USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=10 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 -160:sc= -0.264 USER MOD Set 1.2: A 69 MET CE :methyl -124:sc= -2.54 (180deg=-3.08!) USER MOD Single : A 11 SER OG : rot -98:sc= 1.13 USER MOD Single : A 12 GLN : amide:sc= -0.763 K(o=-0.76,f=-2.2!) USER MOD Single : A 14 HIS : no HD1:sc= -1.61 K(o=-1.6,f=-0.6) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -2.01 K(o=-2,f=-8.6!) USER MOD Single : A 22 MET CE :methyl -110:sc= -2.3 (180deg=-9.15!) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.531 USER MOD Single : A 25 HIS : no HD1:sc= -0.203 X(o=-0.2,f=-0.69) 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 138:sc= 0.415 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+ 155:sc= 0.271! (180deg=-3.73!) USER MOD Single : A 68 LYS NZ :NH3+ -158:sc= 0.028 (180deg=-0.883!) USER MOD Single : A 74 GLN : amide:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -17.547 15.839 4.405 1.00 0.00 N ATOM 122 CA PRO A 9 -16.699 14.781 5.005 1.00 0.00 C ATOM 123 C PRO A 9 -16.852 14.723 6.542 1.00 0.00 C ATOM 124 O PRO A 9 -15.944 14.289 7.247 1.00 0.00 O ATOM 125 CB PRO A 9 -15.279 15.216 4.621 1.00 0.00 C ATOM 126 CG PRO A 9 -15.342 16.740 4.350 1.00 0.00 C ATOM 127 CD PRO A 9 -16.817 17.085 4.081 1.00 0.00 C ATOM 0 HA PRO A 9 -16.964 13.784 4.652 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.575 14.994 5.423 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.935 14.679 3.737 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.964 17.300 5.205 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -14.721 17.006 3.495 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -17.151 17.915 4.703 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -16.974 17.380 3.044 1.00 0.00 H new ATOM 135 N ILE A 10 -17.970 15.146 7.077 1.00 0.00 N ATOM 136 CA ILE A 10 -18.155 15.113 8.567 1.00 0.00 C ATOM 137 C ILE A 10 -18.327 13.665 9.054 1.00 0.00 C ATOM 138 O ILE A 10 -17.527 13.170 9.848 1.00 0.00 O ATOM 139 CB ILE A 10 -19.390 15.943 8.952 1.00 0.00 C ATOM 140 CG1 ILE A 10 -19.275 17.357 8.368 1.00 0.00 C ATOM 141 CG2 ILE A 10 -19.489 16.038 10.476 1.00 0.00 C ATOM 142 CD1 ILE A 10 -18.023 18.048 8.917 1.00 0.00 C ATOM 0 H ILE A 10 -18.763 15.513 6.551 1.00 0.00 H new ATOM 0 HA ILE A 10 -17.270 15.537 9.042 1.00 0.00 H new ATOM 0 HB ILE A 10 -20.280 15.457 8.553 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -19.226 17.308 7.280 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -20.162 17.938 8.621 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -20.365 16.627 10.748 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -19.579 15.037 10.898 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -18.593 16.518 10.870 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -17.948 19.051 8.498 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -18.090 18.112 10.003 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -17.139 17.473 8.641 1.00 0.00 H new ATOM 154 N SER A 11 -19.351 12.980 8.601 1.00 0.00 N ATOM 155 CA SER A 11 -19.581 11.560 9.044 1.00 0.00 C ATOM 156 C SER A 11 -18.268 10.766 9.007 1.00 0.00 C ATOM 157 O SER A 11 -17.813 10.261 10.027 1.00 0.00 O ATOM 158 CB SER A 11 -20.602 10.890 8.120 1.00 0.00 C ATOM 159 OG SER A 11 -20.922 9.596 8.623 1.00 0.00 O ATOM 0 H SER A 11 -20.041 13.341 7.942 1.00 0.00 H new ATOM 0 HA SER A 11 -19.960 11.573 10.066 1.00 0.00 H new ATOM 0 HB2 SER A 11 -21.503 11.499 8.054 1.00 0.00 H new ATOM 0 HB3 SER A 11 -20.197 10.810 7.111 1.00 0.00 H new ATOM 0 HG SER A 11 -20.391 8.921 8.151 1.00 0.00 H new ATOM 165 N GLN A 12 -17.652 10.647 7.854 1.00 0.00 N ATOM 166 CA GLN A 12 -16.367 9.875 7.750 1.00 0.00 C ATOM 167 C GLN A 12 -15.382 10.303 8.851 1.00 0.00 C ATOM 168 O GLN A 12 -14.744 9.465 9.485 1.00 0.00 O ATOM 169 CB GLN A 12 -15.736 10.108 6.373 1.00 0.00 C ATOM 170 CG GLN A 12 -15.533 8.757 5.672 1.00 0.00 C ATOM 171 CD GLN A 12 -14.255 8.792 4.833 1.00 0.00 C ATOM 172 OE1 GLN A 12 -13.240 8.225 5.212 1.00 0.00 O ATOM 173 NE2 GLN A 12 -14.246 9.432 3.704 1.00 0.00 N ATOM 0 H GLN A 12 -17.983 11.051 6.978 1.00 0.00 H new ATOM 0 HA GLN A 12 -16.588 8.815 7.877 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -16.378 10.751 5.770 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -14.781 10.622 6.480 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -15.471 7.959 6.412 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -16.390 8.535 5.036 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -15.088 9.908 3.381 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -13.397 9.459 3.140 1.00 0.00 H new ATOM 182 N VAL A 13 -15.247 11.581 9.105 1.00 0.00 N ATOM 183 CA VAL A 13 -14.307 12.031 10.183 1.00 0.00 C ATOM 184 C VAL A 13 -14.762 11.433 11.520 1.00 0.00 C ATOM 185 O VAL A 13 -13.957 10.907 12.289 1.00 0.00 O ATOM 186 CB VAL A 13 -14.302 13.565 10.271 1.00 0.00 C ATOM 187 CG1 VAL A 13 -13.537 14.013 11.517 1.00 0.00 C ATOM 188 CG2 VAL A 13 -13.618 14.152 9.036 1.00 0.00 C ATOM 0 H VAL A 13 -15.742 12.328 8.618 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.297 11.693 9.952 1.00 0.00 H new ATOM 0 HB VAL A 13 -15.333 13.916 10.326 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -13.538 15.102 11.573 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.018 13.604 12.406 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -12.510 13.653 11.462 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.617 15.240 9.103 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.591 13.791 8.983 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -14.158 13.844 8.140 1.00 0.00 H new ATOM 198 N HIS A 14 -16.038 11.479 11.799 1.00 0.00 N ATOM 199 CA HIS A 14 -16.552 10.891 13.067 1.00 0.00 C ATOM 200 C HIS A 14 -16.344 9.368 13.022 1.00 0.00 C ATOM 201 O HIS A 14 -15.903 8.757 13.994 1.00 0.00 O ATOM 202 CB HIS A 14 -18.044 11.219 13.201 1.00 0.00 C ATOM 203 CG HIS A 14 -18.206 12.657 13.611 1.00 0.00 C ATOM 204 ND1 HIS A 14 -18.664 13.022 14.866 1.00 0.00 N ATOM 205 CD2 HIS A 14 -17.968 13.833 12.943 1.00 0.00 C ATOM 206 CE1 HIS A 14 -18.684 14.368 14.915 1.00 0.00 C ATOM 207 NE2 HIS A 14 -18.270 14.912 13.769 1.00 0.00 N ATOM 0 H HIS A 14 -16.748 11.901 11.200 1.00 0.00 H new ATOM 0 HA HIS A 14 -16.020 11.303 13.924 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -18.553 11.040 12.254 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -18.506 10.565 13.940 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -17.602 13.909 11.930 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -18.997 14.938 15.777 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -18.192 15.904 13.546 1.00 0.00 H new ATOM 215 N GLU A 15 -16.635 8.752 11.902 1.00 0.00 N ATOM 216 CA GLU A 15 -16.443 7.275 11.765 1.00 0.00 C ATOM 217 C GLU A 15 -14.970 6.926 12.017 1.00 0.00 C ATOM 218 O GLU A 15 -14.649 6.050 12.822 1.00 0.00 O ATOM 219 CB GLU A 15 -16.825 6.842 10.343 1.00 0.00 C ATOM 220 CG GLU A 15 -18.326 7.066 10.103 1.00 0.00 C ATOM 221 CD GLU A 15 -18.631 6.989 8.605 1.00 0.00 C ATOM 222 OE1 GLU A 15 -18.439 5.929 8.031 1.00 0.00 O ATOM 223 OE2 GLU A 15 -19.054 7.995 8.055 1.00 0.00 O ATOM 0 H GLU A 15 -17.001 9.214 11.070 1.00 0.00 H new ATOM 0 HA GLU A 15 -17.072 6.759 12.490 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -16.245 7.409 9.615 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -16.579 5.790 10.197 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -18.905 6.315 10.640 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -18.625 8.039 10.494 1.00 0.00 H new ATOM 230 N ILE A 16 -14.066 7.599 11.349 1.00 0.00 N ATOM 231 CA ILE A 16 -12.611 7.314 11.548 1.00 0.00 C ATOM 232 C ILE A 16 -12.206 7.694 12.976 1.00 0.00 C ATOM 233 O ILE A 16 -11.578 6.910 13.681 1.00 0.00 O ATOM 234 CB ILE A 16 -11.786 8.119 10.536 1.00 0.00 C ATOM 235 CG1 ILE A 16 -12.094 7.624 9.122 1.00 0.00 C ATOM 236 CG2 ILE A 16 -10.294 7.929 10.814 1.00 0.00 C ATOM 237 CD1 ILE A 16 -11.774 8.729 8.116 1.00 0.00 C ATOM 0 H ILE A 16 -14.273 8.335 10.673 1.00 0.00 H new ATOM 0 HA ILE A 16 -12.423 6.251 11.394 1.00 0.00 H new ATOM 0 HB ILE A 16 -12.042 9.175 10.626 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.505 6.734 8.900 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -13.143 7.340 9.045 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.713 8.503 10.092 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.065 8.275 11.822 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.039 6.873 10.727 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -11.993 8.378 7.108 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -12.382 9.607 8.334 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.719 8.992 8.187 1.00 0.00 H new ATOM 249 N GLY A 17 -12.557 8.874 13.421 1.00 0.00 N ATOM 250 CA GLY A 17 -12.198 9.295 14.813 1.00 0.00 C ATOM 251 C GLY A 17 -12.709 8.258 15.817 1.00 0.00 C ATOM 252 O GLY A 17 -11.981 7.830 16.709 1.00 0.00 O ATOM 0 H GLY A 17 -13.077 9.566 12.881 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.117 9.400 14.903 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -12.632 10.271 15.031 1.00 0.00 H new ATOM 256 N ILE A 18 -13.941 7.840 15.676 1.00 0.00 N ATOM 257 CA ILE A 18 -14.514 6.816 16.608 1.00 0.00 C ATOM 258 C ILE A 18 -13.788 5.474 16.413 1.00 0.00 C ATOM 259 O ILE A 18 -13.440 4.793 17.375 1.00 0.00 O ATOM 260 CB ILE A 18 -16.013 6.655 16.309 1.00 0.00 C ATOM 261 CG1 ILE A 18 -16.769 7.889 16.806 1.00 0.00 C ATOM 262 CG2 ILE A 18 -16.571 5.414 17.011 1.00 0.00 C ATOM 263 CD1 ILE A 18 -16.611 8.024 18.324 1.00 0.00 C ATOM 0 H ILE A 18 -14.581 8.165 14.951 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.382 7.138 17.641 1.00 0.00 H new ATOM 0 HB ILE A 18 -16.142 6.544 15.232 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -16.388 8.783 16.312 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -17.825 7.807 16.548 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -17.633 5.316 16.788 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -16.043 4.528 16.658 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -16.434 5.513 18.088 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -17.152 8.905 18.669 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -17.014 7.136 18.812 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -15.555 8.127 18.572 1.00 0.00 H new ATOM 275 N LYS A 19 -13.550 5.085 15.185 1.00 0.00 N ATOM 276 CA LYS A 19 -12.843 3.789 14.926 1.00 0.00 C ATOM 277 C LYS A 19 -11.356 3.895 15.318 1.00 0.00 C ATOM 278 O LYS A 19 -10.716 2.897 15.644 1.00 0.00 O ATOM 279 CB LYS A 19 -12.959 3.441 13.436 1.00 0.00 C ATOM 280 CG LYS A 19 -13.650 2.084 13.283 1.00 0.00 C ATOM 281 CD LYS A 19 -13.981 1.840 11.807 1.00 0.00 C ATOM 282 CE LYS A 19 -15.009 0.714 11.691 1.00 0.00 C ATOM 283 NZ LYS A 19 -15.111 0.286 10.264 1.00 0.00 N ATOM 0 H LYS A 19 -13.814 5.608 14.350 1.00 0.00 H new ATOM 0 HA LYS A 19 -13.305 3.007 15.528 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -13.527 4.211 12.914 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.969 3.411 12.980 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -13.003 1.291 13.657 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -14.562 2.059 13.880 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -14.373 2.752 11.356 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.076 1.577 11.259 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.714 -0.129 12.316 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.980 1.054 12.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.809 -0.480 10.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -15.411 1.093 9.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.184 -0.053 9.936 1.00 0.00 H new ATOM 297 N ARG A 20 -10.794 5.079 15.286 1.00 0.00 N ATOM 298 CA ARG A 20 -9.352 5.246 15.651 1.00 0.00 C ATOM 299 C ARG A 20 -9.218 5.501 17.162 1.00 0.00 C ATOM 300 O ARG A 20 -8.558 4.743 17.868 1.00 0.00 O ATOM 301 CB ARG A 20 -8.769 6.446 14.882 1.00 0.00 C ATOM 302 CG ARG A 20 -7.665 5.977 13.925 1.00 0.00 C ATOM 303 CD ARG A 20 -6.417 6.854 14.102 1.00 0.00 C ATOM 304 NE ARG A 20 -6.578 8.126 13.320 1.00 0.00 N ATOM 305 CZ ARG A 20 -5.687 9.070 13.402 1.00 0.00 C ATOM 306 NH1 ARG A 20 -4.668 9.071 12.613 1.00 0.00 N ATOM 307 NH2 ARG A 20 -5.824 10.011 14.270 1.00 0.00 N ATOM 0 H ARG A 20 -11.273 5.940 15.022 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.809 4.337 15.390 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.559 6.946 14.321 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.366 7.176 15.584 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.419 4.934 14.122 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.016 6.032 12.895 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.267 7.081 15.157 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.532 6.316 13.762 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.393 8.251 12.719 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.558 8.330 11.921 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.971 9.813 12.680 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.631 10.016 14.893 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.125 10.751 14.334 1.00 0.00 H new ATOM 321 N ASN A 21 -9.833 6.564 17.647 1.00 0.00 N ATOM 322 CA ASN A 21 -9.779 6.946 19.110 1.00 0.00 C ATOM 323 C ASN A 21 -9.791 8.482 19.244 1.00 0.00 C ATOM 324 O ASN A 21 -10.110 9.028 20.300 1.00 0.00 O ATOM 325 CB ASN A 21 -8.502 6.410 19.787 1.00 0.00 C ATOM 326 CG ASN A 21 -7.243 6.958 19.097 1.00 0.00 C ATOM 327 OD1 ASN A 21 -7.306 7.561 18.028 1.00 0.00 O ATOM 328 ND2 ASN A 21 -6.087 6.782 19.659 1.00 0.00 N ATOM 0 H ASN A 21 -10.386 7.202 17.074 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.649 6.507 19.599 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.497 6.694 20.839 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.496 5.321 19.751 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.243 7.143 19.214 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.022 6.283 20.546 1.00 0.00 H new ATOM 335 N MET A 22 -9.418 9.182 18.203 1.00 0.00 N ATOM 336 CA MET A 22 -9.369 10.676 18.252 1.00 0.00 C ATOM 337 C MET A 22 -10.746 11.273 18.609 1.00 0.00 C ATOM 338 O MET A 22 -11.787 10.844 18.111 1.00 0.00 O ATOM 339 CB MET A 22 -8.896 11.192 16.883 1.00 0.00 C ATOM 340 CG MET A 22 -10.098 11.479 15.978 1.00 0.00 C ATOM 341 SD MET A 22 -9.558 11.524 14.253 1.00 0.00 S ATOM 342 CE MET A 22 -10.527 12.970 13.763 1.00 0.00 C ATOM 0 H MET A 22 -9.141 8.777 17.309 1.00 0.00 H new ATOM 0 HA MET A 22 -8.673 10.987 19.031 1.00 0.00 H new ATOM 0 HB2 MET A 22 -8.305 12.099 17.013 1.00 0.00 H new ATOM 0 HB3 MET A 22 -8.247 10.453 16.413 1.00 0.00 H new ATOM 0 HG2 MET A 22 -10.859 10.710 16.112 1.00 0.00 H new ATOM 0 HG3 MET A 22 -10.554 12.430 16.252 1.00 0.00 H new ATOM 0 HE1 MET A 22 -11.329 12.660 13.093 1.00 0.00 H new ATOM 0 HE2 MET A 22 -10.955 13.439 14.649 1.00 0.00 H new ATOM 0 HE3 MET A 22 -9.882 13.684 13.251 1.00 0.00 H new ATOM 352 N THR A 23 -10.760 12.268 19.458 1.00 0.00 N ATOM 353 CA THR A 23 -12.050 12.917 19.854 1.00 0.00 C ATOM 354 C THR A 23 -12.495 13.892 18.758 1.00 0.00 C ATOM 355 O THR A 23 -11.956 14.986 18.631 1.00 0.00 O ATOM 356 CB THR A 23 -11.851 13.695 21.163 1.00 0.00 C ATOM 357 OG1 THR A 23 -10.553 13.424 21.681 1.00 0.00 O ATOM 358 CG2 THR A 23 -12.908 13.269 22.180 1.00 0.00 C ATOM 0 H THR A 23 -9.929 12.663 19.898 1.00 0.00 H new ATOM 0 HA THR A 23 -12.810 12.148 19.992 1.00 0.00 H new ATOM 0 HB THR A 23 -11.950 14.763 20.969 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.424 13.921 22.516 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.764 13.823 23.108 1.00 0.00 H new ATOM 0 HG22 THR A 23 -13.901 13.479 21.782 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.814 12.201 22.377 1.00 0.00 H new ATOM 366 N VAL A 24 -13.465 13.521 17.965 1.00 0.00 N ATOM 367 CA VAL A 24 -13.939 14.438 16.878 1.00 0.00 C ATOM 368 C VAL A 24 -14.813 15.547 17.486 1.00 0.00 C ATOM 369 O VAL A 24 -16.025 15.393 17.644 1.00 0.00 O ATOM 370 CB VAL A 24 -14.755 13.640 15.850 1.00 0.00 C ATOM 371 CG1 VAL A 24 -15.103 14.537 14.662 1.00 0.00 C ATOM 372 CG2 VAL A 24 -13.933 12.450 15.350 1.00 0.00 C ATOM 0 H VAL A 24 -13.951 12.626 18.020 1.00 0.00 H new ATOM 0 HA VAL A 24 -13.079 14.888 16.382 1.00 0.00 H new ATOM 0 HB VAL A 24 -15.670 13.282 16.323 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -15.682 13.968 13.934 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -15.690 15.388 15.008 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -14.185 14.895 14.196 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -14.515 11.886 14.621 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -13.017 12.811 14.882 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -13.680 11.804 16.190 1.00 0.00 H new ATOM 382 N HIS A 25 -14.222 16.658 17.841 1.00 0.00 N ATOM 383 CA HIS A 25 -15.021 17.766 18.449 1.00 0.00 C ATOM 384 C HIS A 25 -14.992 19.007 17.542 1.00 0.00 C ATOM 385 O HIS A 25 -13.995 19.727 17.467 1.00 0.00 O ATOM 386 CB HIS A 25 -14.435 18.110 19.821 1.00 0.00 C ATOM 387 CG HIS A 25 -14.944 17.145 20.855 1.00 0.00 C ATOM 388 ND1 HIS A 25 -16.260 16.712 20.885 1.00 0.00 N ATOM 389 CD2 HIS A 25 -14.322 16.523 21.906 1.00 0.00 C ATOM 390 CE1 HIS A 25 -16.385 15.867 21.926 1.00 0.00 C ATOM 391 NE2 HIS A 25 -15.232 15.717 22.581 1.00 0.00 N ATOM 0 H HIS A 25 -13.225 16.847 17.737 1.00 0.00 H new ATOM 0 HA HIS A 25 -16.056 17.444 18.560 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -13.346 18.071 19.781 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -14.708 19.129 20.097 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -13.281 16.641 22.170 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -17.305 15.371 22.198 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -15.056 15.136 23.401 1.00 0.00 H new ATOM 399 N PHE A 26 -16.076 19.277 16.863 1.00 0.00 N ATOM 400 CA PHE A 26 -16.131 20.473 15.967 1.00 0.00 C ATOM 401 C PHE A 26 -16.656 21.685 16.752 1.00 0.00 C ATOM 402 O PHE A 26 -17.600 21.575 17.536 1.00 0.00 O ATOM 403 CB PHE A 26 -17.075 20.184 14.794 1.00 0.00 C ATOM 404 CG PHE A 26 -16.320 19.479 13.694 1.00 0.00 C ATOM 405 CD1 PHE A 26 -15.595 20.223 12.757 1.00 0.00 C ATOM 406 CD2 PHE A 26 -16.350 18.083 13.607 1.00 0.00 C ATOM 407 CE1 PHE A 26 -14.898 19.570 11.734 1.00 0.00 C ATOM 408 CE2 PHE A 26 -15.653 17.430 12.584 1.00 0.00 C ATOM 409 CZ PHE A 26 -14.927 18.173 11.647 1.00 0.00 C ATOM 0 H PHE A 26 -16.930 18.719 16.890 1.00 0.00 H new ATOM 0 HA PHE A 26 -15.131 20.690 15.592 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -17.909 19.567 15.129 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.499 21.115 14.418 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -15.573 21.301 12.823 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.911 17.509 14.330 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -14.337 20.144 11.011 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -15.676 16.352 12.518 1.00 0.00 H new ATOM 0 HZ PHE A 26 -14.389 17.669 10.857 1.00 0.00 H new ATOM 419 N LYS A 27 -16.068 22.835 16.560 1.00 0.00 N ATOM 420 CA LYS A 27 -16.532 24.053 17.293 1.00 0.00 C ATOM 421 C LYS A 27 -16.487 25.276 16.363 1.00 0.00 C ATOM 422 O LYS A 27 -15.874 25.251 15.297 1.00 0.00 O ATOM 423 CB LYS A 27 -15.619 24.290 18.501 1.00 0.00 C ATOM 424 CG LYS A 27 -15.979 23.303 19.614 1.00 0.00 C ATOM 425 CD LYS A 27 -15.290 23.726 20.913 1.00 0.00 C ATOM 426 CE LYS A 27 -15.857 22.919 22.081 1.00 0.00 C ATOM 427 NZ LYS A 27 -15.309 23.457 23.362 1.00 0.00 N ATOM 0 H LYS A 27 -15.284 22.986 15.926 1.00 0.00 H new ATOM 0 HA LYS A 27 -17.558 23.904 17.630 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -14.576 24.164 18.212 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -15.729 25.314 18.858 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -17.059 23.276 19.755 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -15.668 22.296 19.336 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.215 23.565 20.835 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -15.441 24.791 21.087 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -16.945 22.977 22.084 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.594 21.867 21.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.692 22.911 24.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.272 23.380 23.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.581 24.456 23.464 1.00 0.00 H new ATOM 441 N VAL A 28 -17.118 26.350 16.747 1.00 0.00 N ATOM 442 CA VAL A 28 -17.106 27.576 15.891 1.00 0.00 C ATOM 443 C VAL A 28 -16.750 28.794 16.754 1.00 0.00 C ATOM 444 O VAL A 28 -17.137 28.881 17.917 1.00 0.00 O ATOM 445 CB VAL A 28 -18.489 27.768 15.247 1.00 0.00 C ATOM 446 CG1 VAL A 28 -19.516 28.162 16.311 1.00 0.00 C ATOM 447 CG2 VAL A 28 -18.417 28.875 14.194 1.00 0.00 C ATOM 0 H VAL A 28 -17.643 26.435 17.617 1.00 0.00 H new ATOM 0 HA VAL A 28 -16.362 27.467 15.102 1.00 0.00 H new ATOM 0 HB VAL A 28 -18.791 26.830 14.781 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -20.492 28.295 15.843 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -19.579 27.377 17.064 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -19.210 29.095 16.784 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -19.398 29.009 13.739 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -18.106 29.807 14.666 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -17.695 28.599 13.425 1.00 0.00 H new ATOM 457 N LEU A 29 -16.024 29.733 16.210 1.00 0.00 N ATOM 458 CA LEU A 29 -15.657 30.944 17.009 1.00 0.00 C ATOM 459 C LEU A 29 -16.788 31.966 16.895 1.00 0.00 C ATOM 460 O LEU A 29 -17.403 32.354 17.886 1.00 0.00 O ATOM 461 CB LEU A 29 -14.348 31.558 16.479 1.00 0.00 C ATOM 462 CG LEU A 29 -13.364 30.457 16.073 1.00 0.00 C ATOM 463 CD1 LEU A 29 -12.066 31.094 15.588 1.00 0.00 C ATOM 464 CD2 LEU A 29 -13.060 29.565 17.276 1.00 0.00 C ATOM 0 H LEU A 29 -15.670 29.717 15.254 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.509 30.662 18.051 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -14.560 32.198 15.622 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -13.900 32.190 17.246 1.00 0.00 H new ATOM 0 HG LEU A 29 -13.806 29.858 15.277 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.363 30.313 15.298 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -12.273 31.733 14.729 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -11.633 31.693 16.389 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.360 28.783 16.982 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.620 30.165 18.072 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -13.983 29.109 17.633 1.00 0.00 H new ATOM 476 N ARG A 30 -17.071 32.396 15.693 1.00 0.00 N ATOM 477 CA ARG A 30 -18.166 33.389 15.458 1.00 0.00 C ATOM 478 C ARG A 30 -18.085 33.904 14.016 1.00 0.00 C ATOM 479 O ARG A 30 -17.117 33.644 13.300 1.00 0.00 O ATOM 480 CB ARG A 30 -18.021 34.576 16.419 1.00 0.00 C ATOM 481 CG ARG A 30 -19.401 34.948 16.971 1.00 0.00 C ATOM 482 CD ARG A 30 -19.258 36.050 18.019 1.00 0.00 C ATOM 483 NE ARG A 30 -18.568 37.226 17.405 1.00 0.00 N ATOM 484 CZ ARG A 30 -17.661 37.865 18.063 1.00 0.00 C ATOM 485 NH1 ARG A 30 -16.456 37.409 18.101 1.00 0.00 N ATOM 486 NH2 ARG A 30 -17.965 38.954 18.683 1.00 0.00 N ATOM 0 H ARG A 30 -16.582 32.097 14.849 1.00 0.00 H new ATOM 0 HA ARG A 30 -19.126 32.902 15.629 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -17.347 34.318 17.236 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -17.582 35.428 15.900 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -20.048 35.285 16.161 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -19.874 34.072 17.414 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -20.239 36.343 18.392 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -18.688 35.684 18.873 1.00 0.00 H new ATOM 0 HE ARG A 30 -18.816 37.524 16.462 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -16.222 36.545 17.612 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -15.737 37.912 18.620 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -18.921 39.308 18.652 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -17.250 39.461 19.204 1.00 0.00 H new ATOM 631 N PHE A 40 -17.357 32.876 8.224 1.00 0.00 N ATOM 632 CA PHE A 40 -17.654 31.949 9.363 1.00 0.00 C ATOM 633 C PHE A 40 -16.392 31.168 9.757 1.00 0.00 C ATOM 634 O PHE A 40 -15.972 30.237 9.066 1.00 0.00 O ATOM 635 CB PHE A 40 -18.756 30.971 8.941 1.00 0.00 C ATOM 636 CG PHE A 40 -20.099 31.652 9.039 1.00 0.00 C ATOM 637 CD1 PHE A 40 -20.782 31.682 10.259 1.00 0.00 C ATOM 638 CD2 PHE A 40 -20.660 32.255 7.908 1.00 0.00 C ATOM 639 CE1 PHE A 40 -22.028 32.315 10.348 1.00 0.00 C ATOM 640 CE2 PHE A 40 -21.905 32.887 7.997 1.00 0.00 C ATOM 641 CZ PHE A 40 -22.589 32.918 9.217 1.00 0.00 C ATOM 0 HA PHE A 40 -17.986 32.532 10.222 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -18.583 30.630 7.920 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -18.737 30.088 9.579 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -20.349 31.217 11.132 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -20.132 32.233 6.966 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -22.556 32.338 11.290 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -22.338 33.351 7.123 1.00 0.00 H new ATOM 0 HZ PHE A 40 -23.549 33.407 9.286 1.00 0.00 H new ATOM 651 N ILE A 41 -15.778 31.524 10.855 1.00 0.00 N ATOM 652 CA ILE A 41 -14.540 30.801 11.292 1.00 0.00 C ATOM 653 C ILE A 41 -14.916 29.602 12.178 1.00 0.00 C ATOM 654 O ILE A 41 -15.500 29.752 13.256 1.00 0.00 O ATOM 655 CB ILE A 41 -13.628 31.758 12.068 1.00 0.00 C ATOM 656 CG1 ILE A 41 -13.390 33.029 11.246 1.00 0.00 C ATOM 657 CG2 ILE A 41 -12.283 31.080 12.331 1.00 0.00 C ATOM 658 CD1 ILE A 41 -12.937 34.158 12.172 1.00 0.00 C ATOM 0 H ILE A 41 -16.077 32.282 11.469 1.00 0.00 H new ATOM 0 HA ILE A 41 -14.011 30.437 10.411 1.00 0.00 H new ATOM 0 HB ILE A 41 -14.106 32.017 13.013 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -12.634 32.845 10.483 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -14.304 33.315 10.726 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -11.634 31.760 12.883 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -12.440 30.174 12.916 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -11.814 30.822 11.382 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.768 35.062 11.587 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -13.708 34.348 12.919 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -12.012 33.870 12.671 1.00 0.00 H new ATOM 670 N THR A 42 -14.590 28.416 11.742 1.00 0.00 N ATOM 671 CA THR A 42 -14.917 27.190 12.537 1.00 0.00 C ATOM 672 C THR A 42 -13.623 26.550 13.056 1.00 0.00 C ATOM 673 O THR A 42 -12.633 26.443 12.336 1.00 0.00 O ATOM 674 CB THR A 42 -15.663 26.192 11.640 1.00 0.00 C ATOM 675 OG1 THR A 42 -16.940 26.719 11.317 1.00 0.00 O ATOM 676 CG2 THR A 42 -15.844 24.858 12.364 1.00 0.00 C ATOM 0 H THR A 42 -14.107 28.239 10.861 1.00 0.00 H new ATOM 0 HA THR A 42 -15.546 27.461 13.385 1.00 0.00 H new ATOM 0 HB THR A 42 -15.081 26.029 10.733 1.00 0.00 H new ATOM 0 HG1 THR A 42 -17.419 26.086 10.743 1.00 0.00 H new ATOM 0 HG21 THR A 42 -16.374 24.161 11.715 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.867 24.446 12.617 1.00 0.00 H new ATOM 0 HG23 THR A 42 -16.420 25.014 13.276 1.00 0.00 H new ATOM 684 N ALA A 43 -13.614 26.114 14.288 1.00 0.00 N ATOM 685 CA ALA A 43 -12.390 25.474 14.858 1.00 0.00 C ATOM 686 C ALA A 43 -12.701 24.020 15.243 1.00 0.00 C ATOM 687 O ALA A 43 -13.653 23.743 15.970 1.00 0.00 O ATOM 688 CB ALA A 43 -11.946 26.257 16.097 1.00 0.00 C ATOM 0 H ALA A 43 -14.406 26.174 14.928 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.591 25.482 14.117 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.053 25.795 16.518 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.724 27.287 15.817 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.744 26.247 16.839 1.00 0.00 H new ATOM 694 N CYS A 44 -11.922 23.087 14.769 1.00 0.00 N ATOM 695 CA CYS A 44 -12.179 21.654 15.107 1.00 0.00 C ATOM 696 C CYS A 44 -11.029 21.099 15.958 1.00 0.00 C ATOM 697 O CYS A 44 -9.854 21.342 15.680 1.00 0.00 O ATOM 698 CB CYS A 44 -12.297 20.846 13.811 1.00 0.00 C ATOM 699 SG CYS A 44 -12.579 19.102 14.207 1.00 0.00 S ATOM 0 H CYS A 44 -11.119 23.252 14.163 1.00 0.00 H new ATOM 0 HA CYS A 44 -13.106 21.578 15.675 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -13.118 21.229 13.205 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.388 20.953 13.220 1.00 0.00 H new ATOM 0 HG CYS A 44 -13.484 18.617 13.410 1.00 0.00 H new ATOM 705 N ILE A 45 -11.344 20.350 16.979 1.00 0.00 N ATOM 706 CA ILE A 45 -10.275 19.762 17.841 1.00 0.00 C ATOM 707 C ILE A 45 -10.349 18.230 17.755 1.00 0.00 C ATOM 708 O ILE A 45 -11.430 17.638 17.772 1.00 0.00 O ATOM 709 CB ILE A 45 -10.457 20.240 19.296 1.00 0.00 C ATOM 710 CG1 ILE A 45 -9.123 20.126 20.051 1.00 0.00 C ATOM 711 CG2 ILE A 45 -11.525 19.409 20.011 1.00 0.00 C ATOM 712 CD1 ILE A 45 -8.833 18.664 20.416 1.00 0.00 C ATOM 0 H ILE A 45 -12.298 20.118 17.256 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.294 20.089 17.496 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.780 21.281 19.279 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.315 20.520 19.434 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.158 20.732 20.956 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.636 19.764 21.036 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -12.475 19.509 19.487 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.225 18.361 20.020 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.885 18.604 20.950 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -9.632 18.282 21.051 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.776 18.066 19.506 1.00 0.00 H new ATOM 724 N VAL A 46 -9.222 17.583 17.646 1.00 0.00 N ATOM 725 CA VAL A 46 -9.211 16.095 17.546 1.00 0.00 C ATOM 726 C VAL A 46 -8.186 15.518 18.532 1.00 0.00 C ATOM 727 O VAL A 46 -6.974 15.628 18.339 1.00 0.00 O ATOM 728 CB VAL A 46 -8.859 15.697 16.107 1.00 0.00 C ATOM 729 CG1 VAL A 46 -8.423 14.235 16.058 1.00 0.00 C ATOM 730 CG2 VAL A 46 -10.091 15.875 15.222 1.00 0.00 C ATOM 0 H VAL A 46 -8.302 18.023 17.622 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.193 15.695 17.798 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.044 16.329 15.753 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.176 13.963 15.032 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.547 14.095 16.692 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.234 13.601 16.416 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.847 15.594 14.198 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.898 15.241 15.590 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.409 16.917 15.246 1.00 0.00 H new ATOM 740 N GLY A 47 -8.655 14.906 19.589 1.00 0.00 N ATOM 741 CA GLY A 47 -7.723 14.312 20.606 1.00 0.00 C ATOM 742 C GLY A 47 -6.855 15.409 21.235 1.00 0.00 C ATOM 743 O GLY A 47 -7.255 16.064 22.193 1.00 0.00 O ATOM 0 H GLY A 47 -9.647 14.790 19.796 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.296 13.803 21.381 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.088 13.562 20.134 1.00 0.00 H new ATOM 747 N SER A 48 -5.675 15.618 20.715 1.00 0.00 N ATOM 748 CA SER A 48 -4.773 16.674 21.283 1.00 0.00 C ATOM 749 C SER A 48 -4.322 17.645 20.179 1.00 0.00 C ATOM 750 O SER A 48 -3.313 18.334 20.316 1.00 0.00 O ATOM 751 CB SER A 48 -3.542 16.010 21.907 1.00 0.00 C ATOM 752 OG SER A 48 -3.947 14.862 22.649 1.00 0.00 O ATOM 0 H SER A 48 -5.292 15.105 19.921 1.00 0.00 H new ATOM 0 HA SER A 48 -5.320 17.232 22.043 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.836 15.722 21.128 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.027 16.715 22.559 1.00 0.00 H new ATOM 0 HG SER A 48 -3.160 14.435 23.047 1.00 0.00 H new ATOM 758 N ILE A 49 -5.047 17.719 19.090 1.00 0.00 N ATOM 759 CA ILE A 49 -4.655 18.649 17.984 1.00 0.00 C ATOM 760 C ILE A 49 -5.850 19.540 17.614 1.00 0.00 C ATOM 761 O ILE A 49 -6.998 19.100 17.629 1.00 0.00 O ATOM 762 CB ILE A 49 -4.221 17.828 16.761 1.00 0.00 C ATOM 763 CG1 ILE A 49 -2.991 16.989 17.114 1.00 0.00 C ATOM 764 CG2 ILE A 49 -3.866 18.763 15.604 1.00 0.00 C ATOM 765 CD1 ILE A 49 -3.331 15.504 16.986 1.00 0.00 C ATOM 0 H ILE A 49 -5.893 17.176 18.919 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.827 19.278 18.311 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.043 17.176 16.466 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.163 17.242 16.451 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.665 17.212 18.130 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.559 18.173 14.740 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.737 19.364 15.342 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.049 19.419 15.904 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.454 14.907 17.238 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.146 15.257 17.667 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.636 15.287 15.962 1.00 0.00 H new ATOM 777 N VAL A 50 -5.609 20.779 17.280 1.00 0.00 N ATOM 778 CA VAL A 50 -6.741 21.689 16.906 1.00 0.00 C ATOM 779 C VAL A 50 -6.507 22.249 15.500 1.00 0.00 C ATOM 780 O VAL A 50 -5.373 22.485 15.085 1.00 0.00 O ATOM 781 CB VAL A 50 -6.844 22.857 17.898 1.00 0.00 C ATOM 782 CG1 VAL A 50 -8.298 23.320 17.991 1.00 0.00 C ATOM 783 CG2 VAL A 50 -6.375 22.421 19.289 1.00 0.00 C ATOM 0 H VAL A 50 -4.682 21.204 17.249 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.668 21.116 16.931 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.211 23.670 17.544 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.372 24.149 18.695 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.639 23.647 17.009 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.921 22.495 18.336 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.455 23.261 19.980 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.999 21.600 19.643 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.337 22.092 19.236 1.00 0.00 H new ATOM 793 N THR A 51 -7.560 22.469 14.764 1.00 0.00 N ATOM 794 CA THR A 51 -7.416 23.018 13.379 1.00 0.00 C ATOM 795 C THR A 51 -8.525 24.035 13.103 1.00 0.00 C ATOM 796 O THR A 51 -9.712 23.741 13.252 1.00 0.00 O ATOM 797 CB THR A 51 -7.526 21.882 12.360 1.00 0.00 C ATOM 798 OG1 THR A 51 -6.648 20.827 12.723 1.00 0.00 O ATOM 799 CG2 THR A 51 -7.153 22.397 10.972 1.00 0.00 C ATOM 0 H THR A 51 -8.520 22.293 15.060 1.00 0.00 H new ATOM 0 HA THR A 51 -6.443 23.502 13.293 1.00 0.00 H new ATOM 0 HB THR A 51 -8.551 21.513 12.346 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.476 20.261 11.941 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.233 21.585 10.249 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.830 23.203 10.689 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.129 22.771 10.986 1.00 0.00 H new ATOM 807 N GLU A 52 -8.166 25.221 12.697 1.00 0.00 N ATOM 808 CA GLU A 52 -9.198 26.260 12.402 1.00 0.00 C ATOM 809 C GLU A 52 -9.517 26.265 10.898 1.00 0.00 C ATOM 810 O GLU A 52 -8.683 25.904 10.063 1.00 0.00 O ATOM 811 CB GLU A 52 -8.669 27.634 12.821 1.00 0.00 C ATOM 812 CG GLU A 52 -8.638 27.730 14.352 1.00 0.00 C ATOM 813 CD GLU A 52 -8.190 29.129 14.776 1.00 0.00 C ATOM 814 OE1 GLU A 52 -9.039 29.999 14.858 1.00 0.00 O ATOM 815 OE2 GLU A 52 -7.008 29.301 15.015 1.00 0.00 O ATOM 0 H GLU A 52 -7.201 25.518 12.556 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.108 26.035 12.958 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.669 27.788 12.417 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.303 28.420 12.410 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.626 27.516 14.759 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.957 26.982 14.758 1.00 0.00 H new ATOM 822 N GLY A 53 -10.709 26.666 10.540 1.00 0.00 N ATOM 823 CA GLY A 53 -11.106 26.706 9.095 1.00 0.00 C ATOM 824 C GLY A 53 -12.054 27.885 8.865 1.00 0.00 C ATOM 825 O GLY A 53 -13.101 27.994 9.502 1.00 0.00 O ATOM 0 H GLY A 53 -11.433 26.971 11.191 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.222 26.807 8.465 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.593 25.772 8.813 1.00 0.00 H new ATOM 829 N GLU A 54 -11.709 28.771 7.978 1.00 0.00 N ATOM 830 CA GLU A 54 -12.585 29.956 7.714 1.00 0.00 C ATOM 831 C GLU A 54 -13.552 29.648 6.560 1.00 0.00 C ATOM 832 O GLU A 54 -13.218 29.802 5.386 1.00 0.00 O ATOM 833 CB GLU A 54 -11.736 31.198 7.353 1.00 0.00 C ATOM 834 CG GLU A 54 -10.234 30.944 7.594 1.00 0.00 C ATOM 835 CD GLU A 54 -9.612 30.259 6.372 1.00 0.00 C ATOM 836 OE1 GLU A 54 -9.180 30.962 5.475 1.00 0.00 O ATOM 837 OE2 GLU A 54 -9.585 29.037 6.353 1.00 0.00 O ATOM 0 H GLU A 54 -10.856 28.731 7.419 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.151 30.168 8.621 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.899 31.460 6.308 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.063 32.050 7.950 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.725 31.888 7.790 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.100 30.320 8.478 1.00 0.00 H new ATOM 844 N GLY A 55 -14.748 29.222 6.865 1.00 0.00 N ATOM 845 CA GLY A 55 -15.734 28.920 5.776 1.00 0.00 C ATOM 846 C GLY A 55 -16.534 30.185 5.434 1.00 0.00 C ATOM 847 O GLY A 55 -16.724 31.066 6.270 1.00 0.00 O ATOM 0 H GLY A 55 -15.088 29.069 7.814 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -15.212 28.558 4.890 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -16.410 28.126 6.094 1.00 0.00 H new ATOM 943 N LYS A 62 -18.105 24.527 8.582 1.00 0.00 N ATOM 944 CA LYS A 62 -17.880 23.143 9.109 1.00 0.00 C ATOM 945 C LYS A 62 -17.196 22.276 8.038 1.00 0.00 C ATOM 946 O LYS A 62 -16.299 21.491 8.336 1.00 0.00 O ATOM 947 CB LYS A 62 -19.227 22.517 9.487 1.00 0.00 C ATOM 948 CG LYS A 62 -19.736 23.134 10.794 1.00 0.00 C ATOM 949 CD LYS A 62 -20.494 22.074 11.603 1.00 0.00 C ATOM 950 CE LYS A 62 -21.796 21.705 10.886 1.00 0.00 C ATOM 951 NZ LYS A 62 -21.730 20.276 10.455 1.00 0.00 N ATOM 0 HA LYS A 62 -17.238 23.196 9.989 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -19.952 22.682 8.690 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -19.118 21.438 9.601 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -18.899 23.520 11.376 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -20.391 23.978 10.578 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -19.873 21.187 11.728 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -20.713 22.453 12.601 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -22.647 21.858 11.550 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -21.945 22.352 10.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -22.612 20.019 9.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -20.926 20.145 9.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -21.606 19.667 11.289 1.00 0.00 H new ATOM 965 N LYS A 63 -17.606 22.405 6.802 1.00 0.00 N ATOM 966 CA LYS A 63 -16.989 21.594 5.705 1.00 0.00 C ATOM 967 C LYS A 63 -15.504 21.965 5.545 1.00 0.00 C ATOM 968 O LYS A 63 -14.621 21.135 5.748 1.00 0.00 O ATOM 969 CB LYS A 63 -17.743 21.874 4.399 1.00 0.00 C ATOM 970 CG LYS A 63 -17.376 20.820 3.354 1.00 0.00 C ATOM 971 CD LYS A 63 -17.743 21.345 1.962 1.00 0.00 C ATOM 972 CE LYS A 63 -16.941 20.595 0.900 1.00 0.00 C ATOM 973 NZ LYS A 63 -15.669 21.325 0.637 1.00 0.00 N ATOM 0 H LYS A 63 -18.346 23.040 6.502 1.00 0.00 H new ATOM 0 HA LYS A 63 -17.056 20.534 5.950 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -18.818 21.862 4.579 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -17.493 22.868 4.030 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.310 20.597 3.403 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -17.906 19.889 3.557 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -18.811 21.216 1.784 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -17.537 22.414 1.900 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.728 19.581 1.237 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.522 20.510 -0.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.956 20.661 0.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.837 22.072 -0.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.325 21.752 1.521 1.00 0.00 H new ATOM 987 N ARG A 64 -15.218 23.197 5.202 1.00 0.00 N ATOM 988 CA ARG A 64 -13.794 23.639 5.034 1.00 0.00 C ATOM 989 C ARG A 64 -13.004 23.362 6.322 1.00 0.00 C ATOM 990 O ARG A 64 -11.851 22.927 6.284 1.00 0.00 O ATOM 991 CB ARG A 64 -13.768 25.143 4.726 1.00 0.00 C ATOM 992 CG ARG A 64 -12.413 25.527 4.123 1.00 0.00 C ATOM 993 CD ARG A 64 -12.413 27.016 3.767 1.00 0.00 C ATOM 994 NE ARG A 64 -11.087 27.607 4.119 1.00 0.00 N ATOM 995 CZ ARG A 64 -10.695 28.715 3.577 1.00 0.00 C ATOM 996 NH1 ARG A 64 -11.217 29.827 3.947 1.00 0.00 N ATOM 997 NH2 ARG A 64 -9.789 28.700 2.662 1.00 0.00 N ATOM 0 H ARG A 64 -15.914 23.923 5.029 1.00 0.00 H new ATOM 0 HA ARG A 64 -13.337 23.087 4.213 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -14.570 25.395 4.032 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -13.945 25.713 5.638 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -11.614 25.312 4.833 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -12.217 24.930 3.232 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.612 27.148 2.703 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -13.208 27.531 4.306 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.485 27.133 4.793 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.939 29.837 4.667 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.910 30.701 3.521 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.380 27.814 2.364 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.481 29.574 2.235 1.00 0.00 H new ATOM 1011 N ALA A 65 -13.604 23.602 7.461 1.00 0.00 N ATOM 1012 CA ALA A 65 -12.897 23.347 8.750 1.00 0.00 C ATOM 1013 C ALA A 65 -12.612 21.840 8.889 1.00 0.00 C ATOM 1014 O ALA A 65 -11.517 21.429 9.276 1.00 0.00 O ATOM 1015 CB ALA A 65 -13.778 23.820 9.910 1.00 0.00 C ATOM 0 H ALA A 65 -14.553 23.964 7.552 1.00 0.00 H new ATOM 0 HA ALA A 65 -11.953 23.892 8.768 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.266 23.636 10.854 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -13.975 24.887 9.806 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -14.721 23.274 9.896 1.00 0.00 H new ATOM 1021 N ALA A 66 -13.577 21.011 8.571 1.00 0.00 N ATOM 1022 CA ALA A 66 -13.379 19.531 8.670 1.00 0.00 C ATOM 1023 C ALA A 66 -12.361 19.064 7.617 1.00 0.00 C ATOM 1024 O ALA A 66 -11.439 18.304 7.919 1.00 0.00 O ATOM 1025 CB ALA A 66 -14.721 18.829 8.434 1.00 0.00 C ATOM 0 H ALA A 66 -14.500 21.299 8.245 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.000 19.282 9.661 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -14.585 17.750 8.505 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -15.439 19.154 9.187 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -15.095 19.083 7.442 1.00 0.00 H new ATOM 1031 N GLU A 67 -12.505 19.506 6.393 1.00 0.00 N ATOM 1032 CA GLU A 67 -11.547 19.095 5.318 1.00 0.00 C ATOM 1033 C GLU A 67 -10.117 19.442 5.746 1.00 0.00 C ATOM 1034 O GLU A 67 -9.207 18.612 5.670 1.00 0.00 O ATOM 1035 CB GLU A 67 -11.903 19.827 4.020 1.00 0.00 C ATOM 1036 CG GLU A 67 -13.244 19.299 3.493 1.00 0.00 C ATOM 1037 CD GLU A 67 -13.759 20.192 2.368 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -14.131 21.322 2.646 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -13.802 19.728 1.240 1.00 0.00 O ATOM 0 H GLU A 67 -13.247 20.136 6.090 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.614 18.020 5.153 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.967 20.900 4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.121 19.674 3.276 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.123 18.278 3.130 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.973 19.265 4.303 1.00 0.00 H new ATOM 1046 N LYS A 68 -9.906 20.643 6.217 1.00 0.00 N ATOM 1047 CA LYS A 68 -8.541 21.042 6.678 1.00 0.00 C ATOM 1048 C LYS A 68 -8.107 20.129 7.836 1.00 0.00 C ATOM 1049 O LYS A 68 -6.949 19.729 7.932 1.00 0.00 O ATOM 1050 CB LYS A 68 -8.564 22.500 7.148 1.00 0.00 C ATOM 1051 CG LYS A 68 -7.128 23.023 7.240 1.00 0.00 C ATOM 1052 CD LYS A 68 -7.145 24.494 7.668 1.00 0.00 C ATOM 1053 CE LYS A 68 -5.721 25.053 7.651 1.00 0.00 C ATOM 1054 NZ LYS A 68 -4.872 24.272 8.595 1.00 0.00 N ATOM 0 H LYS A 68 -10.620 21.366 6.303 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.834 20.943 5.855 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.142 23.109 6.453 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.053 22.574 8.119 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.560 22.431 7.958 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.630 22.920 6.276 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.780 25.071 6.996 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.571 24.587 8.667 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.309 24.998 6.643 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.728 26.105 7.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.047 24.842 8.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.426 24.030 9.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.549 23.399 8.131 1.00 0.00 H new ATOM 1068 N MET A 69 -9.018 19.779 8.708 1.00 0.00 N ATOM 1069 CA MET A 69 -8.663 18.880 9.847 1.00 0.00 C ATOM 1070 C MET A 69 -8.244 17.506 9.307 1.00 0.00 C ATOM 1071 O MET A 69 -7.277 16.911 9.772 1.00 0.00 O ATOM 1072 CB MET A 69 -9.876 18.722 10.770 1.00 0.00 C ATOM 1073 CG MET A 69 -9.495 19.153 12.186 1.00 0.00 C ATOM 1074 SD MET A 69 -8.931 17.715 13.123 1.00 0.00 S ATOM 1075 CE MET A 69 -8.147 18.630 14.475 1.00 0.00 C ATOM 0 H MET A 69 -9.993 20.077 8.680 1.00 0.00 H new ATOM 0 HA MET A 69 -7.835 19.314 10.408 1.00 0.00 H new ATOM 0 HB2 MET A 69 -10.706 19.327 10.405 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.213 17.685 10.772 1.00 0.00 H new ATOM 0 HG2 MET A 69 -8.709 19.907 12.149 1.00 0.00 H new ATOM 0 HG3 MET A 69 -10.352 19.610 12.681 1.00 0.00 H new ATOM 0 HE1 MET A 69 -7.104 18.325 14.564 1.00 0.00 H new ATOM 0 HE2 MET A 69 -8.196 19.699 14.268 1.00 0.00 H new ATOM 0 HE3 MET A 69 -8.668 18.417 15.409 1.00 0.00 H new ATOM 1085 N LEU A 70 -8.954 16.988 8.336 1.00 0.00 N ATOM 1086 CA LEU A 70 -8.595 15.650 7.772 1.00 0.00 C ATOM 1087 C LEU A 70 -7.199 15.692 7.130 1.00 0.00 C ATOM 1088 O LEU A 70 -6.349 14.854 7.422 1.00 0.00 O ATOM 1089 CB LEU A 70 -9.631 15.241 6.718 1.00 0.00 C ATOM 1090 CG LEU A 70 -10.897 14.722 7.405 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -11.834 14.129 6.356 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -10.530 13.635 8.418 1.00 0.00 C ATOM 0 H LEU A 70 -9.766 17.433 7.909 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.587 14.921 8.582 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.874 16.094 6.085 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.217 14.470 6.069 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.389 15.547 7.920 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.736 13.759 6.842 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.102 14.898 5.631 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.334 13.307 5.845 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.435 13.270 8.904 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.036 12.811 7.904 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.857 14.050 9.169 1.00 0.00 H new ATOM 1104 N VAL A 71 -6.942 16.641 6.263 1.00 0.00 N ATOM 1105 CA VAL A 71 -5.595 16.716 5.612 1.00 0.00 C ATOM 1106 C VAL A 71 -4.497 16.880 6.678 1.00 0.00 C ATOM 1107 O VAL A 71 -3.434 16.265 6.590 1.00 0.00 O ATOM 1108 CB VAL A 71 -5.556 17.894 4.628 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -6.521 17.631 3.473 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -5.964 19.192 5.329 1.00 0.00 C ATOM 0 H VAL A 71 -7.603 17.364 5.978 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.415 15.790 5.065 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.539 17.995 4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -6.491 18.469 2.776 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.228 16.718 2.955 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.533 17.519 3.863 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.931 20.016 4.617 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.976 19.091 5.720 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -5.276 19.394 6.150 1.00 0.00 H new ATOM 1120 N GLU A 72 -4.735 17.681 7.687 1.00 0.00 N ATOM 1121 CA GLU A 72 -3.708 17.868 8.759 1.00 0.00 C ATOM 1122 C GLU A 72 -3.600 16.583 9.601 1.00 0.00 C ATOM 1123 O GLU A 72 -2.510 16.048 9.810 1.00 0.00 O ATOM 1124 CB GLU A 72 -4.118 19.048 9.651 1.00 0.00 C ATOM 1125 CG GLU A 72 -3.149 20.220 9.434 1.00 0.00 C ATOM 1126 CD GLU A 72 -3.927 21.527 9.274 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -4.247 22.138 10.279 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -4.179 21.914 8.143 1.00 0.00 O ATOM 0 H GLU A 72 -5.596 18.213 7.815 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.738 18.077 8.307 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.137 19.357 9.417 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.110 18.745 10.698 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.465 20.297 10.279 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.541 20.039 8.547 1.00 0.00 H new ATOM 1135 N LEU A 73 -4.710 16.074 10.079 1.00 0.00 N ATOM 1136 CA LEU A 73 -4.693 14.822 10.905 1.00 0.00 C ATOM 1137 C LEU A 73 -4.327 13.595 10.042 1.00 0.00 C ATOM 1138 O LEU A 73 -4.209 12.478 10.546 1.00 0.00 O ATOM 1139 CB LEU A 73 -6.085 14.618 11.514 1.00 0.00 C ATOM 1140 CG LEU A 73 -6.267 15.484 12.770 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -5.692 14.755 13.979 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -5.553 16.829 12.616 1.00 0.00 C ATOM 0 H LEU A 73 -5.636 16.475 9.932 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.942 14.924 11.689 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.849 14.872 10.779 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.224 13.567 11.769 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.333 15.665 12.908 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.821 15.370 14.870 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.213 13.807 14.114 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.630 14.566 13.819 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.697 17.423 13.518 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.488 16.660 12.460 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.965 17.364 11.760 1.00 0.00 H new ATOM 1154 N GLN A 74 -4.148 13.767 8.754 1.00 0.00 N ATOM 1155 CA GLN A 74 -3.787 12.604 7.886 1.00 0.00 C ATOM 1156 C GLN A 74 -2.313 12.224 8.108 1.00 0.00 C ATOM 1157 O GLN A 74 -1.891 11.111 7.795 1.00 0.00 O ATOM 1158 CB GLN A 74 -4.007 12.977 6.416 1.00 0.00 C ATOM 1159 CG GLN A 74 -5.388 12.486 5.964 1.00 0.00 C ATOM 1160 CD GLN A 74 -5.257 11.136 5.258 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -5.487 11.032 4.062 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -4.902 10.087 5.935 1.00 0.00 N ATOM 0 H GLN A 74 -4.236 14.660 8.269 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.417 11.753 8.144 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.934 14.057 6.289 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -3.230 12.530 5.796 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -6.050 12.393 6.825 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -5.840 13.215 5.292 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -4.708 10.166 6.933 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -4.817 9.184 5.469 1.00 0.00 H new ATOM 1171 N LYS A 75 -1.524 13.125 8.639 1.00 0.00 N ATOM 1172 CA LYS A 75 -0.082 12.819 8.885 1.00 0.00 C ATOM 1173 C LYS A 75 0.167 12.612 10.389 1.00 0.00 C ATOM 1174 O LYS A 75 1.070 11.875 10.782 1.00 0.00 O ATOM 1175 CB LYS A 75 0.772 13.981 8.367 1.00 0.00 C ATOM 1176 CG LYS A 75 1.190 13.695 6.922 1.00 0.00 C ATOM 1177 CD LYS A 75 2.170 14.770 6.445 1.00 0.00 C ATOM 1178 CE LYS A 75 2.726 14.381 5.075 1.00 0.00 C ATOM 1179 NZ LYS A 75 3.582 15.490 4.557 1.00 0.00 N ATOM 0 H LYS A 75 -1.818 14.062 8.913 1.00 0.00 H new ATOM 0 HA LYS A 75 0.190 11.903 8.360 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.208 14.913 8.417 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.654 14.108 8.995 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.654 12.711 6.856 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.312 13.677 6.276 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.667 15.735 6.384 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.984 14.879 7.162 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.308 13.463 5.153 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.909 14.182 4.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.962 15.229 3.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.013 16.356 4.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.368 15.659 5.217 1.00 0.00 H new ATOM 1193 N LEU A 76 -0.607 13.253 11.228 1.00 0.00 N ATOM 1194 CA LEU A 76 -0.429 13.108 12.696 1.00 0.00 C ATOM 1195 C LEU A 76 -1.738 12.577 13.325 1.00 0.00 C ATOM 1196 O LEU A 76 -1.721 11.471 13.847 1.00 0.00 O ATOM 1197 CB LEU A 76 -0.080 14.484 13.273 1.00 0.00 C ATOM 1198 CG LEU A 76 1.309 14.916 12.790 1.00 0.00 C ATOM 1199 CD1 LEU A 76 1.506 16.407 13.058 1.00 0.00 C ATOM 1200 CD2 LEU A 76 2.381 14.128 13.539 1.00 0.00 C ATOM 1201 OXT LEU A 76 -2.741 13.277 13.266 1.00 0.00 O ATOM 0 H LEU A 76 -1.364 13.878 10.950 1.00 0.00 H new ATOM 0 HA LEU A 76 0.371 12.402 12.918 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.826 15.217 12.965 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.100 14.447 14.362 1.00 0.00 H new ATOM 0 HG LEU A 76 1.391 14.722 11.721 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.494 16.711 12.714 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.745 16.976 12.525 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.420 16.599 14.127 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.368 14.437 13.194 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.294 14.321 14.608 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.248 13.063 13.350 1.00 0.00 H new