USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 453 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 22 MET CE :methyl -110:sc= -9.2! (180deg=-17.2!) USER MOD Set 1.2: A 23 THR OG1 : rot 180:sc= 0.056 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.0045) USER MOD Single : A 14 HIS : no HD1:sc= -1.01 X(o=-1,f=-0.52) USER MOD Single : A 19 LYS NZ :NH3+ -158:sc= -1.59! (180deg=-4.02!) USER MOD Single : A 21 ASN : amide:sc= -1.68 K(o=-1.7,f=-6.6!) USER MOD Single : A 25 HIS : no HE2:sc= -4.97! C(o=-5!,f=-6.3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 58:sc= -3.64! USER MOD Single : A 44 CYS SG : rot -112:sc= -1.88 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -147:sc= 1.48 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -136:sc= 0.089 (180deg=-0.573!) USER MOD Single : A 68 LYS NZ :NH3+ -125:sc= 0.955 (180deg=-3.23!) USER MOD Single : A 69 MET CE :methyl -158:sc= -31.1! (180deg=-35.8!) USER MOD Single : A 74 GLN : amide:sc= -0.527 K(o=-0.53,f=-3.5!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -17.674 7.455 35.651 1.00 0.00 N ATOM 122 CA PRO A 9 -17.669 8.656 36.514 1.00 0.00 C ATOM 123 C PRO A 9 -18.930 8.693 37.385 1.00 0.00 C ATOM 124 O PRO A 9 -18.846 8.810 38.606 1.00 0.00 O ATOM 125 CB PRO A 9 -17.602 9.819 35.516 1.00 0.00 C ATOM 126 CG PRO A 9 -18.110 9.264 34.166 1.00 0.00 C ATOM 127 CD PRO A 9 -17.878 7.742 34.214 1.00 0.00 C ATOM 0 HA PRO A 9 -16.839 8.688 37.220 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -18.219 10.653 35.850 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -16.582 10.193 35.423 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -19.166 9.493 34.024 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -17.571 9.714 33.332 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -18.733 7.195 33.815 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -17.010 7.452 33.622 1.00 0.00 H new ATOM 135 N ILE A 10 -20.093 8.558 36.797 1.00 0.00 N ATOM 136 CA ILE A 10 -21.350 8.546 37.615 1.00 0.00 C ATOM 137 C ILE A 10 -21.204 7.461 38.688 1.00 0.00 C ATOM 138 O ILE A 10 -21.390 7.712 39.876 1.00 0.00 O ATOM 139 CB ILE A 10 -22.552 8.237 36.706 1.00 0.00 C ATOM 140 CG1 ILE A 10 -22.904 9.476 35.881 1.00 0.00 C ATOM 141 CG2 ILE A 10 -23.766 7.845 37.553 1.00 0.00 C ATOM 142 CD1 ILE A 10 -23.816 9.074 34.720 1.00 0.00 C ATOM 0 H ILE A 10 -20.228 8.456 35.791 1.00 0.00 H new ATOM 0 HA ILE A 10 -21.514 9.516 38.085 1.00 0.00 H new ATOM 0 HB ILE A 10 -22.288 7.412 36.045 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -23.402 10.215 36.509 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -21.996 9.942 35.499 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -24.611 7.628 36.899 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -23.528 6.960 38.143 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -24.025 8.667 38.220 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -24.067 9.957 34.132 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -23.302 8.351 34.087 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -24.730 8.628 35.113 1.00 0.00 H new ATOM 154 N SER A 11 -20.845 6.265 38.292 1.00 0.00 N ATOM 155 CA SER A 11 -20.660 5.167 39.291 1.00 0.00 C ATOM 156 C SER A 11 -19.621 5.591 40.335 1.00 0.00 C ATOM 157 O SER A 11 -19.841 5.447 41.533 1.00 0.00 O ATOM 158 CB SER A 11 -20.186 3.896 38.588 1.00 0.00 C ATOM 159 OG SER A 11 -20.920 2.781 39.081 1.00 0.00 O ATOM 0 H SER A 11 -20.672 6.002 37.322 1.00 0.00 H new ATOM 0 HA SER A 11 -21.612 4.970 39.783 1.00 0.00 H new ATOM 0 HB2 SER A 11 -20.325 3.990 37.511 1.00 0.00 H new ATOM 0 HB3 SER A 11 -19.120 3.748 38.760 1.00 0.00 H new ATOM 0 HG SER A 11 -20.618 1.965 38.630 1.00 0.00 H new ATOM 165 N GLN A 12 -18.499 6.126 39.911 1.00 0.00 N ATOM 166 CA GLN A 12 -17.467 6.574 40.899 1.00 0.00 C ATOM 167 C GLN A 12 -18.080 7.657 41.795 1.00 0.00 C ATOM 168 O GLN A 12 -17.942 7.627 43.017 1.00 0.00 O ATOM 169 CB GLN A 12 -16.249 7.130 40.156 1.00 0.00 C ATOM 170 CG GLN A 12 -15.317 5.971 39.775 1.00 0.00 C ATOM 171 CD GLN A 12 -13.917 6.506 39.470 1.00 0.00 C ATOM 172 OE1 GLN A 12 -13.374 6.263 38.400 1.00 0.00 O ATOM 173 NE2 GLN A 12 -13.296 7.221 40.356 1.00 0.00 N ATOM 0 H GLN A 12 -18.255 6.271 38.931 1.00 0.00 H new ATOM 0 HA GLN A 12 -17.146 5.732 41.512 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -16.567 7.666 39.262 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -15.720 7.846 40.785 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -15.270 5.248 40.590 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -15.712 5.446 38.905 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -13.743 7.427 41.249 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.361 7.577 40.159 1.00 0.00 H new ATOM 182 N VAL A 13 -18.786 8.593 41.213 1.00 0.00 N ATOM 183 CA VAL A 13 -19.448 9.652 42.033 1.00 0.00 C ATOM 184 C VAL A 13 -20.380 8.955 43.029 1.00 0.00 C ATOM 185 O VAL A 13 -20.434 9.303 44.206 1.00 0.00 O ATOM 186 CB VAL A 13 -20.258 10.585 41.120 1.00 0.00 C ATOM 187 CG1 VAL A 13 -21.024 11.600 41.968 1.00 0.00 C ATOM 188 CG2 VAL A 13 -19.310 11.334 40.182 1.00 0.00 C ATOM 0 H VAL A 13 -18.932 8.670 40.206 1.00 0.00 H new ATOM 0 HA VAL A 13 -18.705 10.249 42.562 1.00 0.00 H new ATOM 0 HB VAL A 13 -20.961 9.990 40.537 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -21.597 12.260 41.316 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -21.703 11.074 42.640 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -20.319 12.191 42.553 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -19.886 11.996 39.535 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -18.607 11.924 40.770 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -18.761 10.617 39.572 1.00 0.00 H new ATOM 198 N HIS A 14 -21.091 7.953 42.572 1.00 0.00 N ATOM 199 CA HIS A 14 -22.000 7.189 43.471 1.00 0.00 C ATOM 200 C HIS A 14 -21.163 6.523 44.579 1.00 0.00 C ATOM 201 O HIS A 14 -21.476 6.635 45.760 1.00 0.00 O ATOM 202 CB HIS A 14 -22.720 6.110 42.649 1.00 0.00 C ATOM 203 CG HIS A 14 -23.838 6.720 41.842 1.00 0.00 C ATOM 204 ND1 HIS A 14 -25.077 6.112 41.737 1.00 0.00 N ATOM 205 CD2 HIS A 14 -23.921 7.870 41.092 1.00 0.00 C ATOM 206 CE1 HIS A 14 -25.848 6.891 40.955 1.00 0.00 C ATOM 207 NE2 HIS A 14 -25.192 7.975 40.536 1.00 0.00 N ATOM 0 H HIS A 14 -21.077 7.632 41.604 1.00 0.00 H new ATOM 0 HA HIS A 14 -22.735 7.856 43.921 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -22.011 5.617 41.984 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -23.119 5.344 43.314 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -23.121 8.583 40.955 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -26.873 6.666 40.698 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -25.546 8.720 39.937 1.00 0.00 H new ATOM 215 N GLU A 15 -20.101 5.847 44.210 1.00 0.00 N ATOM 216 CA GLU A 15 -19.220 5.172 45.222 1.00 0.00 C ATOM 217 C GLU A 15 -18.804 6.163 46.323 1.00 0.00 C ATOM 218 O GLU A 15 -18.715 5.807 47.498 1.00 0.00 O ATOM 219 CB GLU A 15 -17.962 4.647 44.518 1.00 0.00 C ATOM 220 CG GLU A 15 -17.927 3.114 44.599 1.00 0.00 C ATOM 221 CD GLU A 15 -17.579 2.665 46.016 1.00 0.00 C ATOM 222 OE1 GLU A 15 -16.514 3.025 46.497 1.00 0.00 O ATOM 223 OE2 GLU A 15 -18.399 1.995 46.624 1.00 0.00 O ATOM 0 H GLU A 15 -19.802 5.732 43.242 1.00 0.00 H new ATOM 0 HA GLU A 15 -19.771 4.350 45.678 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -17.957 4.966 43.476 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -17.070 5.066 44.984 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -18.895 2.706 44.308 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -17.192 2.723 43.896 1.00 0.00 H new ATOM 230 N ILE A 16 -18.532 7.392 45.969 1.00 0.00 N ATOM 231 CA ILE A 16 -18.107 8.395 46.997 1.00 0.00 C ATOM 232 C ILE A 16 -19.337 9.054 47.635 1.00 0.00 C ATOM 233 O ILE A 16 -19.518 9.010 48.854 1.00 0.00 O ATOM 234 CB ILE A 16 -17.237 9.466 46.323 1.00 0.00 C ATOM 235 CG1 ILE A 16 -15.969 8.825 45.758 1.00 0.00 C ATOM 236 CG2 ILE A 16 -16.843 10.538 47.340 1.00 0.00 C ATOM 237 CD1 ILE A 16 -15.524 9.597 44.515 1.00 0.00 C ATOM 0 H ILE A 16 -18.585 7.747 45.014 1.00 0.00 H new ATOM 0 HA ILE A 16 -17.536 7.892 47.777 1.00 0.00 H new ATOM 0 HB ILE A 16 -17.809 9.923 45.516 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -15.178 8.833 46.508 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -16.157 7.782 45.504 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -16.226 11.293 46.852 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -17.742 11.007 47.741 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -16.280 10.079 48.153 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -14.620 9.143 44.109 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -16.314 9.566 43.765 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -15.320 10.633 44.784 1.00 0.00 H new ATOM 249 N GLY A 17 -20.178 9.671 46.842 1.00 0.00 N ATOM 250 CA GLY A 17 -21.395 10.338 47.401 1.00 0.00 C ATOM 251 C GLY A 17 -22.208 9.330 48.211 1.00 0.00 C ATOM 252 O GLY A 17 -22.584 9.592 49.354 1.00 0.00 O ATOM 0 H GLY A 17 -20.074 9.742 45.830 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -21.104 11.177 48.033 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -22.003 10.744 46.592 1.00 0.00 H new ATOM 256 N ILE A 18 -22.473 8.176 47.658 1.00 0.00 N ATOM 257 CA ILE A 18 -23.251 7.146 48.411 1.00 0.00 C ATOM 258 C ILE A 18 -22.310 6.396 49.362 1.00 0.00 C ATOM 259 O ILE A 18 -22.179 5.172 49.316 1.00 0.00 O ATOM 260 CB ILE A 18 -23.883 6.147 47.435 1.00 0.00 C ATOM 261 CG1 ILE A 18 -24.731 6.882 46.400 1.00 0.00 C ATOM 262 CG2 ILE A 18 -24.775 5.165 48.199 1.00 0.00 C ATOM 263 CD1 ILE A 18 -25.035 5.923 45.254 1.00 0.00 C ATOM 0 H ILE A 18 -22.185 7.901 46.719 1.00 0.00 H new ATOM 0 HA ILE A 18 -24.039 7.639 48.980 1.00 0.00 H new ATOM 0 HB ILE A 18 -23.083 5.605 46.931 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -25.657 7.237 46.852 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -24.200 7.759 46.029 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -25.221 4.458 47.499 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -24.176 4.623 48.930 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -25.564 5.714 48.712 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -25.641 6.432 44.504 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -24.101 5.590 44.801 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -25.580 5.060 45.636 1.00 0.00 H new ATOM 275 N LYS A 19 -21.649 7.104 50.226 1.00 0.00 N ATOM 276 CA LYS A 19 -20.721 6.436 51.178 1.00 0.00 C ATOM 277 C LYS A 19 -20.549 7.326 52.415 1.00 0.00 C ATOM 278 O LYS A 19 -20.988 6.996 53.514 1.00 0.00 O ATOM 279 CB LYS A 19 -19.363 6.224 50.498 1.00 0.00 C ATOM 280 CG LYS A 19 -18.476 5.349 51.388 1.00 0.00 C ATOM 281 CD LYS A 19 -17.305 4.803 50.566 1.00 0.00 C ATOM 282 CE LYS A 19 -17.719 3.497 49.877 1.00 0.00 C ATOM 283 NZ LYS A 19 -18.060 3.766 48.453 1.00 0.00 N ATOM 0 H LYS A 19 -21.709 8.118 50.317 1.00 0.00 H new ATOM 0 HA LYS A 19 -21.127 5.470 51.478 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.501 5.750 49.526 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -18.881 7.185 50.318 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.102 5.931 52.231 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.058 4.526 51.802 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -16.998 5.537 49.821 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -16.445 4.627 51.213 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -16.908 2.771 49.936 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.576 3.060 50.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -18.675 3.008 48.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -18.556 4.677 48.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -17.188 3.801 47.888 1.00 0.00 H new ATOM 297 N ARG A 20 -19.921 8.455 52.237 1.00 0.00 N ATOM 298 CA ARG A 20 -19.703 9.406 53.367 1.00 0.00 C ATOM 299 C ARG A 20 -19.011 10.663 52.823 1.00 0.00 C ATOM 300 O ARG A 20 -18.047 11.167 53.394 1.00 0.00 O ATOM 301 CB ARG A 20 -18.826 8.739 54.436 1.00 0.00 C ATOM 302 CG ARG A 20 -19.264 9.213 55.824 1.00 0.00 C ATOM 303 CD ARG A 20 -20.617 8.588 56.172 1.00 0.00 C ATOM 304 NE ARG A 20 -20.399 7.405 57.058 1.00 0.00 N ATOM 305 CZ ARG A 20 -20.921 7.368 58.236 1.00 0.00 C ATOM 306 NH1 ARG A 20 -20.351 7.990 59.209 1.00 0.00 N ATOM 307 NH2 ARG A 20 -22.010 6.711 58.434 1.00 0.00 N ATOM 0 H ARG A 20 -19.543 8.765 51.342 1.00 0.00 H new ATOM 0 HA ARG A 20 -20.656 9.681 53.819 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -18.911 7.655 54.367 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -17.778 8.988 54.269 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -18.519 8.932 56.568 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -19.338 10.300 55.842 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -21.251 9.320 56.672 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -21.136 8.285 55.262 1.00 0.00 H new ATOM 0 HE ARG A 20 -19.834 6.622 56.729 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -19.489 8.510 59.046 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -20.762 7.963 60.142 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -22.458 6.221 57.660 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -22.425 6.680 59.365 1.00 0.00 H new ATOM 321 N ASN A 21 -19.485 11.169 51.712 1.00 0.00 N ATOM 322 CA ASN A 21 -18.858 12.380 51.110 1.00 0.00 C ATOM 323 C ASN A 21 -19.897 13.506 50.986 1.00 0.00 C ATOM 324 O ASN A 21 -19.901 14.445 51.778 1.00 0.00 O ATOM 325 CB ASN A 21 -18.291 12.009 49.730 1.00 0.00 C ATOM 326 CG ASN A 21 -17.927 13.271 48.947 1.00 0.00 C ATOM 327 OD1 ASN A 21 -18.610 13.630 47.999 1.00 0.00 O ATOM 328 ND2 ASN A 21 -16.883 13.963 49.286 1.00 0.00 N ATOM 0 H ASN A 21 -20.281 10.793 51.197 1.00 0.00 H new ATOM 0 HA ASN A 21 -18.050 12.737 51.748 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -17.409 11.380 49.849 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -19.025 11.426 49.173 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -16.635 14.802 48.762 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -16.310 13.668 50.076 1.00 0.00 H new ATOM 335 N MET A 22 -20.753 13.453 49.999 1.00 0.00 N ATOM 336 CA MET A 22 -21.745 14.534 49.820 1.00 0.00 C ATOM 337 C MET A 22 -22.954 14.017 49.012 1.00 0.00 C ATOM 338 O MET A 22 -22.851 13.058 48.244 1.00 0.00 O ATOM 339 CB MET A 22 -21.022 15.654 49.074 1.00 0.00 C ATOM 340 CG MET A 22 -22.006 16.449 48.236 1.00 0.00 C ATOM 341 SD MET A 22 -22.979 17.522 49.318 1.00 0.00 S ATOM 342 CE MET A 22 -24.351 17.805 48.178 1.00 0.00 C ATOM 0 H MET A 22 -20.802 12.702 49.311 1.00 0.00 H new ATOM 0 HA MET A 22 -22.132 14.891 50.774 1.00 0.00 H new ATOM 0 HB2 MET A 22 -20.525 16.313 49.786 1.00 0.00 H new ATOM 0 HB3 MET A 22 -20.246 15.233 48.434 1.00 0.00 H new ATOM 0 HG2 MET A 22 -21.473 17.046 47.496 1.00 0.00 H new ATOM 0 HG3 MET A 22 -22.663 15.774 47.687 1.00 0.00 H new ATOM 0 HE1 MET A 22 -24.329 18.838 47.831 1.00 0.00 H new ATOM 0 HE2 MET A 22 -24.259 17.134 47.324 1.00 0.00 H new ATOM 0 HE3 MET A 22 -25.294 17.614 48.690 1.00 0.00 H new ATOM 352 N THR A 23 -24.095 14.642 49.166 1.00 0.00 N ATOM 353 CA THR A 23 -25.317 14.212 48.411 1.00 0.00 C ATOM 354 C THR A 23 -25.084 14.361 46.903 1.00 0.00 C ATOM 355 O THR A 23 -24.764 15.439 46.408 1.00 0.00 O ATOM 356 CB THR A 23 -26.498 15.097 48.806 1.00 0.00 C ATOM 357 OG1 THR A 23 -26.229 15.722 50.053 1.00 0.00 O ATOM 358 CG2 THR A 23 -27.758 14.247 48.934 1.00 0.00 C ATOM 0 H THR A 23 -24.235 15.439 49.787 1.00 0.00 H new ATOM 0 HA THR A 23 -25.527 13.170 48.651 1.00 0.00 H new ATOM 0 HB THR A 23 -26.647 15.857 48.039 1.00 0.00 H new ATOM 0 HG1 THR A 23 -26.987 16.291 50.304 1.00 0.00 H new ATOM 0 HG21 THR A 23 -28.598 14.882 49.216 1.00 0.00 H new ATOM 0 HG22 THR A 23 -27.971 13.766 47.979 1.00 0.00 H new ATOM 0 HG23 THR A 23 -27.607 13.485 49.698 1.00 0.00 H new ATOM 366 N VAL A 24 -25.242 13.307 46.156 1.00 0.00 N ATOM 367 CA VAL A 24 -25.019 13.401 44.677 1.00 0.00 C ATOM 368 C VAL A 24 -26.310 13.797 43.944 1.00 0.00 C ATOM 369 O VAL A 24 -26.959 12.966 43.308 1.00 0.00 O ATOM 370 CB VAL A 24 -24.524 12.051 44.135 1.00 0.00 C ATOM 371 CG1 VAL A 24 -23.026 11.940 44.370 1.00 0.00 C ATOM 372 CG2 VAL A 24 -25.230 10.891 44.845 1.00 0.00 C ATOM 0 H VAL A 24 -25.515 12.385 46.498 1.00 0.00 H new ATOM 0 HA VAL A 24 -24.268 14.171 44.500 1.00 0.00 H new ATOM 0 HB VAL A 24 -24.746 11.998 43.069 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -22.668 10.984 43.988 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -22.515 12.752 43.853 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -22.820 12.004 45.438 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -24.865 9.944 44.446 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -25.023 10.939 45.914 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -26.305 10.964 44.680 1.00 0.00 H new ATOM 382 N HIS A 25 -26.697 15.047 43.991 1.00 0.00 N ATOM 383 CA HIS A 25 -27.937 15.448 43.263 1.00 0.00 C ATOM 384 C HIS A 25 -27.599 15.678 41.784 1.00 0.00 C ATOM 385 O HIS A 25 -27.146 16.750 41.397 1.00 0.00 O ATOM 386 CB HIS A 25 -28.500 16.742 43.856 1.00 0.00 C ATOM 387 CG HIS A 25 -28.976 16.507 45.261 1.00 0.00 C ATOM 388 ND1 HIS A 25 -30.282 16.154 45.550 1.00 0.00 N ATOM 389 CD2 HIS A 25 -28.333 16.588 46.467 1.00 0.00 C ATOM 390 CE1 HIS A 25 -30.383 16.036 46.888 1.00 0.00 C ATOM 391 NE2 HIS A 25 -29.221 16.291 47.494 1.00 0.00 N ATOM 0 H HIS A 25 -26.217 15.795 44.493 1.00 0.00 H new ATOM 0 HA HIS A 25 -28.681 14.657 43.360 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -27.733 17.517 43.849 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -29.324 17.104 43.241 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -31.032 16.009 44.873 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -27.292 16.844 46.600 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -31.292 15.768 47.407 1.00 0.00 H new ATOM 399 N PHE A 26 -27.801 14.692 40.955 1.00 0.00 N ATOM 400 CA PHE A 26 -27.488 14.852 39.499 1.00 0.00 C ATOM 401 C PHE A 26 -28.772 15.192 38.727 1.00 0.00 C ATOM 402 O PHE A 26 -29.737 14.429 38.737 1.00 0.00 O ATOM 403 CB PHE A 26 -26.901 13.542 38.965 1.00 0.00 C ATOM 404 CG PHE A 26 -25.407 13.525 39.184 1.00 0.00 C ATOM 405 CD1 PHE A 26 -24.888 13.262 40.457 1.00 0.00 C ATOM 406 CD2 PHE A 26 -24.542 13.768 38.113 1.00 0.00 C ATOM 407 CE1 PHE A 26 -23.503 13.244 40.658 1.00 0.00 C ATOM 408 CE2 PHE A 26 -23.157 13.750 38.313 1.00 0.00 C ATOM 409 CZ PHE A 26 -22.637 13.488 39.586 1.00 0.00 C ATOM 0 H PHE A 26 -28.170 13.779 41.219 1.00 0.00 H new ATOM 0 HA PHE A 26 -26.767 15.659 39.367 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -27.362 12.693 39.471 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -27.123 13.439 37.903 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -25.556 13.073 41.284 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -24.943 13.970 37.131 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -23.103 13.042 41.640 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -22.489 13.938 37.485 1.00 0.00 H new ATOM 0 HZ PHE A 26 -21.568 13.474 39.741 1.00 0.00 H new ATOM 419 N LYS A 27 -28.809 16.317 38.057 1.00 0.00 N ATOM 420 CA LYS A 27 -30.041 16.689 37.292 1.00 0.00 C ATOM 421 C LYS A 27 -29.755 17.837 36.308 1.00 0.00 C ATOM 422 O LYS A 27 -29.071 18.812 36.629 1.00 0.00 O ATOM 423 CB LYS A 27 -31.138 17.123 38.274 1.00 0.00 C ATOM 424 CG LYS A 27 -30.654 18.318 39.104 1.00 0.00 C ATOM 425 CD LYS A 27 -31.842 18.927 39.856 1.00 0.00 C ATOM 426 CE LYS A 27 -31.752 20.453 39.813 1.00 0.00 C ATOM 427 NZ LYS A 27 -33.123 21.021 39.637 1.00 0.00 N ATOM 0 H LYS A 27 -28.045 16.991 38.006 1.00 0.00 H new ATOM 0 HA LYS A 27 -30.369 15.819 36.722 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -32.042 17.391 37.727 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -31.398 16.294 38.932 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -29.887 17.998 39.810 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -30.198 19.065 38.455 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -32.778 18.596 39.406 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -31.846 18.582 40.890 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -31.305 20.829 40.733 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -31.107 20.768 38.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -33.067 22.059 39.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -33.532 20.670 38.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -33.725 20.729 40.434 1.00 0.00 H new ATOM 441 N VAL A 28 -30.293 17.752 35.121 1.00 0.00 N ATOM 442 CA VAL A 28 -30.087 18.843 34.119 1.00 0.00 C ATOM 443 C VAL A 28 -31.089 19.971 34.409 1.00 0.00 C ATOM 444 O VAL A 28 -32.163 19.738 34.965 1.00 0.00 O ATOM 445 CB VAL A 28 -30.317 18.288 32.705 1.00 0.00 C ATOM 446 CG1 VAL A 28 -30.201 19.415 31.677 1.00 0.00 C ATOM 447 CG2 VAL A 28 -29.260 17.229 32.394 1.00 0.00 C ATOM 0 H VAL A 28 -30.868 16.973 34.799 1.00 0.00 H new ATOM 0 HA VAL A 28 -29.070 19.229 34.186 1.00 0.00 H new ATOM 0 HB VAL A 28 -31.313 17.848 32.656 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -30.365 19.014 30.677 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -30.949 20.179 31.889 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -29.206 19.856 31.732 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -29.423 16.835 31.391 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -28.268 17.677 32.451 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -29.334 16.418 33.118 1.00 0.00 H new ATOM 457 N LEU A 29 -30.767 21.186 34.055 1.00 0.00 N ATOM 458 CA LEU A 29 -31.718 22.312 34.320 1.00 0.00 C ATOM 459 C LEU A 29 -32.593 22.540 33.085 1.00 0.00 C ATOM 460 O LEU A 29 -33.818 22.482 33.154 1.00 0.00 O ATOM 461 CB LEU A 29 -30.944 23.602 34.642 1.00 0.00 C ATOM 462 CG LEU A 29 -29.730 23.292 35.519 1.00 0.00 C ATOM 463 CD1 LEU A 29 -29.027 24.596 35.881 1.00 0.00 C ATOM 464 CD2 LEU A 29 -30.179 22.597 36.802 1.00 0.00 C ATOM 0 H LEU A 29 -29.895 21.450 33.597 1.00 0.00 H new ATOM 0 HA LEU A 29 -32.343 22.052 35.174 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -30.620 24.079 33.717 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -31.599 24.308 35.153 1.00 0.00 H new ATOM 0 HG LEU A 29 -29.050 22.639 34.972 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -28.161 24.381 36.506 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -28.701 25.099 34.970 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -29.716 25.242 36.425 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -29.309 22.379 37.422 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -30.860 23.248 37.349 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -30.689 21.666 36.552 1.00 0.00 H new ATOM 476 N ARG A 30 -31.979 22.803 31.962 1.00 0.00 N ATOM 477 CA ARG A 30 -32.758 23.044 30.703 1.00 0.00 C ATOM 478 C ARG A 30 -31.803 23.386 29.545 1.00 0.00 C ATOM 479 O ARG A 30 -30.604 23.573 29.744 1.00 0.00 O ATOM 480 CB ARG A 30 -33.724 24.212 30.928 1.00 0.00 C ATOM 481 CG ARG A 30 -35.089 23.870 30.326 1.00 0.00 C ATOM 482 CD ARG A 30 -35.982 25.109 30.348 1.00 0.00 C ATOM 483 NE ARG A 30 -35.457 26.106 29.362 1.00 0.00 N ATOM 484 CZ ARG A 30 -36.238 27.000 28.861 1.00 0.00 C ATOM 485 NH1 ARG A 30 -36.631 27.991 29.588 1.00 0.00 N ATOM 486 NH2 ARG A 30 -36.624 26.896 27.636 1.00 0.00 N ATOM 0 H ARG A 30 -30.966 22.862 31.858 1.00 0.00 H new ATOM 0 HA ARG A 30 -33.315 22.143 30.447 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -33.825 24.413 31.994 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -33.329 25.118 30.469 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -34.968 23.514 29.303 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -35.555 23.063 30.891 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -37.008 24.838 30.099 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -36.000 25.542 31.348 1.00 0.00 H new ATOM 0 HE ARG A 30 -34.476 26.077 29.085 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -36.323 28.066 30.558 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -37.249 28.700 29.193 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -36.311 26.109 27.068 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -37.242 27.601 27.235 1.00 0.00 H new ATOM 631 N PHE A 40 -26.821 22.461 27.134 1.00 0.00 N ATOM 632 CA PHE A 40 -27.695 21.783 28.135 1.00 0.00 C ATOM 633 C PHE A 40 -27.071 21.899 29.530 1.00 0.00 C ATOM 634 O PHE A 40 -26.446 20.955 30.031 1.00 0.00 O ATOM 635 CB PHE A 40 -27.840 20.306 27.752 1.00 0.00 C ATOM 636 CG PHE A 40 -28.970 20.144 26.767 1.00 0.00 C ATOM 637 CD1 PHE A 40 -30.279 19.965 27.227 1.00 0.00 C ATOM 638 CD2 PHE A 40 -28.709 20.172 25.394 1.00 0.00 C ATOM 639 CE1 PHE A 40 -31.327 19.810 26.314 1.00 0.00 C ATOM 640 CE2 PHE A 40 -29.757 20.018 24.479 1.00 0.00 C ATOM 641 CZ PHE A 40 -31.067 19.838 24.940 1.00 0.00 C ATOM 0 HA PHE A 40 -28.677 22.257 28.147 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -26.910 19.941 27.316 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -28.032 19.707 28.642 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -30.480 19.946 28.288 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -27.699 20.312 25.039 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -32.337 19.669 26.670 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -29.555 20.038 23.418 1.00 0.00 H new ATOM 0 HZ PHE A 40 -31.876 19.721 24.235 1.00 0.00 H new ATOM 651 N ILE A 41 -27.225 23.031 30.171 1.00 0.00 N ATOM 652 CA ILE A 41 -26.642 23.211 31.538 1.00 0.00 C ATOM 653 C ILE A 41 -27.091 22.051 32.446 1.00 0.00 C ATOM 654 O ILE A 41 -28.282 21.844 32.697 1.00 0.00 O ATOM 655 CB ILE A 41 -27.090 24.563 32.117 1.00 0.00 C ATOM 656 CG1 ILE A 41 -26.417 24.787 33.473 1.00 0.00 C ATOM 657 CG2 ILE A 41 -28.610 24.591 32.296 1.00 0.00 C ATOM 658 CD1 ILE A 41 -26.515 26.266 33.856 1.00 0.00 C ATOM 0 H ILE A 41 -27.730 23.839 29.807 1.00 0.00 H new ATOM 0 HA ILE A 41 -25.554 23.204 31.479 1.00 0.00 H new ATOM 0 HB ILE A 41 -26.801 25.353 31.424 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -26.896 24.171 34.234 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -25.372 24.481 33.427 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -28.910 25.555 32.707 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -29.093 24.442 31.330 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -28.911 23.796 32.979 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -26.035 26.424 34.822 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -26.016 26.872 33.099 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -27.564 26.557 33.920 1.00 0.00 H new ATOM 670 N THR A 42 -26.156 21.277 32.928 1.00 0.00 N ATOM 671 CA THR A 42 -26.512 20.110 33.804 1.00 0.00 C ATOM 672 C THR A 42 -25.914 20.305 35.199 1.00 0.00 C ATOM 673 O THR A 42 -24.726 20.578 35.341 1.00 0.00 O ATOM 674 CB THR A 42 -25.953 18.823 33.183 1.00 0.00 C ATOM 675 OG1 THR A 42 -26.666 18.524 31.993 1.00 0.00 O ATOM 676 CG2 THR A 42 -26.111 17.658 34.159 1.00 0.00 C ATOM 0 H THR A 42 -25.158 21.398 32.756 1.00 0.00 H new ATOM 0 HA THR A 42 -27.596 20.038 33.887 1.00 0.00 H new ATOM 0 HB THR A 42 -24.896 18.969 32.960 1.00 0.00 H new ATOM 0 HG1 THR A 42 -26.589 19.275 31.368 1.00 0.00 H new ATOM 0 HG21 THR A 42 -25.711 16.749 33.709 1.00 0.00 H new ATOM 0 HG22 THR A 42 -25.567 17.877 35.078 1.00 0.00 H new ATOM 0 HG23 THR A 42 -27.167 17.515 34.387 1.00 0.00 H new ATOM 684 N ALA A 43 -26.706 20.171 36.233 1.00 0.00 N ATOM 685 CA ALA A 43 -26.162 20.357 37.612 1.00 0.00 C ATOM 686 C ALA A 43 -25.992 19.014 38.321 1.00 0.00 C ATOM 687 O ALA A 43 -26.689 18.036 38.043 1.00 0.00 O ATOM 688 CB ALA A 43 -27.109 21.235 38.430 1.00 0.00 C ATOM 0 H ALA A 43 -27.699 19.942 36.183 1.00 0.00 H new ATOM 0 HA ALA A 43 -25.187 20.837 37.527 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -26.707 21.367 39.434 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -27.210 22.208 37.949 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -28.087 20.757 38.491 1.00 0.00 H new ATOM 694 N CYS A 44 -25.085 18.968 39.250 1.00 0.00 N ATOM 695 CA CYS A 44 -24.846 17.720 40.021 1.00 0.00 C ATOM 696 C CYS A 44 -24.534 18.100 41.479 1.00 0.00 C ATOM 697 O CYS A 44 -24.231 19.261 41.780 1.00 0.00 O ATOM 698 CB CYS A 44 -23.679 16.958 39.394 1.00 0.00 C ATOM 699 SG CYS A 44 -24.007 16.684 37.635 1.00 0.00 S ATOM 0 H CYS A 44 -24.490 19.753 39.513 1.00 0.00 H new ATOM 0 HA CYS A 44 -25.726 17.077 40.001 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -22.755 17.522 39.518 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -23.540 16.003 39.901 1.00 0.00 H new ATOM 0 HG CYS A 44 -24.193 15.415 37.421 1.00 0.00 H new ATOM 705 N ILE A 45 -24.636 17.163 42.392 1.00 0.00 N ATOM 706 CA ILE A 45 -24.389 17.474 43.843 1.00 0.00 C ATOM 707 C ILE A 45 -25.440 18.480 44.313 1.00 0.00 C ATOM 708 O ILE A 45 -26.402 18.103 44.960 1.00 0.00 O ATOM 709 CB ILE A 45 -22.994 17.995 44.073 1.00 0.00 C ATOM 710 CG1 ILE A 45 -21.998 16.830 43.994 1.00 0.00 C ATOM 711 CG2 ILE A 45 -22.945 18.628 45.463 1.00 0.00 C ATOM 712 CD1 ILE A 45 -22.069 15.960 45.253 1.00 0.00 C ATOM 0 H ILE A 45 -24.880 16.192 42.197 1.00 0.00 H new ATOM 0 HA ILE A 45 -24.474 16.556 44.424 1.00 0.00 H new ATOM 0 HB ILE A 45 -22.732 18.735 43.317 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -22.213 16.222 43.115 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -20.987 17.219 43.873 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -21.943 19.013 45.652 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -23.664 19.446 45.516 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -23.193 17.878 46.214 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -21.353 15.142 45.171 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -21.830 16.565 46.127 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -23.075 15.553 45.358 1.00 0.00 H new ATOM 724 N VAL A 46 -25.281 19.731 43.955 1.00 0.00 N ATOM 725 CA VAL A 46 -26.281 20.812 44.298 1.00 0.00 C ATOM 726 C VAL A 46 -26.608 20.919 45.810 1.00 0.00 C ATOM 727 O VAL A 46 -26.482 21.993 46.388 1.00 0.00 O ATOM 728 CB VAL A 46 -27.576 20.558 43.507 1.00 0.00 C ATOM 729 CG1 VAL A 46 -28.453 21.810 43.548 1.00 0.00 C ATOM 730 CG2 VAL A 46 -27.244 20.234 42.044 1.00 0.00 C ATOM 0 H VAL A 46 -24.477 20.065 43.423 1.00 0.00 H new ATOM 0 HA VAL A 46 -25.823 21.762 44.024 1.00 0.00 H new ATOM 0 HB VAL A 46 -28.104 19.716 43.956 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -29.370 21.630 42.988 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -28.700 22.047 44.583 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -27.914 22.646 43.103 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -28.167 20.056 41.492 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -26.711 21.073 41.597 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -26.618 19.343 42.002 1.00 0.00 H new ATOM 740 N GLY A 47 -27.062 19.858 46.439 1.00 0.00 N ATOM 741 CA GLY A 47 -27.442 19.898 47.904 1.00 0.00 C ATOM 742 C GLY A 47 -26.415 20.665 48.750 1.00 0.00 C ATOM 743 O GLY A 47 -25.511 20.078 49.334 1.00 0.00 O ATOM 0 H GLY A 47 -27.190 18.948 45.997 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -28.420 20.366 48.011 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -27.533 18.880 48.282 1.00 0.00 H new ATOM 747 N SER A 48 -26.548 21.966 48.830 1.00 0.00 N ATOM 748 CA SER A 48 -25.590 22.798 49.639 1.00 0.00 C ATOM 749 C SER A 48 -24.154 22.691 49.091 1.00 0.00 C ATOM 750 O SER A 48 -23.219 23.231 49.680 1.00 0.00 O ATOM 751 CB SER A 48 -25.609 22.331 51.097 1.00 0.00 C ATOM 752 OG SER A 48 -26.678 22.977 51.781 1.00 0.00 O ATOM 0 H SER A 48 -27.285 22.497 48.366 1.00 0.00 H new ATOM 0 HA SER A 48 -25.908 23.839 49.573 1.00 0.00 H new ATOM 0 HB2 SER A 48 -25.733 21.249 51.143 1.00 0.00 H new ATOM 0 HB3 SER A 48 -24.659 22.564 51.579 1.00 0.00 H new ATOM 0 HG SER A 48 -26.696 22.680 52.715 1.00 0.00 H new ATOM 758 N ILE A 49 -23.954 22.012 47.983 1.00 0.00 N ATOM 759 CA ILE A 49 -22.575 21.876 47.417 1.00 0.00 C ATOM 760 C ILE A 49 -22.639 21.753 45.876 1.00 0.00 C ATOM 761 O ILE A 49 -23.672 21.414 45.287 1.00 0.00 O ATOM 762 CB ILE A 49 -21.901 20.624 48.022 1.00 0.00 C ATOM 763 CG1 ILE A 49 -21.750 20.805 49.541 1.00 0.00 C ATOM 764 CG2 ILE A 49 -20.513 20.416 47.404 1.00 0.00 C ATOM 765 CD1 ILE A 49 -20.808 19.738 50.111 1.00 0.00 C ATOM 0 H ILE A 49 -24.688 21.547 47.448 1.00 0.00 H new ATOM 0 HA ILE A 49 -21.991 22.762 47.668 1.00 0.00 H new ATOM 0 HB ILE A 49 -22.523 19.755 47.810 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -21.359 21.799 49.759 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -22.726 20.733 50.022 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -20.050 19.531 47.839 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -20.611 20.282 46.327 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -19.890 21.288 47.606 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -20.710 19.877 51.188 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -21.216 18.747 49.909 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -19.828 19.830 49.642 1.00 0.00 H new ATOM 777 N VAL A 50 -21.541 22.021 45.222 1.00 0.00 N ATOM 778 CA VAL A 50 -21.469 21.935 43.728 1.00 0.00 C ATOM 779 C VAL A 50 -22.449 22.923 43.053 1.00 0.00 C ATOM 780 O VAL A 50 -22.259 24.126 43.173 1.00 0.00 O ATOM 781 CB VAL A 50 -21.687 20.514 43.268 1.00 0.00 C ATOM 782 CG1 VAL A 50 -21.571 20.448 41.743 1.00 0.00 C ATOM 783 CG2 VAL A 50 -20.582 19.636 43.864 1.00 0.00 C ATOM 0 H VAL A 50 -20.668 22.303 45.669 1.00 0.00 H new ATOM 0 HA VAL A 50 -20.467 22.232 43.418 1.00 0.00 H new ATOM 0 HB VAL A 50 -22.673 20.173 43.585 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -21.728 19.422 41.410 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -22.324 21.095 41.293 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -20.578 20.780 41.439 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -20.724 18.604 43.542 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -19.610 19.993 43.523 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -20.625 19.686 44.952 1.00 0.00 H new ATOM 793 N THR A 51 -23.465 22.436 42.346 1.00 0.00 N ATOM 794 CA THR A 51 -24.480 23.317 41.628 1.00 0.00 C ATOM 795 C THR A 51 -24.563 22.894 40.144 1.00 0.00 C ATOM 796 O THR A 51 -24.284 21.744 39.795 1.00 0.00 O ATOM 797 CB THR A 51 -24.143 24.825 41.711 1.00 0.00 C ATOM 798 OG1 THR A 51 -25.300 25.565 41.334 1.00 0.00 O ATOM 799 CG2 THR A 51 -22.975 25.174 40.774 1.00 0.00 C ATOM 0 H THR A 51 -23.638 21.437 42.234 1.00 0.00 H new ATOM 0 HA THR A 51 -25.437 23.176 42.130 1.00 0.00 H new ATOM 0 HB THR A 51 -23.846 25.075 42.729 1.00 0.00 H new ATOM 0 HG1 THR A 51 -25.027 26.390 40.881 1.00 0.00 H new ATOM 0 HG21 THR A 51 -22.755 26.239 40.848 1.00 0.00 H new ATOM 0 HG22 THR A 51 -22.094 24.600 41.062 1.00 0.00 H new ATOM 0 HG23 THR A 51 -23.247 24.930 39.747 1.00 0.00 H new ATOM 807 N GLU A 52 -24.957 23.790 39.271 1.00 0.00 N ATOM 808 CA GLU A 52 -25.077 23.453 37.816 1.00 0.00 C ATOM 809 C GLU A 52 -23.702 23.345 37.130 1.00 0.00 C ATOM 810 O GLU A 52 -22.652 23.625 37.713 1.00 0.00 O ATOM 811 CB GLU A 52 -25.895 24.547 37.124 1.00 0.00 C ATOM 812 CG GLU A 52 -25.084 25.852 37.080 1.00 0.00 C ATOM 813 CD GLU A 52 -25.647 26.845 38.093 1.00 0.00 C ATOM 814 OE1 GLU A 52 -26.553 27.573 37.734 1.00 0.00 O ATOM 815 OE2 GLU A 52 -25.158 26.859 39.211 1.00 0.00 O ATOM 0 H GLU A 52 -25.203 24.751 39.507 1.00 0.00 H new ATOM 0 HA GLU A 52 -25.567 22.483 37.734 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -26.155 24.235 36.112 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -26.831 24.707 37.659 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -24.036 25.648 37.301 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -25.121 26.280 36.078 1.00 0.00 H new ATOM 822 N GLY A 53 -23.712 22.948 35.882 1.00 0.00 N ATOM 823 CA GLY A 53 -22.450 22.815 35.087 1.00 0.00 C ATOM 824 C GLY A 53 -22.763 23.163 33.626 1.00 0.00 C ATOM 825 O GLY A 53 -23.790 22.746 33.083 1.00 0.00 O ATOM 0 H GLY A 53 -24.560 22.705 35.369 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -21.682 23.481 35.480 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -22.060 21.800 35.161 1.00 0.00 H new ATOM 829 N GLU A 54 -21.922 23.924 32.980 1.00 0.00 N ATOM 830 CA GLU A 54 -22.202 24.310 31.557 1.00 0.00 C ATOM 831 C GLU A 54 -21.824 23.163 30.598 1.00 0.00 C ATOM 832 O GLU A 54 -20.763 23.164 29.968 1.00 0.00 O ATOM 833 CB GLU A 54 -21.441 25.601 31.173 1.00 0.00 C ATOM 834 CG GLU A 54 -20.899 26.336 32.421 1.00 0.00 C ATOM 835 CD GLU A 54 -19.482 25.871 32.737 1.00 0.00 C ATOM 836 OE1 GLU A 54 -19.351 24.855 33.403 1.00 0.00 O ATOM 837 OE2 GLU A 54 -18.552 26.503 32.269 1.00 0.00 O ATOM 0 H GLU A 54 -21.056 24.296 33.369 1.00 0.00 H new ATOM 0 HA GLU A 54 -23.271 24.503 31.467 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -20.613 25.352 30.509 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -22.105 26.264 30.619 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -20.906 27.412 32.249 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -21.550 26.146 33.274 1.00 0.00 H new ATOM 844 N GLY A 55 -22.683 22.183 30.474 1.00 0.00 N ATOM 845 CA GLY A 55 -22.406 21.029 29.555 1.00 0.00 C ATOM 846 C GLY A 55 -22.955 21.328 28.152 1.00 0.00 C ATOM 847 O GLY A 55 -23.831 22.171 27.975 1.00 0.00 O ATOM 0 H GLY A 55 -23.571 22.130 30.972 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -21.333 20.845 29.503 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -22.866 20.122 29.948 1.00 0.00 H new ATOM 943 N LYS A 62 -23.560 15.386 30.506 1.00 0.00 N ATOM 944 CA LYS A 62 -23.552 14.200 31.419 1.00 0.00 C ATOM 945 C LYS A 62 -22.107 13.792 31.778 1.00 0.00 C ATOM 946 O LYS A 62 -21.887 13.038 32.723 1.00 0.00 O ATOM 947 CB LYS A 62 -24.268 13.030 30.730 1.00 0.00 C ATOM 948 CG LYS A 62 -25.592 12.738 31.450 1.00 0.00 C ATOM 949 CD LYS A 62 -25.532 11.344 32.091 1.00 0.00 C ATOM 950 CE LYS A 62 -26.230 11.366 33.455 1.00 0.00 C ATOM 951 NZ LYS A 62 -26.956 10.074 33.663 1.00 0.00 N ATOM 0 HA LYS A 62 -24.070 14.461 32.342 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -24.457 13.272 29.684 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -23.633 12.144 30.742 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -25.777 13.493 32.214 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -26.421 12.790 30.744 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -26.012 10.614 31.439 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -24.494 11.033 32.209 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -25.498 11.516 34.248 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -26.929 12.201 33.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -27.430 10.087 34.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -27.665 9.949 32.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -26.278 9.286 33.633 1.00 0.00 H new ATOM 965 N LYS A 63 -21.124 14.272 31.052 1.00 0.00 N ATOM 966 CA LYS A 63 -19.705 13.904 31.362 1.00 0.00 C ATOM 967 C LYS A 63 -18.962 15.102 31.967 1.00 0.00 C ATOM 968 O LYS A 63 -18.411 15.019 33.058 1.00 0.00 O ATOM 969 CB LYS A 63 -18.998 13.476 30.071 1.00 0.00 C ATOM 970 CG LYS A 63 -18.536 12.022 30.192 1.00 0.00 C ATOM 971 CD LYS A 63 -17.019 11.948 30.000 1.00 0.00 C ATOM 972 CE LYS A 63 -16.306 12.429 31.263 1.00 0.00 C ATOM 973 NZ LYS A 63 -14.874 12.681 30.932 1.00 0.00 N ATOM 0 H LYS A 63 -21.243 14.902 30.259 1.00 0.00 H new ATOM 0 HA LYS A 63 -19.703 13.084 32.080 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -19.674 13.583 29.222 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -18.143 14.125 29.881 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -18.809 11.623 31.169 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -19.038 11.407 29.445 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.723 10.924 29.773 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.722 12.561 29.149 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.774 13.339 31.638 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.386 11.681 32.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.270 12.289 31.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.641 12.225 30.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.710 13.705 30.855 1.00 0.00 H new ATOM 987 N ARG A 64 -18.931 16.208 31.275 1.00 0.00 N ATOM 988 CA ARG A 64 -18.217 17.415 31.793 1.00 0.00 C ATOM 989 C ARG A 64 -18.722 17.772 33.199 1.00 0.00 C ATOM 990 O ARG A 64 -17.936 17.960 34.130 1.00 0.00 O ATOM 991 CB ARG A 64 -18.476 18.579 30.837 1.00 0.00 C ATOM 992 CG ARG A 64 -17.656 19.788 31.275 1.00 0.00 C ATOM 993 CD ARG A 64 -18.415 21.064 30.931 1.00 0.00 C ATOM 994 NE ARG A 64 -17.598 22.231 31.360 1.00 0.00 N ATOM 995 CZ ARG A 64 -17.570 23.297 30.647 1.00 0.00 C ATOM 996 NH1 ARG A 64 -16.710 23.417 29.707 1.00 0.00 N ATOM 997 NH2 ARG A 64 -18.407 24.222 30.879 1.00 0.00 N ATOM 0 H ARG A 64 -19.373 16.330 30.364 1.00 0.00 H new ATOM 0 HA ARG A 64 -17.148 17.211 31.855 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -18.209 18.294 29.819 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.537 18.829 30.830 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -17.465 19.743 32.347 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -16.686 19.783 30.778 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -18.610 21.112 29.860 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -19.383 21.075 31.432 1.00 0.00 H new ATOM 0 HE ARG A 64 -17.058 22.183 32.224 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -16.046 22.665 29.524 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -16.689 24.265 29.141 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -19.093 24.114 31.626 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -18.394 25.074 30.318 1.00 0.00 H new ATOM 1011 N ALA A 65 -20.016 17.866 33.367 1.00 0.00 N ATOM 1012 CA ALA A 65 -20.579 18.204 34.709 1.00 0.00 C ATOM 1013 C ALA A 65 -20.210 17.099 35.717 1.00 0.00 C ATOM 1014 O ALA A 65 -19.725 17.376 36.811 1.00 0.00 O ATOM 1015 CB ALA A 65 -22.105 18.320 34.602 1.00 0.00 C ATOM 0 H ALA A 65 -20.708 17.723 32.632 1.00 0.00 H new ATOM 0 HA ALA A 65 -20.166 19.152 35.052 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -22.521 18.567 35.579 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -22.361 19.105 33.890 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -22.519 17.371 34.261 1.00 0.00 H new ATOM 1021 N ALA A 66 -20.433 15.853 35.365 1.00 0.00 N ATOM 1022 CA ALA A 66 -20.111 14.721 36.297 1.00 0.00 C ATOM 1023 C ALA A 66 -18.618 14.722 36.683 1.00 0.00 C ATOM 1024 O ALA A 66 -18.274 14.663 37.866 1.00 0.00 O ATOM 1025 CB ALA A 66 -20.468 13.399 35.614 1.00 0.00 C ATOM 0 H ALA A 66 -20.826 15.570 34.468 1.00 0.00 H new ATOM 0 HA ALA A 66 -20.693 14.843 37.211 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -20.238 12.570 36.283 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -21.532 13.388 35.376 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -19.889 13.296 34.696 1.00 0.00 H new ATOM 1031 N GLU A 67 -17.731 14.779 35.721 1.00 0.00 N ATOM 1032 CA GLU A 67 -16.265 14.779 36.041 1.00 0.00 C ATOM 1033 C GLU A 67 -15.961 15.864 37.077 1.00 0.00 C ATOM 1034 O GLU A 67 -15.325 15.609 38.104 1.00 0.00 O ATOM 1035 CB GLU A 67 -15.460 15.050 34.769 1.00 0.00 C ATOM 1036 CG GLU A 67 -15.780 13.975 33.730 1.00 0.00 C ATOM 1037 CD GLU A 67 -14.847 12.783 33.916 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -15.153 11.931 34.724 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -13.856 12.726 33.202 1.00 0.00 O ATOM 0 H GLU A 67 -17.956 14.826 34.727 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.988 13.805 36.445 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -15.703 16.037 34.375 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.393 15.050 34.993 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.817 13.656 33.831 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.668 14.383 32.725 1.00 0.00 H new ATOM 1046 N LYS A 68 -16.417 17.066 36.836 1.00 0.00 N ATOM 1047 CA LYS A 68 -16.172 18.171 37.813 1.00 0.00 C ATOM 1048 C LYS A 68 -16.651 17.732 39.207 1.00 0.00 C ATOM 1049 O LYS A 68 -16.017 18.029 40.214 1.00 0.00 O ATOM 1050 CB LYS A 68 -16.922 19.432 37.367 1.00 0.00 C ATOM 1051 CG LYS A 68 -16.563 20.593 38.303 1.00 0.00 C ATOM 1052 CD LYS A 68 -17.093 21.911 37.725 1.00 0.00 C ATOM 1053 CE LYS A 68 -18.192 22.473 38.633 1.00 0.00 C ATOM 1054 NZ LYS A 68 -17.576 23.237 39.759 1.00 0.00 N ATOM 0 H LYS A 68 -16.948 17.331 36.006 1.00 0.00 H new ATOM 0 HA LYS A 68 -15.106 18.394 37.855 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -16.657 19.683 36.340 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -17.997 19.255 37.384 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.990 20.421 39.291 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -15.482 20.649 38.429 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.280 22.632 37.634 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -17.487 21.746 36.722 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -18.853 23.122 38.060 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -18.804 21.660 39.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.922 22.860 40.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.541 23.142 39.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.835 24.241 39.680 1.00 0.00 H new ATOM 1068 N MET A 69 -17.740 17.004 39.277 1.00 0.00 N ATOM 1069 CA MET A 69 -18.247 16.512 40.601 1.00 0.00 C ATOM 1070 C MET A 69 -17.136 15.720 41.297 1.00 0.00 C ATOM 1071 O MET A 69 -16.810 15.960 42.457 1.00 0.00 O ATOM 1072 CB MET A 69 -19.458 15.589 40.387 1.00 0.00 C ATOM 1073 CG MET A 69 -20.438 16.227 39.402 1.00 0.00 C ATOM 1074 SD MET A 69 -20.709 17.954 39.860 1.00 0.00 S ATOM 1075 CE MET A 69 -21.600 17.616 41.395 1.00 0.00 C ATOM 0 H MET A 69 -18.302 16.728 38.472 1.00 0.00 H new ATOM 0 HA MET A 69 -18.544 17.364 41.213 1.00 0.00 H new ATOM 0 HB2 MET A 69 -19.126 14.623 40.007 1.00 0.00 H new ATOM 0 HB3 MET A 69 -19.956 15.403 41.339 1.00 0.00 H new ATOM 0 HG2 MET A 69 -20.043 16.166 38.388 1.00 0.00 H new ATOM 0 HG3 MET A 69 -21.383 15.684 39.409 1.00 0.00 H new ATOM 0 HE1 MET A 69 -22.204 18.483 41.664 1.00 0.00 H new ATOM 0 HE2 MET A 69 -22.248 16.751 41.256 1.00 0.00 H new ATOM 0 HE3 MET A 69 -20.886 17.410 42.192 1.00 0.00 H new ATOM 1085 N LEU A 70 -16.541 14.788 40.599 1.00 0.00 N ATOM 1086 CA LEU A 70 -15.436 13.984 41.206 1.00 0.00 C ATOM 1087 C LEU A 70 -14.220 14.890 41.443 1.00 0.00 C ATOM 1088 O LEU A 70 -13.598 14.854 42.499 1.00 0.00 O ATOM 1089 CB LEU A 70 -15.054 12.847 40.250 1.00 0.00 C ATOM 1090 CG LEU A 70 -16.173 11.805 40.206 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -15.717 10.606 39.381 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -16.507 11.341 41.623 1.00 0.00 C ATOM 0 H LEU A 70 -16.772 14.548 39.635 1.00 0.00 H new ATOM 0 HA LEU A 70 -15.765 13.564 42.157 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -14.876 13.245 39.251 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.125 12.381 40.578 1.00 0.00 H new ATOM 0 HG LEU A 70 -17.059 12.251 39.753 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -16.513 9.862 39.349 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -15.482 10.930 38.367 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.829 10.167 39.837 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -17.305 10.599 41.584 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.621 10.898 42.079 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -16.834 12.194 42.218 1.00 0.00 H new ATOM 1104 N VAL A 71 -13.884 15.705 40.478 1.00 0.00 N ATOM 1105 CA VAL A 71 -12.713 16.632 40.623 1.00 0.00 C ATOM 1106 C VAL A 71 -12.886 17.513 41.876 1.00 0.00 C ATOM 1107 O VAL A 71 -11.956 17.690 42.665 1.00 0.00 O ATOM 1108 CB VAL A 71 -12.631 17.520 39.371 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -11.470 18.504 39.507 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -12.401 16.646 38.135 1.00 0.00 C ATOM 0 H VAL A 71 -14.373 15.772 39.585 1.00 0.00 H new ATOM 0 HA VAL A 71 -11.797 16.052 40.730 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.566 18.071 39.266 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -11.418 19.130 38.616 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.626 19.132 40.384 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -10.537 17.952 39.618 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -12.343 17.278 37.248 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.468 16.094 38.248 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.228 15.944 38.027 1.00 0.00 H new ATOM 1120 N GLU A 72 -14.057 18.061 42.068 1.00 0.00 N ATOM 1121 CA GLU A 72 -14.311 18.931 43.257 1.00 0.00 C ATOM 1122 C GLU A 72 -14.437 18.077 44.530 1.00 0.00 C ATOM 1123 O GLU A 72 -13.736 18.294 45.519 1.00 0.00 O ATOM 1124 CB GLU A 72 -15.619 19.706 43.030 1.00 0.00 C ATOM 1125 CG GLU A 72 -15.334 21.215 42.999 1.00 0.00 C ATOM 1126 CD GLU A 72 -16.105 21.874 41.855 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -17.318 21.984 41.955 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -15.478 22.274 40.893 1.00 0.00 O ATOM 0 H GLU A 72 -14.857 17.942 41.446 1.00 0.00 H new ATOM 0 HA GLU A 72 -13.478 19.622 43.383 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -16.078 19.395 42.092 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -16.330 19.478 43.824 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.621 21.666 43.949 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.265 21.388 42.874 1.00 0.00 H new ATOM 1135 N LEU A 73 -15.324 17.114 44.528 1.00 0.00 N ATOM 1136 CA LEU A 73 -15.518 16.249 45.739 1.00 0.00 C ATOM 1137 C LEU A 73 -14.215 15.532 46.125 1.00 0.00 C ATOM 1138 O LEU A 73 -13.977 15.253 47.298 1.00 0.00 O ATOM 1139 CB LEU A 73 -16.609 15.212 45.456 1.00 0.00 C ATOM 1140 CG LEU A 73 -17.927 15.928 45.156 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -18.942 14.921 44.626 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -18.469 16.566 46.434 1.00 0.00 C ATOM 0 H LEU A 73 -15.927 16.886 43.737 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.816 16.887 46.571 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -16.321 14.587 44.610 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -16.729 14.551 46.314 1.00 0.00 H new ATOM 0 HG LEU A 73 -17.754 16.703 44.409 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -19.882 15.430 44.412 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -18.560 14.465 43.713 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -19.111 14.147 45.374 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -19.408 17.075 46.217 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -18.641 15.792 47.182 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -17.746 17.286 46.816 1.00 0.00 H new ATOM 1154 N GLN A 74 -13.370 15.224 45.176 1.00 0.00 N ATOM 1155 CA GLN A 74 -12.093 14.523 45.514 1.00 0.00 C ATOM 1156 C GLN A 74 -11.057 15.517 46.099 1.00 0.00 C ATOM 1157 O GLN A 74 -9.989 15.108 46.552 1.00 0.00 O ATOM 1158 CB GLN A 74 -11.525 13.866 44.245 1.00 0.00 C ATOM 1159 CG GLN A 74 -12.268 12.547 43.957 1.00 0.00 C ATOM 1160 CD GLN A 74 -12.081 11.561 45.114 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -13.045 11.006 45.623 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -10.889 11.304 45.558 1.00 0.00 N ATOM 0 H GLN A 74 -13.507 15.426 44.186 1.00 0.00 H new ATOM 0 HA GLN A 74 -12.298 13.761 46.266 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -11.628 14.544 43.397 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -10.460 13.673 44.371 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -13.329 12.746 43.809 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -11.894 12.107 43.033 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.079 11.762 45.140 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.762 10.644 46.325 1.00 0.00 H new ATOM 1171 N LYS A 75 -11.342 16.804 46.100 1.00 0.00 N ATOM 1172 CA LYS A 75 -10.358 17.800 46.655 1.00 0.00 C ATOM 1173 C LYS A 75 -10.954 18.562 47.861 1.00 0.00 C ATOM 1174 O LYS A 75 -10.227 18.918 48.781 1.00 0.00 O ATOM 1175 CB LYS A 75 -9.976 18.793 45.545 1.00 0.00 C ATOM 1176 CG LYS A 75 -9.012 19.862 46.089 1.00 0.00 C ATOM 1177 CD LYS A 75 -9.708 21.231 46.077 1.00 0.00 C ATOM 1178 CE LYS A 75 -10.068 21.657 47.504 1.00 0.00 C ATOM 1179 NZ LYS A 75 -9.092 22.673 47.996 1.00 0.00 N ATOM 0 H LYS A 75 -12.209 17.206 45.743 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.474 17.266 47.002 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.508 18.260 44.717 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.873 19.270 45.151 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.704 19.607 47.103 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.108 19.896 45.480 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.054 21.975 45.622 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.609 21.183 45.466 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.077 22.070 47.525 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.065 20.789 48.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.344 22.956 48.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.135 22.266 47.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.116 23.507 47.375 1.00 0.00 H new ATOM 1193 N LEU A 76 -12.251 18.797 47.862 1.00 0.00 N ATOM 1194 CA LEU A 76 -12.949 19.514 48.971 1.00 0.00 C ATOM 1195 C LEU A 76 -12.215 20.814 49.397 1.00 0.00 C ATOM 1196 O LEU A 76 -12.561 21.855 48.858 1.00 0.00 O ATOM 1197 CB LEU A 76 -13.110 18.547 50.139 1.00 0.00 C ATOM 1198 CG LEU A 76 -14.558 18.048 50.185 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -14.652 16.777 51.030 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -15.444 19.129 50.798 1.00 0.00 C ATOM 1201 OXT LEU A 76 -11.344 20.764 50.256 1.00 0.00 O ATOM 0 H LEU A 76 -12.872 18.507 47.106 1.00 0.00 H new ATOM 0 HA LEU A 76 -13.929 19.839 48.621 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -12.426 17.706 50.027 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.854 19.043 51.075 1.00 0.00 H new ATOM 0 HG LEU A 76 -14.890 17.826 49.171 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -15.686 16.432 51.055 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -14.022 16.002 50.593 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -14.316 16.989 52.045 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -16.475 18.778 50.833 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -15.102 19.350 51.809 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -15.389 20.032 50.191 1.00 0.00 H new