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 51 THR OG1 : rot -150:sc= -0.64 USER MOD Set 1.2: A 69 MET CE :methyl -135:sc= -5.12! (180deg=-8.6!) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0475 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -2.65 X(o=-2.7,f=-3.1) USER MOD Single : A 19 LYS NZ :NH3+ 165:sc= -0.229 (180deg=-1.36!) USER MOD Single : A 21 ASN : amide:sc= -0.167 X(o=-0.17,f=-0.024) USER MOD Single : A 22 MET CE :methyl -128:sc= -1.69 (180deg=-4.07!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 25 HIS : no HE2:sc= -1.64 K(o=-1.6,f=-3.5) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 153:sc= 1.49 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -148:sc= 0.369 (180deg=-2.26!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= -0.695 (180deg=-0.695) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -124:sc= 1.67 (180deg=-1.63!) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -17.934 7.355 35.911 1.00 0.00 N ATOM 122 CA PRO A 9 -19.124 8.029 35.343 1.00 0.00 C ATOM 123 C PRO A 9 -20.238 8.213 36.400 1.00 0.00 C ATOM 124 O PRO A 9 -20.307 9.238 37.074 1.00 0.00 O ATOM 125 CB PRO A 9 -19.560 7.075 34.223 1.00 0.00 C ATOM 126 CG PRO A 9 -18.988 5.679 34.585 1.00 0.00 C ATOM 127 CD PRO A 9 -17.846 5.913 35.591 1.00 0.00 C ATOM 0 HA PRO A 9 -18.913 9.038 34.988 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -20.647 7.040 34.144 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -19.181 7.411 33.258 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -19.761 5.045 35.019 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -18.620 5.169 33.695 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -17.969 5.299 36.483 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -16.877 5.659 35.160 1.00 0.00 H new ATOM 135 N ILE A 10 -21.122 7.256 36.544 1.00 0.00 N ATOM 136 CA ILE A 10 -22.236 7.402 37.539 1.00 0.00 C ATOM 137 C ILE A 10 -22.171 6.289 38.595 1.00 0.00 C ATOM 138 O ILE A 10 -22.261 6.551 39.793 1.00 0.00 O ATOM 139 CB ILE A 10 -23.580 7.343 36.802 1.00 0.00 C ATOM 140 CG1 ILE A 10 -23.657 8.479 35.773 1.00 0.00 C ATOM 141 CG2 ILE A 10 -24.721 7.497 37.808 1.00 0.00 C ATOM 142 CD1 ILE A 10 -23.582 9.834 36.484 1.00 0.00 C ATOM 0 H ILE A 10 -21.123 6.382 36.018 1.00 0.00 H new ATOM 0 HA ILE A 10 -22.134 8.361 38.047 1.00 0.00 H new ATOM 0 HB ILE A 10 -23.667 6.384 36.292 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -22.840 8.389 35.057 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -24.586 8.406 35.207 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -25.676 7.455 37.284 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -24.673 6.690 38.539 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -24.629 8.456 38.319 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -23.637 10.635 35.747 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -24.414 9.925 37.182 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -22.641 9.907 37.029 1.00 0.00 H new ATOM 154 N SER A 11 -22.017 5.058 38.182 1.00 0.00 N ATOM 155 CA SER A 11 -21.945 3.930 39.172 1.00 0.00 C ATOM 156 C SER A 11 -20.975 4.282 40.307 1.00 0.00 C ATOM 157 O SER A 11 -21.316 4.199 41.483 1.00 0.00 O ATOM 158 CB SER A 11 -21.457 2.658 38.471 1.00 0.00 C ATOM 159 OG SER A 11 -20.682 3.017 37.331 1.00 0.00 O ATOM 0 H SER A 11 -21.938 4.780 37.204 1.00 0.00 H new ATOM 0 HA SER A 11 -22.939 3.765 39.587 1.00 0.00 H new ATOM 0 HB2 SER A 11 -20.860 2.057 39.157 1.00 0.00 H new ATOM 0 HB3 SER A 11 -22.307 2.046 38.169 1.00 0.00 H new ATOM 0 HG SER A 11 -20.367 2.206 36.881 1.00 0.00 H new ATOM 165 N GLN A 12 -19.774 4.676 39.974 1.00 0.00 N ATOM 166 CA GLN A 12 -18.781 5.033 41.032 1.00 0.00 C ATOM 167 C GLN A 12 -19.285 6.239 41.844 1.00 0.00 C ATOM 168 O GLN A 12 -19.213 6.242 43.072 1.00 0.00 O ATOM 169 CB GLN A 12 -17.435 5.369 40.385 1.00 0.00 C ATOM 170 CG GLN A 12 -16.724 4.082 39.939 1.00 0.00 C ATOM 171 CD GLN A 12 -15.458 3.882 40.773 1.00 0.00 C ATOM 172 OE1 GLN A 12 -14.441 4.528 40.536 1.00 0.00 O ATOM 173 NE2 GLN A 12 -15.462 3.021 41.743 1.00 0.00 N ATOM 0 H GLN A 12 -19.437 4.766 39.016 1.00 0.00 H new ATOM 0 HA GLN A 12 -18.656 4.183 41.703 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -17.589 6.024 39.527 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.809 5.912 41.093 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -17.389 3.227 40.058 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -16.469 4.143 38.881 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -16.305 2.482 41.943 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -14.622 2.883 42.306 1.00 0.00 H new ATOM 182 N VAL A 13 -19.809 7.254 41.193 1.00 0.00 N ATOM 183 CA VAL A 13 -20.330 8.440 41.951 1.00 0.00 C ATOM 184 C VAL A 13 -21.395 7.956 42.953 1.00 0.00 C ATOM 185 O VAL A 13 -21.440 8.401 44.102 1.00 0.00 O ATOM 186 CB VAL A 13 -20.915 9.481 40.968 1.00 0.00 C ATOM 187 CG1 VAL A 13 -22.445 9.416 40.940 1.00 0.00 C ATOM 188 CG2 VAL A 13 -20.497 10.886 41.403 1.00 0.00 C ATOM 0 H VAL A 13 -19.898 7.313 40.179 1.00 0.00 H new ATOM 0 HA VAL A 13 -19.521 8.923 42.500 1.00 0.00 H new ATOM 0 HB VAL A 13 -20.532 9.257 39.973 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -22.828 10.159 40.240 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -22.761 8.422 40.623 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -22.836 9.621 41.937 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -20.909 11.619 40.710 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -20.874 11.083 42.407 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -19.409 10.958 41.403 1.00 0.00 H new ATOM 198 N HIS A 14 -22.226 7.023 42.549 1.00 0.00 N ATOM 199 CA HIS A 14 -23.255 6.475 43.478 1.00 0.00 C ATOM 200 C HIS A 14 -22.532 5.652 44.550 1.00 0.00 C ATOM 201 O HIS A 14 -22.847 5.731 45.731 1.00 0.00 O ATOM 202 CB HIS A 14 -24.223 5.586 42.693 1.00 0.00 C ATOM 203 CG HIS A 14 -25.268 6.443 42.040 1.00 0.00 C ATOM 204 ND1 HIS A 14 -26.568 6.513 42.513 1.00 0.00 N ATOM 205 CD2 HIS A 14 -25.217 7.283 40.957 1.00 0.00 C ATOM 206 CE1 HIS A 14 -27.241 7.372 41.723 1.00 0.00 C ATOM 207 NE2 HIS A 14 -26.463 7.869 40.759 1.00 0.00 N ATOM 0 H HIS A 14 -22.232 6.619 41.612 1.00 0.00 H new ATOM 0 HA HIS A 14 -23.823 7.279 43.946 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -23.681 5.016 41.939 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -24.694 4.864 43.360 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -24.342 7.462 40.350 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -28.282 7.627 41.854 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -26.726 8.535 40.033 1.00 0.00 H new ATOM 215 N GLU A 15 -21.546 4.885 44.149 1.00 0.00 N ATOM 216 CA GLU A 15 -20.757 4.067 45.124 1.00 0.00 C ATOM 217 C GLU A 15 -20.265 4.972 46.265 1.00 0.00 C ATOM 218 O GLU A 15 -20.390 4.643 47.446 1.00 0.00 O ATOM 219 CB GLU A 15 -19.547 3.470 44.393 1.00 0.00 C ATOM 220 CG GLU A 15 -19.567 1.942 44.514 1.00 0.00 C ATOM 221 CD GLU A 15 -18.813 1.508 45.766 1.00 0.00 C ATOM 222 OE1 GLU A 15 -19.411 1.486 46.824 1.00 0.00 O ATOM 223 OE2 GLU A 15 -17.636 1.220 45.655 1.00 0.00 O ATOM 0 H GLU A 15 -21.251 4.790 43.177 1.00 0.00 H new ATOM 0 HA GLU A 15 -21.378 3.271 45.535 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -19.566 3.761 43.343 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -18.624 3.865 44.817 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -20.596 1.586 44.558 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -19.112 1.493 43.631 1.00 0.00 H new ATOM 230 N ILE A 16 -19.713 6.114 45.932 1.00 0.00 N ATOM 231 CA ILE A 16 -19.215 7.056 46.986 1.00 0.00 C ATOM 232 C ILE A 16 -20.384 7.497 47.879 1.00 0.00 C ATOM 233 O ILE A 16 -20.303 7.443 49.108 1.00 0.00 O ATOM 234 CB ILE A 16 -18.584 8.284 46.312 1.00 0.00 C ATOM 235 CG1 ILE A 16 -17.422 7.842 45.416 1.00 0.00 C ATOM 236 CG2 ILE A 16 -18.059 9.252 47.375 1.00 0.00 C ATOM 237 CD1 ILE A 16 -16.407 7.045 46.240 1.00 0.00 C ATOM 0 H ILE A 16 -19.585 6.436 44.973 1.00 0.00 H new ATOM 0 HA ILE A 16 -18.467 6.554 47.600 1.00 0.00 H new ATOM 0 HB ILE A 16 -19.342 8.784 45.710 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -17.796 7.232 44.594 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -16.940 8.714 44.973 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -17.613 10.120 46.889 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -18.883 9.576 48.011 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -17.306 8.751 47.984 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -15.583 6.733 45.599 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -16.023 7.669 47.047 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -16.892 6.165 46.662 1.00 0.00 H new ATOM 249 N GLY A 17 -21.471 7.921 47.285 1.00 0.00 N ATOM 250 CA GLY A 17 -22.656 8.354 48.095 1.00 0.00 C ATOM 251 C GLY A 17 -23.163 7.180 48.937 1.00 0.00 C ATOM 252 O GLY A 17 -23.328 7.293 50.148 1.00 0.00 O ATOM 0 H GLY A 17 -21.591 7.987 46.274 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -22.381 9.187 48.743 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -23.448 8.710 47.436 1.00 0.00 H new ATOM 256 N ILE A 18 -23.399 6.053 48.320 1.00 0.00 N ATOM 257 CA ILE A 18 -23.886 4.854 49.075 1.00 0.00 C ATOM 258 C ILE A 18 -22.881 4.504 50.183 1.00 0.00 C ATOM 259 O ILE A 18 -23.258 4.296 51.337 1.00 0.00 O ATOM 260 CB ILE A 18 -24.033 3.668 48.106 1.00 0.00 C ATOM 261 CG1 ILE A 18 -25.054 4.010 47.015 1.00 0.00 C ATOM 262 CG2 ILE A 18 -24.512 2.425 48.862 1.00 0.00 C ATOM 263 CD1 ILE A 18 -26.410 4.332 47.649 1.00 0.00 C ATOM 0 H ILE A 18 -23.275 5.907 47.318 1.00 0.00 H new ATOM 0 HA ILE A 18 -24.854 5.071 49.527 1.00 0.00 H new ATOM 0 HB ILE A 18 -23.062 3.467 47.653 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -24.704 4.862 46.432 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -25.156 3.172 46.325 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -24.612 1.592 48.166 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -23.787 2.167 49.634 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -25.478 2.630 49.324 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -27.129 4.574 46.867 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -26.763 3.468 48.212 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -26.304 5.184 48.321 1.00 0.00 H new ATOM 275 N LYS A 19 -21.611 4.449 49.859 1.00 0.00 N ATOM 276 CA LYS A 19 -20.573 4.125 50.892 1.00 0.00 C ATOM 277 C LYS A 19 -20.751 5.028 52.121 1.00 0.00 C ATOM 278 O LYS A 19 -20.596 4.592 53.259 1.00 0.00 O ATOM 279 CB LYS A 19 -19.182 4.350 50.295 1.00 0.00 C ATOM 280 CG LYS A 19 -18.190 3.365 50.921 1.00 0.00 C ATOM 281 CD LYS A 19 -17.022 3.145 49.957 1.00 0.00 C ATOM 282 CE LYS A 19 -17.410 2.095 48.918 1.00 0.00 C ATOM 283 NZ LYS A 19 -16.777 2.443 47.617 1.00 0.00 N ATOM 0 H LYS A 19 -21.246 4.615 48.921 1.00 0.00 H new ATOM 0 HA LYS A 19 -20.683 3.084 51.197 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.213 4.214 49.214 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -18.858 5.374 50.478 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.824 3.754 51.871 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -18.685 2.417 51.133 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -16.762 4.082 49.464 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -16.139 2.819 50.507 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.085 1.106 49.242 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.494 2.055 48.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.819 1.622 46.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.285 3.242 47.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.784 2.709 47.774 1.00 0.00 H new ATOM 297 N ARG A 20 -21.072 6.277 51.911 1.00 0.00 N ATOM 298 CA ARG A 20 -21.265 7.211 53.065 1.00 0.00 C ATOM 299 C ARG A 20 -22.767 7.365 53.382 1.00 0.00 C ATOM 300 O ARG A 20 -23.193 8.372 53.949 1.00 0.00 O ATOM 301 CB ARG A 20 -20.671 8.580 52.706 1.00 0.00 C ATOM 302 CG ARG A 20 -19.151 8.465 52.552 1.00 0.00 C ATOM 303 CD ARG A 20 -18.496 8.467 53.934 1.00 0.00 C ATOM 304 NE ARG A 20 -17.093 8.971 53.809 1.00 0.00 N ATOM 305 CZ ARG A 20 -16.619 9.807 54.676 1.00 0.00 C ATOM 306 NH1 ARG A 20 -16.900 11.063 54.577 1.00 0.00 N ATOM 307 NH2 ARG A 20 -15.867 9.381 55.633 1.00 0.00 N ATOM 0 H ARG A 20 -21.210 6.694 50.990 1.00 0.00 H new ATOM 0 HA ARG A 20 -20.762 6.807 53.943 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -21.112 8.946 51.779 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -20.913 9.306 53.482 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -18.897 7.549 52.019 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -18.771 9.295 51.957 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -19.063 9.098 54.618 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -18.498 7.461 54.353 1.00 0.00 H new ATOM 0 HE ARG A 20 -16.507 8.654 53.037 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -17.494 11.394 53.817 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -16.528 11.724 55.259 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.647 8.388 55.705 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.492 10.037 56.318 1.00 0.00 H new ATOM 321 N ASN A 21 -23.576 6.390 53.027 1.00 0.00 N ATOM 322 CA ASN A 21 -25.051 6.470 53.297 1.00 0.00 C ATOM 323 C ASN A 21 -25.627 7.794 52.755 1.00 0.00 C ATOM 324 O ASN A 21 -26.565 8.361 53.315 1.00 0.00 O ATOM 325 CB ASN A 21 -25.299 6.367 54.808 1.00 0.00 C ATOM 326 CG ASN A 21 -25.330 4.898 55.226 1.00 0.00 C ATOM 327 OD1 ASN A 21 -24.585 4.482 56.102 1.00 0.00 O ATOM 328 ND2 ASN A 21 -26.158 4.080 54.649 1.00 0.00 N ATOM 0 H ASN A 21 -23.274 5.536 52.558 1.00 0.00 H new ATOM 0 HA ASN A 21 -25.551 5.645 52.790 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -24.514 6.893 55.352 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -26.243 6.848 55.065 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -26.183 3.099 54.928 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -26.783 4.419 53.917 1.00 0.00 H new ATOM 335 N MET A 22 -25.091 8.288 51.670 1.00 0.00 N ATOM 336 CA MET A 22 -25.599 9.564 51.085 1.00 0.00 C ATOM 337 C MET A 22 -26.471 9.257 49.860 1.00 0.00 C ATOM 338 O MET A 22 -26.015 8.658 48.886 1.00 0.00 O ATOM 339 CB MET A 22 -24.407 10.430 50.661 1.00 0.00 C ATOM 340 CG MET A 22 -23.666 10.936 51.903 1.00 0.00 C ATOM 341 SD MET A 22 -22.576 12.305 51.439 1.00 0.00 S ATOM 342 CE MET A 22 -21.436 11.355 50.400 1.00 0.00 C ATOM 0 H MET A 22 -24.318 7.859 51.161 1.00 0.00 H new ATOM 0 HA MET A 22 -26.196 10.096 51.826 1.00 0.00 H new ATOM 0 HB2 MET A 22 -23.730 9.851 50.033 1.00 0.00 H new ATOM 0 HB3 MET A 22 -24.753 11.274 50.064 1.00 0.00 H new ATOM 0 HG2 MET A 22 -24.381 11.266 52.657 1.00 0.00 H new ATOM 0 HG3 MET A 22 -23.084 10.128 52.347 1.00 0.00 H new ATOM 0 HE1 MET A 22 -20.411 11.540 50.722 1.00 0.00 H new ATOM 0 HE2 MET A 22 -21.659 10.292 50.492 1.00 0.00 H new ATOM 0 HE3 MET A 22 -21.551 11.661 49.360 1.00 0.00 H new ATOM 352 N THR A 23 -27.717 9.651 49.889 1.00 0.00 N ATOM 353 CA THR A 23 -28.625 9.381 48.729 1.00 0.00 C ATOM 354 C THR A 23 -28.114 10.117 47.487 1.00 0.00 C ATOM 355 O THR A 23 -27.913 11.331 47.505 1.00 0.00 O ATOM 356 CB THR A 23 -30.044 9.867 49.058 1.00 0.00 C ATOM 357 OG1 THR A 23 -30.104 10.261 50.422 1.00 0.00 O ATOM 358 CG2 THR A 23 -31.039 8.735 48.820 1.00 0.00 C ATOM 0 H THR A 23 -28.149 10.150 50.667 1.00 0.00 H new ATOM 0 HA THR A 23 -28.642 8.309 48.534 1.00 0.00 H new ATOM 0 HB THR A 23 -30.293 10.714 48.419 1.00 0.00 H new ATOM 0 HG1 THR A 23 -31.009 10.573 50.633 1.00 0.00 H new ATOM 0 HG21 THR A 23 -32.046 9.081 49.054 1.00 0.00 H new ATOM 0 HG22 THR A 23 -30.995 8.425 47.776 1.00 0.00 H new ATOM 0 HG23 THR A 23 -30.788 7.889 49.460 1.00 0.00 H new ATOM 366 N VAL A 24 -27.900 9.408 46.410 1.00 0.00 N ATOM 367 CA VAL A 24 -27.403 10.064 45.159 1.00 0.00 C ATOM 368 C VAL A 24 -28.549 10.148 44.142 1.00 0.00 C ATOM 369 O VAL A 24 -29.102 9.130 43.716 1.00 0.00 O ATOM 370 CB VAL A 24 -26.245 9.248 44.569 1.00 0.00 C ATOM 371 CG1 VAL A 24 -25.658 9.986 43.366 1.00 0.00 C ATOM 372 CG2 VAL A 24 -25.151 9.072 45.623 1.00 0.00 C ATOM 0 H VAL A 24 -28.047 8.401 46.340 1.00 0.00 H new ATOM 0 HA VAL A 24 -27.047 11.068 45.391 1.00 0.00 H new ATOM 0 HB VAL A 24 -26.619 8.272 44.258 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -24.836 9.405 42.948 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -26.430 10.119 42.608 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -25.289 10.962 43.682 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -24.330 8.492 45.202 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -24.783 10.050 45.933 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -25.559 8.548 46.487 1.00 0.00 H new ATOM 382 N HIS A 25 -28.926 11.335 43.749 1.00 0.00 N ATOM 383 CA HIS A 25 -30.046 11.479 42.767 1.00 0.00 C ATOM 384 C HIS A 25 -29.630 12.403 41.613 1.00 0.00 C ATOM 385 O HIS A 25 -29.197 13.535 41.825 1.00 0.00 O ATOM 386 CB HIS A 25 -31.272 12.065 43.478 1.00 0.00 C ATOM 387 CG HIS A 25 -31.697 11.161 44.607 1.00 0.00 C ATOM 388 ND1 HIS A 25 -31.706 9.782 44.490 1.00 0.00 N ATOM 389 CD2 HIS A 25 -32.141 11.430 45.878 1.00 0.00 C ATOM 390 CE1 HIS A 25 -32.147 9.277 45.658 1.00 0.00 C ATOM 391 NE2 HIS A 25 -32.426 10.240 46.538 1.00 0.00 N ATOM 0 H HIS A 25 -28.509 12.211 44.063 1.00 0.00 H new ATOM 0 HA HIS A 25 -30.289 10.498 42.360 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -31.038 13.057 43.864 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -32.091 12.184 42.769 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -31.429 9.245 43.668 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -32.252 12.417 46.301 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -32.261 8.222 45.858 1.00 0.00 H new ATOM 399 N PHE A 26 -29.768 11.943 40.396 1.00 0.00 N ATOM 400 CA PHE A 26 -29.398 12.787 39.215 1.00 0.00 C ATOM 401 C PHE A 26 -30.670 13.375 38.585 1.00 0.00 C ATOM 402 O PHE A 26 -31.724 12.738 38.572 1.00 0.00 O ATOM 403 CB PHE A 26 -28.671 11.920 38.181 1.00 0.00 C ATOM 404 CG PHE A 26 -27.199 11.860 38.512 1.00 0.00 C ATOM 405 CD1 PHE A 26 -26.725 10.914 39.427 1.00 0.00 C ATOM 406 CD2 PHE A 26 -26.308 12.750 37.901 1.00 0.00 C ATOM 407 CE1 PHE A 26 -25.361 10.858 39.733 1.00 0.00 C ATOM 408 CE2 PHE A 26 -24.943 12.694 38.207 1.00 0.00 C ATOM 409 CZ PHE A 26 -24.469 11.747 39.122 1.00 0.00 C ATOM 0 H PHE A 26 -30.123 11.015 40.166 1.00 0.00 H new ATOM 0 HA PHE A 26 -28.745 13.598 39.537 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -29.093 10.915 38.173 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -28.812 12.333 37.182 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -27.412 10.227 39.897 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -26.673 13.480 37.194 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -24.996 10.129 40.441 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -24.256 13.382 37.737 1.00 0.00 H new ATOM 0 HZ PHE A 26 -23.416 11.702 39.357 1.00 0.00 H new ATOM 419 N LYS A 27 -30.597 14.573 38.065 1.00 0.00 N ATOM 420 CA LYS A 27 -31.805 15.196 37.440 1.00 0.00 C ATOM 421 C LYS A 27 -31.384 16.253 36.405 1.00 0.00 C ATOM 422 O LYS A 27 -30.653 17.193 36.712 1.00 0.00 O ATOM 423 CB LYS A 27 -32.651 15.861 38.533 1.00 0.00 C ATOM 424 CG LYS A 27 -33.723 14.883 39.020 1.00 0.00 C ATOM 425 CD LYS A 27 -34.794 15.646 39.804 1.00 0.00 C ATOM 426 CE LYS A 27 -35.951 14.705 40.141 1.00 0.00 C ATOM 427 NZ LYS A 27 -36.954 15.436 40.973 1.00 0.00 N ATOM 0 H LYS A 27 -29.754 15.147 38.045 1.00 0.00 H new ATOM 0 HA LYS A 27 -32.386 14.423 36.938 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -32.015 16.163 39.365 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -33.119 16.765 38.145 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -34.175 14.370 38.171 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -33.272 14.117 39.651 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -34.367 16.055 40.719 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -35.157 16.489 39.217 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -36.417 14.340 39.226 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -35.581 13.833 40.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -37.743 14.799 41.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -36.504 15.763 41.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -37.314 16.255 40.443 1.00 0.00 H new ATOM 441 N VAL A 28 -31.843 16.125 35.187 1.00 0.00 N ATOM 442 CA VAL A 28 -31.483 17.132 34.139 1.00 0.00 C ATOM 443 C VAL A 28 -32.286 18.419 34.384 1.00 0.00 C ATOM 444 O VAL A 28 -33.410 18.379 34.883 1.00 0.00 O ATOM 445 CB VAL A 28 -31.813 16.566 32.749 1.00 0.00 C ATOM 446 CG1 VAL A 28 -31.578 17.635 31.680 1.00 0.00 C ATOM 447 CG2 VAL A 28 -30.907 15.370 32.453 1.00 0.00 C ATOM 0 H VAL A 28 -32.451 15.369 34.871 1.00 0.00 H new ATOM 0 HA VAL A 28 -30.417 17.354 34.188 1.00 0.00 H new ATOM 0 HB VAL A 28 -32.858 16.256 32.736 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -31.814 17.226 30.698 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -32.218 18.495 31.878 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -30.534 17.947 31.701 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -31.143 14.970 31.467 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -29.865 15.689 32.476 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -31.067 14.598 33.205 1.00 0.00 H new ATOM 457 N LEU A 29 -31.732 19.557 34.055 1.00 0.00 N ATOM 458 CA LEU A 29 -32.471 20.844 34.279 1.00 0.00 C ATOM 459 C LEU A 29 -33.167 21.271 32.984 1.00 0.00 C ATOM 460 O LEU A 29 -34.314 21.719 32.995 1.00 0.00 O ATOM 461 CB LEU A 29 -31.493 21.943 34.725 1.00 0.00 C ATOM 462 CG LEU A 29 -30.414 21.348 35.631 1.00 0.00 C ATOM 463 CD1 LEU A 29 -29.521 22.464 36.165 1.00 0.00 C ATOM 464 CD2 LEU A 29 -31.070 20.631 36.812 1.00 0.00 C ATOM 0 H LEU A 29 -30.804 19.655 33.643 1.00 0.00 H new ATOM 0 HA LEU A 29 -33.217 20.693 35.059 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -31.032 22.407 33.853 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -32.032 22.728 35.255 1.00 0.00 H new ATOM 0 HG LEU A 29 -29.817 20.640 35.056 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -28.753 22.038 36.810 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -29.048 22.982 35.331 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -30.124 23.170 36.736 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -30.298 20.208 37.455 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -31.669 21.342 37.382 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -31.711 19.831 36.441 1.00 0.00 H new ATOM 476 N ARG A 30 -32.494 21.140 31.872 1.00 0.00 N ATOM 477 CA ARG A 30 -33.113 21.530 30.565 1.00 0.00 C ATOM 478 C ARG A 30 -32.170 21.197 29.400 1.00 0.00 C ATOM 479 O ARG A 30 -30.943 21.218 29.535 1.00 0.00 O ATOM 480 CB ARG A 30 -33.417 23.033 30.568 1.00 0.00 C ATOM 481 CG ARG A 30 -34.910 23.248 30.309 1.00 0.00 C ATOM 482 CD ARG A 30 -35.196 24.742 30.148 1.00 0.00 C ATOM 483 NE ARG A 30 -36.240 25.149 31.140 1.00 0.00 N ATOM 484 CZ ARG A 30 -36.492 26.398 31.349 1.00 0.00 C ATOM 485 NH1 ARG A 30 -35.722 27.085 32.122 1.00 0.00 N ATOM 486 NH2 ARG A 30 -37.512 26.951 30.787 1.00 0.00 N ATOM 0 H ARG A 30 -31.542 20.780 31.809 1.00 0.00 H new ATOM 0 HA ARG A 30 -34.038 20.969 30.436 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -33.136 23.471 31.526 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -32.827 23.536 29.802 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -35.214 22.711 29.411 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -35.494 22.843 31.135 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -34.284 25.319 30.303 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -35.537 24.953 29.135 1.00 0.00 H new ATOM 0 HE ARG A 30 -36.756 24.435 31.654 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -34.918 26.642 32.566 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -35.917 28.072 32.290 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -38.119 26.402 30.178 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -37.712 27.938 30.951 1.00 0.00 H new ATOM 631 N PHE A 40 -26.794 20.908 27.408 1.00 0.00 N ATOM 632 CA PHE A 40 -27.579 19.956 28.260 1.00 0.00 C ATOM 633 C PHE A 40 -27.157 20.120 29.732 1.00 0.00 C ATOM 634 O PHE A 40 -26.172 19.530 30.180 1.00 0.00 O ATOM 635 CB PHE A 40 -27.298 18.517 27.796 1.00 0.00 C ATOM 636 CG PHE A 40 -28.275 18.126 26.710 1.00 0.00 C ATOM 637 CD1 PHE A 40 -28.141 18.656 25.422 1.00 0.00 C ATOM 638 CD2 PHE A 40 -29.312 17.229 26.990 1.00 0.00 C ATOM 639 CE1 PHE A 40 -29.045 18.293 24.416 1.00 0.00 C ATOM 640 CE2 PHE A 40 -30.216 16.865 25.985 1.00 0.00 C ATOM 641 CZ PHE A 40 -30.082 17.397 24.698 1.00 0.00 C ATOM 0 HA PHE A 40 -28.644 20.167 28.167 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -26.277 18.439 27.424 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -27.384 17.831 28.639 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -27.339 19.346 25.203 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -29.415 16.817 27.983 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -28.942 18.705 23.423 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -31.017 16.174 26.203 1.00 0.00 H new ATOM 0 HZ PHE A 40 -30.779 17.116 23.922 1.00 0.00 H new ATOM 651 N ILE A 41 -27.868 20.913 30.493 1.00 0.00 N ATOM 652 CA ILE A 41 -27.490 21.115 31.935 1.00 0.00 C ATOM 653 C ILE A 41 -28.025 19.955 32.795 1.00 0.00 C ATOM 654 O ILE A 41 -29.237 19.767 32.933 1.00 0.00 O ATOM 655 CB ILE A 41 -28.077 22.437 32.458 1.00 0.00 C ATOM 656 CG1 ILE A 41 -27.789 23.578 31.477 1.00 0.00 C ATOM 657 CG2 ILE A 41 -27.439 22.779 33.805 1.00 0.00 C ATOM 658 CD1 ILE A 41 -28.674 24.778 31.826 1.00 0.00 C ATOM 0 H ILE A 41 -28.692 21.430 30.185 1.00 0.00 H new ATOM 0 HA ILE A 41 -26.402 21.146 32.002 1.00 0.00 H new ATOM 0 HB ILE A 41 -29.155 22.318 32.567 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -26.737 23.860 31.527 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -27.983 23.253 30.455 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -27.854 23.716 34.177 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -27.646 21.982 34.519 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -26.361 22.884 33.681 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -28.473 25.593 31.131 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -29.723 24.490 31.754 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -28.457 25.107 32.842 1.00 0.00 H new ATOM 670 N THR A 42 -27.148 19.183 33.385 1.00 0.00 N ATOM 671 CA THR A 42 -27.602 18.039 34.245 1.00 0.00 C ATOM 672 C THR A 42 -27.237 18.312 35.708 1.00 0.00 C ATOM 673 O THR A 42 -26.099 18.648 36.026 1.00 0.00 O ATOM 674 CB THR A 42 -26.920 16.743 33.786 1.00 0.00 C ATOM 675 OG1 THR A 42 -27.196 16.526 32.411 1.00 0.00 O ATOM 676 CG2 THR A 42 -27.454 15.559 34.593 1.00 0.00 C ATOM 0 H THR A 42 -26.137 19.292 33.311 1.00 0.00 H new ATOM 0 HA THR A 42 -28.683 17.934 34.154 1.00 0.00 H new ATOM 0 HB THR A 42 -25.845 16.833 33.941 1.00 0.00 H new ATOM 0 HG1 THR A 42 -26.760 15.700 32.116 1.00 0.00 H new ATOM 0 HG21 THR A 42 -26.965 14.643 34.262 1.00 0.00 H new ATOM 0 HG22 THR A 42 -27.248 15.718 35.652 1.00 0.00 H new ATOM 0 HG23 THR A 42 -28.530 15.471 34.442 1.00 0.00 H new ATOM 684 N ALA A 43 -28.176 18.171 36.606 1.00 0.00 N ATOM 685 CA ALA A 43 -27.884 18.420 38.050 1.00 0.00 C ATOM 686 C ALA A 43 -27.882 17.092 38.827 1.00 0.00 C ATOM 687 O ALA A 43 -28.329 16.058 38.327 1.00 0.00 O ATOM 688 CB ALA A 43 -28.953 19.354 38.623 1.00 0.00 C ATOM 0 H ALA A 43 -29.136 17.893 36.402 1.00 0.00 H new ATOM 0 HA ALA A 43 -26.901 18.882 38.146 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -28.746 19.540 39.677 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -28.941 20.298 38.078 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -29.934 18.889 38.522 1.00 0.00 H new ATOM 694 N CYS A 44 -27.377 17.101 40.034 1.00 0.00 N ATOM 695 CA CYS A 44 -27.335 15.845 40.846 1.00 0.00 C ATOM 696 C CYS A 44 -27.190 16.179 42.340 1.00 0.00 C ATOM 697 O CYS A 44 -26.630 17.212 42.717 1.00 0.00 O ATOM 698 CB CYS A 44 -26.135 15.005 40.398 1.00 0.00 C ATOM 699 SG CYS A 44 -25.930 13.586 41.504 1.00 0.00 S ATOM 0 H CYS A 44 -26.991 17.925 40.494 1.00 0.00 H new ATOM 0 HA CYS A 44 -28.262 15.291 40.697 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -26.282 14.661 39.374 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -25.231 15.614 40.402 1.00 0.00 H new ATOM 0 HG CYS A 44 -25.353 12.614 40.861 1.00 0.00 H new ATOM 705 N ILE A 45 -27.673 15.318 43.198 1.00 0.00 N ATOM 706 CA ILE A 45 -27.555 15.562 44.669 1.00 0.00 C ATOM 707 C ILE A 45 -26.963 14.316 45.348 1.00 0.00 C ATOM 708 O ILE A 45 -27.266 13.180 44.974 1.00 0.00 O ATOM 709 CB ILE A 45 -28.942 15.880 45.257 1.00 0.00 C ATOM 710 CG1 ILE A 45 -28.774 16.629 46.581 1.00 0.00 C ATOM 711 CG2 ILE A 45 -29.722 14.586 45.513 1.00 0.00 C ATOM 712 CD1 ILE A 45 -30.103 17.275 46.974 1.00 0.00 C ATOM 0 H ILE A 45 -28.147 14.452 42.943 1.00 0.00 H new ATOM 0 HA ILE A 45 -26.896 16.412 44.846 1.00 0.00 H new ATOM 0 HB ILE A 45 -29.492 16.495 44.545 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -28.447 15.941 47.361 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -28.001 17.392 46.484 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -30.700 14.827 45.929 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -29.849 14.046 44.575 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -29.172 13.963 46.218 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -29.983 17.808 47.917 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -30.411 17.975 46.197 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -30.863 16.502 47.088 1.00 0.00 H new ATOM 724 N VAL A 46 -26.122 14.503 46.334 1.00 0.00 N ATOM 725 CA VAL A 46 -25.506 13.333 47.039 1.00 0.00 C ATOM 726 C VAL A 46 -25.570 13.544 48.560 1.00 0.00 C ATOM 727 O VAL A 46 -24.823 14.340 49.132 1.00 0.00 O ATOM 728 CB VAL A 46 -24.041 13.160 46.598 1.00 0.00 C ATOM 729 CG1 VAL A 46 -23.998 12.693 45.143 1.00 0.00 C ATOM 730 CG2 VAL A 46 -23.288 14.490 46.717 1.00 0.00 C ATOM 0 H VAL A 46 -25.834 15.417 46.683 1.00 0.00 H new ATOM 0 HA VAL A 46 -26.063 12.433 46.779 1.00 0.00 H new ATOM 0 HB VAL A 46 -23.567 12.420 47.243 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -22.961 12.571 44.831 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -24.520 11.740 45.051 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -24.483 13.435 44.508 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -22.254 14.352 46.402 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -23.765 15.236 46.081 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -23.309 14.829 47.753 1.00 0.00 H new ATOM 740 N GLY A 47 -26.455 12.847 49.228 1.00 0.00 N ATOM 741 CA GLY A 47 -26.580 12.997 50.716 1.00 0.00 C ATOM 742 C GLY A 47 -27.090 14.398 51.066 1.00 0.00 C ATOM 743 O GLY A 47 -28.292 14.634 51.149 1.00 0.00 O ATOM 0 H GLY A 47 -27.100 12.178 48.808 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -27.264 12.245 51.108 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -25.613 12.826 51.189 1.00 0.00 H new ATOM 747 N SER A 48 -26.199 15.330 51.276 1.00 0.00 N ATOM 748 CA SER A 48 -26.629 16.723 51.625 1.00 0.00 C ATOM 749 C SER A 48 -25.908 17.748 50.732 1.00 0.00 C ATOM 750 O SER A 48 -25.766 18.916 51.096 1.00 0.00 O ATOM 751 CB SER A 48 -26.293 17.003 53.092 1.00 0.00 C ATOM 752 OG SER A 48 -24.887 17.189 53.226 1.00 0.00 O ATOM 0 H SER A 48 -25.190 15.190 51.222 1.00 0.00 H new ATOM 0 HA SER A 48 -27.704 16.811 51.465 1.00 0.00 H new ATOM 0 HB2 SER A 48 -26.823 17.891 53.435 1.00 0.00 H new ATOM 0 HB3 SER A 48 -26.623 16.173 53.717 1.00 0.00 H new ATOM 0 HG SER A 48 -24.669 17.370 54.164 1.00 0.00 H new ATOM 758 N ILE A 49 -25.452 17.343 49.572 1.00 0.00 N ATOM 759 CA ILE A 49 -24.742 18.299 48.664 1.00 0.00 C ATOM 760 C ILE A 49 -25.342 18.220 47.251 1.00 0.00 C ATOM 761 O ILE A 49 -25.605 17.137 46.730 1.00 0.00 O ATOM 762 CB ILE A 49 -23.251 17.937 48.611 1.00 0.00 C ATOM 763 CG1 ILE A 49 -22.625 18.129 49.995 1.00 0.00 C ATOM 764 CG2 ILE A 49 -22.533 18.846 47.613 1.00 0.00 C ATOM 765 CD1 ILE A 49 -22.388 16.764 50.643 1.00 0.00 C ATOM 0 H ILE A 49 -25.540 16.392 49.214 1.00 0.00 H new ATOM 0 HA ILE A 49 -24.859 19.314 49.045 1.00 0.00 H new ATOM 0 HB ILE A 49 -23.150 16.897 48.300 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -21.683 18.670 49.908 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -23.282 18.732 50.622 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -21.475 18.585 47.579 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -22.971 18.717 46.623 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -22.641 19.885 47.924 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -21.942 16.901 51.628 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -23.338 16.240 50.744 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -21.714 16.177 50.019 1.00 0.00 H new ATOM 777 N VAL A 50 -25.557 19.345 46.620 1.00 0.00 N ATOM 778 CA VAL A 50 -26.135 19.341 45.235 1.00 0.00 C ATOM 779 C VAL A 50 -25.128 19.962 44.258 1.00 0.00 C ATOM 780 O VAL A 50 -24.416 20.905 44.595 1.00 0.00 O ATOM 781 CB VAL A 50 -27.437 20.157 45.194 1.00 0.00 C ATOM 782 CG1 VAL A 50 -28.423 19.496 44.231 1.00 0.00 C ATOM 783 CG2 VAL A 50 -28.076 20.223 46.584 1.00 0.00 C ATOM 0 H VAL A 50 -25.358 20.270 47.001 1.00 0.00 H new ATOM 0 HA VAL A 50 -26.348 18.311 44.950 1.00 0.00 H new ATOM 0 HB VAL A 50 -27.201 21.167 44.860 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -29.346 20.074 44.202 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -27.987 19.458 43.233 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -28.640 18.483 44.571 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -28.996 20.805 46.534 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -28.303 19.214 46.928 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -27.384 20.697 47.280 1.00 0.00 H new ATOM 793 N THR A 51 -25.058 19.450 43.058 1.00 0.00 N ATOM 794 CA THR A 51 -24.099 20.004 42.038 1.00 0.00 C ATOM 795 C THR A 51 -24.589 19.638 40.633 1.00 0.00 C ATOM 796 O THR A 51 -25.128 18.553 40.415 1.00 0.00 O ATOM 797 CB THR A 51 -22.697 19.399 42.230 1.00 0.00 C ATOM 798 OG1 THR A 51 -22.242 19.604 43.560 1.00 0.00 O ATOM 799 CG2 THR A 51 -21.715 20.068 41.271 1.00 0.00 C ATOM 0 H THR A 51 -25.624 18.667 42.732 1.00 0.00 H new ATOM 0 HA THR A 51 -24.050 21.086 42.162 1.00 0.00 H new ATOM 0 HB THR A 51 -22.754 18.329 42.029 1.00 0.00 H new ATOM 0 HG1 THR A 51 -21.264 19.671 43.565 1.00 0.00 H new ATOM 0 HG21 THR A 51 -20.723 19.638 41.408 1.00 0.00 H new ATOM 0 HG22 THR A 51 -22.042 19.906 40.244 1.00 0.00 H new ATOM 0 HG23 THR A 51 -21.679 21.138 41.475 1.00 0.00 H new ATOM 807 N GLU A 52 -24.415 20.506 39.676 1.00 0.00 N ATOM 808 CA GLU A 52 -24.871 20.187 38.288 1.00 0.00 C ATOM 809 C GLU A 52 -23.690 20.258 37.304 1.00 0.00 C ATOM 810 O GLU A 52 -22.534 20.429 37.693 1.00 0.00 O ATOM 811 CB GLU A 52 -25.965 21.180 37.869 1.00 0.00 C ATOM 812 CG GLU A 52 -25.396 22.605 37.840 1.00 0.00 C ATOM 813 CD GLU A 52 -25.808 23.348 39.107 1.00 0.00 C ATOM 814 OE1 GLU A 52 -25.081 23.259 40.082 1.00 0.00 O ATOM 815 OE2 GLU A 52 -26.844 23.988 39.081 1.00 0.00 O ATOM 0 H GLU A 52 -23.978 21.421 39.791 1.00 0.00 H new ATOM 0 HA GLU A 52 -25.273 19.174 38.270 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -26.352 20.914 36.885 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -26.802 21.128 38.566 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -24.309 22.572 37.763 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -25.761 23.135 36.961 1.00 0.00 H new ATOM 822 N GLY A 53 -23.965 20.112 36.033 1.00 0.00 N ATOM 823 CA GLY A 53 -22.878 20.159 35.007 1.00 0.00 C ATOM 824 C GLY A 53 -23.436 20.695 33.686 1.00 0.00 C ATOM 825 O GLY A 53 -24.316 20.087 33.072 1.00 0.00 O ATOM 0 H GLY A 53 -24.902 19.961 35.659 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -22.065 20.796 35.354 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -22.461 19.163 34.859 1.00 0.00 H new ATOM 829 N GLU A 54 -22.946 21.818 33.233 1.00 0.00 N ATOM 830 CA GLU A 54 -23.451 22.394 31.943 1.00 0.00 C ATOM 831 C GLU A 54 -22.793 21.657 30.765 1.00 0.00 C ATOM 832 O GLU A 54 -21.907 22.181 30.085 1.00 0.00 O ATOM 833 CB GLU A 54 -23.133 23.903 31.853 1.00 0.00 C ATOM 834 CG GLU A 54 -22.972 24.521 33.253 1.00 0.00 C ATOM 835 CD GLU A 54 -21.506 24.465 33.674 1.00 0.00 C ATOM 836 OE1 GLU A 54 -20.722 25.237 33.140 1.00 0.00 O ATOM 837 OE2 GLU A 54 -21.188 23.634 34.509 1.00 0.00 O ATOM 0 H GLU A 54 -22.219 22.364 33.696 1.00 0.00 H new ATOM 0 HA GLU A 54 -24.533 22.267 31.904 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -22.218 24.051 31.280 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -23.932 24.415 31.316 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -23.320 25.554 33.247 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -23.588 23.981 33.972 1.00 0.00 H new ATOM 844 N GLY A 55 -23.194 20.437 30.519 1.00 0.00 N ATOM 845 CA GLY A 55 -22.587 19.654 29.393 1.00 0.00 C ATOM 846 C GLY A 55 -23.096 20.156 28.037 1.00 0.00 C ATOM 847 O GLY A 55 -23.989 21.001 27.953 1.00 0.00 O ATOM 0 H GLY A 55 -23.915 19.946 31.047 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -21.501 19.738 29.431 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -22.829 18.598 29.508 1.00 0.00 H new ATOM 943 N LYS A 62 -23.572 14.710 31.728 1.00 0.00 N ATOM 944 CA LYS A 62 -23.597 13.699 32.834 1.00 0.00 C ATOM 945 C LYS A 62 -22.181 13.472 33.391 1.00 0.00 C ATOM 946 O LYS A 62 -21.998 13.275 34.591 1.00 0.00 O ATOM 947 CB LYS A 62 -24.167 12.379 32.300 1.00 0.00 C ATOM 948 CG LYS A 62 -25.645 12.277 32.683 1.00 0.00 C ATOM 949 CD LYS A 62 -26.093 10.814 32.610 1.00 0.00 C ATOM 950 CE LYS A 62 -26.975 10.605 31.378 1.00 0.00 C ATOM 951 NZ LYS A 62 -27.496 9.204 31.381 1.00 0.00 N ATOM 0 HA LYS A 62 -24.228 14.071 33.642 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -24.056 12.333 31.217 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -23.613 11.536 32.713 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -25.798 12.665 33.690 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -26.249 12.887 32.011 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -25.223 10.159 32.561 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -26.643 10.547 33.512 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -27.803 11.314 31.384 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -26.402 10.791 30.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -28.097 9.055 30.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -26.698 8.537 31.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -28.056 9.044 32.243 1.00 0.00 H new ATOM 965 N LYS A 63 -21.182 13.499 32.546 1.00 0.00 N ATOM 966 CA LYS A 63 -19.779 13.287 33.026 1.00 0.00 C ATOM 967 C LYS A 63 -19.283 14.536 33.778 1.00 0.00 C ATOM 968 O LYS A 63 -19.007 14.479 34.970 1.00 0.00 O ATOM 969 CB LYS A 63 -18.869 13.003 31.823 1.00 0.00 C ATOM 970 CG LYS A 63 -17.602 12.283 32.298 1.00 0.00 C ATOM 971 CD LYS A 63 -16.663 12.049 31.108 1.00 0.00 C ATOM 972 CE LYS A 63 -15.435 12.956 31.235 1.00 0.00 C ATOM 973 NZ LYS A 63 -14.497 12.384 32.247 1.00 0.00 N ATOM 0 H LYS A 63 -21.276 13.659 31.543 1.00 0.00 H new ATOM 0 HA LYS A 63 -19.755 12.437 33.708 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -19.396 12.390 31.092 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -18.605 13.936 31.325 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -17.098 12.878 33.060 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -17.864 11.331 32.759 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.354 11.004 31.076 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -17.185 12.256 30.174 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.935 13.047 30.271 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -15.740 13.960 31.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.995 13.156 32.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.034 11.830 32.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.808 11.767 31.772 1.00 0.00 H new ATOM 987 N ARG A 64 -19.172 15.655 33.104 1.00 0.00 N ATOM 988 CA ARG A 64 -18.694 16.913 33.769 1.00 0.00 C ATOM 989 C ARG A 64 -19.512 17.196 35.039 1.00 0.00 C ATOM 990 O ARG A 64 -18.965 17.612 36.063 1.00 0.00 O ATOM 991 CB ARG A 64 -18.834 18.086 32.790 1.00 0.00 C ATOM 992 CG ARG A 64 -17.883 19.215 33.199 1.00 0.00 C ATOM 993 CD ARG A 64 -18.124 20.440 32.313 1.00 0.00 C ATOM 994 NE ARG A 64 -19.112 21.337 32.985 1.00 0.00 N ATOM 995 CZ ARG A 64 -19.220 22.578 32.645 1.00 0.00 C ATOM 996 NH1 ARG A 64 -19.871 22.906 31.586 1.00 0.00 N ATOM 997 NH2 ARG A 64 -18.684 23.488 33.373 1.00 0.00 N ATOM 0 H ARG A 64 -19.393 15.754 32.113 1.00 0.00 H new ATOM 0 HA ARG A 64 -17.649 16.790 34.052 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -18.607 17.756 31.776 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.862 18.447 32.785 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -18.041 19.475 34.246 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -16.849 18.884 33.105 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -17.188 20.971 32.142 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -18.498 20.131 31.337 1.00 0.00 H new ATOM 0 HE ARG A 64 -19.710 20.964 33.723 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -20.305 22.185 31.010 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -19.954 23.888 31.322 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -18.174 23.231 34.218 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -18.768 24.469 33.107 1.00 0.00 H new ATOM 1011 N ALA A 65 -20.805 16.974 35.001 1.00 0.00 N ATOM 1012 CA ALA A 65 -21.646 17.219 36.214 1.00 0.00 C ATOM 1013 C ALA A 65 -21.103 16.380 37.386 1.00 0.00 C ATOM 1014 O ALA A 65 -20.834 16.893 38.475 1.00 0.00 O ATOM 1015 CB ALA A 65 -23.093 16.812 35.919 1.00 0.00 C ATOM 0 H ALA A 65 -21.312 16.634 34.184 1.00 0.00 H new ATOM 0 HA ALA A 65 -21.613 18.276 36.477 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -23.708 16.989 36.801 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -23.474 17.403 35.086 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -23.128 15.754 35.659 1.00 0.00 H new ATOM 1021 N ALA A 66 -20.924 15.099 37.175 1.00 0.00 N ATOM 1022 CA ALA A 66 -20.388 14.220 38.257 1.00 0.00 C ATOM 1023 C ALA A 66 -18.910 14.554 38.513 1.00 0.00 C ATOM 1024 O ALA A 66 -18.461 14.590 39.658 1.00 0.00 O ATOM 1025 CB ALA A 66 -20.526 12.755 37.829 1.00 0.00 C ATOM 0 H ALA A 66 -21.127 14.624 36.296 1.00 0.00 H new ATOM 0 HA ALA A 66 -20.951 14.385 39.176 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -20.136 12.108 38.615 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -21.577 12.524 37.657 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -19.963 12.590 36.911 1.00 0.00 H new ATOM 1031 N GLU A 67 -18.149 14.808 37.476 1.00 0.00 N ATOM 1032 CA GLU A 67 -16.704 15.149 37.660 1.00 0.00 C ATOM 1033 C GLU A 67 -16.580 16.331 38.625 1.00 0.00 C ATOM 1034 O GLU A 67 -15.860 16.268 39.619 1.00 0.00 O ATOM 1035 CB GLU A 67 -16.084 15.515 36.305 1.00 0.00 C ATOM 1036 CG GLU A 67 -15.888 14.243 35.472 1.00 0.00 C ATOM 1037 CD GLU A 67 -15.334 14.596 34.095 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -16.063 15.169 33.307 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -14.191 14.254 33.834 1.00 0.00 O ATOM 0 H GLU A 67 -18.468 14.794 36.507 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.176 14.289 38.073 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.730 16.214 35.774 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.127 16.016 36.454 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.205 13.566 35.984 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.838 13.718 35.367 1.00 0.00 H new ATOM 1046 N LYS A 68 -17.286 17.397 38.364 1.00 0.00 N ATOM 1047 CA LYS A 68 -17.232 18.582 39.276 1.00 0.00 C ATOM 1048 C LYS A 68 -17.620 18.145 40.700 1.00 0.00 C ATOM 1049 O LYS A 68 -16.982 18.532 41.683 1.00 0.00 O ATOM 1050 CB LYS A 68 -18.204 19.657 38.755 1.00 0.00 C ATOM 1051 CG LYS A 68 -18.681 20.555 39.902 1.00 0.00 C ATOM 1052 CD LYS A 68 -17.602 21.591 40.215 1.00 0.00 C ATOM 1053 CE LYS A 68 -17.636 21.934 41.703 1.00 0.00 C ATOM 1054 NZ LYS A 68 -16.481 22.820 42.018 1.00 0.00 N ATOM 0 H LYS A 68 -17.901 17.502 37.557 1.00 0.00 H new ATOM 0 HA LYS A 68 -16.224 18.996 39.301 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -17.712 20.262 37.993 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -19.061 19.180 38.279 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -19.611 21.053 39.627 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.891 19.954 40.786 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.621 21.202 39.944 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -17.764 22.490 39.621 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -18.573 22.431 41.954 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -17.588 21.024 42.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.494 23.060 43.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.594 22.328 41.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.548 23.691 41.454 1.00 0.00 H new ATOM 1068 N MET A 69 -18.652 17.348 40.824 1.00 0.00 N ATOM 1069 CA MET A 69 -19.093 16.876 42.172 1.00 0.00 C ATOM 1070 C MET A 69 -17.986 16.030 42.828 1.00 0.00 C ATOM 1071 O MET A 69 -17.553 16.313 43.942 1.00 0.00 O ATOM 1072 CB MET A 69 -20.365 16.032 42.013 1.00 0.00 C ATOM 1073 CG MET A 69 -21.380 16.409 43.096 1.00 0.00 C ATOM 1074 SD MET A 69 -23.030 15.895 42.562 1.00 0.00 S ATOM 1075 CE MET A 69 -23.910 16.293 44.091 1.00 0.00 C ATOM 0 H MET A 69 -19.211 17.002 40.044 1.00 0.00 H new ATOM 0 HA MET A 69 -19.296 17.737 42.809 1.00 0.00 H new ATOM 0 HB2 MET A 69 -20.797 16.193 41.025 1.00 0.00 H new ATOM 0 HB3 MET A 69 -20.120 14.972 42.085 1.00 0.00 H new ATOM 0 HG2 MET A 69 -21.122 15.926 44.038 1.00 0.00 H new ATOM 0 HG3 MET A 69 -21.360 17.484 43.273 1.00 0.00 H new ATOM 0 HE1 MET A 69 -24.580 15.473 44.349 1.00 0.00 H new ATOM 0 HE2 MET A 69 -23.191 16.441 44.897 1.00 0.00 H new ATOM 0 HE3 MET A 69 -24.490 17.205 43.950 1.00 0.00 H new ATOM 1085 N LEU A 70 -17.523 14.999 42.164 1.00 0.00 N ATOM 1086 CA LEU A 70 -16.450 14.130 42.752 1.00 0.00 C ATOM 1087 C LEU A 70 -15.154 14.928 42.952 1.00 0.00 C ATOM 1088 O LEU A 70 -14.559 14.898 44.025 1.00 0.00 O ATOM 1089 CB LEU A 70 -16.166 12.950 41.815 1.00 0.00 C ATOM 1090 CG LEU A 70 -17.385 12.032 41.725 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -17.020 10.796 40.907 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -17.811 11.594 43.126 1.00 0.00 C ATOM 0 H LEU A 70 -17.842 14.719 41.236 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.798 13.765 43.718 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.908 13.320 40.823 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -15.306 12.388 42.179 1.00 0.00 H new ATOM 0 HG LEU A 70 -18.206 12.569 41.249 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -17.885 10.136 40.839 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.715 11.100 39.906 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -16.199 10.268 41.392 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -18.680 10.940 43.054 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -16.992 11.057 43.604 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -18.065 12.472 43.720 1.00 0.00 H new ATOM 1104 N VAL A 71 -14.702 15.627 41.941 1.00 0.00 N ATOM 1105 CA VAL A 71 -13.435 16.421 42.066 1.00 0.00 C ATOM 1106 C VAL A 71 -13.439 17.205 43.387 1.00 0.00 C ATOM 1107 O VAL A 71 -12.459 17.205 44.132 1.00 0.00 O ATOM 1108 CB VAL A 71 -13.321 17.390 40.878 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -12.254 18.448 41.165 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -12.916 16.616 39.622 1.00 0.00 C ATOM 0 H VAL A 71 -15.156 15.684 41.029 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.580 15.745 42.062 1.00 0.00 H new ATOM 0 HB VAL A 71 -14.286 17.873 40.726 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.181 19.130 40.318 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.528 19.008 42.059 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.292 17.961 41.323 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -12.836 17.304 38.781 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.954 16.131 39.788 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.670 15.860 39.402 1.00 0.00 H new ATOM 1120 N GLU A 72 -14.522 17.867 43.698 1.00 0.00 N ATOM 1121 CA GLU A 72 -14.576 18.640 44.974 1.00 0.00 C ATOM 1122 C GLU A 72 -14.923 17.712 46.145 1.00 0.00 C ATOM 1123 O GLU A 72 -14.285 17.765 47.192 1.00 0.00 O ATOM 1124 CB GLU A 72 -15.613 19.752 44.853 1.00 0.00 C ATOM 1125 CG GLU A 72 -15.070 20.830 43.909 1.00 0.00 C ATOM 1126 CD GLU A 72 -15.037 22.180 44.620 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -14.064 22.446 45.305 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -15.985 22.927 44.454 1.00 0.00 O ATOM 0 H GLU A 72 -15.367 17.906 43.128 1.00 0.00 H new ATOM 0 HA GLU A 72 -13.598 19.082 45.166 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -16.552 19.353 44.470 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -15.824 20.180 45.833 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.068 20.561 43.575 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.696 20.894 43.019 1.00 0.00 H new ATOM 1135 N LEU A 73 -15.905 16.857 45.994 1.00 0.00 N ATOM 1136 CA LEU A 73 -16.272 15.923 47.112 1.00 0.00 C ATOM 1137 C LEU A 73 -15.045 15.090 47.536 1.00 0.00 C ATOM 1138 O LEU A 73 -14.922 14.689 48.690 1.00 0.00 O ATOM 1139 CB LEU A 73 -17.403 14.993 46.657 1.00 0.00 C ATOM 1140 CG LEU A 73 -18.716 15.777 46.565 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -19.813 14.868 46.019 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -19.122 16.268 47.954 1.00 0.00 C ATOM 0 H LEU A 73 -16.469 16.763 45.149 1.00 0.00 H new ATOM 0 HA LEU A 73 -16.609 16.509 47.967 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -17.160 14.558 45.688 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -17.511 14.166 47.359 1.00 0.00 H new ATOM 0 HG LEU A 73 -18.577 16.631 45.901 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -20.748 15.425 45.953 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -19.531 14.513 45.028 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -19.945 14.016 46.686 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -20.056 16.825 47.884 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -19.258 15.413 48.617 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -18.342 16.916 48.353 1.00 0.00 H new ATOM 1154 N GLN A 74 -14.129 14.839 46.632 1.00 0.00 N ATOM 1155 CA GLN A 74 -12.902 14.059 46.992 1.00 0.00 C ATOM 1156 C GLN A 74 -11.821 15.019 47.526 1.00 0.00 C ATOM 1157 O GLN A 74 -10.803 14.593 48.069 1.00 0.00 O ATOM 1158 CB GLN A 74 -12.367 13.346 45.744 1.00 0.00 C ATOM 1159 CG GLN A 74 -13.209 12.097 45.456 1.00 0.00 C ATOM 1160 CD GLN A 74 -12.327 10.850 45.542 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -11.806 10.372 44.536 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -12.129 10.291 46.695 1.00 0.00 N ATOM 0 H GLN A 74 -14.178 15.141 45.659 1.00 0.00 H new ATOM 0 HA GLN A 74 -13.152 13.325 47.758 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -12.397 14.021 44.888 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -11.324 13.066 45.893 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -14.028 12.025 46.172 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -13.658 12.169 44.465 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -12.559 10.684 47.533 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -11.543 9.459 46.764 1.00 0.00 H new ATOM 1171 N LYS A 75 -12.027 16.304 47.374 1.00 0.00 N ATOM 1172 CA LYS A 75 -11.033 17.310 47.856 1.00 0.00 C ATOM 1173 C LYS A 75 -11.544 17.977 49.148 1.00 0.00 C ATOM 1174 O LYS A 75 -10.753 18.469 49.952 1.00 0.00 O ATOM 1175 CB LYS A 75 -10.842 18.366 46.752 1.00 0.00 C ATOM 1176 CG LYS A 75 -10.239 19.655 47.332 1.00 0.00 C ATOM 1177 CD LYS A 75 -10.538 20.828 46.387 1.00 0.00 C ATOM 1178 CE LYS A 75 -11.522 21.800 47.049 1.00 0.00 C ATOM 1179 NZ LYS A 75 -12.835 21.126 47.257 1.00 0.00 N ATOM 0 H LYS A 75 -12.854 16.703 46.930 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.082 16.825 48.075 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.189 17.971 45.973 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.801 18.586 46.283 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.657 19.853 48.319 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.162 19.541 47.459 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.613 21.348 46.137 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.957 20.455 45.452 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.123 22.142 48.004 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.651 22.683 46.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.586 21.679 46.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.805 20.172 46.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.032 21.056 48.276 1.00 0.00 H new ATOM 1193 N LEU A 76 -12.841 17.986 49.362 1.00 0.00 N ATOM 1194 CA LEU A 76 -13.422 18.593 50.578 1.00 0.00 C ATOM 1195 C LEU A 76 -12.990 20.080 50.709 1.00 0.00 C ATOM 1196 O LEU A 76 -12.767 20.534 51.821 1.00 0.00 O ATOM 1197 CB LEU A 76 -12.954 17.750 51.756 1.00 0.00 C ATOM 1198 CG LEU A 76 -14.060 16.774 52.168 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -13.502 15.737 53.141 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -15.188 17.541 52.850 1.00 0.00 C ATOM 1201 OXT LEU A 76 -12.921 20.751 49.686 1.00 0.00 O ATOM 0 H LEU A 76 -13.527 17.585 48.722 1.00 0.00 H new ATOM 0 HA LEU A 76 -14.511 18.601 50.539 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -12.053 17.200 51.486 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.694 18.395 52.596 1.00 0.00 H new ATOM 0 HG LEU A 76 -14.439 16.271 51.279 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -14.294 15.046 53.430 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -12.695 15.184 52.660 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -13.118 16.240 54.028 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -15.975 16.846 53.143 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -14.801 18.046 53.735 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -15.595 18.280 52.160 1.00 0.00 H new