USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=15 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 -146:sc= -1.47! USER MOD Set 1.2: A 69 MET CE :methyl 141:sc= -4.85! (180deg=-12.1!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.642 K(o=-0.64,f=-0.02) USER MOD Single : A 14 HIS : no HD1:sc= -3.63! K(o=-3.6!,f=-2.4) USER MOD Single : A 19 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.277) USER MOD Single : A 21 ASN : amide:sc= -0.0119 X(o=-0.012,f=-0.17) USER MOD Single : A 22 MET CE :methyl -171:sc= -0.0898 (180deg=-0.193) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HE2:sc= -0.762 K(o=-0.76,f=-2.3) USER MOD Single : A 27 LYS NZ :NH3+ 158:sc= 0.708 (180deg=0.613) USER MOD Single : A 42 THR OG1 : rot 125:sc= 0.178 USER MOD Single : A 44 CYS SG : rot 139:sc= 0.6 USER MOD Single : A 48 SER OG : rot 180:sc= -0.058 USER MOD Single : A 62 LYS NZ :NH3+ -118:sc= -0.86 (180deg=-2.29!) USER MOD Single : A 63 LYS NZ :NH3+ 139:sc= -0.129! (180deg=-5.59!) USER MOD Single : A 68 LYS NZ :NH3+ -110:sc= -0.718 (180deg=-4.91!) USER MOD Single : A 74 GLN : amide:sc= -0.0753 X(o=-0.075,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -133:sc= -2.8! (180deg=-5.43!) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -19.084 9.758 32.630 1.00 0.00 N ATOM 122 CA PRO A 9 -19.401 10.265 33.978 1.00 0.00 C ATOM 123 C PRO A 9 -20.911 10.119 34.255 1.00 0.00 C ATOM 124 O PRO A 9 -21.589 9.304 33.634 1.00 0.00 O ATOM 125 CB PRO A 9 -18.974 11.738 33.913 1.00 0.00 C ATOM 126 CG PRO A 9 -18.979 12.130 32.417 1.00 0.00 C ATOM 127 CD PRO A 9 -18.882 10.819 31.617 1.00 0.00 C ATOM 0 HA PRO A 9 -18.898 9.726 34.781 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -19.660 12.366 34.481 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -17.983 11.874 34.347 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -19.889 12.673 32.162 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -18.141 12.787 32.186 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -19.640 10.773 30.835 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -17.913 10.722 31.127 1.00 0.00 H new ATOM 135 N ILE A 10 -21.441 10.885 35.179 1.00 0.00 N ATOM 136 CA ILE A 10 -22.902 10.809 35.522 1.00 0.00 C ATOM 137 C ILE A 10 -23.204 9.481 36.229 1.00 0.00 C ATOM 138 O ILE A 10 -23.674 9.465 37.363 1.00 0.00 O ATOM 139 CB ILE A 10 -23.754 10.940 34.251 1.00 0.00 C ATOM 140 CG1 ILE A 10 -23.645 12.366 33.707 1.00 0.00 C ATOM 141 CG2 ILE A 10 -25.220 10.641 34.574 1.00 0.00 C ATOM 142 CD1 ILE A 10 -24.240 12.420 32.298 1.00 0.00 C ATOM 0 H ILE A 10 -20.916 11.572 35.720 1.00 0.00 H new ATOM 0 HA ILE A 10 -23.151 11.631 36.193 1.00 0.00 H new ATOM 0 HB ILE A 10 -23.393 10.230 33.507 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -24.172 13.058 34.363 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -22.601 12.680 33.685 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -25.819 10.736 33.668 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -25.307 9.626 34.962 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -25.579 11.348 35.322 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -24.163 13.435 31.909 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -23.693 11.739 31.646 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -25.288 12.124 32.334 1.00 0.00 H new ATOM 154 N SER A 11 -22.931 8.373 35.592 1.00 0.00 N ATOM 155 CA SER A 11 -23.195 7.041 36.233 1.00 0.00 C ATOM 156 C SER A 11 -22.491 6.979 37.592 1.00 0.00 C ATOM 157 O SER A 11 -23.138 6.986 38.638 1.00 0.00 O ATOM 158 CB SER A 11 -22.674 5.918 35.332 1.00 0.00 C ATOM 159 OG SER A 11 -23.384 5.945 34.097 1.00 0.00 O ATOM 0 H SER A 11 -22.535 8.328 34.653 1.00 0.00 H new ATOM 0 HA SER A 11 -24.269 6.917 36.374 1.00 0.00 H new ATOM 0 HB2 SER A 11 -21.606 6.043 35.155 1.00 0.00 H new ATOM 0 HB3 SER A 11 -22.805 4.952 35.820 1.00 0.00 H new ATOM 0 HG SER A 11 -23.054 5.229 33.514 1.00 0.00 H new ATOM 165 N GLN A 12 -21.180 6.948 37.603 1.00 0.00 N ATOM 166 CA GLN A 12 -20.442 6.909 38.906 1.00 0.00 C ATOM 167 C GLN A 12 -20.896 8.079 39.794 1.00 0.00 C ATOM 168 O GLN A 12 -20.844 8.003 41.017 1.00 0.00 O ATOM 169 CB GLN A 12 -18.936 6.999 38.648 1.00 0.00 C ATOM 170 CG GLN A 12 -18.367 5.581 38.482 1.00 0.00 C ATOM 171 CD GLN A 12 -16.950 5.645 37.907 1.00 0.00 C ATOM 172 OE1 GLN A 12 -16.066 4.918 38.340 1.00 0.00 O ATOM 173 NE2 GLN A 12 -16.682 6.473 36.940 1.00 0.00 N ATOM 0 H GLN A 12 -20.591 6.948 36.770 1.00 0.00 H new ATOM 0 HA GLN A 12 -20.659 5.971 39.417 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -18.743 7.589 37.752 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -18.443 7.507 39.476 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -18.354 5.071 39.445 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -19.009 4.998 37.822 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -17.413 7.083 36.573 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -15.741 6.513 36.549 1.00 0.00 H new ATOM 182 N VAL A 13 -21.370 9.154 39.204 1.00 0.00 N ATOM 183 CA VAL A 13 -21.860 10.304 40.026 1.00 0.00 C ATOM 184 C VAL A 13 -23.150 9.870 40.730 1.00 0.00 C ATOM 185 O VAL A 13 -23.367 10.171 41.900 1.00 0.00 O ATOM 186 CB VAL A 13 -22.141 11.522 39.132 1.00 0.00 C ATOM 187 CG1 VAL A 13 -22.528 12.716 40.004 1.00 0.00 C ATOM 188 CG2 VAL A 13 -20.891 11.887 38.331 1.00 0.00 C ATOM 0 H VAL A 13 -21.437 9.282 38.194 1.00 0.00 H new ATOM 0 HA VAL A 13 -21.102 10.586 40.757 1.00 0.00 H new ATOM 0 HB VAL A 13 -22.953 11.275 38.449 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -22.727 13.580 39.370 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -23.422 12.473 40.578 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -21.711 12.948 40.687 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -21.102 12.751 37.701 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -20.077 12.127 39.016 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -20.601 11.044 37.704 1.00 0.00 H new ATOM 198 N HIS A 14 -23.991 9.136 40.047 1.00 0.00 N ATOM 199 CA HIS A 14 -25.243 8.637 40.682 1.00 0.00 C ATOM 200 C HIS A 14 -24.840 7.656 41.793 1.00 0.00 C ATOM 201 O HIS A 14 -25.355 7.705 42.911 1.00 0.00 O ATOM 202 CB HIS A 14 -26.088 7.904 39.631 1.00 0.00 C ATOM 203 CG HIS A 14 -26.955 8.883 38.889 1.00 0.00 C ATOM 204 ND1 HIS A 14 -28.336 8.856 38.975 1.00 0.00 N ATOM 205 CD2 HIS A 14 -26.654 9.913 38.034 1.00 0.00 C ATOM 206 CE1 HIS A 14 -28.812 9.842 38.190 1.00 0.00 C ATOM 207 NE2 HIS A 14 -27.828 10.516 37.593 1.00 0.00 N ATOM 0 H HIS A 14 -23.862 8.861 39.073 1.00 0.00 H new ATOM 0 HA HIS A 14 -25.826 9.462 41.091 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -25.437 7.380 38.931 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -26.709 7.150 40.114 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -25.656 10.211 37.747 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -29.862 10.060 38.060 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -27.917 11.304 36.951 1.00 0.00 H new ATOM 215 N GLU A 15 -23.910 6.781 41.495 1.00 0.00 N ATOM 216 CA GLU A 15 -23.426 5.787 42.504 1.00 0.00 C ATOM 217 C GLU A 15 -22.789 6.514 43.698 1.00 0.00 C ATOM 218 O GLU A 15 -23.228 6.371 44.840 1.00 0.00 O ATOM 219 CB GLU A 15 -22.369 4.886 41.852 1.00 0.00 C ATOM 220 CG GLU A 15 -22.993 4.076 40.707 1.00 0.00 C ATOM 221 CD GLU A 15 -21.917 3.725 39.676 1.00 0.00 C ATOM 222 OE1 GLU A 15 -21.016 2.981 40.020 1.00 0.00 O ATOM 223 OE2 GLU A 15 -22.012 4.210 38.562 1.00 0.00 O ATOM 0 H GLU A 15 -23.460 6.713 40.582 1.00 0.00 H new ATOM 0 HA GLU A 15 -24.270 5.192 42.852 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -21.548 5.494 41.471 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -21.947 4.211 42.597 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -23.446 3.165 41.098 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -23.789 4.651 40.234 1.00 0.00 H new ATOM 230 N ILE A 16 -21.762 7.294 43.456 1.00 0.00 N ATOM 231 CA ILE A 16 -21.091 8.029 44.573 1.00 0.00 C ATOM 232 C ILE A 16 -22.077 9.023 45.202 1.00 0.00 C ATOM 233 O ILE A 16 -22.100 9.216 46.419 1.00 0.00 O ATOM 234 CB ILE A 16 -19.858 8.762 44.028 1.00 0.00 C ATOM 235 CG1 ILE A 16 -18.951 9.167 45.190 1.00 0.00 C ATOM 236 CG2 ILE A 16 -20.281 10.016 43.256 1.00 0.00 C ATOM 237 CD1 ILE A 16 -17.731 9.906 44.644 1.00 0.00 C ATOM 0 H ILE A 16 -21.360 7.453 42.532 1.00 0.00 H new ATOM 0 HA ILE A 16 -20.772 7.325 45.341 1.00 0.00 H new ATOM 0 HB ILE A 16 -19.322 8.094 43.354 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -19.495 9.805 45.886 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -18.637 8.284 45.746 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -19.395 10.525 42.876 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -20.922 9.731 42.422 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -20.827 10.686 43.921 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -17.082 10.196 45.470 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -17.184 9.252 43.965 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -18.056 10.797 44.107 1.00 0.00 H new ATOM 249 N GLY A 17 -22.899 9.644 44.395 1.00 0.00 N ATOM 250 CA GLY A 17 -23.904 10.613 44.927 1.00 0.00 C ATOM 251 C GLY A 17 -24.817 9.887 45.917 1.00 0.00 C ATOM 252 O GLY A 17 -24.909 10.260 47.083 1.00 0.00 O ATOM 0 H GLY A 17 -22.917 9.520 43.383 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -23.401 11.446 45.419 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -24.492 11.033 44.111 1.00 0.00 H new ATOM 256 N ILE A 18 -25.471 8.838 45.485 1.00 0.00 N ATOM 257 CA ILE A 18 -26.357 8.067 46.417 1.00 0.00 C ATOM 258 C ILE A 18 -25.514 7.550 47.592 1.00 0.00 C ATOM 259 O ILE A 18 -25.893 7.678 48.757 1.00 0.00 O ATOM 260 CB ILE A 18 -26.986 6.878 45.671 1.00 0.00 C ATOM 261 CG1 ILE A 18 -27.944 7.387 44.587 1.00 0.00 C ATOM 262 CG2 ILE A 18 -27.764 6.001 46.656 1.00 0.00 C ATOM 263 CD1 ILE A 18 -29.129 8.112 45.232 1.00 0.00 C ATOM 0 H ILE A 18 -25.432 8.481 44.530 1.00 0.00 H new ATOM 0 HA ILE A 18 -27.152 8.714 46.788 1.00 0.00 H new ATOM 0 HB ILE A 18 -26.191 6.293 45.208 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -27.417 8.062 43.913 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -28.302 6.552 43.985 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -28.208 5.160 46.123 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -27.087 5.627 47.424 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -28.552 6.591 47.124 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -29.804 8.470 44.454 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -29.663 7.424 45.888 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -28.765 8.959 45.814 1.00 0.00 H new ATOM 275 N LYS A 19 -24.370 6.978 47.303 1.00 0.00 N ATOM 276 CA LYS A 19 -23.478 6.451 48.386 1.00 0.00 C ATOM 277 C LYS A 19 -23.174 7.549 49.421 1.00 0.00 C ATOM 278 O LYS A 19 -22.987 7.269 50.604 1.00 0.00 O ATOM 279 CB LYS A 19 -22.166 5.969 47.760 1.00 0.00 C ATOM 280 CG LYS A 19 -21.814 4.587 48.307 1.00 0.00 C ATOM 281 CD LYS A 19 -20.297 4.388 48.244 1.00 0.00 C ATOM 282 CE LYS A 19 -19.963 2.900 48.371 1.00 0.00 C ATOM 283 NZ LYS A 19 -20.608 2.351 49.603 1.00 0.00 N ATOM 0 H LYS A 19 -24.013 6.852 46.356 1.00 0.00 H new ATOM 0 HA LYS A 19 -23.982 5.627 48.890 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.263 5.928 46.675 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.365 6.674 47.982 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -22.162 4.491 49.335 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -22.318 3.814 47.726 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -19.909 4.778 47.303 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.814 4.948 49.045 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -20.315 2.360 47.492 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.883 2.761 48.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -20.165 1.444 49.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -20.486 3.023 50.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -21.622 2.204 49.428 1.00 0.00 H new ATOM 297 N ARG A 20 -23.110 8.786 49.002 1.00 0.00 N ATOM 298 CA ARG A 20 -22.813 9.894 49.961 1.00 0.00 C ATOM 299 C ARG A 20 -24.093 10.699 50.261 1.00 0.00 C ATOM 300 O ARG A 20 -24.027 11.863 50.656 1.00 0.00 O ATOM 301 CB ARG A 20 -21.761 10.818 49.334 1.00 0.00 C ATOM 302 CG ARG A 20 -20.844 11.381 50.427 1.00 0.00 C ATOM 303 CD ARG A 20 -19.656 10.440 50.641 1.00 0.00 C ATOM 304 NE ARG A 20 -18.636 10.676 49.569 1.00 0.00 N ATOM 305 CZ ARG A 20 -17.788 11.649 49.671 1.00 0.00 C ATOM 306 NH1 ARG A 20 -16.961 11.687 50.656 1.00 0.00 N ATOM 307 NH2 ARG A 20 -17.765 12.579 48.781 1.00 0.00 N ATOM 0 H ARG A 20 -23.251 9.078 48.035 1.00 0.00 H new ATOM 0 HA ARG A 20 -22.438 9.475 50.895 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -21.172 10.268 48.600 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -22.251 11.634 48.802 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -20.489 12.371 50.142 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -21.400 11.497 51.357 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -19.214 10.611 51.623 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -19.991 9.403 50.618 1.00 0.00 H new ATOM 0 HE ARG A 20 -18.610 10.065 48.752 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.972 10.949 51.360 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -16.294 12.455 50.733 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -18.415 12.549 47.995 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -17.097 13.346 48.861 1.00 0.00 H new ATOM 321 N ASN A 21 -25.254 10.110 50.080 1.00 0.00 N ATOM 322 CA ASN A 21 -26.534 10.849 50.346 1.00 0.00 C ATOM 323 C ASN A 21 -26.558 12.158 49.532 1.00 0.00 C ATOM 324 O ASN A 21 -27.048 13.193 49.986 1.00 0.00 O ATOM 325 CB ASN A 21 -26.641 11.164 51.844 1.00 0.00 C ATOM 326 CG ASN A 21 -27.445 10.071 52.545 1.00 0.00 C ATOM 327 OD1 ASN A 21 -28.586 9.807 52.189 1.00 0.00 O ATOM 328 ND2 ASN A 21 -26.914 9.418 53.533 1.00 0.00 N ATOM 0 H ASN A 21 -25.371 9.149 49.759 1.00 0.00 H new ATOM 0 HA ASN A 21 -27.379 10.229 50.047 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -25.646 11.234 52.282 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -27.122 12.132 51.988 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -27.447 8.690 54.008 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -25.964 9.633 53.834 1.00 0.00 H new ATOM 335 N MET A 22 -26.030 12.128 48.339 1.00 0.00 N ATOM 336 CA MET A 22 -26.000 13.353 47.489 1.00 0.00 C ATOM 337 C MET A 22 -26.902 13.164 46.260 1.00 0.00 C ATOM 338 O MET A 22 -26.596 12.390 45.352 1.00 0.00 O ATOM 339 CB MET A 22 -24.555 13.593 47.037 1.00 0.00 C ATOM 340 CG MET A 22 -23.821 14.436 48.084 1.00 0.00 C ATOM 341 SD MET A 22 -22.263 15.041 47.388 1.00 0.00 S ATOM 342 CE MET A 22 -22.183 16.582 48.333 1.00 0.00 C ATOM 0 H MET A 22 -25.614 11.300 47.913 1.00 0.00 H new ATOM 0 HA MET A 22 -26.364 14.208 48.059 1.00 0.00 H new ATOM 0 HB2 MET A 22 -24.044 12.640 46.899 1.00 0.00 H new ATOM 0 HB3 MET A 22 -24.545 14.102 46.073 1.00 0.00 H new ATOM 0 HG2 MET A 22 -24.444 15.275 48.392 1.00 0.00 H new ATOM 0 HG3 MET A 22 -23.626 13.839 48.975 1.00 0.00 H new ATOM 0 HE1 MET A 22 -21.374 17.203 47.949 1.00 0.00 H new ATOM 0 HE2 MET A 22 -23.128 17.117 48.237 1.00 0.00 H new ATOM 0 HE3 MET A 22 -21.999 16.356 49.383 1.00 0.00 H new ATOM 352 N THR A 23 -28.007 13.859 46.207 1.00 0.00 N ATOM 353 CA THR A 23 -28.927 13.725 45.032 1.00 0.00 C ATOM 354 C THR A 23 -28.272 14.359 43.805 1.00 0.00 C ATOM 355 O THR A 23 -28.202 15.578 43.687 1.00 0.00 O ATOM 356 CB THR A 23 -30.250 14.439 45.328 1.00 0.00 C ATOM 357 OG1 THR A 23 -30.682 14.102 46.638 1.00 0.00 O ATOM 358 CG2 THR A 23 -31.308 14.003 44.315 1.00 0.00 C ATOM 0 H THR A 23 -28.315 14.515 46.925 1.00 0.00 H new ATOM 0 HA THR A 23 -29.122 12.670 44.842 1.00 0.00 H new ATOM 0 HB THR A 23 -30.105 15.517 45.255 1.00 0.00 H new ATOM 0 HG1 THR A 23 -31.527 14.559 46.831 1.00 0.00 H new ATOM 0 HG21 THR A 23 -32.248 14.513 44.528 1.00 0.00 H new ATOM 0 HG22 THR A 23 -30.976 14.260 43.309 1.00 0.00 H new ATOM 0 HG23 THR A 23 -31.456 12.925 44.384 1.00 0.00 H new ATOM 366 N VAL A 24 -27.782 13.556 42.900 1.00 0.00 N ATOM 367 CA VAL A 24 -27.115 14.105 41.676 1.00 0.00 C ATOM 368 C VAL A 24 -28.149 14.803 40.772 1.00 0.00 C ATOM 369 O VAL A 24 -28.874 14.167 40.007 1.00 0.00 O ATOM 370 CB VAL A 24 -26.420 12.960 40.919 1.00 0.00 C ATOM 371 CG1 VAL A 24 -27.430 11.868 40.559 1.00 0.00 C ATOM 372 CG2 VAL A 24 -25.793 13.499 39.634 1.00 0.00 C ATOM 0 H VAL A 24 -27.813 12.538 42.953 1.00 0.00 H new ATOM 0 HA VAL A 24 -26.369 14.843 41.970 1.00 0.00 H new ATOM 0 HB VAL A 24 -25.648 12.538 41.562 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -26.923 11.065 40.024 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -27.877 11.471 41.470 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -28.211 12.289 39.926 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -25.301 12.686 39.100 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -26.570 13.930 39.003 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -25.059 14.266 39.881 1.00 0.00 H new ATOM 382 N HIS A 25 -28.232 16.103 40.851 1.00 0.00 N ATOM 383 CA HIS A 25 -29.216 16.848 40.008 1.00 0.00 C ATOM 384 C HIS A 25 -28.496 17.520 38.826 1.00 0.00 C ATOM 385 O HIS A 25 -27.934 18.607 38.957 1.00 0.00 O ATOM 386 CB HIS A 25 -29.901 17.914 40.868 1.00 0.00 C ATOM 387 CG HIS A 25 -31.041 17.308 41.637 1.00 0.00 C ATOM 388 ND1 HIS A 25 -32.053 16.591 41.021 1.00 0.00 N ATOM 389 CD2 HIS A 25 -31.345 17.311 42.975 1.00 0.00 C ATOM 390 CE1 HIS A 25 -32.912 16.195 41.981 1.00 0.00 C ATOM 391 NE2 HIS A 25 -32.527 16.609 43.191 1.00 0.00 N ATOM 0 H HIS A 25 -27.660 16.685 41.464 1.00 0.00 H new ATOM 0 HA HIS A 25 -29.959 16.153 39.617 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -29.180 18.353 41.558 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -30.269 18.721 40.235 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -32.134 16.398 40.023 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -30.756 17.787 43.745 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -33.803 15.614 41.795 1.00 0.00 H new ATOM 399 N PHE A 26 -28.512 16.897 37.675 1.00 0.00 N ATOM 400 CA PHE A 26 -27.841 17.496 36.474 1.00 0.00 C ATOM 401 C PHE A 26 -28.846 18.378 35.715 1.00 0.00 C ATOM 402 O PHE A 26 -29.880 17.898 35.252 1.00 0.00 O ATOM 403 CB PHE A 26 -27.367 16.372 35.542 1.00 0.00 C ATOM 404 CG PHE A 26 -25.977 15.921 35.925 1.00 0.00 C ATOM 405 CD1 PHE A 26 -24.872 16.730 35.639 1.00 0.00 C ATOM 406 CD2 PHE A 26 -25.793 14.687 36.559 1.00 0.00 C ATOM 407 CE1 PHE A 26 -23.583 16.306 35.989 1.00 0.00 C ATOM 408 CE2 PHE A 26 -24.506 14.262 36.908 1.00 0.00 C ATOM 409 CZ PHE A 26 -23.401 15.071 36.623 1.00 0.00 C ATOM 0 H PHE A 26 -28.962 15.996 37.512 1.00 0.00 H new ATOM 0 HA PHE A 26 -26.990 18.095 36.797 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -28.057 15.530 35.597 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -27.371 16.721 34.509 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -25.012 17.682 35.148 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -26.646 14.062 36.779 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -22.730 16.932 35.770 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -24.366 13.309 37.397 1.00 0.00 H new ATOM 0 HZ PHE A 26 -22.408 14.743 36.892 1.00 0.00 H new ATOM 419 N LYS A 27 -28.574 19.651 35.573 1.00 0.00 N ATOM 420 CA LYS A 27 -29.536 20.532 34.837 1.00 0.00 C ATOM 421 C LYS A 27 -28.801 21.685 34.138 1.00 0.00 C ATOM 422 O LYS A 27 -27.887 22.297 34.689 1.00 0.00 O ATOM 423 CB LYS A 27 -30.553 21.112 35.825 1.00 0.00 C ATOM 424 CG LYS A 27 -31.658 21.846 35.055 1.00 0.00 C ATOM 425 CD LYS A 27 -32.288 22.910 35.961 1.00 0.00 C ATOM 426 CE LYS A 27 -33.176 23.841 35.132 1.00 0.00 C ATOM 427 NZ LYS A 27 -32.327 24.869 34.455 1.00 0.00 N ATOM 0 H LYS A 27 -27.739 20.115 35.929 1.00 0.00 H new ATOM 0 HA LYS A 27 -30.043 19.932 34.082 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -30.985 20.314 36.428 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -30.057 21.798 36.512 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -31.245 22.312 34.160 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -32.418 21.138 34.724 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -32.878 22.431 36.743 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -31.507 23.485 36.458 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -33.731 23.266 34.390 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -33.911 24.327 35.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -32.834 25.251 33.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -32.118 25.640 35.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -31.437 24.432 34.141 1.00 0.00 H new ATOM 441 N VAL A 28 -29.204 22.007 32.939 1.00 0.00 N ATOM 442 CA VAL A 28 -28.557 23.136 32.204 1.00 0.00 C ATOM 443 C VAL A 28 -29.141 24.464 32.712 1.00 0.00 C ATOM 444 O VAL A 28 -30.314 24.542 33.102 1.00 0.00 O ATOM 445 CB VAL A 28 -28.826 22.989 30.697 1.00 0.00 C ATOM 446 CG1 VAL A 28 -28.260 24.196 29.943 1.00 0.00 C ATOM 447 CG2 VAL A 28 -28.143 21.723 30.182 1.00 0.00 C ATOM 0 H VAL A 28 -29.955 21.537 32.434 1.00 0.00 H new ATOM 0 HA VAL A 28 -27.481 23.122 32.376 1.00 0.00 H new ATOM 0 HB VAL A 28 -29.902 22.929 30.534 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -28.455 24.083 28.877 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -28.737 25.107 30.305 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -27.185 24.258 30.110 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -28.332 21.616 29.114 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -27.069 21.793 30.355 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -28.540 20.855 30.709 1.00 0.00 H new ATOM 457 N LEU A 29 -28.357 25.507 32.719 1.00 0.00 N ATOM 458 CA LEU A 29 -28.872 26.834 33.197 1.00 0.00 C ATOM 459 C LEU A 29 -29.655 27.495 32.063 1.00 0.00 C ATOM 460 O LEU A 29 -30.707 28.103 32.274 1.00 0.00 O ATOM 461 CB LEU A 29 -27.703 27.743 33.603 1.00 0.00 C ATOM 462 CG LEU A 29 -26.626 26.930 34.317 1.00 0.00 C ATOM 463 CD1 LEU A 29 -25.497 27.861 34.744 1.00 0.00 C ATOM 464 CD2 LEU A 29 -27.218 26.266 35.559 1.00 0.00 C ATOM 0 H LEU A 29 -27.383 25.504 32.416 1.00 0.00 H new ATOM 0 HA LEU A 29 -29.516 26.681 34.063 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -27.281 28.222 32.719 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -28.061 28.539 34.256 1.00 0.00 H new ATOM 0 HG LEU A 29 -26.245 26.164 33.641 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -24.725 27.286 35.255 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -25.069 28.342 33.864 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -25.889 28.622 35.419 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -26.446 25.687 36.065 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -27.599 27.032 36.235 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -28.033 25.605 35.265 1.00 0.00 H new ATOM 476 N ARG A 30 -29.154 27.386 30.866 1.00 0.00 N ATOM 477 CA ARG A 30 -29.845 27.992 29.683 1.00 0.00 C ATOM 478 C ARG A 30 -29.370 27.297 28.399 1.00 0.00 C ATOM 479 O ARG A 30 -28.193 27.348 28.045 1.00 0.00 O ATOM 480 CB ARG A 30 -29.543 29.497 29.598 1.00 0.00 C ATOM 481 CG ARG A 30 -28.099 29.784 30.038 1.00 0.00 C ATOM 482 CD ARG A 30 -28.059 31.092 30.830 1.00 0.00 C ATOM 483 NE ARG A 30 -28.745 30.895 32.147 1.00 0.00 N ATOM 484 CZ ARG A 30 -29.917 31.401 32.354 1.00 0.00 C ATOM 485 NH1 ARG A 30 -30.045 32.671 32.526 1.00 0.00 N ATOM 486 NH2 ARG A 30 -30.952 30.635 32.391 1.00 0.00 N ATOM 0 H ARG A 30 -28.285 26.898 30.649 1.00 0.00 H new ATOM 0 HA ARG A 30 -30.921 27.857 29.796 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -29.694 29.847 28.577 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -30.238 30.049 30.230 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -27.724 28.964 30.650 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -27.449 29.854 29.166 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -27.026 31.403 30.988 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -28.549 31.886 30.267 1.00 0.00 H new ATOM 0 HE ARG A 30 -28.286 30.359 32.884 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -29.223 33.275 32.499 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -30.968 33.073 32.689 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -30.847 29.629 32.257 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -31.876 31.034 32.554 1.00 0.00 H new ATOM 631 N PHE A 40 -23.653 24.646 26.477 1.00 0.00 N ATOM 632 CA PHE A 40 -23.411 26.003 27.076 1.00 0.00 C ATOM 633 C PHE A 40 -23.043 25.907 28.563 1.00 0.00 C ATOM 634 O PHE A 40 -21.873 26.027 28.925 1.00 0.00 O ATOM 635 CB PHE A 40 -24.646 26.903 26.888 1.00 0.00 C ATOM 636 CG PHE A 40 -25.230 26.713 25.503 1.00 0.00 C ATOM 637 CD1 PHE A 40 -24.402 26.728 24.372 1.00 0.00 C ATOM 638 CD2 PHE A 40 -26.606 26.525 25.357 1.00 0.00 C ATOM 639 CE1 PHE A 40 -24.956 26.553 23.098 1.00 0.00 C ATOM 640 CE2 PHE A 40 -27.161 26.350 24.083 1.00 0.00 C ATOM 641 CZ PHE A 40 -26.336 26.365 22.954 1.00 0.00 C ATOM 0 HA PHE A 40 -22.565 26.448 26.552 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -25.396 26.665 27.642 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -24.369 27.947 27.033 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -23.338 26.874 24.483 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -27.244 26.515 26.229 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -24.319 26.563 22.226 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -28.225 26.204 23.973 1.00 0.00 H new ATOM 0 HZ PHE A 40 -26.763 26.232 21.971 1.00 0.00 H new ATOM 651 N ILE A 41 -23.999 25.723 29.438 1.00 0.00 N ATOM 652 CA ILE A 41 -23.657 25.653 30.893 1.00 0.00 C ATOM 653 C ILE A 41 -24.522 24.607 31.603 1.00 0.00 C ATOM 654 O ILE A 41 -25.718 24.809 31.843 1.00 0.00 O ATOM 655 CB ILE A 41 -23.875 27.021 31.561 1.00 0.00 C ATOM 656 CG1 ILE A 41 -23.292 28.140 30.692 1.00 0.00 C ATOM 657 CG2 ILE A 41 -23.163 27.030 32.914 1.00 0.00 C ATOM 658 CD1 ILE A 41 -24.375 28.684 29.759 1.00 0.00 C ATOM 0 H ILE A 41 -24.989 25.619 29.214 1.00 0.00 H new ATOM 0 HA ILE A 41 -22.608 25.369 30.977 1.00 0.00 H new ATOM 0 HB ILE A 41 -24.945 27.187 31.687 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -22.906 28.941 31.323 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -22.453 27.761 30.109 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -23.311 27.996 33.397 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -23.573 26.242 33.546 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -22.097 26.858 32.765 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -23.958 29.480 29.142 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -24.740 27.881 29.118 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -25.200 29.079 30.351 1.00 0.00 H new ATOM 670 N THR A 42 -23.930 23.508 31.968 1.00 0.00 N ATOM 671 CA THR A 42 -24.683 22.440 32.693 1.00 0.00 C ATOM 672 C THR A 42 -24.286 22.481 34.174 1.00 0.00 C ATOM 673 O THR A 42 -23.111 22.353 34.524 1.00 0.00 O ATOM 674 CB THR A 42 -24.349 21.068 32.086 1.00 0.00 C ATOM 675 OG1 THR A 42 -25.136 20.868 30.924 1.00 0.00 O ATOM 676 CG2 THR A 42 -24.663 19.953 33.084 1.00 0.00 C ATOM 0 H THR A 42 -22.947 23.298 31.795 1.00 0.00 H new ATOM 0 HA THR A 42 -25.756 22.606 32.599 1.00 0.00 H new ATOM 0 HB THR A 42 -23.288 21.044 31.839 1.00 0.00 H new ATOM 0 HG1 THR A 42 -24.551 20.672 30.162 1.00 0.00 H new ATOM 0 HG21 THR A 42 -24.421 18.988 32.639 1.00 0.00 H new ATOM 0 HG22 THR A 42 -24.070 20.095 33.987 1.00 0.00 H new ATOM 0 HG23 THR A 42 -25.723 19.980 33.338 1.00 0.00 H new ATOM 684 N ALA A 43 -25.238 22.669 35.046 1.00 0.00 N ATOM 685 CA ALA A 43 -24.929 22.734 36.506 1.00 0.00 C ATOM 686 C ALA A 43 -25.424 21.459 37.201 1.00 0.00 C ATOM 687 O ALA A 43 -26.537 20.988 36.961 1.00 0.00 O ATOM 688 CB ALA A 43 -25.627 23.959 37.104 1.00 0.00 C ATOM 0 H ALA A 43 -26.224 22.781 34.810 1.00 0.00 H new ATOM 0 HA ALA A 43 -23.852 22.816 36.652 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -25.409 24.018 38.170 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -25.266 24.861 36.610 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -26.704 23.872 36.958 1.00 0.00 H new ATOM 694 N CYS A 44 -24.619 20.891 38.057 1.00 0.00 N ATOM 695 CA CYS A 44 -25.041 19.650 38.773 1.00 0.00 C ATOM 696 C CYS A 44 -25.015 19.897 40.285 1.00 0.00 C ATOM 697 O CYS A 44 -23.977 20.236 40.854 1.00 0.00 O ATOM 698 CB CYS A 44 -24.083 18.510 38.424 1.00 0.00 C ATOM 699 SG CYS A 44 -24.713 16.962 39.119 1.00 0.00 S ATOM 0 H CYS A 44 -23.687 21.232 38.293 1.00 0.00 H new ATOM 0 HA CYS A 44 -26.052 19.381 38.468 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -23.984 18.422 37.342 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -23.089 18.721 38.819 1.00 0.00 H new ATOM 0 HG CYS A 44 -24.554 16.003 38.256 1.00 0.00 H new ATOM 705 N ILE A 45 -26.128 19.738 40.949 1.00 0.00 N ATOM 706 CA ILE A 45 -26.153 19.964 42.428 1.00 0.00 C ATOM 707 C ILE A 45 -26.293 18.623 43.159 1.00 0.00 C ATOM 708 O ILE A 45 -26.960 17.704 42.688 1.00 0.00 O ATOM 709 CB ILE A 45 -27.318 20.901 42.799 1.00 0.00 C ATOM 710 CG1 ILE A 45 -27.082 21.479 44.197 1.00 0.00 C ATOM 711 CG2 ILE A 45 -28.645 20.136 42.796 1.00 0.00 C ATOM 712 CD1 ILE A 45 -28.210 22.452 44.544 1.00 0.00 C ATOM 0 H ILE A 45 -27.019 19.463 40.536 1.00 0.00 H new ATOM 0 HA ILE A 45 -25.218 20.433 42.733 1.00 0.00 H new ATOM 0 HB ILE A 45 -27.366 21.703 42.063 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -27.042 20.675 44.932 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -26.121 21.992 44.232 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -29.456 20.814 43.060 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -28.825 19.724 41.803 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -28.599 19.325 43.522 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -28.042 22.864 45.539 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -28.229 23.262 43.815 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -29.164 21.925 44.526 1.00 0.00 H new ATOM 724 N VAL A 46 -25.670 18.500 44.297 1.00 0.00 N ATOM 725 CA VAL A 46 -25.749 17.229 45.079 1.00 0.00 C ATOM 726 C VAL A 46 -26.021 17.552 46.555 1.00 0.00 C ATOM 727 O VAL A 46 -25.174 18.105 47.260 1.00 0.00 O ATOM 728 CB VAL A 46 -24.429 16.455 44.954 1.00 0.00 C ATOM 729 CG1 VAL A 46 -24.384 15.735 43.608 1.00 0.00 C ATOM 730 CG2 VAL A 46 -23.243 17.418 45.045 1.00 0.00 C ATOM 0 H VAL A 46 -25.103 19.232 44.725 1.00 0.00 H new ATOM 0 HA VAL A 46 -26.560 16.615 44.686 1.00 0.00 H new ATOM 0 HB VAL A 46 -24.368 15.730 45.765 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -23.447 15.186 43.520 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -25.220 15.039 43.540 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -24.453 16.466 42.802 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -22.312 16.858 44.955 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -23.306 18.150 44.239 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -23.265 17.933 46.005 1.00 0.00 H new ATOM 740 N GLY A 47 -27.192 17.224 47.038 1.00 0.00 N ATOM 741 CA GLY A 47 -27.530 17.512 48.471 1.00 0.00 C ATOM 742 C GLY A 47 -27.678 19.022 48.688 1.00 0.00 C ATOM 743 O GLY A 47 -28.783 19.556 48.691 1.00 0.00 O ATOM 0 H GLY A 47 -27.932 16.768 46.504 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -28.457 17.006 48.742 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -26.749 17.119 49.122 1.00 0.00 H new ATOM 747 N SER A 48 -26.588 19.719 48.874 1.00 0.00 N ATOM 748 CA SER A 48 -26.673 21.201 49.099 1.00 0.00 C ATOM 749 C SER A 48 -25.502 21.932 48.414 1.00 0.00 C ATOM 750 O SER A 48 -25.218 23.087 48.721 1.00 0.00 O ATOM 751 CB SER A 48 -26.638 21.487 50.603 1.00 0.00 C ATOM 752 OG SER A 48 -27.466 20.547 51.283 1.00 0.00 O ATOM 0 H SER A 48 -25.644 19.332 48.881 1.00 0.00 H new ATOM 0 HA SER A 48 -27.606 21.563 48.668 1.00 0.00 H new ATOM 0 HB2 SER A 48 -25.615 21.422 50.973 1.00 0.00 H new ATOM 0 HB3 SER A 48 -26.984 22.502 50.800 1.00 0.00 H new ATOM 0 HG SER A 48 -27.443 20.728 52.246 1.00 0.00 H new ATOM 758 N ILE A 49 -24.825 21.295 47.493 1.00 0.00 N ATOM 759 CA ILE A 49 -23.681 21.967 46.793 1.00 0.00 C ATOM 760 C ILE A 49 -23.786 21.694 45.286 1.00 0.00 C ATOM 761 O ILE A 49 -24.113 20.587 44.870 1.00 0.00 O ATOM 762 CB ILE A 49 -22.356 21.410 47.332 1.00 0.00 C ATOM 763 CG1 ILE A 49 -22.223 21.754 48.818 1.00 0.00 C ATOM 764 CG2 ILE A 49 -21.183 22.033 46.571 1.00 0.00 C ATOM 765 CD1 ILE A 49 -21.041 20.990 49.416 1.00 0.00 C ATOM 0 H ILE A 49 -25.013 20.338 47.193 1.00 0.00 H new ATOM 0 HA ILE A 49 -23.716 23.042 46.971 1.00 0.00 H new ATOM 0 HB ILE A 49 -22.345 20.328 47.199 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -22.076 22.827 48.942 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -23.141 21.495 49.345 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -20.245 21.634 46.958 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -21.269 21.794 45.511 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -21.198 23.115 46.702 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -20.947 21.235 50.474 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -21.207 19.918 49.305 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -20.125 21.271 48.896 1.00 0.00 H new ATOM 777 N VAL A 50 -23.529 22.673 44.457 1.00 0.00 N ATOM 778 CA VAL A 50 -23.632 22.437 42.980 1.00 0.00 C ATOM 779 C VAL A 50 -22.321 22.780 42.277 1.00 0.00 C ATOM 780 O VAL A 50 -21.506 23.568 42.755 1.00 0.00 O ATOM 781 CB VAL A 50 -24.772 23.284 42.387 1.00 0.00 C ATOM 782 CG1 VAL A 50 -24.653 24.734 42.851 1.00 0.00 C ATOM 783 CG2 VAL A 50 -24.718 23.262 40.857 1.00 0.00 C ATOM 0 H VAL A 50 -23.255 23.616 44.732 1.00 0.00 H new ATOM 0 HA VAL A 50 -23.844 21.380 42.822 1.00 0.00 H new ATOM 0 HB VAL A 50 -25.715 22.859 42.730 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -25.466 25.321 42.423 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -24.710 24.774 43.939 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -23.698 25.144 42.522 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -25.532 23.866 40.455 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -23.764 23.668 40.521 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -24.820 22.236 40.504 1.00 0.00 H new ATOM 793 N THR A 51 -22.127 22.198 41.133 1.00 0.00 N ATOM 794 CA THR A 51 -20.892 22.461 40.334 1.00 0.00 C ATOM 795 C THR A 51 -21.301 22.918 38.932 1.00 0.00 C ATOM 796 O THR A 51 -21.637 22.105 38.067 1.00 0.00 O ATOM 797 CB THR A 51 -20.055 21.182 40.229 1.00 0.00 C ATOM 798 OG1 THR A 51 -19.960 20.571 41.506 1.00 0.00 O ATOM 799 CG2 THR A 51 -18.652 21.522 39.730 1.00 0.00 C ATOM 0 H THR A 51 -22.779 21.540 40.706 1.00 0.00 H new ATOM 0 HA THR A 51 -20.298 23.234 40.822 1.00 0.00 H new ATOM 0 HB THR A 51 -20.534 20.498 39.529 1.00 0.00 H new ATOM 0 HG1 THR A 51 -19.085 20.139 41.598 1.00 0.00 H new ATOM 0 HG21 THR A 51 -18.061 20.609 39.657 1.00 0.00 H new ATOM 0 HG22 THR A 51 -18.719 21.991 38.748 1.00 0.00 H new ATOM 0 HG23 THR A 51 -18.174 22.209 40.428 1.00 0.00 H new ATOM 807 N GLU A 52 -21.296 24.199 38.691 1.00 0.00 N ATOM 808 CA GLU A 52 -21.692 24.713 37.345 1.00 0.00 C ATOM 809 C GLU A 52 -20.484 24.658 36.402 1.00 0.00 C ATOM 810 O GLU A 52 -19.351 24.933 36.802 1.00 0.00 O ATOM 811 CB GLU A 52 -22.177 26.164 37.469 1.00 0.00 C ATOM 812 CG GLU A 52 -23.125 26.302 38.670 1.00 0.00 C ATOM 813 CD GLU A 52 -24.048 27.503 38.465 1.00 0.00 C ATOM 814 OE1 GLU A 52 -23.630 28.606 38.772 1.00 0.00 O ATOM 815 OE2 GLU A 52 -25.158 27.297 38.009 1.00 0.00 O ATOM 0 H GLU A 52 -21.035 24.916 39.368 1.00 0.00 H new ATOM 0 HA GLU A 52 -22.496 24.096 36.945 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -21.324 26.832 37.590 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -22.689 26.464 36.555 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -23.716 25.393 38.785 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -22.549 26.426 39.587 1.00 0.00 H new ATOM 822 N GLY A 53 -20.693 24.307 35.161 1.00 0.00 N ATOM 823 CA GLY A 53 -19.540 24.243 34.209 1.00 0.00 C ATOM 824 C GLY A 53 -19.993 23.738 32.839 1.00 0.00 C ATOM 825 O GLY A 53 -20.894 24.301 32.223 1.00 0.00 O ATOM 0 H GLY A 53 -21.601 24.064 34.766 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -19.092 25.231 34.107 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -18.770 23.583 34.608 1.00 0.00 H new ATOM 829 N GLU A 54 -19.364 22.693 32.357 1.00 0.00 N ATOM 830 CA GLU A 54 -19.706 22.120 31.012 1.00 0.00 C ATOM 831 C GLU A 54 -18.979 22.925 29.913 1.00 0.00 C ATOM 832 O GLU A 54 -17.868 23.425 30.135 1.00 0.00 O ATOM 833 CB GLU A 54 -21.222 22.134 30.796 1.00 0.00 C ATOM 834 CG GLU A 54 -21.630 20.921 29.947 1.00 0.00 C ATOM 835 CD GLU A 54 -22.485 21.385 28.773 1.00 0.00 C ATOM 836 OE1 GLU A 54 -21.912 21.799 27.783 1.00 0.00 O ATOM 837 OE2 GLU A 54 -23.692 21.309 28.884 1.00 0.00 O ATOM 0 H GLU A 54 -18.615 22.203 32.846 1.00 0.00 H new ATOM 0 HA GLU A 54 -19.375 21.083 30.963 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -21.737 22.109 31.756 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -21.521 23.057 30.298 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -20.742 20.404 29.582 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -22.186 20.208 30.556 1.00 0.00 H new ATOM 844 N GLY A 55 -19.544 23.045 28.736 1.00 0.00 N ATOM 845 CA GLY A 55 -18.839 23.804 27.652 1.00 0.00 C ATOM 846 C GLY A 55 -19.759 24.033 26.449 1.00 0.00 C ATOM 847 O GLY A 55 -20.762 24.739 26.529 1.00 0.00 O ATOM 0 H GLY A 55 -20.451 22.656 28.479 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -18.497 24.764 28.040 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.953 23.254 27.336 1.00 0.00 H new ATOM 943 N LYS A 62 -22.943 17.223 28.573 1.00 0.00 N ATOM 944 CA LYS A 62 -23.417 15.897 29.099 1.00 0.00 C ATOM 945 C LYS A 62 -22.191 15.034 29.436 1.00 0.00 C ATOM 946 O LYS A 62 -22.213 13.807 29.365 1.00 0.00 O ATOM 947 CB LYS A 62 -24.255 15.244 28.000 1.00 0.00 C ATOM 948 CG LYS A 62 -25.166 14.152 28.544 1.00 0.00 C ATOM 949 CD LYS A 62 -26.025 13.631 27.383 1.00 0.00 C ATOM 950 CE LYS A 62 -25.118 13.239 26.205 1.00 0.00 C ATOM 951 NZ LYS A 62 -24.969 14.398 25.263 1.00 0.00 N ATOM 0 HA LYS A 62 -24.017 16.010 30.002 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -24.858 16.005 27.505 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -23.594 14.820 27.244 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -24.576 13.343 28.975 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -25.799 14.545 29.340 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -26.609 12.770 27.708 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -26.734 14.397 27.070 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -24.140 12.933 26.575 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -25.542 12.384 25.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -25.355 14.141 24.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -25.487 15.219 25.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -23.962 14.639 25.166 1.00 0.00 H new ATOM 965 N LYS A 63 -21.121 15.685 29.791 1.00 0.00 N ATOM 966 CA LYS A 63 -19.849 14.987 30.132 1.00 0.00 C ATOM 967 C LYS A 63 -18.933 16.017 30.795 1.00 0.00 C ATOM 968 O LYS A 63 -18.557 15.895 31.954 1.00 0.00 O ATOM 969 CB LYS A 63 -19.205 14.463 28.837 1.00 0.00 C ATOM 970 CG LYS A 63 -18.017 13.556 29.172 1.00 0.00 C ATOM 971 CD LYS A 63 -17.042 13.539 27.989 1.00 0.00 C ATOM 972 CE LYS A 63 -15.800 12.722 28.354 1.00 0.00 C ATOM 973 NZ LYS A 63 -14.690 13.648 28.713 1.00 0.00 N ATOM 0 H LYS A 63 -21.073 16.701 29.861 1.00 0.00 H new ATOM 0 HA LYS A 63 -20.022 14.145 30.802 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -19.941 13.911 28.253 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -18.872 15.299 28.222 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -17.512 13.915 30.069 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -18.365 12.545 29.385 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -17.527 13.109 27.112 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.755 14.557 27.728 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.020 12.058 29.190 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -15.506 12.091 27.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.177 13.272 29.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.037 13.736 27.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.080 14.584 28.946 1.00 0.00 H new ATOM 987 N ARG A 64 -18.611 17.051 30.063 1.00 0.00 N ATOM 988 CA ARG A 64 -17.745 18.152 30.582 1.00 0.00 C ATOM 989 C ARG A 64 -18.173 18.577 32.005 1.00 0.00 C ATOM 990 O ARG A 64 -17.348 18.682 32.913 1.00 0.00 O ATOM 991 CB ARG A 64 -17.876 19.337 29.611 1.00 0.00 C ATOM 992 CG ARG A 64 -17.189 20.580 30.187 1.00 0.00 C ATOM 993 CD ARG A 64 -15.700 20.313 30.394 1.00 0.00 C ATOM 994 NE ARG A 64 -15.103 21.478 31.117 1.00 0.00 N ATOM 995 CZ ARG A 64 -14.586 22.463 30.460 1.00 0.00 C ATOM 996 NH1 ARG A 64 -15.337 23.426 30.043 1.00 0.00 N ATOM 997 NH2 ARG A 64 -13.319 22.477 30.225 1.00 0.00 N ATOM 0 H ARG A 64 -18.921 17.182 29.100 1.00 0.00 H new ATOM 0 HA ARG A 64 -16.711 17.813 30.646 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -17.429 19.079 28.651 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -18.929 19.549 29.426 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -17.324 21.425 29.511 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -17.652 20.853 31.135 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -15.556 19.397 30.968 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -15.204 20.169 29.434 1.00 0.00 H new ATOM 0 HE ARG A 64 -15.104 21.495 32.137 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -16.339 23.410 30.232 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -14.928 24.203 29.524 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.730 21.713 30.557 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.905 23.252 29.707 1.00 0.00 H new ATOM 1011 N ALA A 65 -19.441 18.836 32.213 1.00 0.00 N ATOM 1012 CA ALA A 65 -19.909 19.265 33.571 1.00 0.00 C ATOM 1013 C ALA A 65 -19.815 18.093 34.569 1.00 0.00 C ATOM 1014 O ALA A 65 -19.289 18.238 35.672 1.00 0.00 O ATOM 1015 CB ALA A 65 -21.360 19.751 33.477 1.00 0.00 C ATOM 0 H ALA A 65 -20.171 18.770 31.504 1.00 0.00 H new ATOM 0 HA ALA A 65 -19.272 20.075 33.927 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -21.704 20.064 34.463 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -21.417 20.594 32.788 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -21.992 18.941 33.113 1.00 0.00 H new ATOM 1021 N ALA A 66 -20.317 16.938 34.203 1.00 0.00 N ATOM 1022 CA ALA A 66 -20.264 15.758 35.126 1.00 0.00 C ATOM 1023 C ALA A 66 -18.809 15.443 35.514 1.00 0.00 C ATOM 1024 O ALA A 66 -18.509 15.181 36.680 1.00 0.00 O ATOM 1025 CB ALA A 66 -20.887 14.547 34.425 1.00 0.00 C ATOM 0 H ALA A 66 -20.762 16.760 33.303 1.00 0.00 H new ATOM 0 HA ALA A 66 -20.821 15.988 36.034 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -20.852 13.684 35.090 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -21.924 14.768 34.170 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -20.329 14.326 33.515 1.00 0.00 H new ATOM 1031 N GLU A 67 -17.905 15.469 34.568 1.00 0.00 N ATOM 1032 CA GLU A 67 -16.469 15.182 34.881 1.00 0.00 C ATOM 1033 C GLU A 67 -15.969 16.178 35.927 1.00 0.00 C ATOM 1034 O GLU A 67 -15.407 15.799 36.959 1.00 0.00 O ATOM 1035 CB GLU A 67 -15.636 15.317 33.606 1.00 0.00 C ATOM 1036 CG GLU A 67 -16.072 14.249 32.599 1.00 0.00 C ATOM 1037 CD GLU A 67 -15.220 14.351 31.344 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -15.523 15.190 30.504 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -14.290 13.572 31.216 1.00 0.00 O ATOM 0 H GLU A 67 -18.099 15.677 33.588 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.374 14.169 35.271 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -15.765 16.311 33.178 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.577 15.204 33.837 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.971 13.257 33.039 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.124 14.380 32.348 1.00 0.00 H new ATOM 1046 N LYS A 68 -16.180 17.446 35.692 1.00 0.00 N ATOM 1047 CA LYS A 68 -15.736 18.472 36.679 1.00 0.00 C ATOM 1048 C LYS A 68 -16.420 18.213 38.029 1.00 0.00 C ATOM 1049 O LYS A 68 -15.814 18.372 39.080 1.00 0.00 O ATOM 1050 CB LYS A 68 -16.103 19.874 36.175 1.00 0.00 C ATOM 1051 CG LYS A 68 -15.000 20.866 36.567 1.00 0.00 C ATOM 1052 CD LYS A 68 -15.073 21.157 38.074 1.00 0.00 C ATOM 1053 CE LYS A 68 -14.314 22.450 38.393 1.00 0.00 C ATOM 1054 NZ LYS A 68 -13.316 22.192 39.473 1.00 0.00 N ATOM 0 H LYS A 68 -16.640 17.815 34.860 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.655 18.409 36.801 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -16.227 19.861 35.092 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -17.056 20.187 36.601 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -14.022 20.456 36.313 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -15.113 21.792 36.003 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.113 21.250 38.385 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.645 20.326 38.635 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.810 22.818 37.499 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.013 23.225 38.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.620 22.667 40.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.245 21.168 39.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.388 22.561 39.183 1.00 0.00 H new ATOM 1068 N MET A 69 -17.663 17.801 38.023 1.00 0.00 N ATOM 1069 CA MET A 69 -18.363 17.524 39.313 1.00 0.00 C ATOM 1070 C MET A 69 -17.674 16.357 40.025 1.00 0.00 C ATOM 1071 O MET A 69 -17.434 16.403 41.227 1.00 0.00 O ATOM 1072 CB MET A 69 -19.828 17.169 39.042 1.00 0.00 C ATOM 1073 CG MET A 69 -20.732 18.032 39.925 1.00 0.00 C ATOM 1074 SD MET A 69 -21.846 16.972 40.875 1.00 0.00 S ATOM 1075 CE MET A 69 -22.301 18.202 42.123 1.00 0.00 C ATOM 0 H MET A 69 -18.221 17.645 37.184 1.00 0.00 H new ATOM 0 HA MET A 69 -18.322 18.411 39.945 1.00 0.00 H new ATOM 0 HB2 MET A 69 -20.065 17.332 37.991 1.00 0.00 H new ATOM 0 HB3 MET A 69 -20.002 16.113 39.247 1.00 0.00 H new ATOM 0 HG2 MET A 69 -20.127 18.637 40.600 1.00 0.00 H new ATOM 0 HG3 MET A 69 -21.308 18.722 39.308 1.00 0.00 H new ATOM 0 HE1 MET A 69 -23.360 18.103 42.362 1.00 0.00 H new ATOM 0 HE2 MET A 69 -21.709 18.042 43.024 1.00 0.00 H new ATOM 0 HE3 MET A 69 -22.108 19.202 41.735 1.00 0.00 H new ATOM 1085 N LEU A 70 -17.345 15.314 39.305 1.00 0.00 N ATOM 1086 CA LEU A 70 -16.666 14.141 39.939 1.00 0.00 C ATOM 1087 C LEU A 70 -15.399 14.595 40.675 1.00 0.00 C ATOM 1088 O LEU A 70 -15.219 14.311 41.859 1.00 0.00 O ATOM 1089 CB LEU A 70 -16.301 13.119 38.858 1.00 0.00 C ATOM 1090 CG LEU A 70 -17.556 12.361 38.430 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -17.186 11.328 37.373 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -18.161 11.652 39.641 1.00 0.00 C ATOM 0 H LEU A 70 -17.517 15.223 38.304 1.00 0.00 H new ATOM 0 HA LEU A 70 -17.343 13.683 40.660 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.858 13.624 38.000 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -15.554 12.422 39.238 1.00 0.00 H new ATOM 0 HG LEU A 70 -18.282 13.062 38.019 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.080 10.785 37.066 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.752 11.831 36.509 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -16.461 10.627 37.787 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -19.057 11.111 39.336 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -17.435 10.950 40.052 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -18.423 12.389 40.400 1.00 0.00 H new ATOM 1104 N VAL A 71 -14.518 15.298 40.010 1.00 0.00 N ATOM 1105 CA VAL A 71 -13.274 15.763 40.691 1.00 0.00 C ATOM 1106 C VAL A 71 -13.633 16.688 41.874 1.00 0.00 C ATOM 1107 O VAL A 71 -12.903 16.761 42.870 1.00 0.00 O ATOM 1108 CB VAL A 71 -12.371 16.496 39.682 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -12.172 15.629 38.435 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -13.004 17.823 39.261 1.00 0.00 C ATOM 0 H VAL A 71 -14.606 15.568 39.030 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.733 14.901 41.081 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.411 16.688 40.161 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -11.532 16.154 37.725 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.703 14.687 38.718 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.139 15.429 37.973 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -12.352 18.327 38.548 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.972 17.633 38.797 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.140 18.456 40.138 1.00 0.00 H new ATOM 1120 N GLU A 72 -14.738 17.389 41.802 1.00 0.00 N ATOM 1121 CA GLU A 72 -15.128 18.289 42.932 1.00 0.00 C ATOM 1122 C GLU A 72 -15.740 17.466 44.079 1.00 0.00 C ATOM 1123 O GLU A 72 -15.337 17.608 45.233 1.00 0.00 O ATOM 1124 CB GLU A 72 -16.116 19.350 42.436 1.00 0.00 C ATOM 1125 CG GLU A 72 -15.457 20.192 41.329 1.00 0.00 C ATOM 1126 CD GLU A 72 -14.252 20.973 41.864 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -13.263 20.354 42.230 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -14.312 22.189 41.839 1.00 0.00 O ATOM 0 H GLU A 72 -15.384 17.377 41.013 1.00 0.00 H new ATOM 0 HA GLU A 72 -14.239 18.794 43.311 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.018 18.871 42.055 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -16.421 19.992 43.262 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.138 19.541 40.515 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -16.188 20.886 40.914 1.00 0.00 H new ATOM 1135 N LEU A 73 -16.685 16.600 43.795 1.00 0.00 N ATOM 1136 CA LEU A 73 -17.300 15.766 44.886 1.00 0.00 C ATOM 1137 C LEU A 73 -16.303 14.709 45.398 1.00 0.00 C ATOM 1138 O LEU A 73 -16.441 14.203 46.509 1.00 0.00 O ATOM 1139 CB LEU A 73 -18.560 15.059 44.374 1.00 0.00 C ATOM 1140 CG LEU A 73 -18.247 14.254 43.113 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -18.164 12.768 43.454 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -19.367 14.477 42.106 1.00 0.00 C ATOM 0 H LEU A 73 -17.058 16.433 42.860 1.00 0.00 H new ATOM 0 HA LEU A 73 -17.564 16.435 45.705 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -18.952 14.398 45.147 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -19.335 15.795 44.160 1.00 0.00 H new ATOM 0 HG LEU A 73 -17.293 14.577 42.696 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -17.941 12.199 42.551 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -17.375 12.607 44.189 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -19.117 12.435 43.866 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -19.159 13.909 41.199 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -20.313 14.144 42.534 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -19.432 15.538 41.863 1.00 0.00 H new ATOM 1154 N GLN A 74 -15.315 14.355 44.615 1.00 0.00 N ATOM 1155 CA GLN A 74 -14.325 13.324 45.067 1.00 0.00 C ATOM 1156 C GLN A 74 -13.340 13.922 46.092 1.00 0.00 C ATOM 1157 O GLN A 74 -12.565 13.199 46.716 1.00 0.00 O ATOM 1158 CB GLN A 74 -13.546 12.810 43.853 1.00 0.00 C ATOM 1159 CG GLN A 74 -14.413 11.824 43.057 1.00 0.00 C ATOM 1160 CD GLN A 74 -13.819 10.417 43.139 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -13.652 9.753 42.125 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -13.485 9.920 44.292 1.00 0.00 N ATOM 0 H GLN A 74 -15.149 14.734 43.683 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.864 12.505 45.543 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -13.253 13.646 43.217 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -12.628 12.320 44.179 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -15.429 11.822 43.451 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -14.475 12.141 42.016 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -13.621 10.467 45.142 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -13.087 8.983 44.347 1.00 0.00 H new ATOM 1171 N LYS A 75 -13.348 15.221 46.276 1.00 0.00 N ATOM 1172 CA LYS A 75 -12.411 15.852 47.260 1.00 0.00 C ATOM 1173 C LYS A 75 -13.072 15.927 48.648 1.00 0.00 C ATOM 1174 O LYS A 75 -12.391 15.988 49.672 1.00 0.00 O ATOM 1175 CB LYS A 75 -12.059 17.268 46.783 1.00 0.00 C ATOM 1176 CG LYS A 75 -10.571 17.336 46.415 1.00 0.00 C ATOM 1177 CD LYS A 75 -10.419 17.526 44.903 1.00 0.00 C ATOM 1178 CE LYS A 75 -10.875 18.934 44.502 1.00 0.00 C ATOM 1179 NZ LYS A 75 -12.305 18.893 44.071 1.00 0.00 N ATOM 0 H LYS A 75 -13.963 15.872 45.787 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.506 15.249 47.332 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.669 17.533 45.920 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.283 17.992 47.566 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.093 18.161 46.944 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.067 16.422 46.728 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.379 17.375 44.612 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.010 16.779 44.373 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.757 19.619 45.342 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.251 19.313 43.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.414 19.416 43.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.597 17.905 43.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.901 19.329 44.803 1.00 0.00 H new ATOM 1193 N LEU A 76 -14.379 15.943 48.695 1.00 0.00 N ATOM 1194 CA LEU A 76 -15.100 16.027 49.992 1.00 0.00 C ATOM 1195 C LEU A 76 -15.795 14.679 50.309 1.00 0.00 C ATOM 1196 O LEU A 76 -15.493 13.694 49.649 1.00 0.00 O ATOM 1197 CB LEU A 76 -16.141 17.139 49.865 1.00 0.00 C ATOM 1198 CG LEU A 76 -15.464 18.425 49.379 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -16.194 18.961 48.149 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -15.513 19.471 50.485 1.00 0.00 C ATOM 1201 OXT LEU A 76 -16.622 14.643 51.208 1.00 0.00 O ATOM 0 H LEU A 76 -14.983 15.901 47.874 1.00 0.00 H new ATOM 0 HA LEU A 76 -14.404 16.242 50.803 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -16.922 16.841 49.166 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -16.623 17.311 50.827 1.00 0.00 H new ATOM 0 HG LEU A 76 -14.428 18.209 49.120 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -15.709 19.875 47.808 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -16.164 18.216 47.354 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -17.231 19.175 48.406 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -15.032 20.387 50.141 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -16.551 19.681 50.742 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -14.991 19.095 51.365 1.00 0.00 H new