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+ -166:sc= -0.026 (180deg=-0.191) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 23 ASN : amide:sc= 0.491 X(o=0.49,f=0.00087) USER MOD Single : A 26 ASN : amide:sc= -0.0894 X(o=-0.089,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00249) USER MOD Single : A 33 ASN : amide:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 34 GLN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -157:sc= 0.0226 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.177 USER MOD Single : A 55 THR OG1 : rot 180:sc=-0.00174 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0164 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 175:sc= 1.23 USER MOD Single : A 71 SER OG : rot 14:sc= 0.294 USER MOD Single : A 73 SER OG : rot 30:sc= 0.0365 USER MOD Single : A 76 TYR OH : rot 180:sc=-0.00746 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -46:sc= -0.179 USER MOD Single : A 80 GLN : amide:sc= -1.66 K(o=-1.7,f=-3.3) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0.458 X(o=0.46,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0836 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.12) 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= -0.0232 X(o=-0.023,f=0) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 TYR OH : rot -4:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 146 N LYS A 11 8.034 -13.838 5.540 1.00 61.52 N ATOM 147 CA LYS A 11 7.299 -13.893 4.290 1.00 62.45 C ATOM 148 C LYS A 11 7.888 -12.961 3.261 1.00 73.22 C ATOM 149 O LYS A 11 7.947 -11.755 3.475 1.00 54.14 O ATOM 150 CB LYS A 11 5.818 -13.550 4.527 1.00 11.04 C ATOM 151 CG LYS A 11 5.082 -14.501 5.490 1.00 42.32 C ATOM 152 CD LYS A 11 4.991 -13.974 6.932 1.00 60.34 C ATOM 153 CE LYS A 11 4.294 -14.955 7.883 1.00 3.03 C ATOM 154 NZ LYS A 11 5.198 -15.990 8.425 1.00 14.10 N ATOM 0 HA LYS A 11 7.375 -14.910 3.905 1.00 62.45 H new ATOM 0 HB2 LYS A 11 5.753 -12.535 4.920 1.00 11.04 H new ATOM 0 HB3 LYS A 11 5.300 -13.554 3.568 1.00 11.04 H new ATOM 0 HG2 LYS A 11 4.075 -14.677 5.113 1.00 42.32 H new ATOM 0 HG3 LYS A 11 5.593 -15.464 5.496 1.00 42.32 H new ATOM 0 HD2 LYS A 11 5.995 -13.768 7.302 1.00 60.34 H new ATOM 0 HD3 LYS A 11 4.450 -13.028 6.934 1.00 60.34 H new ATOM 0 HE2 LYS A 11 3.855 -14.397 8.710 1.00 3.03 H new ATOM 0 HE3 LYS A 11 3.473 -15.440 7.355 1.00 3.03 H new ATOM 0 HZ1 LYS A 11 4.665 -16.619 9.059 1.00 14.10 H new ATOM 0 HZ2 LYS A 11 5.598 -16.546 7.642 1.00 14.10 H new ATOM 0 HZ3 LYS A 11 5.968 -15.535 8.956 1.00 14.10 H new ATOM 168 N ASP A 12 8.222 -13.518 2.103 1.00 75.35 N ATOM 169 CA ASP A 12 8.776 -12.772 0.975 1.00 2.02 C ATOM 170 C ASP A 12 7.763 -11.730 0.501 1.00 32.25 C ATOM 171 O ASP A 12 8.113 -10.656 0.016 1.00 3.11 O ATOM 172 CB ASP A 12 9.099 -13.741 -0.157 1.00 21.40 C ATOM 173 CG ASP A 12 10.389 -14.491 0.134 1.00 25.40 C ATOM 174 OD1 ASP A 12 11.475 -13.864 0.159 1.00 12.32 O ATOM 175 OD2 ASP A 12 10.285 -15.702 0.427 1.00 60.22 O ATOM 0 H ASP A 12 8.115 -14.515 1.917 1.00 75.35 H new ATOM 0 HA ASP A 12 9.688 -12.262 1.284 1.00 2.02 H new ATOM 0 HB2 ASP A 12 8.280 -14.449 -0.282 1.00 21.40 H new ATOM 0 HB3 ASP A 12 9.193 -13.194 -1.095 1.00 21.40 H new ATOM 180 N LYS A 13 6.472 -12.038 0.665 1.00 41.42 N ATOM 181 CA LYS A 13 5.392 -11.143 0.297 1.00 43.52 C ATOM 182 C LYS A 13 5.530 -9.881 1.142 1.00 5.40 C ATOM 183 O LYS A 13 5.471 -8.790 0.603 1.00 54.55 O ATOM 184 CB LYS A 13 4.024 -11.812 0.513 1.00 2.50 C ATOM 185 CG LYS A 13 3.858 -13.183 -0.168 1.00 11.32 C ATOM 186 CD LYS A 13 3.980 -13.185 -1.698 1.00 60.45 C ATOM 187 CE LYS A 13 2.790 -12.472 -2.346 1.00 22.12 C ATOM 188 NZ LYS A 13 1.528 -13.217 -2.159 1.00 75.15 N ATOM 0 H LYS A 13 6.155 -12.923 1.060 1.00 41.42 H new ATOM 0 HA LYS A 13 5.452 -10.892 -0.762 1.00 43.52 H new ATOM 0 HB2 LYS A 13 3.860 -11.932 1.584 1.00 2.50 H new ATOM 0 HB3 LYS A 13 3.246 -11.143 0.144 1.00 2.50 H new ATOM 0 HG2 LYS A 13 4.606 -13.863 0.239 1.00 11.32 H new ATOM 0 HG3 LYS A 13 2.882 -13.586 0.101 1.00 11.32 H new ATOM 0 HD2 LYS A 13 4.907 -12.693 -1.993 1.00 60.45 H new ATOM 0 HD3 LYS A 13 4.034 -14.212 -2.060 1.00 60.45 H new ATOM 0 HE2 LYS A 13 2.689 -11.475 -1.918 1.00 22.12 H new ATOM 0 HE3 LYS A 13 2.981 -12.344 -3.412 1.00 22.12 H new ATOM 0 HZ1 LYS A 13 0.803 -12.838 -2.800 1.00 75.15 H new ATOM 0 HZ2 LYS A 13 1.684 -14.223 -2.370 1.00 75.15 H new ATOM 0 HZ3 LYS A 13 1.207 -13.115 -1.175 1.00 75.15 H new ATOM 202 N LEU A 14 5.699 -10.006 2.459 1.00 61.24 N ATOM 203 CA LEU A 14 5.843 -8.835 3.307 1.00 63.34 C ATOM 204 C LEU A 14 7.221 -8.208 3.128 1.00 1.00 C ATOM 205 O LEU A 14 7.329 -6.995 3.262 1.00 24.43 O ATOM 206 CB LEU A 14 5.595 -9.201 4.779 1.00 41.35 C ATOM 207 CG LEU A 14 4.228 -9.869 5.029 1.00 0.22 C ATOM 208 CD1 LEU A 14 4.092 -10.195 6.514 1.00 20.42 C ATOM 209 CD2 LEU A 14 3.038 -9.008 4.589 1.00 64.13 C ATOM 0 H LEU A 14 5.738 -10.898 2.952 1.00 61.24 H new ATOM 0 HA LEU A 14 5.095 -8.100 3.009 1.00 63.34 H new ATOM 0 HB2 LEU A 14 6.385 -9.873 5.115 1.00 41.35 H new ATOM 0 HB3 LEU A 14 5.665 -8.298 5.386 1.00 41.35 H new ATOM 0 HG LEU A 14 4.203 -10.774 4.422 1.00 0.22 H new ATOM 0 HD11 LEU A 14 3.127 -10.668 6.696 1.00 20.42 H new ATOM 0 HD12 LEU A 14 4.891 -10.874 6.812 1.00 20.42 H new ATOM 0 HD13 LEU A 14 4.161 -9.276 7.096 1.00 20.42 H new ATOM 0 HD21 LEU A 14 2.109 -9.540 4.794 1.00 64.13 H new ATOM 0 HD22 LEU A 14 3.047 -8.067 5.139 1.00 64.13 H new ATOM 0 HD23 LEU A 14 3.111 -8.805 3.521 1.00 64.13 H new ATOM 221 N GLN A 15 8.255 -8.989 2.794 1.00 55.21 N ATOM 222 CA GLN A 15 9.613 -8.499 2.615 1.00 2.13 C ATOM 223 C GLN A 15 9.690 -7.414 1.549 1.00 60.31 C ATOM 224 O GLN A 15 10.254 -6.363 1.832 1.00 21.24 O ATOM 225 CB GLN A 15 10.572 -9.657 2.316 1.00 14.22 C ATOM 226 CG GLN A 15 12.047 -9.224 2.319 1.00 45.23 C ATOM 227 CD GLN A 15 12.664 -9.139 0.926 1.00 31.35 C ATOM 228 OE1 GLN A 15 12.572 -8.134 0.231 1.00 42.33 O ATOM 229 NE2 GLN A 15 13.309 -10.205 0.479 1.00 45.42 N ATOM 0 H GLN A 15 8.163 -9.993 2.640 1.00 55.21 H new ATOM 0 HA GLN A 15 9.925 -8.038 3.552 1.00 2.13 H new ATOM 0 HB2 GLN A 15 10.427 -10.443 3.057 1.00 14.22 H new ATOM 0 HB3 GLN A 15 10.326 -10.085 1.344 1.00 14.22 H new ATOM 0 HG2 GLN A 15 12.130 -8.251 2.803 1.00 45.23 H new ATOM 0 HG3 GLN A 15 12.622 -9.929 2.919 1.00 45.23 H new ATOM 0 HE21 GLN A 15 13.382 -11.039 1.062 1.00 45.42 H new ATOM 0 HE22 GLN A 15 13.733 -10.193 -0.449 1.00 45.42 H new ATOM 238 N VAL A 16 9.106 -7.629 0.366 1.00 42.34 N ATOM 239 CA VAL A 16 9.166 -6.613 -0.685 1.00 42.43 C ATOM 240 C VAL A 16 8.546 -5.287 -0.215 1.00 64.12 C ATOM 241 O VAL A 16 9.073 -4.226 -0.560 1.00 61.43 O ATOM 242 CB VAL A 16 8.578 -7.127 -2.016 1.00 20.11 C ATOM 243 CG1 VAL A 16 9.425 -8.266 -2.590 1.00 63.33 C ATOM 244 CG2 VAL A 16 7.144 -7.655 -1.906 1.00 3.21 C ATOM 0 H VAL A 16 8.598 -8.478 0.117 1.00 42.34 H new ATOM 0 HA VAL A 16 10.216 -6.403 -0.891 1.00 42.43 H new ATOM 0 HB VAL A 16 8.580 -6.251 -2.665 1.00 20.11 H new ATOM 0 HG11 VAL A 16 8.987 -8.608 -3.528 1.00 63.33 H new ATOM 0 HG12 VAL A 16 10.439 -7.909 -2.772 1.00 63.33 H new ATOM 0 HG13 VAL A 16 9.453 -9.092 -1.880 1.00 63.33 H new ATOM 0 HG21 VAL A 16 6.806 -7.997 -2.884 1.00 3.21 H new ATOM 0 HG22 VAL A 16 7.115 -8.486 -1.202 1.00 3.21 H new ATOM 0 HG23 VAL A 16 6.489 -6.858 -1.554 1.00 3.21 H new ATOM 254 N ILE A 17 7.460 -5.341 0.569 1.00 62.52 N ATOM 255 CA ILE A 17 6.774 -4.160 1.096 1.00 1.33 C ATOM 256 C ILE A 17 7.654 -3.509 2.175 1.00 43.02 C ATOM 257 O ILE A 17 7.812 -2.296 2.230 1.00 72.11 O ATOM 258 CB ILE A 17 5.372 -4.495 1.681 1.00 33.30 C ATOM 259 CG1 ILE A 17 4.548 -5.489 0.832 1.00 41.11 C ATOM 260 CG2 ILE A 17 4.563 -3.195 1.841 1.00 3.32 C ATOM 261 CD1 ILE A 17 3.242 -5.943 1.498 1.00 43.31 C ATOM 0 H ILE A 17 7.030 -6.220 0.857 1.00 62.52 H new ATOM 0 HA ILE A 17 6.613 -3.470 0.268 1.00 1.33 H new ATOM 0 HB ILE A 17 5.556 -4.981 2.639 1.00 33.30 H new ATOM 0 HG12 ILE A 17 4.314 -5.026 -0.126 1.00 41.11 H new ATOM 0 HG13 ILE A 17 5.160 -6.366 0.621 1.00 41.11 H new ATOM 0 HG21 ILE A 17 3.580 -3.426 2.251 1.00 3.32 H new ATOM 0 HG22 ILE A 17 5.088 -2.520 2.517 1.00 3.32 H new ATOM 0 HG23 ILE A 17 4.447 -2.716 0.869 1.00 3.32 H new ATOM 0 HD11 ILE A 17 2.721 -6.639 0.840 1.00 43.31 H new ATOM 0 HD12 ILE A 17 3.468 -6.437 2.443 1.00 43.31 H new ATOM 0 HD13 ILE A 17 2.608 -5.076 1.684 1.00 43.31 H new ATOM 273 N ASP A 18 8.236 -4.314 3.053 1.00 3.52 N ATOM 274 CA ASP A 18 9.090 -3.857 4.148 1.00 1.03 C ATOM 275 C ASP A 18 10.361 -3.186 3.617 1.00 11.03 C ATOM 276 O ASP A 18 10.852 -2.220 4.196 1.00 42.21 O ATOM 277 CB ASP A 18 9.410 -5.059 5.041 1.00 54.32 C ATOM 278 CG ASP A 18 9.797 -4.673 6.463 1.00 51.35 C ATOM 279 OD1 ASP A 18 8.972 -4.016 7.143 1.00 53.24 O ATOM 280 OD2 ASP A 18 10.789 -5.238 6.973 1.00 43.22 O ATOM 0 H ASP A 18 8.127 -5.328 3.026 1.00 3.52 H new ATOM 0 HA ASP A 18 8.569 -3.101 4.735 1.00 1.03 H new ATOM 0 HB2 ASP A 18 8.542 -5.718 5.075 1.00 54.32 H new ATOM 0 HB3 ASP A 18 10.225 -5.628 4.593 1.00 54.32 H new ATOM 285 N TRP A 19 10.865 -3.677 2.482 1.00 11.33 N ATOM 286 CA TRP A 19 12.052 -3.181 1.805 1.00 15.20 C ATOM 287 C TRP A 19 11.763 -1.795 1.238 1.00 14.13 C ATOM 288 O TRP A 19 12.496 -0.844 1.518 1.00 13.01 O ATOM 289 CB TRP A 19 12.424 -4.180 0.698 1.00 52.42 C ATOM 290 CG TRP A 19 13.486 -3.762 -0.278 1.00 11.10 C ATOM 291 CD1 TRP A 19 13.365 -2.842 -1.266 1.00 72.42 C ATOM 292 CD2 TRP A 19 14.857 -4.241 -0.362 1.00 72.43 C ATOM 293 NE1 TRP A 19 14.555 -2.726 -1.953 1.00 61.31 N ATOM 294 CE2 TRP A 19 15.514 -3.567 -1.434 1.00 25.13 C ATOM 295 CE3 TRP A 19 15.609 -5.175 0.379 1.00 40.55 C ATOM 296 CZ2 TRP A 19 16.855 -3.816 -1.755 1.00 74.22 C ATOM 297 CZ3 TRP A 19 16.964 -5.403 0.087 1.00 20.22 C ATOM 298 CH2 TRP A 19 17.577 -4.740 -0.985 1.00 63.14 C ATOM 0 H TRP A 19 10.435 -4.463 1.995 1.00 11.33 H new ATOM 0 HA TRP A 19 12.892 -3.090 2.494 1.00 15.20 H new ATOM 0 HB2 TRP A 19 12.748 -5.105 1.174 1.00 52.42 H new ATOM 0 HB3 TRP A 19 11.520 -4.411 0.135 1.00 52.42 H new ATOM 0 HD1 TRP A 19 12.468 -2.282 -1.483 1.00 72.42 H new ATOM 0 HE1 TRP A 19 14.705 -2.099 -2.743 1.00 61.31 H new ATOM 0 HE3 TRP A 19 15.137 -5.722 1.182 1.00 40.55 H new ATOM 0 HZ2 TRP A 19 17.325 -3.305 -2.582 1.00 74.22 H new ATOM 0 HZ3 TRP A 19 17.536 -6.092 0.691 1.00 20.22 H new ATOM 0 HH2 TRP A 19 18.612 -4.942 -1.220 1.00 63.14 H new ATOM 309 N LEU A 20 10.699 -1.666 0.434 1.00 52.43 N ATOM 310 CA LEU A 20 10.340 -0.382 -0.161 1.00 23.20 C ATOM 311 C LEU A 20 10.029 0.658 0.920 1.00 3.44 C ATOM 312 O LEU A 20 10.360 1.829 0.736 1.00 44.35 O ATOM 313 CB LEU A 20 9.264 -0.542 -1.243 1.00 53.01 C ATOM 314 CG LEU A 20 7.906 -1.093 -0.795 1.00 14.54 C ATOM 315 CD1 LEU A 20 6.930 -0.004 -0.350 1.00 34.54 C ATOM 316 CD2 LEU A 20 7.225 -1.888 -1.903 1.00 0.30 C ATOM 0 H LEU A 20 10.077 -2.435 0.184 1.00 52.43 H new ATOM 0 HA LEU A 20 11.202 0.017 -0.695 1.00 23.20 H new ATOM 0 HB2 LEU A 20 9.099 0.432 -1.704 1.00 53.01 H new ATOM 0 HB3 LEU A 20 9.658 -1.199 -2.018 1.00 53.01 H new ATOM 0 HG LEU A 20 8.138 -1.735 0.055 1.00 14.54 H new ATOM 0 HD11 LEU A 20 5.989 -0.461 -0.046 1.00 34.54 H new ATOM 0 HD12 LEU A 20 7.355 0.544 0.490 1.00 34.54 H new ATOM 0 HD13 LEU A 20 6.749 0.683 -1.177 1.00 34.54 H new ATOM 0 HD21 LEU A 20 6.265 -2.262 -1.546 1.00 0.30 H new ATOM 0 HD22 LEU A 20 7.065 -1.244 -2.767 1.00 0.30 H new ATOM 0 HD23 LEU A 20 7.858 -2.728 -2.189 1.00 0.30 H new ATOM 328 N ILE A 21 9.465 0.231 2.057 1.00 41.44 N ATOM 329 CA ILE A 21 9.139 1.102 3.181 1.00 32.43 C ATOM 330 C ILE A 21 10.434 1.733 3.734 1.00 4.41 C ATOM 331 O ILE A 21 10.414 2.887 4.168 1.00 12.32 O ATOM 332 CB ILE A 21 8.340 0.282 4.233 1.00 13.30 C ATOM 333 CG1 ILE A 21 6.849 0.131 3.840 1.00 53.12 C ATOM 334 CG2 ILE A 21 8.445 0.876 5.644 1.00 12.05 C ATOM 335 CD1 ILE A 21 6.095 -0.966 4.608 1.00 13.52 C ATOM 0 H ILE A 21 9.221 -0.746 2.219 1.00 41.44 H new ATOM 0 HA ILE A 21 8.502 1.932 2.874 1.00 32.43 H new ATOM 0 HB ILE A 21 8.800 -0.706 4.246 1.00 13.30 H new ATOM 0 HG12 ILE A 21 6.345 1.083 4.004 1.00 53.12 H new ATOM 0 HG13 ILE A 21 6.788 -0.083 2.773 1.00 53.12 H new ATOM 0 HG21 ILE A 21 7.869 0.265 6.340 1.00 12.05 H new ATOM 0 HG22 ILE A 21 9.490 0.893 5.955 1.00 12.05 H new ATOM 0 HG23 ILE A 21 8.051 1.892 5.641 1.00 12.05 H new ATOM 0 HD11 ILE A 21 5.060 -1.001 4.269 1.00 13.52 H new ATOM 0 HD12 ILE A 21 6.570 -1.930 4.425 1.00 13.52 H new ATOM 0 HD13 ILE A 21 6.120 -0.746 5.675 1.00 13.52 H new ATOM 347 N GLU A 22 11.541 0.984 3.808 1.00 13.05 N ATOM 348 CA GLU A 22 12.823 1.491 4.300 1.00 52.22 C ATOM 349 C GLU A 22 13.566 2.301 3.223 1.00 13.51 C ATOM 350 O GLU A 22 14.336 3.210 3.553 1.00 54.42 O ATOM 351 CB GLU A 22 13.675 0.315 4.813 1.00 41.23 C ATOM 352 CG GLU A 22 14.949 0.818 5.511 1.00 53.15 C ATOM 353 CD GLU A 22 15.682 -0.276 6.289 1.00 54.01 C ATOM 354 OE1 GLU A 22 16.384 -1.098 5.651 1.00 51.32 O ATOM 355 OE2 GLU A 22 15.597 -0.261 7.540 1.00 52.02 O ATOM 0 H GLU A 22 11.570 0.004 3.526 1.00 13.05 H new ATOM 0 HA GLU A 22 12.635 2.177 5.126 1.00 52.22 H new ATOM 0 HB2 GLU A 22 13.089 -0.287 5.508 1.00 41.23 H new ATOM 0 HB3 GLU A 22 13.945 -0.333 3.979 1.00 41.23 H new ATOM 0 HG2 GLU A 22 15.623 1.237 4.764 1.00 53.15 H new ATOM 0 HG3 GLU A 22 14.687 1.626 6.193 1.00 53.15 H new ATOM 362 N ASN A 23 13.339 1.978 1.944 1.00 43.55 N ATOM 363 CA ASN A 23 13.986 2.640 0.807 1.00 41.21 C ATOM 364 C ASN A 23 13.567 4.096 0.675 1.00 22.10 C ATOM 365 O ASN A 23 14.435 4.945 0.501 1.00 4.45 O ATOM 366 CB ASN A 23 13.708 1.897 -0.510 1.00 14.22 C ATOM 367 CG ASN A 23 14.761 0.842 -0.788 1.00 22.52 C ATOM 368 OD1 ASN A 23 15.482 0.932 -1.774 1.00 65.42 O ATOM 369 ND2 ASN A 23 14.908 -0.158 0.060 1.00 20.21 N ATOM 0 H ASN A 23 12.692 1.240 1.667 1.00 43.55 H new ATOM 0 HA ASN A 23 15.057 2.613 1.007 1.00 41.21 H new ATOM 0 HB2 ASN A 23 12.725 1.428 -0.463 1.00 14.22 H new ATOM 0 HB3 ASN A 23 13.681 2.611 -1.333 1.00 14.22 H new ATOM 0 HD21 ASN A 23 15.626 -0.864 -0.103 1.00 20.21 H new ATOM 0 HD22 ASN A 23 14.303 -0.225 0.879 1.00 20.21 H new ATOM 376 N PHE A 24 12.268 4.391 0.753 1.00 15.12 N ATOM 377 CA PHE A 24 11.764 5.758 0.658 1.00 1.35 C ATOM 378 C PHE A 24 11.109 6.104 1.998 1.00 43.52 C ATOM 379 O PHE A 24 9.903 5.943 2.175 1.00 44.33 O ATOM 380 CB PHE A 24 10.853 5.973 -0.557 1.00 23.40 C ATOM 381 CG PHE A 24 11.569 6.347 -1.848 1.00 12.13 C ATOM 382 CD1 PHE A 24 12.465 7.433 -1.903 1.00 41.45 C ATOM 383 CD2 PHE A 24 11.264 5.663 -3.033 1.00 32.32 C ATOM 384 CE1 PHE A 24 13.028 7.827 -3.131 1.00 32.43 C ATOM 385 CE2 PHE A 24 11.823 6.047 -4.262 1.00 11.11 C ATOM 386 CZ PHE A 24 12.705 7.136 -4.311 1.00 63.11 C ATOM 0 H PHE A 24 11.539 3.689 0.883 1.00 15.12 H new ATOM 0 HA PHE A 24 12.586 6.451 0.478 1.00 1.35 H new ATOM 0 HB2 PHE A 24 10.282 5.060 -0.729 1.00 23.40 H new ATOM 0 HB3 PHE A 24 10.135 6.758 -0.318 1.00 23.40 H new ATOM 0 HD1 PHE A 24 12.721 7.965 -0.999 1.00 41.45 H new ATOM 0 HD2 PHE A 24 10.585 4.824 -3.000 1.00 32.32 H new ATOM 0 HE1 PHE A 24 13.711 8.663 -3.167 1.00 32.43 H new ATOM 0 HE2 PHE A 24 11.575 5.507 -5.164 1.00 11.11 H new ATOM 0 HZ PHE A 24 13.135 7.443 -5.253 1.00 63.11 H new ATOM 396 N PRO A 25 11.885 6.614 2.965 1.00 11.52 N ATOM 397 CA PRO A 25 11.392 6.965 4.287 1.00 21.15 C ATOM 398 C PRO A 25 10.648 8.306 4.350 1.00 44.21 C ATOM 399 O PRO A 25 10.534 8.835 5.454 1.00 42.23 O ATOM 400 CB PRO A 25 12.657 6.976 5.157 1.00 54.41 C ATOM 401 CG PRO A 25 13.700 7.534 4.196 1.00 33.33 C ATOM 402 CD PRO A 25 13.321 6.851 2.892 1.00 64.23 C ATOM 0 HA PRO A 25 10.637 6.254 4.622 1.00 21.15 H new ATOM 0 HB2 PRO A 25 12.539 7.604 6.040 1.00 54.41 H new ATOM 0 HB3 PRO A 25 12.919 5.978 5.508 1.00 54.41 H new ATOM 0 HG2 PRO A 25 13.645 8.620 4.119 1.00 33.33 H new ATOM 0 HG3 PRO A 25 14.715 7.287 4.507 1.00 33.33 H new ATOM 0 HD2 PRO A 25 13.570 7.479 2.036 1.00 64.23 H new ATOM 0 HD3 PRO A 25 13.865 5.915 2.770 1.00 64.23 H new ATOM 410 N ASN A 26 10.213 8.938 3.247 1.00 21.13 N ATOM 411 CA ASN A 26 9.514 10.226 3.423 1.00 45.32 C ATOM 412 C ASN A 26 8.043 9.984 3.757 1.00 20.12 C ATOM 413 O ASN A 26 7.417 10.817 4.418 1.00 73.35 O ATOM 414 CB ASN A 26 9.649 11.156 2.209 1.00 4.40 C ATOM 415 CG ASN A 26 11.003 11.838 2.123 1.00 4.10 C ATOM 416 OD1 ASN A 26 11.098 13.060 2.165 1.00 14.54 O ATOM 417 ND2 ASN A 26 12.075 11.073 2.009 1.00 2.12 N ATOM 0 H ASN A 26 10.320 8.610 2.287 1.00 21.13 H new ATOM 0 HA ASN A 26 9.997 10.738 4.255 1.00 45.32 H new ATOM 0 HB2 ASN A 26 9.481 10.580 1.299 1.00 4.40 H new ATOM 0 HB3 ASN A 26 8.869 11.916 2.254 1.00 4.40 H new ATOM 0 HD21 ASN A 26 13.001 11.497 1.954 1.00 2.12 H new ATOM 0 HD22 ASN A 26 11.976 10.058 1.976 1.00 2.12 H new ATOM 424 N ALA A 27 7.503 8.811 3.417 1.00 74.14 N ATOM 425 CA ALA A 27 6.141 8.432 3.711 1.00 13.42 C ATOM 426 C ALA A 27 5.982 6.957 3.404 1.00 42.03 C ATOM 427 O ALA A 27 6.078 6.547 2.253 1.00 1.33 O ATOM 428 CB ALA A 27 5.234 9.195 2.738 1.00 41.52 C ATOM 0 H ALA A 27 8.023 8.089 2.918 1.00 74.14 H new ATOM 0 HA ALA A 27 5.894 8.645 4.751 1.00 13.42 H new ATOM 0 HB1 ALA A 27 4.193 8.934 2.930 1.00 41.52 H new ATOM 0 HB2 ALA A 27 5.371 10.267 2.878 1.00 41.52 H new ATOM 0 HB3 ALA A 27 5.492 8.927 1.714 1.00 41.52 H new ATOM 434 N PHE A 28 5.678 6.186 4.441 1.00 31.42 N ATOM 435 CA PHE A 28 5.422 4.751 4.439 1.00 22.34 C ATOM 436 C PHE A 28 5.101 4.328 5.879 1.00 24.10 C ATOM 437 O PHE A 28 5.352 5.107 6.802 1.00 20.33 O ATOM 438 CB PHE A 28 6.570 3.955 3.790 1.00 33.30 C ATOM 439 CG PHE A 28 6.236 3.499 2.375 1.00 20.40 C ATOM 440 CD1 PHE A 28 5.094 2.703 2.141 1.00 44.12 C ATOM 441 CD2 PHE A 28 7.015 3.925 1.281 1.00 42.54 C ATOM 442 CE1 PHE A 28 4.716 2.372 0.830 1.00 74.53 C ATOM 443 CE2 PHE A 28 6.632 3.595 -0.032 1.00 54.54 C ATOM 444 CZ PHE A 28 5.471 2.834 -0.260 1.00 13.12 C ATOM 0 H PHE A 28 5.598 6.579 5.379 1.00 31.42 H new ATOM 0 HA PHE A 28 4.561 4.519 3.812 1.00 22.34 H new ATOM 0 HB2 PHE A 28 7.468 4.572 3.767 1.00 33.30 H new ATOM 0 HB3 PHE A 28 6.797 3.084 4.405 1.00 33.30 H new ATOM 0 HD1 PHE A 28 4.508 2.347 2.975 1.00 44.12 H new ATOM 0 HD2 PHE A 28 7.909 4.507 1.451 1.00 42.54 H new ATOM 0 HE1 PHE A 28 3.842 1.760 0.659 1.00 74.53 H new ATOM 0 HE2 PHE A 28 7.231 3.927 -0.867 1.00 54.54 H new ATOM 0 HZ PHE A 28 5.162 2.606 -1.269 1.00 13.12 H new ATOM 454 N PHE A 29 4.597 3.114 6.113 1.00 4.23 N ATOM 455 CA PHE A 29 4.286 2.627 7.456 1.00 4.02 C ATOM 456 C PHE A 29 4.385 1.108 7.470 1.00 33.44 C ATOM 457 O PHE A 29 3.855 0.457 6.569 1.00 24.10 O ATOM 458 CB PHE A 29 2.869 3.027 7.870 1.00 52.51 C ATOM 459 CG PHE A 29 2.690 4.494 8.208 1.00 31.30 C ATOM 460 CD1 PHE A 29 2.119 5.375 7.271 1.00 32.53 C ATOM 461 CD2 PHE A 29 3.120 4.987 9.453 1.00 3.02 C ATOM 462 CE1 PHE A 29 1.978 6.738 7.578 1.00 5.44 C ATOM 463 CE2 PHE A 29 2.959 6.347 9.768 1.00 64.34 C ATOM 464 CZ PHE A 29 2.387 7.224 8.831 1.00 12.22 C ATOM 0 H PHE A 29 4.393 2.441 5.374 1.00 4.23 H new ATOM 0 HA PHE A 29 4.996 3.068 8.155 1.00 4.02 H new ATOM 0 HB2 PHE A 29 2.184 2.770 7.062 1.00 52.51 H new ATOM 0 HB3 PHE A 29 2.578 2.432 8.736 1.00 52.51 H new ATOM 0 HD1 PHE A 29 1.788 5.002 6.313 1.00 32.53 H new ATOM 0 HD2 PHE A 29 3.575 4.319 10.169 1.00 3.02 H new ATOM 0 HE1 PHE A 29 1.554 7.414 6.850 1.00 5.44 H new ATOM 0 HE2 PHE A 29 3.275 6.719 10.731 1.00 64.34 H new ATOM 0 HZ PHE A 29 2.262 8.269 9.073 1.00 12.22 H new ATOM 474 N LYS A 30 5.053 0.541 8.481 1.00 55.41 N ATOM 475 CA LYS A 30 5.196 -0.912 8.599 1.00 2.33 C ATOM 476 C LYS A 30 3.928 -1.547 9.162 1.00 14.12 C ATOM 477 O LYS A 30 3.358 -2.445 8.546 1.00 0.24 O ATOM 478 CB LYS A 30 6.392 -1.320 9.481 1.00 40.21 C ATOM 479 CG LYS A 30 7.777 -1.197 8.830 1.00 41.34 C ATOM 480 CD LYS A 30 8.475 0.153 9.062 1.00 3.04 C ATOM 481 CE LYS A 30 9.961 -0.025 8.685 1.00 72.24 C ATOM 482 NZ LYS A 30 10.777 1.205 8.791 1.00 41.23 N ATOM 0 H LYS A 30 5.503 1.068 9.229 1.00 55.41 H new ATOM 0 HA LYS A 30 5.375 -1.277 7.588 1.00 2.33 H new ATOM 0 HB2 LYS A 30 6.380 -0.707 10.382 1.00 40.21 H new ATOM 0 HB3 LYS A 30 6.250 -2.354 9.796 1.00 40.21 H new ATOM 0 HG2 LYS A 30 8.416 -1.992 9.213 1.00 41.34 H new ATOM 0 HG3 LYS A 30 7.675 -1.359 7.757 1.00 41.34 H new ATOM 0 HD2 LYS A 30 8.015 0.932 8.454 1.00 3.04 H new ATOM 0 HD3 LYS A 30 8.377 0.462 10.103 1.00 3.04 H new ATOM 0 HE2 LYS A 30 10.396 -0.790 9.328 1.00 72.24 H new ATOM 0 HE3 LYS A 30 10.020 -0.397 7.662 1.00 72.24 H new ATOM 0 HZ1 LYS A 30 11.759 0.995 8.520 1.00 41.23 H new ATOM 0 HZ2 LYS A 30 10.391 1.933 8.157 1.00 41.23 H new ATOM 0 HZ3 LYS A 30 10.755 1.553 9.771 1.00 41.23 H new ATOM 496 N LYS A 31 3.511 -1.135 10.362 1.00 11.53 N ATOM 497 CA LYS A 31 2.326 -1.702 11.012 1.00 72.22 C ATOM 498 C LYS A 31 1.049 -1.231 10.322 1.00 24.42 C ATOM 499 O LYS A 31 0.826 -0.025 10.217 1.00 4.42 O ATOM 500 CB LYS A 31 2.282 -1.369 12.515 1.00 14.40 C ATOM 501 CG LYS A 31 3.476 -1.908 13.318 1.00 40.31 C ATOM 502 CD LYS A 31 4.570 -0.845 13.502 1.00 72.22 C ATOM 503 CE LYS A 31 5.812 -1.385 14.216 1.00 61.34 C ATOM 504 NZ LYS A 31 6.583 -2.336 13.386 1.00 41.21 N ATOM 0 H LYS A 31 3.978 -0.409 10.905 1.00 11.53 H new ATOM 0 HA LYS A 31 2.394 -2.786 10.917 1.00 72.22 H new ATOM 0 HB2 LYS A 31 2.238 -0.286 12.634 1.00 14.40 H new ATOM 0 HB3 LYS A 31 1.362 -1.774 12.938 1.00 14.40 H new ATOM 0 HG2 LYS A 31 3.132 -2.248 14.295 1.00 40.31 H new ATOM 0 HG3 LYS A 31 3.895 -2.775 12.808 1.00 40.31 H new ATOM 0 HD2 LYS A 31 4.859 -0.456 12.526 1.00 72.22 H new ATOM 0 HD3 LYS A 31 4.165 -0.009 14.071 1.00 72.22 H new ATOM 0 HE2 LYS A 31 6.455 -0.551 14.497 1.00 61.34 H new ATOM 0 HE3 LYS A 31 5.509 -1.879 15.139 1.00 61.34 H new ATOM 0 HZ1 LYS A 31 7.430 -2.643 13.906 1.00 41.21 H new ATOM 0 HZ2 LYS A 31 5.992 -3.163 13.167 1.00 41.21 H new ATOM 0 HZ3 LYS A 31 6.870 -1.871 12.501 1.00 41.21 H new ATOM 518 N GLY A 32 0.176 -2.162 9.932 1.00 12.10 N ATOM 519 CA GLY A 32 -1.093 -1.860 9.269 1.00 23.31 C ATOM 520 C GLY A 32 -1.967 -0.918 10.095 1.00 33.53 C ATOM 521 O GLY A 32 -2.650 -0.077 9.533 1.00 22.53 O ATOM 0 H GLY A 32 0.333 -3.160 10.070 1.00 12.10 H new ATOM 0 HA2 GLY A 32 -0.894 -1.409 8.297 1.00 23.31 H new ATOM 0 HA3 GLY A 32 -1.635 -2.788 9.086 1.00 23.31 H new ATOM 525 N ASN A 33 -1.904 -0.976 11.428 1.00 20.35 N ATOM 526 CA ASN A 33 -2.718 -0.121 12.300 1.00 33.31 C ATOM 527 C ASN A 33 -2.502 1.388 12.109 1.00 0.14 C ATOM 528 O ASN A 33 -3.399 2.168 12.422 1.00 32.40 O ATOM 529 CB ASN A 33 -2.510 -0.505 13.778 1.00 60.43 C ATOM 530 CG ASN A 33 -1.482 0.360 14.500 1.00 52.31 C ATOM 531 OD1 ASN A 33 -1.823 1.062 15.441 1.00 72.35 O ATOM 532 ND2 ASN A 33 -0.235 0.370 14.059 1.00 1.23 N ATOM 0 H ASN A 33 -1.290 -1.615 11.933 1.00 20.35 H new ATOM 0 HA ASN A 33 -3.749 -0.308 12.001 1.00 33.31 H new ATOM 0 HB2 ASN A 33 -3.464 -0.432 14.300 1.00 60.43 H new ATOM 0 HB3 ASN A 33 -2.196 -1.547 13.832 1.00 60.43 H new ATOM 0 HD21 ASN A 33 0.459 0.970 14.505 1.00 1.23 H new ATOM 0 HD22 ASN A 33 0.033 -0.222 13.273 1.00 1.23 H new ATOM 539 N GLN A 34 -1.333 1.802 11.615 1.00 22.43 N ATOM 540 CA GLN A 34 -0.968 3.198 11.394 1.00 12.11 C ATOM 541 C GLN A 34 -0.773 3.533 9.918 1.00 21.31 C ATOM 542 O GLN A 34 -0.372 4.648 9.590 1.00 15.43 O ATOM 543 CB GLN A 34 0.282 3.531 12.216 1.00 45.45 C ATOM 544 CG GLN A 34 1.518 2.678 11.889 1.00 21.14 C ATOM 545 CD GLN A 34 2.773 3.075 12.666 1.00 63.21 C ATOM 546 OE1 GLN A 34 2.750 4.176 13.398 1.00 63.24 O flip ATOM 547 NE2 GLN A 34 3.789 2.384 12.598 1.00 21.31 N flip ATOM 0 H GLN A 34 -0.593 1.152 11.350 1.00 22.43 H new ATOM 0 HA GLN A 34 -1.798 3.820 11.729 1.00 12.11 H new ATOM 0 HB2 GLN A 34 0.532 4.581 12.061 1.00 45.45 H new ATOM 0 HB3 GLN A 34 0.046 3.412 13.273 1.00 45.45 H new ATOM 0 HG2 GLN A 34 1.290 1.633 12.097 1.00 21.14 H new ATOM 0 HG3 GLN A 34 1.726 2.753 10.822 1.00 21.14 H new ATOM 0 HE21 GLN A 34 3.793 1.537 12.030 1.00 21.31 H new ATOM 0 HE22 GLN A 34 4.627 2.658 13.110 1.00 21.31 H new ATOM 556 N VAL A 35 -0.997 2.559 9.037 1.00 0.40 N ATOM 557 CA VAL A 35 -0.848 2.752 7.601 1.00 33.10 C ATOM 558 C VAL A 35 -1.783 3.881 7.128 1.00 22.31 C ATOM 559 O VAL A 35 -2.792 4.162 7.775 1.00 52.23 O ATOM 560 CB VAL A 35 -1.028 1.374 6.932 1.00 11.01 C ATOM 561 CG1 VAL A 35 -2.490 0.983 6.690 1.00 13.24 C ATOM 562 CG2 VAL A 35 -0.235 1.245 5.634 1.00 15.01 C ATOM 0 H VAL A 35 -1.286 1.617 9.301 1.00 0.40 H new ATOM 0 HA VAL A 35 0.141 3.103 7.307 1.00 33.10 H new ATOM 0 HB VAL A 35 -0.625 0.671 7.661 1.00 11.01 H new ATOM 0 HG11 VAL A 35 -2.531 0.002 6.217 1.00 13.24 H new ATOM 0 HG12 VAL A 35 -3.020 0.949 7.642 1.00 13.24 H new ATOM 0 HG13 VAL A 35 -2.961 1.720 6.039 1.00 13.24 H new ATOM 0 HG21 VAL A 35 -0.398 0.256 5.205 1.00 15.01 H new ATOM 0 HG22 VAL A 35 -0.567 2.006 4.928 1.00 15.01 H new ATOM 0 HG23 VAL A 35 0.827 1.381 5.841 1.00 15.01 H new ATOM 572 N LYS A 36 -1.484 4.549 6.011 1.00 2.44 N ATOM 573 CA LYS A 36 -2.312 5.647 5.491 1.00 61.34 C ATOM 574 C LYS A 36 -2.357 5.623 3.963 1.00 5.20 C ATOM 575 O LYS A 36 -1.500 4.966 3.360 1.00 52.22 O ATOM 576 CB LYS A 36 -1.752 6.997 5.994 1.00 45.01 C ATOM 577 CG LYS A 36 -2.348 7.418 7.351 1.00 23.12 C ATOM 578 CD LYS A 36 -2.380 8.944 7.524 1.00 12.15 C ATOM 579 CE LYS A 36 -0.976 9.556 7.587 1.00 20.50 C ATOM 580 NZ LYS A 36 -1.013 11.024 7.447 1.00 11.11 N ATOM 0 H LYS A 36 -0.663 4.347 5.440 1.00 2.44 H new ATOM 0 HA LYS A 36 -3.331 5.521 5.855 1.00 61.34 H new ATOM 0 HB2 LYS A 36 -0.668 6.925 6.084 1.00 45.01 H new ATOM 0 HB3 LYS A 36 -1.960 7.770 5.255 1.00 45.01 H new ATOM 0 HG2 LYS A 36 -3.360 7.023 7.439 1.00 23.12 H new ATOM 0 HG3 LYS A 36 -1.762 6.975 8.156 1.00 23.12 H new ATOM 0 HD2 LYS A 36 -2.930 9.389 6.695 1.00 12.15 H new ATOM 0 HD3 LYS A 36 -2.922 9.192 8.436 1.00 12.15 H new ATOM 0 HE2 LYS A 36 -0.507 9.293 8.535 1.00 20.50 H new ATOM 0 HE3 LYS A 36 -0.358 9.131 6.796 1.00 20.50 H new ATOM 0 HZ1 LYS A 36 -0.045 11.402 7.495 1.00 11.11 H new ATOM 0 HZ2 LYS A 36 -1.438 11.275 6.532 1.00 11.11 H new ATOM 0 HZ3 LYS A 36 -1.582 11.432 8.216 1.00 11.11 H new ATOM 594 N PRO A 37 -3.321 6.313 3.327 1.00 35.34 N ATOM 595 CA PRO A 37 -3.416 6.355 1.879 1.00 42.13 C ATOM 596 C PRO A 37 -2.181 7.062 1.315 1.00 60.35 C ATOM 597 O PRO A 37 -1.706 8.062 1.848 1.00 61.44 O ATOM 598 CB PRO A 37 -4.744 7.050 1.564 1.00 23.30 C ATOM 599 CG PRO A 37 -4.987 7.924 2.784 1.00 23.13 C ATOM 600 CD PRO A 37 -4.386 7.110 3.927 1.00 45.13 C ATOM 0 HA PRO A 37 -3.422 5.371 1.409 1.00 42.13 H new ATOM 0 HB2 PRO A 37 -4.680 7.643 0.652 1.00 23.30 H new ATOM 0 HB3 PRO A 37 -5.549 6.330 1.420 1.00 23.30 H new ATOM 0 HG2 PRO A 37 -4.503 8.896 2.685 1.00 23.13 H new ATOM 0 HG3 PRO A 37 -6.050 8.111 2.939 1.00 23.13 H new ATOM 0 HD2 PRO A 37 -3.995 7.762 4.708 1.00 45.13 H new ATOM 0 HD3 PRO A 37 -5.138 6.472 4.391 1.00 45.13 H new ATOM 608 N LEU A 38 -1.706 6.563 0.179 1.00 22.34 N ATOM 609 CA LEU A 38 -0.532 7.037 -0.558 1.00 12.32 C ATOM 610 C LEU A 38 -0.917 7.671 -1.903 1.00 13.24 C ATOM 611 O LEU A 38 -2.083 7.591 -2.320 1.00 13.23 O ATOM 612 CB LEU A 38 0.426 5.856 -0.767 1.00 63.54 C ATOM 613 CG LEU A 38 1.063 5.314 0.528 1.00 0.52 C ATOM 614 CD1 LEU A 38 1.569 3.889 0.303 1.00 24.25 C ATOM 615 CD2 LEU A 38 2.205 6.214 1.013 1.00 45.34 C ATOM 0 H LEU A 38 -2.154 5.771 -0.282 1.00 22.34 H new ATOM 0 HA LEU A 38 -0.042 7.817 0.025 1.00 12.32 H new ATOM 0 HB2 LEU A 38 -0.116 5.047 -1.257 1.00 63.54 H new ATOM 0 HB3 LEU A 38 1.221 6.165 -1.446 1.00 63.54 H new ATOM 0 HG LEU A 38 0.297 5.306 1.303 1.00 0.52 H new ATOM 0 HD11 LEU A 38 2.018 3.513 1.222 1.00 24.25 H new ATOM 0 HD12 LEU A 38 0.735 3.248 0.017 1.00 24.25 H new ATOM 0 HD13 LEU A 38 2.315 3.889 -0.491 1.00 24.25 H new ATOM 0 HD21 LEU A 38 2.630 5.801 1.928 1.00 45.34 H new ATOM 0 HD22 LEU A 38 2.977 6.267 0.246 1.00 45.34 H new ATOM 0 HD23 LEU A 38 1.821 7.215 1.211 1.00 45.34 H new ATOM 627 N LYS A 39 0.039 8.361 -2.543 1.00 53.44 N ATOM 628 CA LYS A 39 -0.103 9.019 -3.852 1.00 53.22 C ATOM 629 C LYS A 39 -0.703 8.036 -4.869 1.00 11.44 C ATOM 630 O LYS A 39 -0.548 6.814 -4.736 1.00 0.34 O ATOM 631 CB LYS A 39 1.299 9.522 -4.283 1.00 14.33 C ATOM 632 CG LYS A 39 1.488 10.045 -5.729 1.00 43.44 C ATOM 633 CD LYS A 39 2.481 9.184 -6.528 1.00 63.51 C ATOM 634 CE LYS A 39 2.577 9.573 -8.010 1.00 40.12 C ATOM 635 NZ LYS A 39 3.229 10.879 -8.251 1.00 20.52 N ATOM 0 H LYS A 39 0.971 8.481 -2.147 1.00 53.44 H new ATOM 0 HA LYS A 39 -0.783 9.869 -3.796 1.00 53.22 H new ATOM 0 HB2 LYS A 39 1.587 10.322 -3.601 1.00 14.33 H new ATOM 0 HB3 LYS A 39 2.004 8.705 -4.132 1.00 14.33 H new ATOM 0 HG2 LYS A 39 0.525 10.056 -6.239 1.00 43.44 H new ATOM 0 HG3 LYS A 39 1.844 11.075 -5.698 1.00 43.44 H new ATOM 0 HD2 LYS A 39 3.469 9.268 -6.074 1.00 63.51 H new ATOM 0 HD3 LYS A 39 2.184 8.138 -6.454 1.00 63.51 H new ATOM 0 HE2 LYS A 39 3.130 8.799 -8.543 1.00 40.12 H new ATOM 0 HE3 LYS A 39 1.573 9.596 -8.434 1.00 40.12 H new ATOM 0 HZ1 LYS A 39 2.925 11.254 -9.172 1.00 20.52 H new ATOM 0 HZ2 LYS A 39 2.959 11.546 -7.500 1.00 20.52 H new ATOM 0 HZ3 LYS A 39 4.262 10.757 -8.250 1.00 20.52 H new ATOM 649 N ILE A 40 -1.449 8.534 -5.855 1.00 34.42 N ATOM 650 CA ILE A 40 -2.040 7.667 -6.868 1.00 34.31 C ATOM 651 C ILE A 40 -0.916 6.992 -7.665 1.00 2.41 C ATOM 652 O ILE A 40 0.101 7.624 -7.939 1.00 51.33 O ATOM 653 CB ILE A 40 -3.007 8.475 -7.755 1.00 63.12 C ATOM 654 CG1 ILE A 40 -3.847 7.591 -8.691 1.00 44.35 C ATOM 655 CG2 ILE A 40 -2.294 9.520 -8.617 1.00 12.23 C ATOM 656 CD1 ILE A 40 -4.662 6.526 -7.959 1.00 73.23 C ATOM 0 H ILE A 40 -1.656 9.526 -5.972 1.00 34.42 H new ATOM 0 HA ILE A 40 -2.632 6.879 -6.403 1.00 34.31 H new ATOM 0 HB ILE A 40 -3.662 8.974 -7.041 1.00 63.12 H new ATOM 0 HG12 ILE A 40 -4.524 8.224 -9.264 1.00 44.35 H new ATOM 0 HG13 ILE A 40 -3.185 7.102 -9.406 1.00 44.35 H new ATOM 0 HG21 ILE A 40 -3.027 10.056 -9.219 1.00 12.23 H new ATOM 0 HG22 ILE A 40 -1.768 10.225 -7.973 1.00 12.23 H new ATOM 0 HG23 ILE A 40 -1.579 9.024 -9.273 1.00 12.23 H new ATOM 0 HD11 ILE A 40 -5.229 5.941 -8.683 1.00 73.23 H new ATOM 0 HD12 ILE A 40 -3.990 5.869 -7.408 1.00 73.23 H new ATOM 0 HD13 ILE A 40 -5.349 7.008 -7.264 1.00 73.23 H new ATOM 668 N GLY A 41 -1.075 5.707 -7.998 1.00 44.52 N ATOM 669 CA GLY A 41 -0.087 4.953 -8.765 1.00 0.32 C ATOM 670 C GLY A 41 1.325 4.978 -8.174 1.00 40.11 C ATOM 671 O GLY A 41 2.280 4.771 -8.919 1.00 11.33 O ATOM 0 H GLY A 41 -1.897 5.161 -7.740 1.00 44.52 H new ATOM 0 HA2 GLY A 41 -0.418 3.917 -8.841 1.00 0.32 H new ATOM 0 HA3 GLY A 41 -0.051 5.352 -9.779 1.00 0.32 H new ATOM 675 N ILE A 42 1.472 5.167 -6.855 1.00 22.42 N ATOM 676 CA ILE A 42 2.766 5.228 -6.173 1.00 54.43 C ATOM 677 C ILE A 42 3.652 4.016 -6.480 1.00 42.41 C ATOM 678 O ILE A 42 4.869 4.164 -6.515 1.00 24.10 O ATOM 679 CB ILE A 42 2.573 5.459 -4.657 1.00 20.22 C ATOM 680 CG1 ILE A 42 3.918 5.855 -4.011 1.00 34.43 C ATOM 681 CG2 ILE A 42 1.916 4.245 -3.968 1.00 3.50 C ATOM 682 CD1 ILE A 42 3.800 6.361 -2.570 1.00 45.32 C ATOM 0 H ILE A 42 0.679 5.283 -6.224 1.00 22.42 H new ATOM 0 HA ILE A 42 3.308 6.087 -6.569 1.00 54.43 H new ATOM 0 HB ILE A 42 1.878 6.287 -4.516 1.00 20.22 H new ATOM 0 HG12 ILE A 42 4.584 4.992 -4.027 1.00 34.43 H new ATOM 0 HG13 ILE A 42 4.386 6.630 -4.619 1.00 34.43 H new ATOM 0 HG21 ILE A 42 1.799 4.450 -2.904 1.00 3.50 H new ATOM 0 HG22 ILE A 42 0.938 4.060 -4.412 1.00 3.50 H new ATOM 0 HG23 ILE A 42 2.547 3.366 -4.101 1.00 3.50 H new ATOM 0 HD11 ILE A 42 4.790 6.617 -2.192 1.00 45.32 H new ATOM 0 HD12 ILE A 42 3.162 7.245 -2.546 1.00 45.32 H new ATOM 0 HD13 ILE A 42 3.364 5.582 -1.945 1.00 45.32 H new ATOM 694 N PHE A 43 3.080 2.827 -6.719 1.00 63.23 N ATOM 695 CA PHE A 43 3.892 1.660 -7.023 1.00 55.14 C ATOM 696 C PHE A 43 4.708 1.886 -8.294 1.00 32.40 C ATOM 697 O PHE A 43 5.841 1.429 -8.368 1.00 5.02 O ATOM 698 CB PHE A 43 3.023 0.391 -7.155 1.00 52.11 C ATOM 699 CG PHE A 43 3.542 -0.615 -8.177 1.00 55.22 C ATOM 700 CD1 PHE A 43 3.122 -0.503 -9.516 1.00 0.01 C ATOM 701 CD2 PHE A 43 4.518 -1.573 -7.838 1.00 11.34 C ATOM 702 CE1 PHE A 43 3.687 -1.322 -10.509 1.00 4.13 C ATOM 703 CE2 PHE A 43 5.113 -2.365 -8.835 1.00 14.01 C ATOM 704 CZ PHE A 43 4.689 -2.246 -10.169 1.00 23.22 C ATOM 0 H PHE A 43 2.074 2.658 -6.706 1.00 63.23 H new ATOM 0 HA PHE A 43 4.581 1.509 -6.192 1.00 55.14 H new ATOM 0 HB2 PHE A 43 2.959 -0.096 -6.182 1.00 52.11 H new ATOM 0 HB3 PHE A 43 2.010 0.684 -7.432 1.00 52.11 H new ATOM 0 HD1 PHE A 43 2.361 0.216 -9.782 1.00 0.01 H new ATOM 0 HD2 PHE A 43 4.811 -1.699 -6.806 1.00 11.34 H new ATOM 0 HE1 PHE A 43 3.351 -1.241 -11.532 1.00 4.13 H new ATOM 0 HE2 PHE A 43 5.895 -3.064 -8.576 1.00 14.01 H new ATOM 0 HZ PHE A 43 5.134 -2.865 -10.934 1.00 23.22 H new ATOM 714 N ASP A 44 4.106 2.541 -9.294 1.00 25.21 N ATOM 715 CA ASP A 44 4.747 2.815 -10.576 1.00 34.20 C ATOM 716 C ASP A 44 5.918 3.781 -10.426 1.00 73.42 C ATOM 717 O ASP A 44 6.839 3.780 -11.242 1.00 33.15 O ATOM 718 CB ASP A 44 3.712 3.362 -11.569 1.00 14.32 C ATOM 719 CG ASP A 44 4.198 3.145 -12.995 1.00 24.32 C ATOM 720 OD1 ASP A 44 3.965 2.034 -13.527 1.00 1.50 O ATOM 721 OD2 ASP A 44 4.852 4.037 -13.575 1.00 4.45 O ATOM 0 H ASP A 44 3.152 2.897 -9.231 1.00 25.21 H new ATOM 0 HA ASP A 44 5.151 1.879 -10.961 1.00 34.20 H new ATOM 0 HB2 ASP A 44 2.754 2.863 -11.422 1.00 14.32 H new ATOM 0 HB3 ASP A 44 3.548 4.424 -11.389 1.00 14.32 H new ATOM 726 N ASP A 45 5.841 4.641 -9.415 1.00 12.22 N ATOM 727 CA ASP A 45 6.835 5.643 -9.060 1.00 41.25 C ATOM 728 C ASP A 45 8.006 4.991 -8.308 1.00 74.32 C ATOM 729 O ASP A 45 9.179 5.227 -8.599 1.00 11.03 O ATOM 730 CB ASP A 45 6.128 6.692 -8.175 1.00 23.44 C ATOM 731 CG ASP A 45 6.548 8.132 -8.453 1.00 2.21 C ATOM 732 OD1 ASP A 45 5.814 9.046 -8.010 1.00 23.41 O ATOM 733 OD2 ASP A 45 7.553 8.386 -9.138 1.00 53.43 O ATOM 0 H ASP A 45 5.037 4.656 -8.787 1.00 12.22 H new ATOM 0 HA ASP A 45 7.248 6.115 -9.952 1.00 41.25 H new ATOM 0 HB2 ASP A 45 5.051 6.606 -8.319 1.00 23.44 H new ATOM 0 HB3 ASP A 45 6.329 6.463 -7.129 1.00 23.44 H new ATOM 738 N LEU A 46 7.658 4.131 -7.344 1.00 43.02 N ATOM 739 CA LEU A 46 8.514 3.373 -6.433 1.00 11.32 C ATOM 740 C LEU A 46 9.284 2.240 -7.082 1.00 73.35 C ATOM 741 O LEU A 46 10.447 2.041 -6.743 1.00 3.14 O ATOM 742 CB LEU A 46 7.614 2.787 -5.325 1.00 71.31 C ATOM 743 CG LEU A 46 8.261 1.919 -4.215 1.00 24.23 C ATOM 744 CD1 LEU A 46 8.863 0.563 -4.641 1.00 72.14 C ATOM 745 CD2 LEU A 46 9.301 2.738 -3.461 1.00 31.25 C ATOM 0 H LEU A 46 6.673 3.931 -7.168 1.00 43.02 H new ATOM 0 HA LEU A 46 9.266 4.065 -6.054 1.00 11.32 H new ATOM 0 HB2 LEU A 46 7.106 3.620 -4.838 1.00 71.31 H new ATOM 0 HB3 LEU A 46 6.846 2.184 -5.809 1.00 71.31 H new ATOM 0 HG LEU A 46 7.422 1.639 -3.579 1.00 24.23 H new ATOM 0 HD11 LEU A 46 9.281 0.060 -3.769 1.00 72.14 H new ATOM 0 HD12 LEU A 46 8.083 -0.060 -5.079 1.00 72.14 H new ATOM 0 HD13 LEU A 46 9.651 0.729 -5.376 1.00 72.14 H new ATOM 0 HD21 LEU A 46 9.753 2.124 -2.682 1.00 31.25 H new ATOM 0 HD22 LEU A 46 10.073 3.072 -4.154 1.00 31.25 H new ATOM 0 HD23 LEU A 46 8.822 3.605 -3.007 1.00 31.25 H new ATOM 757 N ILE A 47 8.667 1.498 -8.009 1.00 54.33 N ATOM 758 CA ILE A 47 9.299 0.356 -8.676 1.00 13.53 C ATOM 759 C ILE A 47 10.607 0.793 -9.334 1.00 11.32 C ATOM 760 O ILE A 47 11.502 -0.027 -9.511 1.00 74.25 O ATOM 761 CB ILE A 47 8.315 -0.254 -9.702 1.00 40.42 C ATOM 762 CG1 ILE A 47 8.712 -1.666 -10.185 1.00 63.13 C ATOM 763 CG2 ILE A 47 8.073 0.721 -10.868 1.00 32.41 C ATOM 764 CD1 ILE A 47 9.479 -1.741 -11.512 1.00 20.44 C ATOM 0 H ILE A 47 7.711 1.674 -8.318 1.00 54.33 H new ATOM 0 HA ILE A 47 9.541 -0.414 -7.943 1.00 13.53 H new ATOM 0 HB ILE A 47 7.370 -0.400 -9.179 1.00 40.42 H new ATOM 0 HG12 ILE A 47 9.321 -2.133 -9.411 1.00 63.13 H new ATOM 0 HG13 ILE A 47 7.805 -2.262 -10.280 1.00 63.13 H new ATOM 0 HG21 ILE A 47 7.378 0.273 -11.579 1.00 32.41 H new ATOM 0 HG22 ILE A 47 7.651 1.650 -10.484 1.00 32.41 H new ATOM 0 HG23 ILE A 47 9.018 0.932 -11.368 1.00 32.41 H new ATOM 0 HD11 ILE A 47 9.701 -2.782 -11.745 1.00 20.44 H new ATOM 0 HD12 ILE A 47 8.871 -1.313 -12.309 1.00 20.44 H new ATOM 0 HD13 ILE A 47 10.411 -1.182 -11.426 1.00 20.44 H new ATOM 776 N ASP A 48 10.741 2.083 -9.649 1.00 12.54 N ATOM 777 CA ASP A 48 11.933 2.628 -10.266 1.00 41.51 C ATOM 778 C ASP A 48 13.155 2.334 -9.390 1.00 72.44 C ATOM 779 O ASP A 48 14.229 1.995 -9.883 1.00 34.13 O ATOM 780 CB ASP A 48 11.751 4.135 -10.426 1.00 60.54 C ATOM 781 CG ASP A 48 12.734 4.702 -11.440 1.00 34.43 C ATOM 782 OD1 ASP A 48 13.523 5.599 -11.083 1.00 52.54 O ATOM 783 OD2 ASP A 48 12.673 4.319 -12.627 1.00 52.25 O ATOM 0 H ASP A 48 10.014 2.778 -9.478 1.00 12.54 H new ATOM 0 HA ASP A 48 12.091 2.170 -11.242 1.00 41.51 H new ATOM 0 HB2 ASP A 48 10.731 4.349 -10.745 1.00 60.54 H new ATOM 0 HB3 ASP A 48 11.894 4.626 -9.463 1.00 60.54 H new ATOM 788 N PHE A 49 12.978 2.428 -8.070 1.00 33.43 N ATOM 789 CA PHE A 49 14.011 2.161 -7.073 1.00 0.01 C ATOM 790 C PHE A 49 14.374 0.670 -7.079 1.00 1.25 C ATOM 791 O PHE A 49 15.479 0.314 -6.683 1.00 5.20 O ATOM 792 CB PHE A 49 13.600 2.654 -5.674 1.00 20.22 C ATOM 793 CG PHE A 49 14.712 3.180 -4.765 1.00 23.21 C ATOM 794 CD1 PHE A 49 14.350 3.942 -3.640 1.00 42.43 C ATOM 795 CD2 PHE A 49 16.087 2.989 -5.031 1.00 4.01 C ATOM 796 CE1 PHE A 49 15.323 4.553 -2.831 1.00 65.53 C ATOM 797 CE2 PHE A 49 17.065 3.581 -4.212 1.00 71.11 C ATOM 798 CZ PHE A 49 16.685 4.378 -3.121 1.00 34.30 C ATOM 0 H PHE A 49 12.086 2.700 -7.656 1.00 33.43 H new ATOM 0 HA PHE A 49 14.903 2.727 -7.342 1.00 0.01 H new ATOM 0 HB2 PHE A 49 12.862 3.446 -5.798 1.00 20.22 H new ATOM 0 HB3 PHE A 49 13.102 1.832 -5.159 1.00 20.22 H new ATOM 0 HD1 PHE A 49 13.305 4.060 -3.393 1.00 42.43 H new ATOM 0 HD2 PHE A 49 16.390 2.382 -5.872 1.00 4.01 H new ATOM 0 HE1 PHE A 49 15.023 5.157 -1.987 1.00 65.53 H new ATOM 0 HE2 PHE A 49 18.112 3.422 -4.423 1.00 71.11 H new ATOM 0 HZ PHE A 49 17.436 4.854 -2.508 1.00 34.30 H new ATOM 808 N TYR A 50 13.440 -0.233 -7.401 1.00 40.23 N ATOM 809 CA TYR A 50 13.699 -1.677 -7.481 1.00 43.01 C ATOM 810 C TYR A 50 14.595 -1.930 -8.705 1.00 1.44 C ATOM 811 O TYR A 50 15.355 -2.896 -8.714 1.00 1.53 O ATOM 812 CB TYR A 50 12.393 -2.494 -7.520 1.00 40.42 C ATOM 813 CG TYR A 50 12.371 -3.634 -8.527 1.00 52.14 C ATOM 814 CD1 TYR A 50 12.729 -4.946 -8.158 1.00 1.35 C ATOM 815 CD2 TYR A 50 12.040 -3.359 -9.867 1.00 25.34 C ATOM 816 CE1 TYR A 50 12.695 -5.978 -9.117 1.00 23.21 C ATOM 817 CE2 TYR A 50 12.048 -4.371 -10.837 1.00 14.14 C ATOM 818 CZ TYR A 50 12.369 -5.689 -10.463 1.00 52.24 C ATOM 819 OH TYR A 50 12.349 -6.673 -11.402 1.00 33.11 O ATOM 0 H TYR A 50 12.475 0.019 -7.615 1.00 40.23 H new ATOM 0 HA TYR A 50 14.216 -2.015 -6.583 1.00 43.01 H new ATOM 0 HB2 TYR A 50 12.210 -2.904 -6.527 1.00 40.42 H new ATOM 0 HB3 TYR A 50 11.567 -1.818 -7.742 1.00 40.42 H new ATOM 0 HD1 TYR A 50 13.029 -5.160 -7.143 1.00 1.35 H new ATOM 0 HD2 TYR A 50 11.775 -2.352 -10.153 1.00 25.34 H new ATOM 0 HE1 TYR A 50 12.919 -6.993 -8.823 1.00 23.21 H new ATOM 0 HE2 TYR A 50 11.809 -4.141 -11.865 1.00 14.14 H new ATOM 0 HH TYR A 50 12.103 -6.291 -12.271 1.00 33.11 H new ATOM 829 N GLU A 51 14.501 -1.105 -9.754 1.00 0.20 N ATOM 830 CA GLU A 51 15.338 -1.281 -10.930 1.00 45.01 C ATOM 831 C GLU A 51 16.791 -0.852 -10.643 1.00 33.33 C ATOM 832 O GLU A 51 17.680 -1.228 -11.399 1.00 20.42 O ATOM 833 CB GLU A 51 14.768 -0.542 -12.154 1.00 32.52 C ATOM 834 CG GLU A 51 13.381 -1.085 -12.537 1.00 72.41 C ATOM 835 CD GLU A 51 13.036 -0.968 -14.023 1.00 24.20 C ATOM 836 OE1 GLU A 51 11.869 -0.624 -14.329 1.00 72.22 O ATOM 837 OE2 GLU A 51 13.836 -1.386 -14.897 1.00 53.33 O ATOM 0 H GLU A 51 13.856 -0.316 -9.806 1.00 0.20 H new ATOM 0 HA GLU A 51 15.342 -2.344 -11.171 1.00 45.01 H new ATOM 0 HB2 GLU A 51 14.697 0.524 -11.938 1.00 32.52 H new ATOM 0 HB3 GLU A 51 15.450 -0.651 -12.998 1.00 32.52 H new ATOM 0 HG2 GLU A 51 13.324 -2.134 -12.246 1.00 72.41 H new ATOM 0 HG3 GLU A 51 12.625 -0.552 -11.960 1.00 72.41 H new ATOM 844 N ARG A 52 17.048 -0.117 -9.550 1.00 54.04 N ATOM 845 CA ARG A 52 18.387 0.358 -9.185 1.00 40.52 C ATOM 846 C ARG A 52 19.270 -0.767 -8.631 1.00 34.51 C ATOM 847 O ARG A 52 20.488 -0.699 -8.785 1.00 32.12 O ATOM 848 CB ARG A 52 18.249 1.462 -8.120 1.00 63.35 C ATOM 849 CG ARG A 52 18.833 2.821 -8.503 1.00 2.52 C ATOM 850 CD ARG A 52 17.943 3.596 -9.485 1.00 3.00 C ATOM 851 NE ARG A 52 18.171 5.045 -9.351 1.00 24.22 N ATOM 852 CZ ARG A 52 17.246 6.003 -9.226 1.00 41.45 C ATOM 853 NH1 ARG A 52 15.977 5.763 -9.538 1.00 5.22 N ATOM 854 NH2 ARG A 52 17.604 7.207 -8.790 1.00 21.41 N ATOM 0 H ARG A 52 16.324 0.166 -8.890 1.00 54.04 H new ATOM 0 HA ARG A 52 18.866 0.740 -10.087 1.00 40.52 H new ATOM 0 HB2 ARG A 52 17.191 1.592 -7.891 1.00 63.35 H new ATOM 0 HB3 ARG A 52 18.734 1.122 -7.205 1.00 63.35 H new ATOM 0 HG2 ARG A 52 18.976 3.417 -7.602 1.00 2.52 H new ATOM 0 HG3 ARG A 52 19.817 2.676 -8.949 1.00 2.52 H new ATOM 0 HD2 ARG A 52 18.157 3.281 -10.506 1.00 3.00 H new ATOM 0 HD3 ARG A 52 16.895 3.367 -9.294 1.00 3.00 H new ATOM 0 HE ARG A 52 19.144 5.352 -9.354 1.00 24.22 H new ATOM 0 HH11 ARG A 52 15.701 4.841 -9.876 1.00 5.22 H new ATOM 0 HH12 ARG A 52 15.279 6.500 -9.439 1.00 5.22 H new ATOM 0 HH21 ARG A 52 18.578 7.395 -8.554 1.00 21.41 H new ATOM 0 HH22 ARG A 52 16.904 7.943 -8.692 1.00 21.41 H new ATOM 868 N LEU A 53 18.682 -1.823 -8.059 1.00 11.34 N ATOM 869 CA LEU A 53 19.346 -2.975 -7.500 1.00 73.25 C ATOM 870 C LEU A 53 20.285 -3.614 -8.506 1.00 15.04 C ATOM 871 O LEU A 53 20.000 -3.655 -9.704 1.00 54.43 O ATOM 872 CB LEU A 53 18.249 -3.987 -7.153 1.00 42.01 C ATOM 873 CG LEU A 53 17.495 -3.602 -5.880 1.00 1.42 C ATOM 874 CD1 LEU A 53 16.795 -2.258 -5.812 1.00 12.40 C ATOM 875 CD2 LEU A 53 16.552 -4.737 -5.474 1.00 45.12 C ATOM 0 H LEU A 53 17.667 -1.887 -7.976 1.00 11.34 H new ATOM 0 HA LEU A 53 19.933 -2.677 -6.632 1.00 73.25 H new ATOM 0 HB2 LEU A 53 17.546 -4.058 -7.983 1.00 42.01 H new ATOM 0 HB3 LEU A 53 18.694 -4.974 -7.026 1.00 42.01 H new ATOM 0 HG LEU A 53 18.300 -3.454 -5.160 1.00 1.42 H new ATOM 0 HD11 LEU A 53 16.312 -2.148 -4.841 1.00 12.40 H new ATOM 0 HD12 LEU A 53 17.525 -1.460 -5.946 1.00 12.40 H new ATOM 0 HD13 LEU A 53 16.044 -2.199 -6.600 1.00 12.40 H new ATOM 0 HD21 LEU A 53 16.017 -4.458 -4.566 1.00 45.12 H new ATOM 0 HD22 LEU A 53 15.836 -4.920 -6.276 1.00 45.12 H new ATOM 0 HD23 LEU A 53 17.130 -5.643 -5.291 1.00 45.12 H new ATOM 887 N ASP A 54 21.388 -4.141 -7.994 1.00 34.33 N ATOM 888 CA ASP A 54 22.377 -4.813 -8.823 1.00 2.40 C ATOM 889 C ASP A 54 21.863 -6.205 -9.197 1.00 22.34 C ATOM 890 O ASP A 54 22.167 -6.710 -10.277 1.00 20.34 O ATOM 891 CB ASP A 54 23.733 -4.897 -8.114 1.00 2.00 C ATOM 892 CG ASP A 54 24.776 -5.463 -9.077 1.00 14.33 C ATOM 893 OD1 ASP A 54 24.977 -4.854 -10.147 1.00 34.12 O ATOM 894 OD2 ASP A 54 25.360 -6.540 -8.791 1.00 13.12 O ATOM 0 H ASP A 54 21.621 -4.115 -7.001 1.00 34.33 H new ATOM 0 HA ASP A 54 22.528 -4.233 -9.733 1.00 2.40 H new ATOM 0 HB2 ASP A 54 24.038 -3.908 -7.771 1.00 2.00 H new ATOM 0 HB3 ASP A 54 23.655 -5.531 -7.231 1.00 2.00 H new ATOM 899 N THR A 55 21.041 -6.807 -8.331 1.00 12.04 N ATOM 900 CA THR A 55 20.453 -8.123 -8.537 1.00 2.54 C ATOM 901 C THR A 55 19.009 -8.108 -8.023 1.00 25.31 C ATOM 902 O THR A 55 18.744 -8.607 -6.924 1.00 12.10 O ATOM 903 CB THR A 55 21.326 -9.202 -7.877 1.00 13.44 C ATOM 904 OG1 THR A 55 22.666 -9.029 -8.279 1.00 35.21 O ATOM 905 CG2 THR A 55 20.899 -10.612 -8.271 1.00 63.13 C ATOM 0 H THR A 55 20.763 -6.378 -7.448 1.00 12.04 H new ATOM 0 HA THR A 55 20.418 -8.371 -9.598 1.00 2.54 H new ATOM 0 HB THR A 55 21.212 -9.091 -6.799 1.00 13.44 H new ATOM 0 HG1 THR A 55 23.225 -9.715 -7.858 1.00 35.21 H new ATOM 0 HG21 THR A 55 21.546 -11.339 -7.779 1.00 63.13 H new ATOM 0 HG22 THR A 55 19.867 -10.779 -7.964 1.00 63.13 H new ATOM 0 HG23 THR A 55 20.979 -10.728 -9.352 1.00 63.13 H new ATOM 913 N PRO A 56 18.064 -7.526 -8.782 1.00 55.54 N ATOM 914 CA PRO A 56 16.655 -7.468 -8.405 1.00 23.21 C ATOM 915 C PRO A 56 16.127 -8.909 -8.272 1.00 64.21 C ATOM 916 O PRO A 56 16.072 -9.616 -9.281 1.00 60.23 O ATOM 917 CB PRO A 56 15.963 -6.678 -9.517 1.00 5.00 C ATOM 918 CG PRO A 56 16.907 -6.763 -10.710 1.00 32.53 C ATOM 919 CD PRO A 56 18.282 -6.902 -10.081 1.00 21.21 C ATOM 0 HA PRO A 56 16.474 -6.979 -7.448 1.00 23.21 H new ATOM 0 HB2 PRO A 56 14.988 -7.103 -9.755 1.00 5.00 H new ATOM 0 HB3 PRO A 56 15.795 -5.643 -9.220 1.00 5.00 H new ATOM 0 HG2 PRO A 56 16.671 -7.616 -11.346 1.00 32.53 H new ATOM 0 HG3 PRO A 56 16.842 -5.872 -11.335 1.00 32.53 H new ATOM 0 HD2 PRO A 56 18.936 -7.513 -10.703 1.00 21.21 H new ATOM 0 HD3 PRO A 56 18.762 -5.930 -9.972 1.00 21.21 H new ATOM 927 N PRO A 57 15.722 -9.375 -7.075 1.00 75.45 N ATOM 928 CA PRO A 57 15.251 -10.740 -6.880 1.00 72.24 C ATOM 929 C PRO A 57 13.782 -10.928 -7.274 1.00 14.01 C ATOM 930 O PRO A 57 13.472 -11.515 -8.315 1.00 52.13 O ATOM 931 CB PRO A 57 15.529 -11.021 -5.400 1.00 53.41 C ATOM 932 CG PRO A 57 15.348 -9.659 -4.727 1.00 35.44 C ATOM 933 CD PRO A 57 15.726 -8.649 -5.811 1.00 15.30 C ATOM 0 HA PRO A 57 15.763 -11.451 -7.529 1.00 72.24 H new ATOM 0 HB2 PRO A 57 14.837 -11.761 -4.997 1.00 53.41 H new ATOM 0 HB3 PRO A 57 16.536 -11.410 -5.249 1.00 53.41 H new ATOM 0 HG2 PRO A 57 14.321 -9.515 -4.390 1.00 35.44 H new ATOM 0 HG3 PRO A 57 15.988 -9.560 -3.850 1.00 35.44 H new ATOM 0 HD2 PRO A 57 15.015 -7.823 -5.836 1.00 15.30 H new ATOM 0 HD3 PRO A 57 16.708 -8.219 -5.614 1.00 15.30 H new ATOM 941 N PHE A 58 12.856 -10.479 -6.428 1.00 53.42 N ATOM 942 CA PHE A 58 11.425 -10.577 -6.638 1.00 60.25 C ATOM 943 C PHE A 58 11.039 -9.499 -7.638 1.00 3.21 C ATOM 944 O PHE A 58 11.052 -8.309 -7.318 1.00 23.11 O ATOM 945 CB PHE A 58 10.701 -10.493 -5.293 1.00 42.13 C ATOM 946 CG PHE A 58 10.865 -11.784 -4.513 1.00 11.13 C ATOM 947 CD1 PHE A 58 9.899 -12.804 -4.620 1.00 65.22 C ATOM 948 CD2 PHE A 58 12.027 -12.006 -3.749 1.00 73.32 C ATOM 949 CE1 PHE A 58 10.088 -14.024 -3.949 1.00 34.24 C ATOM 950 CE2 PHE A 58 12.227 -13.240 -3.109 1.00 24.14 C ATOM 951 CZ PHE A 58 11.256 -14.248 -3.204 1.00 3.24 C ATOM 0 H PHE A 58 13.097 -10.022 -5.549 1.00 53.42 H new ATOM 0 HA PHE A 58 11.125 -11.536 -7.060 1.00 60.25 H new ATOM 0 HB2 PHE A 58 11.097 -9.659 -4.713 1.00 42.13 H new ATOM 0 HB3 PHE A 58 9.642 -10.293 -5.456 1.00 42.13 H new ATOM 0 HD1 PHE A 58 9.013 -12.648 -5.218 1.00 65.22 H new ATOM 0 HD2 PHE A 58 12.767 -11.225 -3.655 1.00 73.32 H new ATOM 0 HE1 PHE A 58 9.331 -14.792 -4.007 1.00 34.24 H new ATOM 0 HE2 PHE A 58 13.130 -13.413 -2.543 1.00 24.14 H new ATOM 0 HZ PHE A 58 11.407 -15.194 -2.705 1.00 3.24 H new ATOM 961 N SER A 59 10.717 -9.931 -8.854 1.00 53.05 N ATOM 962 CA SER A 59 10.341 -9.067 -9.954 1.00 42.42 C ATOM 963 C SER A 59 9.146 -8.169 -9.619 1.00 24.13 C ATOM 964 O SER A 59 8.346 -8.474 -8.727 1.00 4.44 O ATOM 965 CB SER A 59 10.041 -9.932 -11.181 1.00 5.21 C ATOM 966 OG SER A 59 11.044 -10.908 -11.396 1.00 14.51 O ATOM 0 H SER A 59 10.712 -10.920 -9.102 1.00 53.05 H new ATOM 0 HA SER A 59 11.176 -8.397 -10.160 1.00 42.42 H new ATOM 0 HB2 SER A 59 9.077 -10.424 -11.051 1.00 5.21 H new ATOM 0 HB3 SER A 59 9.958 -9.296 -12.062 1.00 5.21 H new ATOM 0 HG SER A 59 10.817 -11.442 -12.186 1.00 14.51 H new ATOM 972 N LYS A 60 8.965 -7.124 -10.437 1.00 13.42 N ATOM 973 CA LYS A 60 7.909 -6.108 -10.327 1.00 63.32 C ATOM 974 C LYS A 60 6.524 -6.706 -10.093 1.00 14.12 C ATOM 975 O LYS A 60 5.720 -6.095 -9.378 1.00 73.42 O ATOM 976 CB LYS A 60 7.972 -5.184 -11.562 1.00 41.12 C ATOM 977 CG LYS A 60 7.631 -5.873 -12.896 1.00 74.13 C ATOM 978 CD LYS A 60 8.388 -5.304 -14.105 1.00 52.31 C ATOM 979 CE LYS A 60 8.007 -3.866 -14.479 1.00 63.21 C ATOM 980 NZ LYS A 60 6.737 -3.773 -15.225 1.00 23.25 N ATOM 0 H LYS A 60 9.581 -6.956 -11.232 1.00 13.42 H new ATOM 0 HA LYS A 60 8.092 -5.509 -9.435 1.00 63.32 H new ATOM 0 HB2 LYS A 60 7.285 -4.352 -11.412 1.00 41.12 H new ATOM 0 HB3 LYS A 60 8.974 -4.761 -11.632 1.00 41.12 H new ATOM 0 HG2 LYS A 60 7.852 -6.937 -12.810 1.00 74.13 H new ATOM 0 HG3 LYS A 60 6.560 -5.783 -13.076 1.00 74.13 H new ATOM 0 HD2 LYS A 60 9.457 -5.340 -13.897 1.00 52.31 H new ATOM 0 HD3 LYS A 60 8.209 -5.949 -14.965 1.00 52.31 H new ATOM 0 HE2 LYS A 60 7.931 -3.270 -13.570 1.00 63.21 H new ATOM 0 HE3 LYS A 60 8.806 -3.431 -15.080 1.00 63.21 H new ATOM 0 HZ1 LYS A 60 6.537 -2.777 -15.447 1.00 23.25 H new ATOM 0 HZ2 LYS A 60 6.813 -4.316 -16.109 1.00 23.25 H new ATOM 0 HZ3 LYS A 60 5.965 -4.160 -14.646 1.00 23.25 H new ATOM 994 N LYS A 61 6.235 -7.883 -10.651 1.00 43.44 N ATOM 995 CA LYS A 61 4.957 -8.561 -10.480 1.00 71.21 C ATOM 996 C LYS A 61 4.741 -8.887 -9.000 1.00 24.52 C ATOM 997 O LYS A 61 3.716 -8.502 -8.448 1.00 20.22 O ATOM 998 CB LYS A 61 4.920 -9.823 -11.357 1.00 75.34 C ATOM 999 CG LYS A 61 3.498 -10.328 -11.673 1.00 0.31 C ATOM 1000 CD LYS A 61 2.704 -9.458 -12.664 1.00 40.04 C ATOM 1001 CE LYS A 61 3.496 -9.198 -13.954 1.00 51.05 C ATOM 1002 NZ LYS A 61 2.735 -8.438 -14.962 1.00 14.11 N ATOM 0 H LYS A 61 6.892 -8.395 -11.240 1.00 43.44 H new ATOM 0 HA LYS A 61 4.142 -7.911 -10.799 1.00 71.21 H new ATOM 0 HB2 LYS A 61 5.437 -9.617 -12.294 1.00 75.34 H new ATOM 0 HB3 LYS A 61 5.473 -10.617 -10.856 1.00 75.34 H new ATOM 0 HG2 LYS A 61 3.569 -11.338 -12.076 1.00 0.31 H new ATOM 0 HG3 LYS A 61 2.937 -10.395 -10.741 1.00 0.31 H new ATOM 0 HD2 LYS A 61 1.763 -9.951 -12.908 1.00 40.04 H new ATOM 0 HD3 LYS A 61 2.453 -8.507 -12.193 1.00 40.04 H new ATOM 0 HE2 LYS A 61 4.407 -8.652 -13.709 1.00 51.05 H new ATOM 0 HE3 LYS A 61 3.802 -10.152 -14.383 1.00 51.05 H new ATOM 0 HZ1 LYS A 61 3.324 -8.296 -15.807 1.00 14.11 H new ATOM 0 HZ2 LYS A 61 1.878 -8.967 -15.222 1.00 14.11 H new ATOM 0 HZ3 LYS A 61 2.465 -7.514 -14.569 1.00 14.11 H new ATOM 1016 N SER A 62 5.692 -9.569 -8.344 1.00 74.33 N ATOM 1017 CA SER A 62 5.575 -9.937 -6.939 1.00 12.51 C ATOM 1018 C SER A 62 5.501 -8.691 -6.072 1.00 34.21 C ATOM 1019 O SER A 62 4.667 -8.642 -5.171 1.00 52.43 O ATOM 1020 CB SER A 62 6.742 -10.834 -6.498 1.00 5.43 C ATOM 1021 OG SER A 62 6.329 -11.728 -5.475 1.00 51.33 O ATOM 0 H SER A 62 6.561 -9.878 -8.780 1.00 74.33 H new ATOM 0 HA SER A 62 4.654 -10.506 -6.815 1.00 12.51 H new ATOM 0 HB2 SER A 62 7.116 -11.399 -7.352 1.00 5.43 H new ATOM 0 HB3 SER A 62 7.566 -10.217 -6.138 1.00 5.43 H new ATOM 0 HG SER A 62 7.031 -12.394 -5.320 1.00 51.33 H new ATOM 1027 N LEU A 63 6.340 -7.686 -6.348 1.00 72.34 N ATOM 1028 CA LEU A 63 6.353 -6.445 -5.585 1.00 35.30 C ATOM 1029 C LEU A 63 4.954 -5.830 -5.598 1.00 11.13 C ATOM 1030 O LEU A 63 4.378 -5.622 -4.528 1.00 5.31 O ATOM 1031 CB LEU A 63 7.494 -5.545 -6.083 1.00 2.22 C ATOM 1032 CG LEU A 63 7.803 -4.324 -5.191 1.00 22.54 C ATOM 1033 CD1 LEU A 63 9.274 -3.899 -5.279 1.00 5.24 C ATOM 1034 CD2 LEU A 63 6.972 -3.104 -5.575 1.00 64.24 C ATOM 0 H LEU A 63 7.024 -7.715 -7.104 1.00 72.34 H new ATOM 0 HA LEU A 63 6.576 -6.613 -4.531 1.00 35.30 H new ATOM 0 HB2 LEU A 63 8.398 -6.147 -6.173 1.00 2.22 H new ATOM 0 HB3 LEU A 63 7.246 -5.191 -7.084 1.00 2.22 H new ATOM 0 HG LEU A 63 7.559 -4.650 -4.180 1.00 22.54 H new ATOM 0 HD11 LEU A 63 9.443 -3.036 -4.634 1.00 5.24 H new ATOM 0 HD12 LEU A 63 9.911 -4.723 -4.957 1.00 5.24 H new ATOM 0 HD13 LEU A 63 9.516 -3.635 -6.309 1.00 5.24 H new ATOM 0 HD21 LEU A 63 7.225 -2.271 -4.919 1.00 64.24 H new ATOM 0 HD22 LEU A 63 7.184 -2.830 -6.608 1.00 64.24 H new ATOM 0 HD23 LEU A 63 5.912 -3.338 -5.472 1.00 64.24 H new ATOM 1046 N ARG A 64 4.350 -5.619 -6.773 1.00 41.02 N ATOM 1047 CA ARG A 64 3.009 -5.041 -6.842 1.00 40.44 C ATOM 1048 C ARG A 64 1.966 -5.941 -6.207 1.00 34.50 C ATOM 1049 O ARG A 64 1.143 -5.444 -5.442 1.00 32.10 O ATOM 1050 CB ARG A 64 2.613 -4.766 -8.297 1.00 51.21 C ATOM 1051 CG ARG A 64 1.247 -4.081 -8.495 1.00 12.11 C ATOM 1052 CD ARG A 64 0.982 -2.877 -7.569 1.00 53.41 C ATOM 1053 NE ARG A 64 0.271 -1.794 -8.268 1.00 11.04 N ATOM 1054 CZ ARG A 64 -0.257 -0.685 -7.739 1.00 41.15 C ATOM 1055 NH1 ARG A 64 -0.426 -0.553 -6.426 1.00 21.10 N ATOM 1056 NH2 ARG A 64 -0.593 0.325 -8.537 1.00 31.34 N ATOM 0 H ARG A 64 4.765 -5.838 -7.678 1.00 41.02 H new ATOM 0 HA ARG A 64 3.042 -4.106 -6.283 1.00 40.44 H new ATOM 0 HB2 ARG A 64 3.382 -4.142 -8.753 1.00 51.21 H new ATOM 0 HB3 ARG A 64 2.607 -5.712 -8.839 1.00 51.21 H new ATOM 0 HG2 ARG A 64 1.171 -3.748 -9.530 1.00 12.11 H new ATOM 0 HG3 ARG A 64 0.461 -4.820 -8.339 1.00 12.11 H new ATOM 0 HD2 ARG A 64 0.395 -3.202 -6.710 1.00 53.41 H new ATOM 0 HD3 ARG A 64 1.929 -2.500 -7.183 1.00 53.41 H new ATOM 0 HE ARG A 64 0.169 -1.902 -9.277 1.00 11.04 H new ATOM 0 HH11 ARG A 64 -0.150 -1.308 -5.798 1.00 21.10 H new ATOM 0 HH12 ARG A 64 -0.831 0.303 -6.047 1.00 21.10 H new ATOM 0 HH21 ARG A 64 -0.447 0.250 -9.544 1.00 31.34 H new ATOM 0 HH22 ARG A 64 -0.996 1.175 -8.142 1.00 31.34 H new ATOM 1070 N GLU A 65 1.976 -7.239 -6.510 1.00 2.34 N ATOM 1071 CA GLU A 65 1.013 -8.185 -5.963 1.00 40.13 C ATOM 1072 C GLU A 65 1.030 -8.157 -4.438 1.00 3.33 C ATOM 1073 O GLU A 65 -0.034 -8.154 -3.815 1.00 2.34 O ATOM 1074 CB GLU A 65 1.283 -9.593 -6.513 1.00 72.21 C ATOM 1075 CG GLU A 65 0.683 -9.790 -7.913 1.00 53.52 C ATOM 1076 CD GLU A 65 -0.843 -9.681 -7.881 1.00 63.32 C ATOM 1077 OE1 GLU A 65 -1.379 -8.603 -8.238 1.00 4.42 O ATOM 1078 OE2 GLU A 65 -1.488 -10.667 -7.444 1.00 65.21 O ATOM 0 H GLU A 65 2.655 -7.661 -7.143 1.00 2.34 H new ATOM 0 HA GLU A 65 0.012 -7.891 -6.277 1.00 40.13 H new ATOM 0 HB2 GLU A 65 2.358 -9.767 -6.552 1.00 72.21 H new ATOM 0 HB3 GLU A 65 0.865 -10.334 -5.832 1.00 72.21 H new ATOM 0 HG2 GLU A 65 1.089 -9.042 -8.594 1.00 53.52 H new ATOM 0 HG3 GLU A 65 0.972 -10.766 -8.302 1.00 53.52 H new ATOM 1085 N ALA A 66 2.218 -8.118 -3.837 1.00 12.32 N ATOM 1086 CA ALA A 66 2.383 -8.061 -2.399 1.00 63.11 C ATOM 1087 C ALA A 66 1.876 -6.715 -1.880 1.00 23.51 C ATOM 1088 O ALA A 66 1.137 -6.685 -0.900 1.00 42.05 O ATOM 1089 CB ALA A 66 3.852 -8.248 -2.052 1.00 31.22 C ATOM 0 H ALA A 66 3.100 -8.126 -4.349 1.00 12.32 H new ATOM 0 HA ALA A 66 1.806 -8.857 -1.928 1.00 63.11 H new ATOM 0 HB1 ALA A 66 3.979 -8.205 -0.970 1.00 31.22 H new ATOM 0 HB2 ALA A 66 4.192 -9.216 -2.419 1.00 31.22 H new ATOM 0 HB3 ALA A 66 4.439 -7.457 -2.517 1.00 31.22 H new ATOM 1095 N LEU A 67 2.230 -5.603 -2.537 1.00 32.35 N ATOM 1096 CA LEU A 67 1.781 -4.269 -2.129 1.00 13.13 C ATOM 1097 C LEU A 67 0.251 -4.202 -2.184 1.00 74.42 C ATOM 1098 O LEU A 67 -0.364 -3.446 -1.434 1.00 15.31 O ATOM 1099 CB LEU A 67 2.397 -3.171 -3.020 1.00 40.11 C ATOM 1100 CG LEU A 67 3.058 -2.020 -2.235 1.00 14.24 C ATOM 1101 CD1 LEU A 67 3.665 -1.034 -3.233 1.00 51.32 C ATOM 1102 CD2 LEU A 67 2.107 -1.244 -1.321 1.00 33.53 C ATOM 0 H LEU A 67 2.832 -5.604 -3.361 1.00 32.35 H new ATOM 0 HA LEU A 67 2.116 -4.092 -1.107 1.00 13.13 H new ATOM 0 HB2 LEU A 67 3.141 -3.624 -3.675 1.00 40.11 H new ATOM 0 HB3 LEU A 67 1.618 -2.759 -3.661 1.00 40.11 H new ATOM 0 HG LEU A 67 3.804 -2.484 -1.590 1.00 14.24 H new ATOM 0 HD11 LEU A 67 4.137 -0.213 -2.693 1.00 51.32 H new ATOM 0 HD12 LEU A 67 4.412 -1.545 -3.841 1.00 51.32 H new ATOM 0 HD13 LEU A 67 2.880 -0.640 -3.878 1.00 51.32 H new ATOM 0 HD21 LEU A 67 2.657 -0.455 -0.809 1.00 33.53 H new ATOM 0 HD22 LEU A 67 1.309 -0.802 -1.917 1.00 33.53 H new ATOM 0 HD23 LEU A 67 1.676 -1.922 -0.584 1.00 33.53 H new ATOM 1114 N SER A 68 -0.380 -4.987 -3.067 1.00 3.25 N ATOM 1115 CA SER A 68 -1.821 -5.057 -3.229 1.00 31.21 C ATOM 1116 C SER A 68 -2.425 -5.589 -1.927 1.00 21.25 C ATOM 1117 O SER A 68 -3.546 -5.236 -1.568 1.00 45.23 O ATOM 1118 CB SER A 68 -2.148 -5.979 -4.415 1.00 55.14 C ATOM 1119 OG SER A 68 -3.049 -5.381 -5.322 1.00 40.35 O ATOM 0 H SER A 68 0.122 -5.606 -3.703 1.00 3.25 H new ATOM 0 HA SER A 68 -2.242 -4.074 -3.438 1.00 31.21 H new ATOM 0 HB2 SER A 68 -1.227 -6.237 -4.937 1.00 55.14 H new ATOM 0 HB3 SER A 68 -2.575 -6.910 -4.042 1.00 55.14 H new ATOM 0 HG SER A 68 -3.228 -6.000 -6.061 1.00 40.35 H new ATOM 1125 N TYR A 69 -1.690 -6.459 -1.224 1.00 54.45 N ATOM 1126 CA TYR A 69 -2.115 -7.037 0.030 1.00 22.11 C ATOM 1127 C TYR A 69 -2.143 -5.959 1.110 1.00 25.24 C ATOM 1128 O TYR A 69 -3.063 -5.980 1.926 1.00 64.31 O ATOM 1129 CB TYR A 69 -1.223 -8.233 0.411 1.00 3.40 C ATOM 1130 CG TYR A 69 -2.034 -9.425 0.866 1.00 4.02 C ATOM 1131 CD1 TYR A 69 -1.961 -9.900 2.190 1.00 54.03 C ATOM 1132 CD2 TYR A 69 -2.902 -10.035 -0.057 1.00 3.42 C ATOM 1133 CE1 TYR A 69 -2.779 -10.970 2.599 1.00 33.34 C ATOM 1134 CE2 TYR A 69 -3.726 -11.100 0.349 1.00 24.34 C ATOM 1135 CZ TYR A 69 -3.672 -11.571 1.681 1.00 34.45 C ATOM 1136 OH TYR A 69 -4.523 -12.561 2.075 1.00 42.44 O ATOM 0 H TYR A 69 -0.770 -6.778 -1.527 1.00 54.45 H new ATOM 0 HA TYR A 69 -3.127 -7.427 -0.073 1.00 22.11 H new ATOM 0 HB2 TYR A 69 -0.612 -8.517 -0.446 1.00 3.40 H new ATOM 0 HB3 TYR A 69 -0.539 -7.936 1.206 1.00 3.40 H new ATOM 0 HD1 TYR A 69 -1.278 -9.444 2.891 1.00 54.03 H new ATOM 0 HD2 TYR A 69 -2.936 -9.685 -1.078 1.00 3.42 H new ATOM 0 HE1 TYR A 69 -2.725 -11.333 3.615 1.00 33.34 H new ATOM 0 HE2 TYR A 69 -4.401 -11.559 -0.358 1.00 24.34 H new ATOM 0 HH TYR A 69 -5.062 -12.853 1.310 1.00 42.44 H new ATOM 1146 N TYR A 70 -1.181 -5.026 1.121 1.00 3.45 N ATOM 1147 CA TYR A 70 -1.149 -3.950 2.112 1.00 14.23 C ATOM 1148 C TYR A 70 -2.290 -2.967 1.870 1.00 32.13 C ATOM 1149 O TYR A 70 -2.877 -2.457 2.827 1.00 2.24 O ATOM 1150 CB TYR A 70 0.226 -3.265 2.179 1.00 14.40 C ATOM 1151 CG TYR A 70 0.961 -3.610 3.462 1.00 22.41 C ATOM 1152 CD1 TYR A 70 1.069 -4.957 3.861 1.00 15.45 C ATOM 1153 CD2 TYR A 70 1.474 -2.595 4.294 1.00 65.53 C ATOM 1154 CE1 TYR A 70 1.649 -5.287 5.093 1.00 21.55 C ATOM 1155 CE2 TYR A 70 2.070 -2.921 5.527 1.00 73.42 C ATOM 1156 CZ TYR A 70 2.144 -4.273 5.940 1.00 54.01 C ATOM 1157 OH TYR A 70 2.633 -4.619 7.162 1.00 42.24 O ATOM 0 H TYR A 70 -0.413 -4.998 0.450 1.00 3.45 H new ATOM 0 HA TYR A 70 -1.304 -4.391 3.097 1.00 14.23 H new ATOM 0 HB2 TYR A 70 0.827 -3.569 1.322 1.00 14.40 H new ATOM 0 HB3 TYR A 70 0.098 -2.185 2.111 1.00 14.40 H new ATOM 0 HD1 TYR A 70 0.703 -5.740 3.213 1.00 15.45 H new ATOM 0 HD2 TYR A 70 1.410 -1.562 3.984 1.00 65.53 H new ATOM 0 HE1 TYR A 70 1.717 -6.322 5.395 1.00 21.55 H new ATOM 0 HE2 TYR A 70 2.470 -2.141 6.157 1.00 73.42 H new ATOM 0 HH TYR A 70 3.010 -3.827 7.600 1.00 42.24 H new ATOM 1167 N SER A 71 -2.639 -2.699 0.611 1.00 11.52 N ATOM 1168 CA SER A 71 -3.757 -1.801 0.323 1.00 73.23 C ATOM 1169 C SER A 71 -5.108 -2.485 0.610 1.00 0.23 C ATOM 1170 O SER A 71 -6.143 -1.819 0.687 1.00 71.22 O ATOM 1171 CB SER A 71 -3.665 -1.264 -1.101 1.00 14.53 C ATOM 1172 OG SER A 71 -3.409 -2.244 -2.094 1.00 20.15 O ATOM 0 H SER A 71 -2.174 -3.083 -0.211 1.00 11.52 H new ATOM 0 HA SER A 71 -3.694 -0.943 0.993 1.00 73.23 H new ATOM 0 HB2 SER A 71 -4.599 -0.757 -1.344 1.00 14.53 H new ATOM 0 HB3 SER A 71 -2.876 -0.513 -1.140 1.00 14.53 H new ATOM 0 HG SER A 71 -3.555 -3.137 -1.718 1.00 20.15 H new ATOM 1178 N ALA A 72 -5.093 -3.809 0.778 1.00 4.41 N ATOM 1179 CA ALA A 72 -6.227 -4.665 1.076 1.00 0.32 C ATOM 1180 C ALA A 72 -6.270 -5.006 2.570 1.00 20.22 C ATOM 1181 O ALA A 72 -7.086 -5.832 2.990 1.00 21.52 O ATOM 1182 CB ALA A 72 -6.122 -5.928 0.216 1.00 75.53 C ATOM 0 H ALA A 72 -4.226 -4.341 0.703 1.00 4.41 H new ATOM 0 HA ALA A 72 -7.157 -4.147 0.841 1.00 0.32 H new ATOM 0 HB1 ALA A 72 -6.967 -6.583 0.427 1.00 75.53 H new ATOM 0 HB2 ALA A 72 -6.132 -5.652 -0.838 1.00 75.53 H new ATOM 0 HB3 ALA A 72 -5.193 -6.449 0.446 1.00 75.53 H new ATOM 1188 N SER A 73 -5.371 -4.431 3.376 1.00 71.12 N ATOM 1189 CA SER A 73 -5.357 -4.717 4.802 1.00 31.41 C ATOM 1190 C SER A 73 -6.648 -4.200 5.455 1.00 64.45 C ATOM 1191 O SER A 73 -7.217 -3.209 4.991 1.00 51.41 O ATOM 1192 CB SER A 73 -4.087 -4.163 5.447 1.00 20.23 C ATOM 1193 OG SER A 73 -2.951 -4.884 4.994 1.00 62.45 O ATOM 0 H SER A 73 -4.655 -3.774 3.064 1.00 71.12 H new ATOM 0 HA SER A 73 -5.334 -5.795 4.963 1.00 31.41 H new ATOM 0 HB2 SER A 73 -3.977 -3.107 5.202 1.00 20.23 H new ATOM 0 HB3 SER A 73 -4.162 -4.233 6.532 1.00 20.23 H new ATOM 0 HG SER A 73 -3.111 -5.207 4.083 1.00 62.45 H new ATOM 1199 N PRO A 74 -7.112 -4.844 6.541 1.00 0.24 N ATOM 1200 CA PRO A 74 -8.338 -4.447 7.210 1.00 12.32 C ATOM 1201 C PRO A 74 -8.244 -3.024 7.731 1.00 32.44 C ATOM 1202 O PRO A 74 -9.119 -2.223 7.429 1.00 54.43 O ATOM 1203 CB PRO A 74 -8.585 -5.461 8.328 1.00 0.13 C ATOM 1204 CG PRO A 74 -7.228 -6.116 8.547 1.00 23.24 C ATOM 1205 CD PRO A 74 -6.527 -6.005 7.195 1.00 63.21 C ATOM 0 HA PRO A 74 -9.179 -4.448 6.517 1.00 12.32 H new ATOM 0 HB2 PRO A 74 -8.943 -4.974 9.235 1.00 0.13 H new ATOM 0 HB3 PRO A 74 -9.339 -6.194 8.041 1.00 0.13 H new ATOM 0 HG2 PRO A 74 -6.664 -5.608 9.329 1.00 23.24 H new ATOM 0 HG3 PRO A 74 -7.334 -7.156 8.855 1.00 23.24 H new ATOM 0 HD2 PRO A 74 -5.451 -5.883 7.321 1.00 63.21 H new ATOM 0 HD3 PRO A 74 -6.678 -6.906 6.601 1.00 63.21 H new ATOM 1213 N ALA A 75 -7.172 -2.698 8.456 1.00 51.02 N ATOM 1214 CA ALA A 75 -6.971 -1.378 9.022 1.00 23.24 C ATOM 1215 C ALA A 75 -7.011 -0.287 7.953 1.00 11.03 C ATOM 1216 O ALA A 75 -7.734 0.690 8.120 1.00 65.53 O ATOM 1217 CB ALA A 75 -5.664 -1.379 9.810 1.00 31.42 C ATOM 0 H ALA A 75 -6.418 -3.353 8.664 1.00 51.02 H new ATOM 0 HA ALA A 75 -7.791 -1.145 9.702 1.00 23.24 H new ATOM 0 HB1 ALA A 75 -5.499 -0.392 10.242 1.00 31.42 H new ATOM 0 HB2 ALA A 75 -5.721 -2.120 10.608 1.00 31.42 H new ATOM 0 HB3 ALA A 75 -4.838 -1.626 9.144 1.00 31.42 H new ATOM 1223 N TYR A 76 -6.301 -0.472 6.834 1.00 41.01 N ATOM 1224 CA TYR A 76 -6.268 0.511 5.756 1.00 5.41 C ATOM 1225 C TYR A 76 -7.675 0.841 5.270 1.00 12.32 C ATOM 1226 O TYR A 76 -8.013 2.022 5.133 1.00 54.02 O ATOM 1227 CB TYR A 76 -5.402 0.003 4.576 1.00 64.32 C ATOM 1228 CG TYR A 76 -5.375 0.951 3.384 1.00 1.33 C ATOM 1229 CD1 TYR A 76 -4.290 1.825 3.170 1.00 40.44 C ATOM 1230 CD2 TYR A 76 -6.482 1.008 2.515 1.00 74.53 C ATOM 1231 CE1 TYR A 76 -4.349 2.792 2.157 1.00 40.13 C ATOM 1232 CE2 TYR A 76 -6.589 2.031 1.561 1.00 0.53 C ATOM 1233 CZ TYR A 76 -5.538 2.960 1.410 1.00 21.14 C ATOM 1234 OH TYR A 76 -5.641 3.962 0.499 1.00 44.31 O ATOM 0 H TYR A 76 -5.738 -1.303 6.655 1.00 41.01 H new ATOM 0 HA TYR A 76 -5.820 1.422 6.152 1.00 5.41 H new ATOM 0 HB2 TYR A 76 -4.382 -0.155 4.927 1.00 64.32 H new ATOM 0 HB3 TYR A 76 -5.780 -0.966 4.250 1.00 64.32 H new ATOM 0 HD1 TYR A 76 -3.409 1.749 3.790 1.00 40.44 H new ATOM 0 HD2 TYR A 76 -7.255 0.257 2.584 1.00 74.53 H new ATOM 0 HE1 TYR A 76 -3.487 3.408 1.947 1.00 40.13 H new ATOM 0 HE2 TYR A 76 -7.473 2.107 0.945 1.00 0.53 H new ATOM 0 HH TYR A 76 -6.525 3.930 0.076 1.00 44.31 H new ATOM 1244 N LEU A 77 -8.483 -0.183 4.987 1.00 62.31 N ATOM 1245 CA LEU A 77 -9.838 -0.004 4.485 1.00 22.13 C ATOM 1246 C LEU A 77 -10.748 0.559 5.571 1.00 12.31 C ATOM 1247 O LEU A 77 -11.436 1.550 5.336 1.00 4.41 O ATOM 1248 CB LEU A 77 -10.377 -1.329 3.933 1.00 40.15 C ATOM 1249 CG LEU A 77 -9.497 -1.955 2.829 1.00 23.13 C ATOM 1250 CD1 LEU A 77 -9.856 -3.435 2.732 1.00 44.15 C ATOM 1251 CD2 LEU A 77 -9.645 -1.240 1.483 1.00 5.54 C ATOM 0 H LEU A 77 -8.211 -1.159 5.101 1.00 62.31 H new ATOM 0 HA LEU A 77 -9.817 0.719 3.669 1.00 22.13 H new ATOM 0 HB2 LEU A 77 -10.473 -2.040 4.753 1.00 40.15 H new ATOM 0 HB3 LEU A 77 -11.378 -1.164 3.535 1.00 40.15 H new ATOM 0 HG LEU A 77 -8.446 -1.841 3.094 1.00 23.13 H new ATOM 0 HD11 LEU A 77 -9.250 -3.907 1.959 1.00 44.15 H new ATOM 0 HD12 LEU A 77 -9.664 -3.919 3.689 1.00 44.15 H new ATOM 0 HD13 LEU A 77 -10.911 -3.538 2.479 1.00 44.15 H new ATOM 0 HD21 LEU A 77 -9.005 -1.721 0.743 1.00 5.54 H new ATOM 0 HD22 LEU A 77 -10.683 -1.294 1.154 1.00 5.54 H new ATOM 0 HD23 LEU A 77 -9.353 -0.196 1.592 1.00 5.54 H new ATOM 1263 N SER A 78 -10.695 -0.021 6.771 1.00 0.40 N ATOM 1264 CA SER A 78 -11.479 0.376 7.939 1.00 54.24 C ATOM 1265 C SER A 78 -11.173 1.821 8.363 1.00 2.53 C ATOM 1266 O SER A 78 -11.978 2.441 9.057 1.00 23.15 O ATOM 1267 CB SER A 78 -11.189 -0.589 9.101 1.00 1.02 C ATOM 1268 OG SER A 78 -12.217 -0.544 10.075 1.00 73.11 O ATOM 0 H SER A 78 -10.080 -0.812 6.962 1.00 0.40 H new ATOM 0 HA SER A 78 -12.535 0.329 7.673 1.00 54.24 H new ATOM 0 HB2 SER A 78 -11.092 -1.605 8.718 1.00 1.02 H new ATOM 0 HB3 SER A 78 -10.236 -0.330 9.562 1.00 1.02 H new ATOM 0 HG SER A 78 -12.007 -1.168 10.801 1.00 73.11 H new ATOM 1274 N CYS A 79 -10.028 2.368 7.977 1.00 60.34 N ATOM 1275 CA CYS A 79 -9.570 3.711 8.265 1.00 2.13 C ATOM 1276 C CYS A 79 -9.877 4.687 7.135 1.00 54.12 C ATOM 1277 O CYS A 79 -9.276 5.760 7.135 1.00 42.42 O ATOM 1278 CB CYS A 79 -8.129 3.721 8.764 1.00 23.13 C ATOM 1279 SG CYS A 79 -7.823 5.219 9.747 1.00 63.33 S ATOM 0 H CYS A 79 -9.353 1.846 7.417 1.00 60.34 H new ATOM 0 HA CYS A 79 -10.153 4.094 9.102 1.00 2.13 H new ATOM 0 HB2 CYS A 79 -7.938 2.834 9.368 1.00 23.13 H new ATOM 0 HB3 CYS A 79 -7.442 3.684 7.918 1.00 23.13 H new ATOM 0 HG CYS A 79 -8.298 6.254 9.120 1.00 63.33 H new ATOM 1285 N GLN A 80 -10.637 4.295 6.099 1.00 44.11 N ATOM 1286 CA GLN A 80 -11.017 5.186 4.994 1.00 14.41 C ATOM 1287 C GLN A 80 -11.360 6.578 5.529 1.00 23.42 C ATOM 1288 O GLN A 80 -12.307 6.762 6.287 1.00 15.24 O ATOM 1289 CB GLN A 80 -12.201 4.664 4.160 1.00 11.02 C ATOM 1290 CG GLN A 80 -13.507 4.380 4.917 1.00 33.23 C ATOM 1291 CD GLN A 80 -14.483 5.560 4.998 1.00 20.40 C ATOM 1292 OE1 GLN A 80 -14.501 6.457 4.153 1.00 22.44 O ATOM 1293 NE2 GLN A 80 -15.332 5.563 6.010 1.00 71.32 N ATOM 0 H GLN A 80 -11.005 3.348 6.006 1.00 44.11 H new ATOM 0 HA GLN A 80 -10.151 5.228 4.334 1.00 14.41 H new ATOM 0 HB2 GLN A 80 -12.413 5.392 3.377 1.00 11.02 H new ATOM 0 HB3 GLN A 80 -11.889 3.745 3.664 1.00 11.02 H new ATOM 0 HG2 GLN A 80 -14.013 3.543 4.436 1.00 33.23 H new ATOM 0 HG3 GLN A 80 -13.260 4.063 5.930 1.00 33.23 H new ATOM 0 HE21 GLN A 80 -15.304 4.813 6.701 1.00 71.32 H new ATOM 0 HE22 GLN A 80 -16.015 6.315 6.100 1.00 71.32 H new ATOM 1302 N LYS A 81 -10.484 7.530 5.248 1.00 61.33 N ATOM 1303 CA LYS A 81 -10.630 8.914 5.649 1.00 34.43 C ATOM 1304 C LYS A 81 -10.295 9.804 4.462 1.00 31.20 C ATOM 1305 O LYS A 81 -9.107 9.893 4.118 1.00 23.54 O ATOM 1306 CB LYS A 81 -9.842 9.233 6.927 1.00 32.10 C ATOM 1307 CG LYS A 81 -10.483 8.621 8.183 1.00 53.13 C ATOM 1308 CD LYS A 81 -11.857 9.166 8.569 1.00 40.55 C ATOM 1309 CE LYS A 81 -12.335 8.426 9.818 1.00 42.03 C ATOM 1310 NZ LYS A 81 -13.538 9.063 10.377 1.00 20.43 N ATOM 0 H LYS A 81 -9.629 7.353 4.720 1.00 61.33 H new ATOM 0 HA LYS A 81 -11.664 9.116 5.928 1.00 34.43 H new ATOM 0 HB2 LYS A 81 -8.823 8.859 6.824 1.00 32.10 H new ATOM 0 HB3 LYS A 81 -9.774 10.314 7.048 1.00 32.10 H new ATOM 0 HG2 LYS A 81 -10.570 7.545 8.034 1.00 53.13 H new ATOM 0 HG3 LYS A 81 -9.805 8.773 9.023 1.00 53.13 H new ATOM 0 HD2 LYS A 81 -11.800 10.237 8.761 1.00 40.55 H new ATOM 0 HD3 LYS A 81 -12.564 9.026 7.751 1.00 40.55 H new ATOM 0 HE2 LYS A 81 -12.551 7.387 9.570 1.00 42.03 H new ATOM 0 HE3 LYS A 81 -11.542 8.417 10.566 1.00 42.03 H new ATOM 0 HZ1 LYS A 81 -13.844 8.543 11.224 1.00 20.43 H new ATOM 0 HZ2 LYS A 81 -13.322 10.047 10.634 1.00 20.43 H new ATOM 0 HZ3 LYS A 81 -14.299 9.049 9.669 1.00 20.43 H new ATOM 1324 N PRO A 82 -11.301 10.383 3.787 1.00 63.21 N ATOM 1325 CA PRO A 82 -11.091 11.281 2.659 1.00 60.35 C ATOM 1326 C PRO A 82 -10.497 12.597 3.179 1.00 1.35 C ATOM 1327 O PRO A 82 -10.336 12.752 4.393 1.00 42.35 O ATOM 1328 CB PRO A 82 -12.477 11.478 2.043 1.00 33.15 C ATOM 1329 CG PRO A 82 -13.418 11.312 3.232 1.00 1.35 C ATOM 1330 CD PRO A 82 -12.713 10.305 4.129 1.00 2.22 C ATOM 0 HA PRO A 82 -10.396 10.893 1.914 1.00 60.35 H new ATOM 0 HB2 PRO A 82 -12.577 12.462 1.585 1.00 33.15 H new ATOM 0 HB3 PRO A 82 -12.679 10.742 1.265 1.00 33.15 H new ATOM 0 HG2 PRO A 82 -13.580 12.259 3.747 1.00 1.35 H new ATOM 0 HG3 PRO A 82 -14.396 10.949 2.918 1.00 1.35 H new ATOM 0 HD2 PRO A 82 -12.873 10.540 5.181 1.00 2.22 H new ATOM 0 HD3 PRO A 82 -13.099 9.299 3.965 1.00 2.22 H new ATOM 1338 N ASP A 83 -10.172 13.545 2.288 1.00 33.15 N ATOM 1339 CA ASP A 83 -9.589 14.854 2.645 1.00 51.33 C ATOM 1340 C ASP A 83 -8.468 14.640 3.659 1.00 54.35 C ATOM 1341 O ASP A 83 -8.580 14.976 4.841 1.00 1.30 O ATOM 1342 CB ASP A 83 -10.646 15.823 3.175 1.00 11.04 C ATOM 1343 CG ASP A 83 -11.444 16.473 2.068 1.00 33.43 C ATOM 1344 OD1 ASP A 83 -10.891 17.340 1.357 1.00 43.22 O ATOM 1345 OD2 ASP A 83 -12.640 16.147 1.940 1.00 13.13 O ATOM 0 H ASP A 83 -10.307 13.426 1.284 1.00 33.15 H new ATOM 0 HA ASP A 83 -9.178 15.313 1.746 1.00 51.33 H new ATOM 0 HB2 ASP A 83 -11.323 15.288 3.840 1.00 11.04 H new ATOM 0 HB3 ASP A 83 -10.160 16.596 3.770 1.00 11.04 H new ATOM 1350 N THR A 84 -7.377 14.049 3.182 1.00 51.43 N ATOM 1351 CA THR A 84 -6.228 13.697 4.003 1.00 43.21 C ATOM 1352 C THR A 84 -4.875 14.151 3.452 1.00 20.22 C ATOM 1353 O THR A 84 -3.946 14.271 4.246 1.00 1.41 O ATOM 1354 CB THR A 84 -6.361 12.173 4.218 1.00 42.02 C ATOM 1355 OG1 THR A 84 -5.410 11.618 5.098 1.00 54.41 O ATOM 1356 CG2 THR A 84 -6.271 11.390 2.897 1.00 23.43 C ATOM 0 H THR A 84 -7.267 13.798 2.199 1.00 51.43 H new ATOM 0 HA THR A 84 -6.239 14.237 4.950 1.00 43.21 H new ATOM 0 HB THR A 84 -7.348 12.072 4.668 1.00 42.02 H new ATOM 0 HG1 THR A 84 -5.564 10.654 5.180 1.00 54.41 H new ATOM 0 HG21 THR A 84 -6.370 10.323 3.099 1.00 23.43 H new ATOM 0 HG22 THR A 84 -7.072 11.709 2.230 1.00 23.43 H new ATOM 0 HG23 THR A 84 -5.307 11.582 2.425 1.00 23.43 H new ATOM 1364 N ALA A 85 -4.773 14.470 2.154 1.00 54.41 N ATOM 1365 CA ALA A 85 -3.546 14.911 1.485 1.00 53.01 C ATOM 1366 C ALA A 85 -2.451 13.863 1.626 1.00 13.24 C ATOM 1367 O ALA A 85 -1.689 13.840 2.599 1.00 51.24 O ATOM 1368 CB ALA A 85 -3.116 16.304 1.945 1.00 74.42 C ATOM 0 H ALA A 85 -5.572 14.426 1.521 1.00 54.41 H new ATOM 0 HA ALA A 85 -3.751 15.009 0.419 1.00 53.01 H new ATOM 0 HB1 ALA A 85 -2.203 16.593 1.425 1.00 74.42 H new ATOM 0 HB2 ALA A 85 -3.905 17.021 1.719 1.00 74.42 H new ATOM 0 HB3 ALA A 85 -2.933 16.292 3.020 1.00 74.42 H new ATOM 1374 N ARG A 86 -2.453 12.914 0.689 1.00 32.41 N ATOM 1375 CA ARG A 86 -1.444 11.858 0.692 1.00 45.43 C ATOM 1376 C ARG A 86 -0.097 12.484 0.308 1.00 41.22 C ATOM 1377 O ARG A 86 0.005 13.687 0.062 1.00 23.51 O ATOM 1378 CB ARG A 86 -1.800 10.662 -0.207 1.00 44.43 C ATOM 1379 CG ARG A 86 -3.239 10.147 -0.093 1.00 74.23 C ATOM 1380 CD ARG A 86 -4.101 10.729 -1.215 1.00 34.42 C ATOM 1381 NE ARG A 86 -4.016 9.941 -2.456 1.00 25.30 N ATOM 1382 CZ ARG A 86 -4.397 10.355 -3.673 1.00 22.20 C ATOM 1383 NH1 ARG A 86 -4.585 11.643 -3.945 1.00 35.33 N ATOM 1384 NH2 ARG A 86 -4.597 9.450 -4.622 1.00 31.32 N ATOM 0 H ARG A 86 -3.132 12.856 -0.070 1.00 32.41 H new ATOM 0 HA ARG A 86 -1.391 11.434 1.695 1.00 45.43 H new ATOM 0 HB2 ARG A 86 -1.616 10.944 -1.244 1.00 44.43 H new ATOM 0 HB3 ARG A 86 -1.121 9.842 0.026 1.00 44.43 H new ATOM 0 HG2 ARG A 86 -3.248 9.058 -0.145 1.00 74.23 H new ATOM 0 HG3 ARG A 86 -3.656 10.423 0.876 1.00 74.23 H new ATOM 0 HD2 ARG A 86 -5.139 10.773 -0.886 1.00 34.42 H new ATOM 0 HD3 ARG A 86 -3.787 11.753 -1.416 1.00 34.42 H new ATOM 0 HE ARG A 86 -3.634 8.998 -2.383 1.00 25.30 H new ATOM 0 HH11 ARG A 86 -4.439 12.344 -3.219 1.00 35.33 H new ATOM 0 HH12 ARG A 86 -4.875 11.930 -4.880 1.00 35.33 H new ATOM 0 HH21 ARG A 86 -4.461 8.460 -4.419 1.00 31.32 H new ATOM 0 HH22 ARG A 86 -4.887 9.744 -5.554 1.00 31.32 H new ATOM 1398 N VAL A 87 0.940 11.667 0.284 1.00 24.41 N ATOM 1399 CA VAL A 87 2.296 12.058 -0.052 1.00 43.31 C ATOM 1400 C VAL A 87 2.862 11.000 -1.010 1.00 40.41 C ATOM 1401 O VAL A 87 2.333 9.880 -1.089 1.00 24.45 O ATOM 1402 CB VAL A 87 3.124 12.290 1.236 1.00 0.23 C ATOM 1403 CG1 VAL A 87 2.938 13.716 1.779 1.00 72.52 C ATOM 1404 CG2 VAL A 87 2.736 11.329 2.372 1.00 0.53 C ATOM 0 H VAL A 87 0.857 10.675 0.507 1.00 24.41 H new ATOM 0 HA VAL A 87 2.333 13.015 -0.572 1.00 43.31 H new ATOM 0 HB VAL A 87 4.158 12.116 0.939 1.00 0.23 H new ATOM 0 HG11 VAL A 87 3.534 13.842 2.683 1.00 72.52 H new ATOM 0 HG12 VAL A 87 3.262 14.436 1.028 1.00 72.52 H new ATOM 0 HG13 VAL A 87 1.886 13.882 2.012 1.00 72.52 H new ATOM 0 HG21 VAL A 87 3.348 11.537 3.250 1.00 0.53 H new ATOM 0 HG22 VAL A 87 1.684 11.467 2.622 1.00 0.53 H new ATOM 0 HG23 VAL A 87 2.900 10.301 2.051 1.00 0.53 H new ATOM 1414 N ASP A 88 3.863 11.385 -1.803 1.00 32.34 N ATOM 1415 CA ASP A 88 4.552 10.547 -2.783 1.00 13.43 C ATOM 1416 C ASP A 88 5.848 9.978 -2.191 1.00 5.22 C ATOM 1417 O ASP A 88 6.135 10.119 -0.997 1.00 51.32 O ATOM 1418 CB ASP A 88 4.757 11.307 -4.116 1.00 1.50 C ATOM 1419 CG ASP A 88 5.819 12.417 -4.117 1.00 74.34 C ATOM 1420 OD1 ASP A 88 5.852 13.202 -5.091 1.00 0.20 O ATOM 1421 OD2 ASP A 88 6.618 12.494 -3.170 1.00 0.01 O ATOM 0 H ASP A 88 4.232 12.335 -1.777 1.00 32.34 H new ATOM 0 HA ASP A 88 3.925 9.688 -3.025 1.00 13.43 H new ATOM 0 HB2 ASP A 88 5.022 10.581 -4.885 1.00 1.50 H new ATOM 0 HB3 ASP A 88 3.803 11.747 -4.408 1.00 1.50 H new ATOM 1426 N ILE A 89 6.620 9.262 -3.011 1.00 53.34 N ATOM 1427 CA ILE A 89 7.878 8.663 -2.583 1.00 61.44 C ATOM 1428 C ILE A 89 8.944 9.724 -2.271 1.00 5.05 C ATOM 1429 O ILE A 89 9.836 9.459 -1.456 1.00 2.21 O ATOM 1430 CB ILE A 89 8.397 7.664 -3.638 1.00 4.12 C ATOM 1431 CG1 ILE A 89 8.314 8.197 -5.082 1.00 61.43 C ATOM 1432 CG2 ILE A 89 7.616 6.351 -3.521 1.00 0.05 C ATOM 1433 CD1 ILE A 89 9.253 7.478 -6.052 1.00 51.04 C ATOM 0 H ILE A 89 6.388 9.083 -3.988 1.00 53.34 H new ATOM 0 HA ILE A 89 7.678 8.121 -1.659 1.00 61.44 H new ATOM 0 HB ILE A 89 9.455 7.504 -3.430 1.00 4.12 H new ATOM 0 HG12 ILE A 89 7.289 8.097 -5.439 1.00 61.43 H new ATOM 0 HG13 ILE A 89 8.549 9.261 -5.082 1.00 61.43 H new ATOM 0 HG21 ILE A 89 7.981 5.643 -4.265 1.00 0.05 H new ATOM 0 HG22 ILE A 89 7.755 5.933 -2.524 1.00 0.05 H new ATOM 0 HG23 ILE A 89 6.556 6.542 -3.690 1.00 0.05 H new ATOM 0 HD11 ILE A 89 9.142 7.904 -7.049 1.00 51.04 H new ATOM 0 HD12 ILE A 89 10.283 7.599 -5.718 1.00 51.04 H new ATOM 0 HD13 ILE A 89 9.004 6.417 -6.081 1.00 51.04 H new ATOM 1445 N TYR A 90 8.897 10.886 -2.912 1.00 73.31 N ATOM 1446 CA TYR A 90 9.845 11.971 -2.691 1.00 65.23 C ATOM 1447 C TYR A 90 9.436 12.755 -1.433 1.00 1.10 C ATOM 1448 O TYR A 90 10.259 13.476 -0.877 1.00 22.20 O ATOM 1449 CB TYR A 90 9.914 12.880 -3.933 1.00 62.21 C ATOM 1450 CG TYR A 90 10.749 12.393 -5.123 1.00 13.44 C ATOM 1451 CD1 TYR A 90 10.919 11.023 -5.422 1.00 53.22 C ATOM 1452 CD2 TYR A 90 11.392 13.344 -5.938 1.00 11.10 C ATOM 1453 CE1 TYR A 90 11.665 10.614 -6.542 1.00 61.53 C ATOM 1454 CE2 TYR A 90 12.154 12.945 -7.051 1.00 61.44 C ATOM 1455 CZ TYR A 90 12.290 11.574 -7.365 1.00 55.35 C ATOM 1456 OH TYR A 90 12.979 11.196 -8.475 1.00 21.44 O ATOM 0 H TYR A 90 8.187 11.104 -3.611 1.00 73.31 H new ATOM 0 HA TYR A 90 10.843 11.564 -2.531 1.00 65.23 H new ATOM 0 HB2 TYR A 90 8.896 13.048 -4.283 1.00 62.21 H new ATOM 0 HB3 TYR A 90 10.307 13.847 -3.620 1.00 62.21 H new ATOM 0 HD1 TYR A 90 10.470 10.279 -4.781 1.00 53.22 H new ATOM 0 HD2 TYR A 90 11.299 14.395 -5.705 1.00 11.10 H new ATOM 0 HE1 TYR A 90 11.759 9.563 -6.772 1.00 61.53 H new ATOM 0 HE2 TYR A 90 12.637 13.689 -7.668 1.00 61.44 H new ATOM 0 HH TYR A 90 13.342 11.990 -8.921 1.00 21.44 H new ATOM 1466 N GLY A 91 8.225 12.531 -0.909 1.00 33.20 N ATOM 1467 CA GLY A 91 7.677 13.194 0.259 1.00 32.13 C ATOM 1468 C GLY A 91 6.829 14.410 -0.090 1.00 32.41 C ATOM 1469 O GLY A 91 6.428 15.123 0.831 1.00 55.53 O ATOM 0 H GLY A 91 7.580 11.852 -1.312 1.00 33.20 H new ATOM 0 HA2 GLY A 91 7.070 12.484 0.822 1.00 32.13 H new ATOM 0 HA3 GLY A 91 8.494 13.503 0.911 1.00 32.13 H new ATOM 1473 N ASN A 92 6.588 14.686 -1.377 1.00 23.41 N ATOM 1474 CA ASN A 92 5.784 15.824 -1.798 1.00 13.41 C ATOM 1475 C ASN A 92 4.345 15.578 -1.440 1.00 74.32 C ATOM 1476 O ASN A 92 3.889 14.432 -1.420 1.00 24.44 O ATOM 1477 CB ASN A 92 5.789 16.029 -3.313 1.00 73.13 C ATOM 1478 CG ASN A 92 7.150 16.385 -3.851 1.00 62.24 C ATOM 1479 OD1 ASN A 92 7.701 17.411 -3.467 1.00 3.40 O ATOM 1480 ND2 ASN A 92 7.713 15.549 -4.706 1.00 13.12 N ATOM 0 H ASN A 92 6.947 14.124 -2.149 1.00 23.41 H new ATOM 0 HA ASN A 92 6.214 16.693 -1.301 1.00 13.41 H new ATOM 0 HB2 ASN A 92 5.438 15.119 -3.799 1.00 73.13 H new ATOM 0 HB3 ASN A 92 5.084 16.819 -3.570 1.00 73.13 H new ATOM 0 HD21 ASN A 92 8.644 15.746 -5.074 1.00 13.12 H new ATOM 0 HD22 ASN A 92 7.217 14.707 -4.998 1.00 13.12 H new ATOM 1487 N GLU A 93 3.632 16.657 -1.157 1.00 43.23 N ATOM 1488 CA GLU A 93 2.238 16.609 -0.838 1.00 11.35 C ATOM 1489 C GLU A 93 1.496 16.393 -2.150 1.00 54.51 C ATOM 1490 O GLU A 93 1.870 16.912 -3.209 1.00 13.42 O ATOM 1491 CB GLU A 93 1.861 17.896 -0.112 1.00 72.32 C ATOM 1492 CG GLU A 93 1.968 17.654 1.399 1.00 31.54 C ATOM 1493 CD GLU A 93 1.570 18.867 2.221 1.00 63.13 C ATOM 1494 OE1 GLU A 93 0.399 19.302 2.105 1.00 42.03 O ATOM 1495 OE2 GLU A 93 2.294 19.269 3.167 1.00 41.43 O ATOM 0 H GLU A 93 4.024 17.599 -1.146 1.00 43.23 H new ATOM 0 HA GLU A 93 1.973 15.794 -0.164 1.00 11.35 H new ATOM 0 HB2 GLU A 93 2.523 18.708 -0.413 1.00 72.32 H new ATOM 0 HB3 GLU A 93 0.847 18.197 -0.376 1.00 72.32 H new ATOM 0 HG2 GLU A 93 1.333 16.811 1.673 1.00 31.54 H new ATOM 0 HG3 GLU A 93 2.992 17.374 1.646 1.00 31.54 H new ATOM 1502 N VAL A 94 0.418 15.625 -2.074 1.00 5.44 N ATOM 1503 CA VAL A 94 -0.436 15.248 -3.181 1.00 42.01 C ATOM 1504 C VAL A 94 -1.877 15.638 -2.863 1.00 11.43 C ATOM 1505 O VAL A 94 -2.173 16.137 -1.771 1.00 52.01 O ATOM 1506 CB VAL A 94 -0.153 13.813 -3.678 1.00 41.12 C ATOM 1507 CG1 VAL A 94 1.346 13.464 -3.632 1.00 1.42 C ATOM 1508 CG2 VAL A 94 -0.953 12.732 -2.954 1.00 1.15 C ATOM 0 H VAL A 94 0.103 15.229 -1.188 1.00 5.44 H new ATOM 0 HA VAL A 94 -0.200 15.818 -4.080 1.00 42.01 H new ATOM 0 HB VAL A 94 -0.488 13.820 -4.715 1.00 41.12 H new ATOM 0 HG11 VAL A 94 1.494 12.445 -3.991 1.00 1.42 H new ATOM 0 HG12 VAL A 94 1.900 14.156 -4.266 1.00 1.42 H new ATOM 0 HG13 VAL A 94 1.707 13.543 -2.606 1.00 1.42 H new ATOM 0 HG21 VAL A 94 -0.696 11.754 -3.362 1.00 1.15 H new ATOM 0 HG22 VAL A 94 -0.716 12.755 -1.890 1.00 1.15 H new ATOM 0 HG23 VAL A 94 -2.019 12.914 -3.092 1.00 1.15 H new ATOM 1518 N ASP A 95 -2.792 15.356 -3.784 1.00 2.45 N ATOM 1519 CA ASP A 95 -4.194 15.720 -3.639 1.00 24.23 C ATOM 1520 C ASP A 95 -4.823 14.712 -2.669 1.00 20.10 C ATOM 1521 O ASP A 95 -4.138 13.829 -2.136 1.00 64.54 O ATOM 1522 CB ASP A 95 -4.892 15.591 -5.007 1.00 44.03 C ATOM 1523 CG ASP A 95 -4.245 16.396 -6.135 1.00 43.53 C ATOM 1524 OD1 ASP A 95 -4.891 17.322 -6.668 1.00 3.22 O ATOM 1525 OD2 ASP A 95 -3.066 16.128 -6.479 1.00 3.15 O ATOM 0 H ASP A 95 -2.580 14.867 -4.654 1.00 2.45 H new ATOM 0 HA ASP A 95 -4.297 16.742 -3.273 1.00 24.23 H new ATOM 0 HB2 ASP A 95 -4.908 14.539 -5.293 1.00 44.03 H new ATOM 0 HB3 ASP A 95 -5.929 15.909 -4.901 1.00 44.03 H new ATOM 1530 N VAL A 96 -6.132 14.756 -2.441 1.00 52.43 N ATOM 1531 CA VAL A 96 -6.756 13.878 -1.456 1.00 15.03 C ATOM 1532 C VAL A 96 -7.688 12.825 -2.033 1.00 74.13 C ATOM 1533 O VAL A 96 -8.040 12.851 -3.211 1.00 74.53 O ATOM 1534 CB VAL A 96 -7.512 14.777 -0.451 1.00 51.01 C ATOM 1535 CG1 VAL A 96 -6.673 15.966 0.039 1.00 1.13 C ATOM 1536 CG2 VAL A 96 -8.799 15.370 -1.023 1.00 20.11 C ATOM 0 H VAL A 96 -6.777 15.384 -2.920 1.00 52.43 H new ATOM 0 HA VAL A 96 -5.963 13.301 -0.981 1.00 15.03 H new ATOM 0 HB VAL A 96 -7.738 14.099 0.372 1.00 51.01 H new ATOM 0 HG11 VAL A 96 -7.258 16.559 0.742 1.00 1.13 H new ATOM 0 HG12 VAL A 96 -5.775 15.598 0.535 1.00 1.13 H new ATOM 0 HG13 VAL A 96 -6.389 16.586 -0.811 1.00 1.13 H new ATOM 0 HG21 VAL A 96 -9.281 15.990 -0.267 1.00 20.11 H new ATOM 0 HG22 VAL A 96 -8.563 15.979 -1.896 1.00 20.11 H new ATOM 0 HG23 VAL A 96 -9.473 14.564 -1.315 1.00 20.11 H new ATOM 1546 N VAL A 97 -8.007 11.837 -1.194 1.00 12.31 N ATOM 1547 CA VAL A 97 -8.936 10.780 -1.573 1.00 63.54 C ATOM 1548 C VAL A 97 -10.307 11.446 -1.406 1.00 43.03 C ATOM 1549 O VAL A 97 -10.563 12.030 -0.348 1.00 14.43 O ATOM 1550 CB VAL A 97 -8.802 9.515 -0.695 1.00 21.42 C ATOM 1551 CG1 VAL A 97 -9.575 8.352 -1.335 1.00 60.42 C ATOM 1552 CG2 VAL A 97 -7.343 9.073 -0.496 1.00 42.52 C ATOM 0 H VAL A 97 -7.634 11.750 -0.249 1.00 12.31 H new ATOM 0 HA VAL A 97 -8.753 10.412 -2.583 1.00 63.54 H new ATOM 0 HB VAL A 97 -9.212 9.773 0.281 1.00 21.42 H new ATOM 0 HG11 VAL A 97 -9.477 7.463 -0.712 1.00 60.42 H new ATOM 0 HG12 VAL A 97 -10.628 8.619 -1.422 1.00 60.42 H new ATOM 0 HG13 VAL A 97 -9.169 8.147 -2.326 1.00 60.42 H new ATOM 0 HG21 VAL A 97 -7.315 8.180 0.129 1.00 42.52 H new ATOM 0 HG22 VAL A 97 -6.894 8.852 -1.465 1.00 42.52 H new ATOM 0 HG23 VAL A 97 -6.783 9.873 -0.011 1.00 42.52 H new ATOM 1562 N THR A 98 -11.143 11.422 -2.438 1.00 74.34 N ATOM 1563 CA THR A 98 -12.474 12.014 -2.407 1.00 43.04 C ATOM 1564 C THR A 98 -13.395 11.201 -1.479 1.00 21.23 C ATOM 1565 O THR A 98 -13.152 10.006 -1.268 1.00 3.10 O ATOM 1566 CB THR A 98 -12.991 12.104 -3.853 1.00 21.30 C ATOM 1567 OG1 THR A 98 -12.668 10.930 -4.581 1.00 11.34 O ATOM 1568 CG2 THR A 98 -12.365 13.300 -4.575 1.00 72.13 C ATOM 0 H THR A 98 -10.912 10.985 -3.330 1.00 74.34 H new ATOM 0 HA THR A 98 -12.450 13.023 -1.994 1.00 43.04 H new ATOM 0 HB THR A 98 -14.074 12.221 -3.803 1.00 21.30 H new ATOM 0 HG1 THR A 98 -13.008 11.009 -5.497 1.00 11.34 H new ATOM 0 HG21 THR A 98 -12.743 13.347 -5.596 1.00 72.13 H new ATOM 0 HG22 THR A 98 -12.625 14.219 -4.049 1.00 72.13 H new ATOM 0 HG23 THR A 98 -11.281 13.187 -4.594 1.00 72.13 H new ATOM 1576 N PRO A 99 -14.493 11.784 -0.958 1.00 43.04 N ATOM 1577 CA PRO A 99 -15.398 11.092 -0.048 1.00 51.02 C ATOM 1578 C PRO A 99 -16.029 9.821 -0.606 1.00 35.12 C ATOM 1579 O PRO A 99 -16.203 8.874 0.167 1.00 63.13 O ATOM 1580 CB PRO A 99 -16.435 12.123 0.409 1.00 53.32 C ATOM 1581 CG PRO A 99 -16.357 13.230 -0.637 1.00 72.23 C ATOM 1582 CD PRO A 99 -14.906 13.170 -1.118 1.00 42.01 C ATOM 0 HA PRO A 99 -14.825 10.709 0.796 1.00 51.02 H new ATOM 0 HB2 PRO A 99 -17.434 11.689 0.454 1.00 53.32 H new ATOM 0 HB3 PRO A 99 -16.207 12.501 1.405 1.00 53.32 H new ATOM 0 HG2 PRO A 99 -17.058 13.059 -1.454 1.00 72.23 H new ATOM 0 HG3 PRO A 99 -16.598 14.203 -0.209 1.00 72.23 H new ATOM 0 HD2 PRO A 99 -14.826 13.484 -2.159 1.00 42.01 H new ATOM 0 HD3 PRO A 99 -14.272 13.837 -0.534 1.00 42.01 H new ATOM 1590 N GLU A 100 -16.367 9.774 -1.897 1.00 60.15 N ATOM 1591 CA GLU A 100 -16.972 8.587 -2.491 1.00 11.23 C ATOM 1592 C GLU A 100 -15.934 7.486 -2.646 1.00 73.22 C ATOM 1593 O GLU A 100 -16.159 6.337 -2.267 1.00 34.13 O ATOM 1594 CB GLU A 100 -17.586 8.901 -3.861 1.00 53.23 C ATOM 1595 CG GLU A 100 -18.984 9.492 -3.667 1.00 71.52 C ATOM 1596 CD GLU A 100 -19.966 8.465 -3.095 1.00 4.11 C ATOM 1597 OE1 GLU A 100 -20.043 7.342 -3.641 1.00 63.23 O ATOM 1598 OE2 GLU A 100 -20.601 8.788 -2.064 1.00 62.44 O ATOM 0 H GLU A 100 -16.230 10.547 -2.549 1.00 60.15 H new ATOM 0 HA GLU A 100 -17.765 8.252 -1.822 1.00 11.23 H new ATOM 0 HB2 GLU A 100 -16.954 9.604 -4.403 1.00 53.23 H new ATOM 0 HB3 GLU A 100 -17.643 7.994 -4.463 1.00 53.23 H new ATOM 0 HG2 GLU A 100 -18.925 10.350 -2.997 1.00 71.52 H new ATOM 0 HG3 GLU A 100 -19.359 9.859 -4.623 1.00 71.52 H new ATOM 1605 N GLN A 101 -14.774 7.816 -3.212 1.00 35.53 N ATOM 1606 CA GLN A 101 -13.761 6.800 -3.409 1.00 73.45 C ATOM 1607 C GLN A 101 -13.194 6.273 -2.088 1.00 54.33 C ATOM 1608 O GLN A 101 -12.864 5.080 -2.024 1.00 4.30 O ATOM 1609 CB GLN A 101 -12.670 7.289 -4.351 1.00 0.24 C ATOM 1610 CG GLN A 101 -13.214 7.679 -5.739 1.00 15.01 C ATOM 1611 CD GLN A 101 -12.121 7.637 -6.806 1.00 32.24 C ATOM 1612 OE1 GLN A 101 -11.470 6.608 -6.992 1.00 72.33 O ATOM 1613 NE2 GLN A 101 -11.922 8.699 -7.562 1.00 64.22 N ATOM 0 H GLN A 101 -14.523 8.752 -3.531 1.00 35.53 H new ATOM 0 HA GLN A 101 -14.247 5.949 -3.886 1.00 73.45 H new ATOM 0 HB2 GLN A 101 -12.170 8.150 -3.906 1.00 0.24 H new ATOM 0 HB3 GLN A 101 -11.918 6.508 -4.466 1.00 0.24 H new ATOM 0 HG2 GLN A 101 -14.021 7.001 -6.017 1.00 15.01 H new ATOM 0 HG3 GLN A 101 -13.641 8.681 -5.694 1.00 15.01 H new ATOM 0 HE21 GLN A 101 -12.465 9.548 -7.402 1.00 64.22 H new ATOM 0 HE22 GLN A 101 -11.225 8.672 -8.307 1.00 64.22 H new ATOM 1622 N ALA A 102 -13.118 7.105 -1.046 1.00 1.12 N ATOM 1623 CA ALA A 102 -12.601 6.670 0.241 1.00 21.12 C ATOM 1624 C ALA A 102 -13.565 5.672 0.888 1.00 60.32 C ATOM 1625 O ALA A 102 -13.158 4.556 1.207 1.00 74.43 O ATOM 1626 CB ALA A 102 -12.402 7.882 1.168 1.00 53.02 C ATOM 0 H ALA A 102 -13.409 8.082 -1.075 1.00 1.12 H new ATOM 0 HA ALA A 102 -11.639 6.181 0.084 1.00 21.12 H new ATOM 0 HB1 ALA A 102 -12.014 7.545 2.129 1.00 53.02 H new ATOM 0 HB2 ALA A 102 -11.694 8.575 0.714 1.00 53.02 H new ATOM 0 HB3 ALA A 102 -13.357 8.386 1.318 1.00 53.02 H new ATOM 1632 N LYS A 103 -14.859 6.003 0.976 1.00 23.13 N ATOM 1633 CA LYS A 103 -15.851 5.133 1.609 1.00 55.53 C ATOM 1634 C LYS A 103 -15.983 3.804 0.908 1.00 64.53 C ATOM 1635 O LYS A 103 -16.262 2.817 1.585 1.00 43.51 O ATOM 1636 CB LYS A 103 -17.214 5.826 1.798 1.00 43.42 C ATOM 1637 CG LYS A 103 -18.024 5.949 0.493 1.00 4.53 C ATOM 1638 CD LYS A 103 -19.295 6.795 0.585 1.00 44.12 C ATOM 1639 CE LYS A 103 -20.361 6.193 1.507 1.00 40.43 C ATOM 1640 NZ LYS A 103 -21.522 7.096 1.641 1.00 74.51 N ATOM 0 H LYS A 103 -15.243 6.875 0.613 1.00 23.13 H new ATOM 0 HA LYS A 103 -15.471 4.922 2.609 1.00 55.53 H new ATOM 0 HB2 LYS A 103 -17.799 5.268 2.529 1.00 43.42 H new ATOM 0 HB3 LYS A 103 -17.053 6.821 2.212 1.00 43.42 H new ATOM 0 HG2 LYS A 103 -17.379 6.375 -0.276 1.00 4.53 H new ATOM 0 HG3 LYS A 103 -18.298 4.948 0.160 1.00 4.53 H new ATOM 0 HD2 LYS A 103 -19.035 7.791 0.944 1.00 44.12 H new ATOM 0 HD3 LYS A 103 -19.715 6.916 -0.413 1.00 44.12 H new ATOM 0 HE2 LYS A 103 -20.688 5.232 1.110 1.00 40.43 H new ATOM 0 HE3 LYS A 103 -19.930 6.002 2.490 1.00 40.43 H new ATOM 0 HZ1 LYS A 103 -22.228 6.663 2.271 1.00 74.51 H new ATOM 0 HZ2 LYS A 103 -21.211 8.004 2.042 1.00 74.51 H new ATOM 0 HZ3 LYS A 103 -21.946 7.258 0.705 1.00 74.51 H new ATOM 1654 N TYR A 104 -15.740 3.759 -0.399 1.00 24.22 N ATOM 1655 CA TYR A 104 -15.821 2.558 -1.215 1.00 63.22 C ATOM 1656 C TYR A 104 -14.964 1.429 -0.640 1.00 71.13 C ATOM 1657 O TYR A 104 -15.286 0.260 -0.836 1.00 52.01 O ATOM 1658 CB TYR A 104 -15.463 2.874 -2.671 1.00 13.43 C ATOM 1659 CG TYR A 104 -16.649 2.617 -3.564 1.00 1.24 C ATOM 1660 CD1 TYR A 104 -17.608 3.627 -3.748 1.00 34.54 C ATOM 1661 CD2 TYR A 104 -16.876 1.323 -4.059 1.00 24.51 C ATOM 1662 CE1 TYR A 104 -18.832 3.327 -4.370 1.00 63.44 C ATOM 1663 CE2 TYR A 104 -18.076 1.034 -4.726 1.00 24.52 C ATOM 1664 CZ TYR A 104 -19.064 2.026 -4.874 1.00 42.42 C ATOM 1665 OH TYR A 104 -20.218 1.719 -5.520 1.00 24.32 O ATOM 0 H TYR A 104 -15.473 4.586 -0.933 1.00 24.22 H new ATOM 0 HA TYR A 104 -16.851 2.202 -1.199 1.00 63.22 H new ATOM 0 HB2 TYR A 104 -15.151 3.915 -2.759 1.00 13.43 H new ATOM 0 HB3 TYR A 104 -14.620 2.260 -2.988 1.00 13.43 H new ATOM 0 HD1 TYR A 104 -17.405 4.633 -3.412 1.00 34.54 H new ATOM 0 HD2 TYR A 104 -16.130 0.553 -3.927 1.00 24.51 H new ATOM 0 HE1 TYR A 104 -19.593 4.088 -4.463 1.00 63.44 H new ATOM 0 HE2 TYR A 104 -18.243 0.046 -5.128 1.00 24.52 H new ATOM 0 HH TYR A 104 -20.198 0.779 -5.796 1.00 24.32 H new ATOM 1675 N ALA A 105 -13.894 1.776 0.085 1.00 74.25 N ATOM 1676 CA ALA A 105 -12.999 0.821 0.718 1.00 55.21 C ATOM 1677 C ALA A 105 -13.775 -0.161 1.611 1.00 33.20 C ATOM 1678 O ALA A 105 -13.320 -1.291 1.804 1.00 61.12 O ATOM 1679 CB ALA A 105 -11.985 1.597 1.552 1.00 52.32 C ATOM 0 H ALA A 105 -13.628 2.747 0.246 1.00 74.25 H new ATOM 0 HA ALA A 105 -12.493 0.236 -0.050 1.00 55.21 H new ATOM 0 HB1 ALA A 105 -11.302 0.899 2.037 1.00 52.32 H new ATOM 0 HB2 ALA A 105 -11.419 2.268 0.905 1.00 52.32 H new ATOM 0 HB3 ALA A 105 -12.508 2.179 2.311 1.00 52.32 H new ATOM 1685 N TYR A 106 -14.916 0.254 2.177 1.00 75.11 N ATOM 1686 CA TYR A 106 -15.735 -0.594 3.034 1.00 65.24 C ATOM 1687 C TYR A 106 -16.156 -1.875 2.331 1.00 51.23 C ATOM 1688 O TYR A 106 -16.208 -2.917 2.983 1.00 43.34 O ATOM 1689 CB TYR A 106 -16.945 0.169 3.595 1.00 51.12 C ATOM 1690 CG TYR A 106 -18.265 0.073 2.828 1.00 64.31 C ATOM 1691 CD1 TYR A 106 -18.390 0.559 1.510 1.00 72.35 C ATOM 1692 CD2 TYR A 106 -19.385 -0.517 3.447 1.00 64.21 C ATOM 1693 CE1 TYR A 106 -19.632 0.528 0.850 1.00 51.54 C ATOM 1694 CE2 TYR A 106 -20.620 -0.586 2.779 1.00 41.51 C ATOM 1695 CZ TYR A 106 -20.759 -0.038 1.485 1.00 64.53 C ATOM 1696 OH TYR A 106 -21.970 -0.060 0.860 1.00 2.20 O ATOM 0 H TYR A 106 -15.293 1.193 2.049 1.00 75.11 H new ATOM 0 HA TYR A 106 -15.114 -0.886 3.881 1.00 65.24 H new ATOM 0 HB2 TYR A 106 -17.121 -0.183 4.611 1.00 51.12 H new ATOM 0 HB3 TYR A 106 -16.674 1.222 3.665 1.00 51.12 H new ATOM 0 HD1 TYR A 106 -17.524 0.959 1.003 1.00 72.35 H new ATOM 0 HD2 TYR A 106 -19.294 -0.920 4.445 1.00 64.21 H new ATOM 0 HE1 TYR A 106 -19.724 0.938 -0.145 1.00 51.54 H new ATOM 0 HE2 TYR A 106 -21.465 -1.059 3.257 1.00 41.51 H new ATOM 0 HH TYR A 106 -22.631 -0.488 1.443 1.00 2.20 H new ATOM 1706 N GLN A 107 -16.420 -1.818 1.021 1.00 42.12 N ATOM 1707 CA GLN A 107 -16.818 -2.985 0.259 1.00 21.42 C ATOM 1708 C GLN A 107 -15.684 -3.991 0.321 1.00 4.13 C ATOM 1709 O GLN A 107 -15.889 -5.131 0.710 1.00 53.34 O ATOM 1710 CB GLN A 107 -17.127 -2.630 -1.191 1.00 45.23 C ATOM 1711 CG GLN A 107 -18.331 -1.693 -1.309 1.00 42.42 C ATOM 1712 CD GLN A 107 -19.126 -1.886 -2.594 1.00 54.44 C ATOM 1713 OE1 GLN A 107 -20.349 -1.784 -2.576 1.00 65.55 O ATOM 1714 NE2 GLN A 107 -18.502 -2.148 -3.726 1.00 42.21 N ATOM 0 H GLN A 107 -16.361 -0.961 0.470 1.00 42.12 H new ATOM 0 HA GLN A 107 -17.730 -3.402 0.687 1.00 21.42 H new ATOM 0 HB2 GLN A 107 -16.255 -2.157 -1.642 1.00 45.23 H new ATOM 0 HB3 GLN A 107 -17.322 -3.543 -1.754 1.00 45.23 H new ATOM 0 HG2 GLN A 107 -18.990 -1.852 -0.456 1.00 42.42 H new ATOM 0 HG3 GLN A 107 -17.985 -0.661 -1.257 1.00 42.42 H new ATOM 0 HE21 GLN A 107 -17.486 -2.233 -3.740 1.00 42.21 H new ATOM 0 HE22 GLN A 107 -19.036 -2.266 -4.587 1.00 42.21 H new ATOM 1723 N ARG A 108 -14.467 -3.557 -0.006 1.00 1.50 N ATOM 1724 CA ARG A 108 -13.279 -4.401 0.009 1.00 43.43 C ATOM 1725 C ARG A 108 -13.089 -5.018 1.395 1.00 12.44 C ATOM 1726 O ARG A 108 -12.644 -6.162 1.500 1.00 41.32 O ATOM 1727 CB ARG A 108 -12.056 -3.577 -0.429 1.00 15.02 C ATOM 1728 CG ARG A 108 -12.262 -2.705 -1.682 1.00 15.31 C ATOM 1729 CD ARG A 108 -12.534 -3.535 -2.945 1.00 64.53 C ATOM 1730 NE ARG A 108 -13.130 -2.728 -4.016 1.00 73.55 N ATOM 1731 CZ ARG A 108 -12.507 -1.844 -4.804 1.00 62.21 C ATOM 1732 NH1 ARG A 108 -11.188 -1.668 -4.751 1.00 52.24 N ATOM 1733 NH2 ARG A 108 -13.218 -1.120 -5.653 1.00 11.22 N ATOM 0 H ARG A 108 -14.279 -2.596 -0.292 1.00 1.50 H new ATOM 0 HA ARG A 108 -13.399 -5.222 -0.697 1.00 43.43 H new ATOM 0 HB2 ARG A 108 -11.759 -2.931 0.398 1.00 15.02 H new ATOM 0 HB3 ARG A 108 -11.227 -4.260 -0.614 1.00 15.02 H new ATOM 0 HG2 ARG A 108 -13.097 -2.025 -1.513 1.00 15.31 H new ATOM 0 HG3 ARG A 108 -11.376 -2.090 -1.841 1.00 15.31 H new ATOM 0 HD2 ARG A 108 -11.601 -3.974 -3.298 1.00 64.53 H new ATOM 0 HD3 ARG A 108 -13.202 -4.361 -2.699 1.00 64.53 H new ATOM 0 HE ARG A 108 -14.129 -2.855 -4.178 1.00 73.55 H new ATOM 0 HH11 ARG A 108 -10.626 -2.214 -4.098 1.00 52.24 H new ATOM 0 HH12 ARG A 108 -10.739 -0.987 -5.364 1.00 52.24 H new ATOM 0 HH21 ARG A 108 -14.230 -1.239 -5.702 1.00 11.22 H new ATOM 0 HH22 ARG A 108 -12.754 -0.443 -6.259 1.00 11.22 H new ATOM 1747 N TYR A 109 -13.428 -4.302 2.470 1.00 62.12 N ATOM 1748 CA TYR A 109 -13.300 -4.833 3.816 1.00 64.14 C ATOM 1749 C TYR A 109 -14.315 -5.960 4.031 1.00 40.32 C ATOM 1750 O TYR A 109 -13.938 -7.057 4.433 1.00 72.33 O ATOM 1751 CB TYR A 109 -13.506 -3.704 4.833 1.00 11.05 C ATOM 1752 CG TYR A 109 -13.326 -4.123 6.281 1.00 61.41 C ATOM 1753 CD1 TYR A 109 -14.339 -4.861 6.925 1.00 53.11 C ATOM 1754 CD2 TYR A 109 -12.150 -3.795 6.984 1.00 52.23 C ATOM 1755 CE1 TYR A 109 -14.164 -5.302 8.245 1.00 73.24 C ATOM 1756 CE2 TYR A 109 -11.985 -4.205 8.319 1.00 12.14 C ATOM 1757 CZ TYR A 109 -12.994 -4.963 8.953 1.00 11.23 C ATOM 1758 OH TYR A 109 -12.857 -5.372 10.240 1.00 33.53 O ATOM 0 H TYR A 109 -13.794 -3.351 2.427 1.00 62.12 H new ATOM 0 HA TYR A 109 -12.301 -5.246 3.955 1.00 64.14 H new ATOM 0 HB2 TYR A 109 -12.805 -2.899 4.611 1.00 11.05 H new ATOM 0 HB3 TYR A 109 -14.509 -3.297 4.707 1.00 11.05 H new ATOM 0 HD1 TYR A 109 -15.255 -5.088 6.400 1.00 53.11 H new ATOM 0 HD2 TYR A 109 -11.372 -3.227 6.496 1.00 52.23 H new ATOM 0 HE1 TYR A 109 -14.927 -5.902 8.719 1.00 73.24 H new ATOM 0 HE2 TYR A 109 -11.088 -3.941 8.859 1.00 12.14 H new ATOM 0 HH TYR A 109 -11.997 -5.061 10.592 1.00 33.53 H new ATOM 1768 N GLN A 110 -15.602 -5.702 3.780 1.00 12.14 N ATOM 1769 CA GLN A 110 -16.668 -6.683 3.963 1.00 12.34 C ATOM 1770 C GLN A 110 -16.533 -7.846 2.991 1.00 4.05 C ATOM 1771 O GLN A 110 -17.006 -8.930 3.301 1.00 11.42 O ATOM 1772 CB GLN A 110 -18.090 -6.084 3.936 1.00 43.14 C ATOM 1773 CG GLN A 110 -18.461 -5.489 2.570 1.00 34.51 C ATOM 1774 CD GLN A 110 -19.935 -5.167 2.371 1.00 34.14 C ATOM 1775 OE1 GLN A 110 -20.537 -5.633 1.410 1.00 3.20 O ATOM 1776 NE2 GLN A 110 -20.540 -4.347 3.212 1.00 4.30 N ATOM 0 H GLN A 110 -15.933 -4.798 3.442 1.00 12.14 H new ATOM 0 HA GLN A 110 -16.535 -7.066 4.975 1.00 12.34 H new ATOM 0 HB2 GLN A 110 -18.810 -6.859 4.197 1.00 43.14 H new ATOM 0 HB3 GLN A 110 -18.167 -5.308 4.698 1.00 43.14 H new ATOM 0 HG2 GLN A 110 -17.885 -4.575 2.423 1.00 34.51 H new ATOM 0 HG3 GLN A 110 -18.152 -6.189 1.793 1.00 34.51 H new ATOM 0 HE21 GLN A 110 -20.029 -3.965 4.008 1.00 4.30 H new ATOM 0 HE22 GLN A 110 -21.518 -4.096 3.065 1.00 4.30 H new ATOM 1785 N GLU A 111 -15.956 -7.642 1.812 1.00 40.41 N ATOM 1786 CA GLU A 111 -15.792 -8.682 0.806 1.00 1.21 C ATOM 1787 C GLU A 111 -15.090 -9.900 1.398 1.00 13.33 C ATOM 1788 O GLU A 111 -15.547 -11.023 1.195 1.00 62.23 O ATOM 1789 CB GLU A 111 -14.920 -8.129 -0.337 1.00 3.20 C ATOM 1790 CG GLU A 111 -15.706 -7.393 -1.422 1.00 42.02 C ATOM 1791 CD GLU A 111 -16.121 -8.375 -2.507 1.00 4.14 C ATOM 1792 OE1 GLU A 111 -15.380 -8.498 -3.503 1.00 45.03 O ATOM 1793 OE2 GLU A 111 -17.180 -9.025 -2.348 1.00 20.22 O ATOM 0 H GLU A 111 -15.584 -6.736 1.525 1.00 40.41 H new ATOM 0 HA GLU A 111 -16.776 -8.978 0.443 1.00 1.21 H new ATOM 0 HB2 GLU A 111 -14.178 -7.450 0.083 1.00 3.20 H new ATOM 0 HB3 GLU A 111 -14.374 -8.954 -0.795 1.00 3.20 H new ATOM 0 HG2 GLU A 111 -16.587 -6.920 -0.989 1.00 42.02 H new ATOM 0 HG3 GLU A 111 -15.096 -6.598 -1.851 1.00 42.02 H new ATOM 1800 N ARG A 112 -14.003 -9.667 2.146 1.00 72.14 N ATOM 1801 CA ARG A 112 -13.226 -10.746 2.752 1.00 24.42 C ATOM 1802 C ARG A 112 -13.394 -10.921 4.252 1.00 51.32 C ATOM 1803 O ARG A 112 -13.335 -12.045 4.740 1.00 55.12 O ATOM 1804 CB ARG A 112 -11.751 -10.599 2.378 1.00 5.13 C ATOM 1805 CG ARG A 112 -11.508 -10.551 0.854 1.00 13.14 C ATOM 1806 CD ARG A 112 -10.340 -11.436 0.404 1.00 31.42 C ATOM 1807 NE ARG A 112 -10.728 -12.857 0.361 1.00 12.05 N ATOM 1808 CZ ARG A 112 -9.939 -13.930 0.497 1.00 2.04 C ATOM 1809 NH1 ARG A 112 -8.657 -13.803 0.827 1.00 72.51 N ATOM 1810 NH2 ARG A 112 -10.427 -15.150 0.303 1.00 14.34 N ATOM 0 H ARG A 112 -13.644 -8.733 2.344 1.00 72.14 H new ATOM 0 HA ARG A 112 -13.638 -11.664 2.334 1.00 24.42 H new ATOM 0 HB2 ARG A 112 -11.358 -9.688 2.830 1.00 5.13 H new ATOM 0 HB3 ARG A 112 -11.191 -11.433 2.802 1.00 5.13 H new ATOM 0 HG2 ARG A 112 -12.415 -10.866 0.337 1.00 13.14 H new ATOM 0 HG3 ARG A 112 -11.312 -9.521 0.555 1.00 13.14 H new ATOM 0 HD2 ARG A 112 -10.001 -11.120 -0.582 1.00 31.42 H new ATOM 0 HD3 ARG A 112 -9.500 -11.307 1.086 1.00 31.42 H new ATOM 0 HE ARG A 112 -11.719 -13.046 0.209 1.00 12.05 H new ATOM 0 HH11 ARG A 112 -8.259 -12.876 0.981 1.00 72.51 H new ATOM 0 HH12 ARG A 112 -8.071 -14.632 0.926 1.00 72.51 H new ATOM 0 HH21 ARG A 112 -11.407 -15.273 0.049 1.00 14.34 H new ATOM 0 HH22 ARG A 112 -9.822 -15.964 0.408 1.00 14.34 H new ATOM 1824 N TYR A 113 -13.544 -9.825 4.991 1.00 13.02 N ATOM 1825 CA TYR A 113 -13.683 -9.827 6.446 1.00 43.35 C ATOM 1826 C TYR A 113 -15.150 -9.723 6.890 1.00 20.51 C ATOM 1827 O TYR A 113 -15.427 -9.457 8.065 1.00 53.54 O ATOM 1828 CB TYR A 113 -12.807 -8.702 7.039 1.00 43.23 C ATOM 1829 CG TYR A 113 -11.433 -8.507 6.393 1.00 54.51 C ATOM 1830 CD1 TYR A 113 -11.072 -7.244 5.876 1.00 34.24 C ATOM 1831 CD2 TYR A 113 -10.522 -9.579 6.287 1.00 12.55 C ATOM 1832 CE1 TYR A 113 -9.835 -7.052 5.232 1.00 21.44 C ATOM 1833 CE2 TYR A 113 -9.269 -9.388 5.673 1.00 2.02 C ATOM 1834 CZ TYR A 113 -8.931 -8.131 5.121 1.00 5.04 C ATOM 1835 OH TYR A 113 -7.755 -7.980 4.452 1.00 51.44 O ATOM 0 H TYR A 113 -13.573 -8.889 4.586 1.00 13.02 H new ATOM 0 HA TYR A 113 -13.332 -10.784 6.833 1.00 43.35 H new ATOM 0 HB2 TYR A 113 -13.357 -7.764 6.965 1.00 43.23 H new ATOM 0 HB3 TYR A 113 -12.662 -8.904 8.100 1.00 43.23 H new ATOM 0 HD1 TYR A 113 -11.755 -6.413 5.976 1.00 34.24 H new ATOM 0 HD2 TYR A 113 -10.787 -10.550 6.678 1.00 12.55 H new ATOM 0 HE1 TYR A 113 -9.579 -6.085 4.825 1.00 21.44 H new ATOM 0 HE2 TYR A 113 -8.564 -10.205 5.624 1.00 2.02 H new ATOM 0 HH TYR A 113 -7.718 -7.085 4.053 1.00 51.44 H new ATOM 1845 N GLY A 114 -16.107 -9.851 5.971 1.00 21.53 N ATOM 1846 CA GLY A 114 -17.539 -9.789 6.230 1.00 12.33 C ATOM 1847 C GLY A 114 -18.315 -10.732 5.312 1.00 53.51 C ATOM 1848 O GLY A 114 -17.730 -11.450 4.498 1.00 63.33 O ATOM 0 H GLY A 114 -15.893 -10.007 4.986 1.00 21.53 H new ATOM 0 HA2 GLY A 114 -17.733 -10.050 7.270 1.00 12.33 H new ATOM 0 HA3 GLY A 114 -17.892 -8.768 6.087 1.00 12.33 H new