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= 0.905 K(o=2.2,f=-3.7!) USER MOD Set 1.2: A 94 TYR OH : rot 109:sc= 1.32 USER MOD Set 2.1: A 83 TYR OH : rot -154:sc= 0.719 USER MOD Set 2.2: A 87 TYR OH : rot -158:sc= 0.742 USER MOD Set 3.1: A 48 TYR OH : rot 180:sc= 0.878 USER MOD Set 3.2: A 98 LYS NZ :NH3+ 169:sc= 2.71 (180deg=1.09) USER MOD Set 4.1: A 39 TYR OH : rot 180:sc= -0.429 USER MOD Set 4.2: A 44 ASN : amide:sc= -1.78 K(o=-2.2,f=-7.2!) USER MOD Single : A 12 MET CE :methyl -161:sc= -0.189 (180deg=-0.714) USER MOD Single : A 16 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.19) USER MOD Single : A 17 ASN :FLIP amide:sc= -0.138 F(o=-2.5!,f=-0.14) USER MOD Single : A 25 ASN : amide:sc= -2.4! C(o=-2.4!,f=-5.7!) USER MOD Single : A 27 LYS NZ :NH3+ -116:sc= -0.0379 (180deg=-0.114) USER MOD Single : A 31 ASN : amide:sc= -1.46! C(o=-1.5!,f=-11!) USER MOD Single : A 36 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00538) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -33:sc= 0.0776 USER MOD Single : A 76 LYS NZ :NH3+ 140:sc= 1.16 (180deg=-0.597) 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 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.463 K(o=-0.46,f=-2!) USER MOD Single : A 102 LYS NZ :NH3+ -161:sc= 0.698 (180deg=-0.163) USER MOD ----------------------------------------------------------------- ATOM 135 N GLY A 9 10.356 -0.505 -14.654 1.00 55.31 N ATOM 136 CA GLY A 9 9.190 0.179 -14.131 1.00 55.30 C ATOM 137 C GLY A 9 9.512 1.610 -13.780 1.00 22.00 C ATOM 138 O GLY A 9 9.772 2.425 -14.671 1.00 50.01 O ATOM 0 HA2 GLY A 9 8.388 0.154 -14.869 1.00 55.30 H new ATOM 0 HA3 GLY A 9 8.825 -0.342 -13.246 1.00 55.30 H new ATOM 142 N GLU A 10 9.519 1.922 -12.491 1.00 1.03 N ATOM 143 CA GLU A 10 9.909 3.248 -12.025 1.00 3.41 C ATOM 144 C GLU A 10 10.303 3.200 -10.552 1.00 13.23 C ATOM 145 O GLU A 10 11.444 3.507 -10.196 1.00 14.12 O ATOM 146 CB GLU A 10 8.769 4.256 -12.250 1.00 13.32 C ATOM 147 CG GLU A 10 9.137 5.692 -11.889 1.00 21.52 C ATOM 148 CD GLU A 10 8.086 6.697 -12.330 1.00 42.23 C ATOM 149 OE1 GLU A 10 8.142 7.142 -13.498 1.00 33.41 O ATOM 150 OE2 GLU A 10 7.204 7.050 -11.515 1.00 41.31 O ATOM 0 H GLU A 10 9.259 1.274 -11.747 1.00 1.03 H new ATOM 0 HA GLU A 10 10.774 3.577 -12.601 1.00 3.41 H new ATOM 0 HB2 GLU A 10 8.466 4.220 -13.297 1.00 13.32 H new ATOM 0 HB3 GLU A 10 7.906 3.952 -11.658 1.00 13.32 H new ATOM 0 HG2 GLU A 10 9.275 5.767 -10.810 1.00 21.52 H new ATOM 0 HG3 GLU A 10 10.091 5.945 -12.351 1.00 21.52 H new ATOM 157 N ILE A 11 9.359 2.799 -9.701 1.00 21.24 N ATOM 158 CA ILE A 11 9.589 2.720 -8.260 1.00 14.52 C ATOM 159 C ILE A 11 9.134 1.360 -7.722 1.00 63.00 C ATOM 160 O ILE A 11 7.939 1.117 -7.551 1.00 1.03 O ATOM 161 CB ILE A 11 8.840 3.850 -7.501 1.00 23.04 C ATOM 162 CG1 ILE A 11 9.267 5.234 -8.024 1.00 42.34 C ATOM 163 CG2 ILE A 11 9.090 3.744 -5.994 1.00 72.25 C ATOM 164 CD1 ILE A 11 8.516 6.389 -7.391 1.00 44.21 C ATOM 0 H ILE A 11 8.420 2.522 -9.989 1.00 21.24 H new ATOM 0 HA ILE A 11 10.659 2.842 -8.093 1.00 14.52 H new ATOM 0 HB ILE A 11 7.772 3.732 -7.682 1.00 23.04 H new ATOM 0 HG12 ILE A 11 10.334 5.366 -7.845 1.00 42.34 H new ATOM 0 HG13 ILE A 11 9.119 5.265 -9.103 1.00 42.34 H new ATOM 0 HG21 ILE A 11 8.557 4.544 -5.480 1.00 72.25 H new ATOM 0 HG22 ILE A 11 8.733 2.779 -5.633 1.00 72.25 H new ATOM 0 HG23 ILE A 11 10.158 3.833 -5.795 1.00 72.25 H new ATOM 0 HD11 ILE A 11 8.873 7.329 -7.811 1.00 44.21 H new ATOM 0 HD12 ILE A 11 7.450 6.284 -7.592 1.00 44.21 H new ATOM 0 HD13 ILE A 11 8.684 6.386 -6.314 1.00 44.21 H new ATOM 176 N MET A 12 10.092 0.472 -7.482 1.00 74.10 N ATOM 177 CA MET A 12 9.808 -0.851 -6.923 1.00 11.34 C ATOM 178 C MET A 12 10.263 -0.906 -5.467 1.00 72.11 C ATOM 179 O MET A 12 11.353 -0.440 -5.129 1.00 65.40 O ATOM 180 CB MET A 12 10.486 -1.957 -7.751 1.00 54.31 C ATOM 181 CG MET A 12 12.001 -1.815 -7.882 1.00 61.00 C ATOM 182 SD MET A 12 12.499 -0.285 -8.702 1.00 0.33 S ATOM 183 CE MET A 12 11.610 -0.417 -10.254 1.00 62.13 C ATOM 0 H MET A 12 11.080 0.643 -7.666 1.00 74.10 H new ATOM 0 HA MET A 12 8.732 -1.023 -6.962 1.00 11.34 H new ATOM 0 HB2 MET A 12 10.263 -2.922 -7.296 1.00 54.31 H new ATOM 0 HB3 MET A 12 10.047 -1.966 -8.749 1.00 54.31 H new ATOM 0 HG2 MET A 12 12.451 -1.852 -6.890 1.00 61.00 H new ATOM 0 HG3 MET A 12 12.393 -2.665 -8.441 1.00 61.00 H new ATOM 0 HE1 MET A 12 12.059 0.251 -10.989 1.00 62.13 H new ATOM 0 HE2 MET A 12 11.662 -1.443 -10.617 1.00 62.13 H new ATOM 0 HE3 MET A 12 10.567 -0.139 -10.101 1.00 62.13 H new ATOM 193 N ILE A 13 9.420 -1.465 -4.606 1.00 15.14 N ATOM 194 CA ILE A 13 9.671 -1.472 -3.166 1.00 43.10 C ATOM 195 C ILE A 13 9.992 -2.884 -2.683 1.00 30.35 C ATOM 196 O ILE A 13 9.115 -3.749 -2.650 1.00 13.12 O ATOM 197 CB ILE A 13 8.443 -0.936 -2.386 1.00 12.12 C ATOM 198 CG1 ILE A 13 7.918 0.358 -3.028 1.00 62.22 C ATOM 199 CG2 ILE A 13 8.794 -0.701 -0.914 1.00 25.41 C ATOM 200 CD1 ILE A 13 8.945 1.466 -3.121 1.00 13.23 C ATOM 0 H ILE A 13 8.551 -1.923 -4.881 1.00 15.14 H new ATOM 0 HA ILE A 13 10.525 -0.821 -2.978 1.00 43.10 H new ATOM 0 HB ILE A 13 7.656 -1.688 -2.433 1.00 12.12 H new ATOM 0 HG12 ILE A 13 7.553 0.131 -4.030 1.00 62.22 H new ATOM 0 HG13 ILE A 13 7.065 0.716 -2.452 1.00 62.22 H new ATOM 0 HG21 ILE A 13 7.917 -0.325 -0.386 1.00 25.41 H new ATOM 0 HG22 ILE A 13 9.115 -1.640 -0.462 1.00 25.41 H new ATOM 0 HG23 ILE A 13 9.600 0.029 -0.844 1.00 25.41 H new ATOM 0 HD11 ILE A 13 8.493 2.343 -3.586 1.00 13.23 H new ATOM 0 HD12 ILE A 13 9.293 1.724 -2.121 1.00 13.23 H new ATOM 0 HD13 ILE A 13 9.789 1.130 -3.724 1.00 13.23 H new ATOM 212 N LEU A 14 11.251 -3.114 -2.327 1.00 52.04 N ATOM 213 CA LEU A 14 11.685 -4.417 -1.826 1.00 32.42 C ATOM 214 C LEU A 14 11.761 -4.393 -0.303 1.00 22.43 C ATOM 215 O LEU A 14 12.413 -3.527 0.288 1.00 42.51 O ATOM 216 CB LEU A 14 13.043 -4.818 -2.432 1.00 71.15 C ATOM 217 CG LEU A 14 12.999 -5.328 -3.890 1.00 54.03 C ATOM 218 CD1 LEU A 14 12.496 -4.249 -4.841 1.00 21.11 C ATOM 219 CD2 LEU A 14 14.374 -5.830 -4.328 1.00 50.41 C ATOM 0 H LEU A 14 11.992 -2.415 -2.376 1.00 52.04 H new ATOM 0 HA LEU A 14 10.952 -5.164 -2.129 1.00 32.42 H new ATOM 0 HB2 LEU A 14 13.709 -3.956 -2.387 1.00 71.15 H new ATOM 0 HB3 LEU A 14 13.484 -5.595 -1.807 1.00 71.15 H new ATOM 0 HG LEU A 14 12.297 -6.161 -3.928 1.00 54.03 H new ATOM 0 HD11 LEU A 14 12.477 -4.640 -5.858 1.00 21.11 H new ATOM 0 HD12 LEU A 14 11.490 -3.947 -4.550 1.00 21.11 H new ATOM 0 HD13 LEU A 14 13.161 -3.386 -4.796 1.00 21.11 H new ATOM 0 HD21 LEU A 14 14.321 -6.185 -5.357 1.00 50.41 H new ATOM 0 HD22 LEU A 14 15.097 -5.017 -4.261 1.00 50.41 H new ATOM 0 HD23 LEU A 14 14.687 -6.647 -3.678 1.00 50.41 H new ATOM 231 N ILE A 15 11.093 -5.351 0.325 1.00 31.52 N ATOM 232 CA ILE A 15 10.985 -5.409 1.777 1.00 34.24 C ATOM 233 C ILE A 15 10.990 -6.880 2.230 1.00 3.51 C ATOM 234 O ILE A 15 11.221 -7.772 1.410 1.00 62.51 O ATOM 235 CB ILE A 15 9.695 -4.670 2.249 1.00 52.21 C ATOM 236 CG1 ILE A 15 9.775 -4.292 3.739 1.00 0.14 C ATOM 237 CG2 ILE A 15 8.448 -5.512 1.975 1.00 60.45 C ATOM 238 CD1 ILE A 15 8.573 -3.518 4.236 1.00 20.13 C ATOM 0 H ILE A 15 10.611 -6.110 -0.157 1.00 31.52 H new ATOM 0 HA ILE A 15 11.838 -4.906 2.232 1.00 34.24 H new ATOM 0 HB ILE A 15 9.620 -3.748 1.673 1.00 52.21 H new ATOM 0 HG12 ILE A 15 9.880 -5.202 4.330 1.00 0.14 H new ATOM 0 HG13 ILE A 15 10.673 -3.698 3.906 1.00 0.14 H new ATOM 0 HG21 ILE A 15 7.563 -4.973 2.314 1.00 60.45 H new ATOM 0 HG22 ILE A 15 8.367 -5.706 0.905 1.00 60.45 H new ATOM 0 HG23 ILE A 15 8.523 -6.459 2.510 1.00 60.45 H new ATOM 0 HD11 ILE A 15 8.701 -3.287 5.294 1.00 20.13 H new ATOM 0 HD12 ILE A 15 8.478 -2.591 3.671 1.00 20.13 H new ATOM 0 HD13 ILE A 15 7.673 -4.118 4.102 1.00 20.13 H new ATOM 250 N GLN A 16 10.755 -7.125 3.526 1.00 22.41 N ATOM 251 CA GLN A 16 10.778 -8.471 4.106 1.00 33.55 C ATOM 252 C GLN A 16 10.072 -9.506 3.220 1.00 1.42 C ATOM 253 O GLN A 16 8.842 -9.590 3.212 1.00 63.42 O ATOM 254 CB GLN A 16 10.122 -8.453 5.495 1.00 35.41 C ATOM 255 CG GLN A 16 10.865 -7.614 6.526 1.00 13.45 C ATOM 256 CD GLN A 16 12.291 -8.094 6.745 1.00 72.03 C ATOM 257 OE1 GLN A 16 13.224 -7.629 6.088 1.00 70.33 O ATOM 258 NE2 GLN A 16 12.470 -9.038 7.655 1.00 72.22 N ATOM 0 H GLN A 16 10.543 -6.392 4.202 1.00 22.41 H new ATOM 0 HA GLN A 16 11.824 -8.767 4.186 1.00 33.55 H new ATOM 0 HB2 GLN A 16 9.105 -8.073 5.399 1.00 35.41 H new ATOM 0 HB3 GLN A 16 10.047 -9.477 5.862 1.00 35.41 H new ATOM 0 HG2 GLN A 16 10.881 -6.574 6.201 1.00 13.45 H new ATOM 0 HG3 GLN A 16 10.325 -7.644 7.472 1.00 13.45 H new ATOM 0 HE21 GLN A 16 11.673 -9.399 8.179 1.00 72.22 H new ATOM 0 HE22 GLN A 16 13.405 -9.405 7.832 1.00 72.22 H new ATOM 267 N ASN A 17 10.870 -10.270 2.465 1.00 33.40 N ATOM 268 CA ASN A 17 10.367 -11.394 1.658 1.00 3.24 C ATOM 269 C ASN A 17 9.272 -10.942 0.695 1.00 43.12 C ATOM 270 O ASN A 17 8.418 -11.736 0.294 1.00 63.21 O ATOM 271 CB ASN A 17 9.833 -12.524 2.561 1.00 4.25 C ATOM 272 CG ASN A 17 10.919 -13.246 3.351 1.00 34.45 C ATOM 273 OD1 ASN A 17 11.943 -12.524 3.780 1.00 75.02 O flip ATOM 274 ND2 ASN A 17 10.821 -14.452 3.598 1.00 33.54 N flip ATOM 0 H ASN A 17 11.878 -10.130 2.394 1.00 33.40 H new ATOM 0 HA ASN A 17 11.205 -11.773 1.074 1.00 3.24 H new ATOM 0 HB2 ASN A 17 9.106 -12.107 3.258 1.00 4.25 H new ATOM 0 HB3 ASN A 17 9.303 -13.249 1.944 1.00 4.25 H new ATOM 0 HD21 ASN A 17 10.019 -14.980 3.253 1.00 33.54 H new ATOM 0 HD22 ASN A 17 11.542 -14.920 4.147 1.00 33.54 H new ATOM 281 N ALA A 18 9.318 -9.677 0.298 1.00 12.34 N ATOM 282 CA ALA A 18 8.273 -9.108 -0.537 1.00 21.22 C ATOM 283 C ALA A 18 8.840 -8.105 -1.533 1.00 51.24 C ATOM 284 O ALA A 18 9.636 -7.241 -1.173 1.00 71.10 O ATOM 285 CB ALA A 18 7.220 -8.448 0.337 1.00 62.04 C ATOM 0 H ALA A 18 10.067 -9.028 0.541 1.00 12.34 H new ATOM 0 HA ALA A 18 7.815 -9.916 -1.108 1.00 21.22 H new ATOM 0 HB1 ALA A 18 6.439 -8.023 -0.293 1.00 62.04 H new ATOM 0 HB2 ALA A 18 6.784 -9.191 1.005 1.00 62.04 H new ATOM 0 HB3 ALA A 18 7.681 -7.656 0.927 1.00 62.04 H new ATOM 291 N GLU A 19 8.424 -8.238 -2.784 1.00 73.44 N ATOM 292 CA GLU A 19 8.791 -7.301 -3.835 1.00 41.24 C ATOM 293 C GLU A 19 7.520 -6.638 -4.360 1.00 15.53 C ATOM 294 O GLU A 19 6.611 -7.322 -4.832 1.00 20.52 O ATOM 295 CB GLU A 19 9.527 -8.042 -4.964 1.00 10.22 C ATOM 296 CG GLU A 19 10.177 -7.131 -6.001 1.00 42.13 C ATOM 297 CD GLU A 19 10.950 -7.908 -7.058 1.00 13.43 C ATOM 298 OE1 GLU A 19 12.013 -8.480 -6.729 1.00 42.13 O ATOM 299 OE2 GLU A 19 10.510 -7.946 -8.229 1.00 65.21 O ATOM 0 H GLU A 19 7.822 -8.999 -3.099 1.00 73.44 H new ATOM 0 HA GLU A 19 9.461 -6.537 -3.442 1.00 41.24 H new ATOM 0 HB2 GLU A 19 10.296 -8.677 -4.524 1.00 10.22 H new ATOM 0 HB3 GLU A 19 8.821 -8.701 -5.469 1.00 10.22 H new ATOM 0 HG2 GLU A 19 9.407 -6.531 -6.486 1.00 42.13 H new ATOM 0 HG3 GLU A 19 10.852 -6.438 -5.499 1.00 42.13 H new ATOM 306 N PHE A 20 7.439 -5.319 -4.235 1.00 34.32 N ATOM 307 CA PHE A 20 6.266 -4.561 -4.679 1.00 65.21 C ATOM 308 C PHE A 20 6.660 -3.540 -5.739 1.00 23.14 C ATOM 309 O PHE A 20 7.846 -3.286 -5.954 1.00 33.00 O ATOM 310 CB PHE A 20 5.620 -3.816 -3.503 1.00 41.23 C ATOM 311 CG PHE A 20 5.108 -4.699 -2.392 1.00 12.34 C ATOM 312 CD1 PHE A 20 3.929 -5.413 -2.547 1.00 4.44 C ATOM 313 CD2 PHE A 20 5.793 -4.799 -1.189 1.00 63.51 C ATOM 314 CE1 PHE A 20 3.446 -6.211 -1.526 1.00 43.20 C ATOM 315 CE2 PHE A 20 5.315 -5.596 -0.168 1.00 70.22 C ATOM 316 CZ PHE A 20 4.141 -6.302 -0.336 1.00 42.25 C ATOM 0 H PHE A 20 8.176 -4.744 -3.827 1.00 34.32 H new ATOM 0 HA PHE A 20 5.554 -5.273 -5.096 1.00 65.21 H new ATOM 0 HB2 PHE A 20 6.350 -3.122 -3.087 1.00 41.23 H new ATOM 0 HB3 PHE A 20 4.791 -3.218 -3.882 1.00 41.23 H new ATOM 0 HD1 PHE A 20 3.382 -5.345 -3.476 1.00 4.44 H new ATOM 0 HD2 PHE A 20 6.711 -4.247 -1.050 1.00 63.51 H new ATOM 0 HE1 PHE A 20 2.527 -6.762 -1.659 1.00 43.20 H new ATOM 0 HE2 PHE A 20 5.860 -5.667 0.762 1.00 70.22 H new ATOM 0 HZ PHE A 20 3.766 -6.925 0.462 1.00 42.25 H new ATOM 326 N GLU A 21 5.664 -2.952 -6.391 1.00 20.31 N ATOM 327 CA GLU A 21 5.887 -1.808 -7.266 1.00 25.01 C ATOM 328 C GLU A 21 4.801 -0.763 -7.029 1.00 34.33 C ATOM 329 O GLU A 21 3.644 -1.104 -6.751 1.00 0.22 O ATOM 330 CB GLU A 21 5.932 -2.223 -8.747 1.00 31.41 C ATOM 331 CG GLU A 21 4.579 -2.608 -9.343 1.00 65.31 C ATOM 332 CD GLU A 21 4.657 -2.931 -10.832 1.00 74.43 C ATOM 333 OE1 GLU A 21 5.422 -2.255 -11.559 1.00 34.13 O ATOM 334 OE2 GLU A 21 3.947 -3.854 -11.285 1.00 32.43 O ATOM 0 H GLU A 21 4.691 -3.250 -6.330 1.00 20.31 H new ATOM 0 HA GLU A 21 6.859 -1.378 -7.025 1.00 25.01 H new ATOM 0 HB2 GLU A 21 6.349 -1.401 -9.328 1.00 31.41 H new ATOM 0 HB3 GLU A 21 6.614 -3.067 -8.853 1.00 31.41 H new ATOM 0 HG2 GLU A 21 4.185 -3.473 -8.809 1.00 65.31 H new ATOM 0 HG3 GLU A 21 3.874 -1.791 -9.190 1.00 65.31 H new ATOM 341 N LEU A 22 5.189 0.503 -7.107 1.00 61.41 N ATOM 342 CA LEU A 22 4.272 1.614 -6.897 1.00 13.43 C ATOM 343 C LEU A 22 3.448 1.845 -8.163 1.00 34.42 C ATOM 344 O LEU A 22 3.930 2.439 -9.130 1.00 60.21 O ATOM 345 CB LEU A 22 5.077 2.871 -6.525 1.00 23.31 C ATOM 346 CG LEU A 22 4.254 4.116 -6.153 1.00 24.04 C ATOM 347 CD1 LEU A 22 3.348 3.832 -4.956 1.00 15.21 C ATOM 348 CD2 LEU A 22 5.185 5.296 -5.862 1.00 54.24 C ATOM 0 H LEU A 22 6.146 0.788 -7.317 1.00 61.41 H new ATOM 0 HA LEU A 22 3.587 1.385 -6.081 1.00 13.43 H new ATOM 0 HB2 LEU A 22 5.727 2.626 -5.685 1.00 23.31 H new ATOM 0 HB3 LEU A 22 5.723 3.125 -7.365 1.00 23.31 H new ATOM 0 HG LEU A 22 3.618 4.376 -6.999 1.00 24.04 H new ATOM 0 HD11 LEU A 22 2.776 4.727 -4.712 1.00 15.21 H new ATOM 0 HD12 LEU A 22 2.664 3.020 -5.202 1.00 15.21 H new ATOM 0 HD13 LEU A 22 3.957 3.546 -4.099 1.00 15.21 H new ATOM 0 HD21 LEU A 22 4.591 6.172 -5.600 1.00 54.24 H new ATOM 0 HD22 LEU A 22 5.845 5.043 -5.032 1.00 54.24 H new ATOM 0 HD23 LEU A 22 5.783 5.515 -6.747 1.00 54.24 H new ATOM 360 N VAL A 23 2.213 1.348 -8.157 1.00 54.12 N ATOM 361 CA VAL A 23 1.342 1.436 -9.330 1.00 62.13 C ATOM 362 C VAL A 23 0.505 2.714 -9.304 1.00 31.45 C ATOM 363 O VAL A 23 -0.054 3.115 -10.325 1.00 63.31 O ATOM 364 CB VAL A 23 0.402 0.206 -9.444 1.00 22.13 C ATOM 365 CG1 VAL A 23 1.212 -1.080 -9.601 1.00 43.21 C ATOM 366 CG2 VAL A 23 -0.538 0.116 -8.242 1.00 1.32 C ATOM 0 H VAL A 23 1.792 0.880 -7.354 1.00 54.12 H new ATOM 0 HA VAL A 23 1.996 1.455 -10.202 1.00 62.13 H new ATOM 0 HB VAL A 23 -0.212 0.333 -10.336 1.00 22.13 H new ATOM 0 HG11 VAL A 23 0.534 -1.930 -9.679 1.00 43.21 H new ATOM 0 HG12 VAL A 23 1.822 -1.018 -10.502 1.00 43.21 H new ATOM 0 HG13 VAL A 23 1.859 -1.211 -8.734 1.00 43.21 H new ATOM 0 HG21 VAL A 23 -1.184 -0.755 -8.350 1.00 1.32 H new ATOM 0 HG22 VAL A 23 0.048 0.022 -7.328 1.00 1.32 H new ATOM 0 HG23 VAL A 23 -1.149 1.017 -8.190 1.00 1.32 H new ATOM 376 N HIS A 24 0.421 3.346 -8.137 1.00 53.23 N ATOM 377 CA HIS A 24 -0.338 4.586 -7.991 1.00 12.41 C ATOM 378 C HIS A 24 0.125 5.353 -6.760 1.00 4.14 C ATOM 379 O HIS A 24 0.272 4.776 -5.687 1.00 15.01 O ATOM 380 CB HIS A 24 -1.841 4.283 -7.892 1.00 35.02 C ATOM 381 CG HIS A 24 -2.704 5.506 -7.765 1.00 54.33 C ATOM 382 ND1 HIS A 24 -2.717 6.521 -8.694 1.00 31.11 N ATOM 383 CD2 HIS A 24 -3.590 5.867 -6.807 1.00 62.41 C ATOM 384 CE1 HIS A 24 -3.568 7.456 -8.310 1.00 54.13 C ATOM 385 NE2 HIS A 24 -4.116 7.083 -7.168 1.00 15.30 N ATOM 0 H HIS A 24 0.868 3.021 -7.280 1.00 53.23 H new ATOM 0 HA HIS A 24 -0.162 5.204 -8.872 1.00 12.41 H new ATOM 0 HB2 HIS A 24 -2.148 3.725 -8.777 1.00 35.02 H new ATOM 0 HB3 HIS A 24 -2.015 3.637 -7.031 1.00 35.02 H new ATOM 0 HD1 HIS A 24 -2.157 6.547 -9.546 1.00 31.11 H new ATOM 0 HD2 HIS A 24 -3.838 5.302 -5.921 1.00 62.41 H new ATOM 0 HE1 HIS A 24 -3.780 8.372 -8.841 1.00 54.13 H new ATOM 394 N ASN A 25 0.340 6.653 -6.922 1.00 33.30 N ATOM 395 CA ASN A 25 0.806 7.504 -5.828 1.00 20.22 C ATOM 396 C ASN A 25 0.164 8.882 -5.933 1.00 20.23 C ATOM 397 O ASN A 25 0.407 9.611 -6.896 1.00 0.23 O ATOM 398 CB ASN A 25 2.335 7.615 -5.865 1.00 13.31 C ATOM 399 CG ASN A 25 2.915 8.428 -4.716 1.00 44.53 C ATOM 400 OD1 ASN A 25 2.325 8.523 -3.638 1.00 23.35 O ATOM 401 ND2 ASN A 25 4.092 8.998 -4.931 1.00 63.12 N ATOM 0 H ASN A 25 0.199 7.145 -7.804 1.00 33.30 H new ATOM 0 HA ASN A 25 0.515 7.058 -4.877 1.00 20.22 H new ATOM 0 HB2 ASN A 25 2.764 6.613 -5.843 1.00 13.31 H new ATOM 0 HB3 ASN A 25 2.635 8.070 -6.809 1.00 13.31 H new ATOM 0 HD21 ASN A 25 4.540 9.538 -4.191 1.00 63.12 H new ATOM 0 HD22 ASN A 25 4.550 8.897 -5.837 1.00 63.12 H new ATOM 408 N PHE A 26 -0.666 9.225 -4.955 1.00 3.11 N ATOM 409 CA PHE A 26 -1.401 10.485 -4.973 1.00 51.33 C ATOM 410 C PHE A 26 -0.751 11.489 -4.023 1.00 65.31 C ATOM 411 O PHE A 26 -0.465 11.162 -2.866 1.00 24.24 O ATOM 412 CB PHE A 26 -2.866 10.250 -4.567 1.00 14.51 C ATOM 413 CG PHE A 26 -3.773 11.437 -4.812 1.00 51.24 C ATOM 414 CD1 PHE A 26 -3.821 12.496 -3.913 1.00 52.41 C ATOM 415 CD2 PHE A 26 -4.579 11.489 -5.940 1.00 45.14 C ATOM 416 CE1 PHE A 26 -4.651 13.577 -4.138 1.00 71.33 C ATOM 417 CE2 PHE A 26 -5.411 12.570 -6.168 1.00 71.11 C ATOM 418 CZ PHE A 26 -5.448 13.615 -5.266 1.00 33.03 C ATOM 0 H PHE A 26 -0.848 8.645 -4.136 1.00 3.11 H new ATOM 0 HA PHE A 26 -1.375 10.890 -5.985 1.00 51.33 H new ATOM 0 HB2 PHE A 26 -3.251 9.392 -5.118 1.00 14.51 H new ATOM 0 HB3 PHE A 26 -2.902 9.991 -3.509 1.00 14.51 H new ATOM 0 HD1 PHE A 26 -3.202 12.473 -3.028 1.00 52.41 H new ATOM 0 HD2 PHE A 26 -4.556 10.675 -6.649 1.00 45.14 H new ATOM 0 HE1 PHE A 26 -4.677 14.393 -3.431 1.00 71.33 H new ATOM 0 HE2 PHE A 26 -6.032 12.597 -7.051 1.00 71.11 H new ATOM 0 HZ PHE A 26 -6.098 14.459 -5.442 1.00 33.03 H new ATOM 428 N LYS A 27 -0.507 12.701 -4.529 1.00 13.33 N ATOM 429 CA LYS A 27 0.067 13.796 -3.743 1.00 62.14 C ATOM 430 C LYS A 27 1.497 13.463 -3.317 1.00 74.02 C ATOM 431 O LYS A 27 2.077 14.142 -2.464 1.00 64.02 O ATOM 432 CB LYS A 27 -0.803 14.078 -2.502 1.00 0.54 C ATOM 433 CG LYS A 27 -0.780 15.533 -2.019 1.00 25.52 C ATOM 434 CD LYS A 27 -1.940 16.357 -2.593 1.00 75.31 C ATOM 435 CE LYS A 27 -1.912 16.434 -4.118 1.00 30.44 C ATOM 436 NZ LYS A 27 -0.745 17.209 -4.618 1.00 70.50 N ATOM 0 H LYS A 27 -0.703 12.951 -5.498 1.00 13.33 H new ATOM 0 HA LYS A 27 0.091 14.689 -4.368 1.00 62.14 H new ATOM 0 HB2 LYS A 27 -1.833 13.801 -2.727 1.00 0.54 H new ATOM 0 HB3 LYS A 27 -0.470 13.434 -1.688 1.00 0.54 H new ATOM 0 HG2 LYS A 27 -0.828 15.553 -0.930 1.00 25.52 H new ATOM 0 HG3 LYS A 27 0.166 15.993 -2.305 1.00 25.52 H new ATOM 0 HD2 LYS A 27 -2.885 15.918 -2.273 1.00 75.31 H new ATOM 0 HD3 LYS A 27 -1.902 17.366 -2.182 1.00 75.31 H new ATOM 0 HE2 LYS A 27 -1.881 15.426 -4.531 1.00 30.44 H new ATOM 0 HE3 LYS A 27 -2.833 16.896 -4.474 1.00 30.44 H new ATOM 0 HZ1 LYS A 27 -1.080 18.062 -5.111 1.00 70.50 H new ATOM 0 HZ2 LYS A 27 -0.143 17.486 -3.816 1.00 70.50 H new ATOM 0 HZ3 LYS A 27 -0.195 16.622 -5.277 1.00 70.50 H new ATOM 450 N ASP A 28 2.058 12.425 -3.939 1.00 5.12 N ATOM 451 CA ASP A 28 3.353 11.878 -3.543 1.00 35.22 C ATOM 452 C ASP A 28 3.342 11.508 -2.064 1.00 42.13 C ATOM 453 O ASP A 28 4.367 11.572 -1.382 1.00 20.23 O ATOM 454 CB ASP A 28 4.496 12.857 -3.864 1.00 10.22 C ATOM 455 CG ASP A 28 4.875 12.841 -5.336 1.00 73.52 C ATOM 456 OD1 ASP A 28 5.688 11.975 -5.735 1.00 12.53 O ATOM 457 OD2 ASP A 28 4.364 13.687 -6.106 1.00 75.01 O ATOM 0 H ASP A 28 1.628 11.943 -4.728 1.00 5.12 H new ATOM 0 HA ASP A 28 3.531 10.972 -4.122 1.00 35.22 H new ATOM 0 HB2 ASP A 28 4.198 13.866 -3.579 1.00 10.22 H new ATOM 0 HB3 ASP A 28 5.369 12.601 -3.264 1.00 10.22 H new ATOM 462 N GLY A 29 2.172 11.078 -1.589 1.00 12.12 N ATOM 463 CA GLY A 29 2.005 10.694 -0.199 1.00 4.11 C ATOM 464 C GLY A 29 2.751 9.420 0.152 1.00 21.21 C ATOM 465 O GLY A 29 2.753 8.995 1.309 1.00 25.41 O ATOM 0 H GLY A 29 1.327 10.989 -2.154 1.00 12.12 H new ATOM 0 HA2 GLY A 29 2.356 11.503 0.442 1.00 4.11 H new ATOM 0 HA3 GLY A 29 0.944 10.558 0.011 1.00 4.11 H new ATOM 469 N PHE A 30 3.365 8.791 -0.850 1.00 21.45 N ATOM 470 CA PHE A 30 4.188 7.612 -0.621 1.00 41.45 C ATOM 471 C PHE A 30 5.375 7.947 0.277 1.00 71.33 C ATOM 472 O PHE A 30 6.350 8.561 -0.166 1.00 31.50 O ATOM 473 CB PHE A 30 4.684 7.011 -1.945 1.00 63.31 C ATOM 474 CG PHE A 30 5.630 5.853 -1.745 1.00 11.13 C ATOM 475 CD1 PHE A 30 5.169 4.650 -1.231 1.00 55.55 C ATOM 476 CD2 PHE A 30 6.980 5.976 -2.043 1.00 33.15 C ATOM 477 CE1 PHE A 30 6.034 3.594 -1.023 1.00 75.33 C ATOM 478 CE2 PHE A 30 7.849 4.925 -1.834 1.00 22.33 C ATOM 479 CZ PHE A 30 7.375 3.732 -1.323 1.00 60.04 C ATOM 0 H PHE A 30 3.306 9.081 -1.826 1.00 21.45 H new ATOM 0 HA PHE A 30 3.565 6.870 -0.121 1.00 41.45 H new ATOM 0 HB2 PHE A 30 3.827 6.677 -2.530 1.00 63.31 H new ATOM 0 HB3 PHE A 30 5.184 7.786 -2.526 1.00 63.31 H new ATOM 0 HD1 PHE A 30 4.122 4.538 -0.991 1.00 55.55 H new ATOM 0 HD2 PHE A 30 7.355 6.906 -2.444 1.00 33.15 H new ATOM 0 HE1 PHE A 30 5.662 2.661 -0.626 1.00 75.33 H new ATOM 0 HE2 PHE A 30 8.897 5.035 -2.069 1.00 22.33 H new ATOM 0 HZ PHE A 30 8.053 2.908 -1.158 1.00 60.04 H new ATOM 489 N ASN A 31 5.273 7.556 1.539 1.00 3.21 N ATOM 490 CA ASN A 31 6.356 7.723 2.500 1.00 60.32 C ATOM 491 C ASN A 31 6.928 6.347 2.843 1.00 61.42 C ATOM 492 O ASN A 31 6.331 5.588 3.611 1.00 31.21 O ATOM 493 CB ASN A 31 5.841 8.442 3.756 1.00 23.12 C ATOM 494 CG ASN A 31 6.947 8.772 4.744 1.00 1.04 C ATOM 495 OD1 ASN A 31 7.231 7.998 5.655 1.00 33.31 O ATOM 496 ND2 ASN A 31 7.578 9.928 4.572 1.00 2.32 N ATOM 0 H ASN A 31 4.439 7.115 1.926 1.00 3.21 H new ATOM 0 HA ASN A 31 7.147 8.337 2.070 1.00 60.32 H new ATOM 0 HB2 ASN A 31 5.338 9.363 3.461 1.00 23.12 H new ATOM 0 HB3 ASN A 31 5.097 7.816 4.248 1.00 23.12 H new ATOM 0 HD21 ASN A 31 8.327 10.200 5.209 1.00 2.32 H new ATOM 0 HD22 ASN A 31 7.313 10.544 3.803 1.00 2.32 H new ATOM 503 N GLU A 32 8.072 6.025 2.238 1.00 32.31 N ATOM 504 CA GLU A 32 8.660 4.688 2.326 1.00 51.12 C ATOM 505 C GLU A 32 8.887 4.262 3.775 1.00 3.54 C ATOM 506 O GLU A 32 8.456 3.180 4.185 1.00 75.04 O ATOM 507 CB GLU A 32 9.992 4.637 1.564 1.00 54.22 C ATOM 508 CG GLU A 32 10.690 3.282 1.638 1.00 32.11 C ATOM 509 CD GLU A 32 12.129 3.339 1.157 1.00 34.21 C ATOM 510 OE1 GLU A 32 13.002 3.758 1.946 1.00 10.14 O ATOM 511 OE2 GLU A 32 12.396 2.966 -0.007 1.00 65.02 O ATOM 0 H GLU A 32 8.615 6.680 1.676 1.00 32.31 H new ATOM 0 HA GLU A 32 7.952 3.994 1.874 1.00 51.12 H new ATOM 0 HB2 GLU A 32 9.812 4.886 0.518 1.00 54.22 H new ATOM 0 HB3 GLU A 32 10.658 5.401 1.964 1.00 54.22 H new ATOM 0 HG2 GLU A 32 10.669 2.922 2.667 1.00 32.11 H new ATOM 0 HG3 GLU A 32 10.138 2.560 1.036 1.00 32.11 H new ATOM 518 N GLU A 33 9.557 5.118 4.548 1.00 75.25 N ATOM 519 CA GLU A 33 9.897 4.804 5.935 1.00 74.31 C ATOM 520 C GLU A 33 8.648 4.445 6.747 1.00 22.44 C ATOM 521 O GLU A 33 8.674 3.519 7.557 1.00 63.51 O ATOM 522 CB GLU A 33 10.653 5.974 6.587 1.00 70.41 C ATOM 523 CG GLU A 33 9.960 7.317 6.430 1.00 71.14 C ATOM 524 CD GLU A 33 10.604 8.420 7.251 1.00 23.34 C ATOM 525 OE1 GLU A 33 10.247 8.565 8.439 1.00 74.03 O ATOM 526 OE2 GLU A 33 11.453 9.158 6.714 1.00 43.14 O ATOM 0 H GLU A 33 9.875 6.035 4.236 1.00 75.25 H new ATOM 0 HA GLU A 33 10.551 3.932 5.929 1.00 74.31 H new ATOM 0 HB2 GLU A 33 10.782 5.764 7.649 1.00 70.41 H new ATOM 0 HB3 GLU A 33 11.650 6.037 6.152 1.00 70.41 H new ATOM 0 HG2 GLU A 33 9.969 7.603 5.378 1.00 71.14 H new ATOM 0 HG3 GLU A 33 8.915 7.216 6.724 1.00 71.14 H new ATOM 533 N ALA A 34 7.551 5.163 6.509 1.00 34.31 N ATOM 534 CA ALA A 34 6.297 4.900 7.210 1.00 53.44 C ATOM 535 C ALA A 34 5.729 3.542 6.802 1.00 21.24 C ATOM 536 O ALA A 34 5.304 2.752 7.649 1.00 20.45 O ATOM 537 CB ALA A 34 5.289 6.007 6.931 1.00 73.32 C ATOM 0 H ALA A 34 7.506 5.929 5.837 1.00 34.31 H new ATOM 0 HA ALA A 34 6.499 4.879 8.281 1.00 53.44 H new ATOM 0 HB1 ALA A 34 4.360 5.795 7.461 1.00 73.32 H new ATOM 0 HB2 ALA A 34 5.692 6.961 7.272 1.00 73.32 H new ATOM 0 HB3 ALA A 34 5.092 6.058 5.860 1.00 73.32 H new ATOM 543 N PHE A 35 5.747 3.277 5.496 1.00 42.44 N ATOM 544 CA PHE A 35 5.240 2.022 4.947 1.00 40.33 C ATOM 545 C PHE A 35 5.960 0.826 5.566 1.00 25.11 C ATOM 546 O PHE A 35 5.334 -0.051 6.169 1.00 24.10 O ATOM 547 CB PHE A 35 5.410 2.009 3.416 1.00 23.21 C ATOM 548 CG PHE A 35 5.173 0.659 2.777 1.00 2.32 C ATOM 549 CD1 PHE A 35 3.883 0.190 2.564 1.00 25.13 C ATOM 550 CD2 PHE A 35 6.242 -0.141 2.387 1.00 13.41 C ATOM 551 CE1 PHE A 35 3.667 -1.042 1.977 1.00 63.42 C ATOM 552 CE2 PHE A 35 6.027 -1.373 1.801 1.00 71.31 C ATOM 553 CZ PHE A 35 4.739 -1.825 1.596 1.00 63.01 C ATOM 0 H PHE A 35 6.111 3.922 4.794 1.00 42.44 H new ATOM 0 HA PHE A 35 4.180 1.945 5.190 1.00 40.33 H new ATOM 0 HB2 PHE A 35 4.720 2.731 2.979 1.00 23.21 H new ATOM 0 HB3 PHE A 35 6.418 2.342 3.171 1.00 23.21 H new ATOM 0 HD1 PHE A 35 3.039 0.795 2.861 1.00 25.13 H new ATOM 0 HD2 PHE A 35 7.253 0.206 2.544 1.00 13.41 H new ATOM 0 HE1 PHE A 35 2.658 -1.393 1.816 1.00 63.42 H new ATOM 0 HE2 PHE A 35 6.867 -1.983 1.503 1.00 71.31 H new ATOM 0 HZ PHE A 35 4.570 -2.789 1.139 1.00 63.01 H new ATOM 563 N LYS A 36 7.283 0.813 5.437 1.00 60.31 N ATOM 564 CA LYS A 36 8.091 -0.326 5.863 1.00 73.44 C ATOM 565 C LYS A 36 8.091 -0.482 7.386 1.00 15.25 C ATOM 566 O LYS A 36 8.403 -1.556 7.906 1.00 53.31 O ATOM 567 CB LYS A 36 9.522 -0.182 5.325 1.00 3.43 C ATOM 568 CG LYS A 36 10.268 1.040 5.852 1.00 51.42 C ATOM 569 CD LYS A 36 11.528 1.328 5.037 1.00 3.03 C ATOM 570 CE LYS A 36 12.487 0.141 5.008 1.00 73.24 C ATOM 571 NZ LYS A 36 13.036 -0.173 6.353 1.00 2.22 N ATOM 0 H LYS A 36 7.821 1.582 5.039 1.00 60.31 H new ATOM 0 HA LYS A 36 7.647 -1.231 5.449 1.00 73.44 H new ATOM 0 HB2 LYS A 36 10.087 -1.078 5.583 1.00 3.43 H new ATOM 0 HB3 LYS A 36 9.486 -0.130 4.237 1.00 3.43 H new ATOM 0 HG2 LYS A 36 9.610 1.908 5.824 1.00 51.42 H new ATOM 0 HG3 LYS A 36 10.538 0.879 6.896 1.00 51.42 H new ATOM 0 HD2 LYS A 36 11.246 1.588 4.017 1.00 3.03 H new ATOM 0 HD3 LYS A 36 12.039 2.194 5.457 1.00 3.03 H new ATOM 0 HE2 LYS A 36 11.967 -0.734 4.617 1.00 73.24 H new ATOM 0 HE3 LYS A 36 13.308 0.356 4.324 1.00 73.24 H new ATOM 0 HZ1 LYS A 36 13.707 -0.964 6.278 1.00 2.22 H new ATOM 0 HZ2 LYS A 36 13.526 0.663 6.732 1.00 2.22 H new ATOM 0 HZ3 LYS A 36 12.259 -0.438 6.992 1.00 2.22 H new ATOM 585 N ALA A 37 7.739 0.589 8.094 1.00 71.11 N ATOM 586 CA ALA A 37 7.672 0.563 9.554 1.00 32.22 C ATOM 587 C ALA A 37 6.343 -0.024 10.036 1.00 63.05 C ATOM 588 O ALA A 37 6.245 -0.530 11.158 1.00 24.41 O ATOM 589 CB ALA A 37 7.869 1.968 10.120 1.00 13.05 C ATOM 0 H ALA A 37 7.495 1.488 7.679 1.00 71.11 H new ATOM 0 HA ALA A 37 8.475 -0.079 9.917 1.00 32.22 H new ATOM 0 HB1 ALA A 37 7.817 1.933 11.208 1.00 13.05 H new ATOM 0 HB2 ALA A 37 8.844 2.349 9.816 1.00 13.05 H new ATOM 0 HB3 ALA A 37 7.087 2.626 9.740 1.00 13.05 H new ATOM 595 N ARG A 38 5.319 0.053 9.185 1.00 30.31 N ATOM 596 CA ARG A 38 3.977 -0.423 9.541 1.00 34.14 C ATOM 597 C ARG A 38 3.612 -1.696 8.778 1.00 75.44 C ATOM 598 O ARG A 38 2.550 -2.279 9.007 1.00 42.13 O ATOM 599 CB ARG A 38 2.931 0.665 9.252 1.00 14.24 C ATOM 600 CG ARG A 38 3.102 1.953 10.066 1.00 13.22 C ATOM 601 CD ARG A 38 2.862 1.738 11.560 1.00 42.13 C ATOM 602 NE ARG A 38 3.953 1.007 12.210 1.00 31.42 N ATOM 603 CZ ARG A 38 3.863 0.429 13.408 1.00 22.24 C ATOM 604 NH1 ARG A 38 2.721 0.449 14.083 1.00 23.02 N ATOM 605 NH2 ARG A 38 4.920 -0.180 13.925 1.00 55.13 N ATOM 0 H ARG A 38 5.391 0.440 8.244 1.00 30.31 H new ATOM 0 HA ARG A 38 3.983 -0.652 10.607 1.00 34.14 H new ATOM 0 HB2 ARG A 38 2.970 0.914 8.192 1.00 14.24 H new ATOM 0 HB3 ARG A 38 1.939 0.257 9.448 1.00 14.24 H new ATOM 0 HG2 ARG A 38 4.109 2.343 9.916 1.00 13.22 H new ATOM 0 HG3 ARG A 38 2.409 2.708 9.695 1.00 13.22 H new ATOM 0 HD2 ARG A 38 2.738 2.705 12.047 1.00 42.13 H new ATOM 0 HD3 ARG A 38 1.930 1.190 11.699 1.00 42.13 H new ATOM 0 HE ARG A 38 4.841 0.936 11.713 1.00 31.42 H new ATOM 0 HH11 ARG A 38 1.902 0.909 13.686 1.00 23.02 H new ATOM 0 HH12 ARG A 38 2.662 0.004 14.999 1.00 23.02 H new ATOM 0 HH21 ARG A 38 5.798 -0.205 13.407 1.00 55.13 H new ATOM 0 HH22 ARG A 38 4.856 -0.623 14.841 1.00 55.13 H new ATOM 619 N TYR A 39 4.490 -2.123 7.873 1.00 31.20 N ATOM 620 CA TYR A 39 4.226 -3.282 7.024 1.00 63.24 C ATOM 621 C TYR A 39 4.016 -4.552 7.845 1.00 44.24 C ATOM 622 O TYR A 39 4.928 -5.019 8.533 1.00 71.13 O ATOM 623 CB TYR A 39 5.368 -3.491 6.022 1.00 70.14 C ATOM 624 CG TYR A 39 5.208 -4.734 5.153 1.00 21.35 C ATOM 625 CD1 TYR A 39 4.262 -4.779 4.132 1.00 13.23 C ATOM 626 CD2 TYR A 39 6.002 -5.861 5.356 1.00 4.22 C ATOM 627 CE1 TYR A 39 4.111 -5.909 3.344 1.00 2.43 C ATOM 628 CE2 TYR A 39 5.856 -6.991 4.573 1.00 21.34 C ATOM 629 CZ TYR A 39 4.912 -7.010 3.567 1.00 33.30 C ATOM 630 OH TYR A 39 4.766 -8.136 2.787 1.00 74.35 O ATOM 0 H TYR A 39 5.394 -1.681 7.709 1.00 31.20 H new ATOM 0 HA TYR A 39 3.304 -3.078 6.479 1.00 63.24 H new ATOM 0 HB2 TYR A 39 5.437 -2.615 5.377 1.00 70.14 H new ATOM 0 HB3 TYR A 39 6.309 -3.560 6.568 1.00 70.14 H new ATOM 0 HD1 TYR A 39 3.635 -3.918 3.951 1.00 13.23 H new ATOM 0 HD2 TYR A 39 6.745 -5.852 6.140 1.00 4.22 H new ATOM 0 HE1 TYR A 39 3.370 -5.928 2.559 1.00 2.43 H new ATOM 0 HE2 TYR A 39 6.479 -7.856 4.748 1.00 21.34 H new ATOM 0 HH TYR A 39 5.407 -8.819 3.075 1.00 74.35 H new ATOM 640 N SER A 40 2.807 -5.100 7.769 1.00 45.35 N ATOM 641 CA SER A 40 2.498 -6.384 8.379 1.00 24.53 C ATOM 642 C SER A 40 2.640 -7.493 7.333 1.00 74.44 C ATOM 643 O SER A 40 1.990 -7.451 6.287 1.00 42.20 O ATOM 644 CB SER A 40 1.078 -6.365 8.961 1.00 64.14 C ATOM 645 OG SER A 40 0.935 -5.322 9.912 1.00 34.24 O ATOM 0 H SER A 40 2.020 -4.668 7.285 1.00 45.35 H new ATOM 0 HA SER A 40 3.196 -6.576 9.194 1.00 24.53 H new ATOM 0 HB2 SER A 40 0.353 -6.232 8.158 1.00 64.14 H new ATOM 0 HB3 SER A 40 0.860 -7.324 9.431 1.00 64.14 H new ATOM 0 HG SER A 40 0.022 -5.327 10.269 1.00 34.24 H new ATOM 651 N ASP A 41 3.501 -8.467 7.617 1.00 63.25 N ATOM 652 CA ASP A 41 3.797 -9.564 6.685 1.00 30.12 C ATOM 653 C ASP A 41 2.527 -10.238 6.157 1.00 42.15 C ATOM 654 O ASP A 41 2.433 -10.548 4.969 1.00 42.11 O ATOM 655 CB ASP A 41 4.698 -10.596 7.376 1.00 32.40 C ATOM 656 CG ASP A 41 4.885 -11.871 6.564 1.00 34.34 C ATOM 657 OD1 ASP A 41 5.663 -11.852 5.589 1.00 25.34 O ATOM 658 OD2 ASP A 41 4.282 -12.903 6.926 1.00 1.42 O ATOM 0 H ASP A 41 4.015 -8.523 8.496 1.00 63.25 H new ATOM 0 HA ASP A 41 4.313 -9.138 5.824 1.00 30.12 H new ATOM 0 HB2 ASP A 41 5.673 -10.148 7.566 1.00 32.40 H new ATOM 0 HB3 ASP A 41 4.270 -10.850 8.346 1.00 32.40 H new ATOM 663 N ILE A 42 1.546 -10.435 7.035 1.00 54.34 N ATOM 664 CA ILE A 42 0.289 -11.094 6.667 1.00 75.14 C ATOM 665 C ILE A 42 -0.394 -10.401 5.476 1.00 50.40 C ATOM 666 O ILE A 42 -1.105 -11.038 4.692 1.00 73.13 O ATOM 667 CB ILE A 42 -0.689 -11.140 7.873 1.00 32.14 C ATOM 668 CG1 ILE A 42 -1.986 -11.891 7.508 1.00 31.12 C ATOM 669 CG2 ILE A 42 -1.007 -9.729 8.372 1.00 75.50 C ATOM 670 CD1 ILE A 42 -1.774 -13.346 7.131 1.00 35.11 C ATOM 0 H ILE A 42 1.596 -10.147 8.012 1.00 54.34 H new ATOM 0 HA ILE A 42 0.542 -12.112 6.371 1.00 75.14 H new ATOM 0 HB ILE A 42 -0.197 -11.685 8.679 1.00 32.14 H new ATOM 0 HG12 ILE A 42 -2.672 -11.842 8.354 1.00 31.12 H new ATOM 0 HG13 ILE A 42 -2.469 -11.378 6.676 1.00 31.12 H new ATOM 0 HG21 ILE A 42 -1.694 -9.788 9.217 1.00 75.50 H new ATOM 0 HG22 ILE A 42 -0.086 -9.238 8.687 1.00 75.50 H new ATOM 0 HG23 ILE A 42 -1.468 -9.154 7.569 1.00 75.50 H new ATOM 0 HD11 ILE A 42 -2.734 -13.803 6.888 1.00 35.11 H new ATOM 0 HD12 ILE A 42 -1.115 -13.405 6.265 1.00 35.11 H new ATOM 0 HD13 ILE A 42 -1.321 -13.877 7.969 1.00 35.11 H new ATOM 682 N LEU A 43 -0.153 -9.102 5.331 1.00 64.02 N ATOM 683 CA LEU A 43 -0.794 -8.308 4.284 1.00 35.25 C ATOM 684 C LEU A 43 -0.312 -8.718 2.889 1.00 14.34 C ATOM 685 O LEU A 43 -0.995 -8.472 1.894 1.00 52.25 O ATOM 686 CB LEU A 43 -0.529 -6.811 4.508 1.00 72.14 C ATOM 687 CG LEU A 43 -1.085 -6.225 5.816 1.00 10.35 C ATOM 688 CD1 LEU A 43 -0.739 -4.743 5.929 1.00 24.24 C ATOM 689 CD2 LEU A 43 -2.594 -6.432 5.904 1.00 43.43 C ATOM 0 H LEU A 43 0.484 -8.573 5.927 1.00 64.02 H new ATOM 0 HA LEU A 43 -1.866 -8.497 4.341 1.00 35.25 H new ATOM 0 HB2 LEU A 43 0.548 -6.644 4.485 1.00 72.14 H new ATOM 0 HB3 LEU A 43 -0.955 -6.256 3.672 1.00 72.14 H new ATOM 0 HG LEU A 43 -0.620 -6.752 6.650 1.00 10.35 H new ATOM 0 HD11 LEU A 43 -1.141 -4.346 6.861 1.00 24.24 H new ATOM 0 HD12 LEU A 43 0.344 -4.620 5.919 1.00 24.24 H new ATOM 0 HD13 LEU A 43 -1.173 -4.203 5.087 1.00 24.24 H new ATOM 0 HD21 LEU A 43 -2.965 -6.009 6.838 1.00 43.43 H new ATOM 0 HD22 LEU A 43 -3.079 -5.936 5.063 1.00 43.43 H new ATOM 0 HD23 LEU A 43 -2.817 -7.498 5.874 1.00 43.43 H new ATOM 701 N ASN A 44 0.854 -9.355 2.826 1.00 32.41 N ATOM 702 CA ASN A 44 1.465 -9.725 1.544 1.00 31.54 C ATOM 703 C ASN A 44 0.539 -10.635 0.734 1.00 75.35 C ATOM 704 O ASN A 44 0.558 -10.625 -0.500 1.00 63.23 O ATOM 705 CB ASN A 44 2.816 -10.416 1.781 1.00 24.21 C ATOM 706 CG ASN A 44 3.648 -10.515 0.513 1.00 24.32 C ATOM 707 OD1 ASN A 44 3.556 -11.477 -0.251 1.00 55.25 O ATOM 708 ND2 ASN A 44 4.476 -9.511 0.283 1.00 62.11 N ATOM 0 H ASN A 44 1.398 -9.627 3.645 1.00 32.41 H new ATOM 0 HA ASN A 44 1.628 -8.813 0.970 1.00 31.54 H new ATOM 0 HB2 ASN A 44 3.375 -9.864 2.537 1.00 24.21 H new ATOM 0 HB3 ASN A 44 2.644 -11.416 2.178 1.00 24.21 H new ATOM 0 HD21 ASN A 44 5.065 -9.517 -0.549 1.00 62.11 H new ATOM 0 HD22 ASN A 44 4.526 -8.731 0.938 1.00 62.11 H new ATOM 715 N LYS A 45 -0.291 -11.399 1.444 1.00 4.05 N ATOM 716 CA LYS A 45 -1.218 -12.349 0.825 1.00 53.11 C ATOM 717 C LYS A 45 -2.209 -11.638 -0.103 1.00 15.24 C ATOM 718 O LYS A 45 -2.647 -12.196 -1.112 1.00 64.54 O ATOM 719 CB LYS A 45 -2.001 -13.096 1.915 1.00 21.03 C ATOM 720 CG LYS A 45 -2.942 -14.178 1.375 1.00 51.43 C ATOM 721 CD LYS A 45 -4.203 -14.320 2.225 1.00 44.20 C ATOM 722 CE LYS A 45 -3.891 -14.601 3.690 1.00 31.13 C ATOM 723 NZ LYS A 45 -5.125 -14.637 4.515 1.00 12.13 N ATOM 0 H LYS A 45 -0.341 -11.378 2.463 1.00 4.05 H new ATOM 0 HA LYS A 45 -0.631 -13.052 0.234 1.00 53.11 H new ATOM 0 HB2 LYS A 45 -1.294 -13.555 2.606 1.00 21.03 H new ATOM 0 HB3 LYS A 45 -2.584 -12.375 2.488 1.00 21.03 H new ATOM 0 HG2 LYS A 45 -3.222 -13.936 0.350 1.00 51.43 H new ATOM 0 HG3 LYS A 45 -2.417 -15.132 1.345 1.00 51.43 H new ATOM 0 HD2 LYS A 45 -4.792 -13.406 2.151 1.00 44.20 H new ATOM 0 HD3 LYS A 45 -4.817 -15.128 1.826 1.00 44.20 H new ATOM 0 HE2 LYS A 45 -3.368 -15.554 3.775 1.00 31.13 H new ATOM 0 HE3 LYS A 45 -3.219 -13.833 4.073 1.00 31.13 H new ATOM 0 HZ1 LYS A 45 -4.875 -14.830 5.506 1.00 12.13 H new ATOM 0 HZ2 LYS A 45 -5.611 -13.719 4.453 1.00 12.13 H new ATOM 0 HZ3 LYS A 45 -5.755 -15.386 4.165 1.00 12.13 H new ATOM 737 N TYR A 46 -2.552 -10.402 0.250 1.00 10.42 N ATOM 738 CA TYR A 46 -3.591 -9.648 -0.450 1.00 20.00 C ATOM 739 C TYR A 46 -3.152 -9.263 -1.864 1.00 11.51 C ATOM 740 O TYR A 46 -3.989 -9.036 -2.737 1.00 71.51 O ATOM 741 CB TYR A 46 -3.956 -8.396 0.359 1.00 41.53 C ATOM 742 CG TYR A 46 -4.617 -8.703 1.692 1.00 1.15 C ATOM 743 CD1 TYR A 46 -3.881 -9.218 2.753 1.00 42.12 C ATOM 744 CD2 TYR A 46 -5.976 -8.486 1.886 1.00 62.55 C ATOM 745 CE1 TYR A 46 -4.475 -9.504 3.965 1.00 35.35 C ATOM 746 CE2 TYR A 46 -6.578 -8.772 3.097 1.00 74.41 C ATOM 747 CZ TYR A 46 -5.823 -9.281 4.134 1.00 74.04 C ATOM 748 OH TYR A 46 -6.419 -9.573 5.342 1.00 64.11 O ATOM 0 H TYR A 46 -2.121 -9.896 1.024 1.00 10.42 H new ATOM 0 HA TYR A 46 -4.470 -10.286 -0.544 1.00 20.00 H new ATOM 0 HB2 TYR A 46 -3.053 -7.813 0.537 1.00 41.53 H new ATOM 0 HB3 TYR A 46 -4.626 -7.773 -0.234 1.00 41.53 H new ATOM 0 HD1 TYR A 46 -2.824 -9.398 2.626 1.00 42.12 H new ATOM 0 HD2 TYR A 46 -6.571 -8.088 1.078 1.00 62.55 H new ATOM 0 HE1 TYR A 46 -3.885 -9.901 4.778 1.00 35.35 H new ATOM 0 HE2 TYR A 46 -7.635 -8.598 3.231 1.00 74.41 H new ATOM 0 HH TYR A 46 -7.374 -9.357 5.296 1.00 64.11 H new ATOM 758 N ASP A 47 -1.831 -9.194 -2.067 1.00 24.54 N ATOM 759 CA ASP A 47 -1.230 -8.859 -3.371 1.00 10.01 C ATOM 760 C ASP A 47 -1.415 -7.370 -3.696 1.00 13.11 C ATOM 761 O ASP A 47 -0.927 -6.878 -4.715 1.00 2.44 O ATOM 762 CB ASP A 47 -1.844 -9.736 -4.486 1.00 23.31 C ATOM 763 CG ASP A 47 -1.063 -9.726 -5.800 1.00 23.41 C ATOM 764 OD1 ASP A 47 -1.275 -8.820 -6.631 1.00 43.03 O ATOM 765 OD2 ASP A 47 -0.260 -10.658 -6.025 1.00 21.24 O ATOM 0 H ASP A 47 -1.145 -9.368 -1.333 1.00 24.54 H new ATOM 0 HA ASP A 47 -0.160 -9.062 -3.315 1.00 10.01 H new ATOM 0 HB2 ASP A 47 -1.914 -10.763 -4.127 1.00 23.31 H new ATOM 0 HB3 ASP A 47 -2.861 -9.396 -4.680 1.00 23.31 H new ATOM 770 N TYR A 48 -2.076 -6.646 -2.792 1.00 0.24 N ATOM 771 CA TYR A 48 -2.339 -5.216 -2.969 1.00 5.53 C ATOM 772 C TYR A 48 -2.303 -4.505 -1.617 1.00 41.42 C ATOM 773 O TYR A 48 -3.134 -4.773 -0.742 1.00 31.52 O ATOM 774 CB TYR A 48 -3.706 -4.988 -3.643 1.00 2.31 C ATOM 775 CG TYR A 48 -3.773 -5.481 -5.077 1.00 41.30 C ATOM 776 CD1 TYR A 48 -3.270 -4.707 -6.118 1.00 54.10 C ATOM 777 CD2 TYR A 48 -4.327 -6.720 -5.392 1.00 73.51 C ATOM 778 CE1 TYR A 48 -3.311 -5.152 -7.423 1.00 4.42 C ATOM 779 CE2 TYR A 48 -4.374 -7.169 -6.697 1.00 71.44 C ATOM 780 CZ TYR A 48 -3.864 -6.380 -7.709 1.00 72.34 C ATOM 781 OH TYR A 48 -3.898 -6.828 -9.014 1.00 12.25 O ATOM 0 H TYR A 48 -2.443 -7.031 -1.921 1.00 0.24 H new ATOM 0 HA TYR A 48 -1.563 -4.804 -3.614 1.00 5.53 H new ATOM 0 HB2 TYR A 48 -4.477 -5.492 -3.059 1.00 2.31 H new ATOM 0 HB3 TYR A 48 -3.937 -3.923 -3.624 1.00 2.31 H new ATOM 0 HD1 TYR A 48 -2.840 -3.741 -5.900 1.00 54.10 H new ATOM 0 HD2 TYR A 48 -4.726 -7.339 -4.603 1.00 73.51 H new ATOM 0 HE1 TYR A 48 -2.911 -4.539 -8.217 1.00 4.42 H new ATOM 0 HE2 TYR A 48 -4.807 -8.132 -6.925 1.00 71.44 H new ATOM 0 HH TYR A 48 -4.319 -7.712 -9.045 1.00 12.25 H new ATOM 791 N ILE A 49 -1.335 -3.606 -1.450 1.00 51.00 N ATOM 792 CA ILE A 49 -1.163 -2.864 -0.203 1.00 34.51 C ATOM 793 C ILE A 49 -1.350 -1.373 -0.456 1.00 52.13 C ATOM 794 O ILE A 49 -0.592 -0.768 -1.218 1.00 62.23 O ATOM 795 CB ILE A 49 0.245 -3.097 0.407 1.00 4.44 C ATOM 796 CG1 ILE A 49 0.563 -4.600 0.493 1.00 32.20 C ATOM 797 CG2 ILE A 49 0.346 -2.448 1.788 1.00 13.03 C ATOM 798 CD1 ILE A 49 -0.412 -5.389 1.337 1.00 64.41 C ATOM 0 H ILE A 49 -0.652 -3.372 -2.170 1.00 51.00 H new ATOM 0 HA ILE A 49 -1.913 -3.224 0.501 1.00 34.51 H new ATOM 0 HB ILE A 49 0.980 -2.631 -0.249 1.00 4.44 H new ATOM 0 HG12 ILE A 49 0.575 -5.016 -0.514 1.00 32.20 H new ATOM 0 HG13 ILE A 49 1.566 -4.726 0.902 1.00 32.20 H new ATOM 0 HG21 ILE A 49 1.340 -2.622 2.200 1.00 13.03 H new ATOM 0 HG22 ILE A 49 0.172 -1.376 1.700 1.00 13.03 H new ATOM 0 HG23 ILE A 49 -0.402 -2.883 2.450 1.00 13.03 H new ATOM 0 HD11 ILE A 49 -0.118 -6.439 1.347 1.00 64.41 H new ATOM 0 HD12 ILE A 49 -0.408 -5.001 2.356 1.00 64.41 H new ATOM 0 HD13 ILE A 49 -1.414 -5.297 0.918 1.00 64.41 H new ATOM 810 N VAL A 50 -2.365 -0.787 0.170 1.00 1.32 N ATOM 811 CA VAL A 50 -2.653 0.635 0.004 1.00 71.33 C ATOM 812 C VAL A 50 -2.495 1.371 1.330 1.00 44.41 C ATOM 813 O VAL A 50 -3.149 1.031 2.311 1.00 24.44 O ATOM 814 CB VAL A 50 -4.090 0.858 -0.520 1.00 4.41 C ATOM 815 CG1 VAL A 50 -4.345 2.344 -0.784 1.00 74.13 C ATOM 816 CG2 VAL A 50 -4.344 0.021 -1.774 1.00 52.44 C ATOM 0 H VAL A 50 -3.004 -1.275 0.798 1.00 1.32 H new ATOM 0 HA VAL A 50 -1.943 1.027 -0.724 1.00 71.33 H new ATOM 0 HB VAL A 50 -4.791 0.530 0.248 1.00 4.41 H new ATOM 0 HG11 VAL A 50 -5.362 2.479 -1.152 1.00 74.13 H new ATOM 0 HG12 VAL A 50 -4.217 2.905 0.142 1.00 74.13 H new ATOM 0 HG13 VAL A 50 -3.638 2.708 -1.530 1.00 74.13 H new ATOM 0 HG21 VAL A 50 -5.361 0.193 -2.126 1.00 52.44 H new ATOM 0 HG22 VAL A 50 -3.637 0.308 -2.552 1.00 52.44 H new ATOM 0 HG23 VAL A 50 -4.215 -1.035 -1.539 1.00 52.44 H new ATOM 826 N GLY A 51 -1.625 2.371 1.354 1.00 43.44 N ATOM 827 CA GLY A 51 -1.432 3.168 2.550 1.00 62.54 C ATOM 828 C GLY A 51 -2.074 4.531 2.422 1.00 40.32 C ATOM 829 O GLY A 51 -1.740 5.284 1.502 1.00 65.02 O ATOM 0 H GLY A 51 -1.046 2.646 0.561 1.00 43.44 H new ATOM 0 HA2 GLY A 51 -1.855 2.645 3.408 1.00 62.54 H new ATOM 0 HA3 GLY A 51 -0.365 3.284 2.742 1.00 62.54 H new ATOM 833 N ASP A 52 -2.995 4.853 3.329 1.00 44.25 N ATOM 834 CA ASP A 52 -3.708 6.132 3.287 1.00 62.43 C ATOM 835 C ASP A 52 -3.301 7.031 4.453 1.00 4.31 C ATOM 836 O ASP A 52 -2.867 6.552 5.505 1.00 44.12 O ATOM 837 CB ASP A 52 -5.236 5.925 3.297 1.00 60.13 C ATOM 838 CG ASP A 52 -5.790 5.489 4.656 1.00 52.35 C ATOM 839 OD1 ASP A 52 -6.160 6.371 5.468 1.00 12.24 O ATOM 840 OD2 ASP A 52 -5.882 4.266 4.909 1.00 24.45 O ATOM 0 H ASP A 52 -3.266 4.246 4.103 1.00 44.25 H new ATOM 0 HA ASP A 52 -3.430 6.622 2.354 1.00 62.43 H new ATOM 0 HB2 ASP A 52 -5.721 6.854 2.998 1.00 60.13 H new ATOM 0 HB3 ASP A 52 -5.497 5.175 2.551 1.00 60.13 H new ATOM 845 N TRP A 53 -3.430 8.338 4.240 1.00 75.44 N ATOM 846 CA TRP A 53 -3.190 9.339 5.279 1.00 43.43 C ATOM 847 C TRP A 53 -4.512 10.001 5.671 1.00 0.13 C ATOM 848 O TRP A 53 -4.556 11.200 5.969 1.00 31.22 O ATOM 849 CB TRP A 53 -2.205 10.404 4.772 1.00 72.14 C ATOM 850 CG TRP A 53 -0.828 9.878 4.474 1.00 15.41 C ATOM 851 CD1 TRP A 53 -0.376 9.368 3.288 1.00 33.44 C ATOM 852 CD2 TRP A 53 0.280 9.821 5.380 1.00 51.54 C ATOM 853 NE1 TRP A 53 0.944 9.004 3.404 1.00 4.42 N ATOM 854 CE2 TRP A 53 1.368 9.272 4.678 1.00 41.23 C ATOM 855 CE3 TRP A 53 0.460 10.191 6.717 1.00 13.11 C ATOM 856 CZ2 TRP A 53 2.615 9.078 5.266 1.00 50.11 C ATOM 857 CZ3 TRP A 53 1.697 9.994 7.301 1.00 40.30 C ATOM 858 CH2 TRP A 53 2.762 9.445 6.575 1.00 21.41 C ATOM 0 H TRP A 53 -3.704 8.735 3.341 1.00 75.44 H new ATOM 0 HA TRP A 53 -2.759 8.848 6.151 1.00 43.43 H new ATOM 0 HB2 TRP A 53 -2.612 10.858 3.868 1.00 72.14 H new ATOM 0 HB3 TRP A 53 -2.126 11.195 5.518 1.00 72.14 H new ATOM 0 HD1 TRP A 53 -0.970 9.266 2.392 1.00 33.44 H new ATOM 0 HE1 TRP A 53 1.515 8.600 2.662 1.00 4.42 H new ATOM 0 HE3 TRP A 53 -0.353 10.623 7.282 1.00 13.11 H new ATOM 0 HZ2 TRP A 53 3.437 8.653 4.708 1.00 50.11 H new ATOM 0 HZ3 TRP A 53 1.845 10.268 8.335 1.00 40.30 H new ATOM 0 HH2 TRP A 53 3.718 9.309 7.059 1.00 21.41 H new ATOM 869 N GLY A 54 -5.575 9.198 5.699 1.00 2.44 N ATOM 870 CA GLY A 54 -6.921 9.706 5.930 1.00 54.03 C ATOM 871 C GLY A 54 -7.034 10.586 7.165 1.00 24.33 C ATOM 872 O GLY A 54 -7.461 11.738 7.081 1.00 60.40 O ATOM 0 H GLY A 54 -5.526 8.188 5.563 1.00 2.44 H new ATOM 0 HA2 GLY A 54 -7.240 10.276 5.057 1.00 54.03 H new ATOM 0 HA3 GLY A 54 -7.606 8.864 6.030 1.00 54.03 H new ATOM 876 N TYR A 55 -6.642 10.048 8.316 1.00 51.23 N ATOM 877 CA TYR A 55 -6.695 10.798 9.575 1.00 61.03 C ATOM 878 C TYR A 55 -5.353 11.473 9.839 1.00 22.54 C ATOM 879 O TYR A 55 -5.168 12.135 10.859 1.00 54.45 O ATOM 880 CB TYR A 55 -7.025 9.866 10.750 1.00 42.31 C ATOM 881 CG TYR A 55 -8.217 8.956 10.515 1.00 24.40 C ATOM 882 CD1 TYR A 55 -9.522 9.425 10.641 1.00 1.24 C ATOM 883 CD2 TYR A 55 -8.030 7.620 10.175 1.00 72.24 C ATOM 884 CE1 TYR A 55 -10.602 8.589 10.434 1.00 13.21 C ATOM 885 CE2 TYR A 55 -9.106 6.782 9.967 1.00 22.52 C ATOM 886 CZ TYR A 55 -10.389 7.268 10.097 1.00 1.34 C ATOM 887 OH TYR A 55 -11.462 6.427 9.886 1.00 44.31 O ATOM 0 H TYR A 55 -6.284 9.097 8.407 1.00 51.23 H new ATOM 0 HA TYR A 55 -7.477 11.552 9.486 1.00 61.03 H new ATOM 0 HB2 TYR A 55 -6.151 9.251 10.966 1.00 42.31 H new ATOM 0 HB3 TYR A 55 -7.215 10.472 11.636 1.00 42.31 H new ATOM 0 HD1 TYR A 55 -9.692 10.458 10.905 1.00 1.24 H new ATOM 0 HD2 TYR A 55 -7.027 7.233 10.072 1.00 72.24 H new ATOM 0 HE1 TYR A 55 -11.608 8.968 10.535 1.00 13.21 H new ATOM 0 HE2 TYR A 55 -8.943 5.748 9.703 1.00 22.52 H new ATOM 0 HH TYR A 55 -11.136 5.532 9.656 1.00 44.31 H new ATOM 897 N GLY A 56 -4.423 11.303 8.907 1.00 24.13 N ATOM 898 CA GLY A 56 -3.044 11.689 9.144 1.00 42.44 C ATOM 899 C GLY A 56 -2.234 10.497 9.612 1.00 75.34 C ATOM 900 O GLY A 56 -1.018 10.442 9.433 1.00 12.04 O ATOM 0 H GLY A 56 -4.600 10.902 7.986 1.00 24.13 H new ATOM 0 HA2 GLY A 56 -2.611 12.094 8.229 1.00 42.44 H new ATOM 0 HA3 GLY A 56 -3.005 12.480 9.893 1.00 42.44 H new ATOM 904 N GLN A 57 -2.929 9.544 10.230 1.00 35.25 N ATOM 905 CA GLN A 57 -2.341 8.271 10.620 1.00 12.54 C ATOM 906 C GLN A 57 -2.038 7.445 9.377 1.00 51.23 C ATOM 907 O GLN A 57 -2.935 7.177 8.578 1.00 15.44 O ATOM 908 CB GLN A 57 -3.314 7.490 11.515 1.00 13.04 C ATOM 909 CG GLN A 57 -3.749 8.231 12.772 1.00 63.13 C ATOM 910 CD GLN A 57 -4.844 7.493 13.519 1.00 65.45 C ATOM 911 OE1 GLN A 57 -6.031 7.710 13.280 1.00 53.55 O ATOM 912 NE2 GLN A 57 -4.454 6.602 14.415 1.00 21.33 N ATOM 0 H GLN A 57 -3.915 9.636 10.473 1.00 35.25 H new ATOM 0 HA GLN A 57 -1.420 8.465 11.170 1.00 12.54 H new ATOM 0 HB2 GLN A 57 -4.200 7.237 10.933 1.00 13.04 H new ATOM 0 HB3 GLN A 57 -2.845 6.550 11.806 1.00 13.04 H new ATOM 0 HG2 GLN A 57 -2.890 8.365 13.429 1.00 63.13 H new ATOM 0 HG3 GLN A 57 -4.102 9.226 12.502 1.00 63.13 H new ATOM 0 HE21 GLN A 57 -3.460 6.451 14.585 1.00 21.33 H new ATOM 0 HE22 GLN A 57 -5.148 6.066 14.936 1.00 21.33 H new ATOM 921 N LEU A 58 -0.786 7.050 9.213 1.00 75.42 N ATOM 922 CA LEU A 58 -0.396 6.205 8.094 1.00 52.13 C ATOM 923 C LEU A 58 -0.944 4.796 8.315 1.00 25.21 C ATOM 924 O LEU A 58 -0.504 4.080 9.224 1.00 24.20 O ATOM 925 CB LEU A 58 1.138 6.211 7.944 1.00 50.11 C ATOM 926 CG LEU A 58 1.718 5.495 6.703 1.00 33.33 C ATOM 927 CD1 LEU A 58 1.853 3.994 6.937 1.00 53.35 C ATOM 928 CD2 LEU A 58 0.865 5.776 5.465 1.00 3.30 C ATOM 0 H LEU A 58 -0.022 7.301 9.840 1.00 75.42 H new ATOM 0 HA LEU A 58 -0.816 6.590 7.165 1.00 52.13 H new ATOM 0 HB2 LEU A 58 1.474 7.248 7.926 1.00 50.11 H new ATOM 0 HB3 LEU A 58 1.568 5.752 8.834 1.00 50.11 H new ATOM 0 HG LEU A 58 2.717 5.894 6.529 1.00 33.33 H new ATOM 0 HD11 LEU A 58 2.264 3.522 6.044 1.00 53.35 H new ATOM 0 HD12 LEU A 58 2.519 3.816 7.781 1.00 53.35 H new ATOM 0 HD13 LEU A 58 0.872 3.570 7.153 1.00 53.35 H new ATOM 0 HD21 LEU A 58 1.293 5.262 4.604 1.00 3.30 H new ATOM 0 HD22 LEU A 58 -0.151 5.418 5.634 1.00 3.30 H new ATOM 0 HD23 LEU A 58 0.844 6.849 5.273 1.00 3.30 H new ATOM 940 N ARG A 59 -1.939 4.421 7.517 1.00 23.12 N ATOM 941 CA ARG A 59 -2.604 3.123 7.650 1.00 45.35 C ATOM 942 C ARG A 59 -2.354 2.249 6.422 1.00 12.40 C ATOM 943 O ARG A 59 -2.533 2.701 5.294 1.00 43.55 O ATOM 944 CB ARG A 59 -4.122 3.322 7.823 1.00 63.24 C ATOM 945 CG ARG A 59 -4.533 4.185 9.019 1.00 31.35 C ATOM 946 CD ARG A 59 -4.276 3.493 10.358 1.00 52.11 C ATOM 947 NE ARG A 59 -2.849 3.348 10.644 1.00 65.34 N ATOM 948 CZ ARG A 59 -2.346 2.512 11.548 1.00 62.31 C ATOM 949 NH1 ARG A 59 -3.147 1.705 12.235 1.00 71.44 N ATOM 950 NH2 ARG A 59 -1.035 2.479 11.749 1.00 13.34 N ATOM 0 H ARG A 59 -2.307 5.002 6.764 1.00 23.12 H new ATOM 0 HA ARG A 59 -2.192 2.625 8.528 1.00 45.35 H new ATOM 0 HB2 ARG A 59 -4.519 3.775 6.915 1.00 63.24 H new ATOM 0 HB3 ARG A 59 -4.592 2.343 7.923 1.00 63.24 H new ATOM 0 HG2 ARG A 59 -3.984 5.126 8.989 1.00 31.35 H new ATOM 0 HG3 ARG A 59 -5.592 4.431 8.938 1.00 31.35 H new ATOM 0 HD2 ARG A 59 -4.748 4.066 11.157 1.00 52.11 H new ATOM 0 HD3 ARG A 59 -4.745 2.509 10.352 1.00 52.11 H new ATOM 0 HE ARG A 59 -2.196 3.926 10.115 1.00 65.34 H new ATOM 0 HH11 ARG A 59 -4.153 1.724 12.070 1.00 71.44 H new ATOM 0 HH12 ARG A 59 -2.756 1.066 12.927 1.00 71.44 H new ATOM 0 HH21 ARG A 59 -0.421 3.092 11.212 1.00 13.34 H new ATOM 0 HH22 ARG A 59 -0.641 1.841 12.440 1.00 13.34 H new ATOM 964 N LEU A 60 -1.933 1.004 6.644 1.00 13.14 N ATOM 965 CA LEU A 60 -1.829 0.026 5.562 1.00 24.13 C ATOM 966 C LEU A 60 -3.109 -0.797 5.485 1.00 33.44 C ATOM 967 O LEU A 60 -3.433 -1.552 6.406 1.00 62.21 O ATOM 968 CB LEU A 60 -0.615 -0.904 5.748 1.00 64.23 C ATOM 969 CG LEU A 60 0.727 -0.357 5.235 1.00 1.21 C ATOM 970 CD1 LEU A 60 1.153 0.876 6.019 1.00 61.10 C ATOM 971 CD2 LEU A 60 1.801 -1.439 5.294 1.00 54.31 C ATOM 0 H LEU A 60 -1.659 0.650 7.561 1.00 13.14 H new ATOM 0 HA LEU A 60 -1.687 0.573 4.630 1.00 24.13 H new ATOM 0 HB2 LEU A 60 -0.513 -1.130 6.809 1.00 64.23 H new ATOM 0 HB3 LEU A 60 -0.821 -1.846 5.240 1.00 64.23 H new ATOM 0 HG LEU A 60 0.597 -0.058 4.195 1.00 1.21 H new ATOM 0 HD11 LEU A 60 2.105 1.241 5.634 1.00 61.10 H new ATOM 0 HD12 LEU A 60 0.397 1.654 5.913 1.00 61.10 H new ATOM 0 HD13 LEU A 60 1.262 0.618 7.072 1.00 61.10 H new ATOM 0 HD21 LEU A 60 2.745 -1.035 4.927 1.00 54.31 H new ATOM 0 HD22 LEU A 60 1.925 -1.773 6.324 1.00 54.31 H new ATOM 0 HD23 LEU A 60 1.502 -2.283 4.673 1.00 54.31 H new ATOM 983 N LYS A 61 -3.838 -0.631 4.393 1.00 54.30 N ATOM 984 CA LYS A 61 -5.079 -1.351 4.165 1.00 72.22 C ATOM 985 C LYS A 61 -4.875 -2.376 3.050 1.00 71.33 C ATOM 986 O LYS A 61 -4.480 -2.021 1.938 1.00 11.35 O ATOM 987 CB LYS A 61 -6.191 -0.363 3.782 1.00 51.33 C ATOM 988 CG LYS A 61 -7.602 -0.910 3.971 1.00 33.32 C ATOM 989 CD LYS A 61 -7.963 -1.040 5.451 1.00 31.33 C ATOM 990 CE LYS A 61 -9.400 -1.505 5.648 1.00 53.22 C ATOM 991 NZ LYS A 61 -9.778 -1.542 7.087 1.00 1.20 N ATOM 0 H LYS A 61 -3.585 0.008 3.639 1.00 54.30 H new ATOM 0 HA LYS A 61 -5.372 -1.871 5.077 1.00 72.22 H new ATOM 0 HB2 LYS A 61 -6.080 0.542 4.380 1.00 51.33 H new ATOM 0 HB3 LYS A 61 -6.062 -0.073 2.739 1.00 51.33 H new ATOM 0 HG2 LYS A 61 -8.317 -0.251 3.478 1.00 33.32 H new ATOM 0 HG3 LYS A 61 -7.682 -1.885 3.490 1.00 33.32 H new ATOM 0 HD2 LYS A 61 -7.284 -1.746 5.929 1.00 31.33 H new ATOM 0 HD3 LYS A 61 -7.822 -0.078 5.945 1.00 31.33 H new ATOM 0 HE2 LYS A 61 -10.075 -0.837 5.112 1.00 53.22 H new ATOM 0 HE3 LYS A 61 -9.523 -2.497 5.214 1.00 53.22 H new ATOM 0 HZ1 LYS A 61 -10.763 -1.863 7.179 1.00 1.20 H new ATOM 0 HZ2 LYS A 61 -9.151 -2.199 7.594 1.00 1.20 H new ATOM 0 HZ3 LYS A 61 -9.685 -0.590 7.495 1.00 1.20 H new ATOM 1005 N GLY A 62 -5.118 -3.646 3.360 1.00 64.20 N ATOM 1006 CA GLY A 62 -4.950 -4.704 2.378 1.00 34.43 C ATOM 1007 C GLY A 62 -6.236 -4.994 1.629 1.00 33.41 C ATOM 1008 O GLY A 62 -7.298 -5.122 2.244 1.00 11.53 O ATOM 0 H GLY A 62 -5.430 -3.963 4.278 1.00 64.20 H new ATOM 0 HA2 GLY A 62 -4.173 -4.420 1.668 1.00 34.43 H new ATOM 0 HA3 GLY A 62 -4.609 -5.611 2.877 1.00 34.43 H new ATOM 1012 N PHE A 63 -6.141 -5.097 0.307 1.00 14.43 N ATOM 1013 CA PHE A 63 -7.300 -5.389 -0.537 1.00 75.13 C ATOM 1014 C PHE A 63 -7.032 -6.602 -1.422 1.00 14.41 C ATOM 1015 O PHE A 63 -5.889 -7.013 -1.594 1.00 3.13 O ATOM 1016 CB PHE A 63 -7.654 -4.178 -1.415 1.00 61.22 C ATOM 1017 CG PHE A 63 -8.210 -3.008 -0.645 1.00 54.31 C ATOM 1018 CD1 PHE A 63 -9.566 -2.941 -0.351 1.00 1.13 C ATOM 1019 CD2 PHE A 63 -7.386 -1.977 -0.222 1.00 71.45 C ATOM 1020 CE1 PHE A 63 -10.086 -1.871 0.348 1.00 42.31 C ATOM 1021 CE2 PHE A 63 -7.903 -0.905 0.477 1.00 14.21 C ATOM 1022 CZ PHE A 63 -9.252 -0.852 0.763 1.00 70.00 C ATOM 0 H PHE A 63 -5.268 -4.982 -0.208 1.00 14.43 H new ATOM 0 HA PHE A 63 -8.142 -5.608 0.119 1.00 75.13 H new ATOM 0 HB2 PHE A 63 -6.761 -3.856 -1.951 1.00 61.22 H new ATOM 0 HB3 PHE A 63 -8.382 -4.486 -2.165 1.00 61.22 H new ATOM 0 HD1 PHE A 63 -10.221 -3.736 -0.674 1.00 1.13 H new ATOM 0 HD2 PHE A 63 -6.329 -2.013 -0.441 1.00 71.45 H new ATOM 0 HE1 PHE A 63 -11.142 -1.831 0.570 1.00 42.31 H new ATOM 0 HE2 PHE A 63 -7.251 -0.107 0.800 1.00 14.21 H new ATOM 0 HZ PHE A 63 -9.655 -0.014 1.311 1.00 70.00 H new ATOM 1032 N PHE A 64 -8.097 -7.158 -1.985 1.00 62.15 N ATOM 1033 CA PHE A 64 -7.995 -8.303 -2.885 1.00 74.34 C ATOM 1034 C PHE A 64 -8.179 -7.846 -4.327 1.00 11.22 C ATOM 1035 O PHE A 64 -8.523 -6.688 -4.579 1.00 21.33 O ATOM 1036 CB PHE A 64 -9.052 -9.362 -2.543 1.00 64.11 C ATOM 1037 CG PHE A 64 -8.921 -9.941 -1.154 1.00 61.30 C ATOM 1038 CD1 PHE A 64 -7.989 -10.936 -0.887 1.00 22.33 C ATOM 1039 CD2 PHE A 64 -9.733 -9.496 -0.119 1.00 45.23 C ATOM 1040 CE1 PHE A 64 -7.870 -11.471 0.381 1.00 71.11 C ATOM 1041 CE2 PHE A 64 -9.617 -10.031 1.150 1.00 35.25 C ATOM 1042 CZ PHE A 64 -8.685 -11.020 1.399 1.00 32.32 C ATOM 0 H PHE A 64 -9.051 -6.831 -1.833 1.00 62.15 H new ATOM 0 HA PHE A 64 -7.006 -8.746 -2.765 1.00 74.34 H new ATOM 0 HB2 PHE A 64 -10.042 -8.918 -2.648 1.00 64.11 H new ATOM 0 HB3 PHE A 64 -8.987 -10.172 -3.270 1.00 64.11 H new ATOM 0 HD1 PHE A 64 -7.350 -11.295 -1.680 1.00 22.33 H new ATOM 0 HD2 PHE A 64 -10.463 -8.723 -0.308 1.00 45.23 H new ATOM 0 HE1 PHE A 64 -7.139 -12.242 0.576 1.00 71.11 H new ATOM 0 HE2 PHE A 64 -10.254 -9.676 1.946 1.00 35.25 H new ATOM 0 HZ PHE A 64 -8.594 -11.440 2.390 1.00 32.32 H new ATOM 1052 N ASP A 65 -7.941 -8.756 -5.269 1.00 44.02 N ATOM 1053 CA ASP A 65 -8.113 -8.460 -6.687 1.00 70.41 C ATOM 1054 C ASP A 65 -9.551 -8.021 -6.973 1.00 12.43 C ATOM 1055 O ASP A 65 -10.512 -8.655 -6.522 1.00 11.04 O ATOM 1056 CB ASP A 65 -7.740 -9.679 -7.551 1.00 20.54 C ATOM 1057 CG ASP A 65 -8.596 -10.905 -7.265 1.00 41.13 C ATOM 1058 OD1 ASP A 65 -8.301 -11.625 -6.285 1.00 0.12 O ATOM 1059 OD2 ASP A 65 -9.565 -11.161 -8.014 1.00 14.03 O ATOM 0 H ASP A 65 -7.628 -9.707 -5.074 1.00 44.02 H new ATOM 0 HA ASP A 65 -7.442 -7.641 -6.946 1.00 70.41 H new ATOM 0 HB2 ASP A 65 -7.839 -9.413 -8.604 1.00 20.54 H new ATOM 0 HB3 ASP A 65 -6.692 -9.928 -7.382 1.00 20.54 H new ATOM 1064 N ASP A 66 -9.680 -6.917 -7.700 1.00 2.13 N ATOM 1065 CA ASP A 66 -10.983 -6.352 -8.048 1.00 52.54 C ATOM 1066 C ASP A 66 -11.110 -6.279 -9.570 1.00 51.54 C ATOM 1067 O ASP A 66 -11.590 -7.220 -10.206 1.00 71.24 O ATOM 1068 CB ASP A 66 -11.131 -4.960 -7.406 1.00 4.35 C ATOM 1069 CG ASP A 66 -12.516 -4.344 -7.569 1.00 64.53 C ATOM 1070 OD1 ASP A 66 -12.908 -4.040 -8.714 1.00 25.33 O ATOM 1071 OD2 ASP A 66 -13.200 -4.116 -6.548 1.00 73.13 O ATOM 0 H ASP A 66 -8.888 -6.388 -8.065 1.00 2.13 H new ATOM 0 HA ASP A 66 -11.782 -6.987 -7.666 1.00 52.54 H new ATOM 0 HB2 ASP A 66 -10.901 -5.036 -6.343 1.00 4.35 H new ATOM 0 HB3 ASP A 66 -10.393 -4.289 -7.845 1.00 4.35 H new ATOM 1205 N THR A 75 -5.812 -2.538 -12.360 1.00 0.40 N ATOM 1206 CA THR A 75 -5.359 -2.314 -10.980 1.00 50.11 C ATOM 1207 C THR A 75 -6.206 -1.245 -10.268 1.00 40.44 C ATOM 1208 O THR A 75 -5.838 -0.745 -9.205 1.00 5.22 O ATOM 1209 CB THR A 75 -3.843 -1.954 -10.906 1.00 1.21 C ATOM 1210 OG1 THR A 75 -3.510 -0.889 -11.810 1.00 62.23 O ATOM 1211 CG2 THR A 75 -2.977 -3.170 -11.226 1.00 21.00 C ATOM 0 HA THR A 75 -5.497 -3.260 -10.456 1.00 50.11 H new ATOM 0 HB THR A 75 -3.644 -1.625 -9.886 1.00 1.21 H new ATOM 0 HG1 THR A 75 -4.077 -0.947 -12.607 1.00 62.23 H new ATOM 0 HG21 THR A 75 -1.924 -2.893 -11.168 1.00 21.00 H new ATOM 0 HG22 THR A 75 -3.184 -3.963 -10.507 1.00 21.00 H new ATOM 0 HG23 THR A 75 -3.204 -3.524 -12.232 1.00 21.00 H new ATOM 1219 N LYS A 76 -7.369 -0.943 -10.845 1.00 61.51 N ATOM 1220 CA LYS A 76 -8.277 0.067 -10.310 1.00 52.43 C ATOM 1221 C LYS A 76 -9.301 -0.605 -9.402 1.00 33.51 C ATOM 1222 O LYS A 76 -10.428 -0.876 -9.810 1.00 30.11 O ATOM 1223 CB LYS A 76 -8.972 0.807 -11.466 1.00 34.35 C ATOM 1224 CG LYS A 76 -9.858 1.984 -11.051 1.00 10.43 C ATOM 1225 CD LYS A 76 -9.074 3.072 -10.312 1.00 55.30 C ATOM 1226 CE LYS A 76 -9.856 4.383 -10.228 1.00 11.31 C ATOM 1227 NZ LYS A 76 -11.204 4.205 -9.622 1.00 14.41 N ATOM 0 H LYS A 76 -7.707 -1.392 -11.696 1.00 61.51 H new ATOM 0 HA LYS A 76 -7.716 0.796 -9.725 1.00 52.43 H new ATOM 0 HB2 LYS A 76 -8.208 1.173 -12.152 1.00 34.35 H new ATOM 0 HB3 LYS A 76 -9.581 0.092 -12.019 1.00 34.35 H new ATOM 0 HG2 LYS A 76 -10.324 2.414 -11.937 1.00 10.43 H new ATOM 0 HG3 LYS A 76 -10.663 1.622 -10.411 1.00 10.43 H new ATOM 0 HD2 LYS A 76 -8.835 2.727 -9.306 1.00 55.30 H new ATOM 0 HD3 LYS A 76 -8.127 3.247 -10.822 1.00 55.30 H new ATOM 0 HE2 LYS A 76 -9.289 5.104 -9.639 1.00 11.31 H new ATOM 0 HE3 LYS A 76 -9.963 4.803 -11.228 1.00 11.31 H new ATOM 0 HZ1 LYS A 76 -11.410 5.006 -8.991 1.00 14.41 H new ATOM 0 HZ2 LYS A 76 -11.920 4.164 -10.375 1.00 14.41 H new ATOM 0 HZ3 LYS A 76 -11.225 3.320 -9.076 1.00 14.41 H new ATOM 1241 N ILE A 77 -8.883 -0.915 -8.183 1.00 24.24 N ATOM 1242 CA ILE A 77 -9.740 -1.600 -7.225 1.00 55.41 C ATOM 1243 C ILE A 77 -10.969 -0.742 -6.895 1.00 45.34 C ATOM 1244 O ILE A 77 -10.858 0.289 -6.231 1.00 61.12 O ATOM 1245 CB ILE A 77 -8.960 -1.946 -5.930 1.00 43.35 C ATOM 1246 CG1 ILE A 77 -7.697 -2.757 -6.263 1.00 4.43 C ATOM 1247 CG2 ILE A 77 -9.845 -2.716 -4.953 1.00 14.13 C ATOM 1248 CD1 ILE A 77 -6.852 -3.104 -5.055 1.00 71.11 C ATOM 0 H ILE A 77 -7.949 -0.701 -7.832 1.00 24.24 H new ATOM 0 HA ILE A 77 -10.076 -2.532 -7.679 1.00 55.41 H new ATOM 0 HB ILE A 77 -8.659 -1.012 -5.455 1.00 43.35 H new ATOM 0 HG12 ILE A 77 -7.991 -3.679 -6.765 1.00 4.43 H new ATOM 0 HG13 ILE A 77 -7.089 -2.190 -6.968 1.00 4.43 H new ATOM 0 HG21 ILE A 77 -9.277 -2.948 -4.052 1.00 14.13 H new ATOM 0 HG22 ILE A 77 -10.711 -2.108 -4.690 1.00 14.13 H new ATOM 0 HG23 ILE A 77 -10.181 -3.643 -5.419 1.00 14.13 H new ATOM 0 HD11 ILE A 77 -5.980 -3.676 -5.373 1.00 71.11 H new ATOM 0 HD12 ILE A 77 -6.525 -2.187 -4.564 1.00 71.11 H new ATOM 0 HD13 ILE A 77 -7.441 -3.699 -4.357 1.00 71.11 H new ATOM 1260 N SER A 78 -12.132 -1.170 -7.386 1.00 73.23 N ATOM 1261 CA SER A 78 -13.379 -0.426 -7.217 1.00 1.44 C ATOM 1262 C SER A 78 -13.691 -0.200 -5.733 1.00 34.01 C ATOM 1263 O SER A 78 -13.948 0.933 -5.310 1.00 52.24 O ATOM 1264 CB SER A 78 -14.530 -1.177 -7.906 1.00 62.05 C ATOM 1265 OG SER A 78 -15.741 -0.440 -7.863 1.00 71.54 O ATOM 0 H SER A 78 -12.236 -2.039 -7.910 1.00 73.23 H new ATOM 0 HA SER A 78 -13.265 0.553 -7.682 1.00 1.44 H new ATOM 0 HB2 SER A 78 -14.263 -1.377 -8.944 1.00 62.05 H new ATOM 0 HB3 SER A 78 -14.675 -2.143 -7.422 1.00 62.05 H new ATOM 0 HG SER A 78 -16.449 -0.948 -8.312 1.00 71.54 H new ATOM 1271 N THR A 79 -13.641 -1.269 -4.937 1.00 22.54 N ATOM 1272 CA THR A 79 -13.934 -1.168 -3.507 1.00 75.44 C ATOM 1273 C THR A 79 -12.943 -0.222 -2.813 1.00 71.30 C ATOM 1274 O THR A 79 -13.265 0.404 -1.799 1.00 23.13 O ATOM 1275 CB THR A 79 -13.925 -2.559 -2.814 1.00 72.51 C ATOM 1276 OG1 THR A 79 -14.314 -2.429 -1.439 1.00 24.13 O ATOM 1277 CG2 THR A 79 -12.553 -3.214 -2.887 1.00 23.21 C ATOM 0 H THR A 79 -13.402 -2.208 -5.255 1.00 22.54 H new ATOM 0 HA THR A 79 -14.939 -0.757 -3.413 1.00 75.44 H new ATOM 0 HB THR A 79 -14.637 -3.192 -3.343 1.00 72.51 H new ATOM 0 HG1 THR A 79 -14.307 -3.311 -1.012 1.00 24.13 H new ATOM 0 HG21 THR A 79 -12.586 -4.184 -2.392 1.00 23.21 H new ATOM 0 HG22 THR A 79 -12.269 -3.349 -3.931 1.00 23.21 H new ATOM 0 HG23 THR A 79 -11.820 -2.579 -2.391 1.00 23.21 H new ATOM 1285 N LEU A 80 -11.743 -0.102 -3.386 1.00 21.43 N ATOM 1286 CA LEU A 80 -10.727 0.815 -2.874 1.00 5.02 C ATOM 1287 C LEU A 80 -11.117 2.252 -3.181 1.00 42.54 C ATOM 1288 O LEU A 80 -10.954 3.144 -2.351 1.00 44.43 O ATOM 1289 CB LEU A 80 -9.358 0.504 -3.496 1.00 53.31 C ATOM 1290 CG LEU A 80 -8.268 1.565 -3.274 1.00 45.32 C ATOM 1291 CD1 LEU A 80 -7.956 1.726 -1.789 1.00 40.02 C ATOM 1292 CD2 LEU A 80 -7.011 1.210 -4.069 1.00 65.33 C ATOM 0 H LEU A 80 -11.452 -0.632 -4.208 1.00 21.43 H new ATOM 0 HA LEU A 80 -10.659 0.685 -1.794 1.00 5.02 H new ATOM 0 HB2 LEU A 80 -9.003 -0.444 -3.093 1.00 53.31 H new ATOM 0 HB3 LEU A 80 -9.490 0.365 -4.569 1.00 53.31 H new ATOM 0 HG LEU A 80 -8.640 2.523 -3.636 1.00 45.32 H new ATOM 0 HD11 LEU A 80 -7.182 2.482 -1.660 1.00 40.02 H new ATOM 0 HD12 LEU A 80 -8.857 2.035 -1.259 1.00 40.02 H new ATOM 0 HD13 LEU A 80 -7.606 0.776 -1.386 1.00 40.02 H new ATOM 0 HD21 LEU A 80 -6.248 1.970 -3.902 1.00 65.33 H new ATOM 0 HD22 LEU A 80 -6.635 0.241 -3.742 1.00 65.33 H new ATOM 0 HD23 LEU A 80 -7.253 1.166 -5.131 1.00 65.33 H new ATOM 1304 N ASP A 81 -11.642 2.464 -4.380 1.00 43.43 N ATOM 1305 CA ASP A 81 -12.065 3.793 -4.813 1.00 21.24 C ATOM 1306 C ASP A 81 -13.156 4.314 -3.875 1.00 34.03 C ATOM 1307 O ASP A 81 -13.170 5.488 -3.494 1.00 2.21 O ATOM 1308 CB ASP A 81 -12.572 3.729 -6.259 1.00 70.23 C ATOM 1309 CG ASP A 81 -12.750 5.099 -6.895 1.00 32.34 C ATOM 1310 OD1 ASP A 81 -11.748 5.660 -7.395 1.00 0.13 O ATOM 1311 OD2 ASP A 81 -13.892 5.596 -6.949 1.00 23.33 O ATOM 0 H ASP A 81 -11.786 1.731 -5.074 1.00 43.43 H new ATOM 0 HA ASP A 81 -11.219 4.479 -4.776 1.00 21.24 H new ATOM 0 HB2 ASP A 81 -11.871 3.147 -6.857 1.00 70.23 H new ATOM 0 HB3 ASP A 81 -13.525 3.200 -6.280 1.00 70.23 H new ATOM 1316 N GLU A 82 -14.047 3.405 -3.478 1.00 52.32 N ATOM 1317 CA GLU A 82 -15.110 3.716 -2.523 1.00 14.21 C ATOM 1318 C GLU A 82 -14.522 3.941 -1.124 1.00 42.21 C ATOM 1319 O GLU A 82 -15.064 4.703 -0.321 1.00 13.42 O ATOM 1320 CB GLU A 82 -16.138 2.572 -2.491 1.00 51.10 C ATOM 1321 CG GLU A 82 -16.726 2.241 -3.862 1.00 52.45 C ATOM 1322 CD GLU A 82 -17.732 1.096 -3.817 1.00 51.23 C ATOM 1323 OE1 GLU A 82 -17.319 -0.061 -3.596 1.00 10.02 O ATOM 1324 OE2 GLU A 82 -18.942 1.346 -4.020 1.00 72.23 O ATOM 0 H GLU A 82 -14.053 2.439 -3.807 1.00 52.32 H new ATOM 0 HA GLU A 82 -15.610 4.632 -2.839 1.00 14.21 H new ATOM 0 HB2 GLU A 82 -15.664 1.679 -2.083 1.00 51.10 H new ATOM 0 HB3 GLU A 82 -16.948 2.841 -1.813 1.00 51.10 H new ATOM 0 HG2 GLU A 82 -17.212 3.129 -4.267 1.00 52.45 H new ATOM 0 HG3 GLU A 82 -15.917 1.981 -4.545 1.00 52.45 H new ATOM 1331 N TYR A 83 -13.406 3.269 -0.854 1.00 24.00 N ATOM 1332 CA TYR A 83 -12.692 3.392 0.420 1.00 75.24 C ATOM 1333 C TYR A 83 -12.013 4.758 0.527 1.00 54.14 C ATOM 1334 O TYR A 83 -12.034 5.393 1.581 1.00 61.21 O ATOM 1335 CB TYR A 83 -11.666 2.252 0.534 1.00 43.35 C ATOM 1336 CG TYR A 83 -10.742 2.329 1.737 1.00 32.21 C ATOM 1337 CD1 TYR A 83 -11.198 2.012 3.012 1.00 21.34 C ATOM 1338 CD2 TYR A 83 -9.406 2.696 1.590 1.00 43.33 C ATOM 1339 CE1 TYR A 83 -10.352 2.059 4.103 1.00 61.14 C ATOM 1340 CE2 TYR A 83 -8.557 2.749 2.678 1.00 61.04 C ATOM 1341 CZ TYR A 83 -9.034 2.430 3.931 1.00 62.05 C ATOM 1342 OH TYR A 83 -8.188 2.472 5.018 1.00 21.32 O ATOM 0 H TYR A 83 -12.969 2.623 -1.511 1.00 24.00 H new ATOM 0 HA TYR A 83 -13.401 3.315 1.244 1.00 75.24 H new ATOM 0 HB2 TYR A 83 -12.203 1.304 0.569 1.00 43.35 H new ATOM 0 HB3 TYR A 83 -11.058 2.241 -0.371 1.00 43.35 H new ATOM 0 HD1 TYR A 83 -12.230 1.725 3.151 1.00 21.34 H new ATOM 0 HD2 TYR A 83 -9.028 2.943 0.609 1.00 43.33 H new ATOM 0 HE1 TYR A 83 -10.720 1.806 5.086 1.00 61.14 H new ATOM 0 HE2 TYR A 83 -7.525 3.039 2.548 1.00 61.04 H new ATOM 0 HH TYR A 83 -7.465 3.111 4.846 1.00 21.32 H new ATOM 1352 N ILE A 84 -11.433 5.214 -0.577 1.00 54.50 N ATOM 1353 CA ILE A 84 -10.765 6.512 -0.619 1.00 72.12 C ATOM 1354 C ILE A 84 -11.777 7.635 -0.406 1.00 24.04 C ATOM 1355 O ILE A 84 -11.491 8.624 0.271 1.00 74.43 O ATOM 1356 CB ILE A 84 -10.024 6.720 -1.967 1.00 34.15 C ATOM 1357 CG1 ILE A 84 -8.935 5.648 -2.149 1.00 75.21 C ATOM 1358 CG2 ILE A 84 -9.419 8.122 -2.049 1.00 53.11 C ATOM 1359 CD1 ILE A 84 -7.879 5.646 -1.059 1.00 2.00 C ATOM 0 H ILE A 84 -11.411 4.703 -1.459 1.00 54.50 H new ATOM 0 HA ILE A 84 -10.028 6.534 0.184 1.00 72.12 H new ATOM 0 HB ILE A 84 -10.749 6.620 -2.774 1.00 34.15 H new ATOM 0 HG12 ILE A 84 -9.408 4.667 -2.183 1.00 75.21 H new ATOM 0 HG13 ILE A 84 -8.448 5.800 -3.112 1.00 75.21 H new ATOM 0 HG21 ILE A 84 -8.906 8.242 -3.003 1.00 53.11 H new ATOM 0 HG22 ILE A 84 -10.212 8.866 -1.968 1.00 53.11 H new ATOM 0 HG23 ILE A 84 -8.708 8.260 -1.235 1.00 53.11 H new ATOM 0 HD11 ILE A 84 -7.149 4.862 -1.261 1.00 2.00 H new ATOM 0 HD12 ILE A 84 -7.376 6.613 -1.038 1.00 2.00 H new ATOM 0 HD13 ILE A 84 -8.352 5.462 -0.094 1.00 2.00 H new ATOM 1371 N TYR A 85 -12.972 7.452 -0.957 1.00 32.21 N ATOM 1372 CA TYR A 85 -14.045 8.444 -0.856 1.00 5.54 C ATOM 1373 C TYR A 85 -14.464 8.666 0.608 1.00 23.33 C ATOM 1374 O TYR A 85 -15.100 9.670 0.941 1.00 71.34 O ATOM 1375 CB TYR A 85 -15.248 8.000 -1.703 1.00 71.22 C ATOM 1376 CG TYR A 85 -16.391 9.001 -1.728 1.00 15.04 C ATOM 1377 CD1 TYR A 85 -16.289 10.188 -2.449 1.00 1.31 C ATOM 1378 CD2 TYR A 85 -17.572 8.761 -1.030 1.00 63.01 C ATOM 1379 CE1 TYR A 85 -17.327 11.103 -2.473 1.00 15.30 C ATOM 1380 CE2 TYR A 85 -18.612 9.669 -1.049 1.00 54.24 C ATOM 1381 CZ TYR A 85 -18.487 10.838 -1.772 1.00 21.31 C ATOM 1382 OH TYR A 85 -19.524 11.746 -1.787 1.00 11.02 O ATOM 0 H TYR A 85 -13.227 6.617 -1.485 1.00 32.21 H new ATOM 0 HA TYR A 85 -13.672 9.394 -1.239 1.00 5.54 H new ATOM 0 HB2 TYR A 85 -14.913 7.821 -2.725 1.00 71.22 H new ATOM 0 HB3 TYR A 85 -15.619 7.050 -1.318 1.00 71.22 H new ATOM 0 HD1 TYR A 85 -15.384 10.398 -2.999 1.00 1.31 H new ATOM 0 HD2 TYR A 85 -17.676 7.848 -0.463 1.00 63.01 H new ATOM 0 HE1 TYR A 85 -17.230 12.019 -3.037 1.00 15.30 H new ATOM 0 HE2 TYR A 85 -19.520 9.465 -0.500 1.00 54.24 H new ATOM 0 HH TYR A 85 -20.265 11.405 -1.244 1.00 11.02 H new ATOM 1392 N GLU A 86 -14.100 7.723 1.477 1.00 21.44 N ATOM 1393 CA GLU A 86 -14.424 7.818 2.900 1.00 54.34 C ATOM 1394 C GLU A 86 -13.579 8.887 3.588 1.00 73.25 C ATOM 1395 O GLU A 86 -14.014 9.501 4.565 1.00 4.33 O ATOM 1396 CB GLU A 86 -14.201 6.462 3.584 1.00 25.02 C ATOM 1397 CG GLU A 86 -15.183 5.385 3.147 1.00 63.52 C ATOM 1398 CD GLU A 86 -16.616 5.723 3.519 1.00 11.51 C ATOM 1399 OE1 GLU A 86 -16.982 5.540 4.699 1.00 31.43 O ATOM 1400 OE2 GLU A 86 -17.379 6.182 2.639 1.00 75.25 O ATOM 0 H GLU A 86 -13.580 6.884 1.220 1.00 21.44 H new ATOM 0 HA GLU A 86 -15.473 8.101 2.987 1.00 54.34 H new ATOM 0 HB2 GLU A 86 -13.187 6.122 3.375 1.00 25.02 H new ATOM 0 HB3 GLU A 86 -14.277 6.593 4.663 1.00 25.02 H new ATOM 0 HG2 GLU A 86 -15.113 5.250 2.068 1.00 63.52 H new ATOM 0 HG3 GLU A 86 -14.905 4.436 3.606 1.00 63.52 H new ATOM 1407 N TYR A 87 -12.376 9.109 3.073 1.00 62.31 N ATOM 1408 CA TYR A 87 -11.430 10.037 3.695 1.00 5.20 C ATOM 1409 C TYR A 87 -11.234 11.278 2.833 1.00 41.33 C ATOM 1410 O TYR A 87 -11.310 12.413 3.312 1.00 33.13 O ATOM 1411 CB TYR A 87 -10.068 9.356 3.883 1.00 1.13 C ATOM 1412 CG TYR A 87 -10.118 8.013 4.583 1.00 12.52 C ATOM 1413 CD1 TYR A 87 -10.107 7.924 5.968 1.00 11.12 C ATOM 1414 CD2 TYR A 87 -10.154 6.827 3.851 1.00 63.13 C ATOM 1415 CE1 TYR A 87 -10.127 6.699 6.606 1.00 21.32 C ATOM 1416 CE2 TYR A 87 -10.179 5.602 4.483 1.00 14.25 C ATOM 1417 CZ TYR A 87 -10.164 5.542 5.859 1.00 44.00 C ATOM 1418 OH TYR A 87 -10.172 4.319 6.492 1.00 63.13 O ATOM 0 H TYR A 87 -12.029 8.660 2.225 1.00 62.31 H new ATOM 0 HA TYR A 87 -11.842 10.330 4.661 1.00 5.20 H new ATOM 0 HB2 TYR A 87 -9.607 9.223 2.905 1.00 1.13 H new ATOM 0 HB3 TYR A 87 -9.420 10.022 4.453 1.00 1.13 H new ATOM 0 HD1 TYR A 87 -10.082 8.829 6.557 1.00 11.12 H new ATOM 0 HD2 TYR A 87 -10.162 6.869 2.772 1.00 63.13 H new ATOM 0 HE1 TYR A 87 -10.114 6.648 7.685 1.00 21.32 H new ATOM 0 HE2 TYR A 87 -10.210 4.693 3.901 1.00 14.25 H new ATOM 0 HH TYR A 87 -9.859 3.628 5.872 1.00 63.13 H new ATOM 1428 N CYS A 88 -10.976 11.038 1.557 1.00 13.02 N ATOM 1429 CA CYS A 88 -10.525 12.068 0.636 1.00 34.25 C ATOM 1430 C CYS A 88 -11.687 12.692 -0.134 1.00 62.24 C ATOM 1431 O CYS A 88 -12.351 12.023 -0.925 1.00 2.54 O ATOM 1432 CB CYS A 88 -9.513 11.450 -0.333 1.00 63.33 C ATOM 1433 SG CYS A 88 -8.132 10.594 0.500 1.00 4.33 S ATOM 0 H CYS A 88 -11.074 10.117 1.129 1.00 13.02 H new ATOM 0 HA CYS A 88 -10.058 12.869 1.209 1.00 34.25 H new ATOM 0 HB2 CYS A 88 -10.029 10.743 -0.982 1.00 63.33 H new ATOM 0 HB3 CYS A 88 -9.110 12.235 -0.973 1.00 63.33 H new ATOM 1438 N ASN A 89 -11.932 13.974 0.120 1.00 21.52 N ATOM 1439 CA ASN A 89 -12.903 14.749 -0.648 1.00 41.10 C ATOM 1440 C ASN A 89 -12.181 15.419 -1.814 1.00 31.35 C ATOM 1441 O ASN A 89 -12.653 15.405 -2.953 1.00 10.03 O ATOM 1442 CB ASN A 89 -13.580 15.798 0.257 1.00 50.21 C ATOM 1443 CG ASN A 89 -14.718 16.550 -0.426 1.00 53.33 C ATOM 1444 OD1 ASN A 89 -14.694 16.803 -1.633 1.00 43.34 O ATOM 1445 ND2 ASN A 89 -15.732 16.909 0.347 1.00 5.42 N ATOM 0 H ASN A 89 -11.467 14.502 0.858 1.00 21.52 H new ATOM 0 HA ASN A 89 -13.682 14.093 -1.037 1.00 41.10 H new ATOM 0 HB2 ASN A 89 -13.966 15.302 1.148 1.00 50.21 H new ATOM 0 HB3 ASN A 89 -12.830 16.515 0.591 1.00 50.21 H new ATOM 0 HD21 ASN A 89 -16.525 17.411 -0.053 1.00 5.42 H new ATOM 0 HD22 ASN A 89 -15.720 16.684 1.342 1.00 5.42 H new ATOM 1452 N PHE A 90 -11.013 15.984 -1.513 1.00 23.31 N ATOM 1453 CA PHE A 90 -10.149 16.587 -2.522 1.00 31.20 C ATOM 1454 C PHE A 90 -8.693 16.511 -2.058 1.00 62.51 C ATOM 1455 O PHE A 90 -7.873 15.820 -2.665 1.00 21.33 O ATOM 1456 CB PHE A 90 -10.555 18.045 -2.790 1.00 35.20 C ATOM 1457 CG PHE A 90 -9.766 18.698 -3.901 1.00 34.43 C ATOM 1458 CD1 PHE A 90 -10.095 18.461 -5.229 1.00 35.01 C ATOM 1459 CD2 PHE A 90 -8.697 19.539 -3.619 1.00 45.34 C ATOM 1460 CE1 PHE A 90 -9.374 19.049 -6.251 1.00 22.03 C ATOM 1461 CE2 PHE A 90 -7.974 20.129 -4.641 1.00 54.20 C ATOM 1462 CZ PHE A 90 -8.313 19.884 -5.957 1.00 14.32 C ATOM 0 H PHE A 90 -10.641 16.036 -0.565 1.00 23.31 H new ATOM 0 HA PHE A 90 -10.257 16.035 -3.455 1.00 31.20 H new ATOM 0 HB2 PHE A 90 -11.615 18.078 -3.041 1.00 35.20 H new ATOM 0 HB3 PHE A 90 -10.426 18.623 -1.875 1.00 35.20 H new ATOM 0 HD1 PHE A 90 -10.924 17.810 -5.466 1.00 35.01 H new ATOM 0 HD2 PHE A 90 -8.427 19.734 -2.592 1.00 45.34 H new ATOM 0 HE1 PHE A 90 -9.640 18.856 -7.280 1.00 22.03 H new ATOM 0 HE2 PHE A 90 -7.145 20.781 -4.409 1.00 54.20 H new ATOM 0 HZ PHE A 90 -7.750 20.344 -6.755 1.00 14.32 H new ATOM 1472 N GLY A 91 -8.384 17.223 -0.973 1.00 21.43 N ATOM 1473 CA GLY A 91 -7.061 17.142 -0.377 1.00 74.52 C ATOM 1474 C GLY A 91 -6.807 15.757 0.179 1.00 12.03 C ATOM 1475 O GLY A 91 -7.399 15.370 1.188 1.00 10.02 O ATOM 0 H GLY A 91 -9.028 17.854 -0.497 1.00 21.43 H new ATOM 0 HA2 GLY A 91 -6.305 17.383 -1.124 1.00 74.52 H new ATOM 0 HA3 GLY A 91 -6.970 17.881 0.419 1.00 74.52 H new ATOM 1479 N CYS A 92 -5.950 14.996 -0.491 1.00 21.42 N ATOM 1480 CA CYS A 92 -5.748 13.591 -0.158 1.00 45.01 C ATOM 1481 C CYS A 92 -4.292 13.188 -0.342 1.00 24.04 C ATOM 1482 O CYS A 92 -3.501 13.933 -0.920 1.00 64.43 O ATOM 1483 CB CYS A 92 -6.644 12.722 -1.047 1.00 52.25 C ATOM 1484 SG CYS A 92 -6.537 10.935 -0.706 1.00 41.20 S ATOM 0 H CYS A 92 -5.382 15.329 -1.270 1.00 21.42 H new ATOM 0 HA CYS A 92 -6.011 13.443 0.889 1.00 45.01 H new ATOM 0 HB2 CYS A 92 -7.679 13.042 -0.922 1.00 52.25 H new ATOM 0 HB3 CYS A 92 -6.380 12.897 -2.090 1.00 52.25 H new ATOM 1489 N ALA A 93 -3.954 12.005 0.158 1.00 62.41 N ATOM 1490 CA ALA A 93 -2.618 11.437 0.009 1.00 74.22 C ATOM 1491 C ALA A 93 -2.647 9.950 0.351 1.00 62.21 C ATOM 1492 O ALA A 93 -2.985 9.573 1.474 1.00 43.15 O ATOM 1493 CB ALA A 93 -1.609 12.170 0.891 1.00 5.43 C ATOM 0 H ALA A 93 -4.599 11.411 0.679 1.00 62.41 H new ATOM 0 HA ALA A 93 -2.304 11.558 -1.028 1.00 74.22 H new ATOM 0 HB1 ALA A 93 -0.622 11.726 0.761 1.00 5.43 H new ATOM 0 HB2 ALA A 93 -1.575 13.222 0.607 1.00 5.43 H new ATOM 0 HB3 ALA A 93 -1.910 12.085 1.935 1.00 5.43 H new ATOM 1499 N TYR A 94 -2.314 9.113 -0.627 1.00 72.41 N ATOM 1500 CA TYR A 94 -2.277 7.668 -0.435 1.00 21.23 C ATOM 1501 C TYR A 94 -1.443 7.022 -1.536 1.00 3.10 C ATOM 1502 O TYR A 94 -1.231 7.621 -2.596 1.00 45.04 O ATOM 1503 CB TYR A 94 -3.698 7.076 -0.423 1.00 62.03 C ATOM 1504 CG TYR A 94 -4.413 7.145 -1.761 1.00 12.21 C ATOM 1505 CD1 TYR A 94 -4.989 8.330 -2.209 1.00 11.31 C ATOM 1506 CD2 TYR A 94 -4.512 6.021 -2.576 1.00 21.11 C ATOM 1507 CE1 TYR A 94 -5.638 8.393 -3.428 1.00 51.51 C ATOM 1508 CE2 TYR A 94 -5.161 6.077 -3.793 1.00 5.35 C ATOM 1509 CZ TYR A 94 -5.721 7.264 -4.215 1.00 12.22 C ATOM 1510 OH TYR A 94 -6.361 7.323 -5.434 1.00 3.22 O ATOM 0 H TYR A 94 -2.064 9.415 -1.569 1.00 72.41 H new ATOM 0 HA TYR A 94 -1.818 7.459 0.531 1.00 21.23 H new ATOM 0 HB2 TYR A 94 -3.643 6.034 -0.107 1.00 62.03 H new ATOM 0 HB3 TYR A 94 -4.293 7.604 0.322 1.00 62.03 H new ATOM 0 HD1 TYR A 94 -4.928 9.216 -1.594 1.00 11.31 H new ATOM 0 HD2 TYR A 94 -4.074 5.089 -2.251 1.00 21.11 H new ATOM 0 HE1 TYR A 94 -6.077 9.321 -3.762 1.00 51.51 H new ATOM 0 HE2 TYR A 94 -5.230 5.195 -4.412 1.00 5.35 H new ATOM 0 HH TYR A 94 -5.700 7.252 -6.154 1.00 3.22 H new ATOM 1520 N PHE A 95 -0.987 5.800 -1.293 1.00 24.32 N ATOM 1521 CA PHE A 95 -0.143 5.081 -2.245 1.00 22.10 C ATOM 1522 C PHE A 95 -0.593 3.628 -2.379 1.00 33.22 C ATOM 1523 O PHE A 95 -0.967 2.994 -1.390 1.00 32.24 O ATOM 1524 CB PHE A 95 1.331 5.157 -1.817 1.00 45.03 C ATOM 1525 CG PHE A 95 1.585 4.769 -0.376 1.00 13.44 C ATOM 1526 CD1 PHE A 95 1.519 5.721 0.634 1.00 4.44 C ATOM 1527 CD2 PHE A 95 1.903 3.463 -0.033 1.00 24.12 C ATOM 1528 CE1 PHE A 95 1.761 5.376 1.949 1.00 44.13 C ATOM 1529 CE2 PHE A 95 2.147 3.115 1.281 1.00 50.43 C ATOM 1530 CZ PHE A 95 2.076 4.072 2.272 1.00 13.41 C ATOM 0 H PHE A 95 -1.188 5.281 -0.438 1.00 24.32 H new ATOM 0 HA PHE A 95 -0.244 5.556 -3.221 1.00 22.10 H new ATOM 0 HB2 PHE A 95 1.919 4.506 -2.465 1.00 45.03 H new ATOM 0 HB3 PHE A 95 1.691 6.174 -1.976 1.00 45.03 H new ATOM 0 HD1 PHE A 95 1.275 6.744 0.387 1.00 4.44 H new ATOM 0 HD2 PHE A 95 1.961 2.709 -0.804 1.00 24.12 H new ATOM 0 HE1 PHE A 95 1.704 6.126 2.724 1.00 44.13 H new ATOM 0 HE2 PHE A 95 2.393 2.094 1.533 1.00 50.43 H new ATOM 0 HZ PHE A 95 2.267 3.801 3.300 1.00 13.41 H new ATOM 1540 N VAL A 96 -0.567 3.114 -3.608 1.00 52.14 N ATOM 1541 CA VAL A 96 -0.984 1.743 -3.887 1.00 74.12 C ATOM 1542 C VAL A 96 0.187 0.933 -4.445 1.00 72.12 C ATOM 1543 O VAL A 96 0.732 1.255 -5.506 1.00 64.52 O ATOM 1544 CB VAL A 96 -2.153 1.701 -4.905 1.00 33.30 C ATOM 1545 CG1 VAL A 96 -2.648 0.269 -5.114 1.00 41.25 C ATOM 1546 CG2 VAL A 96 -3.294 2.618 -4.463 1.00 5.14 C ATOM 0 H VAL A 96 -0.259 3.632 -4.431 1.00 52.14 H new ATOM 0 HA VAL A 96 -1.321 1.309 -2.946 1.00 74.12 H new ATOM 0 HB VAL A 96 -1.779 2.067 -5.861 1.00 33.30 H new ATOM 0 HG11 VAL A 96 -3.468 0.269 -5.832 1.00 41.25 H new ATOM 0 HG12 VAL A 96 -1.832 -0.346 -5.494 1.00 41.25 H new ATOM 0 HG13 VAL A 96 -2.997 -0.137 -4.165 1.00 41.25 H new ATOM 0 HG21 VAL A 96 -4.102 2.571 -5.193 1.00 5.14 H new ATOM 0 HG22 VAL A 96 -3.665 2.295 -3.490 1.00 5.14 H new ATOM 0 HG23 VAL A 96 -2.930 3.643 -4.390 1.00 5.14 H new ATOM 1556 N LEU A 97 0.575 -0.102 -3.710 1.00 65.01 N ATOM 1557 CA LEU A 97 1.624 -1.023 -4.140 1.00 4.34 C ATOM 1558 C LEU A 97 1.014 -2.372 -4.515 1.00 43.05 C ATOM 1559 O LEU A 97 0.141 -2.883 -3.811 1.00 25.22 O ATOM 1560 CB LEU A 97 2.670 -1.227 -3.025 1.00 31.55 C ATOM 1561 CG LEU A 97 3.725 -0.113 -2.864 1.00 60.45 C ATOM 1562 CD1 LEU A 97 3.087 1.231 -2.538 1.00 72.32 C ATOM 1563 CD2 LEU A 97 4.739 -0.496 -1.789 1.00 44.24 C ATOM 0 H LEU A 97 0.173 -0.328 -2.800 1.00 65.01 H new ATOM 0 HA LEU A 97 2.119 -0.589 -5.009 1.00 4.34 H new ATOM 0 HB2 LEU A 97 2.143 -1.338 -2.078 1.00 31.55 H new ATOM 0 HB3 LEU A 97 3.190 -2.166 -3.212 1.00 31.55 H new ATOM 0 HG LEU A 97 4.240 -0.007 -3.819 1.00 60.45 H new ATOM 0 HD11 LEU A 97 3.865 1.987 -2.433 1.00 72.32 H new ATOM 0 HD12 LEU A 97 2.409 1.517 -3.343 1.00 72.32 H new ATOM 0 HD13 LEU A 97 2.529 1.152 -1.605 1.00 72.32 H new ATOM 0 HD21 LEU A 97 5.478 0.299 -1.686 1.00 44.24 H new ATOM 0 HD22 LEU A 97 4.225 -0.639 -0.839 1.00 44.24 H new ATOM 0 HD23 LEU A 97 5.239 -1.421 -2.074 1.00 44.24 H new ATOM 1575 N LYS A 98 1.473 -2.943 -5.621 1.00 42.22 N ATOM 1576 CA LYS A 98 1.050 -4.282 -6.026 1.00 65.42 C ATOM 1577 C LYS A 98 2.193 -5.264 -5.804 1.00 20.31 C ATOM 1578 O LYS A 98 3.362 -4.915 -5.993 1.00 43.01 O ATOM 1579 CB LYS A 98 0.612 -4.307 -7.499 1.00 20.14 C ATOM 1580 CG LYS A 98 0.296 -5.711 -8.017 1.00 12.50 C ATOM 1581 CD LYS A 98 -0.203 -5.702 -9.460 1.00 42.05 C ATOM 1582 CE LYS A 98 -0.412 -7.119 -9.991 1.00 33.21 C ATOM 1583 NZ LYS A 98 -1.370 -7.899 -9.159 1.00 3.55 N ATOM 0 H LYS A 98 2.139 -2.502 -6.256 1.00 42.22 H new ATOM 0 HA LYS A 98 0.193 -4.572 -5.418 1.00 65.42 H new ATOM 0 HB2 LYS A 98 -0.270 -3.677 -7.619 1.00 20.14 H new ATOM 0 HB3 LYS A 98 1.401 -3.871 -8.112 1.00 20.14 H new ATOM 0 HG2 LYS A 98 1.191 -6.330 -7.949 1.00 12.50 H new ATOM 0 HG3 LYS A 98 -0.458 -6.170 -7.378 1.00 12.50 H new ATOM 0 HD2 LYS A 98 -1.141 -5.149 -9.518 1.00 42.05 H new ATOM 0 HD3 LYS A 98 0.515 -5.179 -10.091 1.00 42.05 H new ATOM 0 HE2 LYS A 98 -0.780 -7.070 -11.016 1.00 33.21 H new ATOM 0 HE3 LYS A 98 0.546 -7.638 -10.021 1.00 33.21 H new ATOM 0 HZ1 LYS A 98 -1.623 -8.778 -9.653 1.00 3.55 H new ATOM 0 HZ2 LYS A 98 -0.929 -8.130 -8.246 1.00 3.55 H new ATOM 0 HZ3 LYS A 98 -2.228 -7.334 -8.996 1.00 3.55 H new ATOM 1597 N ARG A 99 1.857 -6.480 -5.388 1.00 43.11 N ATOM 1598 CA ARG A 99 2.859 -7.503 -5.130 1.00 22.12 C ATOM 1599 C ARG A 99 3.397 -8.079 -6.433 1.00 22.52 C ATOM 1600 O ARG A 99 2.654 -8.675 -7.215 1.00 61.13 O ATOM 1601 CB ARG A 99 2.287 -8.641 -4.267 1.00 22.30 C ATOM 1602 CG ARG A 99 3.268 -9.797 -4.054 1.00 15.45 C ATOM 1603 CD ARG A 99 4.494 -9.370 -3.241 1.00 2.33 C ATOM 1604 NE ARG A 99 5.723 -10.027 -3.701 1.00 14.23 N ATOM 1605 CZ ARG A 99 6.313 -11.058 -3.090 1.00 11.13 C ATOM 1606 NH1 ARG A 99 5.752 -11.638 -2.033 1.00 43.21 N ATOM 1607 NH2 ARG A 99 7.464 -11.529 -3.554 1.00 13.25 N ATOM 0 H ARG A 99 0.896 -6.780 -5.223 1.00 43.11 H new ATOM 0 HA ARG A 99 3.674 -7.025 -4.586 1.00 22.12 H new ATOM 0 HB2 ARG A 99 1.995 -8.239 -3.297 1.00 22.30 H new ATOM 0 HB3 ARG A 99 1.382 -9.025 -4.739 1.00 22.30 H new ATOM 0 HG2 ARG A 99 2.760 -10.613 -3.541 1.00 15.45 H new ATOM 0 HG3 ARG A 99 3.591 -10.181 -5.022 1.00 15.45 H new ATOM 0 HD2 ARG A 99 4.615 -8.289 -3.310 1.00 2.33 H new ATOM 0 HD3 ARG A 99 4.330 -9.606 -2.189 1.00 2.33 H new ATOM 0 HE ARG A 99 6.159 -9.670 -4.551 1.00 14.23 H new ATOM 0 HH11 ARG A 99 4.859 -11.296 -1.678 1.00 43.21 H new ATOM 0 HH12 ARG A 99 6.215 -12.424 -1.577 1.00 43.21 H new ATOM 0 HH21 ARG A 99 7.895 -11.104 -4.375 1.00 13.25 H new ATOM 0 HH22 ARG A 99 7.917 -12.316 -3.090 1.00 13.25 H new ATOM 1621 N ILE A 100 4.686 -7.884 -6.665 1.00 34.15 N ATOM 1622 CA ILE A 100 5.375 -8.577 -7.736 1.00 73.11 C ATOM 1623 C ILE A 100 5.622 -10.006 -7.284 1.00 45.23 C ATOM 1624 O ILE A 100 6.381 -10.238 -6.338 1.00 22.23 O ATOM 1625 CB ILE A 100 6.726 -7.906 -8.095 1.00 34.03 C ATOM 1626 CG1 ILE A 100 6.512 -6.429 -8.458 1.00 34.24 C ATOM 1627 CG2 ILE A 100 7.409 -8.652 -9.243 1.00 4.04 C ATOM 1628 CD1 ILE A 100 5.557 -6.214 -9.610 1.00 50.24 C ATOM 0 H ILE A 100 5.274 -7.250 -6.124 1.00 34.15 H new ATOM 0 HA ILE A 100 4.754 -8.544 -8.631 1.00 73.11 H new ATOM 0 HB ILE A 100 7.378 -7.954 -7.223 1.00 34.03 H new ATOM 0 HG12 ILE A 100 6.135 -5.901 -7.582 1.00 34.24 H new ATOM 0 HG13 ILE A 100 7.475 -5.983 -8.709 1.00 34.24 H new ATOM 0 HG21 ILE A 100 8.355 -8.166 -9.481 1.00 4.04 H new ATOM 0 HG22 ILE A 100 7.595 -9.684 -8.946 1.00 4.04 H new ATOM 0 HG23 ILE A 100 6.763 -8.638 -10.121 1.00 4.04 H new ATOM 0 HD11 ILE A 100 5.458 -5.146 -9.806 1.00 50.24 H new ATOM 0 HD12 ILE A 100 5.942 -6.712 -10.500 1.00 50.24 H new ATOM 0 HD13 ILE A 100 4.581 -6.628 -9.356 1.00 50.24 H new ATOM 1640 N ARG A 101 4.943 -10.952 -7.916 1.00 0.01 N ATOM 1641 CA ARG A 101 5.057 -12.355 -7.543 1.00 0.13 C ATOM 1642 C ARG A 101 6.437 -12.870 -7.930 1.00 33.33 C ATOM 1643 O ARG A 101 6.631 -13.511 -8.968 1.00 44.14 O ATOM 1644 CB ARG A 101 3.915 -13.162 -8.177 1.00 23.50 C ATOM 1645 CG ARG A 101 2.549 -12.627 -7.758 1.00 14.53 C ATOM 1646 CD ARG A 101 1.380 -13.399 -8.357 1.00 73.54 C ATOM 1647 NE ARG A 101 0.111 -12.814 -7.934 1.00 14.23 N ATOM 1648 CZ ARG A 101 -1.074 -13.415 -8.014 1.00 43.02 C ATOM 1649 NH1 ARG A 101 -1.192 -14.625 -8.545 1.00 34.40 N ATOM 1650 NH2 ARG A 101 -2.150 -12.794 -7.564 1.00 61.51 N ATOM 0 H ARG A 101 4.305 -10.773 -8.692 1.00 0.01 H new ATOM 0 HA ARG A 101 4.959 -12.472 -6.464 1.00 0.13 H new ATOM 0 HB2 ARG A 101 4.003 -13.126 -9.263 1.00 23.50 H new ATOM 0 HB3 ARG A 101 4.002 -14.208 -7.884 1.00 23.50 H new ATOM 0 HG2 ARG A 101 2.474 -12.657 -6.671 1.00 14.53 H new ATOM 0 HG3 ARG A 101 2.472 -11.581 -8.054 1.00 14.53 H new ATOM 0 HD2 ARG A 101 1.448 -13.387 -9.445 1.00 73.54 H new ATOM 0 HD3 ARG A 101 1.428 -14.443 -8.046 1.00 73.54 H new ATOM 0 HE ARG A 101 0.134 -11.871 -7.547 1.00 14.23 H new ATOM 0 HH11 ARG A 101 -0.367 -15.109 -8.900 1.00 34.40 H new ATOM 0 HH12 ARG A 101 -2.108 -15.071 -8.599 1.00 34.40 H new ATOM 0 HH21 ARG A 101 -2.069 -11.861 -7.159 1.00 61.51 H new ATOM 0 HH22 ARG A 101 -3.062 -13.247 -7.621 1.00 61.51 H new ATOM 1664 N LYS A 102 7.392 -12.520 -7.076 1.00 50.11 N ATOM 1665 CA LYS A 102 8.811 -12.726 -7.306 1.00 21.02 C ATOM 1666 C LYS A 102 9.586 -12.102 -6.148 1.00 41.12 C ATOM 1667 O LYS A 102 9.236 -11.014 -5.683 1.00 22.23 O ATOM 1668 CB LYS A 102 9.233 -12.083 -8.644 1.00 35.51 C ATOM 1669 CG LYS A 102 10.728 -11.792 -8.769 1.00 42.22 C ATOM 1670 CD LYS A 102 11.069 -11.155 -10.116 1.00 3.13 C ATOM 1671 CE LYS A 102 12.469 -10.551 -10.121 1.00 43.13 C ATOM 1672 NZ LYS A 102 12.577 -9.395 -9.191 1.00 12.05 N ATOM 0 H LYS A 102 7.192 -12.073 -6.181 1.00 50.11 H new ATOM 0 HA LYS A 102 9.027 -13.793 -7.361 1.00 21.02 H new ATOM 0 HB2 LYS A 102 8.936 -12.744 -9.459 1.00 35.51 H new ATOM 0 HB3 LYS A 102 8.683 -11.151 -8.773 1.00 35.51 H new ATOM 0 HG2 LYS A 102 11.038 -11.127 -7.963 1.00 42.22 H new ATOM 0 HG3 LYS A 102 11.290 -12.718 -8.652 1.00 42.22 H new ATOM 0 HD2 LYS A 102 10.995 -11.906 -10.902 1.00 3.13 H new ATOM 0 HD3 LYS A 102 10.338 -10.380 -10.346 1.00 3.13 H new ATOM 0 HE2 LYS A 102 13.195 -11.314 -9.838 1.00 43.13 H new ATOM 0 HE3 LYS A 102 12.722 -10.229 -11.131 1.00 43.13 H new ATOM 0 HZ1 LYS A 102 13.406 -8.821 -9.445 1.00 12.05 H new ATOM 0 HZ2 LYS A 102 11.718 -8.812 -9.260 1.00 12.05 H new ATOM 0 HZ3 LYS A 102 12.682 -9.742 -8.216 1.00 12.05 H new ATOM 1686 N LEU A 103 10.596 -12.814 -5.662 1.00 4.12 N ATOM 1687 CA LEU A 103 11.487 -12.323 -4.611 1.00 21.40 C ATOM 1688 C LEU A 103 12.521 -13.402 -4.322 1.00 51.02 C ATOM 1689 O LEU A 103 12.198 -14.438 -3.731 1.00 32.24 O ATOM 1690 CB LEU A 103 10.696 -11.958 -3.330 1.00 62.21 C ATOM 1691 CG LEU A 103 11.463 -11.168 -2.239 1.00 1.32 C ATOM 1692 CD1 LEU A 103 12.462 -12.048 -1.491 1.00 10.25 C ATOM 1693 CD2 LEU A 103 12.169 -9.951 -2.838 1.00 65.11 C ATOM 0 H LEU A 103 10.823 -13.754 -5.986 1.00 4.12 H new ATOM 0 HA LEU A 103 11.983 -11.412 -4.947 1.00 21.40 H new ATOM 0 HB2 LEU A 103 9.824 -11.373 -3.624 1.00 62.21 H new ATOM 0 HB3 LEU A 103 10.326 -12.881 -2.884 1.00 62.21 H new ATOM 0 HG LEU A 103 10.723 -10.822 -1.517 1.00 1.32 H new ATOM 0 HD11 LEU A 103 12.977 -11.453 -0.736 1.00 10.25 H new ATOM 0 HD12 LEU A 103 11.933 -12.869 -1.007 1.00 10.25 H new ATOM 0 HD13 LEU A 103 13.191 -12.450 -2.195 1.00 10.25 H new ATOM 0 HD21 LEU A 103 12.699 -9.414 -2.051 1.00 65.11 H new ATOM 0 HD22 LEU A 103 12.880 -10.279 -3.596 1.00 65.11 H new ATOM 0 HD23 LEU A 103 11.432 -9.290 -3.294 1.00 65.11 H new