USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 594 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 MET CE :methyl -168:sc= -0.0722 (180deg=-0.339) USER MOD Set 1.2: A 54 CYS SG : rot -120:sc= -3.02! USER MOD Single : A 12 ASN : amide:sc= -0.456 K(o=-0.46,f=-2.7) USER MOD Single : A 21 LYS NZ :NH3+ -161:sc= -0.0573 (180deg=-0.383) USER MOD Single : A 23 HIS :FLIP no HE2:sc= 0.207 F(o=-0.87,f=0.21) USER MOD Single : A 24 SER OG : rot 85:sc= 1.14 USER MOD Single : A 26 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0766) USER MOD Single : A 28 ASN : amide:sc= 0.785 K(o=0.78,f=-0.47) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -1.94! C(o=-1.9!,f=-3.3!) USER MOD Single : A 37 LYS NZ :NH3+ -139:sc= -0.369 (180deg=-2.01!) USER MOD Single : A 42 MET CE :methyl -177:sc= -0.948 (180deg=-1.06) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 72:sc= 1.08 USER MOD Single : A 59 MET CE :methyl 149:sc= -1.73 (180deg=-3.85!) USER MOD Single : A 60 TYR OH : rot -118:sc= -0.437 USER MOD Single : A 68 HIS :FLIP no HD1:sc=-0.00627 F(o=-1.3,f=-0.0063) USER MOD Single : A 70 THR OG1 : rot -40:sc= 0.889 USER MOD Single : A 71 GLN : amide:sc= -0.498 K(o=-0.5,f=-5!) USER MOD Single : A 76 MET CE :methyl -161:sc= -0.078 (180deg=-0.555) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -161:sc= -0.0897 (180deg=-0.569) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 164 N PRO A 11 1.098 -16.572 -0.627 1.00 23.11 N ATOM 165 CA PRO A 11 2.094 -15.610 -0.114 1.00 43.04 C ATOM 166 C PRO A 11 1.847 -15.218 1.355 1.00 55.30 C ATOM 167 O PRO A 11 0.792 -14.676 1.703 1.00 4.02 O ATOM 168 CB PRO A 11 1.937 -14.393 -1.040 1.00 12.12 C ATOM 169 CG PRO A 11 0.569 -14.526 -1.620 1.00 4.44 C ATOM 170 CD PRO A 11 0.309 -16.006 -1.740 1.00 2.21 C ATOM 0 HA PRO A 11 3.099 -16.033 -0.118 1.00 43.04 H new ATOM 0 HB2 PRO A 11 2.043 -13.460 -0.487 1.00 12.12 H new ATOM 0 HB3 PRO A 11 2.698 -14.389 -1.820 1.00 12.12 H new ATOM 0 HG2 PRO A 11 -0.174 -14.050 -0.980 1.00 4.44 H new ATOM 0 HG3 PRO A 11 0.509 -14.039 -2.594 1.00 4.44 H new ATOM 0 HD2 PRO A 11 -0.751 -16.239 -1.643 1.00 2.21 H new ATOM 0 HD3 PRO A 11 0.634 -16.396 -2.705 1.00 2.21 H new ATOM 178 N ASN A 12 2.829 -15.506 2.211 1.00 4.04 N ATOM 179 CA ASN A 12 2.747 -15.188 3.644 1.00 34.43 C ATOM 180 C ASN A 12 2.571 -13.677 3.885 1.00 71.13 C ATOM 181 O ASN A 12 3.052 -12.850 3.105 1.00 13.22 O ATOM 182 CB ASN A 12 4.013 -15.692 4.359 1.00 50.35 C ATOM 183 CG ASN A 12 4.026 -15.378 5.848 1.00 2.51 C ATOM 184 OD1 ASN A 12 2.984 -15.309 6.491 1.00 20.32 O ATOM 185 ND2 ASN A 12 5.203 -15.176 6.403 1.00 34.43 N ATOM 0 H ASN A 12 3.699 -15.963 1.937 1.00 4.04 H new ATOM 0 HA ASN A 12 1.869 -15.690 4.050 1.00 34.43 H new ATOM 0 HB2 ASN A 12 4.096 -16.770 4.221 1.00 50.35 H new ATOM 0 HB3 ASN A 12 4.889 -15.243 3.892 1.00 50.35 H new ATOM 0 HD21 ASN A 12 5.267 -14.955 7.397 1.00 34.43 H new ATOM 0 HD22 ASN A 12 6.051 -15.241 5.839 1.00 34.43 H new ATOM 192 N GLU A 13 1.885 -13.335 4.973 1.00 63.32 N ATOM 193 CA GLU A 13 1.669 -11.939 5.372 1.00 22.02 C ATOM 194 C GLU A 13 2.989 -11.150 5.400 1.00 31.34 C ATOM 195 O GLU A 13 3.124 -10.114 4.747 1.00 25.02 O ATOM 196 CB GLU A 13 0.983 -11.910 6.749 1.00 31.42 C ATOM 197 CG GLU A 13 0.771 -10.512 7.335 1.00 44.44 C ATOM 198 CD GLU A 13 1.533 -10.305 8.638 1.00 64.31 C ATOM 199 OE1 GLU A 13 1.055 -10.786 9.693 1.00 15.01 O ATOM 200 OE2 GLU A 13 2.613 -9.684 8.607 1.00 55.21 O ATOM 0 H GLU A 13 1.462 -14.014 5.605 1.00 63.32 H new ATOM 0 HA GLU A 13 1.026 -11.457 4.635 1.00 22.02 H new ATOM 0 HB2 GLU A 13 0.015 -12.404 6.667 1.00 31.42 H new ATOM 0 HB3 GLU A 13 1.581 -12.494 7.449 1.00 31.42 H new ATOM 0 HG2 GLU A 13 1.090 -9.765 6.608 1.00 44.44 H new ATOM 0 HG3 GLU A 13 -0.293 -10.352 7.510 1.00 44.44 H new ATOM 207 N GLU A 14 3.966 -11.671 6.132 1.00 31.54 N ATOM 208 CA GLU A 14 5.282 -11.034 6.246 1.00 15.50 C ATOM 209 C GLU A 14 6.047 -11.044 4.904 1.00 72.41 C ATOM 210 O GLU A 14 6.886 -10.176 4.646 1.00 41.22 O ATOM 211 CB GLU A 14 6.095 -11.733 7.339 1.00 33.51 C ATOM 212 CG GLU A 14 5.364 -11.797 8.677 1.00 30.34 C ATOM 213 CD GLU A 14 6.163 -12.500 9.761 1.00 45.13 C ATOM 214 OE1 GLU A 14 6.491 -13.692 9.585 1.00 63.12 O ATOM 215 OE2 GLU A 14 6.450 -11.875 10.805 1.00 61.54 O ATOM 0 H GLU A 14 3.875 -12.539 6.661 1.00 31.54 H new ATOM 0 HA GLU A 14 5.132 -9.989 6.517 1.00 15.50 H new ATOM 0 HB2 GLU A 14 6.336 -12.745 7.014 1.00 33.51 H new ATOM 0 HB3 GLU A 14 7.041 -11.208 7.473 1.00 33.51 H new ATOM 0 HG2 GLU A 14 5.131 -10.784 9.005 1.00 30.34 H new ATOM 0 HG3 GLU A 14 4.414 -12.315 8.541 1.00 30.34 H new ATOM 222 N ALA A 15 5.757 -12.031 4.055 1.00 34.22 N ATOM 223 CA ALA A 15 6.383 -12.131 2.730 1.00 11.35 C ATOM 224 C ALA A 15 5.919 -10.997 1.802 1.00 22.01 C ATOM 225 O ALA A 15 6.733 -10.316 1.180 1.00 21.12 O ATOM 226 CB ALA A 15 6.079 -13.484 2.099 1.00 54.13 C ATOM 0 H ALA A 15 5.091 -12.776 4.260 1.00 34.22 H new ATOM 0 HA ALA A 15 7.460 -12.036 2.865 1.00 11.35 H new ATOM 0 HB1 ALA A 15 6.550 -13.542 1.118 1.00 54.13 H new ATOM 0 HB2 ALA A 15 6.468 -14.278 2.736 1.00 54.13 H new ATOM 0 HB3 ALA A 15 5.001 -13.601 1.991 1.00 54.13 H new ATOM 232 N ARG A 16 4.604 -10.797 1.712 1.00 22.00 N ATOM 233 CA ARG A 16 4.050 -9.705 0.901 1.00 52.30 C ATOM 234 C ARG A 16 4.350 -8.340 1.538 1.00 45.31 C ATOM 235 O ARG A 16 4.515 -7.338 0.835 1.00 72.23 O ATOM 236 CB ARG A 16 2.542 -9.893 0.663 1.00 24.35 C ATOM 237 CG ARG A 16 1.698 -9.979 1.930 1.00 25.54 C ATOM 238 CD ARG A 16 0.244 -10.324 1.608 1.00 0.54 C ATOM 239 NE ARG A 16 -0.573 -10.455 2.810 1.00 45.43 N ATOM 240 CZ ARG A 16 -1.012 -11.591 3.281 1.00 74.12 C ATOM 241 NH1 ARG A 16 -0.715 -12.710 2.699 1.00 63.01 N ATOM 242 NH2 ARG A 16 -1.747 -11.609 4.342 1.00 53.32 N ATOM 0 H ARG A 16 3.905 -11.370 2.185 1.00 22.00 H new ATOM 0 HA ARG A 16 4.539 -9.733 -0.073 1.00 52.30 H new ATOM 0 HB2 ARG A 16 2.178 -9.063 0.057 1.00 24.35 H new ATOM 0 HB3 ARG A 16 2.391 -10.802 0.081 1.00 24.35 H new ATOM 0 HG2 ARG A 16 2.114 -10.735 2.596 1.00 25.54 H new ATOM 0 HG3 ARG A 16 1.739 -9.028 2.462 1.00 25.54 H new ATOM 0 HD2 ARG A 16 -0.178 -9.549 0.967 1.00 0.54 H new ATOM 0 HD3 ARG A 16 0.210 -11.257 1.045 1.00 0.54 H new ATOM 0 HE ARG A 16 -0.817 -9.603 3.315 1.00 45.43 H new ATOM 0 HH11 ARG A 16 -0.132 -12.711 1.862 1.00 63.01 H new ATOM 0 HH12 ARG A 16 -1.065 -13.590 3.078 1.00 63.01 H new ATOM 0 HH21 ARG A 16 -1.985 -10.736 4.812 1.00 53.32 H new ATOM 0 HH22 ARG A 16 -2.090 -12.496 4.710 1.00 53.32 H new ATOM 256 N LEU A 17 4.411 -8.307 2.870 1.00 4.12 N ATOM 257 CA LEU A 17 4.858 -7.117 3.605 1.00 61.14 C ATOM 258 C LEU A 17 6.225 -6.627 3.096 1.00 51.15 C ATOM 259 O LEU A 17 6.447 -5.425 2.927 1.00 10.21 O ATOM 260 CB LEU A 17 4.946 -7.424 5.108 1.00 33.43 C ATOM 261 CG LEU A 17 5.575 -6.317 5.976 1.00 12.31 C ATOM 262 CD1 LEU A 17 4.795 -5.015 5.844 1.00 54.54 C ATOM 263 CD2 LEU A 17 5.660 -6.754 7.437 1.00 63.51 C ATOM 0 H LEU A 17 4.156 -9.094 3.467 1.00 4.12 H new ATOM 0 HA LEU A 17 4.126 -6.327 3.437 1.00 61.14 H new ATOM 0 HB2 LEU A 17 3.941 -7.626 5.479 1.00 33.43 H new ATOM 0 HB3 LEU A 17 5.524 -8.338 5.241 1.00 33.43 H new ATOM 0 HG LEU A 17 6.589 -6.141 5.616 1.00 12.31 H new ATOM 0 HD11 LEU A 17 5.258 -4.249 6.466 1.00 54.54 H new ATOM 0 HD12 LEU A 17 4.802 -4.691 4.803 1.00 54.54 H new ATOM 0 HD13 LEU A 17 3.766 -5.173 6.168 1.00 54.54 H new ATOM 0 HD21 LEU A 17 6.107 -5.956 8.030 1.00 63.51 H new ATOM 0 HD22 LEU A 17 4.659 -6.967 7.812 1.00 63.51 H new ATOM 0 HD23 LEU A 17 6.275 -7.651 7.513 1.00 63.51 H new ATOM 275 N ASP A 18 7.138 -7.567 2.858 1.00 43.42 N ATOM 276 CA ASP A 18 8.471 -7.238 2.347 1.00 14.52 C ATOM 277 C ASP A 18 8.377 -6.528 0.986 1.00 23.12 C ATOM 278 O ASP A 18 9.061 -5.531 0.744 1.00 11.15 O ATOM 279 CB ASP A 18 9.319 -8.509 2.231 1.00 52.12 C ATOM 280 CG ASP A 18 10.788 -8.202 2.008 1.00 51.34 C ATOM 281 OD1 ASP A 18 11.417 -7.626 2.921 1.00 74.23 O ATOM 282 OD2 ASP A 18 11.328 -8.536 0.933 1.00 42.03 O ATOM 0 H ASP A 18 6.981 -8.563 3.010 1.00 43.42 H new ATOM 0 HA ASP A 18 8.951 -6.557 3.050 1.00 14.52 H new ATOM 0 HB2 ASP A 18 9.208 -9.102 3.139 1.00 52.12 H new ATOM 0 HB3 ASP A 18 8.948 -9.117 1.406 1.00 52.12 H new ATOM 287 N ILE A 19 7.504 -7.039 0.115 1.00 13.15 N ATOM 288 CA ILE A 19 7.254 -6.423 -1.196 1.00 44.02 C ATOM 289 C ILE A 19 6.790 -4.965 -1.032 1.00 72.14 C ATOM 290 O ILE A 19 7.289 -4.056 -1.701 1.00 14.32 O ATOM 291 CB ILE A 19 6.169 -7.200 -1.985 1.00 14.25 C ATOM 292 CG1 ILE A 19 6.474 -8.706 -2.000 1.00 43.10 C ATOM 293 CG2 ILE A 19 6.056 -6.663 -3.413 1.00 54.32 C ATOM 294 CD1 ILE A 19 5.344 -9.542 -2.570 1.00 63.45 C ATOM 0 H ILE A 19 6.955 -7.880 0.292 1.00 13.15 H new ATOM 0 HA ILE A 19 8.193 -6.454 -1.749 1.00 44.02 H new ATOM 0 HB ILE A 19 5.214 -7.052 -1.482 1.00 14.25 H new ATOM 0 HG12 ILE A 19 7.377 -8.881 -2.585 1.00 43.10 H new ATOM 0 HG13 ILE A 19 6.684 -9.037 -0.983 1.00 43.10 H new ATOM 0 HG21 ILE A 19 5.290 -7.220 -3.952 1.00 54.32 H new ATOM 0 HG22 ILE A 19 5.785 -5.608 -3.384 1.00 54.32 H new ATOM 0 HG23 ILE A 19 7.013 -6.778 -3.922 1.00 54.32 H new ATOM 0 HD11 ILE A 19 5.625 -10.595 -2.551 1.00 63.45 H new ATOM 0 HD12 ILE A 19 4.445 -9.396 -1.971 1.00 63.45 H new ATOM 0 HD13 ILE A 19 5.149 -9.237 -3.598 1.00 63.45 H new ATOM 306 N LEU A 20 5.830 -4.761 -0.129 1.00 73.43 N ATOM 307 CA LEU A 20 5.341 -3.420 0.211 1.00 22.12 C ATOM 308 C LEU A 20 6.497 -2.502 0.636 1.00 74.11 C ATOM 309 O LEU A 20 6.587 -1.351 0.201 1.00 42.32 O ATOM 310 CB LEU A 20 4.298 -3.519 1.333 1.00 24.33 C ATOM 311 CG LEU A 20 3.002 -4.257 0.952 1.00 15.14 C ATOM 312 CD1 LEU A 20 2.198 -4.635 2.194 1.00 63.43 C ATOM 313 CD2 LEU A 20 2.156 -3.403 0.008 1.00 41.41 C ATOM 0 H LEU A 20 5.371 -5.513 0.385 1.00 73.43 H new ATOM 0 HA LEU A 20 4.877 -2.985 -0.674 1.00 22.12 H new ATOM 0 HB2 LEU A 20 4.750 -4.026 2.185 1.00 24.33 H new ATOM 0 HB3 LEU A 20 4.042 -2.511 1.661 1.00 24.33 H new ATOM 0 HG LEU A 20 3.279 -5.177 0.436 1.00 15.14 H new ATOM 0 HD11 LEU A 20 1.288 -5.155 1.894 1.00 63.43 H new ATOM 0 HD12 LEU A 20 2.796 -5.288 2.830 1.00 63.43 H new ATOM 0 HD13 LEU A 20 1.935 -3.733 2.746 1.00 63.43 H new ATOM 0 HD21 LEU A 20 1.244 -3.941 -0.250 1.00 41.41 H new ATOM 0 HD22 LEU A 20 1.897 -2.465 0.499 1.00 41.41 H new ATOM 0 HD23 LEU A 20 2.723 -3.193 -0.899 1.00 41.41 H new ATOM 325 N LYS A 21 7.388 -3.026 1.477 1.00 1.22 N ATOM 326 CA LYS A 21 8.579 -2.285 1.907 1.00 45.23 C ATOM 327 C LYS A 21 9.483 -1.922 0.718 1.00 24.03 C ATOM 328 O LYS A 21 10.072 -0.841 0.687 1.00 40.41 O ATOM 329 CB LYS A 21 9.377 -3.100 2.933 1.00 23.12 C ATOM 330 CG LYS A 21 8.692 -3.240 4.289 1.00 33.32 C ATOM 331 CD LYS A 21 9.542 -4.047 5.269 1.00 33.40 C ATOM 332 CE LYS A 21 8.995 -3.963 6.689 1.00 74.33 C ATOM 333 NZ LYS A 21 9.080 -2.579 7.229 1.00 52.12 N ATOM 0 H LYS A 21 7.310 -3.962 1.876 1.00 1.22 H new ATOM 0 HA LYS A 21 8.236 -1.359 2.368 1.00 45.23 H new ATOM 0 HB2 LYS A 21 9.561 -4.095 2.527 1.00 23.12 H new ATOM 0 HB3 LYS A 21 10.350 -2.630 3.077 1.00 23.12 H new ATOM 0 HG2 LYS A 21 8.499 -2.251 4.703 1.00 33.32 H new ATOM 0 HG3 LYS A 21 7.725 -3.726 4.160 1.00 33.32 H new ATOM 0 HD2 LYS A 21 9.573 -5.089 4.952 1.00 33.40 H new ATOM 0 HD3 LYS A 21 10.567 -3.678 5.251 1.00 33.40 H new ATOM 0 HE2 LYS A 21 7.957 -4.295 6.700 1.00 74.33 H new ATOM 0 HE3 LYS A 21 9.553 -4.641 7.335 1.00 74.33 H new ATOM 0 HZ1 LYS A 21 9.012 -2.606 8.266 1.00 52.12 H new ATOM 0 HZ2 LYS A 21 9.988 -2.154 6.953 1.00 52.12 H new ATOM 0 HZ3 LYS A 21 8.300 -2.008 6.846 1.00 52.12 H new ATOM 347 N ILE A 22 9.587 -2.829 -0.254 1.00 5.22 N ATOM 348 CA ILE A 22 10.441 -2.614 -1.432 1.00 5.54 C ATOM 349 C ILE A 22 9.930 -1.453 -2.311 1.00 22.32 C ATOM 350 O ILE A 22 10.693 -0.557 -2.676 1.00 2.02 O ATOM 351 CB ILE A 22 10.548 -3.901 -2.295 1.00 13.14 C ATOM 352 CG1 ILE A 22 11.171 -5.046 -1.478 1.00 21.22 C ATOM 353 CG2 ILE A 22 11.365 -3.641 -3.564 1.00 54.31 C ATOM 354 CD1 ILE A 22 11.254 -6.362 -2.225 1.00 52.02 C ATOM 0 H ILE A 22 9.092 -3.721 -0.253 1.00 5.22 H new ATOM 0 HA ILE A 22 11.429 -2.353 -1.052 1.00 5.54 H new ATOM 0 HB ILE A 22 9.542 -4.195 -2.594 1.00 13.14 H new ATOM 0 HG12 ILE A 22 12.174 -4.753 -1.167 1.00 21.22 H new ATOM 0 HG13 ILE A 22 10.585 -5.192 -0.570 1.00 21.22 H new ATOM 0 HG21 ILE A 22 11.426 -4.557 -4.152 1.00 54.31 H new ATOM 0 HG22 ILE A 22 10.882 -2.862 -4.154 1.00 54.31 H new ATOM 0 HG23 ILE A 22 12.370 -3.318 -3.290 1.00 54.31 H new ATOM 0 HD11 ILE A 22 11.704 -7.118 -1.582 1.00 52.02 H new ATOM 0 HD12 ILE A 22 10.252 -6.681 -2.513 1.00 52.02 H new ATOM 0 HD13 ILE A 22 11.865 -6.235 -3.119 1.00 52.02 H new ATOM 366 N HIS A 23 8.638 -1.468 -2.644 1.00 44.34 N ATOM 367 CA HIS A 23 8.054 -0.431 -3.513 1.00 73.20 C ATOM 368 C HIS A 23 7.954 0.929 -2.800 1.00 62.53 C ATOM 369 O HIS A 23 8.176 1.978 -3.408 1.00 4.54 O ATOM 370 CB HIS A 23 6.668 -0.865 -4.008 1.00 44.51 C ATOM 371 CG HIS A 23 6.703 -2.033 -4.945 1.00 74.01 C ATOM 372 ND1 HIS A 23 6.788 -3.361 -4.704 1.00 12.02 N flip ATOM 373 CD2 HIS A 23 6.639 -1.902 -6.315 1.00 11.23 C flip ATOM 374 CE1 HIS A 23 6.773 -3.998 -5.918 1.00 54.55 C flip ATOM 375 NE2 HIS A 23 6.682 -3.094 -6.871 1.00 10.42 N flip ATOM 0 H HIS A 23 7.976 -2.178 -2.331 1.00 44.34 H new ATOM 0 HA HIS A 23 8.722 -0.311 -4.366 1.00 73.20 H new ATOM 0 HB2 HIS A 23 6.048 -1.118 -3.148 1.00 44.51 H new ATOM 0 HB3 HIS A 23 6.190 -0.023 -4.509 1.00 44.51 H new ATOM 0 HD1 HIS A 23 6.852 -3.806 -3.789 1.00 12.02 H new ATOM 0 HD2 HIS A 23 6.565 -0.966 -6.850 1.00 11.23 H new ATOM 0 HE1 HIS A 23 6.827 -5.066 -6.068 1.00 54.55 H new ATOM 384 N SER A 24 7.635 0.906 -1.506 1.00 34.12 N ATOM 385 CA SER A 24 7.478 2.144 -0.718 1.00 65.22 C ATOM 386 C SER A 24 8.794 2.935 -0.599 1.00 11.33 C ATOM 387 O SER A 24 8.789 4.096 -0.192 1.00 33.41 O ATOM 388 CB SER A 24 6.931 1.824 0.679 1.00 75.23 C ATOM 389 OG SER A 24 5.655 1.206 0.598 1.00 71.51 O ATOM 0 H SER A 24 7.479 0.049 -0.975 1.00 34.12 H new ATOM 0 HA SER A 24 6.766 2.773 -1.253 1.00 65.22 H new ATOM 0 HB2 SER A 24 7.625 1.166 1.203 1.00 75.23 H new ATOM 0 HB3 SER A 24 6.858 2.741 1.264 1.00 75.23 H new ATOM 0 HG SER A 24 5.767 0.241 0.465 1.00 71.51 H new ATOM 395 N ARG A 25 9.915 2.308 -0.971 1.00 61.31 N ATOM 396 CA ARG A 25 11.232 2.971 -0.950 1.00 10.11 C ATOM 397 C ARG A 25 11.279 4.203 -1.876 1.00 1.04 C ATOM 398 O ARG A 25 12.155 5.061 -1.738 1.00 43.44 O ATOM 399 CB ARG A 25 12.331 1.976 -1.368 1.00 10.35 C ATOM 400 CG ARG A 25 12.533 0.821 -0.388 1.00 4.32 C ATOM 401 CD ARG A 25 13.456 -0.262 -0.952 1.00 12.00 C ATOM 402 NE ARG A 25 14.817 0.216 -1.197 1.00 60.20 N ATOM 403 CZ ARG A 25 15.860 -0.572 -1.289 1.00 74.53 C ATOM 404 NH1 ARG A 25 15.734 -1.857 -1.153 1.00 61.32 N ATOM 405 NH2 ARG A 25 17.029 -0.069 -1.516 1.00 22.01 N ATOM 0 H ARG A 25 9.941 1.340 -1.292 1.00 61.31 H new ATOM 0 HA ARG A 25 11.404 3.313 0.071 1.00 10.11 H new ATOM 0 HB2 ARG A 25 12.083 1.568 -2.348 1.00 10.35 H new ATOM 0 HB3 ARG A 25 13.272 2.515 -1.476 1.00 10.35 H new ATOM 0 HG2 ARG A 25 12.952 1.205 0.542 1.00 4.32 H new ATOM 0 HG3 ARG A 25 11.566 0.381 -0.144 1.00 4.32 H new ATOM 0 HD2 ARG A 25 13.491 -1.100 -0.256 1.00 12.00 H new ATOM 0 HD3 ARG A 25 13.036 -0.640 -1.884 1.00 12.00 H new ATOM 0 HE ARG A 25 14.962 1.220 -1.302 1.00 60.20 H new ATOM 0 HH11 ARG A 25 14.816 -2.263 -0.973 1.00 61.32 H new ATOM 0 HH12 ARG A 25 16.553 -2.460 -1.227 1.00 61.32 H new ATOM 0 HH21 ARG A 25 17.138 0.939 -1.623 1.00 22.01 H new ATOM 0 HH22 ARG A 25 17.842 -0.681 -1.588 1.00 22.01 H new ATOM 419 N LYS A 26 10.338 4.287 -2.819 1.00 35.23 N ATOM 420 CA LYS A 26 10.329 5.370 -3.815 1.00 21.31 C ATOM 421 C LYS A 26 9.260 6.440 -3.517 1.00 43.01 C ATOM 422 O LYS A 26 9.052 7.351 -4.317 1.00 71.25 O ATOM 423 CB LYS A 26 10.098 4.781 -5.216 1.00 75.02 C ATOM 424 CG LYS A 26 11.068 3.659 -5.582 1.00 1.41 C ATOM 425 CD LYS A 26 12.526 4.119 -5.558 1.00 4.20 C ATOM 426 CE LYS A 26 13.490 2.971 -5.855 1.00 31.32 C ATOM 427 NZ LYS A 26 13.279 2.392 -7.210 1.00 42.32 N ATOM 0 H LYS A 26 9.572 3.621 -2.917 1.00 35.23 H new ATOM 0 HA LYS A 26 11.300 5.863 -3.767 1.00 21.31 H new ATOM 0 HB2 LYS A 26 9.078 4.401 -5.276 1.00 75.02 H new ATOM 0 HB3 LYS A 26 10.185 5.579 -5.954 1.00 75.02 H new ATOM 0 HG2 LYS A 26 10.940 2.830 -4.886 1.00 1.41 H new ATOM 0 HG3 LYS A 26 10.825 3.282 -6.575 1.00 1.41 H new ATOM 0 HD2 LYS A 26 12.669 4.912 -6.292 1.00 4.20 H new ATOM 0 HD3 LYS A 26 12.757 4.544 -4.581 1.00 4.20 H new ATOM 0 HE2 LYS A 26 14.516 3.330 -5.772 1.00 31.32 H new ATOM 0 HE3 LYS A 26 13.364 2.190 -5.105 1.00 31.32 H new ATOM 0 HZ1 LYS A 26 14.047 1.725 -7.426 1.00 42.32 H new ATOM 0 HZ2 LYS A 26 12.368 1.891 -7.235 1.00 42.32 H new ATOM 0 HZ3 LYS A 26 13.274 3.155 -7.917 1.00 42.32 H new ATOM 441 N MET A 27 8.580 6.338 -2.371 1.00 2.13 N ATOM 442 CA MET A 27 7.525 7.306 -2.017 1.00 22.41 C ATOM 443 C MET A 27 7.752 7.925 -0.627 1.00 51.21 C ATOM 444 O MET A 27 8.404 7.336 0.233 1.00 72.20 O ATOM 445 CB MET A 27 6.138 6.644 -2.073 1.00 25.41 C ATOM 446 CG MET A 27 5.772 6.089 -3.446 1.00 73.33 C ATOM 447 SD MET A 27 4.041 5.586 -3.559 1.00 64.23 S ATOM 448 CE MET A 27 3.922 4.391 -2.229 1.00 72.45 C ATOM 0 H MET A 27 8.735 5.606 -1.677 1.00 2.13 H new ATOM 0 HA MET A 27 7.571 8.109 -2.753 1.00 22.41 H new ATOM 0 HB2 MET A 27 6.103 5.835 -1.344 1.00 25.41 H new ATOM 0 HB3 MET A 27 5.386 7.374 -1.775 1.00 25.41 H new ATOM 0 HG2 MET A 27 5.976 6.845 -4.205 1.00 73.33 H new ATOM 0 HG3 MET A 27 6.410 5.233 -3.669 1.00 73.33 H new ATOM 0 HE1 MET A 27 2.982 3.845 -2.313 1.00 72.45 H new ATOM 0 HE2 MET A 27 4.755 3.691 -2.293 1.00 72.45 H new ATOM 0 HE3 MET A 27 3.956 4.909 -1.270 1.00 72.45 H new ATOM 458 N ASN A 28 7.198 9.122 -0.420 1.00 62.14 N ATOM 459 CA ASN A 28 7.309 9.832 0.862 1.00 31.01 C ATOM 460 C ASN A 28 6.273 9.309 1.873 1.00 32.32 C ATOM 461 O ASN A 28 5.102 9.689 1.828 1.00 72.05 O ATOM 462 CB ASN A 28 7.117 11.341 0.633 1.00 14.20 C ATOM 463 CG ASN A 28 7.262 12.160 1.903 1.00 70.12 C ATOM 464 OD1 ASN A 28 8.003 11.802 2.809 1.00 62.21 O ATOM 465 ND2 ASN A 28 6.556 13.269 1.976 1.00 1.22 N ATOM 0 H ASN A 28 6.664 9.625 -1.128 1.00 62.14 H new ATOM 0 HA ASN A 28 8.301 9.652 1.276 1.00 31.01 H new ATOM 0 HB2 ASN A 28 7.846 11.687 -0.100 1.00 14.20 H new ATOM 0 HB3 ASN A 28 6.129 11.515 0.207 1.00 14.20 H new ATOM 0 HD21 ASN A 28 6.617 13.859 2.806 1.00 1.22 H new ATOM 0 HD22 ASN A 28 5.948 13.538 1.203 1.00 1.22 H new ATOM 472 N LEU A 29 6.705 8.430 2.779 1.00 50.32 N ATOM 473 CA LEU A 29 5.797 7.806 3.752 1.00 43.43 C ATOM 474 C LEU A 29 5.576 8.688 4.991 1.00 62.11 C ATOM 475 O LEU A 29 6.453 9.459 5.390 1.00 74.11 O ATOM 476 CB LEU A 29 6.345 6.441 4.193 1.00 4.30 C ATOM 477 CG LEU A 29 6.571 5.420 3.067 1.00 12.23 C ATOM 478 CD1 LEU A 29 7.114 4.115 3.640 1.00 1.51 C ATOM 479 CD2 LEU A 29 5.280 5.174 2.283 1.00 11.44 C ATOM 0 H LEU A 29 7.677 8.132 2.862 1.00 50.32 H new ATOM 0 HA LEU A 29 4.836 7.679 3.253 1.00 43.43 H new ATOM 0 HB2 LEU A 29 7.291 6.600 4.710 1.00 4.30 H new ATOM 0 HB3 LEU A 29 5.654 6.009 4.917 1.00 4.30 H new ATOM 0 HG LEU A 29 7.308 5.828 2.375 1.00 12.23 H new ATOM 0 HD11 LEU A 29 7.270 3.400 2.832 1.00 1.51 H new ATOM 0 HD12 LEU A 29 8.062 4.305 4.144 1.00 1.51 H new ATOM 0 HD13 LEU A 29 6.399 3.706 4.354 1.00 1.51 H new ATOM 0 HD21 LEU A 29 5.467 4.448 1.492 1.00 11.44 H new ATOM 0 HD22 LEU A 29 4.514 4.789 2.956 1.00 11.44 H new ATOM 0 HD23 LEU A 29 4.938 6.110 1.842 1.00 11.44 H new ATOM 491 N THR A 30 4.394 8.566 5.596 1.00 0.44 N ATOM 492 CA THR A 30 4.079 9.291 6.834 1.00 2.13 C ATOM 493 C THR A 30 4.792 8.674 8.046 1.00 4.22 C ATOM 494 O THR A 30 5.107 7.482 8.060 1.00 2.00 O ATOM 495 CB THR A 30 2.555 9.313 7.120 1.00 0.20 C ATOM 496 OG1 THR A 30 2.277 10.159 8.249 1.00 22.02 O ATOM 497 CG2 THR A 30 2.015 7.911 7.385 1.00 14.35 C ATOM 0 H THR A 30 3.638 7.974 5.252 1.00 0.44 H new ATOM 0 HA THR A 30 4.431 10.311 6.682 1.00 2.13 H new ATOM 0 HB THR A 30 2.057 9.707 6.234 1.00 0.20 H new ATOM 0 HG1 THR A 30 1.312 10.168 8.421 1.00 22.02 H new ATOM 0 HG21 THR A 30 0.944 7.965 7.582 1.00 14.35 H new ATOM 0 HG22 THR A 30 2.193 7.282 6.513 1.00 14.35 H new ATOM 0 HG23 THR A 30 2.522 7.483 8.250 1.00 14.35 H new ATOM 505 N ARG A 31 5.036 9.489 9.066 1.00 3.30 N ATOM 506 CA ARG A 31 5.692 9.016 10.289 1.00 31.44 C ATOM 507 C ARG A 31 4.769 8.094 11.098 1.00 21.41 C ATOM 508 O ARG A 31 3.632 8.452 11.414 1.00 54.42 O ATOM 509 CB ARG A 31 6.148 10.204 11.157 1.00 14.21 C ATOM 510 CG ARG A 31 7.414 10.901 10.655 1.00 73.21 C ATOM 511 CD ARG A 31 7.220 11.573 9.300 1.00 35.32 C ATOM 512 NE ARG A 31 8.464 12.159 8.810 1.00 21.55 N ATOM 513 CZ ARG A 31 8.571 12.881 7.731 1.00 10.32 C ATOM 514 NH1 ARG A 31 7.534 13.151 7.003 1.00 12.12 N ATOM 515 NH2 ARG A 31 9.728 13.331 7.380 1.00 23.40 N ATOM 0 H ARG A 31 4.792 10.479 9.075 1.00 3.30 H new ATOM 0 HA ARG A 31 6.569 8.441 9.990 1.00 31.44 H new ATOM 0 HB2 ARG A 31 5.340 10.934 11.206 1.00 14.21 H new ATOM 0 HB3 ARG A 31 6.320 9.851 12.174 1.00 14.21 H new ATOM 0 HG2 ARG A 31 7.726 11.648 11.385 1.00 73.21 H new ATOM 0 HG3 ARG A 31 8.220 10.171 10.582 1.00 73.21 H new ATOM 0 HD2 ARG A 31 6.852 10.842 8.580 1.00 35.32 H new ATOM 0 HD3 ARG A 31 6.459 12.349 9.383 1.00 35.32 H new ATOM 0 HE ARG A 31 9.311 11.991 9.352 1.00 21.55 H new ATOM 0 HH11 ARG A 31 6.616 12.797 7.272 1.00 12.12 H new ATOM 0 HH12 ARG A 31 7.636 13.718 6.161 1.00 12.12 H new ATOM 0 HH21 ARG A 31 10.550 13.121 7.946 1.00 23.40 H new ATOM 0 HH22 ARG A 31 9.821 13.897 6.537 1.00 23.40 H new ATOM 529 N GLY A 32 5.265 6.903 11.428 1.00 33.34 N ATOM 530 CA GLY A 32 4.478 5.943 12.195 1.00 64.30 C ATOM 531 C GLY A 32 3.553 5.096 11.326 1.00 61.22 C ATOM 532 O GLY A 32 2.586 4.512 11.821 1.00 14.03 O ATOM 0 H GLY A 32 6.201 6.583 11.178 1.00 33.34 H new ATOM 0 HA2 GLY A 32 5.152 5.286 12.745 1.00 64.30 H new ATOM 0 HA3 GLY A 32 3.882 6.479 12.934 1.00 64.30 H new ATOM 536 N ILE A 33 3.842 5.030 10.026 1.00 10.11 N ATOM 537 CA ILE A 33 3.055 4.207 9.100 1.00 52.31 C ATOM 538 C ILE A 33 3.307 2.704 9.335 1.00 63.14 C ATOM 539 O ILE A 33 4.437 2.283 9.594 1.00 43.20 O ATOM 540 CB ILE A 33 3.367 4.570 7.623 1.00 41.12 C ATOM 541 CG1 ILE A 33 2.403 3.845 6.665 1.00 54.31 C ATOM 542 CG2 ILE A 33 4.823 4.250 7.279 1.00 61.40 C ATOM 543 CD1 ILE A 33 2.596 4.208 5.207 1.00 42.21 C ATOM 0 H ILE A 33 4.613 5.534 9.589 1.00 10.11 H new ATOM 0 HA ILE A 33 2.004 4.417 9.296 1.00 52.31 H new ATOM 0 HB ILE A 33 3.220 5.643 7.500 1.00 41.12 H new ATOM 0 HG12 ILE A 33 2.532 2.769 6.781 1.00 54.31 H new ATOM 0 HG13 ILE A 33 1.378 4.076 6.954 1.00 54.31 H new ATOM 0 HG21 ILE A 33 5.017 4.513 6.239 1.00 61.40 H new ATOM 0 HG22 ILE A 33 5.485 4.823 7.928 1.00 61.40 H new ATOM 0 HG23 ILE A 33 5.006 3.185 7.424 1.00 61.40 H new ATOM 0 HD11 ILE A 33 1.881 3.657 4.597 1.00 42.21 H new ATOM 0 HD12 ILE A 33 2.437 5.278 5.074 1.00 42.21 H new ATOM 0 HD13 ILE A 33 3.609 3.951 4.899 1.00 42.21 H new ATOM 555 N ASN A 34 2.253 1.896 9.245 1.00 22.41 N ATOM 556 CA ASN A 34 2.357 0.459 9.523 1.00 2.32 C ATOM 557 C ASN A 34 1.898 -0.384 8.321 1.00 21.03 C ATOM 558 O ASN A 34 0.703 -0.612 8.118 1.00 13.51 O ATOM 559 CB ASN A 34 1.535 0.117 10.772 1.00 30.31 C ATOM 560 CG ASN A 34 1.583 -1.357 11.125 1.00 20.02 C ATOM 561 OD1 ASN A 34 2.545 -2.055 10.826 1.00 55.23 O ATOM 562 ND2 ASN A 34 0.543 -1.842 11.763 1.00 33.12 N ATOM 0 H ASN A 34 1.318 2.208 8.983 1.00 22.41 H new ATOM 0 HA ASN A 34 3.404 0.218 9.704 1.00 2.32 H new ATOM 0 HB2 ASN A 34 1.906 0.700 11.615 1.00 30.31 H new ATOM 0 HB3 ASN A 34 0.498 0.413 10.611 1.00 30.31 H new ATOM 0 HD21 ASN A 34 0.519 -2.828 12.025 1.00 33.12 H new ATOM 0 HD22 ASN A 34 -0.241 -1.233 11.997 1.00 33.12 H new ATOM 569 N LEU A 35 2.861 -0.856 7.535 1.00 34.03 N ATOM 570 CA LEU A 35 2.569 -1.636 6.328 1.00 53.13 C ATOM 571 C LEU A 35 2.074 -3.051 6.675 1.00 63.43 C ATOM 572 O LEU A 35 1.350 -3.670 5.898 1.00 73.23 O ATOM 573 CB LEU A 35 3.817 -1.722 5.439 1.00 62.22 C ATOM 574 CG LEU A 35 4.393 -0.375 4.968 1.00 25.11 C ATOM 575 CD1 LEU A 35 5.672 -0.589 4.159 1.00 53.53 C ATOM 576 CD2 LEU A 35 3.358 0.401 4.153 1.00 24.14 C ATOM 0 H LEU A 35 3.856 -0.713 7.710 1.00 34.03 H new ATOM 0 HA LEU A 35 1.773 -1.124 5.787 1.00 53.13 H new ATOM 0 HB2 LEU A 35 4.594 -2.258 5.985 1.00 62.22 H new ATOM 0 HB3 LEU A 35 3.575 -2.320 4.561 1.00 62.22 H new ATOM 0 HG LEU A 35 4.643 0.216 5.849 1.00 25.11 H new ATOM 0 HD11 LEU A 35 6.063 0.375 3.835 1.00 53.53 H new ATOM 0 HD12 LEU A 35 6.414 -1.093 4.778 1.00 53.53 H new ATOM 0 HD13 LEU A 35 5.452 -1.203 3.286 1.00 53.53 H new ATOM 0 HD21 LEU A 35 3.786 1.350 3.830 1.00 24.14 H new ATOM 0 HD22 LEU A 35 3.071 -0.183 3.279 1.00 24.14 H new ATOM 0 HD23 LEU A 35 2.478 0.591 4.768 1.00 24.14 H new ATOM 588 N ARG A 36 2.472 -3.562 7.839 1.00 74.31 N ATOM 589 CA ARG A 36 2.039 -4.895 8.280 1.00 10.42 C ATOM 590 C ARG A 36 0.515 -4.946 8.475 1.00 23.33 C ATOM 591 O ARG A 36 -0.139 -5.917 8.096 1.00 25.42 O ATOM 592 CB ARG A 36 2.770 -5.296 9.569 1.00 21.23 C ATOM 593 CG ARG A 36 2.406 -6.688 10.079 1.00 32.25 C ATOM 594 CD ARG A 36 3.361 -7.164 11.170 1.00 20.03 C ATOM 595 NE ARG A 36 2.930 -8.436 11.747 1.00 22.52 N ATOM 596 CZ ARG A 36 3.629 -9.539 11.732 1.00 44.51 C ATOM 597 NH1 ARG A 36 4.799 -9.578 11.182 1.00 14.44 N ATOM 598 NH2 ARG A 36 3.138 -10.607 12.267 1.00 54.15 N ATOM 0 H ARG A 36 3.089 -3.080 8.493 1.00 74.31 H new ATOM 0 HA ARG A 36 2.297 -5.612 7.500 1.00 10.42 H new ATOM 0 HB2 ARG A 36 3.845 -5.254 9.394 1.00 21.23 H new ATOM 0 HB3 ARG A 36 2.545 -4.565 10.345 1.00 21.23 H new ATOM 0 HG2 ARG A 36 1.388 -6.677 10.468 1.00 32.25 H new ATOM 0 HG3 ARG A 36 2.423 -7.394 9.249 1.00 32.25 H new ATOM 0 HD2 ARG A 36 4.363 -7.273 10.755 1.00 20.03 H new ATOM 0 HD3 ARG A 36 3.422 -6.410 11.955 1.00 20.03 H new ATOM 0 HE ARG A 36 2.014 -8.464 12.195 1.00 22.52 H new ATOM 0 HH11 ARG A 36 5.188 -8.739 10.752 1.00 14.44 H new ATOM 0 HH12 ARG A 36 5.332 -10.447 11.179 1.00 14.44 H new ATOM 0 HH21 ARG A 36 2.213 -10.584 12.696 1.00 54.15 H new ATOM 0 HH22 ARG A 36 3.675 -11.474 12.261 1.00 54.15 H new ATOM 612 N LYS A 37 -0.042 -3.882 9.057 1.00 32.15 N ATOM 613 CA LYS A 37 -1.501 -3.705 9.140 1.00 75.35 C ATOM 614 C LYS A 37 -2.141 -3.901 7.757 1.00 34.32 C ATOM 615 O LYS A 37 -3.181 -4.547 7.618 1.00 55.54 O ATOM 616 CB LYS A 37 -1.806 -2.297 9.704 1.00 52.14 C ATOM 617 CG LYS A 37 -3.284 -1.878 9.748 1.00 64.51 C ATOM 618 CD LYS A 37 -3.794 -1.389 8.388 1.00 63.13 C ATOM 619 CE LYS A 37 -4.995 -0.456 8.514 1.00 74.52 C ATOM 620 NZ LYS A 37 -6.111 -1.063 9.282 1.00 20.34 N ATOM 0 H LYS A 37 0.494 -3.125 9.481 1.00 32.15 H new ATOM 0 HA LYS A 37 -1.927 -4.453 9.809 1.00 75.35 H new ATOM 0 HB2 LYS A 37 -1.406 -2.242 10.716 1.00 52.14 H new ATOM 0 HB3 LYS A 37 -1.262 -1.566 9.106 1.00 52.14 H new ATOM 0 HG2 LYS A 37 -3.889 -2.723 10.077 1.00 64.51 H new ATOM 0 HG3 LYS A 37 -3.413 -1.087 10.487 1.00 64.51 H new ATOM 0 HD2 LYS A 37 -2.989 -0.871 7.867 1.00 63.13 H new ATOM 0 HD3 LYS A 37 -4.069 -2.248 7.776 1.00 63.13 H new ATOM 0 HE2 LYS A 37 -4.683 0.468 9.002 1.00 74.52 H new ATOM 0 HE3 LYS A 37 -5.348 -0.187 7.518 1.00 74.52 H new ATOM 0 HZ1 LYS A 37 -7.015 -0.829 8.824 1.00 20.34 H new ATOM 0 HZ2 LYS A 37 -5.993 -2.096 9.308 1.00 20.34 H new ATOM 0 HZ3 LYS A 37 -6.108 -0.689 10.253 1.00 20.34 H new ATOM 634 N ILE A 38 -1.495 -3.341 6.737 1.00 4.41 N ATOM 635 CA ILE A 38 -1.965 -3.451 5.353 1.00 42.53 C ATOM 636 C ILE A 38 -1.877 -4.904 4.851 1.00 31.42 C ATOM 637 O ILE A 38 -2.833 -5.439 4.282 1.00 21.12 O ATOM 638 CB ILE A 38 -1.138 -2.523 4.421 1.00 50.43 C ATOM 639 CG1 ILE A 38 -1.120 -1.085 4.976 1.00 54.11 C ATOM 640 CG2 ILE A 38 -1.685 -2.548 2.995 1.00 32.50 C ATOM 641 CD1 ILE A 38 -2.495 -0.472 5.155 1.00 42.44 C ATOM 0 H ILE A 38 -0.636 -2.801 6.842 1.00 4.41 H new ATOM 0 HA ILE A 38 -3.009 -3.140 5.332 1.00 42.53 H new ATOM 0 HB ILE A 38 -0.114 -2.895 4.390 1.00 50.43 H new ATOM 0 HG12 ILE A 38 -0.606 -1.085 5.937 1.00 54.11 H new ATOM 0 HG13 ILE A 38 -0.538 -0.455 4.303 1.00 54.11 H new ATOM 0 HG21 ILE A 38 -1.087 -1.890 2.364 1.00 32.50 H new ATOM 0 HG22 ILE A 38 -1.638 -3.565 2.605 1.00 32.50 H new ATOM 0 HG23 ILE A 38 -2.720 -2.207 2.996 1.00 32.50 H new ATOM 0 HD11 ILE A 38 -2.394 0.539 5.549 1.00 42.44 H new ATOM 0 HD12 ILE A 38 -3.006 -0.437 4.193 1.00 42.44 H new ATOM 0 HD13 ILE A 38 -3.075 -1.077 5.852 1.00 42.44 H new ATOM 653 N ALA A 39 -0.733 -5.542 5.093 1.00 61.25 N ATOM 654 CA ALA A 39 -0.510 -6.936 4.692 1.00 2.52 C ATOM 655 C ALA A 39 -1.537 -7.891 5.328 1.00 74.02 C ATOM 656 O ALA A 39 -1.926 -8.896 4.724 1.00 32.33 O ATOM 657 CB ALA A 39 0.909 -7.364 5.053 1.00 35.11 C ATOM 0 H ALA A 39 0.061 -5.114 5.569 1.00 61.25 H new ATOM 0 HA ALA A 39 -0.640 -6.994 3.611 1.00 2.52 H new ATOM 0 HB1 ALA A 39 1.064 -8.400 4.751 1.00 35.11 H new ATOM 0 HB2 ALA A 39 1.625 -6.724 4.536 1.00 35.11 H new ATOM 0 HB3 ALA A 39 1.053 -7.274 6.130 1.00 35.11 H new ATOM 663 N GLU A 40 -1.974 -7.576 6.546 1.00 62.01 N ATOM 664 CA GLU A 40 -2.979 -8.387 7.243 1.00 11.21 C ATOM 665 C GLU A 40 -4.380 -8.239 6.613 1.00 12.34 C ATOM 666 O GLU A 40 -5.194 -9.167 6.663 1.00 23.22 O ATOM 667 CB GLU A 40 -3.024 -8.018 8.737 1.00 41.41 C ATOM 668 CG GLU A 40 -1.736 -8.347 9.491 1.00 54.33 C ATOM 669 CD GLU A 40 -1.871 -8.202 11.001 1.00 31.51 C ATOM 670 OE1 GLU A 40 -2.714 -8.908 11.594 1.00 41.34 O ATOM 671 OE2 GLU A 40 -1.125 -7.399 11.607 1.00 62.33 O ATOM 0 H GLU A 40 -1.650 -6.765 7.073 1.00 62.01 H new ATOM 0 HA GLU A 40 -2.683 -9.431 7.140 1.00 11.21 H new ATOM 0 HB2 GLU A 40 -3.228 -6.952 8.833 1.00 41.41 H new ATOM 0 HB3 GLU A 40 -3.854 -8.545 9.207 1.00 41.41 H new ATOM 0 HG2 GLU A 40 -1.436 -9.368 9.256 1.00 54.33 H new ATOM 0 HG3 GLU A 40 -0.939 -7.692 9.139 1.00 54.33 H new ATOM 678 N LEU A 41 -4.650 -7.083 6.006 1.00 31.44 N ATOM 679 CA LEU A 41 -5.965 -6.808 5.400 1.00 62.34 C ATOM 680 C LEU A 41 -6.135 -7.479 4.026 1.00 42.22 C ATOM 681 O LEU A 41 -7.257 -7.608 3.527 1.00 64.12 O ATOM 682 CB LEU A 41 -6.183 -5.295 5.262 1.00 65.01 C ATOM 683 CG LEU A 41 -6.286 -4.518 6.582 1.00 11.22 C ATOM 684 CD1 LEU A 41 -6.490 -3.028 6.312 1.00 35.14 C ATOM 685 CD2 LEU A 41 -7.418 -5.071 7.445 1.00 31.00 C ATOM 0 H LEU A 41 -3.980 -6.319 5.918 1.00 31.44 H new ATOM 0 HA LEU A 41 -6.713 -7.233 6.069 1.00 62.34 H new ATOM 0 HB2 LEU A 41 -5.361 -4.879 4.679 1.00 65.01 H new ATOM 0 HB3 LEU A 41 -7.096 -5.128 4.690 1.00 65.01 H new ATOM 0 HG LEU A 41 -5.351 -4.642 7.128 1.00 11.22 H new ATOM 0 HD11 LEU A 41 -6.561 -2.493 7.259 1.00 35.14 H new ATOM 0 HD12 LEU A 41 -5.646 -2.643 5.740 1.00 35.14 H new ATOM 0 HD13 LEU A 41 -7.409 -2.884 5.744 1.00 35.14 H new ATOM 0 HD21 LEU A 41 -7.475 -4.507 8.376 1.00 31.00 H new ATOM 0 HD22 LEU A 41 -8.362 -4.981 6.908 1.00 31.00 H new ATOM 0 HD23 LEU A 41 -7.226 -6.121 7.668 1.00 31.00 H new ATOM 697 N MET A 42 -5.029 -7.898 3.414 1.00 34.23 N ATOM 698 CA MET A 42 -5.072 -8.542 2.091 1.00 53.11 C ATOM 699 C MET A 42 -4.617 -10.020 2.152 1.00 72.32 C ATOM 700 O MET A 42 -3.444 -10.333 1.948 1.00 34.24 O ATOM 701 CB MET A 42 -4.217 -7.740 1.093 1.00 30.30 C ATOM 702 CG MET A 42 -2.792 -7.467 1.567 1.00 35.23 C ATOM 703 SD MET A 42 -1.887 -6.350 0.476 1.00 42.53 S ATOM 704 CE MET A 42 -1.961 -7.238 -1.078 1.00 11.53 C ATOM 0 H MET A 42 -4.092 -7.806 3.807 1.00 34.23 H new ATOM 0 HA MET A 42 -6.107 -8.546 1.749 1.00 53.11 H new ATOM 0 HB2 MET A 42 -4.176 -8.283 0.149 1.00 30.30 H new ATOM 0 HB3 MET A 42 -4.710 -6.789 0.892 1.00 30.30 H new ATOM 0 HG2 MET A 42 -2.824 -7.040 2.569 1.00 35.23 H new ATOM 0 HG3 MET A 42 -2.252 -8.411 1.640 1.00 35.23 H new ATOM 0 HE1 MET A 42 -1.397 -6.694 -1.835 1.00 11.53 H new ATOM 0 HE2 MET A 42 -1.532 -8.232 -0.950 1.00 11.53 H new ATOM 0 HE3 MET A 42 -3.000 -7.330 -1.396 1.00 11.53 H new ATOM 714 N PRO A 43 -5.548 -10.951 2.452 1.00 54.22 N ATOM 715 CA PRO A 43 -5.244 -12.385 2.540 1.00 44.21 C ATOM 716 C PRO A 43 -5.359 -13.119 1.187 1.00 61.21 C ATOM 717 O PRO A 43 -6.381 -13.036 0.502 1.00 33.41 O ATOM 718 CB PRO A 43 -6.310 -12.880 3.521 1.00 52.23 C ATOM 719 CG PRO A 43 -7.499 -12.005 3.267 1.00 54.22 C ATOM 720 CD PRO A 43 -6.971 -10.681 2.750 1.00 25.13 C ATOM 0 HA PRO A 43 -4.216 -12.572 2.851 1.00 44.21 H new ATOM 0 HB2 PRO A 43 -6.548 -13.930 3.350 1.00 52.23 H new ATOM 0 HB3 PRO A 43 -5.969 -12.794 4.553 1.00 52.23 H new ATOM 0 HG2 PRO A 43 -8.168 -12.464 2.539 1.00 54.22 H new ATOM 0 HG3 PRO A 43 -8.074 -11.860 4.182 1.00 54.22 H new ATOM 0 HD2 PRO A 43 -7.510 -10.357 1.860 1.00 25.13 H new ATOM 0 HD3 PRO A 43 -7.080 -9.891 3.493 1.00 25.13 H new ATOM 728 N GLY A 44 -4.300 -13.838 0.806 1.00 24.14 N ATOM 729 CA GLY A 44 -4.312 -14.607 -0.442 1.00 3.30 C ATOM 730 C GLY A 44 -3.835 -13.809 -1.656 1.00 50.42 C ATOM 731 O GLY A 44 -3.490 -14.389 -2.692 1.00 60.24 O ATOM 0 H GLY A 44 -3.432 -13.904 1.337 1.00 24.14 H new ATOM 0 HA2 GLY A 44 -3.679 -15.486 -0.324 1.00 3.30 H new ATOM 0 HA3 GLY A 44 -5.324 -14.966 -0.628 1.00 3.30 H new ATOM 735 N ALA A 45 -3.817 -12.485 -1.529 1.00 14.42 N ATOM 736 CA ALA A 45 -3.375 -11.598 -2.612 1.00 21.13 C ATOM 737 C ALA A 45 -1.894 -11.823 -2.963 1.00 2.44 C ATOM 738 O ALA A 45 -1.037 -11.882 -2.080 1.00 43.53 O ATOM 739 CB ALA A 45 -3.616 -10.144 -2.222 1.00 4.12 C ATOM 0 H ALA A 45 -4.105 -11.996 -0.682 1.00 14.42 H new ATOM 0 HA ALA A 45 -3.960 -11.834 -3.501 1.00 21.13 H new ATOM 0 HB1 ALA A 45 -3.286 -9.491 -3.030 1.00 4.12 H new ATOM 0 HB2 ALA A 45 -4.679 -9.987 -2.040 1.00 4.12 H new ATOM 0 HB3 ALA A 45 -3.055 -9.912 -1.316 1.00 4.12 H new ATOM 745 N SER A 46 -1.599 -11.939 -4.257 1.00 23.10 N ATOM 746 CA SER A 46 -0.238 -12.247 -4.728 1.00 24.44 C ATOM 747 C SER A 46 0.540 -10.984 -5.125 1.00 1.50 C ATOM 748 O SER A 46 0.050 -9.865 -4.975 1.00 52.42 O ATOM 749 CB SER A 46 -0.308 -13.217 -5.915 1.00 72.53 C ATOM 750 OG SER A 46 -0.952 -14.428 -5.547 1.00 73.30 O ATOM 0 H SER A 46 -2.283 -11.825 -5.005 1.00 23.10 H new ATOM 0 HA SER A 46 0.300 -12.711 -3.901 1.00 24.44 H new ATOM 0 HB2 SER A 46 -0.848 -12.750 -6.739 1.00 72.53 H new ATOM 0 HB3 SER A 46 0.699 -13.431 -6.274 1.00 72.53 H new ATOM 0 HG SER A 46 -0.986 -15.029 -6.321 1.00 73.30 H new ATOM 756 N GLY A 47 1.751 -11.181 -5.660 1.00 45.33 N ATOM 757 CA GLY A 47 2.648 -10.065 -5.974 1.00 33.35 C ATOM 758 C GLY A 47 2.020 -8.986 -6.855 1.00 23.04 C ATOM 759 O GLY A 47 2.247 -7.794 -6.642 1.00 3.42 O ATOM 0 H GLY A 47 2.131 -12.101 -5.884 1.00 45.33 H new ATOM 0 HA2 GLY A 47 2.982 -9.609 -5.042 1.00 33.35 H new ATOM 0 HA3 GLY A 47 3.535 -10.456 -6.473 1.00 33.35 H new ATOM 763 N ALA A 48 1.232 -9.397 -7.848 1.00 2.23 N ATOM 764 CA ALA A 48 0.547 -8.443 -8.730 1.00 33.35 C ATOM 765 C ALA A 48 -0.438 -7.559 -7.945 1.00 21.22 C ATOM 766 O ALA A 48 -0.498 -6.346 -8.147 1.00 64.11 O ATOM 767 CB ALA A 48 -0.174 -9.179 -9.854 1.00 51.32 C ATOM 0 H ALA A 48 1.051 -10.377 -8.064 1.00 2.23 H new ATOM 0 HA ALA A 48 1.303 -7.791 -9.167 1.00 33.35 H new ATOM 0 HB1 ALA A 48 -0.676 -8.457 -10.498 1.00 51.32 H new ATOM 0 HB2 ALA A 48 0.549 -9.747 -10.440 1.00 51.32 H new ATOM 0 HB3 ALA A 48 -0.911 -9.860 -9.429 1.00 51.32 H new ATOM 773 N GLU A 49 -1.198 -8.173 -7.038 1.00 53.54 N ATOM 774 CA GLU A 49 -2.132 -7.433 -6.180 1.00 15.01 C ATOM 775 C GLU A 49 -1.378 -6.486 -5.234 1.00 24.10 C ATOM 776 O GLU A 49 -1.822 -5.369 -4.974 1.00 12.33 O ATOM 777 CB GLU A 49 -3.017 -8.394 -5.364 1.00 0.33 C ATOM 778 CG GLU A 49 -4.021 -9.200 -6.193 1.00 42.22 C ATOM 779 CD GLU A 49 -3.364 -10.194 -7.139 1.00 72.54 C ATOM 780 OE1 GLU A 49 -3.042 -11.317 -6.702 1.00 30.50 O ATOM 781 OE2 GLU A 49 -3.161 -9.853 -8.323 1.00 31.14 O ATOM 0 H GLU A 49 -1.187 -9.180 -6.876 1.00 53.54 H new ATOM 0 HA GLU A 49 -2.773 -6.839 -6.832 1.00 15.01 H new ATOM 0 HB2 GLU A 49 -2.373 -9.088 -4.823 1.00 0.33 H new ATOM 0 HB3 GLU A 49 -3.563 -7.818 -4.617 1.00 0.33 H new ATOM 0 HG2 GLU A 49 -4.688 -9.738 -5.519 1.00 42.22 H new ATOM 0 HG3 GLU A 49 -4.638 -8.512 -6.772 1.00 42.22 H new ATOM 788 N VAL A 50 -0.231 -6.940 -4.728 1.00 41.02 N ATOM 789 CA VAL A 50 0.620 -6.110 -3.865 1.00 3.55 C ATOM 790 C VAL A 50 1.129 -4.871 -4.622 1.00 13.23 C ATOM 791 O VAL A 50 1.112 -3.753 -4.098 1.00 43.31 O ATOM 792 CB VAL A 50 1.829 -6.913 -3.320 1.00 42.14 C ATOM 793 CG1 VAL A 50 2.680 -6.053 -2.388 1.00 2.03 C ATOM 794 CG2 VAL A 50 1.360 -8.182 -2.608 1.00 41.11 C ATOM 0 H VAL A 50 0.133 -7.877 -4.899 1.00 41.02 H new ATOM 0 HA VAL A 50 0.006 -5.789 -3.024 1.00 3.55 H new ATOM 0 HB VAL A 50 2.448 -7.207 -4.168 1.00 42.14 H new ATOM 0 HG11 VAL A 50 3.522 -6.639 -2.019 1.00 2.03 H new ATOM 0 HG12 VAL A 50 3.053 -5.186 -2.933 1.00 2.03 H new ATOM 0 HG13 VAL A 50 2.074 -5.719 -1.546 1.00 2.03 H new ATOM 0 HG21 VAL A 50 2.225 -8.730 -2.234 1.00 41.11 H new ATOM 0 HG22 VAL A 50 0.712 -7.913 -1.774 1.00 41.11 H new ATOM 0 HG23 VAL A 50 0.808 -8.809 -3.308 1.00 41.11 H new ATOM 804 N LYS A 51 1.587 -5.078 -5.858 1.00 65.02 N ATOM 805 CA LYS A 51 1.962 -3.964 -6.737 1.00 12.10 C ATOM 806 C LYS A 51 0.756 -3.043 -6.972 1.00 23.14 C ATOM 807 O LYS A 51 0.882 -1.815 -6.988 1.00 4.22 O ATOM 808 CB LYS A 51 2.480 -4.490 -8.084 1.00 0.22 C ATOM 809 CG LYS A 51 2.939 -3.386 -9.039 1.00 22.33 C ATOM 810 CD LYS A 51 3.149 -3.905 -10.460 1.00 71.42 C ATOM 811 CE LYS A 51 4.198 -5.011 -10.526 1.00 12.14 C ATOM 812 NZ LYS A 51 4.313 -5.573 -11.896 1.00 11.24 N ATOM 0 H LYS A 51 1.708 -6.002 -6.273 1.00 65.02 H new ATOM 0 HA LYS A 51 2.756 -3.398 -6.250 1.00 12.10 H new ATOM 0 HB2 LYS A 51 3.312 -5.171 -7.903 1.00 0.22 H new ATOM 0 HB3 LYS A 51 1.692 -5.070 -8.565 1.00 0.22 H new ATOM 0 HG2 LYS A 51 2.198 -2.587 -9.051 1.00 22.33 H new ATOM 0 HG3 LYS A 51 3.869 -2.953 -8.671 1.00 22.33 H new ATOM 0 HD2 LYS A 51 2.203 -4.281 -10.850 1.00 71.42 H new ATOM 0 HD3 LYS A 51 3.454 -3.080 -11.104 1.00 71.42 H new ATOM 0 HE2 LYS A 51 5.164 -4.616 -10.212 1.00 12.14 H new ATOM 0 HE3 LYS A 51 3.935 -5.805 -9.827 1.00 12.14 H new ATOM 0 HZ1 LYS A 51 5.035 -6.322 -11.905 1.00 11.24 H new ATOM 0 HZ2 LYS A 51 3.397 -5.971 -12.186 1.00 11.24 H new ATOM 0 HZ3 LYS A 51 4.588 -4.820 -12.558 1.00 11.24 H new ATOM 826 N GLY A 52 -0.412 -3.657 -7.153 1.00 62.10 N ATOM 827 CA GLY A 52 -1.648 -2.904 -7.307 1.00 70.23 C ATOM 828 C GLY A 52 -1.930 -1.990 -6.120 1.00 14.11 C ATOM 829 O GLY A 52 -2.130 -0.794 -6.295 1.00 64.52 O ATOM 0 H GLY A 52 -0.525 -4.670 -7.196 1.00 62.10 H new ATOM 0 HA2 GLY A 52 -1.594 -2.306 -8.216 1.00 70.23 H new ATOM 0 HA3 GLY A 52 -2.479 -3.598 -7.431 1.00 70.23 H new ATOM 833 N VAL A 53 -1.925 -2.552 -4.910 1.00 14.02 N ATOM 834 CA VAL A 53 -2.133 -1.770 -3.682 1.00 4.41 C ATOM 835 C VAL A 53 -1.139 -0.603 -3.590 1.00 34.31 C ATOM 836 O VAL A 53 -1.524 0.537 -3.325 1.00 40.54 O ATOM 837 CB VAL A 53 -1.995 -2.664 -2.419 1.00 33.52 C ATOM 838 CG1 VAL A 53 -2.105 -1.833 -1.139 1.00 23.32 C ATOM 839 CG2 VAL A 53 -3.043 -3.777 -2.430 1.00 42.43 C ATOM 0 H VAL A 53 -1.779 -3.549 -4.750 1.00 14.02 H new ATOM 0 HA VAL A 53 -3.146 -1.369 -3.726 1.00 4.41 H new ATOM 0 HB VAL A 53 -1.005 -3.121 -2.438 1.00 33.52 H new ATOM 0 HG11 VAL A 53 -2.005 -2.486 -0.272 1.00 23.32 H new ATOM 0 HG12 VAL A 53 -1.314 -1.084 -1.123 1.00 23.32 H new ATOM 0 HG13 VAL A 53 -3.075 -1.337 -1.109 1.00 23.32 H new ATOM 0 HG21 VAL A 53 -2.930 -4.392 -1.537 1.00 42.43 H new ATOM 0 HG22 VAL A 53 -4.040 -3.338 -2.444 1.00 42.43 H new ATOM 0 HG23 VAL A 53 -2.907 -4.396 -3.317 1.00 42.43 H new ATOM 849 N CYS A 54 0.138 -0.895 -3.829 1.00 43.40 N ATOM 850 CA CYS A 54 1.188 0.132 -3.816 1.00 51.15 C ATOM 851 C CYS A 54 0.910 1.259 -4.824 1.00 52.02 C ATOM 852 O CYS A 54 1.110 2.436 -4.527 1.00 31.22 O ATOM 853 CB CYS A 54 2.550 -0.498 -4.122 1.00 24.11 C ATOM 854 SG CYS A 54 3.886 0.700 -4.345 1.00 24.24 S ATOM 0 H CYS A 54 0.475 -1.835 -4.035 1.00 43.40 H new ATOM 0 HA CYS A 54 1.195 0.568 -2.817 1.00 51.15 H new ATOM 0 HB2 CYS A 54 2.816 -1.175 -3.310 1.00 24.11 H new ATOM 0 HB3 CYS A 54 2.464 -1.102 -5.025 1.00 24.11 H new ATOM 0 HG CYS A 54 4.389 0.572 -5.537 1.00 24.24 H new ATOM 860 N THR A 55 0.456 0.887 -6.018 1.00 43.42 N ATOM 861 CA THR A 55 0.174 1.864 -7.077 1.00 23.14 C ATOM 862 C THR A 55 -1.104 2.668 -6.783 1.00 4.22 C ATOM 863 O THR A 55 -1.122 3.895 -6.910 1.00 31.42 O ATOM 864 CB THR A 55 0.028 1.169 -8.455 1.00 40.21 C ATOM 865 OG1 THR A 55 1.184 0.353 -8.726 1.00 25.13 O ATOM 866 CG2 THR A 55 -0.145 2.194 -9.572 1.00 62.42 C ATOM 0 H THR A 55 0.274 -0.082 -6.281 1.00 43.42 H new ATOM 0 HA THR A 55 1.022 2.548 -7.104 1.00 23.14 H new ATOM 0 HB THR A 55 -0.862 0.540 -8.420 1.00 40.21 H new ATOM 0 HG1 THR A 55 1.165 -0.442 -8.153 1.00 25.13 H new ATOM 0 HG21 THR A 55 -0.245 1.678 -10.527 1.00 62.42 H new ATOM 0 HG22 THR A 55 -1.039 2.788 -9.385 1.00 62.42 H new ATOM 0 HG23 THR A 55 0.726 2.849 -9.603 1.00 62.42 H new ATOM 874 N GLU A 56 -2.166 1.970 -6.381 1.00 51.24 N ATOM 875 CA GLU A 56 -3.443 2.615 -6.056 1.00 63.52 C ATOM 876 C GLU A 56 -3.291 3.582 -4.874 1.00 71.01 C ATOM 877 O GLU A 56 -3.921 4.639 -4.843 1.00 44.23 O ATOM 878 CB GLU A 56 -4.526 1.564 -5.751 1.00 0.12 C ATOM 879 CG GLU A 56 -4.796 0.592 -6.900 1.00 23.20 C ATOM 880 CD GLU A 56 -5.320 1.273 -8.160 1.00 15.34 C ATOM 881 OE1 GLU A 56 -4.500 1.743 -8.978 1.00 21.00 O ATOM 882 OE2 GLU A 56 -6.555 1.327 -8.347 1.00 71.12 O ATOM 0 H GLU A 56 -2.169 0.956 -6.272 1.00 51.24 H new ATOM 0 HA GLU A 56 -3.754 3.190 -6.928 1.00 63.52 H new ATOM 0 HB2 GLU A 56 -4.227 0.995 -4.871 1.00 0.12 H new ATOM 0 HB3 GLU A 56 -5.454 2.077 -5.498 1.00 0.12 H new ATOM 0 HG2 GLU A 56 -3.875 0.060 -7.140 1.00 23.20 H new ATOM 0 HG3 GLU A 56 -5.519 -0.155 -6.572 1.00 23.20 H new ATOM 889 N ALA A 57 -2.441 3.220 -3.910 1.00 64.43 N ATOM 890 CA ALA A 57 -2.128 4.104 -2.778 1.00 61.31 C ATOM 891 C ALA A 57 -1.663 5.484 -3.267 1.00 41.31 C ATOM 892 O ALA A 57 -2.139 6.519 -2.800 1.00 0.10 O ATOM 893 CB ALA A 57 -1.067 3.463 -1.889 1.00 54.53 C ATOM 0 H ALA A 57 -1.956 2.323 -3.888 1.00 64.43 H new ATOM 0 HA ALA A 57 -3.037 4.247 -2.193 1.00 61.31 H new ATOM 0 HB1 ALA A 57 -0.843 4.127 -1.054 1.00 54.53 H new ATOM 0 HB2 ALA A 57 -1.438 2.512 -1.507 1.00 54.53 H new ATOM 0 HB3 ALA A 57 -0.161 3.292 -2.470 1.00 54.53 H new ATOM 899 N GLY A 58 -0.748 5.487 -4.233 1.00 63.31 N ATOM 900 CA GLY A 58 -0.298 6.735 -4.836 1.00 45.15 C ATOM 901 C GLY A 58 -1.425 7.477 -5.560 1.00 23.34 C ATOM 902 O GLY A 58 -1.447 8.708 -5.600 1.00 72.22 O ATOM 0 H GLY A 58 -0.308 4.648 -4.611 1.00 63.31 H new ATOM 0 HA2 GLY A 58 0.118 7.380 -4.062 1.00 45.15 H new ATOM 0 HA3 GLY A 58 0.506 6.525 -5.541 1.00 45.15 H new ATOM 906 N MET A 59 -2.373 6.724 -6.123 1.00 34.44 N ATOM 907 CA MET A 59 -3.549 7.317 -6.778 1.00 0.22 C ATOM 908 C MET A 59 -4.405 8.090 -5.759 1.00 33.53 C ATOM 909 O MET A 59 -4.934 9.166 -6.062 1.00 53.35 O ATOM 910 CB MET A 59 -4.399 6.230 -7.461 1.00 22.43 C ATOM 911 CG MET A 59 -3.640 5.355 -8.461 1.00 51.13 C ATOM 912 SD MET A 59 -3.620 6.015 -10.145 1.00 24.41 S ATOM 913 CE MET A 59 -2.571 7.457 -9.975 1.00 42.52 C ATOM 0 H MET A 59 -2.353 5.704 -6.140 1.00 34.44 H new ATOM 0 HA MET A 59 -3.195 8.013 -7.539 1.00 0.22 H new ATOM 0 HB2 MET A 59 -4.829 5.589 -6.692 1.00 22.43 H new ATOM 0 HB3 MET A 59 -5.230 6.710 -7.977 1.00 22.43 H new ATOM 0 HG2 MET A 59 -2.613 5.234 -8.117 1.00 51.13 H new ATOM 0 HG3 MET A 59 -4.090 4.363 -8.476 1.00 51.13 H new ATOM 0 HE1 MET A 59 -2.035 7.629 -10.908 1.00 42.52 H new ATOM 0 HE2 MET A 59 -3.184 8.328 -9.743 1.00 42.52 H new ATOM 0 HE3 MET A 59 -1.854 7.293 -9.170 1.00 42.52 H new ATOM 923 N TYR A 60 -4.532 7.536 -4.549 1.00 33.34 N ATOM 924 CA TYR A 60 -5.241 8.209 -3.453 1.00 73.01 C ATOM 925 C TYR A 60 -4.488 9.468 -3.002 1.00 61.44 C ATOM 926 O TYR A 60 -5.094 10.520 -2.772 1.00 42.00 O ATOM 927 CB TYR A 60 -5.448 7.259 -2.265 1.00 1.35 C ATOM 928 CG TYR A 60 -6.474 6.172 -2.520 1.00 31.41 C ATOM 929 CD1 TYR A 60 -7.835 6.449 -2.457 1.00 54.55 C ATOM 930 CD2 TYR A 60 -6.085 4.873 -2.824 1.00 51.22 C ATOM 931 CE1 TYR A 60 -8.776 5.464 -2.684 1.00 14.20 C ATOM 932 CE2 TYR A 60 -7.019 3.882 -3.051 1.00 45.13 C ATOM 933 CZ TYR A 60 -8.363 4.182 -2.983 1.00 22.24 C ATOM 934 OH TYR A 60 -9.298 3.196 -3.203 1.00 64.01 O ATOM 0 H TYR A 60 -4.153 6.622 -4.302 1.00 33.34 H new ATOM 0 HA TYR A 60 -6.220 8.509 -3.828 1.00 73.01 H new ATOM 0 HB2 TYR A 60 -4.495 6.794 -2.014 1.00 1.35 H new ATOM 0 HB3 TYR A 60 -5.757 7.841 -1.397 1.00 1.35 H new ATOM 0 HD1 TYR A 60 -8.162 7.452 -2.226 1.00 54.55 H new ATOM 0 HD2 TYR A 60 -5.033 4.634 -2.884 1.00 51.22 H new ATOM 0 HE1 TYR A 60 -9.829 5.696 -2.628 1.00 14.20 H new ATOM 0 HE2 TYR A 60 -6.698 2.877 -3.281 1.00 45.13 H new ATOM 0 HH TYR A 60 -9.191 2.488 -2.534 1.00 64.01 H new ATOM 944 N ALA A 61 -3.166 9.359 -2.886 1.00 61.10 N ATOM 945 CA ALA A 61 -2.320 10.507 -2.545 1.00 24.42 C ATOM 946 C ALA A 61 -2.548 11.682 -3.508 1.00 44.31 C ATOM 947 O ALA A 61 -2.589 12.839 -3.091 1.00 60.22 O ATOM 948 CB ALA A 61 -0.850 10.099 -2.538 1.00 34.11 C ATOM 0 H ALA A 61 -2.654 8.487 -3.023 1.00 61.10 H new ATOM 0 HA ALA A 61 -2.598 10.841 -1.545 1.00 24.42 H new ATOM 0 HB1 ALA A 61 -0.234 10.962 -2.283 1.00 34.11 H new ATOM 0 HB2 ALA A 61 -0.694 9.312 -1.801 1.00 34.11 H new ATOM 0 HB3 ALA A 61 -0.570 9.732 -3.525 1.00 34.11 H new ATOM 954 N LEU A 62 -2.709 11.379 -4.797 1.00 71.13 N ATOM 955 CA LEU A 62 -2.958 12.411 -5.811 1.00 50.24 C ATOM 956 C LEU A 62 -4.347 13.060 -5.648 1.00 61.41 C ATOM 957 O LEU A 62 -4.464 14.284 -5.637 1.00 71.55 O ATOM 958 CB LEU A 62 -2.815 11.823 -7.222 1.00 1.43 C ATOM 959 CG LEU A 62 -1.406 11.326 -7.588 1.00 71.11 C ATOM 960 CD1 LEU A 62 -1.385 10.756 -9.004 1.00 43.14 C ATOM 961 CD2 LEU A 62 -0.379 12.448 -7.445 1.00 63.40 C ATOM 0 H LEU A 62 -2.672 10.429 -5.166 1.00 71.13 H new ATOM 0 HA LEU A 62 -2.210 13.191 -5.667 1.00 50.24 H new ATOM 0 HB2 LEU A 62 -3.513 10.992 -7.324 1.00 1.43 H new ATOM 0 HB3 LEU A 62 -3.114 12.581 -7.946 1.00 1.43 H new ATOM 0 HG LEU A 62 -1.138 10.529 -6.894 1.00 71.11 H new ATOM 0 HD11 LEU A 62 -0.379 10.410 -9.242 1.00 43.14 H new ATOM 0 HD12 LEU A 62 -2.081 9.920 -9.070 1.00 43.14 H new ATOM 0 HD13 LEU A 62 -1.680 11.530 -9.712 1.00 43.14 H new ATOM 0 HD21 LEU A 62 0.610 12.072 -7.709 1.00 63.40 H new ATOM 0 HD22 LEU A 62 -0.644 13.271 -8.109 1.00 63.40 H new ATOM 0 HD23 LEU A 62 -0.369 12.803 -6.414 1.00 63.40 H new ATOM 973 N ARG A 63 -5.398 12.242 -5.516 1.00 74.45 N ATOM 974 CA ARG A 63 -6.770 12.773 -5.403 1.00 54.33 C ATOM 975 C ARG A 63 -6.967 13.608 -4.129 1.00 71.11 C ATOM 976 O ARG A 63 -7.760 14.549 -4.117 1.00 4.52 O ATOM 977 CB ARG A 63 -7.815 11.645 -5.452 1.00 75.32 C ATOM 978 CG ARG A 63 -7.644 10.586 -4.370 1.00 72.02 C ATOM 979 CD ARG A 63 -8.796 9.587 -4.358 1.00 71.02 C ATOM 980 NE ARG A 63 -10.013 10.147 -3.765 1.00 34.43 N ATOM 981 CZ ARG A 63 -11.194 10.104 -4.320 1.00 33.41 C ATOM 982 NH1 ARG A 63 -11.347 9.646 -5.522 1.00 1.04 N ATOM 983 NH2 ARG A 63 -12.220 10.546 -3.672 1.00 55.14 N ATOM 0 H ARG A 63 -5.332 11.225 -5.485 1.00 74.45 H new ATOM 0 HA ARG A 63 -6.916 13.428 -6.262 1.00 54.33 H new ATOM 0 HB2 ARG A 63 -8.809 12.082 -5.362 1.00 75.32 H new ATOM 0 HB3 ARG A 63 -7.766 11.162 -6.428 1.00 75.32 H new ATOM 0 HG2 ARG A 63 -6.706 10.055 -4.529 1.00 72.02 H new ATOM 0 HG3 ARG A 63 -7.575 11.071 -3.396 1.00 72.02 H new ATOM 0 HD2 ARG A 63 -9.006 9.266 -5.378 1.00 71.02 H new ATOM 0 HD3 ARG A 63 -8.498 8.699 -3.800 1.00 71.02 H new ATOM 0 HE ARG A 63 -9.932 10.602 -2.856 1.00 34.43 H new ATOM 0 HH11 ARG A 63 -10.539 9.313 -6.048 1.00 1.04 H new ATOM 0 HH12 ARG A 63 -12.276 9.618 -5.943 1.00 1.04 H new ATOM 0 HH21 ARG A 63 -12.105 10.926 -2.732 1.00 55.14 H new ATOM 0 HH22 ARG A 63 -13.145 10.515 -4.100 1.00 55.14 H new ATOM 997 N GLU A 64 -6.257 13.260 -3.054 1.00 61.24 N ATOM 998 CA GLU A 64 -6.329 14.033 -1.808 1.00 62.04 C ATOM 999 C GLU A 64 -5.140 15.003 -1.674 1.00 25.03 C ATOM 1000 O GLU A 64 -5.025 15.718 -0.679 1.00 34.22 O ATOM 1001 CB GLU A 64 -6.417 13.094 -0.593 1.00 50.33 C ATOM 1002 CG GLU A 64 -7.640 12.174 -0.628 1.00 43.11 C ATOM 1003 CD GLU A 64 -7.972 11.542 0.718 1.00 15.54 C ATOM 1004 OE1 GLU A 64 -8.332 12.292 1.655 1.00 11.43 O ATOM 1005 OE2 GLU A 64 -7.893 10.300 0.849 1.00 42.13 O ATOM 0 H GLU A 64 -5.630 12.456 -3.018 1.00 61.24 H new ATOM 0 HA GLU A 64 -7.237 14.636 -1.842 1.00 62.04 H new ATOM 0 HB2 GLU A 64 -5.514 12.485 -0.546 1.00 50.33 H new ATOM 0 HB3 GLU A 64 -6.446 13.691 0.318 1.00 50.33 H new ATOM 0 HG2 GLU A 64 -8.502 12.744 -0.974 1.00 43.11 H new ATOM 0 HG3 GLU A 64 -7.467 11.383 -1.358 1.00 43.11 H new ATOM 1012 N ARG A 65 -4.275 15.030 -2.697 1.00 2.15 N ATOM 1013 CA ARG A 65 -3.133 15.962 -2.760 1.00 21.11 C ATOM 1014 C ARG A 65 -2.210 15.847 -1.529 1.00 33.31 C ATOM 1015 O ARG A 65 -1.684 16.848 -1.029 1.00 21.44 O ATOM 1016 CB ARG A 65 -3.618 17.417 -2.944 1.00 62.01 C ATOM 1017 CG ARG A 65 -4.246 17.695 -4.314 1.00 23.01 C ATOM 1018 CD ARG A 65 -5.625 17.055 -4.467 1.00 64.54 C ATOM 1019 NE ARG A 65 -6.075 17.036 -5.861 1.00 11.52 N ATOM 1020 CZ ARG A 65 -7.327 17.070 -6.233 1.00 23.30 C ATOM 1021 NH1 ARG A 65 -8.276 17.168 -5.358 1.00 74.44 N ATOM 1022 NH2 ARG A 65 -7.628 17.001 -7.490 1.00 34.54 N ATOM 0 H ARG A 65 -4.344 14.410 -3.504 1.00 2.15 H new ATOM 0 HA ARG A 65 -2.542 15.678 -3.631 1.00 21.11 H new ATOM 0 HB2 ARG A 65 -4.348 17.647 -2.168 1.00 62.01 H new ATOM 0 HB3 ARG A 65 -2.774 18.092 -2.799 1.00 62.01 H new ATOM 0 HG2 ARG A 65 -4.331 18.772 -4.459 1.00 23.01 H new ATOM 0 HG3 ARG A 65 -3.586 17.319 -5.096 1.00 23.01 H new ATOM 0 HD2 ARG A 65 -5.595 16.035 -4.083 1.00 64.54 H new ATOM 0 HD3 ARG A 65 -6.347 17.603 -3.861 1.00 64.54 H new ATOM 0 HE ARG A 65 -5.363 16.993 -6.590 1.00 11.52 H new ATOM 0 HH11 ARG A 65 -8.050 17.220 -4.365 1.00 74.44 H new ATOM 0 HH12 ARG A 65 -9.249 17.194 -5.662 1.00 74.44 H new ATOM 0 HH21 ARG A 65 -6.888 16.920 -8.188 1.00 34.54 H new ATOM 0 HH22 ARG A 65 -8.605 17.027 -7.783 1.00 34.54 H new ATOM 1036 N ARG A 66 -1.994 14.618 -1.074 1.00 41.13 N ATOM 1037 CA ARG A 66 -1.116 14.347 0.066 1.00 51.55 C ATOM 1038 C ARG A 66 0.365 14.509 -0.303 1.00 14.44 C ATOM 1039 O ARG A 66 0.850 13.895 -1.255 1.00 51.33 O ATOM 1040 CB ARG A 66 -1.355 12.925 0.595 1.00 31.43 C ATOM 1041 CG ARG A 66 -2.711 12.732 1.261 1.00 63.23 C ATOM 1042 CD ARG A 66 -2.904 11.301 1.753 1.00 23.11 C ATOM 1043 NE ARG A 66 -4.103 11.171 2.578 1.00 12.32 N ATOM 1044 CZ ARG A 66 -5.132 10.428 2.277 1.00 3.45 C ATOM 1045 NH1 ARG A 66 -5.130 9.681 1.222 1.00 35.44 N ATOM 1046 NH2 ARG A 66 -6.162 10.409 3.055 1.00 42.10 N ATOM 0 H ARG A 66 -2.418 13.784 -1.480 1.00 41.13 H new ATOM 0 HA ARG A 66 -1.357 15.076 0.840 1.00 51.55 H new ATOM 0 HB2 ARG A 66 -1.264 12.221 -0.232 1.00 31.43 H new ATOM 0 HB3 ARG A 66 -0.571 12.678 1.311 1.00 31.43 H new ATOM 0 HG2 ARG A 66 -2.804 13.420 2.101 1.00 63.23 H new ATOM 0 HG3 ARG A 66 -3.502 12.983 0.554 1.00 63.23 H new ATOM 0 HD2 ARG A 66 -2.976 10.629 0.898 1.00 23.11 H new ATOM 0 HD3 ARG A 66 -2.031 10.993 2.328 1.00 23.11 H new ATOM 0 HE ARG A 66 -4.138 11.698 3.450 1.00 12.32 H new ATOM 0 HH11 ARG A 66 -4.315 9.666 0.609 1.00 35.44 H new ATOM 0 HH12 ARG A 66 -5.944 9.106 1.002 1.00 35.44 H new ATOM 0 HH21 ARG A 66 -6.170 10.975 3.904 1.00 42.10 H new ATOM 0 HH22 ARG A 66 -6.967 9.828 2.821 1.00 42.10 H new ATOM 1060 N VAL A 67 1.077 15.343 0.451 1.00 32.04 N ATOM 1061 CA VAL A 67 2.531 15.462 0.299 1.00 75.04 C ATOM 1062 C VAL A 67 3.228 14.199 0.836 1.00 34.12 C ATOM 1063 O VAL A 67 4.265 13.769 0.326 1.00 53.33 O ATOM 1064 CB VAL A 67 3.077 16.712 1.036 1.00 75.32 C ATOM 1065 CG1 VAL A 67 4.588 16.850 0.844 1.00 53.13 C ATOM 1066 CG2 VAL A 67 2.351 17.974 0.567 1.00 65.23 C ATOM 0 H VAL A 67 0.677 15.945 1.171 1.00 32.04 H new ATOM 0 HA VAL A 67 2.745 15.571 -0.764 1.00 75.04 H new ATOM 0 HB VAL A 67 2.888 16.584 2.102 1.00 75.32 H new ATOM 0 HG11 VAL A 67 4.943 17.735 1.372 1.00 53.13 H new ATOM 0 HG12 VAL A 67 5.087 15.966 1.241 1.00 53.13 H new ATOM 0 HG13 VAL A 67 4.812 16.947 -0.218 1.00 53.13 H new ATOM 0 HG21 VAL A 67 2.748 18.840 1.096 1.00 65.23 H new ATOM 0 HG22 VAL A 67 2.501 18.103 -0.505 1.00 65.23 H new ATOM 0 HG23 VAL A 67 1.285 17.879 0.775 1.00 65.23 H new ATOM 1076 N HIS A 68 2.637 13.607 1.871 1.00 64.30 N ATOM 1077 CA HIS A 68 3.128 12.349 2.441 1.00 35.13 C ATOM 1078 C HIS A 68 2.043 11.261 2.365 1.00 14.32 C ATOM 1079 O HIS A 68 0.898 11.493 2.751 1.00 21.15 O ATOM 1080 CB HIS A 68 3.574 12.560 3.900 1.00 12.15 C ATOM 1081 CG HIS A 68 2.481 13.027 4.825 1.00 64.54 C ATOM 1082 ND1 HIS A 68 1.573 12.333 5.555 1.00 75.32 N flip ATOM 1083 CD2 HIS A 68 2.240 14.357 5.098 1.00 0.23 C flip ATOM 1084 CE1 HIS A 68 0.818 13.249 6.245 1.00 24.41 C flip ATOM 1085 NE2 HIS A 68 1.241 14.460 5.951 1.00 73.14 N flip ATOM 0 H HIS A 68 1.810 13.980 2.337 1.00 64.30 H new ATOM 0 HA HIS A 68 3.988 12.019 1.858 1.00 35.13 H new ATOM 0 HB2 HIS A 68 3.980 11.623 4.282 1.00 12.15 H new ATOM 0 HB3 HIS A 68 4.384 13.289 3.917 1.00 12.15 H new ATOM 0 HD2 HIS A 68 2.787 15.188 4.677 1.00 0.23 H new ATOM 0 HE1 HIS A 68 0.008 13.014 6.920 1.00 24.41 H new ATOM 0 HE2 HIS A 68 0.860 15.331 6.321 1.00 73.14 H new ATOM 1094 N VAL A 69 2.403 10.085 1.857 1.00 71.40 N ATOM 1095 CA VAL A 69 1.469 8.956 1.787 1.00 20.31 C ATOM 1096 C VAL A 69 1.136 8.436 3.195 1.00 1.43 C ATOM 1097 O VAL A 69 2.033 8.199 4.012 1.00 53.54 O ATOM 1098 CB VAL A 69 2.044 7.799 0.929 1.00 34.55 C ATOM 1099 CG1 VAL A 69 1.027 6.666 0.789 1.00 34.43 C ATOM 1100 CG2 VAL A 69 2.480 8.305 -0.445 1.00 41.13 C ATOM 0 H VAL A 69 3.333 9.886 1.487 1.00 71.40 H new ATOM 0 HA VAL A 69 0.557 9.319 1.314 1.00 20.31 H new ATOM 0 HB VAL A 69 2.922 7.406 1.441 1.00 34.55 H new ATOM 0 HG11 VAL A 69 1.454 5.867 0.183 1.00 34.43 H new ATOM 0 HG12 VAL A 69 0.776 6.278 1.776 1.00 34.43 H new ATOM 0 HG13 VAL A 69 0.125 7.044 0.308 1.00 34.43 H new ATOM 0 HG21 VAL A 69 2.880 7.475 -1.028 1.00 41.13 H new ATOM 0 HG22 VAL A 69 1.622 8.733 -0.964 1.00 41.13 H new ATOM 0 HG23 VAL A 69 3.249 9.068 -0.325 1.00 41.13 H new ATOM 1110 N THR A 70 -0.153 8.270 3.481 1.00 13.20 N ATOM 1111 CA THR A 70 -0.610 7.884 4.824 1.00 24.24 C ATOM 1112 C THR A 70 -1.084 6.427 4.872 1.00 24.12 C ATOM 1113 O THR A 70 -1.114 5.729 3.856 1.00 34.40 O ATOM 1114 CB THR A 70 -1.773 8.785 5.314 1.00 23.33 C ATOM 1115 OG1 THR A 70 -2.977 8.495 4.586 1.00 2.41 O ATOM 1116 CG2 THR A 70 -1.429 10.265 5.166 1.00 73.03 C ATOM 0 H THR A 70 -0.905 8.396 2.803 1.00 13.20 H new ATOM 0 HA THR A 70 0.254 8.007 5.477 1.00 24.24 H new ATOM 0 HB THR A 70 -1.931 8.571 6.371 1.00 23.33 H new ATOM 0 HG1 THR A 70 -2.760 8.341 3.643 1.00 2.41 H new ATOM 0 HG21 THR A 70 -2.265 10.870 5.518 1.00 73.03 H new ATOM 0 HG22 THR A 70 -0.542 10.493 5.757 1.00 73.03 H new ATOM 0 HG23 THR A 70 -1.235 10.490 4.117 1.00 73.03 H new ATOM 1124 N GLN A 71 -1.455 5.979 6.069 1.00 70.40 N ATOM 1125 CA GLN A 71 -2.026 4.643 6.267 1.00 51.24 C ATOM 1126 C GLN A 71 -3.344 4.487 5.480 1.00 62.21 C ATOM 1127 O GLN A 71 -3.694 3.390 5.037 1.00 33.13 O ATOM 1128 CB GLN A 71 -2.278 4.416 7.768 1.00 13.25 C ATOM 1129 CG GLN A 71 -2.676 2.990 8.144 1.00 22.34 C ATOM 1130 CD GLN A 71 -1.530 1.997 8.018 1.00 73.41 C ATOM 1131 OE1 GLN A 71 -0.648 2.137 7.182 1.00 10.21 O ATOM 1132 NE2 GLN A 71 -1.521 0.995 8.869 1.00 63.52 N ATOM 0 H GLN A 71 -1.370 6.526 6.926 1.00 70.40 H new ATOM 0 HA GLN A 71 -1.321 3.899 5.896 1.00 51.24 H new ATOM 0 HB2 GLN A 71 -1.375 4.683 8.318 1.00 13.25 H new ATOM 0 HB3 GLN A 71 -3.064 5.096 8.097 1.00 13.25 H new ATOM 0 HG2 GLN A 71 -3.046 2.981 9.169 1.00 22.34 H new ATOM 0 HG3 GLN A 71 -3.499 2.669 7.506 1.00 22.34 H new ATOM 0 HE21 GLN A 71 -2.269 0.903 9.556 1.00 63.52 H new ATOM 0 HE22 GLN A 71 -0.766 0.310 8.842 1.00 63.52 H new ATOM 1141 N GLU A 72 -4.056 5.608 5.300 1.00 35.02 N ATOM 1142 CA GLU A 72 -5.345 5.625 4.592 1.00 33.41 C ATOM 1143 C GLU A 72 -5.205 5.150 3.139 1.00 32.14 C ATOM 1144 O GLU A 72 -5.982 4.315 2.671 1.00 70.50 O ATOM 1145 CB GLU A 72 -5.939 7.044 4.610 1.00 22.52 C ATOM 1146 CG GLU A 72 -6.305 7.551 6.002 1.00 14.20 C ATOM 1147 CD GLU A 72 -6.771 9.000 5.999 1.00 34.13 C ATOM 1148 OE1 GLU A 72 -7.826 9.294 5.390 1.00 23.43 O ATOM 1149 OE2 GLU A 72 -6.084 9.855 6.597 1.00 23.41 O ATOM 0 H GLU A 72 -3.758 6.523 5.638 1.00 35.02 H new ATOM 0 HA GLU A 72 -6.011 4.936 5.111 1.00 33.41 H new ATOM 0 HB2 GLU A 72 -5.222 7.732 4.162 1.00 22.52 H new ATOM 0 HB3 GLU A 72 -6.831 7.061 3.983 1.00 22.52 H new ATOM 0 HG2 GLU A 72 -7.092 6.922 6.417 1.00 14.20 H new ATOM 0 HG3 GLU A 72 -5.440 7.454 6.658 1.00 14.20 H new ATOM 1156 N ASP A 73 -4.207 5.682 2.434 1.00 43.24 N ATOM 1157 CA ASP A 73 -3.992 5.363 1.019 1.00 15.54 C ATOM 1158 C ASP A 73 -3.824 3.851 0.793 1.00 44.42 C ATOM 1159 O ASP A 73 -4.484 3.263 -0.068 1.00 21.51 O ATOM 1160 CB ASP A 73 -2.759 6.108 0.501 1.00 32.44 C ATOM 1161 CG ASP A 73 -2.838 7.603 0.763 1.00 60.12 C ATOM 1162 OD1 ASP A 73 -2.481 8.031 1.878 1.00 33.43 O ATOM 1163 OD2 ASP A 73 -3.266 8.352 -0.136 1.00 43.54 O ATOM 0 H ASP A 73 -3.530 6.340 2.821 1.00 43.24 H new ATOM 0 HA ASP A 73 -4.876 5.684 0.467 1.00 15.54 H new ATOM 0 HB2 ASP A 73 -1.866 5.704 0.978 1.00 32.44 H new ATOM 0 HB3 ASP A 73 -2.655 5.934 -0.570 1.00 32.44 H new ATOM 1168 N PHE A 74 -2.948 3.227 1.579 1.00 63.42 N ATOM 1169 CA PHE A 74 -2.664 1.793 1.443 1.00 60.23 C ATOM 1170 C PHE A 74 -3.894 0.916 1.747 1.00 73.33 C ATOM 1171 O PHE A 74 -4.245 0.044 0.951 1.00 42.24 O ATOM 1172 CB PHE A 74 -1.489 1.385 2.345 1.00 73.03 C ATOM 1173 CG PHE A 74 -0.144 1.846 1.839 1.00 21.12 C ATOM 1174 CD1 PHE A 74 0.540 1.105 0.881 1.00 52.33 C ATOM 1175 CD2 PHE A 74 0.443 3.008 2.322 1.00 72.30 C ATOM 1176 CE1 PHE A 74 1.773 1.518 0.414 1.00 32.42 C ATOM 1177 CE2 PHE A 74 1.678 3.423 1.856 1.00 55.03 C ATOM 1178 CZ PHE A 74 2.344 2.675 0.904 1.00 12.22 C ATOM 0 H PHE A 74 -2.420 3.690 2.319 1.00 63.42 H new ATOM 0 HA PHE A 74 -2.394 1.624 0.400 1.00 60.23 H new ATOM 0 HB2 PHE A 74 -1.651 1.793 3.343 1.00 73.03 H new ATOM 0 HB3 PHE A 74 -1.478 0.299 2.442 1.00 73.03 H new ATOM 0 HD1 PHE A 74 0.102 0.195 0.497 1.00 52.33 H new ATOM 0 HD2 PHE A 74 -0.070 3.594 3.070 1.00 72.30 H new ATOM 0 HE1 PHE A 74 2.290 0.936 -0.334 1.00 32.42 H new ATOM 0 HE2 PHE A 74 2.121 4.331 2.236 1.00 55.03 H new ATOM 0 HZ PHE A 74 3.310 2.995 0.544 1.00 12.22 H new ATOM 1188 N GLU A 75 -4.556 1.144 2.886 1.00 42.33 N ATOM 1189 CA GLU A 75 -5.712 0.316 3.268 1.00 63.31 C ATOM 1190 C GLU A 75 -6.889 0.502 2.293 1.00 24.31 C ATOM 1191 O GLU A 75 -7.566 -0.465 1.937 1.00 73.33 O ATOM 1192 CB GLU A 75 -6.154 0.594 4.717 1.00 51.35 C ATOM 1193 CG GLU A 75 -6.652 2.010 4.977 1.00 24.42 C ATOM 1194 CD GLU A 75 -7.162 2.193 6.398 1.00 62.21 C ATOM 1195 OE1 GLU A 75 -8.334 1.852 6.662 1.00 43.14 O ATOM 1196 OE2 GLU A 75 -6.398 2.665 7.264 1.00 75.10 O ATOM 0 H GLU A 75 -4.320 1.880 3.551 1.00 42.33 H new ATOM 0 HA GLU A 75 -5.391 -0.724 3.210 1.00 63.31 H new ATOM 0 HB2 GLU A 75 -6.945 -0.108 4.981 1.00 51.35 H new ATOM 0 HB3 GLU A 75 -5.314 0.392 5.382 1.00 51.35 H new ATOM 0 HG2 GLU A 75 -5.843 2.717 4.790 1.00 24.42 H new ATOM 0 HG3 GLU A 75 -7.451 2.246 4.274 1.00 24.42 H new ATOM 1203 N MET A 76 -7.119 1.738 1.849 1.00 41.10 N ATOM 1204 CA MET A 76 -8.137 2.010 0.826 1.00 73.14 C ATOM 1205 C MET A 76 -7.749 1.381 -0.522 1.00 32.31 C ATOM 1206 O MET A 76 -8.610 0.975 -1.307 1.00 54.20 O ATOM 1207 CB MET A 76 -8.346 3.520 0.668 1.00 12.24 C ATOM 1208 CG MET A 76 -9.096 4.158 1.831 1.00 22.14 C ATOM 1209 SD MET A 76 -10.757 3.480 2.039 1.00 73.22 S ATOM 1210 CE MET A 76 -11.511 3.926 0.475 1.00 12.35 C ATOM 0 H MET A 76 -6.619 2.564 2.177 1.00 41.10 H new ATOM 0 HA MET A 76 -9.073 1.558 1.154 1.00 73.14 H new ATOM 0 HB2 MET A 76 -7.375 4.004 0.564 1.00 12.24 H new ATOM 0 HB3 MET A 76 -8.896 3.708 -0.254 1.00 12.24 H new ATOM 0 HG2 MET A 76 -8.529 4.009 2.750 1.00 22.14 H new ATOM 0 HG3 MET A 76 -9.164 5.234 1.669 1.00 22.14 H new ATOM 0 HE1 MET A 76 -12.596 3.887 0.570 1.00 12.35 H new ATOM 0 HE2 MET A 76 -11.207 4.936 0.199 1.00 12.35 H new ATOM 0 HE3 MET A 76 -11.189 3.226 -0.297 1.00 12.35 H new ATOM 1220 N ALA A 77 -6.447 1.322 -0.789 1.00 12.35 N ATOM 1221 CA ALA A 77 -5.926 0.633 -1.976 1.00 13.12 C ATOM 1222 C ALA A 77 -6.227 -0.872 -1.916 1.00 13.25 C ATOM 1223 O ALA A 77 -6.624 -1.475 -2.914 1.00 0.02 O ATOM 1224 CB ALA A 77 -4.429 0.876 -2.108 1.00 53.33 C ATOM 0 H ALA A 77 -5.728 1.743 -0.200 1.00 12.35 H new ATOM 0 HA ALA A 77 -6.426 1.039 -2.856 1.00 13.12 H new ATOM 0 HB1 ALA A 77 -4.053 0.360 -2.992 1.00 53.33 H new ATOM 0 HB2 ALA A 77 -4.241 1.945 -2.205 1.00 53.33 H new ATOM 0 HB3 ALA A 77 -3.919 0.497 -1.222 1.00 53.33 H new ATOM 1230 N VAL A 78 -6.044 -1.470 -0.736 1.00 12.52 N ATOM 1231 CA VAL A 78 -6.411 -2.875 -0.510 1.00 53.23 C ATOM 1232 C VAL A 78 -7.898 -3.107 -0.809 1.00 61.15 C ATOM 1233 O VAL A 78 -8.264 -4.033 -1.536 1.00 64.41 O ATOM 1234 CB VAL A 78 -6.112 -3.322 0.946 1.00 10.04 C ATOM 1235 CG1 VAL A 78 -6.571 -4.762 1.182 1.00 23.43 C ATOM 1236 CG2 VAL A 78 -4.628 -3.172 1.265 1.00 44.32 C ATOM 0 H VAL A 78 -5.644 -1.005 0.079 1.00 12.52 H new ATOM 0 HA VAL A 78 -5.803 -3.471 -1.190 1.00 53.23 H new ATOM 0 HB VAL A 78 -6.674 -2.673 1.618 1.00 10.04 H new ATOM 0 HG11 VAL A 78 -6.350 -5.051 2.210 1.00 23.43 H new ATOM 0 HG12 VAL A 78 -7.644 -4.835 1.008 1.00 23.43 H new ATOM 0 HG13 VAL A 78 -6.046 -5.428 0.497 1.00 23.43 H new ATOM 0 HG21 VAL A 78 -4.442 -3.491 2.291 1.00 44.32 H new ATOM 0 HG22 VAL A 78 -4.045 -3.789 0.582 1.00 44.32 H new ATOM 0 HG23 VAL A 78 -4.335 -2.128 1.151 1.00 44.32 H new ATOM 1246 N ALA A 79 -8.750 -2.252 -0.244 1.00 43.44 N ATOM 1247 CA ALA A 79 -10.192 -2.303 -0.498 1.00 32.15 C ATOM 1248 C ALA A 79 -10.505 -2.132 -1.995 1.00 1.32 C ATOM 1249 O ALA A 79 -11.410 -2.772 -2.530 1.00 34.34 O ATOM 1250 CB ALA A 79 -10.906 -1.231 0.317 1.00 14.34 C ATOM 0 H ALA A 79 -8.465 -1.511 0.397 1.00 43.44 H new ATOM 0 HA ALA A 79 -10.553 -3.285 -0.192 1.00 32.15 H new ATOM 0 HB1 ALA A 79 -11.977 -1.278 0.121 1.00 14.34 H new ATOM 0 HB2 ALA A 79 -10.724 -1.399 1.378 1.00 14.34 H new ATOM 0 HB3 ALA A 79 -10.528 -0.248 0.036 1.00 14.34 H new ATOM 1256 N LYS A 80 -9.747 -1.265 -2.663 1.00 5.43 N ATOM 1257 CA LYS A 80 -9.909 -1.034 -4.103 1.00 33.20 C ATOM 1258 C LYS A 80 -9.583 -2.297 -4.922 1.00 62.42 C ATOM 1259 O LYS A 80 -10.381 -2.732 -5.752 1.00 5.41 O ATOM 1260 CB LYS A 80 -9.012 0.134 -4.550 1.00 32.34 C ATOM 1261 CG LYS A 80 -9.102 0.462 -6.040 1.00 11.42 C ATOM 1262 CD LYS A 80 -10.501 0.923 -6.450 1.00 33.11 C ATOM 1263 CE LYS A 80 -10.891 2.242 -5.788 1.00 4.34 C ATOM 1264 NZ LYS A 80 -12.254 2.678 -6.193 1.00 12.11 N ATOM 0 H LYS A 80 -9.011 -0.707 -2.231 1.00 5.43 H new ATOM 0 HA LYS A 80 -10.953 -0.782 -4.287 1.00 33.20 H new ATOM 0 HB2 LYS A 80 -9.280 1.022 -3.978 1.00 32.34 H new ATOM 0 HB3 LYS A 80 -7.977 -0.103 -4.304 1.00 32.34 H new ATOM 0 HG2 LYS A 80 -8.380 1.241 -6.282 1.00 11.42 H new ATOM 0 HG3 LYS A 80 -8.827 -0.419 -6.621 1.00 11.42 H new ATOM 0 HD2 LYS A 80 -10.541 1.036 -7.533 1.00 33.11 H new ATOM 0 HD3 LYS A 80 -11.227 0.156 -6.183 1.00 33.11 H new ATOM 0 HE2 LYS A 80 -10.851 2.131 -4.704 1.00 4.34 H new ATOM 0 HE3 LYS A 80 -10.168 3.012 -6.056 1.00 4.34 H new ATOM 0 HZ1 LYS A 80 -12.485 3.577 -5.724 1.00 12.11 H new ATOM 0 HZ2 LYS A 80 -12.285 2.808 -7.224 1.00 12.11 H new ATOM 0 HZ3 LYS A 80 -12.947 1.954 -5.914 1.00 12.11 H new ATOM 1278 N VAL A 81 -8.409 -2.881 -4.679 1.00 5.11 N ATOM 1279 CA VAL A 81 -7.961 -4.071 -5.422 1.00 44.11 C ATOM 1280 C VAL A 81 -8.777 -5.325 -5.055 1.00 62.30 C ATOM 1281 O VAL A 81 -9.338 -5.992 -5.929 1.00 64.12 O ATOM 1282 CB VAL A 81 -6.454 -4.354 -5.176 1.00 24.23 C ATOM 1283 CG1 VAL A 81 -5.987 -5.581 -5.963 1.00 4.13 C ATOM 1284 CG2 VAL A 81 -5.610 -3.129 -5.529 1.00 43.43 C ATOM 0 H VAL A 81 -7.748 -2.553 -3.975 1.00 5.11 H new ATOM 0 HA VAL A 81 -8.121 -3.851 -6.477 1.00 44.11 H new ATOM 0 HB VAL A 81 -6.321 -4.567 -4.115 1.00 24.23 H new ATOM 0 HG11 VAL A 81 -4.928 -5.755 -5.771 1.00 4.13 H new ATOM 0 HG12 VAL A 81 -6.560 -6.454 -5.650 1.00 4.13 H new ATOM 0 HG13 VAL A 81 -6.139 -5.409 -7.029 1.00 4.13 H new ATOM 0 HG21 VAL A 81 -4.557 -3.348 -5.349 1.00 43.43 H new ATOM 0 HG22 VAL A 81 -5.754 -2.878 -6.580 1.00 43.43 H new ATOM 0 HG23 VAL A 81 -5.916 -2.286 -4.910 1.00 43.43 H new ATOM 1294 N MET A 82 -8.847 -5.636 -3.762 1.00 2.24 N ATOM 1295 CA MET A 82 -9.537 -6.846 -3.284 1.00 41.55 C ATOM 1296 C MET A 82 -11.071 -6.709 -3.341 1.00 31.13 C ATOM 1297 O MET A 82 -11.788 -7.712 -3.334 1.00 42.22 O ATOM 1298 CB MET A 82 -9.103 -7.170 -1.846 1.00 43.05 C ATOM 1299 CG MET A 82 -7.617 -7.473 -1.704 1.00 14.43 C ATOM 1300 SD MET A 82 -7.111 -8.942 -2.621 1.00 14.14 S ATOM 1301 CE MET A 82 -8.060 -10.219 -1.791 1.00 55.43 C ATOM 0 H MET A 82 -8.435 -5.069 -3.021 1.00 2.24 H new ATOM 0 HA MET A 82 -9.253 -7.659 -3.952 1.00 41.55 H new ATOM 0 HB2 MET A 82 -9.355 -6.327 -1.202 1.00 43.05 H new ATOM 0 HB3 MET A 82 -9.674 -8.027 -1.489 1.00 43.05 H new ATOM 0 HG2 MET A 82 -7.041 -6.616 -2.054 1.00 14.43 H new ATOM 0 HG3 MET A 82 -7.378 -7.609 -0.649 1.00 14.43 H new ATOM 0 HE1 MET A 82 -7.620 -11.194 -2.001 1.00 55.43 H new ATOM 0 HE2 MET A 82 -8.049 -10.040 -0.716 1.00 55.43 H new ATOM 0 HE3 MET A 82 -9.089 -10.200 -2.151 1.00 55.43 H new ATOM 1311 N GLN A 83 -11.562 -5.465 -3.381 1.00 33.40 N ATOM 1312 CA GLN A 83 -13.009 -5.179 -3.387 1.00 15.35 C ATOM 1313 C GLN A 83 -13.695 -5.673 -2.100 1.00 4.23 C ATOM 1314 O GLN A 83 -14.912 -5.855 -2.057 1.00 13.23 O ATOM 1315 CB GLN A 83 -13.685 -5.793 -4.623 1.00 13.44 C ATOM 1316 CG GLN A 83 -13.215 -5.194 -5.945 1.00 1.21 C ATOM 1317 CD GLN A 83 -13.931 -5.792 -7.144 1.00 72.41 C ATOM 1318 OE1 GLN A 83 -15.080 -6.213 -7.053 1.00 10.31 O ATOM 1319 NE2 GLN A 83 -13.269 -5.819 -8.284 1.00 32.51 N ATOM 0 H GLN A 83 -10.976 -4.631 -3.410 1.00 33.40 H new ATOM 0 HA GLN A 83 -13.122 -4.096 -3.429 1.00 15.35 H new ATOM 0 HB2 GLN A 83 -13.495 -6.866 -4.634 1.00 13.44 H new ATOM 0 HB3 GLN A 83 -14.764 -5.661 -4.538 1.00 13.44 H new ATOM 0 HG2 GLN A 83 -13.378 -4.116 -5.930 1.00 1.21 H new ATOM 0 HG3 GLN A 83 -12.142 -5.353 -6.051 1.00 1.21 H new ATOM 0 HE21 GLN A 83 -12.315 -5.462 -8.328 1.00 32.51 H new ATOM 0 HE22 GLN A 83 -13.711 -6.197 -9.122 1.00 32.51 H new