 C ATOM 1019 CD2 PHE A 63 -7.020 -1.635 -0.436 1.00 32.43 C ATOM 1020 CE1 PHE A 63 -9.753 -1.439 -0.122 1.00 43.10 C ATOM 1021 CE2 PHE A 63 -7.564 -0.546 0.214 1.00 34.42 C ATOM 1022 CZ PHE A 63 -8.931 -0.448 0.371 1.00 15.15 C ATOM 0 H PHE A 63 -5.040 -4.554 -0.250 1.00 25.33 H new ATOM 0 HA PHE A 63 -7.917 -5.246 -0.186 1.00 32.42 H new ATOM 0 HB2 PHE A 63 -6.293 -3.530 -2.103 1.00 23.34 H new ATOM 0 HB3 PHE A 63 -7.906 -4.107 -2.474 1.00 23.34 H new ATOM 0 HD1 PHE A 63 -9.855 -3.300 -1.158 1.00 32.44 H new ATOM 0 HD2 PHE A 63 -5.949 -1.706 -0.555 1.00 32.43 H new ATOM 0 HE1 PHE A 63 -10.823 -1.364 0.001 1.00 43.10 H new ATOM 0 HE2 PHE A 63 -6.919 0.230 0.600 1.00 34.42 H new ATOM 0 HZ PHE A 63 -9.357 0.404 0.880 1.00 15.15 H new ATOM 1032 N PHE A 64 -7.731 -6.887 -2.162 1.00 13.01 N ATOM 1033 CA PHE A 64 -7.564 -7.991 -3.100 1.00 70.21 C ATOM 1034 C PHE A 64 -7.823 -7.489 -4.511 1.00 75.45 C ATOM 1035 O PHE A 64 -8.470 -6.454 -4.698 1.00 44.33 O ATOM 1036 CB PHE A 64 -8.522 -9.143 -2.773 1.00 51.42 C ATOM 1037 CG PHE A 64 -8.214 -9.853 -1.478 1.00 14.21 C ATOM 1038 CD1 PHE A 64 -7.230 -10.834 -1.425 1.00 74.54 C ATOM 1039 CD2 PHE A 64 -8.913 -9.551 -0.318 1.00 12.40 C ATOM 1040 CE1 PHE A 64 -6.950 -11.494 -0.243 1.00 24.20 C ATOM 1041 CE2 PHE A 64 -8.639 -10.212 0.864 1.00 45.22 C ATOM 1042 CZ PHE A 64 -7.655 -11.183 0.903 1.00 55.53 C ATOM 0 H PHE A 64 -8.703 -6.650 -1.962 1.00 13.01 H new ATOM 0 HA PHE A 64 -6.544 -8.368 -3.019 1.00 70.21 H new ATOM 0 HB2 PHE A 64 -9.539 -8.754 -2.728 1.00 51.42 H new ATOM 0 HB3 PHE A 64 -8.493 -9.867 -3.587 1.00 51.42 H new ATOM 0 HD1 PHE A 64 -6.677 -11.084 -2.319 1.00 74.54 H new ATOM 0 HD2 PHE A 64 -9.680 -8.791 -0.339 1.00 12.40 H new ATOM 0 HE1 PHE A 64 -6.181 -12.252 -0.216 1.00 24.20 H new ATOM 0 HE2 PHE A 64 -9.194 -9.970 1.758 1.00 45.22 H new ATOM 0 HZ PHE A 64 -7.438 -11.697 1.828 1.00 55.53 H new ATOM 1052 N ASP A 65 -7.318 -8.213 -5.499 1.00 52.43 N ATOM 1053 CA ASP A 65 -7.422 -7.782 -6.887 1.00 62.10 C ATOM 1054 C ASP A 65 -8.872 -7.850 -7.370 1.00 62.23 C ATOM 1055 O ASP A 65 -9.561 -8.851 -7.159 1.00 11.30 O ATOM 1056 CB ASP A 65 -6.509 -8.631 -7.788 1.00 52.35 C ATOM 1057 CG ASP A 65 -7.121 -9.965 -8.204 1.00 21.20 C ATOM 1058 OD1 ASP A 65 -7.185 -10.887 -7.365 1.00 74.43 O ATOM 1059 OD2 ASP A 65 -7.538 -10.094 -9.376 1.00 44.23 O ATOM 0 H ASP A 65 -6.833 -9.100 -5.367 1.00 52.43 H new ATOM 0 HA ASP A 65 -7.093 -6.745 -6.946 1.00 62.10 H new ATOM 0 HB2 ASP A 65 -6.265 -8.059 -8.683 1.00 52.35 H new ATOM 0 HB3 ASP A 65 -5.572 -8.820 -7.265 1.00 52.35 H new ATOM 1064 N ASP A 66 -9.339 -6.766 -7.987 1.00 11.13 N ATOM 1065 CA ASP A 66 -10.676 -6.729 -8.581 1.00 54.54 C ATOM 1066 C ASP A 66 -10.570 -6.840 -10.094 1.00 5.15 C ATOM 1067 O ASP A 66 -11.063 -7.796 -10.696 1.00 13.54 O ATOM 1068 CB ASP A 66 -11.430 -5.437 -8.214 1.00 72.34 C ATOM 1069 CG ASP A 66 -11.859 -5.373 -6.754 1.00 12.31 C ATOM 1070 OD1 ASP A 66 -12.636 -6.244 -6.315 1.00 3.12 O ATOM 1071 OD2 ASP A 66 -11.443 -4.434 -6.047 1.00 50.41 O ATOM 0 H ASP A 66 -8.811 -5.899 -8.089 1.00 11.13 H new ATOM 0 HA ASP A 66 -11.239 -7.573 -8.181 1.00 54.54 H new ATOM 0 HB2 ASP A 66 -10.793 -4.580 -8.434 1.00 72.34 H new ATOM 0 HB3 ASP A 66 -12.313 -5.350 -8.847 1.00 72.34 H new ATOM 1205 N THR A 75 -4.502 -2.213 -12.846 1.00 3.15 N ATOM 1206 CA THR A 75 -4.161 -1.682 -11.535 1.00 15.04 C ATOM 1207 C THR A 75 -5.382 -1.023 -10.889 1.00 1.14 C ATOM 1208 O THR A 75 -5.254 -0.134 -10.038 1.00 14.21 O ATOM 1209 CB THR A 75 -3.002 -0.663 -11.662 1.00 71.24 C ATOM 1210 OG1 THR A 75 -3.236 0.206 -12.785 1.00 53.22 O ATOM 1211 CG2 THR A 75 -1.661 -1.372 -11.838 1.00 31.14 C ATOM 0 HA THR A 75 -3.838 -2.505 -10.897 1.00 15.04 H new ATOM 0 HB THR A 75 -2.965 -0.078 -10.743 1.00 71.24 H new ATOM 0 HG1 THR A 75 -3.901 -0.200 -13.380 1.00 53.22 H new ATOM 0 HG21 THR A 75 -0.866 -0.631 -11.924 1.00 31.14 H new ATOM 0 HG22 THR A 75 -1.470 -2.009 -10.975 1.00 31.14 H new ATOM 0 HG23 THR A 75 -1.688 -1.982 -12.741 1.00 31.14 H new ATOM 1219 N LYS A 76 -6.570 -1.483 -11.285 1.00 71.32 N ATOM 1220 CA LYS A 76 -7.820 -0.914 -10.788 1.00 44.24 C ATOM 1221 C LYS A 76 -8.444 -1.807 -9.715 1.00 62.32 C ATOM 1222 O LYS A 76 -8.927 -2.908 -10.002 1.00 13.41 O ATOM 1223 CB LYS A 76 -8.817 -0.710 -11.938 1.00 72.22 C ATOM 1224 CG LYS A 76 -10.136 -0.064 -11.517 1.00 41.22 C ATOM 1225 CD LYS A 76 -9.931 1.361 -11.000 1.00 22.41 C ATOM 1226 CE LYS A 76 -11.247 2.010 -10.582 1.00 71.03 C ATOM 1227 NZ LYS A 76 -11.066 3.432 -10.185 1.00 71.51 N ATOM 0 H LYS A 76 -6.691 -2.248 -11.949 1.00 71.32 H new ATOM 0 HA LYS A 76 -7.588 0.053 -10.342 1.00 44.24 H new ATOM 0 HB2 LYS A 76 -8.350 -0.090 -12.703 1.00 72.22 H new ATOM 0 HB3 LYS A 76 -9.029 -1.676 -12.396 1.00 72.22 H new ATOM 0 HG2 LYS A 76 -10.820 -0.048 -12.366 1.00 41.22 H new ATOM 0 HG3 LYS A 76 -10.605 -0.668 -10.741 1.00 41.22 H new ATOM 0 HD2 LYS A 76 -9.249 1.344 -10.150 1.00 22.41 H new ATOM 0 HD3 LYS A 76 -9.459 1.964 -11.776 1.00 22.41 H new ATOM 0 HE2 LYS A 76 -11.958 1.951 -11.406 1.00 71.03 H new ATOM 0 HE3 LYS A 76 -11.677 1.453 -9.750 1.00 71.03 H new ATOM 0 HZ1 LYS A 76 -11.777 3.686 -9.470 1.00 71.51 H new ATOM 0 HZ2 LYS A 76 -10.114 3.563 -9.788 1.00 71.51 H new ATOM 0 HZ3 LYS A 76 -11.181 4.043 -11.019 1.00 71.51 H new ATOM 1241 N ILE A 77 -8.415 -1.329 -8.478 1.00 12.25 N ATOM 1242 CA ILE A 77 -9.131 -1.969 -7.383 1.00 23.13 C ATOM 1243 C ILE A 77 -10.487 -1.284 -7.222 1.00 63.41 C ATOM 1244 O ILE A 77 -10.553 -0.090 -6.923 1.00 13.40 O ATOM 1245 CB ILE A 77 -8.336 -1.888 -6.057 1.00 52.03 C ATOM 1246 CG1 ILE A 77 -6.918 -2.445 -6.248 1.00 1.41 C ATOM 1247 CG2 ILE A 77 -9.067 -2.637 -4.941 1.00 63.43 C ATOM 1248 CD1 ILE A 77 -6.044 -2.326 -5.015 1.00 20.44 C ATOM 0 H ILE A 77 -7.898 -0.493 -8.207 1.00 12.25 H new ATOM 0 HA ILE A 77 -9.263 -3.025 -7.619 1.00 23.13 H new ATOM 0 HB ILE A 77 -8.258 -0.841 -5.766 1.00 52.03 H new ATOM 0 HG12 ILE A 77 -6.985 -3.494 -6.535 1.00 1.41 H new ATOM 0 HG13 ILE A 77 -6.439 -1.919 -7.074 1.00 1.41 H new ATOM 0 HG21 ILE A 77 -8.491 -2.567 -4.018 1.00 63.43 H new ATOM 0 HG22 ILE A 77 -10.051 -2.193 -4.789 1.00 63.43 H new ATOM 0 HG23 ILE A 77 -9.181 -3.685 -5.220 1.00 63.43 H new ATOM 0 HD11 ILE A 77 -5.058 -2.740 -5.226 1.00 20.44 H new ATOM 0 HD12 ILE A 77 -5.945 -1.276 -4.739 1.00 20.44 H new ATOM 0 HD13 ILE A 77 -6.500 -2.876 -4.192 1.00 20.44 H new ATOM 1260 N SER A 78 -11.557 -2.038 -7.434 1.00 24.02 N ATOM 1261 CA SER A 78 -12.904 -1.477 -7.480 1.00 13.24 C ATOM 1262 C SER A 78 -13.311 -0.920 -6.117 1.00 42.52 C ATOM 1263 O SER A 78 -13.703 0.245 -6.006 1.00 61.34 O ATOM 1264 CB SER A 78 -13.907 -2.543 -7.951 1.00 72.32 C ATOM 1265 OG SER A 78 -15.172 -1.971 -8.241 1.00 54.11 O ATOM 0 H SER A 78 -11.519 -3.047 -7.578 1.00 24.02 H new ATOM 0 HA SER A 78 -12.909 -0.653 -8.194 1.00 13.24 H new ATOM 0 HB2 SER A 78 -13.519 -3.042 -8.839 1.00 72.32 H new ATOM 0 HB3 SER A 78 -14.019 -3.305 -7.180 1.00 72.32 H new ATOM 0 HG SER A 78 -15.788 -2.673 -8.539 1.00 54.11 H new ATOM 1271 N THR A 79 -13.192 -1.744 -5.079 1.00 71.02 N ATOM 1272 CA THR A 79 -13.584 -1.337 -3.732 1.00 0.54 C ATOM 1273 C THR A 79 -12.712 -0.182 -3.237 1.00 60.24 C ATOM 1274 O THR A 79 -13.130 0.605 -2.387 1.00 1.31 O ATOM 1275 CB THR A 79 -13.510 -2.521 -2.735 1.00 64.11 C ATOM 1276 OG1 THR A 79 -13.930 -2.101 -1.428 1.00 43.33 O ATOM 1277 CG2 THR A 79 -12.100 -3.096 -2.661 1.00 12.32 C ATOM 0 H THR A 79 -12.828 -2.695 -5.144 1.00 71.02 H new ATOM 0 HA THR A 79 -14.620 -1.001 -3.784 1.00 0.54 H new ATOM 0 HB THR A 79 -14.181 -3.300 -3.097 1.00 64.11 H new ATOM 0 HG1 THR A 79 -13.880 -2.859 -0.809 1.00 43.33 H new ATOM 0 HG21 THR A 79 -12.082 -3.925 -1.953 1.00 12.32 H new ATOM 0 HG22 THR A 79 -11.801 -3.454 -3.646 1.00 12.32 H new ATOM 0 HG23 THR A 79 -11.408 -2.321 -2.331 1.00 12.32 H new ATOM 1285 N LEU A 80 -11.505 -0.070 -3.797 1.00 63.41 N ATOM 1286 CA LEU A 80 -10.568 0.980 -3.409 1.00 22.44 C ATOM 1287 C LEU A 80 -11.128 2.356 -3.747 1.00 1.13 C ATOM 1288 O LEU A 80 -11.103 3.255 -2.913 1.00 11.55 O ATOM 1289 CB LEU A 80 -9.218 0.786 -4.108 1.00 41.01 C ATOM 1290 CG LEU A 80 -8.173 1.880 -3.843 1.00 63.40 C ATOM 1291 CD1 LEU A 80 -7.866 1.988 -2.351 1.00 33.41 C ATOM 1292 CD2 LEU A 80 -6.901 1.615 -4.646 1.00 43.31 C ATOM 0 H LEU A 80 -11.156 -0.697 -4.522 1.00 63.41 H new ATOM 0 HA LEU A 80 -10.421 0.915 -2.331 1.00 22.44 H new ATOM 0 HB2 LEU A 80 -8.802 -0.172 -3.797 1.00 41.01 H new ATOM 0 HB3 LEU A 80 -9.390 0.725 -5.183 1.00 41.01 H new ATOM 0 HG LEU A 80 -8.587 2.834 -4.169 1.00 63.40 H new ATOM 0 HD11 LEU A 80 -7.123 2.769 -2.188 1.00 33.41 H new ATOM 0 HD12 LEU A 80 -8.779 2.236 -1.809 1.00 33.41 H new ATOM 0 HD13 LEU A 80 -7.477 1.036 -1.990 1.00 33.41 H new ATOM 0 HD21 LEU A 80 -6.173 2.401 -4.445 1.00 43.31 H new ATOM 0 HD22 LEU A 80 -6.483 0.651 -4.357 1.00 43.31 H new ATOM 0 HD23 LEU A 80 -7.138 1.604 -5.710 1.00 43.31 H new ATOM 1304 N ASP A 81 -11.636 2.505 -4.969 1.00 53.02 N ATOM 1305 CA ASP A 81 -12.154 3.795 -5.433 1.00 72.04 C ATOM 1306 C ASP A 81 -13.211 4.315 -4.457 1.00 34.20 C ATOM 1307 O ASP A 81 -13.233 5.499 -4.106 1.00 24.31 O ATOM 1308 CB ASP A 81 -12.749 3.660 -6.845 1.00 20.10 C ATOM 1309 CG ASP A 81 -12.907 5.002 -7.555 1.00 65.51 C ATOM 1310 OD1 ASP A 81 -13.727 5.835 -7.114 1.00 4.30 O ATOM 1311 OD2 ASP A 81 -12.207 5.231 -8.566 1.00 62.23 O ATOM 0 H ASP A 81 -11.701 1.753 -5.655 1.00 53.02 H new ATOM 0 HA ASP A 81 -11.331 4.509 -5.475 1.00 72.04 H new ATOM 0 HB2 ASP A 81 -12.108 3.012 -7.443 1.00 20.10 H new ATOM 0 HB3 ASP A 81 -13.722 3.173 -6.779 1.00 20.10 H new ATOM 1316 N GLU A 82 -14.061 3.400 -3.999 1.00 42.31 N ATOM 1317 CA GLU A 82 -15.100 3.719 -3.025 1.00 1.25 C ATOM 1318 C GLU A 82 -14.461 4.082 -1.680 1.00 52.33 C ATOM 1319 O GLU A 82 -14.784 5.111 -1.080 1.00 10.22 O ATOM 1320 CB GLU A 82 -16.046 2.518 -2.844 1.00 70.42 C ATOM 1321 CG GLU A 82 -16.464 1.846 -4.149 1.00 3.35 C ATOM 1322 CD GLU A 82 -17.098 2.808 -5.144 1.00 40.44 C ATOM 1323 OE1 GLU A 82 -18.258 3.217 -4.929 1.00 24.42 O ATOM 1324 OE2 GLU A 82 -16.442 3.159 -6.146 1.00 25.03 O ATOM 0 H GLU A 82 -14.049 2.423 -4.290 1.00 42.31 H new ATOM 0 HA GLU A 82 -15.674 4.570 -3.391 1.00 1.25 H new ATOM 0 HB2 GLU A 82 -15.558 1.779 -2.208 1.00 70.42 H new ATOM 0 HB3 GLU A 82 -16.940 2.851 -2.318 1.00 70.42 H new ATOM 0 HG2 GLU A 82 -15.590 1.383 -4.608 1.00 3.35 H new ATOM 0 HG3 GLU A 82 -17.170 1.045 -3.928 1.00 3.35 H new ATOM 1331 N TYR A 83 -13.540 3.223 -1.245 1.00 64.53 N ATOM 1332 CA TYR A 83 -12.802 3.387 0.011 1.00 60.04 C ATOM 1333 C TYR A 83 -12.166 4.774 0.107 1.00 45.23 C ATOM 1334 O TYR A 83 -12.193 5.415 1.163 1.00 44.44 O ATOM 1335 CB TYR A 83 -11.720 2.298 0.091 1.00 20.44 C ATOM 1336 CG TYR A 83 -10.764 2.413 1.269 1.00 4.14 C ATOM 1337 CD1 TYR A 83 -11.103 1.914 2.520 1.00 21.12 C ATOM 1338 CD2 TYR A 83 -9.506 2.994 1.116 1.00 73.33 C ATOM 1339 CE1 TYR A 83 -10.222 1.989 3.582 1.00 21.24 C ATOM 1340 CE2 TYR A 83 -8.622 3.079 2.176 1.00 35.15 C ATOM 1341 CZ TYR A 83 -8.984 2.573 3.407 1.00 24.23 C ATOM 1342 OH TYR A 83 -8.105 2.637 4.467 1.00 51.52 O ATOM 0 H TYR A 83 -13.281 2.382 -1.760 1.00 64.53 H new ATOM 0 HA TYR A 83 -13.496 3.289 0.846 1.00 60.04 H new ATOM 0 HB2 TYR A 83 -12.210 1.325 0.136 1.00 20.44 H new ATOM 0 HB3 TYR A 83 -11.138 2.319 -0.831 1.00 20.44 H new ATOM 0 HD1 TYR A 83 -12.072 1.460 2.665 1.00 21.12 H new ATOM 0 HD2 TYR A 83 -9.216 3.385 0.152 1.00 73.33 H new ATOM 0 HE1 TYR A 83 -10.502 1.592 4.546 1.00 21.24 H new ATOM 0 HE2 TYR A 83 -7.654 3.539 2.041 1.00 35.15 H new ATOM 0 HH TYR A 83 -7.493 3.392 4.339 1.00 51.52 H new ATOM 1352 N ILE A 84 -11.596 5.227 -1.004 1.00 71.34 N ATOM 1353 CA ILE A 84 -10.912 6.514 -1.051 1.00 70.11 C ATOM 1354 C ILE A 84 -11.882 7.655 -0.773 1.00 61.52 C ATOM 1355 O ILE A 84 -11.593 8.535 0.033 1.00 1.03 O ATOM 1356 CB ILE A 84 -10.214 6.742 -2.419 1.00 64.33 C ATOM 1357 CG1 ILE A 84 -9.154 5.655 -2.670 1.00 63.54 C ATOM 1358 CG2 ILE A 84 -9.587 8.138 -2.492 1.00 23.42 C ATOM 1359 CD1 ILE A 84 -8.106 5.550 -1.579 1.00 62.12 C ATOM 0 H ILE A 84 -11.594 4.719 -1.888 1.00 71.34 H new ATOM 0 HA ILE A 84 -10.147 6.498 -0.275 1.00 70.11 H new ATOM 0 HB ILE A 84 -10.970 6.674 -3.201 1.00 64.33 H new ATOM 0 HG12 ILE A 84 -9.654 4.692 -2.773 1.00 63.54 H new ATOM 0 HG13 ILE A 84 -8.657 5.859 -3.618 1.00 63.54 H new ATOM 0 HG21 ILE A 84 -9.105 8.270 -3.461 1.00 23.42 H new ATOM 0 HG22 ILE A 84 -10.364 8.893 -2.367 1.00 23.42 H new ATOM 0 HG23 ILE A 84 -8.846 8.246 -1.700 1.00 23.42 H new ATOM 0 HD11 ILE A 84 -7.396 4.762 -1.831 1.00 62.12 H new ATOM 0 HD12 ILE A 84 -7.577 6.499 -1.490 1.00 62.12 H new ATOM 0 HD13 ILE A 84 -8.590 5.314 -0.631 1.00 62.12 H new ATOM 1371 N TYR A 85 -13.047 7.616 -1.414 1.00 31.04 N ATOM 1372 CA TYR A 85 -14.032 8.689 -1.286 1.00 1.35 C ATOM 1373 C TYR A 85 -14.552 8.786 0.152 1.00 55.13 C ATOM 1374 O TYR A 85 -15.003 9.848 0.593 1.00 64.12 O ATOM 1375 CB TYR A 85 -15.193 8.466 -2.264 1.00 51.51 C ATOM 1376 CG TYR A 85 -16.172 9.626 -2.315 1.00 23.21 C ATOM 1377 CD1 TYR A 85 -15.882 10.774 -3.046 1.00 74.33 C ATOM 1378 CD2 TYR A 85 -17.379 9.578 -1.625 1.00 5.33 C ATOM 1379 CE1 TYR A 85 -16.762 11.837 -3.087 1.00 23.11 C ATOM 1380 CE2 TYR A 85 -18.264 10.641 -1.658 1.00 51.13 C ATOM 1381 CZ TYR A 85 -17.950 11.767 -2.392 1.00 25.03 C ATOM 1382 OH TYR A 85 -18.830 12.831 -2.428 1.00 0.12 O ATOM 0 H TYR A 85 -13.333 6.853 -2.028 1.00 31.04 H new ATOM 0 HA TYR A 85 -13.544 9.632 -1.533 1.00 1.35 H new ATOM 0 HB2 TYR A 85 -14.790 8.297 -3.262 1.00 51.51 H new ATOM 0 HB3 TYR A 85 -15.729 7.561 -1.979 1.00 51.51 H new ATOM 0 HD1 TYR A 85 -14.952 10.835 -3.591 1.00 74.33 H new ATOM 0 HD2 TYR A 85 -17.629 8.696 -1.054 1.00 5.33 H new ATOM 0 HE1 TYR A 85 -16.521 12.719 -3.661 1.00 23.11 H new ATOM 0 HE2 TYR A 85 -19.195 10.590 -1.113 1.00 51.13 H new ATOM 0 HH TYR A 85 -19.620 12.621 -1.887 1.00 0.12 H new ATOM 1392 N GLU A 86 -14.488 7.671 0.874 1.00 30.11 N ATOM 1393 CA GLU A 86 -14.909 7.629 2.272 1.00 11.13 C ATOM 1394 C GLU A 86 -13.898 8.363 3.158 1.00 50.25 C ATOM 1395 O GLU A 86 -14.218 9.371 3.799 1.00 2.24 O ATOM 1396 CB GLU A 86 -15.055 6.174 2.741 1.00 33.20 C ATOM 1397 CG GLU A 86 -16.077 5.366 1.947 1.00 75.54 C ATOM 1398 CD GLU A 86 -16.141 3.908 2.377 1.00 74.22 C ATOM 1399 OE1 GLU A 86 -16.356 3.645 3.581 1.00 34.05 O ATOM 1400 OE2 GLU A 86 -15.995 3.015 1.514 1.00 63.11 O ATOM 0 H GLU A 86 -14.147 6.780 0.512 1.00 30.11 H new ATOM 0 HA GLU A 86 -15.875 8.127 2.355 1.00 11.13 H new ATOM 0 HB2 GLU A 86 -14.085 5.682 2.672 1.00 33.20 H new ATOM 0 HB3 GLU A 86 -15.341 6.169 3.793 1.00 33.20 H new ATOM 0 HG2 GLU A 86 -17.062 5.818 2.065 1.00 75.54 H new ATOM 0 HG3 GLU A 86 -15.828 5.417 0.887 1.00 75.54 H new ATOM 1407 N TYR A 87 -12.673 7.853 3.175 1.00 52.03 N ATOM 1408 CA TYR A 87 -11.622 8.385 4.042 1.00 64.01 C ATOM 1409 C TYR A 87 -10.976 9.635 3.445 1.00 31.05 C ATOM 1410 O TYR A 87 -10.914 10.683 4.092 1.00 12.35 O ATOM 1411 CB TYR A 87 -10.553 7.314 4.295 1.00 72.33 C ATOM 1412 CG TYR A 87 -11.034 6.147 5.141 1.00 15.33 C ATOM 1413 CD1 TYR A 87 -11.734 5.087 4.573 1.00 11.55 C ATOM 1414 CD2 TYR A 87 -10.778 6.105 6.508 1.00 52.04 C ATOM 1415 CE1 TYR A 87 -12.164 4.022 5.342 1.00 25.34 C ATOM 1416 CE2 TYR A 87 -11.201 5.041 7.281 1.00 14.41 C ATOM 1417 CZ TYR A 87 -11.894 4.004 6.696 1.00 62.21 C ATOM 1418 OH TYR A 87 -12.305 2.935 7.465 1.00 2.42 O ATOM 0 H TYR A 87 -12.379 7.067 2.596 1.00 52.03 H new ATOM 0 HA TYR A 87 -12.085 8.667 4.988 1.00 64.01 H new ATOM 0 HB2 TYR A 87 -10.201 6.933 3.336 1.00 72.33 H new ATOM 0 HB3 TYR A 87 -9.698 7.778 4.787 1.00 72.33 H new ATOM 0 HD1 TYR A 87 -11.945 5.097 3.514 1.00 11.55 H new ATOM 0 HD2 TYR A 87 -10.240 6.918 6.973 1.00 52.04 H new ATOM 0 HE1 TYR A 87 -12.708 3.208 4.886 1.00 25.34 H new ATOM 0 HE2 TYR A 87 -10.989 5.022 8.340 1.00 14.41 H new ATOM 0 HH TYR A 87 -12.035 3.079 8.396 1.00 2.42 H new ATOM 1428 N CYS A 88 -10.505 9.525 2.209 1.00 1.51 N ATOM 1429 CA CYS A 88 -9.750 10.604 1.582 1.00 10.40 C ATOM 1430 C CYS A 88 -10.633 11.405 0.619 1.00 34.13 C ATOM 1431 O CYS A 88 -10.592 11.211 -0.597 1.00 53.34 O ATOM 1432 CB CYS A 88 -8.516 10.046 0.854 1.00 54.14 C ATOM 1433 SG CYS A 88 -7.205 11.279 0.585 1.00 43.00 S ATOM 0 H CYS A 88 -10.632 8.701 1.621 1.00 1.51 H new ATOM 0 HA CYS A 88 -9.410 11.281 2.366 1.00 10.40 H new ATOM 0 HB2 CYS A 88 -8.109 9.216 1.432 1.00 54.14 H new ATOM 0 HB3 CYS A 88 -8.826 9.642 -0.110 1.00 54.14 H new ATOM 1438 N ASN A 89 -11.460 12.280 1.188 1.00 4.14 N ATOM 1439 CA ASN A 89 -12.330 13.158 0.405 1.00 11.13 C ATOM 1440 C ASN A 89 -11.682 14.531 0.241 1.00 21.45 C ATOM 1441 O ASN A 89 -11.696 15.114 -0.845 1.00 0.22 O ATOM 1442 CB ASN A 89 -13.695 13.314 1.096 1.00 10.22 C ATOM 1443 CG ASN A 89 -14.645 14.220 0.323 1.00 52.32 C ATOM 1444 OD1 ASN A 89 -14.644 14.237 -0.908 1.00 60.42 O ATOM 1445 ND2 ASN A 89 -15.456 14.988 1.036 1.00 14.12 N ATOM 0 H ASN A 89 -11.547 12.401 2.197 1.00 4.14 H new ATOM 0 HA ASN A 89 -12.477 12.709 -0.577 1.00 11.13 H new ATOM 0 HB2 ASN A 89 -14.152 12.332 1.214 1.00 10.22 H new ATOM 0 HB3 ASN A 89 -13.547 13.719 2.097 1.00 10.22 H new ATOM 0 HD21 ASN A 89 -16.106 15.618 0.566 1.00 14.12 H new ATOM 0 HD22 ASN A 89 -15.431 14.949 2.055 1.00 14.12 H new ATOM 1452 N PHE A 90 -11.108 15.027 1.334 1.00 51.41 N ATOM 1453 CA PHE A 90 -10.496 16.353 1.370 1.00 60.20 C ATOM 1454 C PHE A 90 -9.017 16.247 0.965 1.00 14.41 C ATOM 1455 O PHE A 90 -8.564 15.178 0.555 1.00 72.03 O ATOM 1456 CB PHE A 90 -10.649 16.934 2.791 1.00 32.10 C ATOM 1457 CG PHE A 90 -10.438 18.426 2.889 1.00 20.12 C ATOM 1458 CD1 PHE A 90 -11.278 19.303 2.214 1.00 64.21 C ATOM 1459 CD2 PHE A 90 -9.406 18.953 3.655 1.00 62.43 C ATOM 1460 CE1 PHE A 90 -11.091 20.669 2.299 1.00 54.23 C ATOM 1461 CE2 PHE A 90 -9.217 20.319 3.744 1.00 33.01 C ATOM 1462 CZ PHE A 90 -10.060 21.179 3.064 1.00 71.24 C ATOM 0 H PHE A 90 -11.054 14.522 2.219 1.00 51.41 H new ATOM 0 HA PHE A 90 -10.991 17.021 0.665 1.00 60.20 H new ATOM 0 HB2 PHE A 90 -11.647 16.697 3.160 1.00 32.10 H new ATOM 0 HB3 PHE A 90 -9.938 16.436 3.451 1.00 32.10 H new ATOM 0 HD1 PHE A 90 -12.087 18.912 1.615 1.00 64.21 H new ATOM 0 HD2 PHE A 90 -8.743 18.287 4.188 1.00 62.43 H new ATOM 0 HE1 PHE A 90 -11.751 21.338 1.767 1.00 54.23 H new ATOM 0 HE2 PHE A 90 -8.411 20.715 4.344 1.00 33.01 H new ATOM 0 HZ PHE A 90 -9.913 22.247 3.131 1.00 71.24 H new ATOM 1472 N GLY A 91 -8.277 17.351 1.068 1.00 44.31 N ATOM 1473 CA GLY A 91 -6.865 17.355 0.712 1.00 42.50 C ATOM 1474 C GLY A 91 -6.030 16.417 1.571 1.00 41.54 C ATOM 1475 O GLY A 91 -5.404 16.842 2.547 1.00 70.42 O ATOM 0 H GLY A 91 -8.634 18.249 1.394 1.00 44.31 H new ATOM 0 HA2 GLY A 91 -6.760 17.070 -0.335 1.00 42.50 H new ATOM 0 HA3 GLY A 91 -6.475 18.369 0.807 1.00 42.50 H new ATOM 1479 N CYS A 92 -6.030 15.140 1.212 1.00 4.43 N ATOM 1480 CA CYS A 92 -5.229 14.125 1.891 1.00 72.45 C ATOM 1481 C CYS A 92 -4.401 13.344 0.869 1.00 64.22 C ATOM 1482 O CYS A 92 -4.368 13.706 -0.308 1.00 23.03 O ATOM 1483 CB CYS A 92 -6.143 13.198 2.705 1.00 52.12 C ATOM 1484 SG CYS A 92 -7.705 12.769 1.871 1.00 42.05 S ATOM 0 H CYS A 92 -6.587 14.776 0.439 1.00 4.43 H new ATOM 0 HA CYS A 92 -4.538 14.606 2.583 1.00 72.45 H new ATOM 0 HB2 CYS A 92 -5.601 12.280 2.932 1.00 52.12 H new ATOM 0 HB3 CYS A 92 -6.372 13.677 3.657 1.00 52.12 H new ATOM 1489 N ALA A 93 -3.725 12.284 1.313 1.00 51.11 N ATOM 1490 CA ALA A 93 -2.801 11.553 0.452 1.00 72.54 C ATOM 1491 C ALA A 93 -2.833 10.052 0.733 1.00 75.32 C ATOM 1492 O ALA A 93 -3.238 9.622 1.819 1.00 21.43 O ATOM 1493 CB ALA A 93 -1.389 12.093 0.637 1.00 45.13 C ATOM 0 H ALA A 93 -3.801 11.915 2.261 1.00 51.11 H new ATOM 0 HA ALA A 93 -3.116 11.700 -0.581 1.00 72.54 H new ATOM 0 HB1 ALA A 93 -0.702 11.544 -0.008 1.00 45.13 H new ATOM 0 HB2 ALA A 93 -1.367 13.151 0.374 1.00 45.13 H new ATOM 0 HB3 ALA A 93 -1.086 11.971 1.677 1.00 45.13 H new ATOM 1499 N TYR A 94 -2.402 9.269 -0.261 1.00 64.42 N ATOM 1500 CA TYR A 94 -2.276 7.817 -0.126 1.00 63.41 C ATOM 1501 C TYR A 94 -1.432 7.263 -1.277 1.00 11.31 C ATOM 1502 O TYR A 94 -1.012 8.011 -2.165 1.00 41.44 O ATOM 1503 CB TYR A 94 -3.659 7.130 -0.093 1.00 55.25 C ATOM 1504 CG TYR A 94 -4.414 7.144 -1.413 1.00 53.41 C ATOM 1505 CD1 TYR A 94 -4.203 6.149 -2.367 1.00 61.11 C ATOM 1506 CD2 TYR A 94 -5.339 8.141 -1.705 1.00 23.31 C ATOM 1507 CE1 TYR A 94 -4.883 6.152 -3.564 1.00 4.02 C ATOM 1508 CE2 TYR A 94 -6.025 8.147 -2.904 1.00 64.12 C ATOM 1509 CZ TYR A 94 -5.794 7.152 -3.829 1.00 43.20 C ATOM 1510 OH TYR A 94 -6.472 7.157 -5.026 1.00 62.41 O ATOM 0 H TYR A 94 -2.132 9.624 -1.178 1.00 64.42 H new ATOM 0 HA TYR A 94 -1.781 7.604 0.821 1.00 63.41 H new ATOM 0 HB2 TYR A 94 -3.527 6.095 0.222 1.00 55.25 H new ATOM 0 HB3 TYR A 94 -4.272 7.618 0.665 1.00 55.25 H new ATOM 0 HD1 TYR A 94 -3.493 5.361 -2.163 1.00 61.11 H new ATOM 0 HD2 TYR A 94 -5.524 8.923 -0.983 1.00 23.31 H new ATOM 0 HE1 TYR A 94 -4.704 5.375 -4.292 1.00 4.02 H new ATOM 0 HE2 TYR A 94 -6.740 8.929 -3.116 1.00 64.12 H new ATOM 0 HH TYR A 94 -5.829 7.162 -5.766 1.00 62.41 H new ATOM 1520 N PHE A 95 -1.191 5.953 -1.259 1.00 13.21 N ATOM 1521 CA PHE A 95 -0.419 5.284 -2.310 1.00 62.14 C ATOM 1522 C PHE A 95 -0.802 3.804 -2.392 1.00 32.04 C ATOM 1523 O PHE A 95 -1.280 3.231 -1.413 1.00 55.32 O ATOM 1524 CB PHE A 95 1.087 5.444 -2.046 1.00 33.54 C ATOM 1525 CG PHE A 95 1.527 4.942 -0.694 1.00 23.31 C ATOM 1526 CD1 PHE A 95 1.437 5.754 0.428 1.00 54.10 C ATOM 1527 CD2 PHE A 95 2.029 3.660 -0.544 1.00 51.13 C ATOM 1528 CE1 PHE A 95 1.839 5.294 1.666 1.00 71.15 C ATOM 1529 CE2 PHE A 95 2.431 3.195 0.692 1.00 61.32 C ATOM 1530 CZ PHE A 95 2.337 4.012 1.798 1.00 40.12 C ATOM 0 H PHE A 95 -1.521 5.328 -0.523 1.00 13.21 H new ATOM 0 HA PHE A 95 -0.651 5.750 -3.268 1.00 62.14 H new ATOM 0 HB2 PHE A 95 1.640 4.910 -2.819 1.00 33.54 H new ATOM 0 HB3 PHE A 95 1.352 6.498 -2.135 1.00 33.54 H new ATOM 0 HD1 PHE A 95 1.048 6.757 0.331 1.00 54.10 H new ATOM 0 HD2 PHE A 95 2.107 3.015 -1.407 1.00 51.13 H new ATOM 0 HE1 PHE A 95 1.764 5.936 2.531 1.00 71.15 H new ATOM 0 HE2 PHE A 95 2.819 2.192 0.792 1.00 61.32 H new ATOM 0 HZ PHE A 95 2.652 3.651 2.766 1.00 40.12 H new ATOM 1540 N VAL A 96 -0.585 3.197 -3.563 1.00 33.33 N ATOM 1541 CA VAL A 96 -0.979 1.804 -3.811 1.00 70.12 C ATOM 1542 C VAL A 96 0.198 0.987 -4.357 1.00 64.24 C ATOM 1543 O VAL A 96 0.814 1.365 -5.361 1.00 44.52 O ATOM 1544 CB VAL A 96 -2.151 1.726 -4.827 1.00 52.54 C ATOM 1545 CG1 VAL A 96 -2.637 0.283 -4.991 1.00 1.33 C ATOM 1546 CG2 VAL A 96 -3.299 2.647 -4.409 1.00 22.31 C ATOM 0 H VAL A 96 -0.136 3.650 -4.359 1.00 33.33 H new ATOM 0 HA VAL A 96 -1.298 1.389 -2.855 1.00 70.12 H new ATOM 0 HB VAL A 96 -1.782 2.068 -5.794 1.00 52.54 H new ATOM 0 HG11 VAL A 96 -3.458 0.255 -5.707 1.00 1.33 H new ATOM 0 HG12 VAL A 96 -1.818 -0.338 -5.353 1.00 1.33 H new ATOM 0 HG13 VAL A 96 -2.982 -0.096 -4.029 1.00 1.33 H new ATOM 0 HG21 VAL A 96 -4.107 2.574 -5.137 1.00 22.31 H new ATOM 0 HG22 VAL A 96 -3.666 2.348 -3.427 1.00 22.31 H new ATOM 0 HG23 VAL A 96 -2.942 3.676 -4.365 1.00 22.31 H new ATOM 1556 N LEU A 97 0.501 -0.130 -3.694 1.00 40.15 N ATOM 1557 CA LEU A 97 1.554 -1.049 -4.135 1.00 53.11 C ATOM 1558 C LEU A 97 0.949 -2.351 -4.659 1.00 52.31 C ATOM 1559 O LEU A 97 -0.076 -2.817 -4.152 1.00 50.22 O ATOM 1560 CB LEU A 97 2.532 -1.361 -2.985 1.00 24.13 C ATOM 1561 CG LEU A 97 3.643 -0.323 -2.742 1.00 24.25 C ATOM 1562 CD1 LEU A 97 3.061 1.037 -2.385 1.00 50.41 C ATOM 1563 CD2 LEU A 97 4.589 -0.802 -1.646 1.00 72.22 C ATOM 0 H LEU A 97 0.027 -0.423 -2.840 1.00 40.15 H new ATOM 0 HA LEU A 97 2.103 -0.560 -4.940 1.00 53.11 H new ATOM 0 HB2 LEU A 97 1.957 -1.470 -2.065 1.00 24.13 H new ATOM 0 HB3 LEU A 97 3.000 -2.325 -3.184 1.00 24.13 H new ATOM 0 HG LEU A 97 4.206 -0.213 -3.669 1.00 24.25 H new ATOM 0 HD11 LEU A 97 3.871 1.747 -2.220 1.00 50.41 H new ATOM 0 HD12 LEU A 97 2.431 1.389 -3.202 1.00 50.41 H new ATOM 0 HD13 LEU A 97 2.464 0.950 -1.477 1.00 50.41 H new ATOM 0 HD21 LEU A 97 5.368 -0.057 -1.487 1.00 72.22 H new ATOM 0 HD22 LEU A 97 4.031 -0.947 -0.721 1.00 72.22 H new ATOM 0 HD23 LEU A 97 5.045 -1.746 -1.946 1.00 72.22 H new ATOM 1575 N LYS A 98 1.599 -2.927 -5.665 1.00 5.02 N ATOM 1576 CA LYS A 98 1.149 -4.170 -6.298 1.00 32.45 C ATOM 1577 C LYS A 98 2.184 -5.281 -6.090 1.00 50.25 C ATOM 1578 O LYS A 98 3.369 -5.083 -6.354 1.00 14.11 O ATOM 1579 CB LYS A 98 0.919 -3.912 -7.794 1.00 5.34 C ATOM 1580 CG LYS A 98 0.456 -5.125 -8.593 1.00 2.00 C ATOM 1581 CD LYS A 98 0.063 -4.720 -10.013 1.00 52.12 C ATOM 1582 CE LYS A 98 -0.393 -5.908 -10.857 1.00 51.24 C ATOM 1583 NZ LYS A 98 -0.953 -5.465 -12.164 1.00 2.34 N ATOM 0 H LYS A 98 2.455 -2.547 -6.068 1.00 5.02 H new ATOM 0 HA LYS A 98 0.215 -4.497 -5.842 1.00 32.45 H new ATOM 0 HB2 LYS A 98 0.177 -3.121 -7.901 1.00 5.34 H new ATOM 0 HB3 LYS A 98 1.846 -3.541 -8.230 1.00 5.34 H new ATOM 0 HG2 LYS A 98 1.252 -5.868 -8.629 1.00 2.00 H new ATOM 0 HG3 LYS A 98 -0.394 -5.592 -8.095 1.00 2.00 H new ATOM 0 HD2 LYS A 98 -0.738 -3.982 -9.968 1.00 52.12 H new ATOM 0 HD3 LYS A 98 0.912 -4.239 -10.498 1.00 52.12 H new ATOM 0 HE2 LYS A 98 0.449 -6.578 -11.029 1.00 51.24 H new ATOM 0 HE3 LYS A 98 -1.146 -6.476 -10.311 1.00 51.24 H new ATOM 0 HZ1 LYS A 98 -1.253 -6.296 -12.713 1.00 2.34 H new ATOM 0 HZ2 LYS A 98 -1.772 -4.845 -11.999 1.00 2.34 H new ATOM 0 HZ3 LYS A 98 -0.226 -4.944 -12.695 1.00 2.34 H new ATOM 1597 N ARG A 99 1.728 -6.438 -5.609 1.00 33.34 N ATOM 1598 CA ARG A 99 2.616 -7.559 -5.290 1.00 5.54 C ATOM 1599 C ARG A 99 3.072 -8.290 -6.546 1.00 41.14 C ATOM 1600 O ARG A 99 2.277 -8.942 -7.227 1.00 15.12 O ATOM 1601 CB ARG A 99 1.909 -8.538 -4.341 1.00 41.33 C ATOM 1602 CG ARG A 99 2.692 -9.813 -4.009 1.00 44.14 C ATOM 1603 CD ARG A 99 4.020 -9.522 -3.319 1.00 33.44 C ATOM 1604 NE ARG A 99 4.598 -10.727 -2.702 1.00 53.51 N ATOM 1605 CZ ARG A 99 5.776 -11.261 -3.032 1.00 23.22 C ATOM 1606 NH1 ARG A 99 6.467 -10.784 -4.064 1.00 21.32 N ATOM 1607 NH2 ARG A 99 6.252 -12.293 -2.342 1.00 2.15 N ATOM 0 H ARG A 99 0.741 -6.625 -5.430 1.00 33.34 H new ATOM 0 HA ARG A 99 3.501 -7.153 -4.800 1.00 5.54 H new ATOM 0 HB2 ARG A 99 1.685 -8.017 -3.410 1.00 41.33 H new ATOM 0 HB3 ARG A 99 0.955 -8.823 -4.785 1.00 41.33 H new ATOM 0 HG2 ARG A 99 2.085 -10.451 -3.367 1.00 44.14 H new ATOM 0 HG3 ARG A 99 2.878 -10.370 -4.927 1.00 44.14 H new ATOM 0 HD2 ARG A 99 4.723 -9.114 -4.045 1.00 33.44 H new ATOM 0 HD3 ARG A 99 3.872 -8.759 -2.555 1.00 33.44 H new ATOM 0 HE ARG A 99 4.059 -11.188 -1.969 1.00 53.51 H new ATOM 0 HH11 ARG A 99 6.097 -10.005 -4.609 1.00 21.32 H new ATOM 0 HH12 ARG A 99 7.366 -11.197 -4.310 1.00 21.32 H new ATOM 0 HH21 ARG A 99 5.717 -12.675 -1.562 1.00 2.15 H new ATOM 0 HH22 ARG A 99 7.152 -12.702 -2.593 1.00 2.15 H new ATOM 1621 N ILE A 100 4.355 -8.166 -6.847 1.00 12.35 N ATOM 1622 CA ILE A 100 4.973 -8.925 -7.922 1.00 4.44 C ATOM 1623 C ILE A 100 5.510 -10.235 -7.349 1.00 24.33 C ATOM 1624 O ILE A 100 6.431 -10.227 -6.531 1.00 51.52 O ATOM 1625 CB ILE A 100 6.130 -8.134 -8.587 1.00 20.41 C ATOM 1626 CG1 ILE A 100 5.679 -6.700 -8.919 1.00 41.23 C ATOM 1627 CG2 ILE A 100 6.620 -8.855 -9.843 1.00 43.02 C ATOM 1628 CD1 ILE A 100 4.433 -6.632 -9.779 1.00 64.03 C ATOM 0 H ILE A 100 4.994 -7.540 -6.356 1.00 12.35 H new ATOM 0 HA ILE A 100 4.222 -9.120 -8.688 1.00 4.44 H new ATOM 0 HB ILE A 100 6.961 -8.076 -7.883 1.00 20.41 H new ATOM 0 HG12 ILE A 100 5.496 -6.162 -7.989 1.00 41.23 H new ATOM 0 HG13 ILE A 100 6.491 -6.184 -9.431 1.00 41.23 H new ATOM 0 HG21 ILE A 100 7.432 -8.286 -10.296 1.00 43.02 H new ATOM 0 HG22 ILE A 100 6.979 -9.849 -9.575 1.00 43.02 H new ATOM 0 HG23 ILE A 100 5.799 -8.945 -10.554 1.00 43.02 H new ATOM 0 HD11 ILE A 100 4.179 -5.589 -9.970 1.00 64.03 H new ATOM 0 HD12 ILE A 100 4.616 -7.140 -10.726 1.00 64.03 H new ATOM 0 HD13 ILE A 100 3.606 -7.118 -9.261 1.00 64.03 H new ATOM 1640 N ARG A 101 4.918 -11.354 -7.749 1.00 61.24 N ATOM 1641 CA ARG A 101 5.287 -12.660 -7.203 1.00 20.45 C ATOM 1642 C ARG A 101 6.581 -13.199 -7.826 1.00 73.12 C ATOM 1643 O ARG A 101 6.589 -14.254 -8.460 1.00 5.52 O ATOM 1644 CB ARG A 101 4.135 -13.661 -7.386 1.00 31.15 C ATOM 1645 CG ARG A 101 2.984 -13.455 -6.399 1.00 42.30 C ATOM 1646 CD ARG A 101 1.832 -14.425 -6.648 1.00 43.13 C ATOM 1647 NE ARG A 101 0.984 -14.007 -7.768 1.00 3.01 N ATOM 1648 CZ ARG A 101 0.931 -14.619 -8.953 1.00 0.40 C ATOM 1649 NH1 ARG A 101 1.721 -15.652 -9.217 1.00 50.44 N ATOM 1650 NH2 ARG A 101 0.084 -14.195 -9.881 1.00 4.42 N ATOM 0 H ARG A 101 4.179 -11.386 -8.451 1.00 61.24 H new ATOM 0 HA ARG A 101 5.475 -12.530 -6.137 1.00 20.45 H new ATOM 0 HB2 ARG A 101 3.750 -13.578 -8.403 1.00 31.15 H new ATOM 0 HB3 ARG A 101 4.523 -14.673 -7.273 1.00 31.15 H new ATOM 0 HG2 ARG A 101 3.352 -13.584 -5.381 1.00 42.30 H new ATOM 0 HG3 ARG A 101 2.618 -12.431 -6.478 1.00 42.30 H new ATOM 0 HD2 ARG A 101 2.234 -15.418 -6.850 1.00 43.13 H new ATOM 0 HD3 ARG A 101 1.225 -14.504 -5.746 1.00 43.13 H new ATOM 0 HE ARG A 101 0.391 -13.188 -7.632 1.00 3.01 H new ATOM 0 HH11 ARG A 101 2.377 -15.986 -8.511 1.00 50.44 H new ATOM 0 HH12 ARG A 101 1.672 -16.112 -10.126 1.00 50.44 H new ATOM 0 HH21 ARG A 101 -0.527 -13.401 -9.689 1.00 4.42 H new ATOM 0 HH22 ARG A 101 0.044 -14.663 -10.787 1.00 4.42 H new ATOM 1664 N LYS A 102 7.672 -12.459 -7.635 1.00 73.04 N ATOM 1665 CA LYS A 102 9.001 -12.901 -8.050 1.00 11.53 C ATOM 1666 C LYS A 102 9.991 -12.716 -6.898 1.00 3.41 C ATOM 1667 O LYS A 102 10.445 -13.697 -6.304 1.00 22.35 O ATOM 1668 CB LYS A 102 9.476 -12.130 -9.295 1.00 62.42 C ATOM 1669 CG LYS A 102 8.698 -12.454 -10.571 1.00 44.23 C ATOM 1670 CD LYS A 102 8.792 -13.938 -10.925 1.00 30.42 C ATOM 1671 CE LYS A 102 8.099 -14.262 -12.245 1.00 50.12 C ATOM 1672 NZ LYS A 102 8.761 -13.596 -13.397 1.00 62.00 N ATOM 0 H LYS A 102 7.660 -11.541 -7.191 1.00 73.04 H new ATOM 0 HA LYS A 102 8.949 -13.958 -8.311 1.00 11.53 H new ATOM 0 HB2 LYS A 102 9.398 -11.061 -9.097 1.00 62.42 H new ATOM 0 HB3 LYS A 102 10.531 -12.347 -9.462 1.00 62.42 H new ATOM 0 HG2 LYS A 102 7.652 -12.176 -10.441 1.00 44.23 H new ATOM 0 HG3 LYS A 102 9.086 -11.857 -11.396 1.00 44.23 H new ATOM 0 HD2 LYS A 102 9.841 -14.229 -10.986 1.00 30.42 H new ATOM 0 HD3 LYS A 102 8.343 -14.529 -10.127 1.00 30.42 H new ATOM 0 HE2 LYS A 102 8.100 -15.341 -12.400 1.00 50.12 H new ATOM 0 HE3 LYS A 102 7.056 -13.948 -12.194 1.00 50.12 H new ATOM 0 HZ1 LYS A 102 8.408 -14.007 -14.285 1.00 62.00 H new ATOM 0 HZ2 LYS A 102 8.549 -12.578 -13.378 1.00 62.00 H new ATOM 0 HZ3 LYS A 102 9.790 -13.737 -13.335 1.00 62.00 H new ATOM 1686 N LEU A 103 10.295 -11.453 -6.581 1.00 22.41 N ATOM 1687 CA LEU A 103 11.206 -11.099 -5.485 1.00 23.45 C ATOM 1688 C LEU A 103 12.616 -11.615 -5.775 1.00 71.00 C ATOM 1689 O LEU A 103 12.909 -12.802 -5.590 1.00 61.04 O ATOM 1690 CB LEU A 103 10.674 -11.637 -4.133 1.00 40.32 C ATOM 1691 CG LEU A 103 11.361 -11.109 -2.848 1.00 3.22 C ATOM 1692 CD1 LEU A 103 12.745 -11.723 -2.640 1.00 50.21 C ATOM 1693 CD2 LEU A 103 11.450 -9.584 -2.867 1.00 40.24 C ATOM 0 H LEU A 103 9.917 -10.646 -7.077 1.00 22.41 H new ATOM 0 HA LEU A 103 11.255 -10.013 -5.411 1.00 23.45 H new ATOM 0 HB2 LEU A 103 9.611 -11.403 -4.070 1.00 40.32 H new ATOM 0 HB3 LEU A 103 10.762 -12.723 -4.142 1.00 40.32 H new ATOM 0 HG LEU A 103 10.740 -11.414 -2.006 1.00 3.22 H new ATOM 0 HD11 LEU A 103 13.187 -11.323 -1.728 1.00 50.21 H new ATOM 0 HD12 LEU A 103 12.654 -12.806 -2.554 1.00 50.21 H new ATOM 0 HD13 LEU A 103 13.383 -11.479 -3.490 1.00 50.21 H new ATOM 0 HD21 LEU A 103 11.936 -9.236 -1.955 1.00 40.24 H new ATOM 0 HD22 LEU A 103 12.031 -9.264 -3.732 1.00 40.24 H new ATOM 0 HD23 LEU A 103 10.447 -9.162 -2.927 1.00 40.24 H new