USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 583 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 97 CYS SG : rot -180:sc= 0.196 USER MOD Set 1.2: A 100 CYS SG : rot 149:sc= 0.325 USER MOD Set 1.3: A 113 HIS : no HE2:sc= 0.555 K(o=2,f=0.22) USER MOD Set 1.4: A 119 HIS : no HE2:sc=0.000875 X(o=2,f=1.9) USER MOD Set 1.5: A 122 ASN : amide:sc= 0.925 K(o=2,f=0.99) USER MOD Set 2.1: A 36 CYS SG : rot -132:sc= 0.139 USER MOD Set 2.2: A 39 CYS SG : rot 137:sc= -0.898 USER MOD Set 2.3: A 52 HIS : no HE2:sc= -0.645 X(o=-1.5,f=-1.6) USER MOD Set 2.4: A 58 HIS : no HD1:sc= -0.0872 X(o=-1.5,f=-1.9) USER MOD Single : A 17 LYS NZ :NH3+ -155:sc= 1.25 (180deg=0.171) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 81:sc= 0.501 USER MOD Single : A 27 ASN : amide:sc= 0.564 K(o=0.56,f=-0.0083) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= 0.266 K(o=0.27,f=-3!) USER MOD Single : A 32 SER OG : rot -46:sc= 1.02 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 19:sc= 0.532 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0905 X(o=-0.09,f=-0.09) USER MOD Single : A 49 LYS NZ :NH3+ -144:sc= 2.47 (180deg=0.87) USER MOD Single : A 53 TYR OH : rot -165:sc= 0.832 USER MOD Single : A 54 GLN : amide:sc= 0.814 K(o=0.81,f=0) USER MOD Single : A 55 SER OG : rot 70:sc= 1.26 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 33:sc= 0.0173 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 102 MET CE :methyl -179:sc=-0.000239 (180deg=-0.00312) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0.00454 USER MOD Single : A 106 SER OG : rot 180:sc= 0.019 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00768) USER MOD Single : A 118 THR OG1 : rot 180:sc=0.000721 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 188 N GLY A 16 -17.905 8.094 14.845 1.00 1.00 N ATOM 189 CA GLY A 16 -17.955 7.629 16.234 1.00 1.00 C ATOM 190 C GLY A 16 -16.969 6.493 16.522 1.00 1.00 C ATOM 191 O GLY A 16 -16.488 5.825 15.602 1.00 1.00 O ATOM 0 HA2 GLY A 16 -17.741 8.466 16.899 1.00 1.00 H new ATOM 0 HA3 GLY A 16 -18.966 7.291 16.462 1.00 1.00 H new ATOM 195 N LYS A 17 -16.676 6.261 17.807 1.00 1.00 N ATOM 196 CA LYS A 17 -15.741 5.222 18.283 1.00 1.00 C ATOM 197 C LYS A 17 -16.104 3.817 17.792 1.00 1.00 C ATOM 198 O LYS A 17 -15.226 3.069 17.368 1.00 1.00 O ATOM 199 CB LYS A 17 -15.656 5.309 19.817 1.00 1.00 C ATOM 200 CG LYS A 17 -14.615 4.349 20.414 1.00 1.00 C ATOM 201 CD LYS A 17 -14.240 4.776 21.839 1.00 1.00 C ATOM 202 CE LYS A 17 -13.045 3.963 22.348 1.00 1.00 C ATOM 203 NZ LYS A 17 -12.622 4.407 23.701 1.00 1.00 N ATOM 0 H LYS A 17 -17.090 6.801 18.567 1.00 1.00 H new ATOM 0 HA LYS A 17 -14.756 5.412 17.855 1.00 1.00 H new ATOM 0 HB2 LYS A 17 -15.408 6.331 20.105 1.00 1.00 H new ATOM 0 HB3 LYS A 17 -16.634 5.087 20.243 1.00 1.00 H new ATOM 0 HG2 LYS A 17 -15.013 3.334 20.426 1.00 1.00 H new ATOM 0 HG3 LYS A 17 -13.724 4.335 19.787 1.00 1.00 H new ATOM 0 HD2 LYS A 17 -13.997 5.838 21.854 1.00 1.00 H new ATOM 0 HD3 LYS A 17 -15.093 4.635 22.503 1.00 1.00 H new ATOM 0 HE2 LYS A 17 -13.308 2.906 22.377 1.00 1.00 H new ATOM 0 HE3 LYS A 17 -12.211 4.065 21.653 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 -11.619 4.174 23.845 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 -12.754 5.435 23.786 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 -13.196 3.923 24.420 1.00 1.00 H new ATOM 217 N ASP A 18 -17.393 3.474 17.798 1.00 1.00 N ATOM 218 CA ASP A 18 -17.900 2.181 17.314 1.00 1.00 C ATOM 219 C ASP A 18 -17.642 1.984 15.810 1.00 1.00 C ATOM 220 O ASP A 18 -17.239 0.897 15.388 1.00 1.00 O ATOM 221 CB ASP A 18 -19.403 2.070 17.608 1.00 1.00 C ATOM 222 CG ASP A 18 -19.696 2.025 19.116 1.00 1.00 C ATOM 223 OD1 ASP A 18 -19.577 0.936 19.725 1.00 1.00 O ATOM 224 OD2 ASP A 18 -20.050 3.081 19.695 1.00 1.00 O ATOM 0 H ASP A 18 -18.127 4.092 18.143 1.00 1.00 H new ATOM 0 HA ASP A 18 -17.360 1.395 17.843 1.00 1.00 H new ATOM 0 HB2 ASP A 18 -19.922 2.919 17.164 1.00 1.00 H new ATOM 0 HB3 ASP A 18 -19.799 1.171 17.135 1.00 1.00 H new ATOM 229 N ALA A 19 -17.821 3.038 15.002 1.00 1.00 N ATOM 230 CA ALA A 19 -17.553 3.002 13.564 1.00 1.00 C ATOM 231 C ALA A 19 -16.051 2.845 13.286 1.00 1.00 C ATOM 232 O ALA A 19 -15.670 2.025 12.454 1.00 1.00 O ATOM 233 CB ALA A 19 -18.115 4.264 12.899 1.00 1.00 C ATOM 0 H ALA A 19 -18.158 3.942 15.333 1.00 1.00 H new ATOM 0 HA ALA A 19 -18.052 2.133 13.135 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -17.913 4.232 11.828 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -19.191 4.313 13.064 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -17.641 5.145 13.332 1.00 1.00 H new ATOM 239 N VAL A 20 -15.190 3.582 14.004 1.00 1.00 N ATOM 240 CA VAL A 20 -13.725 3.463 13.872 1.00 1.00 C ATOM 241 C VAL A 20 -13.262 2.054 14.265 1.00 1.00 C ATOM 242 O VAL A 20 -12.500 1.430 13.528 1.00 1.00 O ATOM 243 CB VAL A 20 -12.992 4.539 14.698 1.00 1.00 C ATOM 244 CG1 VAL A 20 -11.474 4.328 14.672 1.00 1.00 C ATOM 245 CG2 VAL A 20 -13.272 5.941 14.142 1.00 1.00 C ATOM 0 H VAL A 20 -15.486 4.276 14.691 1.00 1.00 H new ATOM 0 HA VAL A 20 -13.469 3.629 12.826 1.00 1.00 H new ATOM 0 HB VAL A 20 -13.363 4.451 15.719 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -10.989 5.104 15.264 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -11.235 3.350 15.090 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -11.117 4.380 13.643 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -12.744 6.682 14.742 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -12.928 5.998 13.109 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -14.343 6.140 14.180 1.00 1.00 H new ATOM 255 N ASN A 21 -13.753 1.516 15.386 1.00 1.00 N ATOM 256 CA ASN A 21 -13.438 0.161 15.836 1.00 1.00 C ATOM 257 C ASN A 21 -13.849 -0.890 14.787 1.00 1.00 C ATOM 258 O ASN A 21 -13.060 -1.775 14.456 1.00 1.00 O ATOM 259 CB ASN A 21 -14.129 -0.048 17.193 1.00 1.00 C ATOM 260 CG ASN A 21 -13.995 -1.473 17.694 1.00 1.00 C ATOM 261 OD1 ASN A 21 -12.947 -1.906 18.151 1.00 1.00 O ATOM 262 ND2 ASN A 21 -15.055 -2.243 17.610 1.00 1.00 N ATOM 0 H ASN A 21 -14.386 2.016 16.011 1.00 1.00 H new ATOM 0 HA ASN A 21 -12.362 0.036 15.958 1.00 1.00 H new ATOM 0 HB2 ASN A 21 -13.699 0.634 17.926 1.00 1.00 H new ATOM 0 HB3 ASN A 21 -15.185 0.205 17.103 1.00 1.00 H new ATOM 0 HD21 ASN A 21 -15.008 -3.211 17.927 1.00 1.00 H new ATOM 0 HD22 ASN A 21 -15.925 -1.873 17.227 1.00 1.00 H new ATOM 269 N SER A 22 -15.056 -0.766 14.222 1.00 1.00 N ATOM 270 CA SER A 22 -15.551 -1.660 13.164 1.00 1.00 C ATOM 271 C SER A 22 -14.716 -1.548 11.882 1.00 1.00 C ATOM 272 O SER A 22 -14.346 -2.563 11.294 1.00 1.00 O ATOM 273 CB SER A 22 -17.019 -1.354 12.849 1.00 1.00 C ATOM 274 OG SER A 22 -17.837 -1.633 13.978 1.00 1.00 O ATOM 0 H SER A 22 -15.721 -0.039 14.486 1.00 1.00 H new ATOM 0 HA SER A 22 -15.462 -2.680 13.537 1.00 1.00 H new ATOM 0 HB2 SER A 22 -17.126 -0.307 12.564 1.00 1.00 H new ATOM 0 HB3 SER A 22 -17.347 -1.951 11.998 1.00 1.00 H new ATOM 0 HG SER A 22 -17.786 -0.887 14.611 1.00 1.00 H new ATOM 280 N LEU A 23 -14.364 -0.327 11.465 1.00 1.00 N ATOM 281 CA LEU A 23 -13.528 -0.060 10.290 1.00 1.00 C ATOM 282 C LEU A 23 -12.151 -0.729 10.418 1.00 1.00 C ATOM 283 O LEU A 23 -11.694 -1.363 9.466 1.00 1.00 O ATOM 284 CB LEU A 23 -13.436 1.468 10.117 1.00 1.00 C ATOM 285 CG LEU A 23 -12.683 1.958 8.870 1.00 1.00 C ATOM 286 CD1 LEU A 23 -13.381 1.538 7.575 1.00 1.00 C ATOM 287 CD2 LEU A 23 -12.628 3.485 8.902 1.00 1.00 C ATOM 0 H LEU A 23 -14.659 0.522 11.946 1.00 1.00 H new ATOM 0 HA LEU A 23 -13.975 -0.494 9.396 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -14.448 1.873 10.089 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -12.950 1.885 10.999 1.00 1.00 H new ATOM 0 HG LEU A 23 -11.688 1.514 8.885 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -12.814 1.906 6.720 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -13.441 0.451 7.530 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -14.387 1.958 7.551 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -12.096 3.848 8.023 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -13.642 3.886 8.904 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -12.107 3.812 9.802 1.00 1.00 H new ATOM 299 N ILE A 24 -11.523 -0.636 11.597 1.00 1.00 N ATOM 300 CA ILE A 24 -10.247 -1.298 11.906 1.00 1.00 C ATOM 301 C ILE A 24 -10.426 -2.827 11.881 1.00 1.00 C ATOM 302 O ILE A 24 -9.644 -3.522 11.233 1.00 1.00 O ATOM 303 CB ILE A 24 -9.696 -0.819 13.273 1.00 1.00 C ATOM 304 CG1 ILE A 24 -9.292 0.675 13.230 1.00 1.00 C ATOM 305 CG2 ILE A 24 -8.481 -1.662 13.708 1.00 1.00 C ATOM 306 CD1 ILE A 24 -9.125 1.287 14.629 1.00 1.00 C ATOM 0 H ILE A 24 -11.892 -0.090 12.376 1.00 1.00 H new ATOM 0 HA ILE A 24 -9.517 -1.026 11.144 1.00 1.00 H new ATOM 0 HB ILE A 24 -10.499 -0.945 13.999 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -8.357 0.778 12.679 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -10.049 1.236 12.681 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -8.115 -1.304 14.670 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -8.777 -2.707 13.799 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -7.690 -1.572 12.963 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -8.842 2.335 14.536 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -10.066 1.213 15.173 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -8.348 0.748 15.172 1.00 1.00 H new ATOM 318 N ARG A 25 -11.458 -3.356 12.556 1.00 1.00 N ATOM 319 CA ARG A 25 -11.768 -4.798 12.637 1.00 1.00 C ATOM 320 C ARG A 25 -11.963 -5.439 11.256 1.00 1.00 C ATOM 321 O ARG A 25 -11.373 -6.484 10.978 1.00 1.00 O ATOM 322 CB ARG A 25 -13.011 -4.961 13.530 1.00 1.00 C ATOM 323 CG ARG A 25 -13.433 -6.411 13.779 1.00 1.00 C ATOM 324 CD ARG A 25 -14.752 -6.494 14.562 1.00 1.00 C ATOM 325 NE ARG A 25 -15.861 -5.913 13.781 1.00 1.00 N ATOM 326 CZ ARG A 25 -16.817 -5.111 14.203 1.00 1.00 C ATOM 327 NH1 ARG A 25 -17.034 -4.868 15.465 1.00 1.00 N ATOM 328 NH2 ARG A 25 -17.570 -4.502 13.342 1.00 1.00 N ATOM 0 H ARG A 25 -12.120 -2.780 13.076 1.00 1.00 H new ATOM 0 HA ARG A 25 -10.921 -5.327 13.074 1.00 1.00 H new ATOM 0 HB2 ARG A 25 -12.817 -4.483 14.490 1.00 1.00 H new ATOM 0 HB3 ARG A 25 -13.844 -4.428 13.071 1.00 1.00 H new ATOM 0 HG2 ARG A 25 -13.543 -6.927 12.825 1.00 1.00 H new ATOM 0 HG3 ARG A 25 -12.649 -6.928 14.332 1.00 1.00 H new ATOM 0 HD2 ARG A 25 -14.974 -7.534 14.800 1.00 1.00 H new ATOM 0 HD3 ARG A 25 -14.652 -5.965 15.510 1.00 1.00 H new ATOM 0 HE ARG A 25 -15.891 -6.163 12.793 1.00 1.00 H new ATOM 0 HH11 ARG A 25 -16.450 -5.307 16.177 1.00 1.00 H new ATOM 0 HH12 ARG A 25 -17.788 -4.239 15.741 1.00 1.00 H new ATOM 0 HH21 ARG A 25 -17.421 -4.645 12.343 1.00 1.00 H new ATOM 0 HH22 ARG A 25 -18.312 -3.880 13.663 1.00 1.00 H new ATOM 342 N GLU A 26 -12.749 -4.814 10.380 1.00 1.00 N ATOM 343 CA GLU A 26 -13.009 -5.282 9.016 1.00 1.00 C ATOM 344 C GLU A 26 -11.808 -5.125 8.057 1.00 1.00 C ATOM 345 O GLU A 26 -11.804 -5.739 6.987 1.00 1.00 O ATOM 346 CB GLU A 26 -14.229 -4.524 8.458 1.00 1.00 C ATOM 347 CG GLU A 26 -15.569 -5.201 8.774 1.00 1.00 C ATOM 348 CD GLU A 26 -15.975 -5.228 10.259 1.00 1.00 C ATOM 349 OE1 GLU A 26 -15.521 -6.124 11.008 1.00 1.00 O ATOM 350 OE2 GLU A 26 -16.836 -4.421 10.680 1.00 1.00 O ATOM 0 H GLU A 26 -13.236 -3.946 10.604 1.00 1.00 H new ATOM 0 HA GLU A 26 -13.200 -6.353 9.077 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -14.237 -3.514 8.867 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -14.125 -4.430 7.377 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -16.352 -4.692 8.212 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -15.530 -6.227 8.409 1.00 1.00 H new ATOM 357 N ASN A 27 -10.796 -4.320 8.412 1.00 1.00 N ATOM 358 CA ASN A 27 -9.626 -4.031 7.571 1.00 1.00 C ATOM 359 C ASN A 27 -8.277 -4.159 8.315 1.00 1.00 C ATOM 360 O ASN A 27 -7.364 -3.352 8.116 1.00 1.00 O ATOM 361 CB ASN A 27 -9.806 -2.645 6.932 1.00 1.00 C ATOM 362 CG ASN A 27 -11.037 -2.532 6.055 1.00 1.00 C ATOM 363 OD1 ASN A 27 -11.032 -2.909 4.891 1.00 1.00 O ATOM 364 ND2 ASN A 27 -12.117 -2.007 6.583 1.00 1.00 N ATOM 0 H ASN A 27 -10.768 -3.841 9.312 1.00 1.00 H new ATOM 0 HA ASN A 27 -9.576 -4.792 6.792 1.00 1.00 H new ATOM 0 HB2 ASN A 27 -9.864 -1.896 7.722 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -8.924 -2.413 6.336 1.00 1.00 H new ATOM 0 HD21 ASN A 27 -12.963 -1.910 6.022 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -12.110 -1.696 7.554 1.00 1.00 H new ATOM 371 N SER A 28 -8.138 -5.171 9.178 1.00 1.00 N ATOM 372 CA SER A 28 -6.929 -5.435 9.984 1.00 1.00 C ATOM 373 C SER A 28 -5.614 -5.552 9.187 1.00 1.00 C ATOM 374 O SER A 28 -4.526 -5.394 9.748 1.00 1.00 O ATOM 375 CB SER A 28 -7.142 -6.691 10.839 1.00 1.00 C ATOM 376 OG SER A 28 -7.392 -7.824 10.019 1.00 1.00 O ATOM 0 H SER A 28 -8.880 -5.851 9.344 1.00 1.00 H new ATOM 0 HA SER A 28 -6.800 -4.551 10.608 1.00 1.00 H new ATOM 0 HB2 SER A 28 -6.261 -6.870 11.456 1.00 1.00 H new ATOM 0 HB3 SER A 28 -7.980 -6.536 11.518 1.00 1.00 H new ATOM 0 HG SER A 28 -7.523 -8.614 10.584 1.00 1.00 H new ATOM 382 N HIS A 29 -5.696 -5.799 7.876 1.00 1.00 N ATOM 383 CA HIS A 29 -4.574 -5.888 6.933 1.00 1.00 C ATOM 384 C HIS A 29 -4.002 -4.521 6.502 1.00 1.00 C ATOM 385 O HIS A 29 -2.898 -4.478 5.956 1.00 1.00 O ATOM 386 CB HIS A 29 -5.036 -6.688 5.702 1.00 1.00 C ATOM 387 CG HIS A 29 -6.226 -6.101 4.972 1.00 1.00 C ATOM 388 ND1 HIS A 29 -7.509 -5.935 5.509 1.00 1.00 N ATOM 389 CD2 HIS A 29 -6.243 -5.699 3.666 1.00 1.00 C ATOM 390 CE1 HIS A 29 -8.263 -5.435 4.518 1.00 1.00 C ATOM 391 NE2 HIS A 29 -7.530 -5.280 3.406 1.00 1.00 N ATOM 0 H HIS A 29 -6.595 -5.951 7.418 1.00 1.00 H new ATOM 0 HA HIS A 29 -3.756 -6.391 7.448 1.00 1.00 H new ATOM 0 HB2 HIS A 29 -4.203 -6.767 5.004 1.00 1.00 H new ATOM 0 HB3 HIS A 29 -5.285 -7.701 6.017 1.00 1.00 H new ATOM 0 HD2 HIS A 29 -5.413 -5.708 2.975 1.00 1.00 H new ATOM 0 HE1 HIS A 29 -9.312 -5.192 4.604 1.00 1.00 H new ATOM 0 HE2 HIS A 29 -7.868 -4.913 2.516 1.00 1.00 H new ATOM 399 N ILE A 30 -4.722 -3.416 6.742 1.00 1.00 N ATOM 400 CA ILE A 30 -4.313 -2.040 6.376 1.00 1.00 C ATOM 401 C ILE A 30 -4.532 -0.990 7.481 1.00 1.00 C ATOM 402 O ILE A 30 -3.867 0.047 7.464 1.00 1.00 O ATOM 403 CB ILE A 30 -4.989 -1.577 5.062 1.00 1.00 C ATOM 404 CG1 ILE A 30 -6.529 -1.703 5.116 1.00 1.00 C ATOM 405 CG2 ILE A 30 -4.393 -2.320 3.855 1.00 1.00 C ATOM 406 CD1 ILE A 30 -7.260 -1.101 3.909 1.00 1.00 C ATOM 0 H ILE A 30 -5.629 -3.448 7.208 1.00 1.00 H new ATOM 0 HA ILE A 30 -3.235 -2.106 6.230 1.00 1.00 H new ATOM 0 HB ILE A 30 -4.778 -0.515 4.941 1.00 1.00 H new ATOM 0 HG12 ILE A 30 -6.792 -2.758 5.195 1.00 1.00 H new ATOM 0 HG13 ILE A 30 -6.889 -1.216 6.022 1.00 1.00 H new ATOM 0 HG21 ILE A 30 -4.881 -1.981 2.941 1.00 1.00 H new ATOM 0 HG22 ILE A 30 -3.324 -2.115 3.793 1.00 1.00 H new ATOM 0 HG23 ILE A 30 -4.550 -3.392 3.974 1.00 1.00 H new ATOM 0 HD11 ILE A 30 -8.335 -1.234 4.031 1.00 1.00 H new ATOM 0 HD12 ILE A 30 -7.032 -0.037 3.839 1.00 1.00 H new ATOM 0 HD13 ILE A 30 -6.933 -1.603 2.998 1.00 1.00 H new ATOM 418 N PHE A 31 -5.407 -1.246 8.454 1.00 1.00 N ATOM 419 CA PHE A 31 -5.689 -0.369 9.597 1.00 1.00 C ATOM 420 C PHE A 31 -5.472 -1.150 10.901 1.00 1.00 C ATOM 421 O PHE A 31 -5.699 -2.361 10.958 1.00 1.00 O ATOM 422 CB PHE A 31 -7.146 0.133 9.547 1.00 1.00 C ATOM 423 CG PHE A 31 -7.650 0.781 8.267 1.00 1.00 C ATOM 424 CD1 PHE A 31 -6.805 1.515 7.410 1.00 1.00 C ATOM 425 CD2 PHE A 31 -9.009 0.641 7.933 1.00 1.00 C ATOM 426 CE1 PHE A 31 -7.299 2.018 6.192 1.00 1.00 C ATOM 427 CE2 PHE A 31 -9.505 1.141 6.718 1.00 1.00 C ATOM 428 CZ PHE A 31 -8.644 1.813 5.838 1.00 1.00 C ATOM 0 H PHE A 31 -5.961 -2.102 8.471 1.00 1.00 H new ATOM 0 HA PHE A 31 -5.017 0.488 9.555 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -7.796 -0.714 9.767 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.276 0.852 10.355 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -5.777 1.692 7.689 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -9.679 0.143 8.619 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -6.644 2.562 5.528 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -10.546 1.009 6.462 1.00 1.00 H new ATOM 0 HZ PHE A 31 -9.014 2.173 4.889 1.00 1.00 H new ATOM 438 N SER A 32 -5.046 -0.467 11.962 1.00 1.00 N ATOM 439 CA SER A 32 -4.805 -1.073 13.278 1.00 1.00 C ATOM 440 C SER A 32 -4.992 -0.076 14.425 1.00 1.00 C ATOM 441 O SER A 32 -5.146 1.132 14.220 1.00 1.00 O ATOM 442 CB SER A 32 -3.400 -1.694 13.326 1.00 1.00 C ATOM 443 OG SER A 32 -2.403 -0.692 13.361 1.00 1.00 O ATOM 0 H SER A 32 -4.855 0.535 11.936 1.00 1.00 H new ATOM 0 HA SER A 32 -5.551 -1.856 13.415 1.00 1.00 H new ATOM 0 HB2 SER A 32 -3.310 -2.332 14.205 1.00 1.00 H new ATOM 0 HB3 SER A 32 -3.250 -2.331 12.454 1.00 1.00 H new ATOM 0 HG SER A 32 -2.601 -0.010 12.686 1.00 1.00 H new ATOM 449 N ASP A 33 -4.957 -0.592 15.655 1.00 1.00 N ATOM 450 CA ASP A 33 -5.090 0.177 16.896 1.00 1.00 C ATOM 451 C ASP A 33 -3.997 1.251 17.098 1.00 1.00 C ATOM 452 O ASP A 33 -4.195 2.183 17.879 1.00 1.00 O ATOM 453 CB ASP A 33 -5.076 -0.830 18.057 1.00 1.00 C ATOM 454 CG ASP A 33 -5.429 -0.187 19.405 1.00 1.00 C ATOM 455 OD1 ASP A 33 -6.555 0.350 19.522 1.00 1.00 O ATOM 456 OD2 ASP A 33 -4.614 -0.264 20.355 1.00 1.00 O ATOM 0 H ASP A 33 -4.831 -1.590 15.821 1.00 1.00 H new ATOM 0 HA ASP A 33 -6.023 0.738 16.850 1.00 1.00 H new ATOM 0 HB2 ASP A 33 -5.784 -1.632 17.845 1.00 1.00 H new ATOM 0 HB3 ASP A 33 -4.088 -1.286 18.125 1.00 1.00 H new ATOM 461 N THR A 34 -2.850 1.128 16.412 1.00 1.00 N ATOM 462 CA THR A 34 -1.688 2.030 16.557 1.00 1.00 C ATOM 463 C THR A 34 -1.042 2.500 15.244 1.00 1.00 C ATOM 464 O THR A 34 -0.052 3.230 15.296 1.00 1.00 O ATOM 465 CB THR A 34 -0.604 1.392 17.450 1.00 1.00 C ATOM 466 OG1 THR A 34 -0.205 0.141 16.925 1.00 1.00 O ATOM 467 CG2 THR A 34 -1.075 1.169 18.887 1.00 1.00 C ATOM 0 H THR A 34 -2.698 0.387 15.728 1.00 1.00 H new ATOM 0 HA THR A 34 -2.107 2.923 17.021 1.00 1.00 H new ATOM 0 HB THR A 34 0.228 2.096 17.461 1.00 1.00 H new ATOM 0 HG1 THR A 34 0.484 -0.251 17.501 1.00 1.00 H new ATOM 0 HG21 THR A 34 -0.270 0.718 19.468 1.00 1.00 H new ATOM 0 HG22 THR A 34 -1.352 2.125 19.332 1.00 1.00 H new ATOM 0 HG23 THR A 34 -1.939 0.505 18.888 1.00 1.00 H new ATOM 475 N GLN A 35 -1.561 2.137 14.063 1.00 1.00 N ATOM 476 CA GLN A 35 -0.998 2.555 12.766 1.00 1.00 C ATOM 477 C GLN A 35 -1.989 2.397 11.594 1.00 1.00 C ATOM 478 O GLN A 35 -2.752 1.432 11.544 1.00 1.00 O ATOM 479 CB GLN A 35 0.264 1.701 12.493 1.00 1.00 C ATOM 480 CG GLN A 35 1.117 2.181 11.306 1.00 1.00 C ATOM 481 CD GLN A 35 2.392 1.356 11.116 1.00 1.00 C ATOM 482 OE1 GLN A 35 2.435 0.147 11.310 1.00 1.00 O ATOM 483 NE2 GLN A 35 3.488 1.972 10.722 1.00 1.00 N ATOM 0 H GLN A 35 -2.386 1.543 13.977 1.00 1.00 H new ATOM 0 HA GLN A 35 -0.761 3.617 12.830 1.00 1.00 H new ATOM 0 HB2 GLN A 35 0.884 1.695 13.390 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -0.043 0.671 12.310 1.00 1.00 H new ATOM 0 HG2 GLN A 35 0.521 2.134 10.395 1.00 1.00 H new ATOM 0 HG3 GLN A 35 1.386 3.226 11.458 1.00 1.00 H new ATOM 0 HE21 GLN A 35 3.475 2.978 10.554 1.00 1.00 H new ATOM 0 HE22 GLN A 35 4.349 1.443 10.585 1.00 1.00 H new ATOM 492 N CYS A 36 -1.913 3.301 10.613 1.00 1.00 N ATOM 493 CA CYS A 36 -2.680 3.251 9.359 1.00 1.00 C ATOM 494 C CYS A 36 -1.710 3.120 8.173 1.00 1.00 C ATOM 495 O CYS A 36 -0.921 4.033 7.916 1.00 1.00 O ATOM 496 CB CYS A 36 -3.533 4.516 9.199 1.00 1.00 C ATOM 497 SG CYS A 36 -4.502 4.531 7.668 1.00 1.00 S ATOM 0 H CYS A 36 -1.298 4.113 10.668 1.00 1.00 H new ATOM 0 HA CYS A 36 -3.345 2.388 9.385 1.00 1.00 H new ATOM 0 HB2 CYS A 36 -4.208 4.602 10.050 1.00 1.00 H new ATOM 0 HB3 CYS A 36 -2.883 5.390 9.219 1.00 1.00 H new ATOM 0 HG CYS A 36 -4.360 5.680 7.076 1.00 1.00 H new ATOM 502 N LYS A 37 -1.746 1.998 7.443 1.00 1.00 N ATOM 503 CA LYS A 37 -0.877 1.702 6.302 1.00 1.00 C ATOM 504 C LYS A 37 -1.220 2.492 5.035 1.00 1.00 C ATOM 505 O LYS A 37 -0.307 2.959 4.359 1.00 1.00 O ATOM 506 CB LYS A 37 -0.968 0.189 6.069 1.00 1.00 C ATOM 507 CG LYS A 37 0.203 -0.294 5.225 1.00 1.00 C ATOM 508 CD LYS A 37 0.201 -1.822 5.132 1.00 1.00 C ATOM 509 CE LYS A 37 1.367 -2.310 4.264 1.00 1.00 C ATOM 510 NZ LYS A 37 1.395 -3.794 4.173 1.00 1.00 N ATOM 0 H LYS A 37 -2.406 1.245 7.640 1.00 1.00 H new ATOM 0 HA LYS A 37 0.141 2.014 6.534 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -0.973 -0.332 7.026 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -1.907 -0.052 5.570 1.00 1.00 H new ATOM 0 HG2 LYS A 37 0.141 0.137 4.226 1.00 1.00 H new ATOM 0 HG3 LYS A 37 1.141 0.049 5.663 1.00 1.00 H new ATOM 0 HD2 LYS A 37 0.278 -2.253 6.130 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -0.743 -2.165 4.709 1.00 1.00 H new ATOM 0 HE2 LYS A 37 1.280 -1.885 3.264 1.00 1.00 H new ATOM 0 HE3 LYS A 37 2.308 -1.952 4.682 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 2.196 -4.090 3.579 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 1.502 -4.198 5.125 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 0.507 -4.133 3.751 1.00 1.00 H new ATOM 524 N VAL A 38 -2.508 2.701 4.732 1.00 1.00 N ATOM 525 CA VAL A 38 -2.954 3.495 3.557 1.00 1.00 C ATOM 526 C VAL A 38 -2.378 4.915 3.600 1.00 1.00 C ATOM 527 O VAL A 38 -1.940 5.448 2.580 1.00 1.00 O ATOM 528 CB VAL A 38 -4.494 3.544 3.461 1.00 1.00 C ATOM 529 CG1 VAL A 38 -5.003 4.520 2.391 1.00 1.00 C ATOM 530 CG2 VAL A 38 -5.048 2.157 3.116 1.00 1.00 C ATOM 0 H VAL A 38 -3.278 2.329 5.288 1.00 1.00 H new ATOM 0 HA VAL A 38 -2.575 2.995 2.666 1.00 1.00 H new ATOM 0 HB VAL A 38 -4.840 3.885 4.437 1.00 1.00 H new ATOM 0 HG11 VAL A 38 -6.093 4.507 2.375 1.00 1.00 H new ATOM 0 HG12 VAL A 38 -4.656 5.527 2.622 1.00 1.00 H new ATOM 0 HG13 VAL A 38 -4.622 4.220 1.415 1.00 1.00 H new ATOM 0 HG21 VAL A 38 -6.135 2.205 3.051 1.00 1.00 H new ATOM 0 HG22 VAL A 38 -4.642 1.831 2.159 1.00 1.00 H new ATOM 0 HG23 VAL A 38 -4.762 1.447 3.892 1.00 1.00 H new ATOM 540 N CYS A 39 -2.342 5.509 4.794 1.00 1.00 N ATOM 541 CA CYS A 39 -1.802 6.841 5.050 1.00 1.00 C ATOM 542 C CYS A 39 -0.348 6.802 5.570 1.00 1.00 C ATOM 543 O CYS A 39 0.225 7.853 5.854 1.00 1.00 O ATOM 544 CB CYS A 39 -2.757 7.499 6.045 1.00 1.00 C ATOM 545 SG CYS A 39 -4.465 7.593 5.431 1.00 1.00 S ATOM 0 H CYS A 39 -2.701 5.059 5.636 1.00 1.00 H new ATOM 0 HA CYS A 39 -1.741 7.417 4.127 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -2.743 6.938 6.980 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -2.402 8.504 6.271 1.00 1.00 H new ATOM 0 HG CYS A 39 -5.287 7.262 6.382 1.00 1.00 H new ATOM 550 N SER A 40 0.230 5.595 5.702 1.00 1.00 N ATOM 551 CA SER A 40 1.568 5.271 6.231 1.00 1.00 C ATOM 552 C SER A 40 1.973 6.163 7.416 1.00 1.00 C ATOM 553 O SER A 40 3.000 6.848 7.396 1.00 1.00 O ATOM 554 CB SER A 40 2.614 5.263 5.106 1.00 1.00 C ATOM 555 OG SER A 40 2.412 4.165 4.228 1.00 1.00 O ATOM 0 H SER A 40 -0.267 4.751 5.418 1.00 1.00 H new ATOM 0 HA SER A 40 1.521 4.261 6.638 1.00 1.00 H new ATOM 0 HB2 SER A 40 2.557 6.196 4.546 1.00 1.00 H new ATOM 0 HB3 SER A 40 3.614 5.210 5.536 1.00 1.00 H new ATOM 0 HG SER A 40 1.498 3.826 4.333 1.00 1.00 H new ATOM 561 N ALA A 41 1.122 6.169 8.446 1.00 1.00 N ATOM 562 CA ALA A 41 1.262 7.000 9.645 1.00 1.00 C ATOM 563 C ALA A 41 0.955 6.235 10.942 1.00 1.00 C ATOM 564 O ALA A 41 0.064 5.382 10.988 1.00 1.00 O ATOM 565 CB ALA A 41 0.335 8.215 9.492 1.00 1.00 C ATOM 0 H ALA A 41 0.291 5.578 8.469 1.00 1.00 H new ATOM 0 HA ALA A 41 2.302 7.317 9.730 1.00 1.00 H new ATOM 0 HB1 ALA A 41 0.420 8.851 10.373 1.00 1.00 H new ATOM 0 HB2 ALA A 41 0.621 8.782 8.606 1.00 1.00 H new ATOM 0 HB3 ALA A 41 -0.696 7.876 9.388 1.00 1.00 H new ATOM 571 N VAL A 42 1.690 6.563 12.008 1.00 1.00 N ATOM 572 CA VAL A 42 1.547 5.966 13.348 1.00 1.00 C ATOM 573 C VAL A 42 0.495 6.738 14.156 1.00 1.00 C ATOM 574 O VAL A 42 0.335 7.951 14.013 1.00 1.00 O ATOM 575 CB VAL A 42 2.912 5.940 14.075 1.00 1.00 C ATOM 576 CG1 VAL A 42 2.848 5.288 15.463 1.00 1.00 C ATOM 577 CG2 VAL A 42 3.949 5.145 13.265 1.00 1.00 C ATOM 0 H VAL A 42 2.423 7.271 11.966 1.00 1.00 H new ATOM 0 HA VAL A 42 1.207 4.935 13.247 1.00 1.00 H new ATOM 0 HB VAL A 42 3.195 6.987 14.180 1.00 1.00 H new ATOM 0 HG11 VAL A 42 3.838 5.303 15.918 1.00 1.00 H new ATOM 0 HG12 VAL A 42 2.151 5.841 16.093 1.00 1.00 H new ATOM 0 HG13 VAL A 42 2.509 4.257 15.365 1.00 1.00 H new ATOM 0 HG21 VAL A 42 4.901 5.141 13.797 1.00 1.00 H new ATOM 0 HG22 VAL A 42 3.601 4.120 13.135 1.00 1.00 H new ATOM 0 HG23 VAL A 42 4.081 5.610 12.288 1.00 1.00 H new ATOM 587 N LEU A 43 -0.227 6.014 15.011 1.00 1.00 N ATOM 588 CA LEU A 43 -1.341 6.469 15.848 1.00 1.00 C ATOM 589 C LEU A 43 -1.005 6.164 17.321 1.00 1.00 C ATOM 590 O LEU A 43 -1.519 5.223 17.925 1.00 1.00 O ATOM 591 CB LEU A 43 -2.641 5.798 15.343 1.00 1.00 C ATOM 592 CG LEU A 43 -2.914 5.963 13.833 1.00 1.00 C ATOM 593 CD1 LEU A 43 -4.108 5.117 13.400 1.00 1.00 C ATOM 594 CD2 LEU A 43 -3.182 7.419 13.462 1.00 1.00 C ATOM 0 H LEU A 43 -0.036 5.021 15.148 1.00 1.00 H new ATOM 0 HA LEU A 43 -1.499 7.545 15.781 1.00 1.00 H new ATOM 0 HB2 LEU A 43 -2.597 4.734 15.575 1.00 1.00 H new ATOM 0 HB3 LEU A 43 -3.484 6.211 15.897 1.00 1.00 H new ATOM 0 HG LEU A 43 -2.016 5.627 13.314 1.00 1.00 H new ATOM 0 HD11 LEU A 43 -4.280 5.250 12.332 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -3.903 4.066 13.606 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -4.994 5.429 13.952 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -3.370 7.493 12.391 1.00 1.00 H new ATOM 0 HD22 LEU A 43 -4.053 7.779 14.009 1.00 1.00 H new ATOM 0 HD23 LEU A 43 -2.315 8.026 13.721 1.00 1.00 H new ATOM 606 N ILE A 44 -0.061 6.939 17.866 1.00 1.00 N ATOM 607 CA ILE A 44 0.536 6.791 19.211 1.00 1.00 C ATOM 608 C ILE A 44 -0.437 6.687 20.406 1.00 1.00 C ATOM 609 O ILE A 44 -0.051 6.152 21.447 1.00 1.00 O ATOM 610 CB ILE A 44 1.575 7.911 19.465 1.00 1.00 C ATOM 611 CG1 ILE A 44 0.936 9.321 19.441 1.00 1.00 C ATOM 612 CG2 ILE A 44 2.737 7.792 18.460 1.00 1.00 C ATOM 613 CD1 ILE A 44 1.899 10.447 19.833 1.00 1.00 C ATOM 0 H ILE A 44 0.333 7.731 17.358 1.00 1.00 H new ATOM 0 HA ILE A 44 1.007 5.809 19.174 1.00 1.00 H new ATOM 0 HB ILE A 44 1.973 7.778 20.471 1.00 1.00 H new ATOM 0 HG12 ILE A 44 0.551 9.518 18.440 1.00 1.00 H new ATOM 0 HG13 ILE A 44 0.083 9.334 20.119 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.462 8.584 18.647 1.00 1.00 H new ATOM 0 HG22 ILE A 44 3.221 6.822 18.576 1.00 1.00 H new ATOM 0 HG23 ILE A 44 2.351 7.886 17.445 1.00 1.00 H new ATOM 0 HD11 ILE A 44 1.377 11.403 19.792 1.00 1.00 H new ATOM 0 HD12 ILE A 44 2.265 10.277 20.845 1.00 1.00 H new ATOM 0 HD13 ILE A 44 2.741 10.463 19.141 1.00 1.00 H new ATOM 625 N SER A 45 -1.679 7.162 20.265 1.00 1.00 N ATOM 626 CA SER A 45 -2.722 7.141 21.306 1.00 1.00 C ATOM 627 C SER A 45 -4.111 6.936 20.693 1.00 1.00 C ATOM 628 O SER A 45 -4.336 7.258 19.525 1.00 1.00 O ATOM 629 CB SER A 45 -2.732 8.471 22.079 1.00 1.00 C ATOM 630 OG SER A 45 -1.500 8.707 22.743 1.00 1.00 O ATOM 0 H SER A 45 -2.001 7.587 19.395 1.00 1.00 H new ATOM 0 HA SER A 45 -2.494 6.313 21.977 1.00 1.00 H new ATOM 0 HB2 SER A 45 -2.935 9.290 21.389 1.00 1.00 H new ATOM 0 HB3 SER A 45 -3.542 8.461 22.809 1.00 1.00 H new ATOM 0 HG SER A 45 -1.545 9.561 23.221 1.00 1.00 H new ATOM 636 N GLU A 46 -5.073 6.441 21.478 1.00 1.00 N ATOM 637 CA GLU A 46 -6.457 6.230 21.018 1.00 1.00 C ATOM 638 C GLU A 46 -7.100 7.519 20.482 1.00 1.00 C ATOM 639 O GLU A 46 -7.752 7.478 19.442 1.00 1.00 O ATOM 640 CB GLU A 46 -7.284 5.585 22.139 1.00 1.00 C ATOM 641 CG GLU A 46 -8.719 5.282 21.688 1.00 1.00 C ATOM 642 CD GLU A 46 -9.316 4.113 22.482 1.00 1.00 C ATOM 643 OE1 GLU A 46 -9.862 4.330 23.591 1.00 1.00 O ATOM 644 OE2 GLU A 46 -9.271 2.971 21.969 1.00 1.00 O ATOM 0 H GLU A 46 -4.918 6.174 22.450 1.00 1.00 H new ATOM 0 HA GLU A 46 -6.435 5.544 20.171 1.00 1.00 H new ATOM 0 HB2 GLU A 46 -6.802 4.662 22.461 1.00 1.00 H new ATOM 0 HB3 GLU A 46 -7.307 6.250 23.002 1.00 1.00 H new ATOM 0 HG2 GLU A 46 -9.339 6.169 21.820 1.00 1.00 H new ATOM 0 HG3 GLU A 46 -8.726 5.044 20.624 1.00 1.00 H new ATOM 651 N SER A 47 -6.881 8.673 21.120 1.00 1.00 N ATOM 652 CA SER A 47 -7.405 9.958 20.627 1.00 1.00 C ATOM 653 C SER A 47 -6.866 10.301 19.231 1.00 1.00 C ATOM 654 O SER A 47 -7.621 10.757 18.372 1.00 1.00 O ATOM 655 CB SER A 47 -7.085 11.102 21.595 1.00 1.00 C ATOM 656 OG SER A 47 -7.519 10.784 22.910 1.00 1.00 O ATOM 0 H SER A 47 -6.342 8.747 21.983 1.00 1.00 H new ATOM 0 HA SER A 47 -8.487 9.843 20.559 1.00 1.00 H new ATOM 0 HB2 SER A 47 -6.012 11.294 21.597 1.00 1.00 H new ATOM 0 HB3 SER A 47 -7.571 12.017 21.258 1.00 1.00 H new ATOM 0 HG SER A 47 -7.304 11.526 23.514 1.00 1.00 H new ATOM 662 N GLN A 48 -5.579 10.029 18.964 1.00 1.00 N ATOM 663 CA GLN A 48 -4.955 10.216 17.661 1.00 1.00 C ATOM 664 C GLN A 48 -5.557 9.251 16.628 1.00 1.00 C ATOM 665 O GLN A 48 -5.854 9.667 15.510 1.00 1.00 O ATOM 666 CB GLN A 48 -3.444 9.998 17.836 1.00 1.00 C ATOM 667 CG GLN A 48 -2.623 10.448 16.628 1.00 1.00 C ATOM 668 CD GLN A 48 -2.765 11.938 16.306 1.00 1.00 C ATOM 669 OE1 GLN A 48 -3.079 12.337 15.193 1.00 1.00 O ATOM 670 NE2 GLN A 48 -2.558 12.817 17.266 1.00 1.00 N ATOM 0 H GLN A 48 -4.937 9.666 19.668 1.00 1.00 H new ATOM 0 HA GLN A 48 -5.138 11.222 17.285 1.00 1.00 H new ATOM 0 HB2 GLN A 48 -3.106 10.541 18.719 1.00 1.00 H new ATOM 0 HB3 GLN A 48 -3.256 8.940 18.021 1.00 1.00 H new ATOM 0 HG2 GLN A 48 -1.572 10.224 16.811 1.00 1.00 H new ATOM 0 HG3 GLN A 48 -2.926 9.867 15.757 1.00 1.00 H new ATOM 0 HE21 GLN A 48 -2.296 12.500 18.199 1.00 1.00 H new ATOM 0 HE22 GLN A 48 -2.660 13.814 17.075 1.00 1.00 H new ATOM 679 N LYS A 49 -5.790 7.982 17.005 1.00 1.00 N ATOM 680 CA LYS A 49 -6.425 6.976 16.135 1.00 1.00 C ATOM 681 C LYS A 49 -7.848 7.410 15.760 1.00 1.00 C ATOM 682 O LYS A 49 -8.200 7.426 14.581 1.00 1.00 O ATOM 683 CB LYS A 49 -6.323 5.570 16.792 1.00 1.00 C ATOM 684 CG LYS A 49 -7.643 4.881 17.192 1.00 1.00 C ATOM 685 CD LYS A 49 -7.436 3.573 17.968 1.00 1.00 C ATOM 686 CE LYS A 49 -8.816 3.061 18.400 1.00 1.00 C ATOM 687 NZ LYS A 49 -8.742 1.991 19.427 1.00 1.00 N ATOM 0 H LYS A 49 -5.542 7.623 17.927 1.00 1.00 H new ATOM 0 HA LYS A 49 -5.893 6.900 15.187 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -5.794 4.912 16.102 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -5.704 5.659 17.685 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -8.232 5.567 17.801 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -8.223 4.674 16.293 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -6.933 2.834 17.344 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -6.801 3.741 18.838 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -9.400 3.894 18.792 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -9.347 2.683 17.526 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -9.499 1.297 19.261 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -7.818 1.516 19.368 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -8.857 2.409 20.372 1.00 1.00 H new ATOM 701 N LEU A 50 -8.640 7.834 16.748 1.00 1.00 N ATOM 702 CA LEU A 50 -10.011 8.311 16.559 1.00 1.00 C ATOM 703 C LEU A 50 -10.058 9.545 15.653 1.00 1.00 C ATOM 704 O LEU A 50 -10.906 9.608 14.764 1.00 1.00 O ATOM 705 CB LEU A 50 -10.671 8.584 17.929 1.00 1.00 C ATOM 706 CG LEU A 50 -11.028 7.323 18.742 1.00 1.00 C ATOM 707 CD1 LEU A 50 -11.693 7.719 20.059 1.00 1.00 C ATOM 708 CD2 LEU A 50 -12.005 6.400 18.015 1.00 1.00 C ATOM 0 H LEU A 50 -8.339 7.855 17.722 1.00 1.00 H new ATOM 0 HA LEU A 50 -10.580 7.530 16.054 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -9.998 9.203 18.523 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -11.580 9.164 17.769 1.00 1.00 H new ATOM 0 HG LEU A 50 -10.087 6.795 18.899 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -11.941 6.822 20.626 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -11.009 8.338 20.640 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -12.604 8.281 19.852 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -12.217 5.531 18.638 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -12.932 6.937 17.814 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -11.564 6.072 17.074 1.00 1.00 H new ATOM 720 N ALA A 51 -9.153 10.508 15.838 1.00 1.00 N ATOM 721 CA ALA A 51 -9.088 11.693 14.990 1.00 1.00 C ATOM 722 C ALA A 51 -8.648 11.354 13.556 1.00 1.00 C ATOM 723 O ALA A 51 -9.260 11.836 12.602 1.00 1.00 O ATOM 724 CB ALA A 51 -8.148 12.714 15.644 1.00 1.00 C ATOM 0 H ALA A 51 -8.450 10.486 16.576 1.00 1.00 H new ATOM 0 HA ALA A 51 -10.086 12.122 14.902 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -8.089 13.606 15.021 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -8.532 12.983 16.628 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -7.154 12.279 15.749 1.00 1.00 H new ATOM 730 N HIS A 52 -7.619 10.516 13.383 1.00 1.00 N ATOM 731 CA HIS A 52 -7.116 10.133 12.064 1.00 1.00 C ATOM 732 C HIS A 52 -8.170 9.404 11.220 1.00 1.00 C ATOM 733 O HIS A 52 -8.434 9.813 10.090 1.00 1.00 O ATOM 734 CB HIS A 52 -5.870 9.250 12.232 1.00 1.00 C ATOM 735 CG HIS A 52 -5.238 8.862 10.917 1.00 1.00 C ATOM 736 ND1 HIS A 52 -4.158 9.478 10.324 1.00 1.00 N ATOM 737 CD2 HIS A 52 -5.658 7.874 10.061 1.00 1.00 C ATOM 738 CE1 HIS A 52 -3.947 8.895 9.131 1.00 1.00 C ATOM 739 NE2 HIS A 52 -4.846 7.919 8.922 1.00 1.00 N ATOM 0 H HIS A 52 -7.113 10.085 14.157 1.00 1.00 H new ATOM 0 HA HIS A 52 -6.861 11.048 11.529 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -5.136 9.780 12.839 1.00 1.00 H new ATOM 0 HB3 HIS A 52 -6.143 8.347 12.778 1.00 1.00 H new ATOM 0 HD1 HIS A 52 -3.613 10.243 10.721 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -6.471 7.185 10.236 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -3.166 9.172 8.439 1.00 1.00 H new ATOM 747 N TYR A 53 -8.805 8.357 11.759 1.00 1.00 N ATOM 748 CA TYR A 53 -9.803 7.581 11.014 1.00 1.00 C ATOM 749 C TYR A 53 -11.071 8.386 10.666 1.00 1.00 C ATOM 750 O TYR A 53 -11.686 8.129 9.631 1.00 1.00 O ATOM 751 CB TYR A 53 -10.114 6.272 11.763 1.00 1.00 C ATOM 752 CG TYR A 53 -8.960 5.272 11.785 1.00 1.00 C ATOM 753 CD1 TYR A 53 -8.430 4.789 10.574 1.00 1.00 C ATOM 754 CD2 TYR A 53 -8.419 4.808 13.001 1.00 1.00 C ATOM 755 CE1 TYR A 53 -7.351 3.883 10.570 1.00 1.00 C ATOM 756 CE2 TYR A 53 -7.341 3.901 13.007 1.00 1.00 C ATOM 757 CZ TYR A 53 -6.800 3.439 11.790 1.00 1.00 C ATOM 758 OH TYR A 53 -5.764 2.560 11.791 1.00 1.00 O ATOM 0 H TYR A 53 -8.645 8.027 12.711 1.00 1.00 H new ATOM 0 HA TYR A 53 -9.369 7.328 10.046 1.00 1.00 H new ATOM 0 HB2 TYR A 53 -10.392 6.511 12.789 1.00 1.00 H new ATOM 0 HB3 TYR A 53 -10.980 5.799 11.300 1.00 1.00 H new ATOM 0 HD1 TYR A 53 -8.855 5.117 9.637 1.00 1.00 H new ATOM 0 HD2 TYR A 53 -8.835 5.151 13.937 1.00 1.00 H new ATOM 0 HE1 TYR A 53 -6.946 3.529 9.633 1.00 1.00 H new ATOM 0 HE2 TYR A 53 -6.929 3.559 13.945 1.00 1.00 H new ATOM 0 HH TYR A 53 -5.658 2.181 12.688 1.00 1.00 H new ATOM 768 N GLN A 54 -11.446 9.382 11.481 1.00 1.00 N ATOM 769 CA GLN A 54 -12.605 10.258 11.231 1.00 1.00 C ATOM 770 C GLN A 54 -12.275 11.498 10.370 1.00 1.00 C ATOM 771 O GLN A 54 -13.191 12.208 9.952 1.00 1.00 O ATOM 772 CB GLN A 54 -13.223 10.702 12.567 1.00 1.00 C ATOM 773 CG GLN A 54 -13.829 9.532 13.356 1.00 1.00 C ATOM 774 CD GLN A 54 -14.402 10.002 14.688 1.00 1.00 C ATOM 775 OE1 GLN A 54 -15.594 10.225 14.847 1.00 1.00 O ATOM 776 NE2 GLN A 54 -13.570 10.187 15.687 1.00 1.00 N ATOM 0 H GLN A 54 -10.949 9.607 12.343 1.00 1.00 H new ATOM 0 HA GLN A 54 -13.318 9.666 10.657 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -12.458 11.187 13.174 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -13.997 11.446 12.376 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -14.615 9.060 12.766 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -13.065 8.775 13.533 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -12.574 10.003 15.562 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -13.919 10.514 16.588 1.00 1.00 H new ATOM 785 N SER A 55 -10.997 11.784 10.094 1.00 1.00 N ATOM 786 CA SER A 55 -10.583 12.931 9.264 1.00 1.00 C ATOM 787 C SER A 55 -10.846 12.695 7.769 1.00 1.00 C ATOM 788 O SER A 55 -10.617 11.602 7.246 1.00 1.00 O ATOM 789 CB SER A 55 -9.090 13.230 9.454 1.00 1.00 C ATOM 790 OG SER A 55 -8.853 13.787 10.735 1.00 1.00 O ATOM 0 H SER A 55 -10.215 11.227 10.439 1.00 1.00 H new ATOM 0 HA SER A 55 -11.183 13.779 9.594 1.00 1.00 H new ATOM 0 HB2 SER A 55 -8.512 12.313 9.337 1.00 1.00 H new ATOM 0 HB3 SER A 55 -8.751 13.921 8.682 1.00 1.00 H new ATOM 0 HG SER A 55 -8.996 13.102 11.421 1.00 1.00 H new ATOM 796 N ARG A 56 -11.278 13.741 7.048 1.00 1.00 N ATOM 797 CA ARG A 56 -11.542 13.697 5.594 1.00 1.00 C ATOM 798 C ARG A 56 -10.324 13.257 4.771 1.00 1.00 C ATOM 799 O ARG A 56 -10.485 12.571 3.762 1.00 1.00 O ATOM 800 CB ARG A 56 -12.085 15.068 5.142 1.00 1.00 C ATOM 801 CG ARG A 56 -12.595 15.112 3.691 1.00 1.00 C ATOM 802 CD ARG A 56 -13.821 14.218 3.450 1.00 1.00 C ATOM 803 NE ARG A 56 -14.333 14.357 2.071 1.00 1.00 N ATOM 804 CZ ARG A 56 -15.150 15.287 1.606 1.00 1.00 C ATOM 805 NH1 ARG A 56 -15.614 16.248 2.353 1.00 1.00 N ATOM 806 NH2 ARG A 56 -15.524 15.267 0.359 1.00 1.00 N ATOM 0 H ARG A 56 -11.458 14.656 7.461 1.00 1.00 H new ATOM 0 HA ARG A 56 -12.294 12.931 5.407 1.00 1.00 H new ATOM 0 HB2 ARG A 56 -12.898 15.359 5.807 1.00 1.00 H new ATOM 0 HB3 ARG A 56 -11.297 15.812 5.258 1.00 1.00 H new ATOM 0 HG2 ARG A 56 -12.848 16.140 3.433 1.00 1.00 H new ATOM 0 HG3 ARG A 56 -11.792 14.804 3.022 1.00 1.00 H new ATOM 0 HD2 ARG A 56 -13.556 13.177 3.637 1.00 1.00 H new ATOM 0 HD3 ARG A 56 -14.607 14.479 4.159 1.00 1.00 H new ATOM 0 HE ARG A 56 -14.020 13.655 1.401 1.00 1.00 H new ATOM 0 HH11 ARG A 56 -15.349 16.303 3.336 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -16.242 16.946 1.954 1.00 1.00 H new ATOM 0 HH21 ARG A 56 -15.187 14.532 -0.263 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -16.154 15.986 0.004 1.00 1.00 H new ATOM 820 N LYS A 57 -9.107 13.600 5.216 1.00 1.00 N ATOM 821 CA LYS A 57 -7.835 13.212 4.570 1.00 1.00 C ATOM 822 C LYS A 57 -7.662 11.690 4.500 1.00 1.00 C ATOM 823 O LYS A 57 -7.229 11.172 3.471 1.00 1.00 O ATOM 824 CB LYS A 57 -6.645 13.860 5.307 1.00 1.00 C ATOM 825 CG LYS A 57 -6.683 15.397 5.394 1.00 1.00 C ATOM 826 CD LYS A 57 -6.712 16.093 4.026 1.00 1.00 C ATOM 827 CE LYS A 57 -6.630 17.613 4.214 1.00 1.00 C ATOM 828 NZ LYS A 57 -6.643 18.332 2.912 1.00 1.00 N ATOM 0 H LYS A 57 -8.971 14.167 6.053 1.00 1.00 H new ATOM 0 HA LYS A 57 -7.863 13.578 3.544 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -6.602 13.456 6.319 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -5.724 13.564 4.806 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -7.562 15.698 5.963 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -5.811 15.742 5.949 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -5.878 15.748 3.414 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -7.627 15.832 3.494 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -7.469 17.950 4.824 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -5.719 17.863 4.758 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -6.586 19.357 3.081 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -5.829 18.030 2.340 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -7.523 18.113 2.403 1.00 1.00 H new ATOM 842 N HIS A 58 -8.048 10.968 5.558 1.00 1.00 N ATOM 843 CA HIS A 58 -8.022 9.500 5.591 1.00 1.00 C ATOM 844 C HIS A 58 -9.031 8.930 4.592 1.00 1.00 C ATOM 845 O HIS A 58 -8.670 8.094 3.768 1.00 1.00 O ATOM 846 CB HIS A 58 -8.306 8.999 7.016 1.00 1.00 C ATOM 847 CG HIS A 58 -8.448 7.501 7.100 1.00 1.00 C ATOM 848 ND1 HIS A 58 -7.394 6.594 7.198 1.00 1.00 N ATOM 849 CD2 HIS A 58 -9.623 6.807 7.028 1.00 1.00 C ATOM 850 CE1 HIS A 58 -7.953 5.376 7.167 1.00 1.00 C ATOM 851 NE2 HIS A 58 -9.290 5.472 7.075 1.00 1.00 N ATOM 0 H HIS A 58 -8.390 11.388 6.422 1.00 1.00 H new ATOM 0 HA HIS A 58 -7.030 9.153 5.301 1.00 1.00 H new ATOM 0 HB2 HIS A 58 -7.498 9.319 7.675 1.00 1.00 H new ATOM 0 HB3 HIS A 58 -9.220 9.466 7.383 1.00 1.00 H new ATOM 0 HD2 HIS A 58 -10.616 7.223 6.950 1.00 1.00 H new ATOM 0 HE1 HIS A 58 -7.405 4.447 7.210 1.00 1.00 H new ATOM 0 HE2 HIS A 58 -9.945 4.691 7.045 1.00 1.00 H new ATOM 859 N ALA A 59 -10.276 9.421 4.612 1.00 1.00 N ATOM 860 CA ALA A 59 -11.321 8.986 3.683 1.00 1.00 C ATOM 861 C ALA A 59 -10.911 9.197 2.214 1.00 1.00 C ATOM 862 O ALA A 59 -11.071 8.295 1.390 1.00 1.00 O ATOM 863 CB ALA A 59 -12.618 9.726 4.026 1.00 1.00 C ATOM 0 H ALA A 59 -10.586 10.132 5.275 1.00 1.00 H new ATOM 0 HA ALA A 59 -11.477 7.913 3.795 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -13.407 9.413 3.342 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -12.911 9.492 5.050 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -12.460 10.800 3.930 1.00 1.00 H new ATOM 869 N ASN A 60 -10.329 10.358 1.887 1.00 1.00 N ATOM 870 CA ASN A 60 -9.834 10.661 0.544 1.00 1.00 C ATOM 871 C ASN A 60 -8.723 9.681 0.119 1.00 1.00 C ATOM 872 O ASN A 60 -8.796 9.111 -0.971 1.00 1.00 O ATOM 873 CB ASN A 60 -9.353 12.122 0.524 1.00 1.00 C ATOM 874 CG ASN A 60 -8.819 12.530 -0.841 1.00 1.00 C ATOM 875 OD1 ASN A 60 -7.640 12.405 -1.136 1.00 1.00 O ATOM 876 ND2 ASN A 60 -9.666 13.018 -1.719 1.00 1.00 N ATOM 0 H ASN A 60 -10.189 11.117 2.554 1.00 1.00 H new ATOM 0 HA ASN A 60 -10.637 10.538 -0.183 1.00 1.00 H new ATOM 0 HB2 ASN A 60 -10.178 12.779 0.801 1.00 1.00 H new ATOM 0 HB3 ASN A 60 -8.573 12.257 1.273 1.00 1.00 H new ATOM 0 HD21 ASN A 60 -9.339 13.292 -2.646 1.00 1.00 H new ATOM 0 HD22 ASN A 60 -10.651 13.123 -1.474 1.00 1.00 H new ATOM 883 N LYS A 61 -7.729 9.427 0.985 1.00 1.00 N ATOM 884 CA LYS A 61 -6.641 8.472 0.700 1.00 1.00 C ATOM 885 C LYS A 61 -7.148 7.034 0.558 1.00 1.00 C ATOM 886 O LYS A 61 -6.697 6.331 -0.345 1.00 1.00 O ATOM 887 CB LYS A 61 -5.514 8.616 1.738 1.00 1.00 C ATOM 888 CG LYS A 61 -4.664 9.852 1.389 1.00 1.00 C ATOM 889 CD LYS A 61 -3.486 10.095 2.341 1.00 1.00 C ATOM 890 CE LYS A 61 -3.946 10.689 3.677 1.00 1.00 C ATOM 891 NZ LYS A 61 -2.800 11.240 4.452 1.00 1.00 N ATOM 0 H LYS A 61 -7.655 9.874 1.899 1.00 1.00 H new ATOM 0 HA LYS A 61 -6.219 8.721 -0.274 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -5.935 8.719 2.738 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -4.892 7.721 1.744 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -4.280 9.740 0.375 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -5.306 10.733 1.391 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -2.965 9.155 2.522 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -2.771 10.770 1.870 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -4.676 11.478 3.494 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -4.448 9.920 4.265 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -3.146 11.634 5.350 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -2.116 10.481 4.647 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -2.337 11.990 3.901 1.00 1.00 H new ATOM 905 N VAL A 62 -8.122 6.604 1.366 1.00 1.00 N ATOM 906 CA VAL A 62 -8.755 5.277 1.229 1.00 1.00 C ATOM 907 C VAL A 62 -9.498 5.171 -0.105 1.00 1.00 C ATOM 908 O VAL A 62 -9.322 4.179 -0.809 1.00 1.00 O ATOM 909 CB VAL A 62 -9.672 4.961 2.426 1.00 1.00 C ATOM 910 CG1 VAL A 62 -10.508 3.688 2.221 1.00 1.00 C ATOM 911 CG2 VAL A 62 -8.822 4.733 3.679 1.00 1.00 C ATOM 0 H VAL A 62 -8.497 7.161 2.134 1.00 1.00 H new ATOM 0 HA VAL A 62 -7.968 4.523 1.231 1.00 1.00 H new ATOM 0 HB VAL A 62 -10.342 5.815 2.528 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -11.133 3.518 3.098 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -11.141 3.806 1.341 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -9.844 2.836 2.079 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -9.473 4.510 4.524 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -8.144 3.896 3.512 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -8.243 5.631 3.894 1.00 1.00 H new ATOM 1397 N SER A 94 -56.101 -13.790 -14.648 1.00 1.00 N ATOM 1398 CA SER A 94 -57.535 -14.143 -14.738 1.00 1.00 C ATOM 1399 C SER A 94 -58.454 -13.065 -14.153 1.00 1.00 C ATOM 1400 O SER A 94 -59.548 -12.844 -14.672 1.00 1.00 O ATOM 1401 CB SER A 94 -57.798 -15.484 -14.042 1.00 1.00 C ATOM 1402 OG SER A 94 -57.133 -16.540 -14.718 1.00 1.00 O ATOM 0 HA SER A 94 -57.770 -14.223 -15.799 1.00 1.00 H new ATOM 0 HB2 SER A 94 -57.456 -15.436 -13.008 1.00 1.00 H new ATOM 0 HB3 SER A 94 -58.870 -15.681 -14.015 1.00 1.00 H new ATOM 0 HG SER A 94 -56.298 -16.205 -15.107 1.00 1.00 H new ATOM 1408 N LYS A 95 -58.010 -12.347 -13.111 1.00 1.00 N ATOM 1409 CA LYS A 95 -58.726 -11.208 -12.502 1.00 1.00 C ATOM 1410 C LYS A 95 -58.204 -9.860 -13.021 1.00 1.00 C ATOM 1411 O LYS A 95 -58.856 -8.829 -12.864 1.00 1.00 O ATOM 1412 CB LYS A 95 -58.613 -11.293 -10.975 1.00 1.00 C ATOM 1413 CG LYS A 95 -59.462 -12.454 -10.436 1.00 1.00 C ATOM 1414 CD LYS A 95 -59.410 -12.503 -8.907 1.00 1.00 C ATOM 1415 CE LYS A 95 -60.305 -13.634 -8.388 1.00 1.00 C ATOM 1416 NZ LYS A 95 -60.131 -13.834 -6.928 1.00 1.00 N ATOM 0 H LYS A 95 -57.120 -12.545 -12.654 1.00 1.00 H new ATOM 0 HA LYS A 95 -59.776 -11.268 -12.789 1.00 1.00 H new ATOM 0 HB2 LYS A 95 -57.571 -11.434 -10.689 1.00 1.00 H new ATOM 0 HB3 LYS A 95 -58.943 -10.355 -10.527 1.00 1.00 H new ATOM 0 HG2 LYS A 95 -60.495 -12.339 -10.765 1.00 1.00 H new ATOM 0 HG3 LYS A 95 -59.100 -13.396 -10.847 1.00 1.00 H new ATOM 0 HD2 LYS A 95 -58.384 -12.659 -8.575 1.00 1.00 H new ATOM 0 HD3 LYS A 95 -59.738 -11.550 -8.493 1.00 1.00 H new ATOM 0 HE2 LYS A 95 -61.348 -13.403 -8.604 1.00 1.00 H new ATOM 0 HE3 LYS A 95 -60.068 -14.559 -8.914 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 -60.750 -14.606 -6.607 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 -59.140 -14.078 -6.727 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 -60.381 -12.958 -6.425 1.00 1.00 H new ATOM 1430 N CYS A 96 -57.038 -9.875 -13.660 1.00 1.00 N ATOM 1431 CA CYS A 96 -56.365 -8.733 -14.274 1.00 1.00 C ATOM 1432 C CYS A 96 -55.498 -9.146 -15.478 1.00 1.00 C ATOM 1433 O CYS A 96 -55.306 -10.334 -15.748 1.00 1.00 O ATOM 1434 CB CYS A 96 -55.564 -7.986 -13.188 1.00 1.00 C ATOM 1435 SG CYS A 96 -54.441 -9.087 -12.275 1.00 1.00 S ATOM 0 H CYS A 96 -56.504 -10.737 -13.770 1.00 1.00 H new ATOM 0 HA CYS A 96 -57.112 -8.054 -14.686 1.00 1.00 H new ATOM 0 HB2 CYS A 96 -54.987 -7.186 -13.652 1.00 1.00 H new ATOM 0 HB3 CYS A 96 -56.256 -7.516 -12.489 1.00 1.00 H new ATOM 0 HG CYS A 96 -53.795 -8.402 -11.379 1.00 1.00 H new ATOM 1441 N CYS A 97 -54.977 -8.146 -16.190 1.00 1.00 N ATOM 1442 CA CYS A 97 -54.097 -8.267 -17.353 1.00 1.00 C ATOM 1443 C CYS A 97 -52.958 -7.238 -17.217 1.00 1.00 C ATOM 1444 O CYS A 97 -53.190 -6.051 -17.469 1.00 1.00 O ATOM 1445 CB CYS A 97 -54.906 -8.036 -18.639 1.00 1.00 C ATOM 1446 SG CYS A 97 -53.913 -7.855 -20.145 1.00 1.00 S ATOM 0 H CYS A 97 -55.170 -7.172 -15.956 1.00 1.00 H new ATOM 0 HA CYS A 97 -53.666 -9.267 -17.404 1.00 1.00 H new ATOM 0 HB2 CYS A 97 -55.594 -8.871 -18.773 1.00 1.00 H new ATOM 0 HB3 CYS A 97 -55.514 -7.140 -18.512 1.00 1.00 H new ATOM 0 HG CYS A 97 -54.699 -7.661 -21.162 1.00 1.00 H new ATOM 1451 N PRO A 98 -51.735 -7.636 -16.813 1.00 1.00 N ATOM 1452 CA PRO A 98 -50.618 -6.708 -16.611 1.00 1.00 C ATOM 1453 C PRO A 98 -50.019 -6.148 -17.912 1.00 1.00 C ATOM 1454 O PRO A 98 -49.365 -5.105 -17.874 1.00 1.00 O ATOM 1455 CB PRO A 98 -49.584 -7.502 -15.805 1.00 1.00 C ATOM 1456 CG PRO A 98 -49.824 -8.946 -16.244 1.00 1.00 C ATOM 1457 CD PRO A 98 -51.335 -8.994 -16.465 1.00 1.00 C ATOM 0 HA PRO A 98 -50.961 -5.814 -16.091 1.00 1.00 H new ATOM 0 HB2 PRO A 98 -48.567 -7.178 -16.027 1.00 1.00 H new ATOM 0 HB3 PRO A 98 -49.730 -7.379 -14.732 1.00 1.00 H new ATOM 0 HG2 PRO A 98 -49.276 -9.187 -17.155 1.00 1.00 H new ATOM 0 HG3 PRO A 98 -49.505 -9.657 -15.482 1.00 1.00 H new ATOM 0 HD2 PRO A 98 -51.590 -9.692 -17.262 1.00 1.00 H new ATOM 0 HD3 PRO A 98 -51.850 -9.334 -15.566 1.00 1.00 H new ATOM 1465 N VAL A 99 -50.249 -6.791 -19.068 1.00 1.00 N ATOM 1466 CA VAL A 99 -49.767 -6.308 -20.383 1.00 1.00 C ATOM 1467 C VAL A 99 -50.455 -4.985 -20.749 1.00 1.00 C ATOM 1468 O VAL A 99 -49.804 -4.050 -21.212 1.00 1.00 O ATOM 1469 CB VAL A 99 -50.006 -7.340 -21.506 1.00 1.00 C ATOM 1470 CG1 VAL A 99 -49.323 -6.909 -22.811 1.00 1.00 C ATOM 1471 CG2 VAL A 99 -49.458 -8.727 -21.138 1.00 1.00 C ATOM 0 H VAL A 99 -50.775 -7.663 -19.123 1.00 1.00 H new ATOM 0 HA VAL A 99 -48.692 -6.154 -20.292 1.00 1.00 H new ATOM 0 HB VAL A 99 -51.087 -7.392 -21.638 1.00 1.00 H new ATOM 0 HG11 VAL A 99 -49.509 -7.656 -23.583 1.00 1.00 H new ATOM 0 HG12 VAL A 99 -49.725 -5.948 -23.132 1.00 1.00 H new ATOM 0 HG13 VAL A 99 -48.249 -6.817 -22.647 1.00 1.00 H new ATOM 0 HG21 VAL A 99 -49.648 -9.422 -21.956 1.00 1.00 H new ATOM 0 HG22 VAL A 99 -48.385 -8.659 -20.961 1.00 1.00 H new ATOM 0 HG23 VAL A 99 -49.952 -9.086 -20.235 1.00 1.00 H new ATOM 1481 N CYS A 100 -51.760 -4.897 -20.489 1.00 1.00 N ATOM 1482 CA CYS A 100 -52.588 -3.710 -20.730 1.00 1.00 C ATOM 1483 C CYS A 100 -52.824 -2.861 -19.462 1.00 1.00 C ATOM 1484 O CYS A 100 -53.330 -1.741 -19.539 1.00 1.00 O ATOM 1485 CB CYS A 100 -53.928 -4.199 -21.276 1.00 1.00 C ATOM 1486 SG CYS A 100 -53.815 -5.168 -22.805 1.00 1.00 S ATOM 0 H CYS A 100 -52.289 -5.674 -20.092 1.00 1.00 H new ATOM 0 HA CYS A 100 -52.066 -3.061 -21.433 1.00 1.00 H new ATOM 0 HB2 CYS A 100 -54.416 -4.805 -20.513 1.00 1.00 H new ATOM 0 HB3 CYS A 100 -54.569 -3.336 -21.456 1.00 1.00 H new ATOM 0 HG CYS A 100 -54.776 -6.043 -22.836 1.00 1.00 H new ATOM 1491 N ASN A 101 -52.483 -3.424 -18.300 1.00 1.00 N ATOM 1492 CA ASN A 101 -52.661 -2.891 -16.946 1.00 1.00 C ATOM 1493 C ASN A 101 -54.142 -2.580 -16.636 1.00 1.00 C ATOM 1494 O ASN A 101 -54.522 -1.439 -16.357 1.00 1.00 O ATOM 1495 CB ASN A 101 -51.664 -1.743 -16.689 1.00 1.00 C ATOM 1496 CG ASN A 101 -51.638 -1.295 -15.234 1.00 1.00 C ATOM 1497 OD1 ASN A 101 -51.905 -2.051 -14.310 1.00 1.00 O ATOM 1498 ND2 ASN A 101 -51.303 -0.050 -14.977 1.00 1.00 N ATOM 0 H ASN A 101 -52.038 -4.342 -18.280 1.00 1.00 H new ATOM 0 HA ASN A 101 -52.410 -3.658 -16.213 1.00 1.00 H new ATOM 0 HB2 ASN A 101 -50.665 -2.064 -16.983 1.00 1.00 H new ATOM 0 HB3 ASN A 101 -51.925 -0.894 -17.321 1.00 1.00 H new ATOM 0 HD21 ASN A 101 -51.267 0.280 -14.012 1.00 1.00 H new ATOM 0 HD22 ASN A 101 -51.079 0.586 -15.742 1.00 1.00 H new ATOM 1505 N MET A 102 -54.981 -3.620 -16.716 1.00 1.00 N ATOM 1506 CA MET A 102 -56.439 -3.565 -16.495 1.00 1.00 C ATOM 1507 C MET A 102 -56.941 -4.699 -15.582 1.00 1.00 C ATOM 1508 O MET A 102 -56.222 -5.667 -15.325 1.00 1.00 O ATOM 1509 CB MET A 102 -57.180 -3.628 -17.845 1.00 1.00 C ATOM 1510 CG MET A 102 -56.795 -2.501 -18.810 1.00 1.00 C ATOM 1511 SD MET A 102 -57.913 -2.280 -20.226 1.00 1.00 S ATOM 1512 CE MET A 102 -57.844 -3.922 -20.998 1.00 1.00 C ATOM 0 H MET A 102 -54.655 -4.559 -16.945 1.00 1.00 H new ATOM 0 HA MET A 102 -56.649 -2.621 -15.993 1.00 1.00 H new ATOM 0 HB2 MET A 102 -56.973 -4.587 -18.319 1.00 1.00 H new ATOM 0 HB3 MET A 102 -58.254 -3.588 -17.663 1.00 1.00 H new ATOM 0 HG2 MET A 102 -56.752 -1.566 -18.252 1.00 1.00 H new ATOM 0 HG3 MET A 102 -55.791 -2.694 -19.187 1.00 1.00 H new ATOM 0 HE1 MET A 102 -58.469 -3.931 -21.891 1.00 1.00 H new ATOM 0 HE2 MET A 102 -56.815 -4.152 -21.273 1.00 1.00 H new ATOM 0 HE3 MET A 102 -58.207 -4.671 -20.294 1.00 1.00 H new ATOM 1522 N THR A 103 -58.190 -4.593 -15.119 1.00 1.00 N ATOM 1523 CA THR A 103 -58.880 -5.561 -14.240 1.00 1.00 C ATOM 1524 C THR A 103 -60.184 -6.073 -14.869 1.00 1.00 C ATOM 1525 O THR A 103 -60.759 -5.428 -15.751 1.00 1.00 O ATOM 1526 CB THR A 103 -59.175 -4.950 -12.857 1.00 1.00 C ATOM 1527 OG1 THR A 103 -59.911 -3.749 -12.983 1.00 1.00 O ATOM 1528 CG2 THR A 103 -57.895 -4.631 -12.082 1.00 1.00 C ATOM 0 H THR A 103 -58.781 -3.795 -15.354 1.00 1.00 H new ATOM 0 HA THR A 103 -58.204 -6.407 -14.115 1.00 1.00 H new ATOM 0 HB THR A 103 -59.750 -5.699 -12.313 1.00 1.00 H new ATOM 0 HG1 THR A 103 -60.089 -3.379 -12.093 1.00 1.00 H new ATOM 0 HG21 THR A 103 -58.153 -4.202 -11.114 1.00 1.00 H new ATOM 0 HG22 THR A 103 -57.322 -5.546 -11.933 1.00 1.00 H new ATOM 0 HG23 THR A 103 -57.296 -3.917 -12.647 1.00 1.00 H new ATOM 1536 N PHE A 104 -60.648 -7.248 -14.426 1.00 1.00 N ATOM 1537 CA PHE A 104 -61.849 -7.927 -14.928 1.00 1.00 C ATOM 1538 C PHE A 104 -62.787 -8.396 -13.803 1.00 1.00 C ATOM 1539 O PHE A 104 -62.339 -8.799 -12.727 1.00 1.00 O ATOM 1540 CB PHE A 104 -61.439 -9.143 -15.776 1.00 1.00 C ATOM 1541 CG PHE A 104 -60.395 -8.894 -16.851 1.00 1.00 C ATOM 1542 CD1 PHE A 104 -60.658 -8.006 -17.912 1.00 1.00 C ATOM 1543 CD2 PHE A 104 -59.163 -9.574 -16.803 1.00 1.00 C ATOM 1544 CE1 PHE A 104 -59.699 -7.807 -18.921 1.00 1.00 C ATOM 1545 CE2 PHE A 104 -58.210 -9.385 -17.817 1.00 1.00 C ATOM 1546 CZ PHE A 104 -58.476 -8.498 -18.875 1.00 1.00 C ATOM 0 H PHE A 104 -60.182 -7.770 -13.683 1.00 1.00 H new ATOM 0 HA PHE A 104 -62.395 -7.199 -15.528 1.00 1.00 H new ATOM 0 HB2 PHE A 104 -61.062 -9.916 -15.106 1.00 1.00 H new ATOM 0 HB3 PHE A 104 -62.333 -9.544 -16.254 1.00 1.00 H new ATOM 0 HD1 PHE A 104 -61.599 -7.477 -17.951 1.00 1.00 H new ATOM 0 HD2 PHE A 104 -58.950 -10.244 -15.983 1.00 1.00 H new ATOM 0 HE1 PHE A 104 -59.902 -7.123 -19.732 1.00 1.00 H new ATOM 0 HE2 PHE A 104 -57.273 -9.921 -17.784 1.00 1.00 H new ATOM 0 HZ PHE A 104 -57.741 -8.348 -19.652 1.00 1.00 H new ATOM 1556 N SER A 105 -64.096 -8.386 -14.069 1.00 1.00 N ATOM 1557 CA SER A 105 -65.143 -8.858 -13.145 1.00 1.00 C ATOM 1558 C SER A 105 -65.331 -10.387 -13.147 1.00 1.00 C ATOM 1559 O SER A 105 -65.961 -10.934 -12.237 1.00 1.00 O ATOM 1560 CB SER A 105 -66.474 -8.189 -13.513 1.00 1.00 C ATOM 1561 OG SER A 105 -66.795 -8.436 -14.876 1.00 1.00 O ATOM 0 H SER A 105 -64.471 -8.042 -14.953 1.00 1.00 H new ATOM 0 HA SER A 105 -64.820 -8.585 -12.141 1.00 1.00 H new ATOM 0 HB2 SER A 105 -67.269 -8.569 -12.871 1.00 1.00 H new ATOM 0 HB3 SER A 105 -66.409 -7.115 -13.337 1.00 1.00 H new ATOM 0 HG SER A 105 -67.647 -8.004 -15.095 1.00 1.00 H new ATOM 1567 N SER A 106 -64.797 -11.087 -14.155 1.00 1.00 N ATOM 1568 CA SER A 106 -64.890 -12.544 -14.341 1.00 1.00 C ATOM 1569 C SER A 106 -63.749 -13.065 -15.233 1.00 1.00 C ATOM 1570 O SER A 106 -63.337 -12.353 -16.157 1.00 1.00 O ATOM 1571 CB SER A 106 -66.245 -12.854 -15.003 1.00 1.00 C ATOM 1572 OG SER A 106 -66.303 -14.167 -15.537 1.00 1.00 O ATOM 0 H SER A 106 -64.264 -10.635 -14.898 1.00 1.00 H new ATOM 0 HA SER A 106 -64.807 -13.038 -13.373 1.00 1.00 H new ATOM 0 HB2 SER A 106 -67.041 -12.729 -14.269 1.00 1.00 H new ATOM 0 HB3 SER A 106 -66.430 -12.133 -15.800 1.00 1.00 H new ATOM 0 HG SER A 106 -67.182 -14.316 -15.944 1.00 1.00 H new ATOM 1578 N PRO A 107 -63.250 -14.304 -15.027 1.00 1.00 N ATOM 1579 CA PRO A 107 -62.211 -14.900 -15.873 1.00 1.00 C ATOM 1580 C PRO A 107 -62.665 -15.093 -17.329 1.00 1.00 C ATOM 1581 O PRO A 107 -61.826 -15.143 -18.230 1.00 1.00 O ATOM 1582 CB PRO A 107 -61.843 -16.227 -15.201 1.00 1.00 C ATOM 1583 CG PRO A 107 -63.106 -16.605 -14.433 1.00 1.00 C ATOM 1584 CD PRO A 107 -63.652 -15.249 -13.990 1.00 1.00 C ATOM 0 HA PRO A 107 -61.348 -14.239 -15.950 1.00 1.00 H new ATOM 0 HB2 PRO A 107 -61.578 -16.988 -15.935 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -60.988 -16.115 -14.535 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -63.817 -17.141 -15.062 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -62.884 -17.249 -13.582 1.00 1.00 H new ATOM 0 HD2 PRO A 107 -64.737 -15.279 -13.886 1.00 1.00 H new ATOM 0 HD3 PRO A 107 -63.247 -14.962 -13.020 1.00 1.00 H new ATOM 1592 N VAL A 108 -63.977 -15.145 -17.593 1.00 1.00 N ATOM 1593 CA VAL A 108 -64.526 -15.230 -18.961 1.00 1.00 C ATOM 1594 C VAL A 108 -64.148 -13.972 -19.756 1.00 1.00 C ATOM 1595 O VAL A 108 -63.787 -14.062 -20.930 1.00 1.00 O ATOM 1596 CB VAL A 108 -66.056 -15.427 -18.934 1.00 1.00 C ATOM 1597 CG1 VAL A 108 -66.648 -15.553 -20.345 1.00 1.00 C ATOM 1598 CG2 VAL A 108 -66.438 -16.700 -18.164 1.00 1.00 C ATOM 0 H VAL A 108 -64.692 -15.130 -16.866 1.00 1.00 H new ATOM 0 HA VAL A 108 -64.092 -16.099 -19.456 1.00 1.00 H new ATOM 0 HB VAL A 108 -66.460 -14.542 -18.442 1.00 1.00 H new ATOM 0 HG11 VAL A 108 -67.727 -15.690 -20.276 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -66.433 -14.647 -20.912 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -66.205 -16.411 -20.850 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -67.522 -16.812 -18.162 1.00 1.00 H new ATOM 0 HG22 VAL A 108 -65.984 -17.566 -18.645 1.00 1.00 H new ATOM 0 HG23 VAL A 108 -66.079 -16.626 -17.138 1.00 1.00 H new ATOM 1608 N VAL A 109 -64.157 -12.799 -19.106 1.00 1.00 N ATOM 1609 CA VAL A 109 -63.748 -11.522 -19.716 1.00 1.00 C ATOM 1610 C VAL A 109 -62.257 -11.554 -20.063 1.00 1.00 C ATOM 1611 O VAL A 109 -61.884 -11.133 -21.156 1.00 1.00 O ATOM 1612 CB VAL A 109 -64.061 -10.321 -18.801 1.00 1.00 C ATOM 1613 CG1 VAL A 109 -63.780 -8.987 -19.502 1.00 1.00 C ATOM 1614 CG2 VAL A 109 -65.532 -10.301 -18.359 1.00 1.00 C ATOM 0 H VAL A 109 -64.451 -12.708 -18.133 1.00 1.00 H new ATOM 0 HA VAL A 109 -64.326 -11.394 -20.631 1.00 1.00 H new ATOM 0 HB VAL A 109 -63.412 -10.440 -17.934 1.00 1.00 H new ATOM 0 HG11 VAL A 109 -64.013 -8.164 -18.826 1.00 1.00 H new ATOM 0 HG12 VAL A 109 -62.728 -8.939 -19.784 1.00 1.00 H new ATOM 0 HG13 VAL A 109 -64.399 -8.908 -20.396 1.00 1.00 H new ATOM 0 HG21 VAL A 109 -65.707 -9.438 -17.716 1.00 1.00 H new ATOM 0 HG22 VAL A 109 -66.175 -10.236 -19.237 1.00 1.00 H new ATOM 0 HG23 VAL A 109 -65.759 -11.215 -17.810 1.00 1.00 H new ATOM 1624 N ALA A 110 -61.410 -12.102 -19.180 1.00 1.00 N ATOM 1625 CA ALA A 110 -59.974 -12.253 -19.430 1.00 1.00 C ATOM 1626 C ALA A 110 -59.713 -13.133 -20.670 1.00 1.00 C ATOM 1627 O ALA A 110 -58.978 -12.735 -21.574 1.00 1.00 O ATOM 1628 CB ALA A 110 -59.296 -12.828 -18.180 1.00 1.00 C ATOM 0 H ALA A 110 -61.705 -12.454 -18.269 1.00 1.00 H new ATOM 0 HA ALA A 110 -59.545 -11.273 -19.641 1.00 1.00 H new ATOM 0 HB1 ALA A 110 -58.228 -12.941 -18.365 1.00 1.00 H new ATOM 0 HB2 ALA A 110 -59.449 -12.152 -17.339 1.00 1.00 H new ATOM 0 HB3 ALA A 110 -59.728 -13.801 -17.946 1.00 1.00 H new ATOM 1634 N GLU A 111 -60.355 -14.305 -20.747 1.00 1.00 N ATOM 1635 CA GLU A 111 -60.231 -15.223 -21.890 1.00 1.00 C ATOM 1636 C GLU A 111 -60.670 -14.567 -23.213 1.00 1.00 C ATOM 1637 O GLU A 111 -59.968 -14.694 -24.219 1.00 1.00 O ATOM 1638 CB GLU A 111 -61.050 -16.499 -21.633 1.00 1.00 C ATOM 1639 CG GLU A 111 -60.440 -17.419 -20.565 1.00 1.00 C ATOM 1640 CD GLU A 111 -59.186 -18.148 -21.087 1.00 1.00 C ATOM 1641 OE1 GLU A 111 -59.324 -19.240 -21.692 1.00 1.00 O ATOM 1642 OE2 GLU A 111 -58.054 -17.642 -20.893 1.00 1.00 O ATOM 0 H GLU A 111 -60.979 -14.646 -20.016 1.00 1.00 H new ATOM 0 HA GLU A 111 -59.177 -15.480 -21.990 1.00 1.00 H new ATOM 0 HB2 GLU A 111 -62.057 -16.218 -21.326 1.00 1.00 H new ATOM 0 HB3 GLU A 111 -61.145 -17.054 -22.567 1.00 1.00 H new ATOM 0 HG2 GLU A 111 -60.179 -16.831 -19.685 1.00 1.00 H new ATOM 0 HG3 GLU A 111 -61.182 -18.152 -20.250 1.00 1.00 H new ATOM 1649 N SER A 112 -61.786 -13.827 -23.218 1.00 1.00 N ATOM 1650 CA SER A 112 -62.265 -13.097 -24.404 1.00 1.00 C ATOM 1651 C SER A 112 -61.329 -11.942 -24.787 1.00 1.00 C ATOM 1652 O SER A 112 -61.085 -11.707 -25.971 1.00 1.00 O ATOM 1653 CB SER A 112 -63.675 -12.542 -24.171 1.00 1.00 C ATOM 1654 OG SER A 112 -64.617 -13.603 -24.106 1.00 1.00 O ATOM 0 H SER A 112 -62.385 -13.716 -22.400 1.00 1.00 H new ATOM 0 HA SER A 112 -62.283 -13.814 -25.225 1.00 1.00 H new ATOM 0 HB2 SER A 112 -63.699 -11.968 -23.245 1.00 1.00 H new ATOM 0 HB3 SER A 112 -63.942 -11.858 -24.977 1.00 1.00 H new ATOM 0 HG SER A 112 -65.513 -13.236 -23.955 1.00 1.00 H new ATOM 1660 N HIS A 113 -60.776 -11.229 -23.800 1.00 1.00 N ATOM 1661 CA HIS A 113 -59.842 -10.121 -24.005 1.00 1.00 C ATOM 1662 C HIS A 113 -58.545 -10.579 -24.698 1.00 1.00 C ATOM 1663 O HIS A 113 -58.125 -9.955 -25.675 1.00 1.00 O ATOM 1664 CB HIS A 113 -59.563 -9.453 -22.649 1.00 1.00 C ATOM 1665 CG HIS A 113 -58.480 -8.412 -22.706 1.00 1.00 C ATOM 1666 ND1 HIS A 113 -58.608 -7.117 -23.158 1.00 1.00 N ATOM 1667 CD2 HIS A 113 -57.166 -8.601 -22.374 1.00 1.00 C ATOM 1668 CE1 HIS A 113 -57.395 -6.543 -23.108 1.00 1.00 C ATOM 1669 NE2 HIS A 113 -56.486 -7.407 -22.629 1.00 1.00 N ATOM 0 H HIS A 113 -60.971 -11.412 -22.816 1.00 1.00 H new ATOM 0 HA HIS A 113 -60.295 -9.393 -24.678 1.00 1.00 H new ATOM 0 HB2 HIS A 113 -60.481 -8.992 -22.284 1.00 1.00 H new ATOM 0 HB3 HIS A 113 -59.282 -10.219 -21.926 1.00 1.00 H new ATOM 0 HD1 HIS A 113 -59.470 -6.673 -23.474 1.00 1.00 H new ATOM 0 HD2 HIS A 113 -56.732 -9.510 -21.985 1.00 1.00 H new ATOM 0 HE1 HIS A 113 -57.181 -5.529 -23.411 1.00 1.00 H new ATOM 1677 N TYR A 114 -57.926 -11.675 -24.240 1.00 1.00 N ATOM 1678 CA TYR A 114 -56.685 -12.210 -24.824 1.00 1.00 C ATOM 1679 C TYR A 114 -56.793 -12.626 -26.304 1.00 1.00 C ATOM 1680 O TYR A 114 -55.777 -12.657 -27.000 1.00 1.00 O ATOM 1681 CB TYR A 114 -56.161 -13.382 -23.977 1.00 1.00 C ATOM 1682 CG TYR A 114 -55.794 -13.044 -22.541 1.00 1.00 C ATOM 1683 CD1 TYR A 114 -55.079 -11.867 -22.243 1.00 1.00 C ATOM 1684 CD2 TYR A 114 -56.148 -13.925 -21.500 1.00 1.00 C ATOM 1685 CE1 TYR A 114 -54.748 -11.552 -20.913 1.00 1.00 C ATOM 1686 CE2 TYR A 114 -55.823 -13.612 -20.165 1.00 1.00 C ATOM 1687 CZ TYR A 114 -55.128 -12.419 -19.870 1.00 1.00 C ATOM 1688 OH TYR A 114 -54.812 -12.102 -18.589 1.00 1.00 O ATOM 0 H TYR A 114 -58.272 -12.220 -23.450 1.00 1.00 H new ATOM 0 HA TYR A 114 -55.976 -11.382 -24.808 1.00 1.00 H new ATOM 0 HB2 TYR A 114 -56.919 -14.165 -23.964 1.00 1.00 H new ATOM 0 HB3 TYR A 114 -55.282 -13.798 -24.469 1.00 1.00 H new ATOM 0 HD1 TYR A 114 -54.783 -11.202 -23.041 1.00 1.00 H new ATOM 0 HD2 TYR A 114 -56.670 -14.843 -21.726 1.00 1.00 H new ATOM 0 HE1 TYR A 114 -54.203 -10.646 -20.692 1.00 1.00 H new ATOM 0 HE2 TYR A 114 -56.105 -14.284 -19.368 1.00 1.00 H new ATOM 0 HH TYR A 114 -55.145 -12.800 -17.988 1.00 1.00 H new ATOM 1698 N ILE A 115 -58.004 -12.905 -26.800 1.00 1.00 N ATOM 1699 CA ILE A 115 -58.265 -13.262 -28.208 1.00 1.00 C ATOM 1700 C ILE A 115 -58.823 -12.084 -29.034 1.00 1.00 C ATOM 1701 O ILE A 115 -59.133 -12.249 -30.217 1.00 1.00 O ATOM 1702 CB ILE A 115 -59.096 -14.546 -28.332 1.00 1.00 C ATOM 1703 CG1 ILE A 115 -60.550 -14.363 -27.865 1.00 1.00 C ATOM 1704 CG2 ILE A 115 -58.395 -15.713 -27.606 1.00 1.00 C ATOM 1705 CD1 ILE A 115 -61.416 -15.462 -28.465 1.00 1.00 C ATOM 0 H ILE A 115 -58.848 -12.890 -26.228 1.00 1.00 H new ATOM 0 HA ILE A 115 -57.298 -13.486 -28.658 1.00 1.00 H new ATOM 0 HB ILE A 115 -59.159 -14.793 -29.392 1.00 1.00 H new ATOM 0 HG12 ILE A 115 -60.601 -14.398 -26.777 1.00 1.00 H new ATOM 0 HG13 ILE A 115 -60.921 -13.385 -28.170 1.00 1.00 H new ATOM 0 HG21 ILE A 115 -58.997 -16.616 -27.703 1.00 1.00 H new ATOM 0 HG22 ILE A 115 -57.414 -15.881 -28.050 1.00 1.00 H new ATOM 0 HG23 ILE A 115 -58.278 -15.467 -26.551 1.00 1.00 H new ATOM 0 HD11 ILE A 115 -62.447 -15.334 -28.135 1.00 1.00 H new ATOM 0 HD12 ILE A 115 -61.373 -15.406 -29.553 1.00 1.00 H new ATOM 0 HD13 ILE A 115 -61.048 -16.434 -28.137 1.00 1.00 H new ATOM 1717 N GLY A 116 -58.935 -10.893 -28.433 1.00 1.00 N ATOM 1718 CA GLY A 116 -59.422 -9.666 -29.070 1.00 1.00 C ATOM 1719 C GLY A 116 -58.290 -8.713 -29.470 1.00 1.00 C ATOM 1720 O GLY A 116 -57.193 -8.734 -28.901 1.00 1.00 O ATOM 0 H GLY A 116 -58.680 -10.754 -27.455 1.00 1.00 H new ATOM 0 HA2 GLY A 116 -60.000 -9.927 -29.956 1.00 1.00 H new ATOM 0 HA3 GLY A 116 -60.099 -9.152 -28.388 1.00 1.00 H new ATOM 1724 N LYS A 117 -58.556 -7.854 -30.462 1.00 1.00 N ATOM 1725 CA LYS A 117 -57.584 -6.890 -31.014 1.00 1.00 C ATOM 1726 C LYS A 117 -56.989 -5.934 -29.972 1.00 1.00 C ATOM 1727 O LYS A 117 -55.833 -5.545 -30.111 1.00 1.00 O ATOM 1728 CB LYS A 117 -58.242 -6.137 -32.188 1.00 1.00 C ATOM 1729 CG LYS A 117 -57.312 -5.211 -32.994 1.00 1.00 C ATOM 1730 CD LYS A 117 -56.120 -5.945 -33.637 1.00 1.00 C ATOM 1731 CE LYS A 117 -55.279 -5.030 -34.540 1.00 1.00 C ATOM 1732 NZ LYS A 117 -55.983 -4.672 -35.802 1.00 1.00 N ATOM 0 H LYS A 117 -59.469 -7.805 -30.915 1.00 1.00 H new ATOM 0 HA LYS A 117 -56.724 -7.455 -31.374 1.00 1.00 H new ATOM 0 HB2 LYS A 117 -58.673 -6.870 -32.869 1.00 1.00 H new ATOM 0 HB3 LYS A 117 -59.067 -5.541 -31.797 1.00 1.00 H new ATOM 0 HG2 LYS A 117 -57.891 -4.720 -33.776 1.00 1.00 H new ATOM 0 HG3 LYS A 117 -56.934 -4.427 -32.337 1.00 1.00 H new ATOM 0 HD2 LYS A 117 -55.486 -6.357 -32.852 1.00 1.00 H new ATOM 0 HD3 LYS A 117 -56.490 -6.787 -34.223 1.00 1.00 H new ATOM 0 HE2 LYS A 117 -55.029 -4.119 -33.996 1.00 1.00 H new ATOM 0 HE3 LYS A 117 -54.339 -5.527 -34.780 1.00 1.00 H new ATOM 0 HZ1 LYS A 117 -55.355 -4.096 -36.398 1.00 1.00 H new ATOM 0 HZ2 LYS A 117 -56.245 -5.540 -36.312 1.00 1.00 H new ATOM 0 HZ3 LYS A 117 -56.842 -4.129 -35.579 1.00 1.00 H new ATOM 1746 N THR A 118 -57.734 -5.579 -28.921 1.00 1.00 N ATOM 1747 CA THR A 118 -57.267 -4.689 -27.838 1.00 1.00 C ATOM 1748 C THR A 118 -55.996 -5.216 -27.165 1.00 1.00 C ATOM 1749 O THR A 118 -55.044 -4.459 -26.959 1.00 1.00 O ATOM 1750 CB THR A 118 -58.368 -4.508 -26.776 1.00 1.00 C ATOM 1751 OG1 THR A 118 -59.605 -4.203 -27.390 1.00 1.00 O ATOM 1752 CG2 THR A 118 -58.061 -3.391 -25.776 1.00 1.00 C ATOM 0 H THR A 118 -58.692 -5.903 -28.791 1.00 1.00 H new ATOM 0 HA THR A 118 -57.034 -3.728 -28.297 1.00 1.00 H new ATOM 0 HB THR A 118 -58.415 -5.455 -26.238 1.00 1.00 H new ATOM 0 HG1 THR A 118 -60.294 -4.093 -26.701 1.00 1.00 H new ATOM 0 HG21 THR A 118 -58.875 -3.315 -25.055 1.00 1.00 H new ATOM 0 HG22 THR A 118 -57.132 -3.617 -25.252 1.00 1.00 H new ATOM 0 HG23 THR A 118 -57.957 -2.445 -26.308 1.00 1.00 H new ATOM 1760 N HIS A 119 -55.936 -6.519 -26.864 1.00 1.00 N ATOM 1761 CA HIS A 119 -54.745 -7.144 -26.280 1.00 1.00 C ATOM 1762 C HIS A 119 -53.600 -7.217 -27.294 1.00 1.00 C ATOM 1763 O HIS A 119 -52.461 -6.887 -26.970 1.00 1.00 O ATOM 1764 CB HIS A 119 -55.092 -8.539 -25.749 1.00 1.00 C ATOM 1765 CG HIS A 119 -53.974 -9.128 -24.927 1.00 1.00 C ATOM 1766 ND1 HIS A 119 -53.621 -8.725 -23.636 1.00 1.00 N ATOM 1767 CD2 HIS A 119 -53.141 -10.134 -25.322 1.00 1.00 C ATOM 1768 CE1 HIS A 119 -52.584 -9.501 -23.282 1.00 1.00 C ATOM 1769 NE2 HIS A 119 -52.273 -10.355 -24.274 1.00 1.00 N ATOM 0 H HIS A 119 -56.709 -7.167 -27.018 1.00 1.00 H new ATOM 0 HA HIS A 119 -54.406 -6.525 -25.449 1.00 1.00 H new ATOM 0 HB2 HIS A 119 -55.996 -8.481 -25.142 1.00 1.00 H new ATOM 0 HB3 HIS A 119 -55.313 -9.201 -26.587 1.00 1.00 H new ATOM 0 HD1 HIS A 119 -54.060 -7.993 -23.078 1.00 1.00 H new ATOM 0 HD2 HIS A 119 -53.158 -10.654 -26.268 1.00 1.00 H new ATOM 0 HE1 HIS A 119 -52.071 -9.447 -22.333 1.00 1.00 H new ATOM 1777 N ILE A 120 -53.907 -7.601 -28.540 1.00 1.00 N ATOM 1778 CA ILE A 120 -52.941 -7.722 -29.648 1.00 1.00 C ATOM 1779 C ILE A 120 -52.253 -6.376 -29.936 1.00 1.00 C ATOM 1780 O ILE A 120 -51.032 -6.330 -30.092 1.00 1.00 O ATOM 1781 CB ILE A 120 -53.619 -8.342 -30.892 1.00 1.00 C ATOM 1782 CG1 ILE A 120 -54.128 -9.760 -30.529 1.00 1.00 C ATOM 1783 CG2 ILE A 120 -52.652 -8.397 -32.090 1.00 1.00 C ATOM 1784 CD1 ILE A 120 -54.885 -10.480 -31.653 1.00 1.00 C ATOM 0 H ILE A 120 -54.859 -7.843 -28.816 1.00 1.00 H new ATOM 0 HA ILE A 120 -52.146 -8.406 -29.352 1.00 1.00 H new ATOM 0 HB ILE A 120 -54.460 -7.715 -31.189 1.00 1.00 H new ATOM 0 HG12 ILE A 120 -53.276 -10.372 -30.234 1.00 1.00 H new ATOM 0 HG13 ILE A 120 -54.782 -9.685 -29.660 1.00 1.00 H new ATOM 0 HG21 ILE A 120 -53.160 -8.838 -32.948 1.00 1.00 H new ATOM 0 HG22 ILE A 120 -52.326 -7.388 -32.341 1.00 1.00 H new ATOM 0 HG23 ILE A 120 -51.785 -9.004 -31.830 1.00 1.00 H new ATOM 0 HD11 ILE A 120 -55.202 -11.464 -31.306 1.00 1.00 H new ATOM 0 HD12 ILE A 120 -55.761 -9.895 -31.935 1.00 1.00 H new ATOM 0 HD13 ILE A 120 -54.231 -10.593 -32.518 1.00 1.00 H new ATOM 1796 N LYS A 121 -53.006 -5.269 -29.933 1.00 1.00 N ATOM 1797 CA LYS A 121 -52.473 -3.903 -30.084 1.00 1.00 C ATOM 1798 C LYS A 121 -51.470 -3.589 -28.969 1.00 1.00 C ATOM 1799 O LYS A 121 -50.384 -3.077 -29.234 1.00 1.00 O ATOM 1800 CB LYS A 121 -53.650 -2.910 -30.095 1.00 1.00 C ATOM 1801 CG LYS A 121 -53.194 -1.458 -30.329 1.00 1.00 C ATOM 1802 CD LYS A 121 -54.366 -0.466 -30.389 1.00 1.00 C ATOM 1803 CE LYS A 121 -55.075 -0.319 -29.033 1.00 1.00 C ATOM 1804 NZ LYS A 121 -56.147 0.711 -29.088 1.00 1.00 N ATOM 0 H LYS A 121 -54.020 -5.294 -29.824 1.00 1.00 H new ATOM 0 HA LYS A 121 -51.933 -3.815 -31.027 1.00 1.00 H new ATOM 0 HB2 LYS A 121 -54.355 -3.196 -30.875 1.00 1.00 H new ATOM 0 HB3 LYS A 121 -54.182 -2.972 -29.146 1.00 1.00 H new ATOM 0 HG2 LYS A 121 -52.515 -1.162 -29.529 1.00 1.00 H new ATOM 0 HG3 LYS A 121 -52.631 -1.405 -31.261 1.00 1.00 H new ATOM 0 HD2 LYS A 121 -53.999 0.508 -30.712 1.00 1.00 H new ATOM 0 HD3 LYS A 121 -55.084 -0.800 -31.138 1.00 1.00 H new ATOM 0 HE2 LYS A 121 -55.504 -1.277 -28.740 1.00 1.00 H new ATOM 0 HE3 LYS A 121 -54.347 -0.048 -28.268 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 -56.605 0.785 -28.157 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 -55.733 1.630 -29.344 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 -56.854 0.439 -29.801 1.00 1.00 H new ATOM 1818 N ASN A 122 -51.807 -3.942 -27.726 1.00 1.00 N ATOM 1819 CA ASN A 122 -50.926 -3.746 -26.574 1.00 1.00 C ATOM 1820 C ASN A 122 -49.616 -4.551 -26.671 1.00 1.00 C ATOM 1821 O ASN A 122 -48.599 -4.058 -26.188 1.00 1.00 O ATOM 1822 CB ASN A 122 -51.692 -3.999 -25.266 1.00 1.00 C ATOM 1823 CG ASN A 122 -52.465 -2.766 -24.831 1.00 1.00 C ATOM 1824 OD1 ASN A 122 -51.955 -1.908 -24.126 1.00 1.00 O ATOM 1825 ND2 ASN A 122 -53.703 -2.613 -25.242 1.00 1.00 N ATOM 0 H ASN A 122 -52.701 -4.373 -27.490 1.00 1.00 H new ATOM 0 HA ASN A 122 -50.608 -2.703 -26.575 1.00 1.00 H new ATOM 0 HB2 ASN A 122 -52.380 -4.833 -25.401 1.00 1.00 H new ATOM 0 HB3 ASN A 122 -50.992 -4.287 -24.482 1.00 1.00 H new ATOM 0 HD21 ASN A 122 -54.231 -1.783 -24.972 1.00 1.00 H new ATOM 0 HD22 ASN A 122 -54.136 -3.324 -25.831 1.00 1.00 H new