USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 844 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 Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.359 X(o=-0.36,f=0) USER MOD Single : A 23 ASN : amide:sc= 0.269 X(o=0.27,f=0.068) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.181 F(o=-2.5,f=-0.18) USER MOD Single : A 34 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.056) USER MOD Single : A 36 LYS NZ :NH3+ -132:sc= -0.566 (180deg=-3.46!) USER MOD Single : A 39 LYS NZ :NH3+ 152:sc= 1.25 (180deg=0.853) USER MOD Single : A 50 TYR OH : rot 5:sc= 0.0975 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -117:sc= 0.765 (180deg=-0.0435) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -170:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -130:sc= 0.133 USER MOD Single : A 71 SER OG : rot 32:sc= 0.154 USER MOD Single : A 73 SER OG : rot -81:sc= 1.32 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= -0.0737 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -32:sc= 0.0177 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.329 X(o=-0.33,f=-0.019) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0564 USER MOD Single : A 101 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.59) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 146 N LYS A 11 6.843 -13.207 6.293 1.00 32.54 N ATOM 147 CA LYS A 11 5.874 -12.886 5.242 1.00 5.23 C ATOM 148 C LYS A 11 6.563 -12.239 4.050 1.00 63.41 C ATOM 149 O LYS A 11 7.148 -11.159 4.167 1.00 2.21 O ATOM 150 CB LYS A 11 4.828 -11.916 5.822 1.00 31.14 C ATOM 151 CG LYS A 11 3.946 -12.487 6.947 1.00 43.22 C ATOM 152 CD LYS A 11 2.816 -13.360 6.403 1.00 13.11 C ATOM 153 CE LYS A 11 2.188 -14.175 7.536 1.00 2.23 C ATOM 154 NZ LYS A 11 1.110 -15.062 7.062 1.00 10.44 N ATOM 0 HA LYS A 11 5.396 -13.804 4.901 1.00 5.23 H new ATOM 0 HB2 LYS A 11 5.346 -11.035 6.202 1.00 31.14 H new ATOM 0 HB3 LYS A 11 4.181 -11.580 5.012 1.00 31.14 H new ATOM 0 HG2 LYS A 11 4.562 -13.075 7.628 1.00 43.22 H new ATOM 0 HG3 LYS A 11 3.523 -11.667 7.527 1.00 43.22 H new ATOM 0 HD2 LYS A 11 2.058 -12.735 5.931 1.00 13.11 H new ATOM 0 HD3 LYS A 11 3.201 -14.029 5.634 1.00 13.11 H new ATOM 0 HE2 LYS A 11 2.960 -14.773 8.020 1.00 2.23 H new ATOM 0 HE3 LYS A 11 1.790 -13.496 8.291 1.00 2.23 H new ATOM 0 HZ1 LYS A 11 0.717 -15.592 7.866 1.00 10.44 H new ATOM 0 HZ2 LYS A 11 0.359 -14.492 6.623 1.00 10.44 H new ATOM 0 HZ3 LYS A 11 1.492 -15.729 6.362 1.00 10.44 H new ATOM 168 N ASP A 12 6.421 -12.862 2.884 1.00 3.43 N ATOM 169 CA ASP A 12 6.992 -12.412 1.618 1.00 4.45 C ATOM 170 C ASP A 12 6.307 -11.152 1.108 1.00 40.33 C ATOM 171 O ASP A 12 6.941 -10.322 0.454 1.00 2.40 O ATOM 172 CB ASP A 12 6.766 -13.474 0.547 1.00 41.24 C ATOM 173 CG ASP A 12 7.723 -14.647 0.648 1.00 33.14 C ATOM 174 OD1 ASP A 12 8.939 -14.444 0.448 1.00 34.02 O ATOM 175 OD2 ASP A 12 7.241 -15.778 0.891 1.00 24.21 O ATOM 0 H ASP A 12 5.886 -13.725 2.791 1.00 3.43 H new ATOM 0 HA ASP A 12 8.050 -12.223 1.800 1.00 4.45 H new ATOM 0 HB2 ASP A 12 5.743 -13.842 0.622 1.00 41.24 H new ATOM 0 HB3 ASP A 12 6.869 -13.015 -0.436 1.00 41.24 H new ATOM 180 N LYS A 13 4.999 -11.018 1.352 1.00 34.15 N ATOM 181 CA LYS A 13 4.237 -9.853 0.916 1.00 34.32 C ATOM 182 C LYS A 13 4.708 -8.657 1.722 1.00 64.43 C ATOM 183 O LYS A 13 4.994 -7.611 1.152 1.00 33.13 O ATOM 184 CB LYS A 13 2.726 -10.087 1.070 1.00 1.12 C ATOM 185 CG LYS A 13 2.194 -11.288 0.256 1.00 22.11 C ATOM 186 CD LYS A 13 2.009 -11.017 -1.249 1.00 34.42 C ATOM 187 CE LYS A 13 0.762 -10.183 -1.597 1.00 73.12 C ATOM 188 NZ LYS A 13 -0.500 -10.957 -1.593 1.00 25.54 N ATOM 0 H LYS A 13 4.446 -11.712 1.855 1.00 34.15 H new ATOM 0 HA LYS A 13 4.408 -9.668 -0.144 1.00 34.32 H new ATOM 0 HB2 LYS A 13 2.498 -10.245 2.124 1.00 1.12 H new ATOM 0 HB3 LYS A 13 2.195 -9.187 0.761 1.00 1.12 H new ATOM 0 HG2 LYS A 13 2.882 -12.125 0.378 1.00 22.11 H new ATOM 0 HG3 LYS A 13 1.237 -11.598 0.675 1.00 22.11 H new ATOM 0 HD2 LYS A 13 2.893 -10.501 -1.624 1.00 34.42 H new ATOM 0 HD3 LYS A 13 1.951 -11.971 -1.773 1.00 34.42 H new ATOM 0 HE2 LYS A 13 0.676 -9.363 -0.884 1.00 73.12 H new ATOM 0 HE3 LYS A 13 0.899 -9.736 -2.582 1.00 73.12 H new ATOM 0 HZ1 LYS A 13 -1.293 -10.329 -1.836 1.00 25.54 H new ATOM 0 HZ2 LYS A 13 -0.439 -11.724 -2.293 1.00 25.54 H new ATOM 0 HZ3 LYS A 13 -0.656 -11.362 -0.648 1.00 25.54 H new ATOM 202 N LEU A 14 4.824 -8.811 3.043 1.00 72.14 N ATOM 203 CA LEU A 14 5.273 -7.716 3.883 1.00 62.44 C ATOM 204 C LEU A 14 6.706 -7.325 3.555 1.00 63.33 C ATOM 205 O LEU A 14 6.997 -6.147 3.656 1.00 44.13 O ATOM 206 CB LEU A 14 5.156 -8.060 5.375 1.00 52.01 C ATOM 207 CG LEU A 14 3.728 -8.424 5.815 1.00 14.30 C ATOM 208 CD1 LEU A 14 3.712 -8.814 7.296 1.00 20.41 C ATOM 209 CD2 LEU A 14 2.750 -7.262 5.638 1.00 43.20 C ATOM 0 H LEU A 14 4.614 -9.675 3.543 1.00 72.14 H new ATOM 0 HA LEU A 14 4.620 -6.869 3.675 1.00 62.44 H new ATOM 0 HB2 LEU A 14 5.820 -8.895 5.600 1.00 52.01 H new ATOM 0 HB3 LEU A 14 5.502 -7.210 5.963 1.00 52.01 H new ATOM 0 HG LEU A 14 3.416 -9.255 5.182 1.00 14.30 H new ATOM 0 HD11 LEU A 14 2.695 -9.069 7.594 1.00 20.41 H new ATOM 0 HD12 LEU A 14 4.363 -9.674 7.453 1.00 20.41 H new ATOM 0 HD13 LEU A 14 4.067 -7.976 7.897 1.00 20.41 H new ATOM 0 HD21 LEU A 14 1.756 -7.570 5.963 1.00 43.20 H new ATOM 0 HD22 LEU A 14 3.081 -6.414 6.237 1.00 43.20 H new ATOM 0 HD23 LEU A 14 2.715 -6.973 4.588 1.00 43.20 H new ATOM 221 N GLN A 15 7.562 -8.243 3.086 1.00 33.40 N ATOM 222 CA GLN A 15 8.960 -7.926 2.787 1.00 2.23 C ATOM 223 C GLN A 15 9.116 -6.792 1.765 1.00 20.35 C ATOM 224 O GLN A 15 9.873 -5.857 2.026 1.00 61.01 O ATOM 225 CB GLN A 15 9.678 -9.201 2.286 1.00 61.34 C ATOM 226 CG GLN A 15 11.101 -8.950 1.736 1.00 74.21 C ATOM 227 CD GLN A 15 11.745 -10.169 1.074 1.00 60.41 C ATOM 228 OE1 GLN A 15 12.934 -10.426 1.235 1.00 70.02 O ATOM 229 NE2 GLN A 15 11.001 -10.927 0.285 1.00 43.11 N ATOM 0 H GLN A 15 7.307 -9.214 2.906 1.00 33.40 H new ATOM 0 HA GLN A 15 9.417 -7.571 3.711 1.00 2.23 H new ATOM 0 HB2 GLN A 15 9.738 -9.917 3.106 1.00 61.34 H new ATOM 0 HB3 GLN A 15 9.074 -9.662 1.504 1.00 61.34 H new ATOM 0 HG2 GLN A 15 11.059 -8.137 1.011 1.00 74.21 H new ATOM 0 HG3 GLN A 15 11.740 -8.615 2.553 1.00 74.21 H new ATOM 0 HE21 GLN A 15 10.013 -10.710 0.153 1.00 43.11 H new ATOM 0 HE22 GLN A 15 11.415 -11.728 -0.192 1.00 43.11 H new ATOM 238 N VAL A 16 8.422 -6.839 0.627 1.00 74.45 N ATOM 239 CA VAL A 16 8.580 -5.784 -0.377 1.00 22.22 C ATOM 240 C VAL A 16 8.023 -4.440 0.108 1.00 33.04 C ATOM 241 O VAL A 16 8.576 -3.394 -0.231 1.00 75.13 O ATOM 242 CB VAL A 16 8.042 -6.233 -1.754 1.00 5.40 C ATOM 243 CG1 VAL A 16 8.709 -7.548 -2.199 1.00 45.31 C ATOM 244 CG2 VAL A 16 6.520 -6.415 -1.803 1.00 12.00 C ATOM 0 H VAL A 16 7.761 -7.576 0.380 1.00 74.45 H new ATOM 0 HA VAL A 16 9.646 -5.609 -0.521 1.00 22.22 H new ATOM 0 HB VAL A 16 8.294 -5.420 -2.434 1.00 5.40 H new ATOM 0 HG11 VAL A 16 8.315 -7.845 -3.171 1.00 45.31 H new ATOM 0 HG12 VAL A 16 9.787 -7.402 -2.273 1.00 45.31 H new ATOM 0 HG13 VAL A 16 8.498 -8.329 -1.468 1.00 45.31 H new ATOM 0 HG21 VAL A 16 6.223 -6.731 -2.803 1.00 12.00 H new ATOM 0 HG22 VAL A 16 6.221 -7.173 -1.079 1.00 12.00 H new ATOM 0 HG23 VAL A 16 6.033 -5.470 -1.561 1.00 12.00 H new ATOM 254 N ILE A 17 6.937 -4.454 0.889 1.00 10.01 N ATOM 255 CA ILE A 17 6.328 -3.234 1.412 1.00 41.11 C ATOM 256 C ILE A 17 7.232 -2.657 2.511 1.00 31.41 C ATOM 257 O ILE A 17 7.440 -1.455 2.594 1.00 71.35 O ATOM 258 CB ILE A 17 4.882 -3.475 1.907 1.00 43.10 C ATOM 259 CG1 ILE A 17 4.037 -4.322 0.928 1.00 70.15 C ATOM 260 CG2 ILE A 17 4.177 -2.122 2.116 1.00 51.14 C ATOM 261 CD1 ILE A 17 2.707 -4.763 1.543 1.00 1.14 C ATOM 0 H ILE A 17 6.460 -5.310 1.173 1.00 10.01 H new ATOM 0 HA ILE A 17 6.244 -2.503 0.608 1.00 41.11 H new ATOM 0 HB ILE A 17 4.962 -4.031 2.841 1.00 43.10 H new ATOM 0 HG12 ILE A 17 3.843 -3.744 0.024 1.00 70.15 H new ATOM 0 HG13 ILE A 17 4.606 -5.202 0.628 1.00 70.15 H new ATOM 0 HG21 ILE A 17 3.158 -2.292 2.465 1.00 51.14 H new ATOM 0 HG22 ILE A 17 4.722 -1.539 2.858 1.00 51.14 H new ATOM 0 HG23 ILE A 17 4.151 -1.576 1.173 1.00 51.14 H new ATOM 0 HD11 ILE A 17 2.149 -5.355 0.817 1.00 1.14 H new ATOM 0 HD12 ILE A 17 2.899 -5.365 2.432 1.00 1.14 H new ATOM 0 HD13 ILE A 17 2.124 -3.884 1.819 1.00 1.14 H new ATOM 273 N ASP A 18 7.779 -3.512 3.365 1.00 15.22 N ATOM 274 CA ASP A 18 8.663 -3.144 4.468 1.00 22.25 C ATOM 275 C ASP A 18 9.928 -2.481 3.922 1.00 42.02 C ATOM 276 O ASP A 18 10.447 -1.547 4.536 1.00 63.21 O ATOM 277 CB ASP A 18 8.966 -4.400 5.292 1.00 14.02 C ATOM 278 CG ASP A 18 9.666 -4.125 6.616 1.00 72.33 C ATOM 279 OD1 ASP A 18 9.166 -3.281 7.400 1.00 71.32 O ATOM 280 OD2 ASP A 18 10.585 -4.907 6.950 1.00 51.12 O ATOM 0 H ASP A 18 7.615 -4.517 3.308 1.00 15.22 H new ATOM 0 HA ASP A 18 8.184 -2.416 5.123 1.00 22.25 H new ATOM 0 HB2 ASP A 18 8.031 -4.925 5.490 1.00 14.02 H new ATOM 0 HB3 ASP A 18 9.588 -5.070 4.698 1.00 14.02 H new ATOM 285 N TRP A 19 10.384 -2.927 2.743 1.00 61.33 N ATOM 286 CA TRP A 19 11.556 -2.389 2.074 1.00 64.23 C ATOM 287 C TRP A 19 11.230 -1.000 1.523 1.00 24.52 C ATOM 288 O TRP A 19 11.918 -0.046 1.890 1.00 20.14 O ATOM 289 CB TRP A 19 11.999 -3.341 0.948 1.00 13.12 C ATOM 290 CG TRP A 19 13.013 -2.790 -0.014 1.00 22.45 C ATOM 291 CD1 TRP A 19 12.734 -2.266 -1.231 1.00 24.51 C ATOM 292 CD2 TRP A 19 14.464 -2.686 0.137 1.00 74.15 C ATOM 293 NE1 TRP A 19 13.903 -1.847 -1.836 1.00 73.32 N ATOM 294 CE2 TRP A 19 15.002 -2.111 -1.054 1.00 24.44 C ATOM 295 CE3 TRP A 19 15.381 -3.009 1.159 1.00 51.33 C ATOM 296 CZ2 TRP A 19 16.377 -1.896 -1.238 1.00 72.14 C ATOM 297 CZ3 TRP A 19 16.761 -2.788 0.991 1.00 2.14 C ATOM 298 CH2 TRP A 19 17.262 -2.247 -0.207 1.00 35.02 C ATOM 0 H TRP A 19 9.935 -3.684 2.227 1.00 61.33 H new ATOM 0 HA TRP A 19 12.379 -2.299 2.783 1.00 64.23 H new ATOM 0 HB2 TRP A 19 12.409 -4.243 1.401 1.00 13.12 H new ATOM 0 HB3 TRP A 19 11.116 -3.641 0.383 1.00 13.12 H new ATOM 0 HD1 TRP A 19 11.747 -2.188 -1.663 1.00 24.51 H new ATOM 0 HE1 TRP A 19 13.945 -1.397 -2.750 1.00 73.32 H new ATOM 0 HE3 TRP A 19 15.019 -3.432 2.084 1.00 51.33 H new ATOM 0 HZ2 TRP A 19 16.748 -1.468 -2.158 1.00 72.14 H new ATOM 0 HZ3 TRP A 19 17.443 -3.037 1.791 1.00 2.14 H new ATOM 0 HH2 TRP A 19 18.325 -2.102 -0.333 1.00 35.02 H new ATOM 309 N LEU A 20 10.171 -0.856 0.704 1.00 4.15 N ATOM 310 CA LEU A 20 9.797 0.438 0.122 1.00 24.32 C ATOM 311 C LEU A 20 9.468 1.500 1.172 1.00 30.03 C ATOM 312 O LEU A 20 9.751 2.673 0.931 1.00 11.23 O ATOM 313 CB LEU A 20 8.710 0.305 -0.956 1.00 74.21 C ATOM 314 CG LEU A 20 7.299 -0.074 -0.477 1.00 75.21 C ATOM 315 CD1 LEU A 20 6.411 1.134 -0.168 1.00 11.30 C ATOM 316 CD2 LEU A 20 6.581 -0.944 -1.511 1.00 43.31 C ATOM 0 H LEU A 20 9.560 -1.626 0.432 1.00 4.15 H new ATOM 0 HA LEU A 20 10.688 0.804 -0.388 1.00 24.32 H new ATOM 0 HB2 LEU A 20 8.644 1.253 -1.490 1.00 74.21 H new ATOM 0 HB3 LEU A 20 9.037 -0.445 -1.677 1.00 74.21 H new ATOM 0 HG LEU A 20 7.454 -0.625 0.450 1.00 75.21 H new ATOM 0 HD11 LEU A 20 5.431 0.790 0.164 1.00 11.30 H new ATOM 0 HD12 LEU A 20 6.871 1.732 0.618 1.00 11.30 H new ATOM 0 HD13 LEU A 20 6.297 1.741 -1.066 1.00 11.30 H new ATOM 0 HD21 LEU A 20 5.586 -1.197 -1.146 1.00 43.31 H new ATOM 0 HD22 LEU A 20 6.495 -0.397 -2.450 1.00 43.31 H new ATOM 0 HD23 LEU A 20 7.150 -1.859 -1.675 1.00 43.31 H new ATOM 328 N ILE A 21 8.897 1.101 2.315 1.00 34.12 N ATOM 329 CA ILE A 21 8.537 1.984 3.426 1.00 71.41 C ATOM 330 C ILE A 21 9.792 2.723 3.914 1.00 41.54 C ATOM 331 O ILE A 21 9.761 3.937 4.137 1.00 10.23 O ATOM 332 CB ILE A 21 7.880 1.124 4.548 1.00 41.44 C ATOM 333 CG1 ILE A 21 6.376 0.896 4.258 1.00 11.34 C ATOM 334 CG2 ILE A 21 8.054 1.695 5.969 1.00 51.33 C ATOM 335 CD1 ILE A 21 5.740 -0.216 5.108 1.00 44.55 C ATOM 0 H ILE A 21 8.666 0.124 2.496 1.00 34.12 H new ATOM 0 HA ILE A 21 7.817 2.740 3.113 1.00 71.41 H new ATOM 0 HB ILE A 21 8.415 0.175 4.530 1.00 41.44 H new ATOM 0 HG12 ILE A 21 5.837 1.827 4.433 1.00 11.34 H new ATOM 0 HG13 ILE A 21 6.253 0.650 3.203 1.00 11.34 H new ATOM 0 HG21 ILE A 21 7.568 1.036 6.688 1.00 51.33 H new ATOM 0 HG22 ILE A 21 9.116 1.768 6.204 1.00 51.33 H new ATOM 0 HG23 ILE A 21 7.602 2.685 6.021 1.00 51.33 H new ATOM 0 HD11 ILE A 21 4.686 -0.316 4.847 1.00 44.55 H new ATOM 0 HD12 ILE A 21 6.252 -1.159 4.916 1.00 44.55 H new ATOM 0 HD13 ILE A 21 5.830 0.037 6.164 1.00 44.55 H new ATOM 347 N GLU A 22 10.863 1.959 4.137 1.00 61.40 N ATOM 348 CA GLU A 22 12.152 2.429 4.615 1.00 54.54 C ATOM 349 C GLU A 22 13.045 3.053 3.530 1.00 71.41 C ATOM 350 O GLU A 22 13.853 3.928 3.842 1.00 60.34 O ATOM 351 CB GLU A 22 12.796 1.263 5.369 1.00 63.12 C ATOM 352 CG GLU A 22 14.041 1.662 6.170 1.00 31.13 C ATOM 353 CD GLU A 22 14.384 0.671 7.284 1.00 51.53 C ATOM 354 OE1 GLU A 22 14.432 -0.557 7.048 1.00 41.34 O ATOM 355 OE2 GLU A 22 14.585 1.122 8.440 1.00 12.33 O ATOM 0 H GLU A 22 10.848 0.951 3.980 1.00 61.40 H new ATOM 0 HA GLU A 22 12.010 3.274 5.289 1.00 54.54 H new ATOM 0 HB2 GLU A 22 12.061 0.830 6.048 1.00 63.12 H new ATOM 0 HB3 GLU A 22 13.067 0.485 4.655 1.00 63.12 H new ATOM 0 HG2 GLU A 22 14.890 1.745 5.492 1.00 31.13 H new ATOM 0 HG3 GLU A 22 13.884 2.649 6.606 1.00 31.13 H new ATOM 362 N ASN A 23 12.889 2.639 2.268 1.00 55.13 N ATOM 363 CA ASN A 23 13.667 3.133 1.123 1.00 12.21 C ATOM 364 C ASN A 23 13.379 4.613 0.863 1.00 24.21 C ATOM 365 O ASN A 23 14.309 5.402 0.687 1.00 55.04 O ATOM 366 CB ASN A 23 13.335 2.314 -0.148 1.00 4.44 C ATOM 367 CG ASN A 23 14.483 1.476 -0.699 1.00 2.43 C ATOM 368 OD1 ASN A 23 14.649 1.350 -1.907 1.00 4.24 O ATOM 369 ND2 ASN A 23 15.244 0.814 0.150 1.00 22.31 N ATOM 0 H ASN A 23 12.201 1.933 2.006 1.00 55.13 H new ATOM 0 HA ASN A 23 14.724 3.017 1.363 1.00 12.21 H new ATOM 0 HB2 ASN A 23 12.498 1.653 0.074 1.00 4.44 H new ATOM 0 HB3 ASN A 23 13.001 3.000 -0.926 1.00 4.44 H new ATOM 0 HD21 ASN A 23 15.975 0.193 -0.197 1.00 22.31 H new ATOM 0 HD22 ASN A 23 15.102 0.923 1.154 1.00 22.31 H new ATOM 376 N PHE A 24 12.098 4.997 0.841 1.00 4.42 N ATOM 377 CA PHE A 24 11.658 6.375 0.619 1.00 41.25 C ATOM 378 C PHE A 24 10.846 6.793 1.853 1.00 15.32 C ATOM 379 O PHE A 24 9.607 6.794 1.822 1.00 2.51 O ATOM 380 CB PHE A 24 10.877 6.531 -0.698 1.00 41.55 C ATOM 381 CG PHE A 24 11.635 6.681 -2.008 1.00 24.50 C ATOM 382 CD1 PHE A 24 12.847 7.396 -2.101 1.00 65.41 C ATOM 383 CD2 PHE A 24 11.043 6.186 -3.186 1.00 12.54 C ATOM 384 CE1 PHE A 24 13.477 7.572 -3.346 1.00 42.43 C ATOM 385 CE2 PHE A 24 11.675 6.351 -4.429 1.00 4.33 C ATOM 386 CZ PHE A 24 12.894 7.047 -4.512 1.00 2.13 C ATOM 0 H PHE A 24 11.326 4.346 0.980 1.00 4.42 H new ATOM 0 HA PHE A 24 12.516 7.037 0.503 1.00 41.25 H new ATOM 0 HB2 PHE A 24 10.226 5.662 -0.796 1.00 41.55 H new ATOM 0 HB3 PHE A 24 10.232 7.403 -0.593 1.00 41.55 H new ATOM 0 HD1 PHE A 24 13.294 7.811 -1.210 1.00 65.41 H new ATOM 0 HD2 PHE A 24 10.093 5.674 -3.133 1.00 12.54 H new ATOM 0 HE1 PHE A 24 14.411 8.112 -3.406 1.00 42.43 H new ATOM 0 HE2 PHE A 24 11.225 5.943 -5.322 1.00 4.33 H new ATOM 0 HZ PHE A 24 13.380 7.178 -5.468 1.00 2.13 H new ATOM 396 N PRO A 25 11.519 7.193 2.946 1.00 25.41 N ATOM 397 CA PRO A 25 10.905 7.601 4.204 1.00 12.21 C ATOM 398 C PRO A 25 10.234 8.983 4.157 1.00 63.53 C ATOM 399 O PRO A 25 10.150 9.645 5.193 1.00 61.11 O ATOM 400 CB PRO A 25 12.057 7.544 5.217 1.00 4.23 C ATOM 401 CG PRO A 25 13.279 7.916 4.394 1.00 12.33 C ATOM 402 CD PRO A 25 12.973 7.237 3.072 1.00 34.24 C ATOM 0 HA PRO A 25 10.076 6.944 4.467 1.00 12.21 H new ATOM 0 HB2 PRO A 25 11.901 8.241 6.040 1.00 4.23 H new ATOM 0 HB3 PRO A 25 12.156 6.551 5.655 1.00 4.23 H new ATOM 0 HG2 PRO A 25 13.387 8.995 4.285 1.00 12.33 H new ATOM 0 HG3 PRO A 25 14.202 7.547 4.841 1.00 12.33 H new ATOM 0 HD2 PRO A 25 13.416 7.788 2.243 1.00 34.24 H new ATOM 0 HD3 PRO A 25 13.394 6.232 3.047 1.00 34.24 H new ATOM 410 N ASN A 26 9.759 9.451 2.996 1.00 41.24 N ATOM 411 CA ASN A 26 9.134 10.777 2.925 1.00 35.15 C ATOM 412 C ASN A 26 7.703 10.713 3.444 1.00 73.22 C ATOM 413 O ASN A 26 7.130 11.745 3.789 1.00 34.13 O ATOM 414 CB ASN A 26 9.082 11.306 1.490 1.00 31.21 C ATOM 415 CG ASN A 26 10.399 11.915 1.027 1.00 52.43 C ATOM 416 OD1 ASN A 26 10.582 13.126 1.092 1.00 42.22 O ATOM 417 ND2 ASN A 26 11.357 11.114 0.605 1.00 14.24 N ATOM 0 H ASN A 26 9.794 8.944 2.111 1.00 41.24 H new ATOM 0 HA ASN A 26 9.743 11.444 3.535 1.00 35.15 H new ATOM 0 HB2 ASN A 26 8.810 10.491 0.819 1.00 31.21 H new ATOM 0 HB3 ASN A 26 8.296 12.057 1.415 1.00 31.21 H new ATOM 0 HD21 ASN A 26 12.260 11.500 0.329 1.00 14.24 H new ATOM 0 HD22 ASN A 26 11.195 10.108 0.554 1.00 14.24 H new ATOM 424 N ALA A 27 7.098 9.520 3.466 1.00 72.03 N ATOM 425 CA ALA A 27 5.753 9.280 3.954 1.00 2.11 C ATOM 426 C ALA A 27 5.482 7.783 3.866 1.00 42.22 C ATOM 427 O ALA A 27 5.477 7.271 2.752 1.00 14.21 O ATOM 428 CB ALA A 27 4.801 9.979 2.952 1.00 13.23 C ATOM 0 H ALA A 27 7.555 8.672 3.131 1.00 72.03 H new ATOM 0 HA ALA A 27 5.621 9.639 4.975 1.00 2.11 H new ATOM 0 HB1 ALA A 27 3.768 9.832 3.268 1.00 13.23 H new ATOM 0 HB2 ALA A 27 5.023 11.046 2.922 1.00 13.23 H new ATOM 0 HB3 ALA A 27 4.940 9.552 1.959 1.00 13.23 H new ATOM 434 N PHE A 28 5.231 7.089 4.976 1.00 31.21 N ATOM 435 CA PHE A 28 4.896 5.661 5.051 1.00 33.10 C ATOM 436 C PHE A 28 4.673 5.255 6.511 1.00 42.32 C ATOM 437 O PHE A 28 5.039 6.029 7.393 1.00 50.22 O ATOM 438 CB PHE A 28 5.892 4.749 4.312 1.00 44.21 C ATOM 439 CG PHE A 28 5.359 4.281 2.966 1.00 74.35 C ATOM 440 CD1 PHE A 28 4.111 3.625 2.888 1.00 61.00 C ATOM 441 CD2 PHE A 28 6.057 4.581 1.781 1.00 62.45 C ATOM 442 CE1 PHE A 28 3.550 3.299 1.641 1.00 63.55 C ATOM 443 CE2 PHE A 28 5.482 4.263 0.536 1.00 54.52 C ATOM 444 CZ PHE A 28 4.236 3.622 0.461 1.00 13.12 C ATOM 0 H PHE A 28 5.256 7.528 5.897 1.00 31.21 H new ATOM 0 HA PHE A 28 3.961 5.514 4.510 1.00 33.10 H new ATOM 0 HB2 PHE A 28 6.829 5.285 4.162 1.00 44.21 H new ATOM 0 HB3 PHE A 28 6.116 3.882 4.933 1.00 44.21 H new ATOM 0 HD1 PHE A 28 3.582 3.371 3.795 1.00 61.00 H new ATOM 0 HD2 PHE A 28 7.028 5.052 1.827 1.00 62.45 H new ATOM 0 HE1 PHE A 28 2.593 2.801 1.592 1.00 63.55 H new ATOM 0 HE2 PHE A 28 6.007 4.516 -0.373 1.00 54.52 H new ATOM 0 HZ PHE A 28 3.808 3.379 -0.500 1.00 13.12 H new ATOM 454 N PHE A 29 4.123 4.062 6.780 1.00 42.40 N ATOM 455 CA PHE A 29 3.873 3.533 8.125 1.00 34.33 C ATOM 456 C PHE A 29 3.819 2.002 8.074 1.00 40.45 C ATOM 457 O PHE A 29 3.530 1.461 7.006 1.00 31.12 O ATOM 458 CB PHE A 29 2.546 4.085 8.663 1.00 41.31 C ATOM 459 CG PHE A 29 2.620 5.565 8.982 1.00 65.23 C ATOM 460 CD1 PHE A 29 2.006 6.513 8.138 1.00 64.21 C ATOM 461 CD2 PHE A 29 3.443 5.997 10.040 1.00 21.22 C ATOM 462 CE1 PHE A 29 2.230 7.887 8.344 1.00 13.15 C ATOM 463 CE2 PHE A 29 3.646 7.368 10.258 1.00 5.24 C ATOM 464 CZ PHE A 29 3.049 8.309 9.406 1.00 14.40 C ATOM 0 H PHE A 29 3.831 3.420 6.043 1.00 42.40 H new ATOM 0 HA PHE A 29 4.681 3.841 8.789 1.00 34.33 H new ATOM 0 HB2 PHE A 29 1.760 3.914 7.927 1.00 41.31 H new ATOM 0 HB3 PHE A 29 2.266 3.536 9.562 1.00 41.31 H new ATOM 0 HD1 PHE A 29 1.364 6.185 7.334 1.00 64.21 H new ATOM 0 HD2 PHE A 29 3.918 5.272 10.684 1.00 21.22 H new ATOM 0 HE1 PHE A 29 1.774 8.615 7.689 1.00 13.15 H new ATOM 0 HE2 PHE A 29 4.262 7.699 11.081 1.00 5.24 H new ATOM 0 HZ PHE A 29 3.219 9.363 9.567 1.00 14.40 H new ATOM 474 N LYS A 30 4.005 1.304 9.210 1.00 31.43 N ATOM 475 CA LYS A 30 3.978 -0.172 9.279 1.00 24.03 C ATOM 476 C LYS A 30 2.893 -0.711 10.212 1.00 23.31 C ATOM 477 O LYS A 30 2.197 -1.669 9.875 1.00 31.32 O ATOM 478 CB LYS A 30 5.318 -0.762 9.776 1.00 4.33 C ATOM 479 CG LYS A 30 6.544 -0.348 8.956 1.00 75.32 C ATOM 480 CD LYS A 30 7.723 0.156 9.810 1.00 14.10 C ATOM 481 CE LYS A 30 8.630 -0.961 10.353 1.00 42.12 C ATOM 482 NZ LYS A 30 9.843 -0.420 11.018 1.00 51.32 N ATOM 0 H LYS A 30 4.179 1.749 10.111 1.00 31.43 H new ATOM 0 HA LYS A 30 3.775 -0.479 8.253 1.00 24.03 H new ATOM 0 HB2 LYS A 30 5.471 -0.458 10.812 1.00 4.33 H new ATOM 0 HB3 LYS A 30 5.245 -1.850 9.770 1.00 4.33 H new ATOM 0 HG2 LYS A 30 6.876 -1.199 8.362 1.00 75.32 H new ATOM 0 HG3 LYS A 30 6.254 0.436 8.256 1.00 75.32 H new ATOM 0 HD2 LYS A 30 8.325 0.839 9.211 1.00 14.10 H new ATOM 0 HD3 LYS A 30 7.330 0.730 10.649 1.00 14.10 H new ATOM 0 HE2 LYS A 30 8.069 -1.570 11.062 1.00 42.12 H new ATOM 0 HE3 LYS A 30 8.927 -1.616 9.534 1.00 42.12 H new ATOM 0 HZ1 LYS A 30 10.426 -1.206 11.369 1.00 51.32 H new ATOM 0 HZ2 LYS A 30 10.392 0.141 10.336 1.00 51.32 H new ATOM 0 HZ3 LYS A 30 9.561 0.185 11.816 1.00 51.32 H new ATOM 496 N LYS A 31 2.682 -0.088 11.378 1.00 51.43 N ATOM 497 CA LYS A 31 1.714 -0.553 12.368 1.00 31.41 C ATOM 498 C LYS A 31 0.251 -0.629 11.937 1.00 5.45 C ATOM 499 O LYS A 31 -0.520 -1.282 12.638 1.00 4.15 O ATOM 500 CB LYS A 31 1.870 0.248 13.678 1.00 63.41 C ATOM 501 CG LYS A 31 2.139 -0.672 14.881 1.00 55.04 C ATOM 502 CD LYS A 31 3.539 -1.309 14.840 1.00 45.31 C ATOM 503 CE LYS A 31 3.564 -2.578 15.695 1.00 34.22 C ATOM 504 NZ LYS A 31 4.854 -3.294 15.622 1.00 42.20 N ATOM 0 H LYS A 31 3.182 0.756 11.658 1.00 51.43 H new ATOM 0 HA LYS A 31 1.973 -1.601 12.516 1.00 31.41 H new ATOM 0 HB2 LYS A 31 2.689 0.959 13.574 1.00 63.41 H new ATOM 0 HB3 LYS A 31 0.965 0.828 13.859 1.00 63.41 H new ATOM 0 HG2 LYS A 31 2.032 -0.099 15.802 1.00 55.04 H new ATOM 0 HG3 LYS A 31 1.386 -1.460 14.906 1.00 55.04 H new ATOM 0 HD2 LYS A 31 3.808 -1.549 13.811 1.00 45.31 H new ATOM 0 HD3 LYS A 31 4.281 -0.599 15.206 1.00 45.31 H new ATOM 0 HE2 LYS A 31 3.358 -2.315 16.733 1.00 34.22 H new ATOM 0 HE3 LYS A 31 2.765 -3.245 15.370 1.00 34.22 H new ATOM 0 HZ1 LYS A 31 4.813 -4.144 16.220 1.00 42.20 H new ATOM 0 HZ2 LYS A 31 5.042 -3.572 14.637 1.00 42.20 H new ATOM 0 HZ3 LYS A 31 5.616 -2.671 15.957 1.00 42.20 H new ATOM 518 N GLY A 32 -0.177 -0.001 10.842 1.00 5.45 N ATOM 519 CA GLY A 32 -1.580 -0.061 10.438 1.00 62.13 C ATOM 520 C GLY A 32 -2.386 0.976 11.212 1.00 50.41 C ATOM 521 O GLY A 32 -3.012 1.828 10.601 1.00 1.30 O ATOM 0 H GLY A 32 0.421 0.549 10.225 1.00 5.45 H new ATOM 0 HA2 GLY A 32 -1.668 0.122 9.367 1.00 62.13 H new ATOM 0 HA3 GLY A 32 -1.979 -1.058 10.624 1.00 62.13 H new ATOM 525 N ASN A 33 -2.286 1.006 12.543 1.00 3.14 N ATOM 526 CA ASN A 33 -3.001 1.952 13.407 1.00 71.54 C ATOM 527 C ASN A 33 -2.745 3.419 13.053 1.00 44.11 C ATOM 528 O ASN A 33 -3.546 4.284 13.392 1.00 30.31 O ATOM 529 CB ASN A 33 -2.680 1.695 14.891 1.00 21.41 C ATOM 530 CG ASN A 33 -1.210 1.711 15.312 1.00 22.05 C ATOM 531 OD1 ASN A 33 -0.397 2.687 14.938 1.00 12.11 O flip ATOM 532 ND2 ASN A 33 -0.764 0.804 16.001 1.00 4.24 N flip ATOM 0 H ASN A 33 -1.693 0.359 13.063 1.00 3.14 H new ATOM 0 HA ASN A 33 -4.061 1.772 13.231 1.00 71.54 H new ATOM 0 HB2 ASN A 33 -3.207 2.444 15.483 1.00 21.41 H new ATOM 0 HB3 ASN A 33 -3.096 0.724 15.161 1.00 21.41 H new ATOM 0 HD21 ASN A 33 -1.374 0.043 16.299 1.00 4.24 H new ATOM 0 HD22 ASN A 33 0.218 0.809 16.277 1.00 4.24 H new ATOM 539 N GLN A 34 -1.603 3.719 12.428 1.00 31.44 N ATOM 540 CA GLN A 34 -1.202 5.057 12.006 1.00 60.13 C ATOM 541 C GLN A 34 -1.098 5.171 10.476 1.00 74.51 C ATOM 542 O GLN A 34 -0.585 6.173 9.982 1.00 25.23 O ATOM 543 CB GLN A 34 0.087 5.472 12.746 1.00 64.32 C ATOM 544 CG GLN A 34 1.271 4.536 12.447 1.00 24.34 C ATOM 545 CD GLN A 34 2.593 4.897 13.128 1.00 71.51 C ATOM 546 OE1 GLN A 34 3.399 4.011 13.391 1.00 12.20 O ATOM 547 NE2 GLN A 34 2.912 6.159 13.355 1.00 35.43 N ATOM 0 H GLN A 34 -0.909 3.008 12.195 1.00 31.44 H new ATOM 0 HA GLN A 34 -1.980 5.768 12.286 1.00 60.13 H new ATOM 0 HB2 GLN A 34 0.353 6.490 12.461 1.00 64.32 H new ATOM 0 HB3 GLN A 34 -0.102 5.481 13.819 1.00 64.32 H new ATOM 0 HG2 GLN A 34 0.995 3.525 12.745 1.00 24.34 H new ATOM 0 HG3 GLN A 34 1.432 4.518 11.369 1.00 24.34 H new ATOM 0 HE21 GLN A 34 2.246 6.900 13.138 1.00 35.43 H new ATOM 0 HE22 GLN A 34 3.824 6.392 13.747 1.00 35.43 H new ATOM 556 N VAL A 35 -1.485 4.136 9.721 1.00 51.25 N ATOM 557 CA VAL A 35 -1.405 4.152 8.260 1.00 14.04 C ATOM 558 C VAL A 35 -2.351 5.212 7.685 1.00 71.24 C ATOM 559 O VAL A 35 -3.412 5.480 8.252 1.00 52.44 O ATOM 560 CB VAL A 35 -1.660 2.724 7.727 1.00 41.42 C ATOM 561 CG1 VAL A 35 -3.142 2.359 7.567 1.00 44.43 C ATOM 562 CG2 VAL A 35 -0.956 2.469 6.394 1.00 41.41 C ATOM 0 H VAL A 35 -1.860 3.269 10.106 1.00 51.25 H new ATOM 0 HA VAL A 35 -0.408 4.442 7.928 1.00 14.04 H new ATOM 0 HB VAL A 35 -1.241 2.085 8.504 1.00 41.42 H new ATOM 0 HG11 VAL A 35 -3.227 1.340 7.188 1.00 44.43 H new ATOM 0 HG12 VAL A 35 -3.641 2.430 8.534 1.00 44.43 H new ATOM 0 HG13 VAL A 35 -3.613 3.047 6.865 1.00 44.43 H new ATOM 0 HG21 VAL A 35 -1.165 1.453 6.061 1.00 41.41 H new ATOM 0 HG22 VAL A 35 -1.319 3.177 5.649 1.00 41.41 H new ATOM 0 HG23 VAL A 35 0.119 2.595 6.520 1.00 41.41 H new ATOM 572 N LYS A 36 -1.986 5.811 6.548 1.00 73.31 N ATOM 573 CA LYS A 36 -2.783 6.839 5.869 1.00 52.12 C ATOM 574 C LYS A 36 -2.739 6.599 4.355 1.00 54.00 C ATOM 575 O LYS A 36 -1.951 5.749 3.916 1.00 42.33 O ATOM 576 CB LYS A 36 -2.326 8.243 6.344 1.00 33.31 C ATOM 577 CG LYS A 36 -1.381 9.070 5.461 1.00 12.52 C ATOM 578 CD LYS A 36 -0.057 8.374 5.118 1.00 0.42 C ATOM 579 CE LYS A 36 0.942 9.338 4.474 1.00 33.24 C ATOM 580 NZ LYS A 36 0.366 10.064 3.327 1.00 11.35 N ATOM 0 H LYS A 36 -1.115 5.592 6.065 1.00 73.31 H new ATOM 0 HA LYS A 36 -3.838 6.780 6.135 1.00 52.12 H new ATOM 0 HB2 LYS A 36 -3.223 8.839 6.510 1.00 33.31 H new ATOM 0 HB3 LYS A 36 -1.842 8.118 7.313 1.00 33.31 H new ATOM 0 HG2 LYS A 36 -1.896 9.319 4.534 1.00 12.52 H new ATOM 0 HG3 LYS A 36 -1.162 10.010 5.967 1.00 12.52 H new ATOM 0 HD2 LYS A 36 0.377 7.952 6.024 1.00 0.42 H new ATOM 0 HD3 LYS A 36 -0.249 7.542 4.440 1.00 0.42 H new ATOM 0 HE2 LYS A 36 1.282 10.056 5.220 1.00 33.24 H new ATOM 0 HE3 LYS A 36 1.819 8.781 4.144 1.00 33.24 H new ATOM 0 HZ1 LYS A 36 1.023 10.018 2.522 1.00 11.35 H new ATOM 0 HZ2 LYS A 36 -0.540 9.628 3.060 1.00 11.35 H new ATOM 0 HZ3 LYS A 36 0.208 11.058 3.589 1.00 11.35 H new ATOM 594 N PRO A 37 -3.558 7.272 3.532 1.00 44.03 N ATOM 595 CA PRO A 37 -3.529 7.073 2.089 1.00 31.51 C ATOM 596 C PRO A 37 -2.300 7.697 1.414 1.00 32.21 C ATOM 597 O PRO A 37 -1.724 8.682 1.887 1.00 31.15 O ATOM 598 CB PRO A 37 -4.834 7.689 1.582 1.00 42.32 C ATOM 599 CG PRO A 37 -5.129 8.795 2.588 1.00 60.24 C ATOM 600 CD PRO A 37 -4.552 8.273 3.900 1.00 4.32 C ATOM 0 HA PRO A 37 -3.448 6.014 1.844 1.00 31.51 H new ATOM 0 HB2 PRO A 37 -4.724 8.085 0.573 1.00 42.32 H new ATOM 0 HB3 PRO A 37 -5.638 6.953 1.549 1.00 42.32 H new ATOM 0 HG2 PRO A 37 -4.662 9.735 2.294 1.00 60.24 H new ATOM 0 HG3 PRO A 37 -6.200 8.983 2.671 1.00 60.24 H new ATOM 0 HD2 PRO A 37 -4.098 9.080 4.475 1.00 4.32 H new ATOM 0 HD3 PRO A 37 -5.333 7.837 4.523 1.00 4.32 H new ATOM 608 N LEU A 38 -1.942 7.126 0.262 1.00 5.42 N ATOM 609 CA LEU A 38 -0.821 7.527 -0.599 1.00 55.21 C ATOM 610 C LEU A 38 -1.320 7.837 -2.017 1.00 34.43 C ATOM 611 O LEU A 38 -2.404 7.374 -2.385 1.00 15.43 O ATOM 612 CB LEU A 38 0.212 6.398 -0.725 1.00 40.30 C ATOM 613 CG LEU A 38 0.912 5.874 0.535 1.00 45.20 C ATOM 614 CD1 LEU A 38 1.433 6.986 1.441 1.00 70.24 C ATOM 615 CD2 LEU A 38 0.067 4.894 1.337 1.00 63.45 C ATOM 0 H LEU A 38 -2.452 6.329 -0.118 1.00 5.42 H new ATOM 0 HA LEU A 38 -0.368 8.406 -0.141 1.00 55.21 H new ATOM 0 HB2 LEU A 38 -0.285 5.552 -1.199 1.00 40.30 H new ATOM 0 HB3 LEU A 38 0.987 6.739 -1.412 1.00 40.30 H new ATOM 0 HG LEU A 38 1.773 5.326 0.151 1.00 45.20 H new ATOM 0 HD11 LEU A 38 1.917 6.548 2.314 1.00 70.24 H new ATOM 0 HD12 LEU A 38 2.153 7.594 0.894 1.00 70.24 H new ATOM 0 HD13 LEU A 38 0.601 7.612 1.764 1.00 70.24 H new ATOM 0 HD21 LEU A 38 0.625 4.565 2.214 1.00 63.45 H new ATOM 0 HD22 LEU A 38 -0.854 5.383 1.655 1.00 63.45 H new ATOM 0 HD23 LEU A 38 -0.176 4.031 0.717 1.00 63.45 H new ATOM 627 N LYS A 39 -0.511 8.543 -2.821 1.00 40.54 N ATOM 628 CA LYS A 39 -0.823 8.928 -4.205 1.00 24.42 C ATOM 629 C LYS A 39 -1.311 7.747 -5.039 1.00 41.01 C ATOM 630 O LYS A 39 -0.913 6.590 -4.867 1.00 63.03 O ATOM 631 CB LYS A 39 0.399 9.629 -4.854 1.00 41.21 C ATOM 632 CG LYS A 39 0.383 9.871 -6.394 1.00 13.12 C ATOM 633 CD LYS A 39 1.302 8.888 -7.137 1.00 15.23 C ATOM 634 CE LYS A 39 1.447 9.182 -8.639 1.00 62.15 C ATOM 635 NZ LYS A 39 2.575 10.085 -8.961 1.00 71.04 N ATOM 0 H LYS A 39 0.406 8.871 -2.517 1.00 40.54 H new ATOM 0 HA LYS A 39 -1.650 9.638 -4.176 1.00 24.42 H new ATOM 0 HB2 LYS A 39 0.524 10.596 -4.367 1.00 41.21 H new ATOM 0 HB3 LYS A 39 1.284 9.037 -4.620 1.00 41.21 H new ATOM 0 HG2 LYS A 39 -0.636 9.769 -6.767 1.00 13.12 H new ATOM 0 HG3 LYS A 39 0.698 10.893 -6.604 1.00 13.12 H new ATOM 0 HD2 LYS A 39 2.289 8.910 -6.676 1.00 15.23 H new ATOM 0 HD3 LYS A 39 0.914 7.877 -7.011 1.00 15.23 H new ATOM 0 HE2 LYS A 39 1.582 8.241 -9.173 1.00 62.15 H new ATOM 0 HE3 LYS A 39 0.521 9.626 -9.005 1.00 62.15 H new ATOM 0 HZ1 LYS A 39 2.918 9.883 -9.922 1.00 71.04 H new ATOM 0 HZ2 LYS A 39 2.255 11.073 -8.909 1.00 71.04 H new ATOM 0 HZ3 LYS A 39 3.346 9.935 -8.279 1.00 71.04 H new ATOM 649 N ILE A 40 -2.220 8.075 -5.944 1.00 13.20 N ATOM 650 CA ILE A 40 -2.846 7.191 -6.901 1.00 42.02 C ATOM 651 C ILE A 40 -1.714 6.674 -7.790 1.00 11.44 C ATOM 652 O ILE A 40 -1.112 7.449 -8.536 1.00 61.30 O ATOM 653 CB ILE A 40 -3.907 8.006 -7.680 1.00 64.13 C ATOM 654 CG1 ILE A 40 -5.189 8.258 -6.858 1.00 44.12 C ATOM 655 CG2 ILE A 40 -4.244 7.419 -9.051 1.00 62.33 C ATOM 656 CD1 ILE A 40 -6.055 7.020 -6.575 1.00 10.52 C ATOM 0 H ILE A 40 -2.560 9.033 -6.031 1.00 13.20 H new ATOM 0 HA ILE A 40 -3.363 6.343 -6.453 1.00 42.02 H new ATOM 0 HB ILE A 40 -3.434 8.972 -7.860 1.00 64.13 H new ATOM 0 HG12 ILE A 40 -4.905 8.705 -5.905 1.00 44.12 H new ATOM 0 HG13 ILE A 40 -5.798 8.992 -7.386 1.00 44.12 H new ATOM 0 HG21 ILE A 40 -4.994 8.042 -9.539 1.00 62.33 H new ATOM 0 HG22 ILE A 40 -3.344 7.387 -9.664 1.00 62.33 H new ATOM 0 HG23 ILE A 40 -4.635 6.409 -8.928 1.00 62.33 H new ATOM 0 HD11 ILE A 40 -6.928 7.312 -5.992 1.00 10.52 H new ATOM 0 HD12 ILE A 40 -6.379 6.580 -7.518 1.00 10.52 H new ATOM 0 HD13 ILE A 40 -5.472 6.289 -6.014 1.00 10.52 H new ATOM 668 N GLY A 41 -1.417 5.377 -7.704 1.00 51.05 N ATOM 669 CA GLY A 41 -0.367 4.782 -8.513 1.00 12.00 C ATOM 670 C GLY A 41 1.031 4.936 -7.931 1.00 54.12 C ATOM 671 O GLY A 41 1.978 4.792 -8.687 1.00 14.25 O ATOM 0 H GLY A 41 -1.892 4.723 -7.081 1.00 51.05 H new ATOM 0 HA2 GLY A 41 -0.580 3.721 -8.642 1.00 12.00 H new ATOM 0 HA3 GLY A 41 -0.388 5.234 -9.505 1.00 12.00 H new ATOM 675 N ILE A 42 1.192 5.153 -6.621 1.00 73.40 N ATOM 676 CA ILE A 42 2.487 5.315 -5.956 1.00 2.13 C ATOM 677 C ILE A 42 3.475 4.185 -6.305 1.00 32.40 C ATOM 678 O ILE A 42 4.680 4.419 -6.329 1.00 24.15 O ATOM 679 CB ILE A 42 2.269 5.511 -4.433 1.00 34.33 C ATOM 680 CG1 ILE A 42 3.627 5.617 -3.703 1.00 52.32 C ATOM 681 CG2 ILE A 42 1.435 4.382 -3.790 1.00 1.45 C ATOM 682 CD1 ILE A 42 3.575 6.343 -2.358 1.00 5.55 C ATOM 0 H ILE A 42 0.403 5.222 -5.978 1.00 73.40 H new ATOM 0 HA ILE A 42 2.969 6.216 -6.335 1.00 2.13 H new ATOM 0 HB ILE A 42 1.706 6.438 -4.324 1.00 34.33 H new ATOM 0 HG12 ILE A 42 4.017 4.612 -3.543 1.00 52.32 H new ATOM 0 HG13 ILE A 42 4.334 6.134 -4.352 1.00 52.32 H new ATOM 0 HG21 ILE A 42 1.318 4.578 -2.724 1.00 1.45 H new ATOM 0 HG22 ILE A 42 0.453 4.342 -4.261 1.00 1.45 H new ATOM 0 HG23 ILE A 42 1.944 3.428 -3.930 1.00 1.45 H new ATOM 0 HD11 ILE A 42 4.573 6.369 -1.920 1.00 5.55 H new ATOM 0 HD12 ILE A 42 3.218 7.362 -2.508 1.00 5.55 H new ATOM 0 HD13 ILE A 42 2.897 5.816 -1.686 1.00 5.55 H new ATOM 694 N PHE A 43 2.985 2.973 -6.596 1.00 62.34 N ATOM 695 CA PHE A 43 3.835 1.851 -6.968 1.00 43.25 C ATOM 696 C PHE A 43 4.660 2.213 -8.205 1.00 42.13 C ATOM 697 O PHE A 43 5.805 1.803 -8.294 1.00 13.01 O ATOM 698 CB PHE A 43 2.971 0.603 -7.268 1.00 74.40 C ATOM 699 CG PHE A 43 3.497 -0.279 -8.399 1.00 60.53 C ATOM 700 CD1 PHE A 43 3.157 0.017 -9.735 1.00 22.35 C ATOM 701 CD2 PHE A 43 4.399 -1.327 -8.140 1.00 14.13 C ATOM 702 CE1 PHE A 43 3.745 -0.695 -10.794 1.00 70.33 C ATOM 703 CE2 PHE A 43 4.982 -2.047 -9.198 1.00 22.14 C ATOM 704 CZ PHE A 43 4.656 -1.730 -10.528 1.00 4.04 C ATOM 0 H PHE A 43 1.990 2.750 -6.578 1.00 62.34 H new ATOM 0 HA PHE A 43 4.505 1.628 -6.138 1.00 43.25 H new ATOM 0 HB2 PHE A 43 2.897 0.002 -6.361 1.00 74.40 H new ATOM 0 HB3 PHE A 43 1.961 0.928 -7.518 1.00 74.40 H new ATOM 0 HD1 PHE A 43 2.440 0.796 -9.946 1.00 22.35 H new ATOM 0 HD2 PHE A 43 4.646 -1.581 -7.120 1.00 14.13 H new ATOM 0 HE1 PHE A 43 3.496 -0.446 -11.815 1.00 70.33 H new ATOM 0 HE2 PHE A 43 5.680 -2.844 -8.989 1.00 22.14 H new ATOM 0 HZ PHE A 43 5.104 -2.280 -11.342 1.00 4.04 H new ATOM 714 N ASP A 44 4.071 2.928 -9.164 1.00 25.40 N ATOM 715 CA ASP A 44 4.707 3.316 -10.420 1.00 23.51 C ATOM 716 C ASP A 44 5.865 4.283 -10.220 1.00 62.24 C ATOM 717 O ASP A 44 6.788 4.333 -11.029 1.00 63.43 O ATOM 718 CB ASP A 44 3.632 3.948 -11.299 1.00 62.02 C ATOM 719 CG ASP A 44 4.128 4.274 -12.701 1.00 43.02 C ATOM 720 OD1 ASP A 44 4.153 3.334 -13.534 1.00 32.25 O ATOM 721 OD2 ASP A 44 4.390 5.469 -12.976 1.00 25.42 O ATOM 0 H ASP A 44 3.111 3.262 -9.085 1.00 25.40 H new ATOM 0 HA ASP A 44 5.135 2.430 -10.889 1.00 23.51 H new ATOM 0 HB2 ASP A 44 2.782 3.269 -11.369 1.00 62.02 H new ATOM 0 HB3 ASP A 44 3.273 4.861 -10.825 1.00 62.02 H new ATOM 726 N ASP A 45 5.790 5.093 -9.171 1.00 52.33 N ATOM 727 CA ASP A 45 6.820 6.061 -8.834 1.00 30.45 C ATOM 728 C ASP A 45 8.000 5.360 -8.147 1.00 63.12 C ATOM 729 O ASP A 45 9.166 5.646 -8.413 1.00 31.44 O ATOM 730 CB ASP A 45 6.229 7.110 -7.884 1.00 42.12 C ATOM 731 CG ASP A 45 5.297 8.138 -8.521 1.00 15.11 C ATOM 732 OD1 ASP A 45 4.675 8.886 -7.734 1.00 62.25 O ATOM 733 OD2 ASP A 45 5.089 8.176 -9.754 1.00 72.35 O ATOM 0 H ASP A 45 5.001 5.094 -8.524 1.00 52.33 H new ATOM 0 HA ASP A 45 7.175 6.540 -9.746 1.00 30.45 H new ATOM 0 HB2 ASP A 45 5.682 6.591 -7.096 1.00 42.12 H new ATOM 0 HB3 ASP A 45 7.051 7.642 -7.404 1.00 42.12 H new ATOM 738 N LEU A 46 7.687 4.461 -7.212 1.00 62.33 N ATOM 739 CA LEU A 46 8.612 3.680 -6.393 1.00 52.44 C ATOM 740 C LEU A 46 9.252 2.521 -7.136 1.00 22.31 C ATOM 741 O LEU A 46 10.407 2.201 -6.864 1.00 63.03 O ATOM 742 CB LEU A 46 7.828 3.173 -5.168 1.00 44.45 C ATOM 743 CG LEU A 46 8.488 2.145 -4.218 1.00 55.42 C ATOM 744 CD1 LEU A 46 8.511 0.708 -4.758 1.00 75.43 C ATOM 745 CD2 LEU A 46 9.880 2.539 -3.701 1.00 54.54 C ATOM 0 H LEU A 46 6.714 4.246 -6.993 1.00 62.33 H new ATOM 0 HA LEU A 46 9.442 4.323 -6.100 1.00 52.44 H new ATOM 0 HB2 LEU A 46 7.556 4.043 -4.571 1.00 44.45 H new ATOM 0 HB3 LEU A 46 6.900 2.733 -5.532 1.00 44.45 H new ATOM 0 HG LEU A 46 7.814 2.166 -3.361 1.00 55.42 H new ATOM 0 HD11 LEU A 46 8.990 0.053 -4.030 1.00 75.43 H new ATOM 0 HD12 LEU A 46 7.490 0.369 -4.934 1.00 75.43 H new ATOM 0 HD13 LEU A 46 9.069 0.680 -5.694 1.00 75.43 H new ATOM 0 HD21 LEU A 46 10.259 1.756 -3.044 1.00 54.54 H new ATOM 0 HD22 LEU A 46 10.559 2.665 -4.544 1.00 54.54 H new ATOM 0 HD23 LEU A 46 9.811 3.476 -3.148 1.00 54.54 H new ATOM 757 N ILE A 47 8.557 1.887 -8.083 1.00 74.24 N ATOM 758 CA ILE A 47 9.124 0.748 -8.801 1.00 75.33 C ATOM 759 C ILE A 47 10.434 1.152 -9.463 1.00 64.11 C ATOM 760 O ILE A 47 11.331 0.325 -9.581 1.00 72.13 O ATOM 761 CB ILE A 47 8.111 0.134 -9.793 1.00 51.03 C ATOM 762 CG1 ILE A 47 8.453 -1.331 -10.136 1.00 34.40 C ATOM 763 CG2 ILE A 47 7.911 1.022 -11.035 1.00 23.42 C ATOM 764 CD1 ILE A 47 9.324 -1.537 -11.371 1.00 14.22 C ATOM 0 H ILE A 47 7.611 2.141 -8.367 1.00 74.24 H new ATOM 0 HA ILE A 47 9.348 -0.043 -8.086 1.00 75.33 H new ATOM 0 HB ILE A 47 7.143 0.102 -9.292 1.00 51.03 H new ATOM 0 HG12 ILE A 47 8.959 -1.776 -9.279 1.00 34.40 H new ATOM 0 HG13 ILE A 47 7.521 -1.879 -10.276 1.00 34.40 H new ATOM 0 HG21 ILE A 47 7.191 0.553 -11.706 1.00 23.42 H new ATOM 0 HG22 ILE A 47 7.537 1.999 -10.728 1.00 23.42 H new ATOM 0 HG23 ILE A 47 8.863 1.144 -11.552 1.00 23.42 H new ATOM 0 HD11 ILE A 47 9.501 -2.602 -11.518 1.00 14.22 H new ATOM 0 HD12 ILE A 47 8.817 -1.130 -12.246 1.00 14.22 H new ATOM 0 HD13 ILE A 47 10.277 -1.026 -11.233 1.00 14.22 H new ATOM 776 N ASP A 48 10.570 2.428 -9.823 1.00 50.22 N ATOM 777 CA ASP A 48 11.767 2.949 -10.456 1.00 5.50 C ATOM 778 C ASP A 48 12.987 2.673 -9.570 1.00 14.24 C ATOM 779 O ASP A 48 14.032 2.227 -10.031 1.00 62.22 O ATOM 780 CB ASP A 48 11.597 4.453 -10.639 1.00 14.31 C ATOM 781 CG ASP A 48 12.785 5.076 -11.361 1.00 21.21 C ATOM 782 OD1 ASP A 48 13.401 6.017 -10.818 1.00 63.54 O ATOM 783 OD2 ASP A 48 13.151 4.624 -12.470 1.00 42.44 O ATOM 0 H ASP A 48 9.843 3.129 -9.680 1.00 50.22 H new ATOM 0 HA ASP A 48 11.919 2.466 -11.421 1.00 5.50 H new ATOM 0 HB2 ASP A 48 10.686 4.649 -11.204 1.00 14.31 H new ATOM 0 HB3 ASP A 48 11.476 4.926 -9.664 1.00 14.31 H new ATOM 788 N PHE A 49 12.819 2.910 -8.268 1.00 71.44 N ATOM 789 CA PHE A 49 13.841 2.692 -7.248 1.00 33.04 C ATOM 790 C PHE A 49 14.147 1.187 -7.135 1.00 31.24 C ATOM 791 O PHE A 49 15.284 0.805 -6.865 1.00 23.13 O ATOM 792 CB PHE A 49 13.390 3.296 -5.908 1.00 65.25 C ATOM 793 CG PHE A 49 14.452 3.562 -4.846 1.00 44.32 C ATOM 794 CD1 PHE A 49 14.042 4.107 -3.615 1.00 22.30 C ATOM 795 CD2 PHE A 49 15.827 3.316 -5.052 1.00 44.21 C ATOM 796 CE1 PHE A 49 14.984 4.419 -2.621 1.00 62.51 C ATOM 797 CE2 PHE A 49 16.761 3.572 -4.033 1.00 63.44 C ATOM 798 CZ PHE A 49 16.344 4.136 -2.819 1.00 34.44 C ATOM 0 H PHE A 49 11.944 3.269 -7.886 1.00 71.44 H new ATOM 0 HA PHE A 49 14.763 3.197 -7.534 1.00 33.04 H new ATOM 0 HB2 PHE A 49 12.887 4.239 -6.120 1.00 65.25 H new ATOM 0 HB3 PHE A 49 12.645 2.628 -5.475 1.00 65.25 H new ATOM 0 HD1 PHE A 49 12.993 4.287 -3.433 1.00 22.30 H new ATOM 0 HD2 PHE A 49 16.164 2.927 -6.002 1.00 44.21 H new ATOM 0 HE1 PHE A 49 14.660 4.879 -1.699 1.00 62.51 H new ATOM 0 HE2 PHE A 49 17.803 3.333 -4.186 1.00 63.44 H new ATOM 0 HZ PHE A 49 17.064 4.351 -2.043 1.00 34.44 H new ATOM 808 N TYR A 50 13.154 0.308 -7.314 1.00 12.20 N ATOM 809 CA TYR A 50 13.335 -1.145 -7.280 1.00 75.22 C ATOM 810 C TYR A 50 14.239 -1.553 -8.456 1.00 51.23 C ATOM 811 O TYR A 50 14.919 -2.568 -8.398 1.00 41.44 O ATOM 812 CB TYR A 50 11.987 -1.901 -7.264 1.00 44.50 C ATOM 813 CG TYR A 50 11.937 -3.188 -8.080 1.00 42.32 C ATOM 814 CD1 TYR A 50 12.011 -4.454 -7.465 1.00 2.32 C ATOM 815 CD2 TYR A 50 11.824 -3.111 -9.481 1.00 31.31 C ATOM 816 CE1 TYR A 50 11.953 -5.626 -8.246 1.00 23.14 C ATOM 817 CE2 TYR A 50 11.821 -4.272 -10.270 1.00 3.10 C ATOM 818 CZ TYR A 50 11.872 -5.541 -9.655 1.00 41.44 C ATOM 819 OH TYR A 50 11.810 -6.667 -10.419 1.00 10.24 O ATOM 0 H TYR A 50 12.190 0.591 -7.489 1.00 12.20 H new ATOM 0 HA TYR A 50 13.824 -1.430 -6.348 1.00 75.22 H new ATOM 0 HB2 TYR A 50 11.738 -2.139 -6.230 1.00 44.50 H new ATOM 0 HB3 TYR A 50 11.211 -1.230 -7.632 1.00 44.50 H new ATOM 0 HD1 TYR A 50 12.112 -4.526 -6.392 1.00 2.32 H new ATOM 0 HD2 TYR A 50 11.738 -2.145 -9.956 1.00 31.31 H new ATOM 0 HE1 TYR A 50 11.971 -6.593 -7.766 1.00 23.14 H new ATOM 0 HE2 TYR A 50 11.780 -4.194 -11.346 1.00 3.10 H new ATOM 0 HH TYR A 50 11.750 -7.454 -9.838 1.00 10.24 H new ATOM 829 N GLU A 51 14.220 -0.816 -9.564 1.00 11.33 N ATOM 830 CA GLU A 51 15.058 -1.136 -10.718 1.00 51.22 C ATOM 831 C GLU A 51 16.530 -0.810 -10.438 1.00 21.23 C ATOM 832 O GLU A 51 17.398 -1.216 -11.217 1.00 71.45 O ATOM 833 CB GLU A 51 14.541 -0.451 -11.990 1.00 43.53 C ATOM 834 CG GLU A 51 13.118 -0.923 -12.308 1.00 33.24 C ATOM 835 CD GLU A 51 12.618 -0.494 -13.679 1.00 42.00 C ATOM 836 OE1 GLU A 51 11.800 -1.245 -14.259 1.00 64.25 O ATOM 837 OE2 GLU A 51 13.058 0.538 -14.228 1.00 63.32 O ATOM 0 H GLU A 51 13.632 0.009 -9.688 1.00 11.33 H new ATOM 0 HA GLU A 51 14.997 -2.210 -10.893 1.00 51.22 H new ATOM 0 HB2 GLU A 51 14.552 0.631 -11.858 1.00 43.53 H new ATOM 0 HB3 GLU A 51 15.202 -0.677 -12.827 1.00 43.53 H new ATOM 0 HG2 GLU A 51 13.084 -2.011 -12.244 1.00 33.24 H new ATOM 0 HG3 GLU A 51 12.439 -0.537 -11.547 1.00 33.24 H new ATOM 844 N ARG A 52 16.817 -0.063 -9.358 1.00 3.52 N ATOM 845 CA ARG A 52 18.177 0.288 -8.953 1.00 3.31 C ATOM 846 C ARG A 52 18.810 -0.890 -8.218 1.00 20.51 C ATOM 847 O ARG A 52 20.036 -0.963 -8.134 1.00 53.42 O ATOM 848 CB ARG A 52 18.223 1.512 -8.026 1.00 13.41 C ATOM 849 CG ARG A 52 17.579 2.794 -8.572 1.00 70.22 C ATOM 850 CD ARG A 52 18.269 3.359 -9.820 1.00 23.15 C ATOM 851 NE ARG A 52 17.765 4.710 -10.118 1.00 53.44 N ATOM 852 CZ ARG A 52 16.606 5.033 -10.700 1.00 54.54 C ATOM 853 NH1 ARG A 52 15.817 4.110 -11.240 1.00 61.24 N ATOM 854 NH2 ARG A 52 16.240 6.302 -10.763 1.00 40.43 N ATOM 0 H ARG A 52 16.099 0.315 -8.739 1.00 3.52 H new ATOM 0 HA ARG A 52 18.724 0.531 -9.864 1.00 3.31 H new ATOM 0 HB2 ARG A 52 17.730 1.252 -7.089 1.00 13.41 H new ATOM 0 HB3 ARG A 52 19.266 1.725 -7.790 1.00 13.41 H new ATOM 0 HG2 ARG A 52 16.534 2.591 -8.808 1.00 70.22 H new ATOM 0 HG3 ARG A 52 17.587 3.553 -7.790 1.00 70.22 H new ATOM 0 HD2 ARG A 52 19.347 3.393 -9.663 1.00 23.15 H new ATOM 0 HD3 ARG A 52 18.091 2.702 -10.671 1.00 23.15 H new ATOM 0 HE ARG A 52 18.369 5.487 -9.850 1.00 53.44 H new ATOM 0 HH11 ARG A 52 16.091 3.128 -11.216 1.00 61.24 H new ATOM 0 HH12 ARG A 52 14.937 4.384 -11.678 1.00 61.24 H new ATOM 0 HH21 ARG A 52 16.841 7.026 -10.369 1.00 40.43 H new ATOM 0 HH22 ARG A 52 15.357 6.557 -11.206 1.00 40.43 H new ATOM 868 N LEU A 53 17.999 -1.788 -7.639 1.00 62.51 N ATOM 869 CA LEU A 53 18.465 -2.971 -6.929 1.00 24.21 C ATOM 870 C LEU A 53 19.411 -3.706 -7.867 1.00 25.25 C ATOM 871 O LEU A 53 19.039 -4.027 -8.996 1.00 61.44 O ATOM 872 CB LEU A 53 17.311 -3.925 -6.566 1.00 14.42 C ATOM 873 CG LEU A 53 16.152 -3.300 -5.776 1.00 54.13 C ATOM 874 CD1 LEU A 53 14.973 -4.269 -5.649 1.00 13.24 C ATOM 875 CD2 LEU A 53 16.557 -2.801 -4.415 1.00 1.04 C ATOM 0 H LEU A 53 16.983 -1.703 -7.656 1.00 62.51 H new ATOM 0 HA LEU A 53 18.943 -2.661 -6.000 1.00 24.21 H new ATOM 0 HB2 LEU A 53 16.911 -4.349 -7.487 1.00 14.42 H new ATOM 0 HB3 LEU A 53 17.718 -4.753 -5.985 1.00 14.42 H new ATOM 0 HG LEU A 53 15.840 -2.431 -6.356 1.00 54.13 H new ATOM 0 HD11 LEU A 53 14.171 -3.794 -5.084 1.00 13.24 H new ATOM 0 HD12 LEU A 53 14.610 -4.533 -6.642 1.00 13.24 H new ATOM 0 HD13 LEU A 53 15.297 -5.171 -5.130 1.00 13.24 H new ATOM 0 HD21 LEU A 53 15.690 -2.372 -3.912 1.00 1.04 H new ATOM 0 HD22 LEU A 53 16.946 -3.630 -3.824 1.00 1.04 H new ATOM 0 HD23 LEU A 53 17.329 -2.039 -4.522 1.00 1.04 H new ATOM 887 N ASP A 54 20.623 -3.987 -7.395 1.00 14.54 N ATOM 888 CA ASP A 54 21.639 -4.695 -8.177 1.00 43.22 C ATOM 889 C ASP A 54 21.164 -6.106 -8.535 1.00 72.32 C ATOM 890 O ASP A 54 21.645 -6.726 -9.488 1.00 0.31 O ATOM 891 CB ASP A 54 22.907 -4.784 -7.334 1.00 4.21 C ATOM 892 CG ASP A 54 24.086 -5.388 -8.083 1.00 24.05 C ATOM 893 OD1 ASP A 54 24.854 -4.614 -8.700 1.00 73.33 O ATOM 894 OD2 ASP A 54 24.293 -6.621 -8.012 1.00 22.23 O ATOM 0 H ASP A 54 20.931 -3.730 -6.457 1.00 14.54 H new ATOM 0 HA ASP A 54 21.827 -4.155 -9.105 1.00 43.22 H new ATOM 0 HB2 ASP A 54 23.177 -3.786 -6.990 1.00 4.21 H new ATOM 0 HB3 ASP A 54 22.704 -5.383 -6.446 1.00 4.21 H new ATOM 899 N THR A 55 20.230 -6.617 -7.730 1.00 45.31 N ATOM 900 CA THR A 55 19.602 -7.908 -7.846 1.00 70.22 C ATOM 901 C THR A 55 18.176 -7.813 -7.276 1.00 53.11 C ATOM 902 O THR A 55 17.978 -7.811 -6.057 1.00 63.24 O ATOM 903 CB THR A 55 20.528 -9.028 -7.394 1.00 2.34 C ATOM 904 OG1 THR A 55 20.038 -10.309 -7.718 1.00 73.31 O ATOM 905 CG2 THR A 55 20.803 -8.926 -5.928 1.00 32.24 C ATOM 0 H THR A 55 19.878 -6.093 -6.929 1.00 45.31 H new ATOM 0 HA THR A 55 19.439 -8.215 -8.879 1.00 70.22 H new ATOM 0 HB THR A 55 21.461 -8.901 -7.942 1.00 2.34 H new ATOM 0 HG1 THR A 55 20.671 -10.990 -7.407 1.00 73.31 H new ATOM 0 HG21 THR A 55 21.467 -9.736 -5.625 1.00 32.24 H new ATOM 0 HG22 THR A 55 21.277 -7.968 -5.712 1.00 32.24 H new ATOM 0 HG23 THR A 55 19.866 -8.999 -5.376 1.00 32.24 H new ATOM 913 N PRO A 56 17.158 -7.637 -8.134 1.00 41.50 N ATOM 914 CA PRO A 56 15.778 -7.560 -7.692 1.00 4.21 C ATOM 915 C PRO A 56 15.381 -8.968 -7.209 1.00 4.24 C ATOM 916 O PRO A 56 15.576 -9.931 -7.960 1.00 54.52 O ATOM 917 CB PRO A 56 14.991 -7.106 -8.918 1.00 60.42 C ATOM 918 CG PRO A 56 15.814 -7.589 -10.107 1.00 74.32 C ATOM 919 CD PRO A 56 17.244 -7.592 -9.585 1.00 13.05 C ATOM 0 HA PRO A 56 15.594 -6.868 -6.870 1.00 4.21 H new ATOM 0 HB2 PRO A 56 13.990 -7.537 -8.928 1.00 60.42 H new ATOM 0 HB3 PRO A 56 14.872 -6.023 -8.933 1.00 60.42 H new ATOM 0 HG2 PRO A 56 15.504 -8.583 -10.430 1.00 74.32 H new ATOM 0 HG3 PRO A 56 15.703 -6.926 -10.965 1.00 74.32 H new ATOM 0 HD2 PRO A 56 17.794 -8.452 -9.967 1.00 13.05 H new ATOM 0 HD3 PRO A 56 17.778 -6.701 -9.914 1.00 13.05 H new ATOM 927 N PRO A 57 14.841 -9.140 -5.991 1.00 11.34 N ATOM 928 CA PRO A 57 14.468 -10.451 -5.479 1.00 31.10 C ATOM 929 C PRO A 57 13.297 -11.009 -6.288 1.00 0.00 C ATOM 930 O PRO A 57 13.452 -11.968 -7.048 1.00 52.34 O ATOM 931 CB PRO A 57 14.173 -10.242 -3.989 1.00 51.41 C ATOM 932 CG PRO A 57 13.793 -8.766 -3.880 1.00 23.33 C ATOM 933 CD PRO A 57 14.560 -8.099 -5.017 1.00 4.33 C ATOM 0 HA PRO A 57 15.252 -11.201 -5.581 1.00 31.10 H new ATOM 0 HB2 PRO A 57 13.362 -10.887 -3.650 1.00 51.41 H new ATOM 0 HB3 PRO A 57 15.043 -10.475 -3.375 1.00 51.41 H new ATOM 0 HG2 PRO A 57 12.718 -8.622 -3.987 1.00 23.33 H new ATOM 0 HG3 PRO A 57 14.076 -8.352 -2.912 1.00 23.33 H new ATOM 0 HD2 PRO A 57 13.972 -7.298 -5.464 1.00 4.33 H new ATOM 0 HD3 PRO A 57 15.484 -7.650 -4.651 1.00 4.33 H new ATOM 941 N PHE A 58 12.107 -10.442 -6.109 1.00 33.12 N ATOM 942 CA PHE A 58 10.897 -10.836 -6.811 1.00 23.40 C ATOM 943 C PHE A 58 10.723 -9.953 -8.050 1.00 61.21 C ATOM 944 O PHE A 58 11.562 -9.100 -8.345 1.00 31.14 O ATOM 945 CB PHE A 58 9.690 -10.730 -5.869 1.00 13.13 C ATOM 946 CG PHE A 58 9.582 -11.824 -4.821 1.00 55.45 C ATOM 947 CD1 PHE A 58 9.442 -13.169 -5.223 1.00 4.43 C ATOM 948 CD2 PHE A 58 9.541 -11.500 -3.451 1.00 25.03 C ATOM 949 CE1 PHE A 58 9.256 -14.180 -4.265 1.00 31.02 C ATOM 950 CE2 PHE A 58 9.347 -12.514 -2.494 1.00 42.34 C ATOM 951 CZ PHE A 58 9.201 -13.851 -2.901 1.00 11.25 C ATOM 0 H PHE A 58 11.958 -9.675 -5.453 1.00 33.12 H new ATOM 0 HA PHE A 58 10.973 -11.873 -7.137 1.00 23.40 H new ATOM 0 HB2 PHE A 58 9.731 -9.767 -5.361 1.00 13.13 H new ATOM 0 HB3 PHE A 58 8.780 -10.735 -6.470 1.00 13.13 H new ATOM 0 HD1 PHE A 58 9.478 -13.423 -6.272 1.00 4.43 H new ATOM 0 HD2 PHE A 58 9.658 -10.474 -3.135 1.00 25.03 H new ATOM 0 HE1 PHE A 58 9.155 -15.209 -4.577 1.00 31.02 H new ATOM 0 HE2 PHE A 58 9.310 -12.264 -1.444 1.00 42.34 H new ATOM 0 HZ PHE A 58 9.046 -14.626 -2.165 1.00 11.25 H new ATOM 961 N SER A 59 9.708 -10.258 -8.857 1.00 64.50 N ATOM 962 CA SER A 59 9.375 -9.506 -10.056 1.00 31.20 C ATOM 963 C SER A 59 8.407 -8.393 -9.645 1.00 64.44 C ATOM 964 O SER A 59 7.684 -8.527 -8.657 1.00 52.03 O ATOM 965 CB SER A 59 8.702 -10.432 -11.075 1.00 21.03 C ATOM 966 OG SER A 59 9.503 -11.567 -11.344 1.00 34.21 O ATOM 0 H SER A 59 9.086 -11.049 -8.689 1.00 64.50 H new ATOM 0 HA SER A 59 10.272 -9.086 -10.512 1.00 31.20 H new ATOM 0 HB2 SER A 59 7.731 -10.751 -10.695 1.00 21.03 H new ATOM 0 HB3 SER A 59 8.518 -9.886 -12.000 1.00 21.03 H new ATOM 0 HG SER A 59 9.049 -12.141 -11.996 1.00 34.21 H new ATOM 972 N LYS A 60 8.267 -7.381 -10.503 1.00 55.42 N ATOM 973 CA LYS A 60 7.411 -6.193 -10.343 1.00 20.43 C ATOM 974 C LYS A 60 6.003 -6.529 -9.854 1.00 50.13 C ATOM 975 O LYS A 60 5.453 -5.814 -9.015 1.00 35.22 O ATOM 976 CB LYS A 60 7.372 -5.415 -11.673 1.00 4.42 C ATOM 977 CG LYS A 60 8.778 -5.199 -12.265 1.00 3.42 C ATOM 978 CD LYS A 60 8.778 -4.407 -13.574 1.00 13.01 C ATOM 979 CE LYS A 60 10.235 -4.145 -13.975 1.00 64.22 C ATOM 980 NZ LYS A 60 10.342 -3.514 -15.299 1.00 61.01 N ATOM 0 H LYS A 60 8.778 -7.363 -11.385 1.00 55.42 H new ATOM 0 HA LYS A 60 7.848 -5.569 -9.564 1.00 20.43 H new ATOM 0 HB2 LYS A 60 6.757 -5.958 -12.391 1.00 4.42 H new ATOM 0 HB3 LYS A 60 6.895 -4.448 -11.512 1.00 4.42 H new ATOM 0 HG2 LYS A 60 9.394 -4.676 -11.534 1.00 3.42 H new ATOM 0 HG3 LYS A 60 9.243 -6.170 -12.438 1.00 3.42 H new ATOM 0 HD2 LYS A 60 8.263 -4.965 -14.356 1.00 13.01 H new ATOM 0 HD3 LYS A 60 8.243 -3.466 -13.449 1.00 13.01 H new ATOM 0 HE2 LYS A 60 10.705 -3.504 -13.230 1.00 64.22 H new ATOM 0 HE3 LYS A 60 10.784 -5.087 -13.978 1.00 64.22 H new ATOM 0 HZ1 LYS A 60 10.850 -4.150 -15.947 1.00 61.01 H new ATOM 0 HZ2 LYS A 60 9.390 -3.328 -15.673 1.00 61.01 H new ATOM 0 HZ3 LYS A 60 10.862 -2.617 -15.215 1.00 61.01 H new ATOM 994 N LYS A 61 5.453 -7.646 -10.342 1.00 3.43 N ATOM 995 CA LYS A 61 4.133 -8.138 -9.986 1.00 24.11 C ATOM 996 C LYS A 61 3.996 -8.270 -8.472 1.00 51.35 C ATOM 997 O LYS A 61 2.984 -7.834 -7.935 1.00 71.54 O ATOM 998 CB LYS A 61 3.891 -9.473 -10.702 1.00 52.15 C ATOM 999 CG LYS A 61 2.413 -9.884 -10.715 1.00 62.54 C ATOM 1000 CD LYS A 61 2.267 -11.208 -11.473 1.00 43.24 C ATOM 1001 CE LYS A 61 0.801 -11.612 -11.610 1.00 15.42 C ATOM 1002 NZ LYS A 61 0.636 -12.829 -12.429 1.00 5.33 N ATOM 0 H LYS A 61 5.934 -8.244 -11.014 1.00 3.43 H new ATOM 0 HA LYS A 61 3.373 -7.427 -10.309 1.00 24.11 H new ATOM 0 HB2 LYS A 61 4.252 -9.400 -11.728 1.00 52.15 H new ATOM 0 HB3 LYS A 61 4.475 -10.253 -10.214 1.00 52.15 H new ATOM 0 HG2 LYS A 61 2.044 -9.992 -9.695 1.00 62.54 H new ATOM 0 HG3 LYS A 61 1.812 -9.110 -11.191 1.00 62.54 H new ATOM 0 HD2 LYS A 61 2.714 -11.114 -12.463 1.00 43.24 H new ATOM 0 HD3 LYS A 61 2.815 -11.991 -10.949 1.00 43.24 H new ATOM 0 HE2 LYS A 61 0.378 -11.781 -10.620 1.00 15.42 H new ATOM 0 HE3 LYS A 61 0.240 -10.793 -12.061 1.00 15.42 H new ATOM 0 HZ1 LYS A 61 -0.374 -13.068 -12.496 1.00 5.33 H new ATOM 0 HZ2 LYS A 61 1.016 -12.660 -13.382 1.00 5.33 H new ATOM 0 HZ3 LYS A 61 1.149 -13.618 -11.986 1.00 5.33 H new ATOM 1016 N SER A 62 4.972 -8.870 -7.785 1.00 41.02 N ATOM 1017 CA SER A 62 4.931 -9.046 -6.341 1.00 44.43 C ATOM 1018 C SER A 62 4.821 -7.706 -5.626 1.00 4.21 C ATOM 1019 O SER A 62 3.940 -7.561 -4.786 1.00 44.53 O ATOM 1020 CB SER A 62 6.166 -9.802 -5.853 1.00 70.34 C ATOM 1021 OG SER A 62 6.151 -11.137 -6.329 1.00 73.25 O ATOM 0 H SER A 62 5.813 -9.247 -8.221 1.00 41.02 H new ATOM 0 HA SER A 62 4.044 -9.634 -6.105 1.00 44.43 H new ATOM 0 HB2 SER A 62 7.068 -9.297 -6.197 1.00 70.34 H new ATOM 0 HB3 SER A 62 6.195 -9.798 -4.763 1.00 70.34 H new ATOM 0 HG SER A 62 6.857 -11.651 -5.884 1.00 73.25 H new ATOM 1027 N LEU A 63 5.664 -6.724 -5.965 1.00 65.22 N ATOM 1028 CA LEU A 63 5.637 -5.407 -5.330 1.00 61.40 C ATOM 1029 C LEU A 63 4.256 -4.771 -5.474 1.00 34.04 C ATOM 1030 O LEU A 63 3.658 -4.371 -4.472 1.00 54.44 O ATOM 1031 CB LEU A 63 6.793 -4.543 -5.864 1.00 12.20 C ATOM 1032 CG LEU A 63 7.210 -3.393 -4.923 1.00 54.20 C ATOM 1033 CD1 LEU A 63 8.677 -2.997 -5.148 1.00 21.31 C ATOM 1034 CD2 LEU A 63 6.363 -2.141 -5.135 1.00 54.40 C ATOM 0 H LEU A 63 6.380 -6.822 -6.685 1.00 65.22 H new ATOM 0 HA LEU A 63 5.802 -5.502 -4.257 1.00 61.40 H new ATOM 0 HB2 LEU A 63 7.657 -5.183 -6.043 1.00 12.20 H new ATOM 0 HB3 LEU A 63 6.503 -4.123 -6.827 1.00 12.20 H new ATOM 0 HG LEU A 63 7.063 -3.769 -3.911 1.00 54.20 H new ATOM 0 HD11 LEU A 63 8.942 -2.185 -4.471 1.00 21.31 H new ATOM 0 HD12 LEU A 63 9.320 -3.856 -4.954 1.00 21.31 H new ATOM 0 HD13 LEU A 63 8.811 -2.669 -6.179 1.00 21.31 H new ATOM 0 HD21 LEU A 63 6.693 -1.359 -4.451 1.00 54.40 H new ATOM 0 HD22 LEU A 63 6.475 -1.796 -6.163 1.00 54.40 H new ATOM 0 HD23 LEU A 63 5.316 -2.373 -4.943 1.00 54.40 H new ATOM 1046 N ARG A 64 3.717 -4.714 -6.698 1.00 15.11 N ATOM 1047 CA ARG A 64 2.399 -4.121 -6.927 1.00 1.11 C ATOM 1048 C ARG A 64 1.296 -4.905 -6.225 1.00 61.25 C ATOM 1049 O ARG A 64 0.349 -4.297 -5.727 1.00 31.44 O ATOM 1050 CB ARG A 64 2.122 -4.024 -8.443 1.00 50.33 C ATOM 1051 CG ARG A 64 0.786 -3.377 -8.860 1.00 24.20 C ATOM 1052 CD ARG A 64 0.491 -1.981 -8.276 1.00 41.03 C ATOM 1053 NE ARG A 64 0.143 -0.983 -9.313 1.00 5.22 N ATOM 1054 CZ ARG A 64 -0.537 0.163 -9.142 1.00 24.45 C ATOM 1055 NH1 ARG A 64 -0.964 0.545 -7.941 1.00 22.33 N ATOM 1056 NH2 ARG A 64 -0.773 0.939 -10.195 1.00 24.01 N ATOM 0 H ARG A 64 4.172 -5.070 -7.539 1.00 15.11 H new ATOM 0 HA ARG A 64 2.402 -3.118 -6.500 1.00 1.11 H new ATOM 0 HB2 ARG A 64 2.933 -3.458 -8.902 1.00 50.33 H new ATOM 0 HB3 ARG A 64 2.159 -5.030 -8.861 1.00 50.33 H new ATOM 0 HG2 ARG A 64 0.766 -3.304 -9.947 1.00 24.20 H new ATOM 0 HG3 ARG A 64 -0.024 -4.047 -8.570 1.00 24.20 H new ATOM 0 HD2 ARG A 64 -0.330 -2.057 -7.563 1.00 41.03 H new ATOM 0 HD3 ARG A 64 1.363 -1.633 -7.722 1.00 41.03 H new ATOM 0 HE ARG A 64 0.454 -1.188 -10.262 1.00 5.22 H new ATOM 0 HH11 ARG A 64 -0.777 -0.037 -7.124 1.00 22.33 H new ATOM 0 HH12 ARG A 64 -1.478 1.420 -7.837 1.00 22.33 H new ATOM 0 HH21 ARG A 64 -0.439 0.662 -11.118 1.00 24.01 H new ATOM 0 HH22 ARG A 64 -1.288 1.812 -10.080 1.00 24.01 H new ATOM 1070 N GLU A 65 1.370 -6.232 -6.210 1.00 12.01 N ATOM 1071 CA GLU A 65 0.378 -7.088 -5.582 1.00 11.22 C ATOM 1072 C GLU A 65 0.380 -6.893 -4.064 1.00 52.42 C ATOM 1073 O GLU A 65 -0.674 -6.698 -3.459 1.00 61.00 O ATOM 1074 CB GLU A 65 0.663 -8.547 -5.972 1.00 34.11 C ATOM 1075 CG GLU A 65 -0.431 -9.494 -5.482 1.00 64.55 C ATOM 1076 CD GLU A 65 -1.765 -9.221 -6.190 1.00 51.41 C ATOM 1077 OE1 GLU A 65 -1.868 -9.518 -7.407 1.00 10.22 O ATOM 1078 OE2 GLU A 65 -2.700 -8.690 -5.547 1.00 3.04 O ATOM 0 H GLU A 65 2.136 -6.749 -6.642 1.00 12.01 H new ATOM 0 HA GLU A 65 -0.619 -6.821 -5.933 1.00 11.22 H new ATOM 0 HB2 GLU A 65 0.749 -8.622 -7.056 1.00 34.11 H new ATOM 0 HB3 GLU A 65 1.622 -8.853 -5.554 1.00 34.11 H new ATOM 0 HG2 GLU A 65 -0.128 -10.526 -5.659 1.00 64.55 H new ATOM 0 HG3 GLU A 65 -0.558 -9.380 -4.406 1.00 64.55 H new ATOM 1085 N ALA A 66 1.556 -6.944 -3.441 1.00 2.24 N ATOM 1086 CA ALA A 66 1.727 -6.789 -2.009 1.00 13.33 C ATOM 1087 C ALA A 66 1.191 -5.446 -1.521 1.00 23.20 C ATOM 1088 O ALA A 66 0.430 -5.422 -0.553 1.00 62.43 O ATOM 1089 CB ALA A 66 3.197 -6.983 -1.652 1.00 41.55 C ATOM 0 H ALA A 66 2.434 -7.098 -3.936 1.00 2.24 H new ATOM 0 HA ALA A 66 1.142 -7.553 -1.497 1.00 13.33 H new ATOM 0 HB1 ALA A 66 3.329 -6.867 -0.576 1.00 41.55 H new ATOM 0 HB2 ALA A 66 3.515 -7.982 -1.951 1.00 41.55 H new ATOM 0 HB3 ALA A 66 3.799 -6.239 -2.173 1.00 41.55 H new ATOM 1095 N LEU A 67 1.522 -4.345 -2.205 1.00 64.13 N ATOM 1096 CA LEU A 67 1.057 -3.010 -1.823 1.00 30.40 C ATOM 1097 C LEU A 67 -0.476 -2.945 -1.731 1.00 34.24 C ATOM 1098 O LEU A 67 -1.013 -2.121 -0.989 1.00 13.11 O ATOM 1099 CB LEU A 67 1.641 -1.928 -2.747 1.00 50.34 C ATOM 1100 CG LEU A 67 2.526 -0.909 -2.000 1.00 24.35 C ATOM 1101 CD1 LEU A 67 3.240 -0.001 -3.009 1.00 22.45 C ATOM 1102 CD2 LEU A 67 1.739 -0.035 -1.014 1.00 44.52 C ATOM 0 H LEU A 67 2.116 -4.355 -3.034 1.00 64.13 H new ATOM 0 HA LEU A 67 1.432 -2.803 -0.821 1.00 30.40 H new ATOM 0 HB2 LEU A 67 2.229 -2.406 -3.530 1.00 50.34 H new ATOM 0 HB3 LEU A 67 0.825 -1.399 -3.239 1.00 50.34 H new ATOM 0 HG LEU A 67 3.245 -1.489 -1.421 1.00 24.35 H new ATOM 0 HD11 LEU A 67 3.863 0.716 -2.475 1.00 22.45 H new ATOM 0 HD12 LEU A 67 3.865 -0.607 -3.665 1.00 22.45 H new ATOM 0 HD13 LEU A 67 2.500 0.534 -3.604 1.00 22.45 H new ATOM 0 HD21 LEU A 67 2.419 0.660 -0.521 1.00 44.52 H new ATOM 0 HD22 LEU A 67 0.975 0.525 -1.554 1.00 44.52 H new ATOM 0 HD23 LEU A 67 1.263 -0.669 -0.266 1.00 44.52 H new ATOM 1114 N SER A 68 -1.195 -3.795 -2.474 1.00 44.14 N ATOM 1115 CA SER A 68 -2.652 -3.869 -2.470 1.00 10.01 C ATOM 1116 C SER A 68 -3.175 -4.305 -1.099 1.00 70.32 C ATOM 1117 O SER A 68 -4.307 -3.982 -0.737 1.00 52.23 O ATOM 1118 CB SER A 68 -3.110 -4.881 -3.527 1.00 45.14 C ATOM 1119 OG SER A 68 -4.297 -4.469 -4.179 1.00 32.40 O ATOM 0 H SER A 68 -0.763 -4.466 -3.110 1.00 44.14 H new ATOM 0 HA SER A 68 -3.049 -2.879 -2.695 1.00 10.01 H new ATOM 0 HB2 SER A 68 -2.320 -5.016 -4.265 1.00 45.14 H new ATOM 0 HB3 SER A 68 -3.274 -5.849 -3.054 1.00 45.14 H new ATOM 0 HG SER A 68 -4.554 -5.140 -4.845 1.00 32.40 H new ATOM 1125 N TYR A 69 -2.420 -5.136 -0.372 1.00 22.25 N ATOM 1126 CA TYR A 69 -2.823 -5.603 0.948 1.00 51.23 C ATOM 1127 C TYR A 69 -2.694 -4.461 1.949 1.00 40.33 C ATOM 1128 O TYR A 69 -3.537 -4.364 2.836 1.00 43.11 O ATOM 1129 CB TYR A 69 -2.041 -6.853 1.386 1.00 21.00 C ATOM 1130 CG TYR A 69 -2.805 -8.146 1.155 1.00 64.23 C ATOM 1131 CD1 TYR A 69 -3.204 -8.947 2.245 1.00 25.14 C ATOM 1132 CD2 TYR A 69 -3.154 -8.537 -0.152 1.00 4.31 C ATOM 1133 CE1 TYR A 69 -3.920 -10.141 2.034 1.00 60.14 C ATOM 1134 CE2 TYR A 69 -3.895 -9.713 -0.358 1.00 22.45 C ATOM 1135 CZ TYR A 69 -4.259 -10.542 0.724 1.00 72.33 C ATOM 1136 OH TYR A 69 -4.882 -11.730 0.476 1.00 12.44 O ATOM 0 H TYR A 69 -1.519 -5.499 -0.684 1.00 22.25 H new ATOM 0 HA TYR A 69 -3.867 -5.912 0.905 1.00 51.23 H new ATOM 0 HB2 TYR A 69 -1.098 -6.893 0.841 1.00 21.00 H new ATOM 0 HB3 TYR A 69 -1.795 -6.768 2.444 1.00 21.00 H new ATOM 0 HD1 TYR A 69 -2.958 -8.642 3.251 1.00 25.14 H new ATOM 0 HD2 TYR A 69 -2.852 -7.934 -0.995 1.00 4.31 H new ATOM 0 HE1 TYR A 69 -4.210 -10.751 2.876 1.00 60.14 H new ATOM 0 HE2 TYR A 69 -4.190 -9.987 -1.360 1.00 22.45 H new ATOM 0 HH TYR A 69 -5.032 -11.826 -0.488 1.00 12.44 H new ATOM 1146 N TYR A 70 -1.677 -3.596 1.854 1.00 53.00 N ATOM 1147 CA TYR A 70 -1.569 -2.493 2.808 1.00 44.15 C ATOM 1148 C TYR A 70 -2.766 -1.562 2.639 1.00 43.33 C ATOM 1149 O TYR A 70 -3.371 -1.170 3.640 1.00 62.23 O ATOM 1150 CB TYR A 70 -0.228 -1.761 2.707 1.00 62.54 C ATOM 1151 CG TYR A 70 0.652 -2.027 3.911 1.00 65.51 C ATOM 1152 CD1 TYR A 70 1.163 -3.319 4.124 1.00 31.25 C ATOM 1153 CD2 TYR A 70 0.953 -1.000 4.823 1.00 2.41 C ATOM 1154 CE1 TYR A 70 2.062 -3.559 5.175 1.00 50.33 C ATOM 1155 CE2 TYR A 70 1.817 -1.245 5.904 1.00 23.22 C ATOM 1156 CZ TYR A 70 2.406 -2.519 6.064 1.00 54.44 C ATOM 1157 OH TYR A 70 3.269 -2.752 7.089 1.00 62.10 O ATOM 0 H TYR A 70 -0.941 -3.636 1.149 1.00 53.00 H new ATOM 0 HA TYR A 70 -1.590 -2.900 3.819 1.00 44.15 H new ATOM 0 HB2 TYR A 70 0.290 -2.076 1.801 1.00 62.54 H new ATOM 0 HB3 TYR A 70 -0.405 -0.689 2.616 1.00 62.54 H new ATOM 0 HD1 TYR A 70 0.863 -4.130 3.477 1.00 31.25 H new ATOM 0 HD2 TYR A 70 0.519 -0.020 4.692 1.00 2.41 H new ATOM 0 HE1 TYR A 70 2.491 -4.542 5.303 1.00 50.33 H new ATOM 0 HE2 TYR A 70 2.031 -0.459 6.613 1.00 23.22 H new ATOM 0 HH TYR A 70 2.884 -2.413 7.924 1.00 62.10 H new ATOM 1167 N SER A 71 -3.149 -1.244 1.403 1.00 34.20 N ATOM 1168 CA SER A 71 -4.306 -0.388 1.170 1.00 1.14 C ATOM 1169 C SER A 71 -5.613 -1.104 1.556 1.00 72.25 C ATOM 1170 O SER A 71 -6.597 -0.436 1.864 1.00 62.02 O ATOM 1171 CB SER A 71 -4.314 0.112 -0.275 1.00 54.52 C ATOM 1172 OG SER A 71 -3.849 -0.872 -1.184 1.00 32.04 O ATOM 0 H SER A 71 -2.679 -1.564 0.556 1.00 34.20 H new ATOM 0 HA SER A 71 -4.233 0.487 1.815 1.00 1.14 H new ATOM 0 HB2 SER A 71 -5.326 0.409 -0.550 1.00 54.52 H new ATOM 0 HB3 SER A 71 -3.689 1.001 -0.354 1.00 54.52 H new ATOM 0 HG SER A 71 -4.094 -1.762 -0.856 1.00 32.04 H new ATOM 1178 N ALA A 72 -5.643 -2.441 1.579 1.00 61.34 N ATOM 1179 CA ALA A 72 -6.815 -3.234 1.946 1.00 0.43 C ATOM 1180 C ALA A 72 -6.776 -3.620 3.434 1.00 72.20 C ATOM 1181 O ALA A 72 -7.543 -4.491 3.858 1.00 53.40 O ATOM 1182 CB ALA A 72 -6.896 -4.485 1.063 1.00 22.50 C ATOM 0 H ALA A 72 -4.833 -3.012 1.337 1.00 61.34 H new ATOM 0 HA ALA A 72 -7.707 -2.630 1.784 1.00 0.43 H new ATOM 0 HB1 ALA A 72 -7.772 -5.071 1.342 1.00 22.50 H new ATOM 0 HB2 ALA A 72 -6.976 -4.188 0.017 1.00 22.50 H new ATOM 0 HB3 ALA A 72 -5.998 -5.087 1.201 1.00 22.50 H new ATOM 1188 N SER A 73 -5.850 -3.055 4.217 1.00 14.00 N ATOM 1189 CA SER A 73 -5.720 -3.355 5.636 1.00 32.54 C ATOM 1190 C SER A 73 -6.983 -2.903 6.388 1.00 14.54 C ATOM 1191 O SER A 73 -7.671 -1.983 5.931 1.00 51.32 O ATOM 1192 CB SER A 73 -4.413 -2.765 6.180 1.00 12.12 C ATOM 1193 OG SER A 73 -4.335 -1.353 6.074 1.00 60.22 O ATOM 0 H SER A 73 -5.170 -2.375 3.877 1.00 14.00 H new ATOM 0 HA SER A 73 -5.649 -4.431 5.795 1.00 32.54 H new ATOM 0 HB2 SER A 73 -4.306 -3.048 7.227 1.00 12.12 H new ATOM 0 HB3 SER A 73 -3.574 -3.207 5.643 1.00 12.12 H new ATOM 0 HG SER A 73 -4.072 -1.107 5.162 1.00 60.22 H new ATOM 1199 N PRO A 74 -7.283 -3.482 7.565 1.00 3.04 N ATOM 1200 CA PRO A 74 -8.481 -3.130 8.314 1.00 45.14 C ATOM 1201 C PRO A 74 -8.488 -1.667 8.745 1.00 62.24 C ATOM 1202 O PRO A 74 -9.377 -0.922 8.343 1.00 10.44 O ATOM 1203 CB PRO A 74 -8.558 -4.105 9.495 1.00 13.02 C ATOM 1204 CG PRO A 74 -7.129 -4.608 9.649 1.00 54.31 C ATOM 1205 CD PRO A 74 -6.559 -4.555 8.235 1.00 32.51 C ATOM 0 HA PRO A 74 -9.370 -3.225 7.691 1.00 45.14 H new ATOM 0 HB2 PRO A 74 -8.907 -3.609 10.401 1.00 13.02 H new ATOM 0 HB3 PRO A 74 -9.250 -4.923 9.293 1.00 13.02 H new ATOM 0 HG2 PRO A 74 -6.557 -3.980 10.333 1.00 54.31 H new ATOM 0 HG3 PRO A 74 -7.104 -5.621 10.051 1.00 54.31 H new ATOM 0 HD2 PRO A 74 -5.487 -4.356 8.251 1.00 32.51 H new ATOM 0 HD3 PRO A 74 -6.699 -5.505 7.719 1.00 32.51 H new ATOM 1213 N ALA A 75 -7.443 -1.225 9.448 1.00 32.42 N ATOM 1214 CA ALA A 75 -7.323 0.130 9.965 1.00 64.44 C ATOM 1215 C ALA A 75 -7.472 1.209 8.891 1.00 31.12 C ATOM 1216 O ALA A 75 -8.119 2.226 9.154 1.00 21.42 O ATOM 1217 CB ALA A 75 -5.979 0.258 10.690 1.00 72.30 C ATOM 0 H ALA A 75 -6.643 -1.815 9.676 1.00 32.42 H new ATOM 0 HA ALA A 75 -8.148 0.298 10.657 1.00 64.44 H new ATOM 0 HB1 ALA A 75 -5.873 1.269 11.084 1.00 72.30 H new ATOM 0 HB2 ALA A 75 -5.939 -0.458 11.511 1.00 72.30 H new ATOM 0 HB3 ALA A 75 -5.168 0.054 9.991 1.00 72.30 H new ATOM 1223 N TYR A 76 -6.898 1.007 7.699 1.00 31.43 N ATOM 1224 CA TYR A 76 -6.996 1.990 6.629 1.00 25.45 C ATOM 1225 C TYR A 76 -8.451 2.161 6.186 1.00 73.41 C ATOM 1226 O TYR A 76 -8.970 3.280 6.150 1.00 10.31 O ATOM 1227 CB TYR A 76 -6.137 1.562 5.422 1.00 45.14 C ATOM 1228 CG TYR A 76 -6.356 2.397 4.171 1.00 13.11 C ATOM 1229 CD1 TYR A 76 -5.595 3.549 3.895 1.00 25.04 C ATOM 1230 CD2 TYR A 76 -7.355 2.005 3.264 1.00 43.40 C ATOM 1231 CE1 TYR A 76 -5.832 4.268 2.715 1.00 13.34 C ATOM 1232 CE2 TYR A 76 -7.566 2.703 2.066 1.00 34.12 C ATOM 1233 CZ TYR A 76 -6.799 3.845 1.779 1.00 53.52 C ATOM 1234 OH TYR A 76 -6.972 4.504 0.598 1.00 11.11 O ATOM 0 H TYR A 76 -6.364 0.172 7.458 1.00 31.43 H new ATOM 0 HA TYR A 76 -6.627 2.942 7.011 1.00 25.45 H new ATOM 0 HB2 TYR A 76 -5.085 1.617 5.702 1.00 45.14 H new ATOM 0 HB3 TYR A 76 -6.351 0.519 5.190 1.00 45.14 H new ATOM 0 HD1 TYR A 76 -4.834 3.877 4.588 1.00 25.04 H new ATOM 0 HD2 TYR A 76 -7.973 1.149 3.494 1.00 43.40 H new ATOM 0 HE1 TYR A 76 -5.262 5.164 2.518 1.00 13.34 H new ATOM 0 HE2 TYR A 76 -8.316 2.364 1.366 1.00 34.12 H new ATOM 0 HH TYR A 76 -7.682 4.068 0.081 1.00 11.11 H new ATOM 1244 N LEU A 77 -9.118 1.051 5.855 1.00 24.50 N ATOM 1245 CA LEU A 77 -10.492 1.063 5.373 1.00 22.32 C ATOM 1246 C LEU A 77 -11.454 1.566 6.438 1.00 24.32 C ATOM 1247 O LEU A 77 -12.290 2.428 6.161 1.00 11.32 O ATOM 1248 CB LEU A 77 -10.911 -0.342 4.909 1.00 70.10 C ATOM 1249 CG LEU A 77 -10.028 -0.946 3.799 1.00 13.24 C ATOM 1250 CD1 LEU A 77 -10.271 -2.451 3.780 1.00 51.31 C ATOM 1251 CD2 LEU A 77 -10.289 -0.317 2.429 1.00 70.23 C ATOM 0 H LEU A 77 -8.713 0.117 5.916 1.00 24.50 H new ATOM 0 HA LEU A 77 -10.537 1.749 4.527 1.00 22.32 H new ATOM 0 HB2 LEU A 77 -10.899 -1.012 5.769 1.00 70.10 H new ATOM 0 HB3 LEU A 77 -11.940 -0.300 4.553 1.00 70.10 H new ATOM 0 HG LEU A 77 -8.982 -0.732 4.017 1.00 13.24 H new ATOM 0 HD11 LEU A 77 -9.659 -2.909 3.003 1.00 51.31 H new ATOM 0 HD12 LEU A 77 -10.005 -2.875 4.748 1.00 51.31 H new ATOM 0 HD13 LEU A 77 -11.323 -2.647 3.575 1.00 51.31 H new ATOM 0 HD21 LEU A 77 -9.640 -0.781 1.686 1.00 70.23 H new ATOM 0 HD22 LEU A 77 -11.331 -0.474 2.149 1.00 70.23 H new ATOM 0 HD23 LEU A 77 -10.083 0.752 2.474 1.00 70.23 H new ATOM 1263 N SER A 78 -11.309 1.040 7.651 1.00 31.22 N ATOM 1264 CA SER A 78 -12.126 1.355 8.812 1.00 22.13 C ATOM 1265 C SER A 78 -12.120 2.831 9.198 1.00 22.14 C ATOM 1266 O SER A 78 -13.152 3.324 9.656 1.00 72.22 O ATOM 1267 CB SER A 78 -11.635 0.521 10.002 1.00 3.34 C ATOM 1268 OG SER A 78 -12.654 0.277 10.950 1.00 21.11 O ATOM 0 H SER A 78 -10.585 0.352 7.857 1.00 31.22 H new ATOM 0 HA SER A 78 -13.155 1.114 8.544 1.00 22.13 H new ATOM 0 HB2 SER A 78 -11.246 -0.430 9.639 1.00 3.34 H new ATOM 0 HB3 SER A 78 -10.808 1.039 10.488 1.00 3.34 H new ATOM 0 HG SER A 78 -12.293 -0.258 11.687 1.00 21.11 H new ATOM 1274 N CYS A 79 -11.016 3.569 8.999 1.00 52.40 N ATOM 1275 CA CYS A 79 -11.052 4.970 9.418 1.00 52.22 C ATOM 1276 C CYS A 79 -11.871 5.836 8.458 1.00 51.23 C ATOM 1277 O CYS A 79 -12.372 6.871 8.900 1.00 71.22 O ATOM 1278 CB CYS A 79 -9.617 5.505 9.540 1.00 13.22 C ATOM 1279 SG CYS A 79 -9.484 6.718 10.885 1.00 43.31 S ATOM 0 H CYS A 79 -10.145 3.244 8.579 1.00 52.40 H new ATOM 0 HA CYS A 79 -11.545 5.021 10.389 1.00 52.22 H new ATOM 0 HB2 CYS A 79 -8.931 4.678 9.723 1.00 13.22 H new ATOM 0 HB3 CYS A 79 -9.316 5.966 8.599 1.00 13.22 H new ATOM 0 HG CYS A 79 -8.260 7.148 10.962 1.00 43.31 H new ATOM 1285 N GLN A 80 -12.101 5.377 7.214 1.00 25.51 N ATOM 1286 CA GLN A 80 -12.846 6.072 6.162 1.00 40.31 C ATOM 1287 C GLN A 80 -12.620 7.589 6.251 1.00 14.15 C ATOM 1288 O GLN A 80 -13.563 8.334 6.507 1.00 43.14 O ATOM 1289 CB GLN A 80 -14.333 5.645 6.139 1.00 52.43 C ATOM 1290 CG GLN A 80 -15.109 5.741 7.467 1.00 33.32 C ATOM 1291 CD GLN A 80 -16.605 5.472 7.284 1.00 22.12 C ATOM 1292 OE1 GLN A 80 -17.272 6.107 6.474 1.00 34.45 O ATOM 1293 NE2 GLN A 80 -17.180 4.536 8.017 1.00 12.44 N ATOM 0 H GLN A 80 -11.754 4.469 6.906 1.00 25.51 H new ATOM 0 HA GLN A 80 -12.456 5.770 5.190 1.00 40.31 H new ATOM 0 HB2 GLN A 80 -14.850 6.257 5.400 1.00 52.43 H new ATOM 0 HB3 GLN A 80 -14.384 4.613 5.791 1.00 52.43 H new ATOM 0 HG2 GLN A 80 -14.697 5.025 8.179 1.00 33.32 H new ATOM 0 HG3 GLN A 80 -14.970 6.733 7.896 1.00 33.32 H new ATOM 0 HE21 GLN A 80 -16.628 4.006 8.692 1.00 12.44 H new ATOM 0 HE22 GLN A 80 -18.176 4.343 7.908 1.00 12.44 H new ATOM 1302 N LYS A 81 -11.382 8.060 6.032 1.00 11.23 N ATOM 1303 CA LYS A 81 -11.050 9.482 6.134 1.00 72.24 C ATOM 1304 C LYS A 81 -10.904 10.240 4.816 1.00 31.11 C ATOM 1305 O LYS A 81 -9.872 10.111 4.152 1.00 43.31 O ATOM 1306 CB LYS A 81 -9.838 9.728 7.051 1.00 0.14 C ATOM 1307 CG LYS A 81 -10.132 9.398 8.523 1.00 32.32 C ATOM 1308 CD LYS A 81 -11.208 10.279 9.186 1.00 20.25 C ATOM 1309 CE LYS A 81 -11.618 9.729 10.553 1.00 31.54 C ATOM 1310 NZ LYS A 81 -12.964 10.209 10.937 1.00 74.15 N ATOM 0 H LYS A 81 -10.591 7.467 5.781 1.00 11.23 H new ATOM 0 HA LYS A 81 -11.941 9.911 6.592 1.00 72.24 H new ATOM 0 HB2 LYS A 81 -8.999 9.123 6.708 1.00 0.14 H new ATOM 0 HB3 LYS A 81 -9.532 10.771 6.971 1.00 0.14 H new ATOM 0 HG2 LYS A 81 -10.445 8.356 8.590 1.00 32.32 H new ATOM 0 HG3 LYS A 81 -9.207 9.491 9.092 1.00 32.32 H new ATOM 0 HD2 LYS A 81 -10.829 11.295 9.300 1.00 20.25 H new ATOM 0 HD3 LYS A 81 -12.083 10.336 8.538 1.00 20.25 H new ATOM 0 HE2 LYS A 81 -11.610 8.639 10.527 1.00 31.54 H new ATOM 0 HE3 LYS A 81 -10.891 10.035 11.305 1.00 31.54 H new ATOM 0 HZ1 LYS A 81 -13.218 9.822 11.868 1.00 74.15 H new ATOM 0 HZ2 LYS A 81 -12.962 11.248 10.983 1.00 74.15 H new ATOM 0 HZ3 LYS A 81 -13.659 9.895 10.230 1.00 74.15 H new ATOM 1324 N PRO A 82 -11.929 11.005 4.409 1.00 1.34 N ATOM 1325 CA PRO A 82 -11.889 11.834 3.215 1.00 22.45 C ATOM 1326 C PRO A 82 -11.118 13.104 3.598 1.00 2.13 C ATOM 1327 O PRO A 82 -10.641 13.212 4.730 1.00 3.50 O ATOM 1328 CB PRO A 82 -13.353 12.170 2.928 1.00 31.24 C ATOM 1329 CG PRO A 82 -13.982 12.236 4.317 1.00 40.23 C ATOM 1330 CD PRO A 82 -13.187 11.205 5.112 1.00 61.22 C ATOM 0 HA PRO A 82 -11.417 11.367 2.351 1.00 22.45 H new ATOM 0 HB2 PRO A 82 -13.451 13.117 2.398 1.00 31.24 H new ATOM 0 HB3 PRO A 82 -13.826 11.408 2.309 1.00 31.24 H new ATOM 0 HG2 PRO A 82 -13.895 13.232 4.751 1.00 40.23 H new ATOM 0 HG3 PRO A 82 -15.044 11.991 4.290 1.00 40.23 H new ATOM 0 HD2 PRO A 82 -13.009 11.555 6.129 1.00 61.22 H new ATOM 0 HD3 PRO A 82 -13.739 10.268 5.189 1.00 61.22 H new ATOM 1338 N ASP A 83 -10.965 14.055 2.673 1.00 32.42 N ATOM 1339 CA ASP A 83 -10.298 15.349 2.884 1.00 52.34 C ATOM 1340 C ASP A 83 -9.057 15.192 3.768 1.00 44.54 C ATOM 1341 O ASP A 83 -8.897 15.868 4.782 1.00 44.52 O ATOM 1342 CB ASP A 83 -11.307 16.344 3.476 1.00 14.42 C ATOM 1343 CG ASP A 83 -12.622 16.377 2.704 1.00 0.23 C ATOM 1344 OD1 ASP A 83 -12.604 16.502 1.458 1.00 12.32 O ATOM 1345 OD2 ASP A 83 -13.679 16.283 3.365 1.00 11.11 O ATOM 0 H ASP A 83 -11.314 13.944 1.721 1.00 32.42 H new ATOM 0 HA ASP A 83 -9.948 15.739 1.928 1.00 52.34 H new ATOM 0 HB2 ASP A 83 -11.506 16.079 4.514 1.00 14.42 H new ATOM 0 HB3 ASP A 83 -10.868 17.342 3.480 1.00 14.42 H new ATOM 1350 N THR A 84 -8.163 14.285 3.373 1.00 4.44 N ATOM 1351 CA THR A 84 -6.948 13.952 4.113 1.00 23.42 C ATOM 1352 C THR A 84 -5.646 14.263 3.355 1.00 24.41 C ATOM 1353 O THR A 84 -4.575 14.140 3.939 1.00 63.51 O ATOM 1354 CB THR A 84 -7.128 12.488 4.571 1.00 33.53 C ATOM 1355 OG1 THR A 84 -6.208 12.068 5.557 1.00 55.13 O ATOM 1356 CG2 THR A 84 -7.049 11.537 3.373 1.00 61.01 C ATOM 0 H THR A 84 -8.267 13.750 2.511 1.00 4.44 H new ATOM 0 HA THR A 84 -6.822 14.594 4.985 1.00 23.42 H new ATOM 0 HB THR A 84 -8.116 12.452 5.030 1.00 33.53 H new ATOM 0 HG1 THR A 84 -5.354 12.530 5.425 1.00 55.13 H new ATOM 0 HG21 THR A 84 -7.178 10.510 3.715 1.00 61.01 H new ATOM 0 HG22 THR A 84 -7.836 11.784 2.660 1.00 61.01 H new ATOM 0 HG23 THR A 84 -6.077 11.640 2.891 1.00 61.01 H new ATOM 1364 N ALA A 85 -5.728 14.679 2.082 1.00 71.21 N ATOM 1365 CA ALA A 85 -4.595 15.044 1.219 1.00 3.43 C ATOM 1366 C ALA A 85 -3.497 13.999 1.084 1.00 20.42 C ATOM 1367 O ALA A 85 -2.621 13.866 1.939 1.00 14.54 O ATOM 1368 CB ALA A 85 -4.018 16.392 1.655 1.00 4.35 C ATOM 0 H ALA A 85 -6.625 14.774 1.606 1.00 71.21 H new ATOM 0 HA ALA A 85 -5.015 15.113 0.216 1.00 3.43 H new ATOM 0 HB1 ALA A 85 -3.179 16.654 1.010 1.00 4.35 H new ATOM 0 HB2 ALA A 85 -4.788 17.159 1.579 1.00 4.35 H new ATOM 0 HB3 ALA A 85 -3.675 16.324 2.687 1.00 4.35 H new ATOM 1374 N ARG A 86 -3.564 13.210 0.008 1.00 30.14 N ATOM 1375 CA ARG A 86 -2.505 12.220 -0.194 1.00 30.12 C ATOM 1376 C ARG A 86 -1.212 12.963 -0.565 1.00 41.53 C ATOM 1377 O ARG A 86 -1.220 14.157 -0.871 1.00 52.10 O ATOM 1378 CB ARG A 86 -2.890 11.170 -1.254 1.00 74.42 C ATOM 1379 CG ARG A 86 -3.924 10.188 -0.721 1.00 53.11 C ATOM 1380 CD ARG A 86 -5.371 10.620 -0.982 1.00 2.40 C ATOM 1381 NE ARG A 86 -5.944 9.880 -2.116 1.00 3.44 N ATOM 1382 CZ ARG A 86 -6.417 10.362 -3.274 1.00 60.12 C ATOM 1383 NH1 ARG A 86 -6.318 11.651 -3.592 1.00 43.21 N ATOM 1384 NH2 ARG A 86 -7.025 9.526 -4.107 1.00 15.22 N ATOM 0 H ARG A 86 -4.297 13.232 -0.701 1.00 30.14 H new ATOM 0 HA ARG A 86 -2.351 11.662 0.729 1.00 30.12 H new ATOM 0 HB2 ARG A 86 -3.285 11.672 -2.137 1.00 74.42 H new ATOM 0 HB3 ARG A 86 -1.999 10.626 -1.568 1.00 74.42 H new ATOM 0 HG2 ARG A 86 -3.757 9.213 -1.178 1.00 53.11 H new ATOM 0 HG3 ARG A 86 -3.778 10.066 0.352 1.00 53.11 H new ATOM 0 HD2 ARG A 86 -5.973 10.448 -0.089 1.00 2.40 H new ATOM 0 HD3 ARG A 86 -5.404 11.690 -1.187 1.00 2.40 H new ATOM 0 HE ARG A 86 -5.987 8.867 -2.007 1.00 3.44 H new ATOM 0 HH11 ARG A 86 -5.872 12.303 -2.946 1.00 43.21 H new ATOM 0 HH12 ARG A 86 -6.688 11.987 -4.481 1.00 43.21 H new ATOM 0 HH21 ARG A 86 -7.124 8.541 -3.860 1.00 15.22 H new ATOM 0 HH22 ARG A 86 -7.394 9.868 -4.994 1.00 15.22 H new ATOM 1398 N VAL A 87 -0.099 12.238 -0.558 1.00 35.41 N ATOM 1399 CA VAL A 87 1.237 12.713 -0.894 1.00 31.01 C ATOM 1400 C VAL A 87 1.910 11.613 -1.724 1.00 53.34 C ATOM 1401 O VAL A 87 1.414 10.478 -1.768 1.00 51.24 O ATOM 1402 CB VAL A 87 2.037 13.088 0.381 1.00 14.14 C ATOM 1403 CG1 VAL A 87 1.610 14.453 0.936 1.00 44.40 C ATOM 1404 CG2 VAL A 87 1.885 12.063 1.516 1.00 63.32 C ATOM 0 H VAL A 87 -0.106 11.250 -0.304 1.00 35.41 H new ATOM 0 HA VAL A 87 1.194 13.631 -1.480 1.00 31.01 H new ATOM 0 HB VAL A 87 3.077 13.110 0.057 1.00 14.14 H new ATOM 0 HG11 VAL A 87 2.192 14.681 1.829 1.00 44.40 H new ATOM 0 HG12 VAL A 87 1.783 15.222 0.183 1.00 44.40 H new ATOM 0 HG13 VAL A 87 0.551 14.427 1.191 1.00 44.40 H new ATOM 0 HG21 VAL A 87 2.469 12.385 2.378 1.00 63.32 H new ATOM 0 HG22 VAL A 87 0.835 11.986 1.798 1.00 63.32 H new ATOM 0 HG23 VAL A 87 2.243 11.090 1.178 1.00 63.32 H new ATOM 1414 N ASP A 88 2.977 11.971 -2.435 1.00 43.24 N ATOM 1415 CA ASP A 88 3.794 11.093 -3.276 1.00 34.51 C ATOM 1416 C ASP A 88 5.049 10.632 -2.503 1.00 44.43 C ATOM 1417 O ASP A 88 5.228 10.970 -1.327 1.00 25.15 O ATOM 1418 CB ASP A 88 4.106 11.786 -4.626 1.00 64.24 C ATOM 1419 CG ASP A 88 5.185 12.874 -4.591 1.00 31.52 C ATOM 1420 OD1 ASP A 88 5.481 13.460 -5.655 1.00 45.23 O ATOM 1421 OD2 ASP A 88 5.727 13.157 -3.507 1.00 71.20 O ATOM 0 H ASP A 88 3.315 12.933 -2.442 1.00 43.24 H new ATOM 0 HA ASP A 88 3.241 10.186 -3.522 1.00 34.51 H new ATOM 0 HB2 ASP A 88 4.412 11.022 -5.341 1.00 64.24 H new ATOM 0 HB3 ASP A 88 3.185 12.228 -5.006 1.00 64.24 H new ATOM 1426 N ILE A 89 5.927 9.851 -3.138 1.00 30.33 N ATOM 1427 CA ILE A 89 7.184 9.335 -2.569 1.00 34.40 C ATOM 1428 C ILE A 89 8.172 10.451 -2.208 1.00 50.44 C ATOM 1429 O ILE A 89 9.091 10.208 -1.434 1.00 44.45 O ATOM 1430 CB ILE A 89 7.886 8.342 -3.529 1.00 24.45 C ATOM 1431 CG1 ILE A 89 8.095 8.978 -4.919 1.00 14.43 C ATOM 1432 CG2 ILE A 89 7.115 7.025 -3.657 1.00 33.42 C ATOM 1433 CD1 ILE A 89 9.088 8.236 -5.804 1.00 13.34 C ATOM 0 H ILE A 89 5.780 9.546 -4.100 1.00 30.33 H new ATOM 0 HA ILE A 89 6.894 8.817 -1.655 1.00 34.40 H new ATOM 0 HB ILE A 89 8.860 8.113 -3.096 1.00 24.45 H new ATOM 0 HG12 ILE A 89 7.134 9.026 -5.432 1.00 14.43 H new ATOM 0 HG13 ILE A 89 8.439 10.004 -4.788 1.00 14.43 H new ATOM 0 HG21 ILE A 89 7.643 6.359 -4.339 1.00 33.42 H new ATOM 0 HG22 ILE A 89 7.036 6.553 -2.678 1.00 33.42 H new ATOM 0 HG23 ILE A 89 6.116 7.224 -4.045 1.00 33.42 H new ATOM 0 HD11 ILE A 89 9.176 8.749 -6.762 1.00 13.34 H new ATOM 0 HD12 ILE A 89 10.062 8.210 -5.316 1.00 13.34 H new ATOM 0 HD13 ILE A 89 8.738 7.217 -5.969 1.00 13.34 H new ATOM 1445 N TYR A 90 8.020 11.645 -2.780 1.00 22.14 N ATOM 1446 CA TYR A 90 8.842 12.821 -2.524 1.00 4.41 C ATOM 1447 C TYR A 90 8.171 13.658 -1.415 1.00 21.21 C ATOM 1448 O TYR A 90 8.711 14.672 -0.967 1.00 60.12 O ATOM 1449 CB TYR A 90 8.964 13.647 -3.812 1.00 1.11 C ATOM 1450 CG TYR A 90 9.804 13.055 -4.925 1.00 44.32 C ATOM 1451 CD1 TYR A 90 9.230 12.216 -5.903 1.00 53.12 C ATOM 1452 CD2 TYR A 90 11.159 13.416 -5.026 1.00 63.40 C ATOM 1453 CE1 TYR A 90 10.015 11.714 -6.957 1.00 52.41 C ATOM 1454 CE2 TYR A 90 11.938 12.948 -6.095 1.00 34.12 C ATOM 1455 CZ TYR A 90 11.373 12.088 -7.059 1.00 21.10 C ATOM 1456 OH TYR A 90 12.143 11.655 -8.089 1.00 41.20 O ATOM 0 H TYR A 90 7.286 11.824 -3.465 1.00 22.14 H new ATOM 0 HA TYR A 90 9.840 12.524 -2.203 1.00 4.41 H new ATOM 0 HB2 TYR A 90 7.960 13.822 -4.200 1.00 1.11 H new ATOM 0 HB3 TYR A 90 9.380 14.621 -3.553 1.00 1.11 H new ATOM 0 HD1 TYR A 90 8.183 11.958 -5.842 1.00 53.12 H new ATOM 0 HD2 TYR A 90 11.602 14.056 -4.278 1.00 63.40 H new ATOM 0 HE1 TYR A 90 9.581 11.045 -7.685 1.00 52.41 H new ATOM 0 HE2 TYR A 90 12.972 13.247 -6.180 1.00 34.12 H new ATOM 0 HH TYR A 90 13.050 12.015 -7.993 1.00 41.20 H new ATOM 1466 N GLY A 91 7.011 13.231 -0.906 1.00 62.14 N ATOM 1467 CA GLY A 91 6.262 13.915 0.125 1.00 54.43 C ATOM 1468 C GLY A 91 5.472 15.095 -0.439 1.00 41.14 C ATOM 1469 O GLY A 91 4.897 15.835 0.355 1.00 2.53 O ATOM 0 H GLY A 91 6.562 12.370 -1.218 1.00 62.14 H new ATOM 0 HA2 GLY A 91 5.578 13.214 0.603 1.00 54.43 H new ATOM 0 HA3 GLY A 91 6.945 14.270 0.896 1.00 54.43 H new ATOM 1473 N ASN A 92 5.467 15.319 -1.758 1.00 44.11 N ATOM 1474 CA ASN A 92 4.737 16.411 -2.380 1.00 42.13 C ATOM 1475 C ASN A 92 3.259 16.094 -2.308 1.00 62.32 C ATOM 1476 O ASN A 92 2.838 14.974 -2.617 1.00 14.24 O ATOM 1477 CB ASN A 92 5.106 16.572 -3.859 1.00 13.12 C ATOM 1478 CG ASN A 92 6.557 16.923 -4.087 1.00 70.01 C ATOM 1479 OD1 ASN A 92 7.059 17.893 -3.532 1.00 24.33 O ATOM 1480 ND2 ASN A 92 7.238 16.140 -4.899 1.00 51.13 N ATOM 0 H ASN A 92 5.977 14.738 -2.423 1.00 44.11 H new ATOM 0 HA ASN A 92 4.988 17.332 -1.854 1.00 42.13 H new ATOM 0 HB2 ASN A 92 4.879 15.644 -4.384 1.00 13.12 H new ATOM 0 HB3 ASN A 92 4.480 17.349 -4.298 1.00 13.12 H new ATOM 0 HD21 ASN A 92 8.222 16.332 -5.086 1.00 51.13 H new ATOM 0 HD22 ASN A 92 6.781 15.342 -5.341 1.00 51.13 H new ATOM 1487 N GLU A 93 2.456 17.090 -1.968 1.00 54.24 N ATOM 1488 CA GLU A 93 1.025 16.967 -1.843 1.00 43.23 C ATOM 1489 C GLU A 93 0.328 16.792 -3.186 1.00 45.22 C ATOM 1490 O GLU A 93 0.719 17.367 -4.207 1.00 72.00 O ATOM 1491 CB GLU A 93 0.521 18.248 -1.189 1.00 32.42 C ATOM 1492 CG GLU A 93 0.616 18.211 0.329 1.00 15.42 C ATOM 1493 CD GLU A 93 0.005 19.486 0.895 1.00 1.21 C ATOM 1494 OE1 GLU A 93 -1.235 19.499 1.083 1.00 31.10 O ATOM 1495 OE2 GLU A 93 0.739 20.470 1.132 1.00 50.20 O ATOM 0 H GLU A 93 2.798 18.030 -1.767 1.00 54.24 H new ATOM 0 HA GLU A 93 0.801 16.079 -1.252 1.00 43.23 H new ATOM 0 HB2 GLU A 93 1.098 19.093 -1.564 1.00 32.42 H new ATOM 0 HB3 GLU A 93 -0.516 18.415 -1.480 1.00 32.42 H new ATOM 0 HG2 GLU A 93 0.092 17.338 0.718 1.00 15.42 H new ATOM 0 HG3 GLU A 93 1.657 18.123 0.639 1.00 15.42 H new ATOM 1502 N VAL A 94 -0.729 16.000 -3.127 1.00 0.32 N ATOM 1503 CA VAL A 94 -1.678 15.612 -4.150 1.00 53.22 C ATOM 1504 C VAL A 94 -3.059 15.969 -3.566 1.00 1.40 C ATOM 1505 O VAL A 94 -3.173 16.464 -2.434 1.00 60.03 O ATOM 1506 CB VAL A 94 -1.491 14.198 -4.744 1.00 21.45 C ATOM 1507 CG1 VAL A 94 -0.107 14.006 -5.370 1.00 10.34 C ATOM 1508 CG2 VAL A 94 -1.697 13.071 -3.749 1.00 31.53 C ATOM 0 H VAL A 94 -0.970 15.557 -2.240 1.00 0.32 H new ATOM 0 HA VAL A 94 -1.520 16.162 -5.078 1.00 53.22 H new ATOM 0 HB VAL A 94 -2.270 14.141 -5.504 1.00 21.45 H new ATOM 0 HG11 VAL A 94 -0.027 12.996 -5.773 1.00 10.34 H new ATOM 0 HG12 VAL A 94 0.032 14.729 -6.173 1.00 10.34 H new ATOM 0 HG13 VAL A 94 0.660 14.156 -4.610 1.00 10.34 H new ATOM 0 HG21 VAL A 94 -1.547 12.113 -4.248 1.00 31.53 H new ATOM 0 HG22 VAL A 94 -0.982 13.171 -2.933 1.00 31.53 H new ATOM 0 HG23 VAL A 94 -2.711 13.118 -3.351 1.00 31.53 H new ATOM 1518 N ASP A 95 -4.124 15.712 -4.314 1.00 22.03 N ATOM 1519 CA ASP A 95 -5.472 16.079 -3.908 1.00 23.12 C ATOM 1520 C ASP A 95 -6.075 15.099 -2.874 1.00 34.31 C ATOM 1521 O ASP A 95 -5.429 14.137 -2.424 1.00 24.35 O ATOM 1522 CB ASP A 95 -6.264 16.160 -5.218 1.00 51.24 C ATOM 1523 CG ASP A 95 -7.640 16.778 -5.036 1.00 73.44 C ATOM 1524 OD1 ASP A 95 -8.620 16.011 -4.934 1.00 55.35 O ATOM 1525 OD2 ASP A 95 -7.738 18.023 -4.976 1.00 14.14 O ATOM 0 H ASP A 95 -4.077 15.243 -5.219 1.00 22.03 H new ATOM 0 HA ASP A 95 -5.495 17.030 -3.377 1.00 23.12 H new ATOM 0 HB2 ASP A 95 -5.700 16.747 -5.943 1.00 51.24 H new ATOM 0 HB3 ASP A 95 -6.373 15.159 -5.634 1.00 51.24 H new ATOM 1530 N VAL A 96 -7.329 15.321 -2.465 1.00 10.14 N ATOM 1531 CA VAL A 96 -8.005 14.547 -1.433 1.00 5.35 C ATOM 1532 C VAL A 96 -9.164 13.687 -1.933 1.00 61.01 C ATOM 1533 O VAL A 96 -9.733 13.919 -2.997 1.00 31.43 O ATOM 1534 CB VAL A 96 -8.536 15.544 -0.364 1.00 41.34 C ATOM 1535 CG1 VAL A 96 -7.592 16.696 0.017 1.00 5.15 C ATOM 1536 CG2 VAL A 96 -9.862 16.222 -0.752 1.00 52.31 C ATOM 0 H VAL A 96 -7.911 16.063 -2.855 1.00 10.14 H new ATOM 0 HA VAL A 96 -7.273 13.846 -1.032 1.00 5.35 H new ATOM 0 HB VAL A 96 -8.651 14.870 0.485 1.00 41.34 H new ATOM 0 HG11 VAL A 96 -8.070 17.324 0.769 1.00 5.15 H new ATOM 0 HG12 VAL A 96 -6.665 16.289 0.420 1.00 5.15 H new ATOM 0 HG13 VAL A 96 -7.371 17.293 -0.868 1.00 5.15 H new ATOM 0 HG21 VAL A 96 -10.169 16.903 0.042 1.00 52.31 H new ATOM 0 HG22 VAL A 96 -9.727 16.782 -1.678 1.00 52.31 H new ATOM 0 HG23 VAL A 96 -10.631 15.463 -0.896 1.00 52.31 H new ATOM 1546 N VAL A 97 -9.523 12.710 -1.106 1.00 54.22 N ATOM 1547 CA VAL A 97 -10.621 11.766 -1.351 1.00 60.14 C ATOM 1548 C VAL A 97 -11.946 12.365 -0.852 1.00 33.31 C ATOM 1549 O VAL A 97 -11.939 13.023 0.189 1.00 25.03 O ATOM 1550 CB VAL A 97 -10.330 10.448 -0.601 1.00 24.34 C ATOM 1551 CG1 VAL A 97 -11.322 9.329 -0.944 1.00 63.12 C ATOM 1552 CG2 VAL A 97 -8.923 9.942 -0.931 1.00 53.52 C ATOM 0 H VAL A 97 -9.047 12.544 -0.219 1.00 54.22 H new ATOM 0 HA VAL A 97 -10.702 11.570 -2.420 1.00 60.14 H new ATOM 0 HB VAL A 97 -10.426 10.684 0.459 1.00 24.34 H new ATOM 0 HG11 VAL A 97 -11.064 8.430 -0.385 1.00 63.12 H new ATOM 0 HG12 VAL A 97 -12.331 9.644 -0.679 1.00 63.12 H new ATOM 0 HG13 VAL A 97 -11.277 9.118 -2.012 1.00 63.12 H new ATOM 0 HG21 VAL A 97 -8.735 9.012 -0.394 1.00 53.52 H new ATOM 0 HG22 VAL A 97 -8.843 9.764 -2.003 1.00 53.52 H new ATOM 0 HG23 VAL A 97 -8.188 10.689 -0.631 1.00 53.52 H new ATOM 1562 N THR A 98 -13.061 12.130 -1.550 1.00 72.11 N ATOM 1563 CA THR A 98 -14.393 12.609 -1.176 1.00 54.33 C ATOM 1564 C THR A 98 -15.007 11.716 -0.081 1.00 54.44 C ATOM 1565 O THR A 98 -14.604 10.557 0.064 1.00 31.23 O ATOM 1566 CB THR A 98 -15.306 12.589 -2.420 1.00 2.23 C ATOM 1567 OG1 THR A 98 -15.119 11.385 -3.141 1.00 41.50 O ATOM 1568 CG2 THR A 98 -15.044 13.786 -3.333 1.00 15.01 C ATOM 0 H THR A 98 -13.061 11.587 -2.413 1.00 72.11 H new ATOM 0 HA THR A 98 -14.304 13.624 -0.789 1.00 54.33 H new ATOM 0 HB THR A 98 -16.338 12.651 -2.074 1.00 2.23 H new ATOM 0 HG1 THR A 98 -15.704 11.381 -3.928 1.00 41.50 H new ATOM 0 HG21 THR A 98 -15.706 13.736 -4.197 1.00 15.01 H new ATOM 0 HG22 THR A 98 -15.232 14.709 -2.785 1.00 15.01 H new ATOM 0 HG23 THR A 98 -14.007 13.768 -3.669 1.00 15.01 H new ATOM 1576 N PRO A 99 -16.038 12.186 0.652 1.00 4.12 N ATOM 1577 CA PRO A 99 -16.686 11.404 1.704 1.00 24.33 C ATOM 1578 C PRO A 99 -17.269 10.080 1.200 1.00 73.31 C ATOM 1579 O PRO A 99 -17.225 9.083 1.922 1.00 55.34 O ATOM 1580 CB PRO A 99 -17.745 12.323 2.323 1.00 5.32 C ATOM 1581 CG PRO A 99 -17.965 13.421 1.284 1.00 34.31 C ATOM 1582 CD PRO A 99 -16.608 13.526 0.597 1.00 74.35 C ATOM 0 HA PRO A 99 -15.957 11.091 2.452 1.00 24.33 H new ATOM 0 HB2 PRO A 99 -18.668 11.781 2.527 1.00 5.32 H new ATOM 0 HB3 PRO A 99 -17.403 12.738 3.271 1.00 5.32 H new ATOM 0 HG2 PRO A 99 -18.754 13.157 0.580 1.00 34.31 H new ATOM 0 HG3 PRO A 99 -18.255 14.363 1.749 1.00 34.31 H new ATOM 0 HD2 PRO A 99 -16.715 13.865 -0.433 1.00 74.35 H new ATOM 0 HD3 PRO A 99 -15.966 14.246 1.104 1.00 74.35 H new ATOM 1590 N GLU A 100 -17.806 10.052 -0.023 1.00 2.31 N ATOM 1591 CA GLU A 100 -18.380 8.845 -0.608 1.00 43.14 C ATOM 1592 C GLU A 100 -17.288 7.802 -0.844 1.00 54.33 C ATOM 1593 O GLU A 100 -17.392 6.653 -0.415 1.00 40.35 O ATOM 1594 CB GLU A 100 -19.072 9.190 -1.943 1.00 11.32 C ATOM 1595 CG GLU A 100 -20.596 9.263 -1.790 1.00 52.04 C ATOM 1596 CD GLU A 100 -21.209 7.903 -1.455 1.00 11.14 C ATOM 1597 OE1 GLU A 100 -21.495 7.125 -2.396 1.00 2.41 O ATOM 1598 OE2 GLU A 100 -21.390 7.612 -0.254 1.00 70.44 O ATOM 0 H GLU A 100 -17.853 10.868 -0.633 1.00 2.31 H new ATOM 0 HA GLU A 100 -19.116 8.434 0.083 1.00 43.14 H new ATOM 0 HB2 GLU A 100 -18.697 10.145 -2.311 1.00 11.32 H new ATOM 0 HB3 GLU A 100 -18.817 8.438 -2.690 1.00 11.32 H new ATOM 0 HG2 GLU A 100 -20.847 9.976 -1.005 1.00 52.04 H new ATOM 0 HG3 GLU A 100 -21.035 9.640 -2.714 1.00 52.04 H new ATOM 1605 N GLN A 101 -16.210 8.208 -1.509 1.00 24.22 N ATOM 1606 CA GLN A 101 -15.107 7.314 -1.817 1.00 75.32 C ATOM 1607 C GLN A 101 -14.414 6.847 -0.536 1.00 71.43 C ATOM 1608 O GLN A 101 -13.940 5.712 -0.474 1.00 53.14 O ATOM 1609 CB GLN A 101 -14.179 8.007 -2.822 1.00 13.30 C ATOM 1610 CG GLN A 101 -14.911 8.344 -4.138 1.00 64.42 C ATOM 1611 CD GLN A 101 -15.240 7.106 -4.962 1.00 50.11 C ATOM 1612 OE1 GLN A 101 -16.174 6.362 -4.670 1.00 11.53 O ATOM 1613 NE2 GLN A 101 -14.497 6.833 -6.015 1.00 52.31 N ATOM 0 H GLN A 101 -16.080 9.162 -1.846 1.00 24.22 H new ATOM 0 HA GLN A 101 -15.466 6.400 -2.290 1.00 75.32 H new ATOM 0 HB2 GLN A 101 -13.784 8.922 -2.381 1.00 13.30 H new ATOM 0 HB3 GLN A 101 -13.327 7.362 -3.035 1.00 13.30 H new ATOM 0 HG2 GLN A 101 -15.833 8.879 -3.909 1.00 64.42 H new ATOM 0 HG3 GLN A 101 -14.291 9.016 -4.732 1.00 64.42 H new ATOM 0 HE21 GLN A 101 -13.720 7.446 -6.264 1.00 52.31 H new ATOM 0 HE22 GLN A 101 -14.698 6.009 -6.582 1.00 52.31 H new ATOM 1622 N ALA A 102 -14.380 7.686 0.502 1.00 53.12 N ATOM 1623 CA ALA A 102 -13.773 7.327 1.769 1.00 50.23 C ATOM 1624 C ALA A 102 -14.595 6.228 2.451 1.00 50.21 C ATOM 1625 O ALA A 102 -14.003 5.245 2.904 1.00 24.50 O ATOM 1626 CB ALA A 102 -13.634 8.563 2.659 1.00 64.22 C ATOM 0 H ALA A 102 -14.773 8.627 0.480 1.00 53.12 H new ATOM 0 HA ALA A 102 -12.772 6.935 1.592 1.00 50.23 H new ATOM 0 HB1 ALA A 102 -13.177 8.279 3.607 1.00 64.22 H new ATOM 0 HB2 ALA A 102 -13.007 9.302 2.160 1.00 64.22 H new ATOM 0 HB3 ALA A 102 -14.619 8.990 2.845 1.00 64.22 H new ATOM 1632 N LYS A 103 -15.929 6.376 2.518 1.00 14.31 N ATOM 1633 CA LYS A 103 -16.812 5.397 3.155 1.00 63.42 C ATOM 1634 C LYS A 103 -16.948 4.095 2.382 1.00 43.13 C ATOM 1635 O LYS A 103 -17.057 3.059 3.029 1.00 22.52 O ATOM 1636 CB LYS A 103 -18.180 6.001 3.501 1.00 12.24 C ATOM 1637 CG LYS A 103 -19.156 6.193 2.334 1.00 74.33 C ATOM 1638 CD LYS A 103 -20.481 6.789 2.812 1.00 54.45 C ATOM 1639 CE LYS A 103 -20.331 8.272 3.156 1.00 42.00 C ATOM 1640 NZ LYS A 103 -21.544 8.828 3.789 1.00 63.32 N ATOM 0 H LYS A 103 -16.421 7.181 2.130 1.00 14.31 H new ATOM 0 HA LYS A 103 -16.320 5.129 4.090 1.00 63.42 H new ATOM 0 HB2 LYS A 103 -18.657 5.362 4.244 1.00 12.24 H new ATOM 0 HB3 LYS A 103 -18.016 6.970 3.972 1.00 12.24 H new ATOM 0 HG2 LYS A 103 -18.708 6.848 1.586 1.00 74.33 H new ATOM 0 HG3 LYS A 103 -19.340 5.234 1.849 1.00 74.33 H new ATOM 0 HD2 LYS A 103 -21.237 6.668 2.037 1.00 54.45 H new ATOM 0 HD3 LYS A 103 -20.832 6.244 3.688 1.00 54.45 H new ATOM 0 HE2 LYS A 103 -19.482 8.403 3.827 1.00 42.00 H new ATOM 0 HE3 LYS A 103 -20.109 8.832 2.248 1.00 42.00 H new ATOM 0 HZ1 LYS A 103 -21.394 9.835 4.003 1.00 63.32 H new ATOM 0 HZ2 LYS A 103 -22.351 8.729 3.140 1.00 63.32 H new ATOM 0 HZ3 LYS A 103 -21.743 8.313 4.670 1.00 63.32 H new ATOM 1654 N TYR A 104 -16.823 4.102 1.048 1.00 45.22 N ATOM 1655 CA TYR A 104 -16.944 2.918 0.186 1.00 21.42 C ATOM 1656 C TYR A 104 -16.007 1.805 0.648 1.00 23.43 C ATOM 1657 O TYR A 104 -16.295 0.620 0.454 1.00 32.20 O ATOM 1658 CB TYR A 104 -16.716 3.285 -1.292 1.00 24.44 C ATOM 1659 CG TYR A 104 -17.969 3.099 -2.122 1.00 61.23 C ATOM 1660 CD1 TYR A 104 -18.774 4.206 -2.437 1.00 13.25 C ATOM 1661 CD2 TYR A 104 -18.367 1.811 -2.531 1.00 73.05 C ATOM 1662 CE1 TYR A 104 -19.964 4.032 -3.159 1.00 53.23 C ATOM 1663 CE2 TYR A 104 -19.554 1.631 -3.266 1.00 43.42 C ATOM 1664 CZ TYR A 104 -20.361 2.745 -3.590 1.00 32.44 C ATOM 1665 OH TYR A 104 -21.468 2.582 -4.366 1.00 52.31 O ATOM 0 H TYR A 104 -16.629 4.955 0.524 1.00 45.22 H new ATOM 0 HA TYR A 104 -17.962 2.538 0.271 1.00 21.42 H new ATOM 0 HB2 TYR A 104 -16.386 4.321 -1.361 1.00 24.44 H new ATOM 0 HB3 TYR A 104 -15.916 2.667 -1.700 1.00 24.44 H new ATOM 0 HD1 TYR A 104 -18.476 5.195 -2.122 1.00 13.25 H new ATOM 0 HD2 TYR A 104 -17.757 0.956 -2.279 1.00 73.05 H new ATOM 0 HE1 TYR A 104 -20.582 4.888 -3.388 1.00 53.23 H new ATOM 0 HE2 TYR A 104 -19.848 0.641 -3.582 1.00 43.42 H new ATOM 0 HH TYR A 104 -21.589 1.631 -4.568 1.00 52.31 H new ATOM 1675 N ALA A 105 -14.905 2.177 1.294 1.00 13.10 N ATOM 1676 CA ALA A 105 -13.903 1.296 1.849 1.00 73.24 C ATOM 1677 C ALA A 105 -14.514 0.247 2.791 1.00 1.22 C ATOM 1678 O ALA A 105 -13.933 -0.826 2.945 1.00 73.22 O ATOM 1679 CB ALA A 105 -12.900 2.162 2.594 1.00 71.43 C ATOM 0 H ALA A 105 -14.683 3.160 1.449 1.00 13.10 H new ATOM 0 HA ALA A 105 -13.421 0.740 1.045 1.00 73.24 H new ATOM 0 HB1 ALA A 105 -12.125 1.530 3.028 1.00 71.43 H new ATOM 0 HB2 ALA A 105 -12.445 2.870 1.901 1.00 71.43 H new ATOM 0 HB3 ALA A 105 -13.410 2.708 3.388 1.00 71.43 H new ATOM 1685 N TYR A 106 -15.646 0.544 3.446 1.00 42.20 N ATOM 1686 CA TYR A 106 -16.307 -0.373 4.369 1.00 12.05 C ATOM 1687 C TYR A 106 -16.590 -1.722 3.694 1.00 71.43 C ATOM 1688 O TYR A 106 -16.392 -2.762 4.323 1.00 2.11 O ATOM 1689 CB TYR A 106 -17.590 0.263 4.936 1.00 35.23 C ATOM 1690 CG TYR A 106 -18.863 -0.061 4.166 1.00 25.14 C ATOM 1691 CD1 TYR A 106 -19.098 0.494 2.892 1.00 4.13 C ATOM 1692 CD2 TYR A 106 -19.789 -0.974 4.707 1.00 50.23 C ATOM 1693 CE1 TYR A 106 -20.274 0.185 2.190 1.00 64.32 C ATOM 1694 CE2 TYR A 106 -20.953 -1.313 3.998 1.00 63.25 C ATOM 1695 CZ TYR A 106 -21.202 -0.723 2.740 1.00 12.43 C ATOM 1696 OH TYR A 106 -22.341 -1.014 2.059 1.00 3.43 O ATOM 0 H TYR A 106 -16.128 1.437 3.345 1.00 42.20 H new ATOM 0 HA TYR A 106 -15.636 -0.566 5.206 1.00 12.05 H new ATOM 0 HB2 TYR A 106 -17.714 -0.064 5.968 1.00 35.23 H new ATOM 0 HB3 TYR A 106 -17.462 1.345 4.958 1.00 35.23 H new ATOM 0 HD1 TYR A 106 -18.370 1.160 2.454 1.00 4.13 H new ATOM 0 HD2 TYR A 106 -19.603 -1.417 5.674 1.00 50.23 H new ATOM 0 HE1 TYR A 106 -20.467 0.642 1.231 1.00 64.32 H new ATOM 0 HE2 TYR A 106 -21.654 -2.022 4.413 1.00 63.25 H new ATOM 0 HH TYR A 106 -22.874 -1.657 2.572 1.00 3.43 H new ATOM 1706 N GLN A 107 -16.968 -1.724 2.406 1.00 63.35 N ATOM 1707 CA GLN A 107 -17.249 -2.935 1.644 1.00 60.23 C ATOM 1708 C GLN A 107 -16.023 -3.841 1.649 1.00 4.32 C ATOM 1709 O GLN A 107 -16.123 -5.050 1.849 1.00 73.22 O ATOM 1710 CB GLN A 107 -17.580 -2.599 0.182 1.00 32.14 C ATOM 1711 CG GLN A 107 -19.058 -2.282 -0.089 1.00 65.11 C ATOM 1712 CD GLN A 107 -19.572 -3.188 -1.207 1.00 72.43 C ATOM 1713 OE1 GLN A 107 -20.299 -4.152 -0.963 1.00 4.50 O ATOM 1714 NE2 GLN A 107 -19.105 -2.975 -2.428 1.00 13.32 N ATOM 0 H GLN A 107 -17.087 -0.868 1.864 1.00 63.35 H new ATOM 0 HA GLN A 107 -18.101 -3.431 2.108 1.00 60.23 H new ATOM 0 HB2 GLN A 107 -16.978 -1.744 -0.124 1.00 32.14 H new ATOM 0 HB3 GLN A 107 -17.283 -3.439 -0.445 1.00 32.14 H new ATOM 0 HG2 GLN A 107 -19.646 -2.433 0.816 1.00 65.11 H new ATOM 0 HG3 GLN A 107 -19.171 -1.236 -0.372 1.00 65.11 H new ATOM 0 HE21 GLN A 107 -18.504 -2.171 -2.611 1.00 13.32 H new ATOM 0 HE22 GLN A 107 -19.346 -3.615 -3.185 1.00 13.32 H new ATOM 1723 N ARG A 108 -14.856 -3.249 1.407 1.00 32.35 N ATOM 1724 CA ARG A 108 -13.582 -3.943 1.356 1.00 31.44 C ATOM 1725 C ARG A 108 -13.199 -4.462 2.739 1.00 72.13 C ATOM 1726 O ARG A 108 -12.517 -5.479 2.832 1.00 72.32 O ATOM 1727 CB ARG A 108 -12.510 -2.991 0.808 1.00 15.11 C ATOM 1728 CG ARG A 108 -12.918 -2.152 -0.418 1.00 62.14 C ATOM 1729 CD ARG A 108 -13.220 -3.004 -1.656 1.00 61.22 C ATOM 1730 NE ARG A 108 -12.794 -2.305 -2.877 1.00 60.20 N ATOM 1731 CZ ARG A 108 -13.380 -2.322 -4.077 1.00 35.43 C ATOM 1732 NH1 ARG A 108 -14.473 -3.043 -4.307 1.00 55.40 N ATOM 1733 NH2 ARG A 108 -12.849 -1.594 -5.054 1.00 2.25 N ATOM 0 H ARG A 108 -14.774 -2.247 1.237 1.00 32.35 H new ATOM 0 HA ARG A 108 -13.664 -4.804 0.692 1.00 31.44 H new ATOM 0 HB2 ARG A 108 -12.213 -2.311 1.607 1.00 15.11 H new ATOM 0 HB3 ARG A 108 -11.630 -3.578 0.546 1.00 15.11 H new ATOM 0 HG2 ARG A 108 -13.798 -1.559 -0.169 1.00 62.14 H new ATOM 0 HG3 ARG A 108 -12.118 -1.451 -0.653 1.00 62.14 H new ATOM 0 HD2 ARG A 108 -12.706 -3.962 -1.580 1.00 61.22 H new ATOM 0 HD3 ARG A 108 -14.288 -3.218 -1.706 1.00 61.22 H new ATOM 0 HE ARG A 108 -11.949 -1.739 -2.798 1.00 60.20 H new ATOM 0 HH11 ARG A 108 -14.883 -3.600 -3.558 1.00 55.40 H new ATOM 0 HH12 ARG A 108 -14.901 -3.039 -5.233 1.00 55.40 H new ATOM 0 HH21 ARG A 108 -12.012 -1.038 -4.879 1.00 2.25 H new ATOM 0 HH22 ARG A 108 -13.279 -1.591 -5.979 1.00 2.25 H new ATOM 1747 N TYR A 109 -13.604 -3.795 3.823 1.00 12.22 N ATOM 1748 CA TYR A 109 -13.288 -4.260 5.166 1.00 55.43 C ATOM 1749 C TYR A 109 -14.088 -5.533 5.415 1.00 2.12 C ATOM 1750 O TYR A 109 -13.527 -6.560 5.775 1.00 71.04 O ATOM 1751 CB TYR A 109 -13.640 -3.182 6.204 1.00 13.30 C ATOM 1752 CG TYR A 109 -13.241 -3.509 7.635 1.00 21.51 C ATOM 1753 CD1 TYR A 109 -13.934 -4.487 8.385 1.00 71.31 C ATOM 1754 CD2 TYR A 109 -12.174 -2.814 8.232 1.00 44.43 C ATOM 1755 CE1 TYR A 109 -13.537 -4.790 9.704 1.00 34.22 C ATOM 1756 CE2 TYR A 109 -11.793 -3.099 9.553 1.00 14.24 C ATOM 1757 CZ TYR A 109 -12.454 -4.099 10.293 1.00 33.14 C ATOM 1758 OH TYR A 109 -12.016 -4.366 11.552 1.00 62.12 O ATOM 0 H TYR A 109 -14.150 -2.934 3.792 1.00 12.22 H new ATOM 0 HA TYR A 109 -12.221 -4.464 5.258 1.00 55.43 H new ATOM 0 HB2 TYR A 109 -13.158 -2.249 5.913 1.00 13.30 H new ATOM 0 HB3 TYR A 109 -14.716 -3.008 6.174 1.00 13.30 H new ATOM 0 HD1 TYR A 109 -14.773 -5.005 7.945 1.00 71.31 H new ATOM 0 HD2 TYR A 109 -11.645 -2.057 7.672 1.00 44.43 H new ATOM 0 HE1 TYR A 109 -14.061 -5.550 10.264 1.00 34.22 H new ATOM 0 HE2 TYR A 109 -10.984 -2.545 10.007 1.00 14.24 H new ATOM 0 HH TYR A 109 -11.260 -3.780 11.767 1.00 62.12 H new ATOM 1768 N GLN A 110 -15.404 -5.472 5.217 1.00 40.43 N ATOM 1769 CA GLN A 110 -16.317 -6.583 5.425 1.00 74.21 C ATOM 1770 C GLN A 110 -16.021 -7.751 4.493 1.00 65.24 C ATOM 1771 O GLN A 110 -16.316 -8.887 4.844 1.00 22.02 O ATOM 1772 CB GLN A 110 -17.790 -6.155 5.432 1.00 34.24 C ATOM 1773 CG GLN A 110 -18.317 -5.613 4.100 1.00 22.25 C ATOM 1774 CD GLN A 110 -19.734 -5.065 4.222 1.00 52.24 C ATOM 1775 OE1 GLN A 110 -20.115 -4.487 5.238 1.00 22.02 O ATOM 1776 NE2 GLN A 110 -20.564 -5.229 3.207 1.00 33.30 N ATOM 0 H GLN A 110 -15.872 -4.623 4.899 1.00 40.43 H new ATOM 0 HA GLN A 110 -16.132 -6.955 6.433 1.00 74.21 H new ATOM 0 HB2 GLN A 110 -18.399 -7.010 5.725 1.00 34.24 H new ATOM 0 HB3 GLN A 110 -17.926 -5.390 6.197 1.00 34.24 H new ATOM 0 HG2 GLN A 110 -17.654 -4.825 3.742 1.00 22.25 H new ATOM 0 HG3 GLN A 110 -18.299 -6.407 3.354 1.00 22.25 H new ATOM 0 HE21 GLN A 110 -20.250 -5.708 2.363 1.00 33.30 H new ATOM 0 HE22 GLN A 110 -21.519 -4.876 3.267 1.00 33.30 H new ATOM 1785 N GLU A 111 -15.461 -7.510 3.305 1.00 31.53 N ATOM 1786 CA GLU A 111 -15.163 -8.583 2.360 1.00 61.44 C ATOM 1787 C GLU A 111 -14.336 -9.692 3.020 1.00 44.02 C ATOM 1788 O GLU A 111 -14.662 -10.881 2.941 1.00 63.44 O ATOM 1789 CB GLU A 111 -14.469 -7.987 1.118 1.00 72.34 C ATOM 1790 CG GLU A 111 -12.934 -7.927 0.977 1.00 11.24 C ATOM 1791 CD GLU A 111 -12.323 -9.153 0.289 1.00 53.22 C ATOM 1792 OE1 GLU A 111 -12.891 -10.258 0.369 1.00 44.41 O ATOM 1793 OE2 GLU A 111 -11.257 -9.012 -0.356 1.00 52.32 O ATOM 0 H GLU A 111 -15.205 -6.579 2.977 1.00 31.53 H new ATOM 0 HA GLU A 111 -16.092 -9.053 2.038 1.00 61.44 H new ATOM 0 HB2 GLU A 111 -14.840 -8.542 0.257 1.00 72.34 H new ATOM 0 HB3 GLU A 111 -14.832 -6.964 1.018 1.00 72.34 H new ATOM 0 HG2 GLU A 111 -12.666 -7.035 0.412 1.00 11.24 H new ATOM 0 HG3 GLU A 111 -12.492 -7.821 1.968 1.00 11.24 H new ATOM 1800 N ARG A 112 -13.327 -9.255 3.765 1.00 34.51 N ATOM 1801 CA ARG A 112 -12.367 -10.097 4.497 1.00 63.44 C ATOM 1802 C ARG A 112 -12.545 -10.194 6.005 1.00 35.01 C ATOM 1803 O ARG A 112 -12.199 -11.229 6.577 1.00 3.34 O ATOM 1804 CB ARG A 112 -10.949 -9.589 4.208 1.00 45.33 C ATOM 1805 CG ARG A 112 -10.423 -10.156 2.882 1.00 50.33 C ATOM 1806 CD ARG A 112 -9.546 -11.392 3.078 1.00 33.31 C ATOM 1807 NE ARG A 112 -9.237 -11.995 1.776 1.00 61.43 N ATOM 1808 CZ ARG A 112 -8.182 -12.752 1.465 1.00 5.22 C ATOM 1809 NH1 ARG A 112 -7.287 -13.096 2.390 1.00 45.24 N ATOM 1810 NH2 ARG A 112 -8.061 -13.161 0.210 1.00 73.41 N ATOM 0 H ARG A 112 -13.141 -8.259 3.886 1.00 34.51 H new ATOM 0 HA ARG A 112 -12.554 -11.106 4.130 1.00 63.44 H new ATOM 0 HB2 ARG A 112 -10.950 -8.500 4.167 1.00 45.33 H new ATOM 0 HB3 ARG A 112 -10.283 -9.877 5.021 1.00 45.33 H new ATOM 0 HG2 ARG A 112 -11.266 -10.411 2.240 1.00 50.33 H new ATOM 0 HG3 ARG A 112 -9.850 -9.387 2.364 1.00 50.33 H new ATOM 0 HD2 ARG A 112 -8.624 -11.117 3.590 1.00 33.31 H new ATOM 0 HD3 ARG A 112 -10.058 -12.116 3.712 1.00 33.31 H new ATOM 0 HE ARG A 112 -9.903 -11.816 1.024 1.00 61.43 H new ATOM 0 HH11 ARG A 112 -7.402 -12.780 3.353 1.00 45.24 H new ATOM 0 HH12 ARG A 112 -6.487 -13.675 2.135 1.00 45.24 H new ATOM 0 HH21 ARG A 112 -8.761 -12.896 -0.483 1.00 73.41 H new ATOM 0 HH22 ARG A 112 -7.267 -13.741 -0.063 1.00 73.41 H new ATOM 1824 N TYR A 113 -13.079 -9.163 6.647 1.00 64.11 N ATOM 1825 CA TYR A 113 -13.270 -9.093 8.097 1.00 61.12 C ATOM 1826 C TYR A 113 -14.745 -9.077 8.498 1.00 31.52 C ATOM 1827 O TYR A 113 -15.078 -8.757 9.637 1.00 52.33 O ATOM 1828 CB TYR A 113 -12.479 -7.887 8.631 1.00 30.21 C ATOM 1829 CG TYR A 113 -11.061 -7.788 8.087 1.00 74.51 C ATOM 1830 CD1 TYR A 113 -10.639 -6.652 7.365 1.00 31.02 C ATOM 1831 CD2 TYR A 113 -10.199 -8.891 8.218 1.00 42.13 C ATOM 1832 CE1 TYR A 113 -9.367 -6.625 6.760 1.00 72.11 C ATOM 1833 CE2 TYR A 113 -8.940 -8.881 7.602 1.00 3.24 C ATOM 1834 CZ TYR A 113 -8.515 -7.746 6.879 1.00 50.11 C ATOM 1835 OH TYR A 113 -7.299 -7.745 6.275 1.00 44.23 O ATOM 0 H TYR A 113 -13.402 -8.326 6.162 1.00 64.11 H new ATOM 0 HA TYR A 113 -12.881 -10.000 8.560 1.00 61.12 H new ATOM 0 HB2 TYR A 113 -13.018 -6.973 8.382 1.00 30.21 H new ATOM 0 HB3 TYR A 113 -12.437 -7.946 9.719 1.00 30.21 H new ATOM 0 HD1 TYR A 113 -11.295 -5.798 7.276 1.00 31.02 H new ATOM 0 HD2 TYR A 113 -10.508 -9.750 8.796 1.00 42.13 H new ATOM 0 HE1 TYR A 113 -9.045 -5.754 6.209 1.00 72.11 H new ATOM 0 HE2 TYR A 113 -8.294 -9.743 7.681 1.00 3.24 H new ATOM 0 HH TYR A 113 -6.842 -8.592 6.459 1.00 44.23 H new ATOM 1845 N GLY A 114 -15.622 -9.403 7.557 1.00 0.02 N ATOM 1846 CA GLY A 114 -17.065 -9.481 7.704 1.00 54.45 C ATOM 1847 C GLY A 114 -17.563 -10.650 6.862 1.00 31.13 C ATOM 1848 O GLY A 114 -16.755 -11.496 6.457 1.00 65.33 O ATOM 0 H GLY A 114 -15.322 -9.635 6.610 1.00 0.02 H new ATOM 0 HA2 GLY A 114 -17.334 -9.624 8.751 1.00 54.45 H new ATOM 0 HA3 GLY A 114 -17.532 -8.551 7.379 1.00 54.45 H new