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 174:sc= 0.145 USER MOD Set 1.2: A 100 CYS SG : rot 153:sc= 0.2 USER MOD Set 1.3: A 113 HIS : no HE2:sc= 0.176 K(o=1.6,f=0.43) USER MOD Set 1.4: A 119 HIS : no HD1:sc= 0 X(o=1.6,f=1.2) USER MOD Set 1.5: A 122 ASN : amide:sc= 1.06 K(o=1.6,f=0.37) USER MOD Set 2.1: A 36 CYS SG : rot -135:sc= 0.0682 USER MOD Set 2.2: A 39 CYS SG : rot 132:sc= 0.306 USER MOD Set 2.3: A 52 HIS : no HE2:sc= -0.433 X(o=-0.27,f=-0.71) USER MOD Set 2.4: A 58 HIS : no HD1:sc= -0.206 X(o=-0.27,f=-0.41) USER MOD Set 3.1: A 35 GLN : amide:sc= 0.936 K(o=2,f=-3.2) USER MOD Set 3.2: A 37 LYS NZ :NH3+ -168:sc= 1.09 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 165:sc= 1.24 (180deg=0.921) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0.865 K(o=0.87,f=-0.0014) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -0.78 X(o=-0.78,f=-1) USER MOD Single : A 32 SER OG : rot -46:sc= 1.01 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -6:sc= 0.0284 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=-0.00189 K(o=-0.0019,f=-2.5!) USER MOD Single : A 49 LYS NZ :NH3+ -144:sc= 2.46 (180deg=1.29) USER MOD Single : A 53 TYR OH : rot -164:sc= 0.977 USER MOD Single : A 54 GLN : amide:sc= 0.922 K(o=0.92,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0.0275 USER MOD Single : A 57 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00215) USER MOD Single : A 60 ASN : amide:sc= 1 K(o=1,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -157:sc= 0.817 (180deg=0.497) USER MOD Single : A 94 SER OG : rot 27:sc= 0.0831 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=-0.00709 K(o=-0.0071,f=-0.77) USER MOD Single : A 102 MET CE :methyl 180:sc= -0.0532 (180deg=-0.0532) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0.00753 USER MOD Single : A 106 SER OG : rot 180:sc= 0.0291 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 188 N GLY A 16 -17.714 7.869 15.749 1.00 1.00 N ATOM 189 CA GLY A 16 -17.446 7.463 17.135 1.00 1.00 C ATOM 190 C GLY A 16 -16.516 6.251 17.228 1.00 1.00 C ATOM 191 O GLY A 16 -16.273 5.571 16.227 1.00 1.00 O ATOM 0 HA2 GLY A 16 -17.001 8.299 17.674 1.00 1.00 H new ATOM 0 HA3 GLY A 16 -18.389 7.231 17.630 1.00 1.00 H new ATOM 195 N LYS A 17 -15.998 5.963 18.431 1.00 1.00 N ATOM 196 CA LYS A 17 -15.076 4.836 18.675 1.00 1.00 C ATOM 197 C LYS A 17 -15.645 3.481 18.241 1.00 1.00 C ATOM 198 O LYS A 17 -14.906 2.665 17.696 1.00 1.00 O ATOM 199 CB LYS A 17 -14.615 4.834 20.146 1.00 1.00 C ATOM 200 CG LYS A 17 -13.626 3.683 20.418 1.00 1.00 C ATOM 201 CD LYS A 17 -12.758 3.878 21.665 1.00 1.00 C ATOM 202 CE LYS A 17 -13.560 4.070 22.958 1.00 1.00 C ATOM 203 NZ LYS A 17 -12.664 4.025 24.142 1.00 1.00 N ATOM 0 H LYS A 17 -16.206 6.506 19.269 1.00 1.00 H new ATOM 0 HA LYS A 17 -14.203 4.989 18.041 1.00 1.00 H new ATOM 0 HB2 LYS A 17 -14.142 5.787 20.383 1.00 1.00 H new ATOM 0 HB3 LYS A 17 -15.481 4.736 20.801 1.00 1.00 H new ATOM 0 HG2 LYS A 17 -14.187 2.754 20.522 1.00 1.00 H new ATOM 0 HG3 LYS A 17 -12.975 3.567 19.551 1.00 1.00 H new ATOM 0 HD2 LYS A 17 -12.105 3.013 21.780 1.00 1.00 H new ATOM 0 HD3 LYS A 17 -12.115 4.745 21.516 1.00 1.00 H new ATOM 0 HE2 LYS A 17 -14.084 5.025 22.928 1.00 1.00 H new ATOM 0 HE3 LYS A 17 -14.319 3.292 23.040 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 -13.165 4.403 24.971 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 -12.382 3.041 24.327 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 -11.817 4.599 23.958 1.00 1.00 H new ATOM 217 N ASP A 18 -16.943 3.247 18.429 1.00 1.00 N ATOM 218 CA ASP A 18 -17.610 2.004 18.009 1.00 1.00 C ATOM 219 C ASP A 18 -17.506 1.789 16.487 1.00 1.00 C ATOM 220 O ASP A 18 -17.153 0.699 16.033 1.00 1.00 O ATOM 221 CB ASP A 18 -19.081 2.026 18.446 1.00 1.00 C ATOM 222 CG ASP A 18 -19.228 1.995 19.976 1.00 1.00 C ATOM 223 OD1 ASP A 18 -19.172 0.891 20.568 1.00 1.00 O ATOM 224 OD2 ASP A 18 -19.404 3.075 20.589 1.00 1.00 O ATOM 0 H ASP A 18 -17.569 3.915 18.879 1.00 1.00 H new ATOM 0 HA ASP A 18 -17.102 1.170 18.493 1.00 1.00 H new ATOM 0 HB2 ASP A 18 -19.562 2.922 18.054 1.00 1.00 H new ATOM 0 HB3 ASP A 18 -19.600 1.170 18.015 1.00 1.00 H new ATOM 229 N ALA A 19 -17.748 2.842 15.694 1.00 1.00 N ATOM 230 CA ALA A 19 -17.619 2.793 14.238 1.00 1.00 C ATOM 231 C ALA A 19 -16.148 2.637 13.811 1.00 1.00 C ATOM 232 O ALA A 19 -15.854 1.839 12.921 1.00 1.00 O ATOM 233 CB ALA A 19 -18.255 4.049 13.635 1.00 1.00 C ATOM 0 H ALA A 19 -18.039 3.753 16.049 1.00 1.00 H new ATOM 0 HA ALA A 19 -18.145 1.917 13.860 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -18.162 4.019 12.549 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -19.309 4.090 13.908 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -17.747 4.934 14.018 1.00 1.00 H new ATOM 239 N VAL A 20 -15.215 3.348 14.463 1.00 1.00 N ATOM 240 CA VAL A 20 -13.767 3.227 14.195 1.00 1.00 C ATOM 241 C VAL A 20 -13.282 1.795 14.470 1.00 1.00 C ATOM 242 O VAL A 20 -12.553 1.230 13.659 1.00 1.00 O ATOM 243 CB VAL A 20 -12.955 4.265 15.000 1.00 1.00 C ATOM 244 CG1 VAL A 20 -11.442 4.042 14.879 1.00 1.00 C ATOM 245 CG2 VAL A 20 -13.239 5.688 14.501 1.00 1.00 C ATOM 0 H VAL A 20 -15.440 4.025 15.192 1.00 1.00 H new ATOM 0 HA VAL A 20 -13.601 3.440 13.139 1.00 1.00 H new ATOM 0 HB VAL A 20 -13.264 4.142 16.038 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -10.915 4.797 15.463 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -11.189 3.051 15.255 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -11.145 4.120 13.833 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -12.656 6.401 15.083 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -12.963 5.767 13.449 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -14.300 5.909 14.615 1.00 1.00 H new ATOM 255 N ASN A 21 -13.719 1.171 15.570 1.00 1.00 N ATOM 256 CA ASN A 21 -13.381 -0.212 15.910 1.00 1.00 C ATOM 257 C ASN A 21 -13.857 -1.191 14.818 1.00 1.00 C ATOM 258 O ASN A 21 -13.077 -2.032 14.368 1.00 1.00 O ATOM 259 CB ASN A 21 -13.988 -0.520 17.288 1.00 1.00 C ATOM 260 CG ASN A 21 -13.859 -1.986 17.660 1.00 1.00 C ATOM 261 OD1 ASN A 21 -12.815 -2.460 18.085 1.00 1.00 O ATOM 262 ND2 ASN A 21 -14.916 -2.750 17.497 1.00 1.00 N ATOM 0 H ASN A 21 -14.325 1.620 16.257 1.00 1.00 H new ATOM 0 HA ASN A 21 -12.300 -0.339 15.961 1.00 1.00 H new ATOM 0 HB2 ASN A 21 -13.494 0.089 18.045 1.00 1.00 H new ATOM 0 HB3 ASN A 21 -15.041 -0.238 17.290 1.00 1.00 H new ATOM 0 HD21 ASN A 21 -14.868 -3.743 17.725 1.00 1.00 H new ATOM 0 HD22 ASN A 21 -15.785 -2.350 17.142 1.00 1.00 H new ATOM 269 N SER A 22 -15.106 -1.064 14.355 1.00 1.00 N ATOM 270 CA SER A 22 -15.645 -1.902 13.270 1.00 1.00 C ATOM 271 C SER A 22 -14.898 -1.669 11.951 1.00 1.00 C ATOM 272 O SER A 22 -14.556 -2.628 11.259 1.00 1.00 O ATOM 273 CB SER A 22 -17.141 -1.639 13.072 1.00 1.00 C ATOM 274 OG SER A 22 -17.861 -2.055 14.223 1.00 1.00 O ATOM 0 H SER A 22 -15.771 -0.381 14.718 1.00 1.00 H new ATOM 0 HA SER A 22 -15.501 -2.942 13.564 1.00 1.00 H new ATOM 0 HB2 SER A 22 -17.312 -0.578 12.889 1.00 1.00 H new ATOM 0 HB3 SER A 22 -17.500 -2.175 12.194 1.00 1.00 H new ATOM 0 HG SER A 22 -18.817 -1.883 14.091 1.00 1.00 H new ATOM 280 N LEU A 23 -14.587 -0.412 11.615 1.00 1.00 N ATOM 281 CA LEU A 23 -13.821 -0.039 10.421 1.00 1.00 C ATOM 282 C LEU A 23 -12.423 -0.674 10.432 1.00 1.00 C ATOM 283 O LEU A 23 -11.993 -1.216 9.413 1.00 1.00 O ATOM 284 CB LEU A 23 -13.770 1.499 10.356 1.00 1.00 C ATOM 285 CG LEU A 23 -13.087 2.089 9.111 1.00 1.00 C ATOM 286 CD1 LEU A 23 -13.869 1.790 7.831 1.00 1.00 C ATOM 287 CD2 LEU A 23 -13.007 3.605 9.273 1.00 1.00 C ATOM 0 H LEU A 23 -14.867 0.391 12.178 1.00 1.00 H new ATOM 0 HA LEU A 23 -14.307 -0.420 9.523 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -14.790 1.881 10.404 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -13.250 1.865 11.241 1.00 1.00 H new ATOM 0 HG LEU A 23 -12.099 1.636 9.025 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -13.350 2.226 6.977 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -13.947 0.711 7.696 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -14.868 2.220 7.906 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -12.525 4.040 8.397 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -14.012 4.014 9.374 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -12.427 3.846 10.164 1.00 1.00 H new ATOM 299 N ILE A 24 -11.741 -0.658 11.583 1.00 1.00 N ATOM 300 CA ILE A 24 -10.436 -1.307 11.776 1.00 1.00 C ATOM 301 C ILE A 24 -10.577 -2.830 11.616 1.00 1.00 C ATOM 302 O ILE A 24 -9.787 -3.435 10.894 1.00 1.00 O ATOM 303 CB ILE A 24 -9.836 -0.919 13.151 1.00 1.00 C ATOM 304 CG1 ILE A 24 -9.367 0.556 13.140 1.00 1.00 C ATOM 305 CG2 ILE A 24 -8.657 -1.836 13.529 1.00 1.00 C ATOM 306 CD1 ILE A 24 -9.104 1.117 14.545 1.00 1.00 C ATOM 0 H ILE A 24 -12.084 -0.187 12.420 1.00 1.00 H new ATOM 0 HA ILE A 24 -9.742 -0.957 11.012 1.00 1.00 H new ATOM 0 HB ILE A 24 -10.620 -1.043 13.898 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -8.456 0.636 12.547 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -10.123 1.167 12.647 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -8.259 -1.536 14.499 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -9.002 -2.869 13.581 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -7.875 -1.752 12.775 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -8.778 2.154 14.467 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -10.020 1.067 15.134 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -8.327 0.528 15.032 1.00 1.00 H new ATOM 318 N ARG A 25 -11.580 -3.457 12.250 1.00 1.00 N ATOM 319 CA ARG A 25 -11.829 -4.912 12.178 1.00 1.00 C ATOM 320 C ARG A 25 -12.052 -5.398 10.743 1.00 1.00 C ATOM 321 O ARG A 25 -11.448 -6.384 10.327 1.00 1.00 O ATOM 322 CB ARG A 25 -13.007 -5.263 13.111 1.00 1.00 C ATOM 323 CG ARG A 25 -13.235 -6.766 13.345 1.00 1.00 C ATOM 324 CD ARG A 25 -14.096 -7.463 12.280 1.00 1.00 C ATOM 325 NE ARG A 25 -14.311 -8.882 12.622 1.00 1.00 N ATOM 326 CZ ARG A 25 -14.940 -9.788 11.892 1.00 1.00 C ATOM 327 NH1 ARG A 25 -15.490 -9.510 10.744 1.00 1.00 N ATOM 328 NH2 ARG A 25 -15.030 -11.017 12.311 1.00 1.00 N ATOM 0 H ARG A 25 -12.253 -2.963 12.837 1.00 1.00 H new ATOM 0 HA ARG A 25 -10.939 -5.441 12.519 1.00 1.00 H new ATOM 0 HB2 ARG A 25 -12.841 -4.783 14.075 1.00 1.00 H new ATOM 0 HB3 ARG A 25 -13.919 -4.834 12.695 1.00 1.00 H new ATOM 0 HG2 ARG A 25 -12.266 -7.263 13.390 1.00 1.00 H new ATOM 0 HG3 ARG A 25 -13.708 -6.900 14.318 1.00 1.00 H new ATOM 0 HD2 ARG A 25 -15.057 -6.956 12.195 1.00 1.00 H new ATOM 0 HD3 ARG A 25 -13.609 -7.389 11.308 1.00 1.00 H new ATOM 0 HE ARG A 25 -13.935 -9.198 13.516 1.00 1.00 H new ATOM 0 HH11 ARG A 25 -15.446 -8.561 10.374 1.00 1.00 H new ATOM 0 HH12 ARG A 25 -15.965 -10.242 10.215 1.00 1.00 H new ATOM 0 HH21 ARG A 25 -14.615 -11.283 13.204 1.00 1.00 H new ATOM 0 HH22 ARG A 25 -15.516 -11.714 11.746 1.00 1.00 H new ATOM 342 N GLU A 26 -12.893 -4.703 9.979 1.00 1.00 N ATOM 343 CA GLU A 26 -13.206 -5.040 8.580 1.00 1.00 C ATOM 344 C GLU A 26 -12.057 -4.749 7.592 1.00 1.00 C ATOM 345 O GLU A 26 -12.090 -5.225 6.454 1.00 1.00 O ATOM 346 CB GLU A 26 -14.480 -4.295 8.142 1.00 1.00 C ATOM 347 CG GLU A 26 -15.751 -4.745 8.882 1.00 1.00 C ATOM 348 CD GLU A 26 -16.084 -6.225 8.619 1.00 1.00 C ATOM 349 OE1 GLU A 26 -16.754 -6.534 7.604 1.00 1.00 O ATOM 350 OE2 GLU A 26 -15.677 -7.088 9.433 1.00 1.00 O ATOM 0 H GLU A 26 -13.387 -3.876 10.314 1.00 1.00 H new ATOM 0 HA GLU A 26 -13.361 -6.118 8.550 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -14.337 -3.226 8.302 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -14.624 -4.440 7.071 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -15.621 -4.588 9.953 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -16.591 -4.124 8.569 1.00 1.00 H new ATOM 357 N ASN A 27 -11.040 -3.982 8.004 1.00 1.00 N ATOM 358 CA ASN A 27 -9.892 -3.582 7.180 1.00 1.00 C ATOM 359 C ASN A 27 -8.540 -3.813 7.892 1.00 1.00 C ATOM 360 O ASN A 27 -7.600 -3.031 7.731 1.00 1.00 O ATOM 361 CB ASN A 27 -10.088 -2.120 6.746 1.00 1.00 C ATOM 362 CG ASN A 27 -11.346 -1.892 5.929 1.00 1.00 C ATOM 363 OD1 ASN A 27 -11.384 -2.097 4.724 1.00 1.00 O ATOM 364 ND2 ASN A 27 -12.412 -1.457 6.562 1.00 1.00 N ATOM 0 H ASN A 27 -10.992 -3.610 8.953 1.00 1.00 H new ATOM 0 HA ASN A 27 -9.851 -4.216 6.294 1.00 1.00 H new ATOM 0 HB2 ASN A 27 -10.122 -1.488 7.633 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -9.223 -1.804 6.162 1.00 1.00 H new ATOM 0 HD21 ASN A 27 -13.277 -1.289 6.048 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -12.375 -1.288 7.567 1.00 1.00 H new ATOM 371 N SER A 28 -8.429 -4.881 8.690 1.00 1.00 N ATOM 372 CA SER A 28 -7.230 -5.240 9.475 1.00 1.00 C ATOM 373 C SER A 28 -5.922 -5.333 8.666 1.00 1.00 C ATOM 374 O SER A 28 -4.828 -5.185 9.215 1.00 1.00 O ATOM 375 CB SER A 28 -7.480 -6.553 10.222 1.00 1.00 C ATOM 376 OG SER A 28 -7.756 -7.603 9.306 1.00 1.00 O ATOM 0 H SER A 28 -9.193 -5.545 8.815 1.00 1.00 H new ATOM 0 HA SER A 28 -7.076 -4.415 10.170 1.00 1.00 H new ATOM 0 HB2 SER A 28 -6.607 -6.808 10.824 1.00 1.00 H new ATOM 0 HB3 SER A 28 -8.317 -6.433 10.910 1.00 1.00 H new ATOM 0 HG SER A 28 -7.912 -8.435 9.800 1.00 1.00 H new ATOM 382 N HIS A 29 -6.027 -5.546 7.350 1.00 1.00 N ATOM 383 CA HIS A 29 -4.915 -5.602 6.391 1.00 1.00 C ATOM 384 C HIS A 29 -4.300 -4.223 6.063 1.00 1.00 C ATOM 385 O HIS A 29 -3.213 -4.174 5.484 1.00 1.00 O ATOM 386 CB HIS A 29 -5.402 -6.320 5.119 1.00 1.00 C ATOM 387 CG HIS A 29 -6.691 -5.778 4.539 1.00 1.00 C ATOM 388 ND1 HIS A 29 -6.800 -4.718 3.638 1.00 1.00 N ATOM 389 CD2 HIS A 29 -7.944 -6.245 4.821 1.00 1.00 C ATOM 390 CE1 HIS A 29 -8.114 -4.564 3.400 1.00 1.00 C ATOM 391 NE2 HIS A 29 -8.824 -5.470 4.095 1.00 1.00 N ATOM 0 H HIS A 29 -6.932 -5.691 6.902 1.00 1.00 H new ATOM 0 HA HIS A 29 -4.103 -6.161 6.855 1.00 1.00 H new ATOM 0 HB2 HIS A 29 -4.622 -6.254 4.360 1.00 1.00 H new ATOM 0 HB3 HIS A 29 -5.538 -7.378 5.345 1.00 1.00 H new ATOM 0 HD2 HIS A 29 -8.196 -7.061 5.482 1.00 1.00 H new ATOM 0 HE1 HIS A 29 -8.539 -3.819 2.744 1.00 1.00 H new ATOM 0 HE2 HIS A 29 -9.839 -5.567 4.087 1.00 1.00 H new ATOM 399 N ILE A 30 -4.955 -3.115 6.441 1.00 1.00 N ATOM 400 CA ILE A 30 -4.504 -1.727 6.194 1.00 1.00 C ATOM 401 C ILE A 30 -4.675 -0.766 7.382 1.00 1.00 C ATOM 402 O ILE A 30 -3.934 0.216 7.467 1.00 1.00 O ATOM 403 CB ILE A 30 -5.201 -1.121 4.952 1.00 1.00 C ATOM 404 CG1 ILE A 30 -6.740 -1.262 5.005 1.00 1.00 C ATOM 405 CG2 ILE A 30 -4.596 -1.701 3.663 1.00 1.00 C ATOM 406 CD1 ILE A 30 -7.491 -0.584 3.853 1.00 1.00 C ATOM 0 H ILE A 30 -5.842 -3.156 6.943 1.00 1.00 H new ATOM 0 HA ILE A 30 -3.432 -1.825 6.024 1.00 1.00 H new ATOM 0 HB ILE A 30 -5.012 -0.048 4.954 1.00 1.00 H new ATOM 0 HG12 ILE A 30 -6.993 -2.322 5.010 1.00 1.00 H new ATOM 0 HG13 ILE A 30 -7.096 -0.845 5.947 1.00 1.00 H new ATOM 0 HG21 ILE A 30 -5.096 -1.265 2.798 1.00 1.00 H new ATOM 0 HG22 ILE A 30 -3.532 -1.467 3.623 1.00 1.00 H new ATOM 0 HG23 ILE A 30 -4.730 -2.783 3.653 1.00 1.00 H new ATOM 0 HD11 ILE A 30 -8.563 -0.738 3.977 1.00 1.00 H new ATOM 0 HD12 ILE A 30 -7.275 0.484 3.856 1.00 1.00 H new ATOM 0 HD13 ILE A 30 -7.170 -1.016 2.905 1.00 1.00 H new ATOM 418 N PHE A 31 -5.606 -1.024 8.303 1.00 1.00 N ATOM 419 CA PHE A 31 -5.869 -0.198 9.490 1.00 1.00 C ATOM 420 C PHE A 31 -5.662 -1.028 10.765 1.00 1.00 C ATOM 421 O PHE A 31 -5.879 -2.242 10.776 1.00 1.00 O ATOM 422 CB PHE A 31 -7.321 0.325 9.476 1.00 1.00 C ATOM 423 CG PHE A 31 -7.859 1.019 8.232 1.00 1.00 C ATOM 424 CD1 PHE A 31 -7.024 1.670 7.301 1.00 1.00 C ATOM 425 CD2 PHE A 31 -9.249 0.998 8.007 1.00 1.00 C ATOM 426 CE1 PHE A 31 -7.567 2.199 6.115 1.00 1.00 C ATOM 427 CE2 PHE A 31 -9.794 1.536 6.829 1.00 1.00 C ATOM 428 CZ PHE A 31 -8.948 2.118 5.873 1.00 1.00 C ATOM 0 H PHE A 31 -6.218 -1.838 8.244 1.00 1.00 H new ATOM 0 HA PHE A 31 -5.177 0.644 9.475 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -7.975 -0.522 9.685 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.425 1.021 10.308 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -5.966 1.763 7.498 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -9.903 0.564 8.748 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -6.920 2.669 5.389 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -10.860 1.502 6.660 1.00 1.00 H new ATOM 0 HZ PHE A 31 -9.359 2.504 4.951 1.00 1.00 H new ATOM 438 N SER A 32 -5.271 -0.372 11.856 1.00 1.00 N ATOM 439 CA SER A 32 -5.062 -0.996 13.169 1.00 1.00 C ATOM 440 C SER A 32 -5.244 0.004 14.316 1.00 1.00 C ATOM 441 O SER A 32 -5.312 1.218 14.111 1.00 1.00 O ATOM 442 CB SER A 32 -3.673 -1.647 13.238 1.00 1.00 C ATOM 443 OG SER A 32 -2.653 -0.670 13.277 1.00 1.00 O ATOM 0 H SER A 32 -5.085 0.631 11.856 1.00 1.00 H new ATOM 0 HA SER A 32 -5.822 -1.768 13.288 1.00 1.00 H new ATOM 0 HB2 SER A 32 -3.608 -2.280 14.123 1.00 1.00 H new ATOM 0 HB3 SER A 32 -3.528 -2.294 12.373 1.00 1.00 H new ATOM 0 HG SER A 32 -2.831 0.016 12.600 1.00 1.00 H new ATOM 449 N ASP A 33 -5.297 -0.513 15.545 1.00 1.00 N ATOM 450 CA ASP A 33 -5.439 0.262 16.785 1.00 1.00 C ATOM 451 C ASP A 33 -4.308 1.292 17.019 1.00 1.00 C ATOM 452 O ASP A 33 -4.488 2.224 17.804 1.00 1.00 O ATOM 453 CB ASP A 33 -5.499 -0.748 17.943 1.00 1.00 C ATOM 454 CG ASP A 33 -5.817 -0.096 19.296 1.00 1.00 C ATOM 455 OD1 ASP A 33 -6.919 0.487 19.429 1.00 1.00 O ATOM 456 OD2 ASP A 33 -4.997 -0.210 20.238 1.00 1.00 O ATOM 0 H ASP A 33 -5.240 -1.517 15.713 1.00 1.00 H new ATOM 0 HA ASP A 33 -6.348 0.860 16.716 1.00 1.00 H new ATOM 0 HB2 ASP A 33 -6.256 -1.500 17.722 1.00 1.00 H new ATOM 0 HB3 ASP A 33 -4.544 -1.268 18.013 1.00 1.00 H new ATOM 461 N THR A 34 -3.153 1.135 16.354 1.00 1.00 N ATOM 462 CA THR A 34 -1.966 1.999 16.523 1.00 1.00 C ATOM 463 C THR A 34 -1.278 2.455 15.227 1.00 1.00 C ATOM 464 O THR A 34 -0.258 3.142 15.306 1.00 1.00 O ATOM 465 CB THR A 34 -0.922 1.331 17.440 1.00 1.00 C ATOM 466 OG1 THR A 34 -0.559 0.061 16.933 1.00 1.00 O ATOM 467 CG2 THR A 34 -1.430 1.138 18.870 1.00 1.00 C ATOM 0 H THR A 34 -3.011 0.391 15.670 1.00 1.00 H new ATOM 0 HA THR A 34 -2.369 2.903 16.978 1.00 1.00 H new ATOM 0 HB THR A 34 -0.065 2.004 17.461 1.00 1.00 H new ATOM 0 HG1 THR A 34 0.105 -0.350 17.525 1.00 1.00 H new ATOM 0 HG21 THR A 34 -0.654 0.664 19.471 1.00 1.00 H new ATOM 0 HG22 THR A 34 -1.681 2.107 19.301 1.00 1.00 H new ATOM 0 HG23 THR A 34 -2.317 0.505 18.859 1.00 1.00 H new ATOM 475 N GLN A 35 -1.787 2.125 14.034 1.00 1.00 N ATOM 476 CA GLN A 35 -1.181 2.532 12.752 1.00 1.00 C ATOM 477 C GLN A 35 -2.149 2.424 11.558 1.00 1.00 C ATOM 478 O GLN A 35 -2.922 1.469 11.462 1.00 1.00 O ATOM 479 CB GLN A 35 0.043 1.620 12.491 1.00 1.00 C ATOM 480 CG GLN A 35 0.931 2.044 11.309 1.00 1.00 C ATOM 481 CD GLN A 35 2.017 1.008 11.028 1.00 1.00 C ATOM 482 OE1 GLN A 35 1.845 0.093 10.232 1.00 1.00 O ATOM 483 NE2 GLN A 35 3.166 1.095 11.663 1.00 1.00 N ATOM 0 H GLN A 35 -2.634 1.566 13.926 1.00 1.00 H new ATOM 0 HA GLN A 35 -0.902 3.582 12.836 1.00 1.00 H new ATOM 0 HB2 GLN A 35 0.654 1.591 13.393 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -0.311 0.604 12.314 1.00 1.00 H new ATOM 0 HG2 GLN A 35 0.316 2.178 10.420 1.00 1.00 H new ATOM 0 HG3 GLN A 35 1.392 3.007 11.526 1.00 1.00 H new ATOM 0 HE21 GLN A 35 3.325 1.851 12.329 1.00 1.00 H new ATOM 0 HE22 GLN A 35 3.898 0.406 11.489 1.00 1.00 H new ATOM 492 N CYS A 36 -2.034 3.350 10.601 1.00 1.00 N ATOM 493 CA CYS A 36 -2.759 3.341 9.324 1.00 1.00 C ATOM 494 C CYS A 36 -1.748 3.225 8.172 1.00 1.00 C ATOM 495 O CYS A 36 -0.939 4.132 7.958 1.00 1.00 O ATOM 496 CB CYS A 36 -3.595 4.615 9.165 1.00 1.00 C ATOM 497 SG CYS A 36 -4.505 4.664 7.598 1.00 1.00 S ATOM 0 H CYS A 36 -1.413 4.154 10.696 1.00 1.00 H new ATOM 0 HA CYS A 36 -3.437 2.488 9.306 1.00 1.00 H new ATOM 0 HB2 CYS A 36 -4.301 4.687 9.993 1.00 1.00 H new ATOM 0 HB3 CYS A 36 -2.940 5.484 9.228 1.00 1.00 H new ATOM 0 HG CYS A 36 -4.386 5.843 7.064 1.00 1.00 H new ATOM 502 N LYS A 37 -1.779 2.118 7.420 1.00 1.00 N ATOM 503 CA LYS A 37 -0.852 1.851 6.301 1.00 1.00 C ATOM 504 C LYS A 37 -1.214 2.594 5.010 1.00 1.00 C ATOM 505 O LYS A 37 -0.313 2.997 4.281 1.00 1.00 O ATOM 506 CB LYS A 37 -0.766 0.339 6.045 1.00 1.00 C ATOM 507 CG LYS A 37 -0.285 -0.422 7.292 1.00 1.00 C ATOM 508 CD LYS A 37 -0.002 -1.887 6.945 1.00 1.00 C ATOM 509 CE LYS A 37 0.348 -2.734 8.178 1.00 1.00 C ATOM 510 NZ LYS A 37 1.643 -2.342 8.794 1.00 1.00 N ATOM 0 H LYS A 37 -2.456 1.370 7.569 1.00 1.00 H new ATOM 0 HA LYS A 37 0.122 2.236 6.604 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -1.745 -0.036 5.745 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -0.084 0.148 5.216 1.00 1.00 H new ATOM 0 HG2 LYS A 37 0.617 0.046 7.687 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -1.042 -0.366 8.075 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -0.875 -2.314 6.452 1.00 1.00 H new ATOM 0 HD3 LYS A 37 0.821 -1.934 6.232 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -0.446 -2.636 8.918 1.00 1.00 H new ATOM 0 HE3 LYS A 37 0.390 -3.785 7.892 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 1.930 -3.063 9.486 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 2.370 -2.264 8.054 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 1.536 -1.425 9.273 1.00 1.00 H new ATOM 524 N VAL A 38 -2.503 2.836 4.740 1.00 1.00 N ATOM 525 CA VAL A 38 -2.960 3.622 3.565 1.00 1.00 C ATOM 526 C VAL A 38 -2.432 5.062 3.619 1.00 1.00 C ATOM 527 O VAL A 38 -2.130 5.663 2.586 1.00 1.00 O ATOM 528 CB VAL A 38 -4.498 3.568 3.440 1.00 1.00 C ATOM 529 CG1 VAL A 38 -5.124 4.665 2.570 1.00 1.00 C ATOM 530 CG2 VAL A 38 -4.892 2.227 2.818 1.00 1.00 C ATOM 0 H VAL A 38 -3.267 2.496 5.325 1.00 1.00 H new ATOM 0 HA VAL A 38 -2.544 3.170 2.665 1.00 1.00 H new ATOM 0 HB VAL A 38 -4.873 3.711 4.453 1.00 1.00 H new ATOM 0 HG11 VAL A 38 -6.206 4.538 2.547 1.00 1.00 H new ATOM 0 HG12 VAL A 38 -4.882 5.643 2.987 1.00 1.00 H new ATOM 0 HG13 VAL A 38 -4.729 4.595 1.556 1.00 1.00 H new ATOM 0 HG21 VAL A 38 -5.977 2.174 2.723 1.00 1.00 H new ATOM 0 HG22 VAL A 38 -4.437 2.136 1.832 1.00 1.00 H new ATOM 0 HG23 VAL A 38 -4.544 1.414 3.455 1.00 1.00 H new ATOM 540 N CYS A 39 -2.272 5.611 4.825 1.00 1.00 N ATOM 541 CA CYS A 39 -1.754 6.951 5.072 1.00 1.00 C ATOM 542 C CYS A 39 -0.331 6.935 5.677 1.00 1.00 C ATOM 543 O CYS A 39 0.168 7.983 6.088 1.00 1.00 O ATOM 544 CB CYS A 39 -2.771 7.641 5.982 1.00 1.00 C ATOM 545 SG CYS A 39 -4.460 7.698 5.311 1.00 1.00 S ATOM 0 H CYS A 39 -2.509 5.114 5.684 1.00 1.00 H new ATOM 0 HA CYS A 39 -1.639 7.499 4.137 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -2.791 7.124 6.942 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -2.435 8.660 6.176 1.00 1.00 H new ATOM 0 HG CYS A 39 -5.302 7.310 6.222 1.00 1.00 H new ATOM 550 N SER A 40 0.310 5.756 5.721 1.00 1.00 N ATOM 551 CA SER A 40 1.644 5.458 6.275 1.00 1.00 C ATOM 552 C SER A 40 1.997 6.285 7.520 1.00 1.00 C ATOM 553 O SER A 40 3.007 6.995 7.561 1.00 1.00 O ATOM 554 CB SER A 40 2.729 5.575 5.190 1.00 1.00 C ATOM 555 OG SER A 40 2.454 4.722 4.090 1.00 1.00 O ATOM 0 H SER A 40 -0.126 4.917 5.339 1.00 1.00 H new ATOM 0 HA SER A 40 1.605 4.424 6.617 1.00 1.00 H new ATOM 0 HB2 SER A 40 2.792 6.607 4.845 1.00 1.00 H new ATOM 0 HB3 SER A 40 3.700 5.322 5.615 1.00 1.00 H new ATOM 0 HG SER A 40 1.680 4.159 4.299 1.00 1.00 H new ATOM 561 N ALA A 41 1.130 6.211 8.533 1.00 1.00 N ATOM 562 CA ALA A 41 1.238 6.985 9.772 1.00 1.00 C ATOM 563 C ALA A 41 0.939 6.159 11.032 1.00 1.00 C ATOM 564 O ALA A 41 0.062 5.289 11.038 1.00 1.00 O ATOM 565 CB ALA A 41 0.284 8.184 9.668 1.00 1.00 C ATOM 0 H ALA A 41 0.315 5.598 8.514 1.00 1.00 H new ATOM 0 HA ALA A 41 2.271 7.316 9.880 1.00 1.00 H new ATOM 0 HB1 ALA A 41 0.345 8.778 10.580 1.00 1.00 H new ATOM 0 HB2 ALA A 41 0.566 8.800 8.814 1.00 1.00 H new ATOM 0 HB3 ALA A 41 -0.737 7.826 9.536 1.00 1.00 H new ATOM 571 N VAL A 42 1.656 6.466 12.116 1.00 1.00 N ATOM 572 CA VAL A 42 1.498 5.832 13.435 1.00 1.00 C ATOM 573 C VAL A 42 0.484 6.636 14.265 1.00 1.00 C ATOM 574 O VAL A 42 0.349 7.851 14.108 1.00 1.00 O ATOM 575 CB VAL A 42 2.855 5.709 14.167 1.00 1.00 C ATOM 576 CG1 VAL A 42 2.766 4.767 15.376 1.00 1.00 C ATOM 577 CG2 VAL A 42 3.955 5.137 13.257 1.00 1.00 C ATOM 0 H VAL A 42 2.383 7.181 12.104 1.00 1.00 H new ATOM 0 HA VAL A 42 1.121 4.818 13.299 1.00 1.00 H new ATOM 0 HB VAL A 42 3.102 6.724 14.478 1.00 1.00 H new ATOM 0 HG11 VAL A 42 3.739 4.707 15.863 1.00 1.00 H new ATOM 0 HG12 VAL A 42 2.030 5.150 16.082 1.00 1.00 H new ATOM 0 HG13 VAL A 42 2.466 3.774 15.042 1.00 1.00 H new ATOM 0 HG21 VAL A 42 4.889 5.069 13.814 1.00 1.00 H new ATOM 0 HG22 VAL A 42 3.664 4.144 12.914 1.00 1.00 H new ATOM 0 HG23 VAL A 42 4.093 5.792 12.397 1.00 1.00 H new ATOM 587 N LEU A 43 -0.249 5.941 15.132 1.00 1.00 N ATOM 588 CA LEU A 43 -1.351 6.433 15.963 1.00 1.00 C ATOM 589 C LEU A 43 -1.109 5.981 17.418 1.00 1.00 C ATOM 590 O LEU A 43 -1.802 5.111 17.945 1.00 1.00 O ATOM 591 CB LEU A 43 -2.672 5.896 15.355 1.00 1.00 C ATOM 592 CG LEU A 43 -2.901 6.225 13.863 1.00 1.00 C ATOM 593 CD1 LEU A 43 -4.066 5.412 13.297 1.00 1.00 C ATOM 594 CD2 LEU A 43 -3.180 7.710 13.646 1.00 1.00 C ATOM 0 H LEU A 43 -0.078 4.947 15.285 1.00 1.00 H new ATOM 0 HA LEU A 43 -1.414 7.521 15.981 1.00 1.00 H new ATOM 0 HB2 LEU A 43 -2.694 4.813 15.478 1.00 1.00 H new ATOM 0 HB3 LEU A 43 -3.506 6.299 15.930 1.00 1.00 H new ATOM 0 HG LEU A 43 -1.982 5.962 13.340 1.00 1.00 H new ATOM 0 HD11 LEU A 43 -4.207 5.662 12.245 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -3.847 4.348 13.391 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -4.976 5.646 13.850 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -3.335 7.900 12.584 1.00 1.00 H new ATOM 0 HD22 LEU A 43 -4.073 7.997 14.200 1.00 1.00 H new ATOM 0 HD23 LEU A 43 -2.331 8.295 13.999 1.00 1.00 H new ATOM 606 N ILE A 44 -0.065 6.529 18.054 1.00 1.00 N ATOM 607 CA ILE A 44 0.402 6.137 19.405 1.00 1.00 C ATOM 608 C ILE A 44 -0.592 6.380 20.562 1.00 1.00 C ATOM 609 O ILE A 44 -0.358 5.892 21.671 1.00 1.00 O ATOM 610 CB ILE A 44 1.786 6.746 19.736 1.00 1.00 C ATOM 611 CG1 ILE A 44 1.759 8.287 19.831 1.00 1.00 C ATOM 612 CG2 ILE A 44 2.842 6.267 18.724 1.00 1.00 C ATOM 613 CD1 ILE A 44 3.039 8.893 20.419 1.00 1.00 C ATOM 0 H ILE A 44 0.496 7.274 17.641 1.00 1.00 H new ATOM 0 HA ILE A 44 0.488 5.053 19.337 1.00 1.00 H new ATOM 0 HB ILE A 44 2.062 6.387 20.727 1.00 1.00 H new ATOM 0 HG12 ILE A 44 1.596 8.700 18.836 1.00 1.00 H new ATOM 0 HG13 ILE A 44 0.910 8.589 20.444 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.809 6.705 18.972 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.916 5.180 18.762 1.00 1.00 H new ATOM 0 HG23 ILE A 44 2.551 6.576 17.720 1.00 1.00 H new ATOM 0 HD11 ILE A 44 2.945 9.978 20.454 1.00 1.00 H new ATOM 0 HD12 ILE A 44 3.193 8.510 21.428 1.00 1.00 H new ATOM 0 HD13 ILE A 44 3.890 8.622 19.794 1.00 1.00 H new ATOM 625 N SER A 45 -1.697 7.088 20.315 1.00 1.00 N ATOM 626 CA SER A 45 -2.752 7.387 21.297 1.00 1.00 C ATOM 627 C SER A 45 -4.140 7.225 20.675 1.00 1.00 C ATOM 628 O SER A 45 -4.328 7.456 19.479 1.00 1.00 O ATOM 629 CB SER A 45 -2.608 8.824 21.825 1.00 1.00 C ATOM 630 OG SER A 45 -1.366 9.010 22.487 1.00 1.00 O ATOM 0 H SER A 45 -1.892 7.484 19.396 1.00 1.00 H new ATOM 0 HA SER A 45 -2.643 6.682 22.121 1.00 1.00 H new ATOM 0 HB2 SER A 45 -2.690 9.528 20.997 1.00 1.00 H new ATOM 0 HB3 SER A 45 -3.425 9.045 22.512 1.00 1.00 H new ATOM 0 HG SER A 45 -1.303 9.933 22.810 1.00 1.00 H new ATOM 636 N GLU A 46 -5.138 6.858 21.484 1.00 1.00 N ATOM 637 CA GLU A 46 -6.523 6.689 21.021 1.00 1.00 C ATOM 638 C GLU A 46 -7.087 7.972 20.391 1.00 1.00 C ATOM 639 O GLU A 46 -7.760 7.898 19.368 1.00 1.00 O ATOM 640 CB GLU A 46 -7.394 6.176 22.176 1.00 1.00 C ATOM 641 CG GLU A 46 -8.833 5.900 21.724 1.00 1.00 C ATOM 642 CD GLU A 46 -9.487 4.823 22.597 1.00 1.00 C ATOM 643 OE1 GLU A 46 -9.326 3.624 22.266 1.00 1.00 O ATOM 644 OE2 GLU A 46 -10.191 5.165 23.579 1.00 1.00 O ATOM 0 H GLU A 46 -5.011 6.669 22.478 1.00 1.00 H new ATOM 0 HA GLU A 46 -6.532 5.944 20.225 1.00 1.00 H new ATOM 0 HB2 GLU A 46 -6.959 5.263 22.582 1.00 1.00 H new ATOM 0 HB3 GLU A 46 -7.400 6.911 22.981 1.00 1.00 H new ATOM 0 HG2 GLU A 46 -9.417 6.819 21.776 1.00 1.00 H new ATOM 0 HG3 GLU A 46 -8.835 5.579 20.682 1.00 1.00 H new ATOM 651 N SER A 47 -6.766 9.153 20.928 1.00 1.00 N ATOM 652 CA SER A 47 -7.188 10.433 20.341 1.00 1.00 C ATOM 653 C SER A 47 -6.660 10.620 18.912 1.00 1.00 C ATOM 654 O SER A 47 -7.409 11.059 18.039 1.00 1.00 O ATOM 655 CB SER A 47 -6.751 11.598 21.229 1.00 1.00 C ATOM 656 OG SER A 47 -5.355 11.533 21.496 1.00 1.00 O ATOM 0 H SER A 47 -6.209 9.251 21.777 1.00 1.00 H new ATOM 0 HA SER A 47 -8.276 10.417 20.283 1.00 1.00 H new ATOM 0 HB2 SER A 47 -6.989 12.543 20.740 1.00 1.00 H new ATOM 0 HB3 SER A 47 -7.307 11.575 22.166 1.00 1.00 H new ATOM 0 HG SER A 47 -5.095 12.288 22.064 1.00 1.00 H new ATOM 662 N GLN A 48 -5.407 10.229 18.641 1.00 1.00 N ATOM 663 CA GLN A 48 -4.829 10.269 17.292 1.00 1.00 C ATOM 664 C GLN A 48 -5.568 9.297 16.369 1.00 1.00 C ATOM 665 O GLN A 48 -5.929 9.677 15.256 1.00 1.00 O ATOM 666 CB GLN A 48 -3.335 9.905 17.321 1.00 1.00 C ATOM 667 CG GLN A 48 -2.494 10.981 18.014 1.00 1.00 C ATOM 668 CD GLN A 48 -1.091 10.486 18.348 1.00 1.00 C ATOM 669 OE1 GLN A 48 -0.493 9.675 17.654 1.00 1.00 O ATOM 670 NE2 GLN A 48 -0.529 10.932 19.450 1.00 1.00 N ATOM 0 H GLN A 48 -4.766 9.876 19.352 1.00 1.00 H new ATOM 0 HA GLN A 48 -4.936 11.286 16.914 1.00 1.00 H new ATOM 0 HB2 GLN A 48 -3.204 8.954 17.838 1.00 1.00 H new ATOM 0 HB3 GLN A 48 -2.976 9.766 16.301 1.00 1.00 H new ATOM 0 HG2 GLN A 48 -2.425 11.857 17.369 1.00 1.00 H new ATOM 0 HG3 GLN A 48 -2.994 11.297 18.930 1.00 1.00 H new ATOM 0 HE21 GLN A 48 -1.020 11.608 20.035 1.00 1.00 H new ATOM 0 HE22 GLN A 48 0.398 10.602 19.720 1.00 1.00 H new ATOM 679 N LYS A 49 -5.838 8.067 16.829 1.00 1.00 N ATOM 680 CA LYS A 49 -6.568 7.054 16.048 1.00 1.00 C ATOM 681 C LYS A 49 -7.984 7.526 15.703 1.00 1.00 C ATOM 682 O LYS A 49 -8.388 7.479 14.543 1.00 1.00 O ATOM 683 CB LYS A 49 -6.487 5.682 16.774 1.00 1.00 C ATOM 684 CG LYS A 49 -7.804 5.085 17.305 1.00 1.00 C ATOM 685 CD LYS A 49 -7.588 3.833 18.167 1.00 1.00 C ATOM 686 CE LYS A 49 -8.956 3.367 18.681 1.00 1.00 C ATOM 687 NZ LYS A 49 -8.853 2.396 19.798 1.00 1.00 N ATOM 0 H LYS A 49 -5.556 7.744 17.755 1.00 1.00 H new ATOM 0 HA LYS A 49 -6.094 6.912 15.077 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -6.043 4.962 16.086 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -5.800 5.785 17.614 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -8.328 5.839 17.893 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -8.449 4.833 16.463 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -7.113 3.046 17.582 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -6.923 4.056 19.002 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -9.529 4.234 19.011 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -9.511 2.912 17.861 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -9.614 1.692 19.717 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -7.931 1.916 19.757 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -8.941 2.899 20.704 1.00 1.00 H new ATOM 701 N LEU A 50 -8.713 8.045 16.691 1.00 1.00 N ATOM 702 CA LEU A 50 -10.072 8.561 16.520 1.00 1.00 C ATOM 703 C LEU A 50 -10.110 9.769 15.576 1.00 1.00 C ATOM 704 O LEU A 50 -10.989 9.828 14.716 1.00 1.00 O ATOM 705 CB LEU A 50 -10.701 8.876 17.894 1.00 1.00 C ATOM 706 CG LEU A 50 -11.018 7.639 18.764 1.00 1.00 C ATOM 707 CD1 LEU A 50 -11.782 8.062 20.017 1.00 1.00 C ATOM 708 CD2 LEU A 50 -11.866 6.583 18.056 1.00 1.00 C ATOM 0 H LEU A 50 -8.370 8.120 17.649 1.00 1.00 H new ATOM 0 HA LEU A 50 -10.674 7.786 16.045 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -10.023 9.527 18.447 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -11.622 9.436 17.735 1.00 1.00 H new ATOM 0 HG LEU A 50 -10.049 7.198 18.999 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -12.001 7.183 20.624 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -11.176 8.760 20.595 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -12.715 8.545 19.728 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -12.045 5.747 18.732 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -12.819 7.021 17.760 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -11.339 6.227 17.171 1.00 1.00 H new ATOM 720 N ALA A 51 -9.174 10.712 15.685 1.00 1.00 N ATOM 721 CA ALA A 51 -9.118 11.862 14.785 1.00 1.00 C ATOM 722 C ALA A 51 -8.704 11.463 13.358 1.00 1.00 C ATOM 723 O ALA A 51 -9.298 11.943 12.391 1.00 1.00 O ATOM 724 CB ALA A 51 -8.161 12.904 15.375 1.00 1.00 C ATOM 0 H ALA A 51 -8.440 10.700 16.393 1.00 1.00 H new ATOM 0 HA ALA A 51 -10.117 12.290 14.699 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -8.110 13.768 14.712 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -8.524 13.218 16.354 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -7.168 12.468 15.479 1.00 1.00 H new ATOM 730 N HIS A 52 -7.715 10.574 13.207 1.00 1.00 N ATOM 731 CA HIS A 52 -7.236 10.129 11.900 1.00 1.00 C ATOM 732 C HIS A 52 -8.316 9.374 11.114 1.00 1.00 C ATOM 733 O HIS A 52 -8.605 9.733 9.972 1.00 1.00 O ATOM 734 CB HIS A 52 -5.987 9.257 12.091 1.00 1.00 C ATOM 735 CG HIS A 52 -5.329 8.895 10.788 1.00 1.00 C ATOM 736 ND1 HIS A 52 -4.239 9.528 10.233 1.00 1.00 N ATOM 737 CD2 HIS A 52 -5.743 7.942 9.896 1.00 1.00 C ATOM 738 CE1 HIS A 52 -4.012 8.984 9.027 1.00 1.00 C ATOM 739 NE2 HIS A 52 -4.911 8.017 8.776 1.00 1.00 N ATOM 0 H HIS A 52 -7.226 10.144 13.992 1.00 1.00 H new ATOM 0 HA HIS A 52 -6.982 11.009 11.310 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -5.272 9.787 12.720 1.00 1.00 H new ATOM 0 HB3 HIS A 52 -6.263 8.345 12.620 1.00 1.00 H new ATOM 0 HD1 HIS A 52 -3.699 10.279 10.663 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -6.565 7.255 10.034 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -3.220 9.281 8.355 1.00 1.00 H new ATOM 747 N TYR A 53 -8.949 8.361 11.719 1.00 1.00 N ATOM 748 CA TYR A 53 -9.982 7.565 11.045 1.00 1.00 C ATOM 749 C TYR A 53 -11.280 8.338 10.749 1.00 1.00 C ATOM 750 O TYR A 53 -12.042 7.906 9.887 1.00 1.00 O ATOM 751 CB TYR A 53 -10.228 6.253 11.812 1.00 1.00 C ATOM 752 CG TYR A 53 -9.044 5.291 11.792 1.00 1.00 C ATOM 753 CD1 TYR A 53 -8.503 4.864 10.561 1.00 1.00 C ATOM 754 CD2 TYR A 53 -8.483 4.816 12.993 1.00 1.00 C ATOM 755 CE1 TYR A 53 -7.393 3.998 10.532 1.00 1.00 C ATOM 756 CE2 TYR A 53 -7.374 3.948 12.971 1.00 1.00 C ATOM 757 CZ TYR A 53 -6.825 3.538 11.738 1.00 1.00 C ATOM 758 OH TYR A 53 -5.761 2.696 11.713 1.00 1.00 O ATOM 0 H TYR A 53 -8.762 8.072 12.679 1.00 1.00 H new ATOM 0 HA TYR A 53 -9.595 7.317 10.057 1.00 1.00 H new ATOM 0 HB2 TYR A 53 -10.473 6.490 12.847 1.00 1.00 H new ATOM 0 HB3 TYR A 53 -11.097 5.752 11.385 1.00 1.00 H new ATOM 0 HD1 TYR A 53 -8.943 5.203 9.635 1.00 1.00 H new ATOM 0 HD2 TYR A 53 -8.907 5.120 13.939 1.00 1.00 H new ATOM 0 HE1 TYR A 53 -6.976 3.686 9.586 1.00 1.00 H new ATOM 0 HE2 TYR A 53 -6.944 3.597 13.897 1.00 1.00 H new ATOM 0 HH TYR A 53 -5.649 2.284 12.595 1.00 1.00 H new ATOM 768 N GLN A 54 -11.529 9.480 11.405 1.00 1.00 N ATOM 769 CA GLN A 54 -12.697 10.347 11.159 1.00 1.00 C ATOM 770 C GLN A 54 -12.385 11.546 10.230 1.00 1.00 C ATOM 771 O GLN A 54 -13.304 12.264 9.832 1.00 1.00 O ATOM 772 CB GLN A 54 -13.271 10.848 12.499 1.00 1.00 C ATOM 773 CG GLN A 54 -13.910 9.725 13.329 1.00 1.00 C ATOM 774 CD GLN A 54 -14.464 10.236 14.656 1.00 1.00 C ATOM 775 OE1 GLN A 54 -15.662 10.398 14.851 1.00 1.00 O ATOM 776 NE2 GLN A 54 -13.613 10.510 15.618 1.00 1.00 N ATOM 0 H GLN A 54 -10.914 9.837 12.136 1.00 1.00 H new ATOM 0 HA GLN A 54 -13.436 9.738 10.639 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -12.474 11.314 13.079 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -14.016 11.619 12.304 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -14.713 9.263 12.755 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -13.168 8.950 13.521 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -12.613 10.379 15.467 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -13.952 10.854 16.516 1.00 1.00 H new ATOM 785 N SER A 55 -11.115 11.791 9.884 1.00 1.00 N ATOM 786 CA SER A 55 -10.688 12.903 9.014 1.00 1.00 C ATOM 787 C SER A 55 -11.000 12.691 7.521 1.00 1.00 C ATOM 788 O SER A 55 -10.878 11.584 6.989 1.00 1.00 O ATOM 789 CB SER A 55 -9.176 13.114 9.169 1.00 1.00 C ATOM 790 OG SER A 55 -8.730 14.168 8.328 1.00 1.00 O ATOM 0 H SER A 55 -10.338 11.213 10.205 1.00 1.00 H new ATOM 0 HA SER A 55 -11.258 13.774 9.336 1.00 1.00 H new ATOM 0 HB2 SER A 55 -8.940 13.346 10.208 1.00 1.00 H new ATOM 0 HB3 SER A 55 -8.647 12.194 8.920 1.00 1.00 H new ATOM 0 HG SER A 55 -7.764 14.290 8.441 1.00 1.00 H new ATOM 796 N ARG A 56 -11.315 13.785 6.807 1.00 1.00 N ATOM 797 CA ARG A 56 -11.518 13.800 5.341 1.00 1.00 C ATOM 798 C ARG A 56 -10.256 13.388 4.573 1.00 1.00 C ATOM 799 O ARG A 56 -10.371 12.826 3.482 1.00 1.00 O ATOM 800 CB ARG A 56 -11.987 15.196 4.884 1.00 1.00 C ATOM 801 CG ARG A 56 -13.460 15.509 5.203 1.00 1.00 C ATOM 802 CD ARG A 56 -14.435 14.689 4.341 1.00 1.00 C ATOM 803 NE ARG A 56 -15.820 15.182 4.470 1.00 1.00 N ATOM 804 CZ ARG A 56 -16.867 14.779 3.770 1.00 1.00 C ATOM 805 NH1 ARG A 56 -16.805 13.824 2.889 1.00 1.00 N ATOM 806 NH2 ARG A 56 -18.035 15.324 3.933 1.00 1.00 N ATOM 0 H ARG A 56 -11.439 14.702 7.236 1.00 1.00 H new ATOM 0 HA ARG A 56 -12.289 13.064 5.114 1.00 1.00 H new ATOM 0 HB2 ARG A 56 -11.358 15.950 5.357 1.00 1.00 H new ATOM 0 HB3 ARG A 56 -11.835 15.283 3.808 1.00 1.00 H new ATOM 0 HG2 ARG A 56 -13.652 15.305 6.257 1.00 1.00 H new ATOM 0 HG3 ARG A 56 -13.645 16.571 5.045 1.00 1.00 H new ATOM 0 HD2 ARG A 56 -14.127 14.737 3.297 1.00 1.00 H new ATOM 0 HD3 ARG A 56 -14.392 13.641 4.638 1.00 1.00 H new ATOM 0 HE ARG A 56 -15.986 15.906 5.169 1.00 1.00 H new ATOM 0 HH11 ARG A 56 -15.919 13.349 2.713 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -17.642 13.550 2.375 1.00 1.00 H new ATOM 0 HH21 ARG A 56 -18.156 16.077 4.611 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -18.831 14.999 3.383 1.00 1.00 H new ATOM 820 N LYS A 57 -9.058 13.614 5.133 1.00 1.00 N ATOM 821 CA LYS A 57 -7.777 13.204 4.524 1.00 1.00 C ATOM 822 C LYS A 57 -7.715 11.682 4.353 1.00 1.00 C ATOM 823 O LYS A 57 -7.332 11.196 3.289 1.00 1.00 O ATOM 824 CB LYS A 57 -6.615 13.739 5.382 1.00 1.00 C ATOM 825 CG LYS A 57 -5.206 13.416 4.852 1.00 1.00 C ATOM 826 CD LYS A 57 -4.938 13.976 3.444 1.00 1.00 C ATOM 827 CE LYS A 57 -3.490 13.749 2.985 1.00 1.00 C ATOM 828 NZ LYS A 57 -2.518 14.610 3.714 1.00 1.00 N ATOM 0 H LYS A 57 -8.947 14.090 6.028 1.00 1.00 H new ATOM 0 HA LYS A 57 -7.692 13.632 3.525 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -6.715 14.821 5.466 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -6.710 13.331 6.388 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -4.465 13.820 5.542 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -5.071 12.334 4.836 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -5.618 13.506 2.734 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -5.155 15.044 3.434 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -3.225 12.702 3.133 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -3.416 13.948 1.916 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -1.558 14.431 3.355 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -2.761 15.610 3.566 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -2.554 14.391 4.730 1.00 1.00 H new ATOM 842 N HIS A 58 -8.156 10.940 5.372 1.00 1.00 N ATOM 843 CA HIS A 58 -8.233 9.477 5.344 1.00 1.00 C ATOM 844 C HIS A 58 -9.202 8.995 4.260 1.00 1.00 C ATOM 845 O HIS A 58 -8.838 8.133 3.465 1.00 1.00 O ATOM 846 CB HIS A 58 -8.617 8.961 6.736 1.00 1.00 C ATOM 847 CG HIS A 58 -8.598 7.459 6.843 1.00 1.00 C ATOM 848 ND1 HIS A 58 -7.451 6.679 7.013 1.00 1.00 N ATOM 849 CD2 HIS A 58 -9.687 6.641 6.763 1.00 1.00 C ATOM 850 CE1 HIS A 58 -7.880 5.409 7.042 1.00 1.00 C ATOM 851 NE2 HIS A 58 -9.215 5.353 6.897 1.00 1.00 N ATOM 0 H HIS A 58 -8.474 11.345 6.253 1.00 1.00 H new ATOM 0 HA HIS A 58 -7.256 9.068 5.086 1.00 1.00 H new ATOM 0 HB2 HIS A 58 -7.931 9.379 7.472 1.00 1.00 H new ATOM 0 HB3 HIS A 58 -9.614 9.323 6.987 1.00 1.00 H new ATOM 0 HD2 HIS A 58 -10.714 6.943 6.623 1.00 1.00 H new ATOM 0 HE1 HIS A 58 -7.240 4.548 7.165 1.00 1.00 H new ATOM 0 HE2 HIS A 58 -9.781 4.504 6.888 1.00 1.00 H new ATOM 859 N ALA A 59 -10.401 9.588 4.158 1.00 1.00 N ATOM 860 CA ALA A 59 -11.369 9.245 3.107 1.00 1.00 C ATOM 861 C ALA A 59 -10.795 9.444 1.692 1.00 1.00 C ATOM 862 O ALA A 59 -10.969 8.578 0.831 1.00 1.00 O ATOM 863 CB ALA A 59 -12.647 10.072 3.291 1.00 1.00 C ATOM 0 H ALA A 59 -10.725 10.314 4.797 1.00 1.00 H new ATOM 0 HA ALA A 59 -11.602 8.185 3.205 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -13.362 9.815 2.510 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -13.082 9.857 4.267 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -12.406 11.133 3.227 1.00 1.00 H new ATOM 869 N ASN A 60 -10.081 10.552 1.453 1.00 1.00 N ATOM 870 CA ASN A 60 -9.440 10.833 0.165 1.00 1.00 C ATOM 871 C ASN A 60 -8.355 9.790 -0.160 1.00 1.00 C ATOM 872 O ASN A 60 -8.347 9.234 -1.262 1.00 1.00 O ATOM 873 CB ASN A 60 -8.876 12.267 0.168 1.00 1.00 C ATOM 874 CG ASN A 60 -9.938 13.301 -0.168 1.00 1.00 C ATOM 875 OD1 ASN A 60 -10.123 13.680 -1.316 1.00 1.00 O ATOM 876 ND2 ASN A 60 -10.681 13.782 0.802 1.00 1.00 N ATOM 0 H ASN A 60 -9.932 11.280 2.151 1.00 1.00 H new ATOM 0 HA ASN A 60 -10.187 10.760 -0.625 1.00 1.00 H new ATOM 0 HB2 ASN A 60 -8.454 12.488 1.148 1.00 1.00 H new ATOM 0 HB3 ASN A 60 -8.062 12.337 -0.553 1.00 1.00 H new ATOM 0 HD21 ASN A 60 -11.407 14.468 0.596 1.00 1.00 H new ATOM 0 HD22 ASN A 60 -10.532 13.470 1.762 1.00 1.00 H new ATOM 883 N LYS A 61 -7.474 9.468 0.799 1.00 1.00 N ATOM 884 CA LYS A 61 -6.438 8.434 0.619 1.00 1.00 C ATOM 885 C LYS A 61 -7.044 7.046 0.386 1.00 1.00 C ATOM 886 O LYS A 61 -6.577 6.328 -0.497 1.00 1.00 O ATOM 887 CB LYS A 61 -5.461 8.436 1.802 1.00 1.00 C ATOM 888 CG LYS A 61 -4.525 9.664 1.782 1.00 1.00 C ATOM 889 CD LYS A 61 -3.056 9.292 2.032 1.00 1.00 C ATOM 890 CE LYS A 61 -2.477 8.476 0.864 1.00 1.00 C ATOM 891 NZ LYS A 61 -1.120 7.945 1.154 1.00 1.00 N ATOM 0 H LYS A 61 -7.457 9.913 1.717 1.00 1.00 H new ATOM 0 HA LYS A 61 -5.877 8.681 -0.282 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -6.023 8.425 2.736 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -4.863 7.525 1.779 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -4.610 10.165 0.818 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -4.850 10.376 2.541 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -2.468 10.199 2.171 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -2.977 8.717 2.954 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -3.147 7.646 0.638 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -2.435 9.103 -0.027 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -0.623 7.755 0.260 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -0.584 8.645 1.706 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -1.202 7.063 1.699 1.00 1.00 H new ATOM 905 N VAL A 62 -8.106 6.682 1.110 1.00 1.00 N ATOM 906 CA VAL A 62 -8.832 5.414 0.904 1.00 1.00 C ATOM 907 C VAL A 62 -9.449 5.372 -0.498 1.00 1.00 C ATOM 908 O VAL A 62 -9.323 4.350 -1.168 1.00 1.00 O ATOM 909 CB VAL A 62 -9.878 5.177 2.011 1.00 1.00 C ATOM 910 CG1 VAL A 62 -10.822 4.005 1.711 1.00 1.00 C ATOM 911 CG2 VAL A 62 -9.166 4.846 3.329 1.00 1.00 C ATOM 0 H VAL A 62 -8.492 7.256 1.859 1.00 1.00 H new ATOM 0 HA VAL A 62 -8.118 4.593 0.973 1.00 1.00 H new ATOM 0 HB VAL A 62 -10.464 6.094 2.072 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -11.533 3.892 2.529 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -11.362 4.201 0.785 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -10.242 3.088 1.606 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -9.907 4.679 4.111 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -8.564 3.946 3.201 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -8.521 5.677 3.613 1.00 1.00 H new ATOM 1397 N SER A 94 8.220 -25.963 -27.192 1.00 1.00 N ATOM 1398 CA SER A 94 8.295 -25.025 -26.063 1.00 1.00 C ATOM 1399 C SER A 94 7.225 -25.273 -24.987 1.00 1.00 C ATOM 1400 O SER A 94 7.436 -24.905 -23.829 1.00 1.00 O ATOM 1401 CB SER A 94 8.137 -23.592 -26.583 1.00 1.00 C ATOM 1402 OG SER A 94 9.179 -23.290 -27.497 1.00 1.00 O ATOM 0 HA SER A 94 9.268 -25.180 -25.596 1.00 1.00 H new ATOM 0 HB2 SER A 94 7.169 -23.478 -27.072 1.00 1.00 H new ATOM 0 HB3 SER A 94 8.158 -22.890 -25.750 1.00 1.00 H new ATOM 0 HG SER A 94 9.499 -24.117 -27.914 1.00 1.00 H new ATOM 1408 N LYS A 95 6.091 -25.898 -25.351 1.00 1.00 N ATOM 1409 CA LYS A 95 4.982 -26.222 -24.436 1.00 1.00 C ATOM 1410 C LYS A 95 4.927 -27.699 -24.034 1.00 1.00 C ATOM 1411 O LYS A 95 4.518 -27.994 -22.910 1.00 1.00 O ATOM 1412 CB LYS A 95 3.632 -25.843 -25.075 1.00 1.00 C ATOM 1413 CG LYS A 95 3.550 -24.394 -25.581 1.00 1.00 C ATOM 1414 CD LYS A 95 2.088 -24.006 -25.855 1.00 1.00 C ATOM 1415 CE LYS A 95 1.990 -22.634 -26.535 1.00 1.00 C ATOM 1416 NZ LYS A 95 1.923 -22.752 -28.015 1.00 1.00 N ATOM 0 H LYS A 95 5.916 -26.198 -26.310 1.00 1.00 H new ATOM 0 HA LYS A 95 5.168 -25.640 -23.533 1.00 1.00 H new ATOM 0 HB2 LYS A 95 3.437 -26.517 -25.909 1.00 1.00 H new ATOM 0 HB3 LYS A 95 2.840 -26.004 -24.343 1.00 1.00 H new ATOM 0 HG2 LYS A 95 3.980 -23.719 -24.841 1.00 1.00 H new ATOM 0 HG3 LYS A 95 4.139 -24.286 -26.492 1.00 1.00 H new ATOM 0 HD2 LYS A 95 1.622 -24.761 -26.488 1.00 1.00 H new ATOM 0 HD3 LYS A 95 1.533 -23.989 -24.917 1.00 1.00 H new ATOM 0 HE2 LYS A 95 1.105 -22.111 -26.172 1.00 1.00 H new ATOM 0 HE3 LYS A 95 2.853 -22.029 -26.258 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 1.858 -21.803 -28.436 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 2.779 -23.228 -28.364 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 1.085 -23.308 -28.281 1.00 1.00 H new ATOM 1430 N CYS A 96 5.310 -28.625 -24.917 1.00 1.00 N ATOM 1431 CA CYS A 96 5.237 -30.066 -24.652 1.00 1.00 C ATOM 1432 C CYS A 96 6.286 -30.935 -25.367 1.00 1.00 C ATOM 1433 O CYS A 96 7.008 -30.497 -26.262 1.00 1.00 O ATOM 1434 CB CYS A 96 3.819 -30.546 -25.010 1.00 1.00 C ATOM 1435 SG CYS A 96 3.610 -30.601 -26.815 1.00 1.00 S ATOM 0 H CYS A 96 5.681 -28.397 -25.839 1.00 1.00 H new ATOM 0 HA CYS A 96 5.466 -30.193 -23.594 1.00 1.00 H new ATOM 0 HB2 CYS A 96 3.644 -31.535 -24.586 1.00 1.00 H new ATOM 0 HB3 CYS A 96 3.079 -29.876 -24.571 1.00 1.00 H new ATOM 0 HG CYS A 96 2.410 -31.010 -27.101 1.00 1.00 H new ATOM 1441 N CYS A 97 6.321 -32.209 -24.979 1.00 1.00 N ATOM 1442 CA CYS A 97 7.171 -33.252 -25.534 1.00 1.00 C ATOM 1443 C CYS A 97 6.333 -34.528 -25.733 1.00 1.00 C ATOM 1444 O CYS A 97 6.217 -35.325 -24.798 1.00 1.00 O ATOM 1445 CB CYS A 97 8.356 -33.491 -24.594 1.00 1.00 C ATOM 1446 SG CYS A 97 9.426 -34.846 -25.123 1.00 1.00 S ATOM 0 H CYS A 97 5.724 -32.556 -24.229 1.00 1.00 H new ATOM 0 HA CYS A 97 7.568 -32.952 -26.504 1.00 1.00 H new ATOM 0 HB2 CYS A 97 8.946 -32.577 -24.525 1.00 1.00 H new ATOM 0 HB3 CYS A 97 7.980 -33.704 -23.593 1.00 1.00 H new ATOM 0 HG CYS A 97 10.471 -34.901 -24.351 1.00 1.00 H new ATOM 1451 N PRO A 98 5.723 -34.755 -26.914 1.00 1.00 N ATOM 1452 CA PRO A 98 4.891 -35.937 -27.167 1.00 1.00 C ATOM 1453 C PRO A 98 5.683 -37.257 -27.187 1.00 1.00 C ATOM 1454 O PRO A 98 5.097 -38.326 -27.003 1.00 1.00 O ATOM 1455 CB PRO A 98 4.183 -35.656 -28.497 1.00 1.00 C ATOM 1456 CG PRO A 98 5.139 -34.711 -29.223 1.00 1.00 C ATOM 1457 CD PRO A 98 5.762 -33.896 -28.091 1.00 1.00 C ATOM 0 HA PRO A 98 4.180 -36.088 -26.354 1.00 1.00 H new ATOM 0 HB2 PRO A 98 4.018 -36.572 -29.064 1.00 1.00 H new ATOM 0 HB3 PRO A 98 3.207 -35.197 -28.342 1.00 1.00 H new ATOM 0 HG2 PRO A 98 5.895 -35.259 -29.786 1.00 1.00 H new ATOM 0 HG3 PRO A 98 4.612 -34.074 -29.933 1.00 1.00 H new ATOM 0 HD2 PRO A 98 6.786 -33.610 -28.333 1.00 1.00 H new ATOM 0 HD3 PRO A 98 5.206 -32.974 -27.921 1.00 1.00 H new ATOM 1465 N VAL A 99 7.014 -37.207 -27.355 1.00 1.00 N ATOM 1466 CA VAL A 99 7.904 -38.388 -27.305 1.00 1.00 C ATOM 1467 C VAL A 99 7.902 -39.010 -25.900 1.00 1.00 C ATOM 1468 O VAL A 99 7.938 -40.232 -25.762 1.00 1.00 O ATOM 1469 CB VAL A 99 9.352 -38.027 -27.702 1.00 1.00 C ATOM 1470 CG1 VAL A 99 10.218 -39.286 -27.857 1.00 1.00 C ATOM 1471 CG2 VAL A 99 9.417 -37.263 -29.032 1.00 1.00 C ATOM 0 H VAL A 99 7.513 -36.335 -27.532 1.00 1.00 H new ATOM 0 HA VAL A 99 7.518 -39.111 -28.024 1.00 1.00 H new ATOM 0 HB VAL A 99 9.728 -37.396 -26.896 1.00 1.00 H new ATOM 0 HG11 VAL A 99 11.231 -38.998 -28.137 1.00 1.00 H new ATOM 0 HG12 VAL A 99 10.243 -39.829 -26.912 1.00 1.00 H new ATOM 0 HG13 VAL A 99 9.795 -39.925 -28.632 1.00 1.00 H new ATOM 0 HG21 VAL A 99 10.456 -37.032 -29.268 1.00 1.00 H new ATOM 0 HG22 VAL A 99 8.992 -37.878 -29.826 1.00 1.00 H new ATOM 0 HG23 VAL A 99 8.849 -36.336 -28.948 1.00 1.00 H new ATOM 1481 N CYS A 100 7.811 -38.173 -24.865 1.00 1.00 N ATOM 1482 CA CYS A 100 7.788 -38.564 -23.451 1.00 1.00 C ATOM 1483 C CYS A 100 6.418 -38.344 -22.769 1.00 1.00 C ATOM 1484 O CYS A 100 6.212 -38.734 -21.619 1.00 1.00 O ATOM 1485 CB CYS A 100 8.864 -37.735 -22.750 1.00 1.00 C ATOM 1486 SG CYS A 100 10.553 -37.976 -23.380 1.00 1.00 S ATOM 0 H CYS A 100 7.749 -37.163 -24.992 1.00 1.00 H new ATOM 0 HA CYS A 100 7.976 -39.635 -23.379 1.00 1.00 H new ATOM 0 HB2 CYS A 100 8.605 -36.680 -22.841 1.00 1.00 H new ATOM 0 HB3 CYS A 100 8.851 -37.975 -21.687 1.00 1.00 H new ATOM 0 HG CYS A 100 11.252 -36.900 -23.171 1.00 1.00 H new ATOM 1491 N ASN A 101 5.502 -37.690 -23.484 1.00 1.00 N ATOM 1492 CA ASN A 101 4.156 -37.262 -23.091 1.00 1.00 C ATOM 1493 C ASN A 101 4.164 -36.387 -21.818 1.00 1.00 C ATOM 1494 O ASN A 101 3.562 -36.728 -20.798 1.00 1.00 O ATOM 1495 CB ASN A 101 3.190 -38.462 -23.071 1.00 1.00 C ATOM 1496 CG ASN A 101 1.734 -38.039 -22.914 1.00 1.00 C ATOM 1497 OD1 ASN A 101 1.304 -36.983 -23.364 1.00 1.00 O ATOM 1498 ND2 ASN A 101 0.920 -38.850 -22.277 1.00 1.00 N ATOM 0 H ASN A 101 5.702 -37.420 -24.447 1.00 1.00 H new ATOM 0 HA ASN A 101 3.760 -36.588 -23.851 1.00 1.00 H new ATOM 0 HB2 ASN A 101 3.302 -39.030 -23.995 1.00 1.00 H new ATOM 0 HB3 ASN A 101 3.461 -39.129 -22.252 1.00 1.00 H new ATOM 0 HD21 ASN A 101 -0.062 -38.599 -22.160 1.00 1.00 H new ATOM 0 HD22 ASN A 101 1.270 -39.731 -21.899 1.00 1.00 H new ATOM 1505 N MET A 102 4.875 -35.257 -21.902 1.00 1.00 N ATOM 1506 CA MET A 102 5.037 -34.265 -20.824 1.00 1.00 C ATOM 1507 C MET A 102 4.846 -32.820 -21.325 1.00 1.00 C ATOM 1508 O MET A 102 4.864 -32.564 -22.533 1.00 1.00 O ATOM 1509 CB MET A 102 6.412 -34.422 -20.154 1.00 1.00 C ATOM 1510 CG MET A 102 6.571 -35.780 -19.458 1.00 1.00 C ATOM 1511 SD MET A 102 7.925 -35.876 -18.254 1.00 1.00 S ATOM 1512 CE MET A 102 9.355 -35.559 -19.322 1.00 1.00 C ATOM 0 H MET A 102 5.373 -34.995 -22.753 1.00 1.00 H new ATOM 0 HA MET A 102 4.255 -34.457 -20.089 1.00 1.00 H new ATOM 0 HB2 MET A 102 7.194 -34.307 -20.904 1.00 1.00 H new ATOM 0 HB3 MET A 102 6.551 -33.624 -19.424 1.00 1.00 H new ATOM 0 HG2 MET A 102 5.637 -36.022 -18.951 1.00 1.00 H new ATOM 0 HG3 MET A 102 6.728 -36.544 -20.219 1.00 1.00 H new ATOM 0 HE1 MET A 102 10.267 -35.585 -18.726 1.00 1.00 H new ATOM 0 HE2 MET A 102 9.406 -36.323 -20.098 1.00 1.00 H new ATOM 0 HE3 MET A 102 9.253 -34.578 -19.785 1.00 1.00 H new ATOM 1522 N THR A 103 4.699 -31.871 -20.396 1.00 1.00 N ATOM 1523 CA THR A 103 4.519 -30.425 -20.645 1.00 1.00 C ATOM 1524 C THR A 103 5.510 -29.577 -19.841 1.00 1.00 C ATOM 1525 O THR A 103 6.067 -30.035 -18.839 1.00 1.00 O ATOM 1526 CB THR A 103 3.080 -29.962 -20.347 1.00 1.00 C ATOM 1527 OG1 THR A 103 2.653 -30.431 -19.085 1.00 1.00 O ATOM 1528 CG2 THR A 103 2.098 -30.441 -21.414 1.00 1.00 C ATOM 0 H THR A 103 4.701 -32.093 -19.401 1.00 1.00 H new ATOM 0 HA THR A 103 4.717 -30.276 -21.706 1.00 1.00 H new ATOM 0 HB THR A 103 3.093 -28.872 -20.349 1.00 1.00 H new ATOM 0 HG1 THR A 103 1.738 -30.125 -18.915 1.00 1.00 H new ATOM 0 HG21 THR A 103 1.095 -30.094 -21.167 1.00 1.00 H new ATOM 0 HG22 THR A 103 2.392 -30.041 -22.385 1.00 1.00 H new ATOM 0 HG23 THR A 103 2.106 -31.530 -21.453 1.00 1.00 H new ATOM 1536 N PHE A 104 5.747 -28.340 -20.292 1.00 1.00 N ATOM 1537 CA PHE A 104 6.710 -27.401 -19.698 1.00 1.00 C ATOM 1538 C PHE A 104 6.115 -26.004 -19.462 1.00 1.00 C ATOM 1539 O PHE A 104 5.276 -25.528 -20.230 1.00 1.00 O ATOM 1540 CB PHE A 104 7.956 -27.299 -20.595 1.00 1.00 C ATOM 1541 CG PHE A 104 8.478 -28.621 -21.133 1.00 1.00 C ATOM 1542 CD1 PHE A 104 9.060 -29.560 -20.262 1.00 1.00 C ATOM 1543 CD2 PHE A 104 8.363 -28.919 -22.504 1.00 1.00 C ATOM 1544 CE1 PHE A 104 9.539 -30.784 -20.761 1.00 1.00 C ATOM 1545 CE2 PHE A 104 8.857 -30.135 -23.006 1.00 1.00 C ATOM 1546 CZ PHE A 104 9.441 -31.070 -22.133 1.00 1.00 C ATOM 0 H PHE A 104 5.262 -27.953 -21.102 1.00 1.00 H new ATOM 0 HA PHE A 104 6.983 -27.796 -18.720 1.00 1.00 H new ATOM 0 HB2 PHE A 104 7.724 -26.648 -21.438 1.00 1.00 H new ATOM 0 HB3 PHE A 104 8.752 -26.816 -20.029 1.00 1.00 H new ATOM 0 HD1 PHE A 104 9.139 -29.340 -19.208 1.00 1.00 H new ATOM 0 HD2 PHE A 104 7.894 -28.211 -23.172 1.00 1.00 H new ATOM 0 HE1 PHE A 104 9.982 -31.504 -20.090 1.00 1.00 H new ATOM 0 HE2 PHE A 104 8.788 -30.351 -24.062 1.00 1.00 H new ATOM 0 HZ PHE A 104 9.814 -32.008 -22.517 1.00 1.00 H new ATOM 1556 N SER A 105 6.572 -25.335 -18.400 1.00 1.00 N ATOM 1557 CA SER A 105 6.156 -23.977 -18.009 1.00 1.00 C ATOM 1558 C SER A 105 6.921 -22.849 -18.726 1.00 1.00 C ATOM 1559 O SER A 105 6.531 -21.683 -18.630 1.00 1.00 O ATOM 1560 CB SER A 105 6.342 -23.822 -16.494 1.00 1.00 C ATOM 1561 OG SER A 105 7.686 -24.110 -16.127 1.00 1.00 O ATOM 0 H SER A 105 7.264 -25.733 -17.765 1.00 1.00 H new ATOM 0 HA SER A 105 5.112 -23.875 -18.306 1.00 1.00 H new ATOM 0 HB2 SER A 105 6.085 -22.807 -16.192 1.00 1.00 H new ATOM 0 HB3 SER A 105 5.663 -24.493 -15.967 1.00 1.00 H new ATOM 0 HG SER A 105 7.790 -24.005 -15.158 1.00 1.00 H new ATOM 1567 N SER A 106 8.008 -23.173 -19.438 1.00 1.00 N ATOM 1568 CA SER A 106 8.875 -22.221 -20.150 1.00 1.00 C ATOM 1569 C SER A 106 9.641 -22.902 -21.298 1.00 1.00 C ATOM 1570 O SER A 106 9.987 -24.085 -21.177 1.00 1.00 O ATOM 1571 CB SER A 106 9.868 -21.634 -19.130 1.00 1.00 C ATOM 1572 OG SER A 106 11.026 -21.073 -19.734 1.00 1.00 O ATOM 0 H SER A 106 8.320 -24.139 -19.539 1.00 1.00 H new ATOM 0 HA SER A 106 8.262 -21.436 -20.594 1.00 1.00 H new ATOM 0 HB2 SER A 106 9.364 -20.866 -18.543 1.00 1.00 H new ATOM 0 HB3 SER A 106 10.172 -22.418 -18.436 1.00 1.00 H new ATOM 0 HG SER A 106 11.617 -20.716 -19.039 1.00 1.00 H new ATOM 1578 N PRO A 107 9.968 -22.181 -22.393 1.00 1.00 N ATOM 1579 CA PRO A 107 10.760 -22.725 -23.495 1.00 1.00 C ATOM 1580 C PRO A 107 12.164 -23.155 -23.045 1.00 1.00 C ATOM 1581 O PRO A 107 12.718 -24.102 -23.598 1.00 1.00 O ATOM 1582 CB PRO A 107 10.826 -21.615 -24.552 1.00 1.00 C ATOM 1583 CG PRO A 107 10.597 -20.332 -23.754 1.00 1.00 C ATOM 1584 CD PRO A 107 9.641 -20.783 -22.653 1.00 1.00 C ATOM 0 HA PRO A 107 10.299 -23.630 -23.892 1.00 1.00 H new ATOM 0 HB2 PRO A 107 11.791 -21.603 -25.059 1.00 1.00 H new ATOM 0 HB3 PRO A 107 10.064 -21.749 -25.320 1.00 1.00 H new ATOM 0 HG2 PRO A 107 11.528 -19.939 -23.345 1.00 1.00 H new ATOM 0 HG3 PRO A 107 10.162 -19.545 -24.370 1.00 1.00 H new ATOM 0 HD2 PRO A 107 9.766 -20.178 -21.755 1.00 1.00 H new ATOM 0 HD3 PRO A 107 8.603 -20.676 -22.968 1.00 1.00 H new ATOM 1592 N VAL A 108 12.740 -22.514 -22.017 1.00 1.00 N ATOM 1593 CA VAL A 108 14.063 -22.888 -21.484 1.00 1.00 C ATOM 1594 C VAL A 108 14.015 -24.288 -20.859 1.00 1.00 C ATOM 1595 O VAL A 108 14.922 -25.094 -21.071 1.00 1.00 O ATOM 1596 CB VAL A 108 14.583 -21.849 -20.468 1.00 1.00 C ATOM 1597 CG1 VAL A 108 16.038 -22.149 -20.084 1.00 1.00 C ATOM 1598 CG2 VAL A 108 14.543 -20.423 -21.037 1.00 1.00 C ATOM 0 H VAL A 108 12.307 -21.727 -21.533 1.00 1.00 H new ATOM 0 HA VAL A 108 14.764 -22.905 -22.319 1.00 1.00 H new ATOM 0 HB VAL A 108 13.929 -21.916 -19.598 1.00 1.00 H new ATOM 0 HG11 VAL A 108 16.386 -21.405 -19.367 1.00 1.00 H new ATOM 0 HG12 VAL A 108 16.099 -23.141 -19.636 1.00 1.00 H new ATOM 0 HG13 VAL A 108 16.664 -22.114 -20.976 1.00 1.00 H new ATOM 0 HG21 VAL A 108 14.917 -19.723 -20.290 1.00 1.00 H new ATOM 0 HG22 VAL A 108 15.167 -20.370 -21.929 1.00 1.00 H new ATOM 0 HG23 VAL A 108 13.517 -20.163 -21.296 1.00 1.00 H new ATOM 1608 N VAL A 109 12.927 -24.612 -20.148 1.00 1.00 N ATOM 1609 CA VAL A 109 12.696 -25.945 -19.559 1.00 1.00 C ATOM 1610 C VAL A 109 12.545 -26.987 -20.672 1.00 1.00 C ATOM 1611 O VAL A 109 13.129 -28.069 -20.586 1.00 1.00 O ATOM 1612 CB VAL A 109 11.458 -25.949 -18.637 1.00 1.00 C ATOM 1613 CG1 VAL A 109 11.238 -27.316 -17.975 1.00 1.00 C ATOM 1614 CG2 VAL A 109 11.604 -24.923 -17.503 1.00 1.00 C ATOM 0 H VAL A 109 12.172 -23.952 -19.962 1.00 1.00 H new ATOM 0 HA VAL A 109 13.560 -26.201 -18.946 1.00 1.00 H new ATOM 0 HB VAL A 109 10.612 -25.702 -19.279 1.00 1.00 H new ATOM 0 HG11 VAL A 109 10.357 -27.273 -17.335 1.00 1.00 H new ATOM 0 HG12 VAL A 109 11.091 -28.074 -18.745 1.00 1.00 H new ATOM 0 HG13 VAL A 109 12.110 -27.574 -17.374 1.00 1.00 H new ATOM 0 HG21 VAL A 109 10.716 -24.950 -16.871 1.00 1.00 H new ATOM 0 HG22 VAL A 109 12.483 -25.164 -16.905 1.00 1.00 H new ATOM 0 HG23 VAL A 109 11.717 -23.925 -17.927 1.00 1.00 H new ATOM 1624 N ALA A 110 11.812 -26.651 -21.740 1.00 1.00 N ATOM 1625 CA ALA A 110 11.636 -27.524 -22.898 1.00 1.00 C ATOM 1626 C ALA A 110 12.977 -27.852 -23.581 1.00 1.00 C ATOM 1627 O ALA A 110 13.302 -29.024 -23.770 1.00 1.00 O ATOM 1628 CB ALA A 110 10.667 -26.860 -23.877 1.00 1.00 C ATOM 0 H ALA A 110 11.323 -25.760 -21.822 1.00 1.00 H new ATOM 0 HA ALA A 110 11.221 -28.474 -22.560 1.00 1.00 H new ATOM 0 HB1 ALA A 110 10.529 -27.504 -24.745 1.00 1.00 H new ATOM 0 HB2 ALA A 110 9.707 -26.701 -23.387 1.00 1.00 H new ATOM 0 HB3 ALA A 110 11.074 -25.901 -24.198 1.00 1.00 H new ATOM 1634 N GLU A 111 13.785 -26.837 -23.914 1.00 1.00 N ATOM 1635 CA GLU A 111 15.102 -27.051 -24.531 1.00 1.00 C ATOM 1636 C GLU A 111 16.024 -27.867 -23.616 1.00 1.00 C ATOM 1637 O GLU A 111 16.686 -28.792 -24.087 1.00 1.00 O ATOM 1638 CB GLU A 111 15.771 -25.715 -24.904 1.00 1.00 C ATOM 1639 CG GLU A 111 15.045 -24.911 -25.994 1.00 1.00 C ATOM 1640 CD GLU A 111 14.957 -25.661 -27.334 1.00 1.00 C ATOM 1641 OE1 GLU A 111 14.080 -26.540 -27.491 1.00 1.00 O ATOM 1642 OE2 GLU A 111 15.733 -25.369 -28.275 1.00 1.00 O ATOM 0 H GLU A 111 13.549 -25.856 -23.766 1.00 1.00 H new ATOM 0 HA GLU A 111 14.937 -27.620 -25.446 1.00 1.00 H new ATOM 0 HB2 GLU A 111 15.845 -25.100 -24.007 1.00 1.00 H new ATOM 0 HB3 GLU A 111 16.789 -25.916 -25.238 1.00 1.00 H new ATOM 0 HG2 GLU A 111 14.039 -24.671 -25.651 1.00 1.00 H new ATOM 0 HG3 GLU A 111 15.564 -23.965 -26.147 1.00 1.00 H new ATOM 1649 N SER A 112 16.026 -27.577 -22.307 1.00 1.00 N ATOM 1650 CA SER A 112 16.811 -28.311 -21.304 1.00 1.00 C ATOM 1651 C SER A 112 16.425 -29.798 -21.263 1.00 1.00 C ATOM 1652 O SER A 112 17.300 -30.665 -21.202 1.00 1.00 O ATOM 1653 CB SER A 112 16.624 -27.662 -19.928 1.00 1.00 C ATOM 1654 OG SER A 112 17.474 -28.265 -18.967 1.00 1.00 O ATOM 0 H SER A 112 15.475 -26.816 -21.910 1.00 1.00 H new ATOM 0 HA SER A 112 17.863 -28.259 -21.585 1.00 1.00 H new ATOM 0 HB2 SER A 112 16.839 -26.595 -19.992 1.00 1.00 H new ATOM 0 HB3 SER A 112 15.585 -27.759 -19.613 1.00 1.00 H new ATOM 0 HG SER A 112 17.340 -27.835 -18.096 1.00 1.00 H new ATOM 1660 N HIS A 113 15.127 -30.116 -21.364 1.00 1.00 N ATOM 1661 CA HIS A 113 14.655 -31.500 -21.422 1.00 1.00 C ATOM 1662 C HIS A 113 15.106 -32.196 -22.720 1.00 1.00 C ATOM 1663 O HIS A 113 15.690 -33.278 -22.655 1.00 1.00 O ATOM 1664 CB HIS A 113 13.123 -31.538 -21.293 1.00 1.00 C ATOM 1665 CG HIS A 113 12.571 -32.927 -21.488 1.00 1.00 C ATOM 1666 ND1 HIS A 113 12.537 -33.932 -20.547 1.00 1.00 N ATOM 1667 CD2 HIS A 113 12.137 -33.466 -22.671 1.00 1.00 C ATOM 1668 CE1 HIS A 113 12.098 -35.049 -21.150 1.00 1.00 C ATOM 1669 NE2 HIS A 113 11.830 -34.812 -22.444 1.00 1.00 N ATOM 0 H HIS A 113 14.380 -29.422 -21.407 1.00 1.00 H new ATOM 0 HA HIS A 113 15.097 -32.044 -20.587 1.00 1.00 H new ATOM 0 HB2 HIS A 113 12.833 -31.168 -20.309 1.00 1.00 H new ATOM 0 HB3 HIS A 113 12.681 -30.866 -22.029 1.00 1.00 H new ATOM 0 HD1 HIS A 113 12.799 -33.844 -19.565 1.00 1.00 H new ATOM 0 HD2 HIS A 113 12.048 -32.944 -23.612 1.00 1.00 H new ATOM 0 HE1 HIS A 113 11.977 -36.005 -20.662 1.00 1.00 H new ATOM 1677 N TYR A 114 14.881 -31.579 -23.889 1.00 1.00 N ATOM 1678 CA TYR A 114 15.258 -32.145 -25.194 1.00 1.00 C ATOM 1679 C TYR A 114 16.758 -32.474 -25.335 1.00 1.00 C ATOM 1680 O TYR A 114 17.096 -33.467 -25.985 1.00 1.00 O ATOM 1681 CB TYR A 114 14.762 -31.246 -26.341 1.00 1.00 C ATOM 1682 CG TYR A 114 13.371 -31.592 -26.859 1.00 1.00 C ATOM 1683 CD1 TYR A 114 12.213 -31.229 -26.143 1.00 1.00 C ATOM 1684 CD2 TYR A 114 13.240 -32.291 -28.077 1.00 1.00 C ATOM 1685 CE1 TYR A 114 10.936 -31.557 -26.639 1.00 1.00 C ATOM 1686 CE2 TYR A 114 11.965 -32.628 -28.574 1.00 1.00 C ATOM 1687 CZ TYR A 114 10.807 -32.265 -27.853 1.00 1.00 C ATOM 1688 OH TYR A 114 9.573 -32.589 -28.324 1.00 1.00 O ATOM 0 H TYR A 114 14.429 -30.667 -23.957 1.00 1.00 H new ATOM 0 HA TYR A 114 14.754 -33.110 -25.258 1.00 1.00 H new ATOM 0 HB2 TYR A 114 14.762 -30.211 -26.000 1.00 1.00 H new ATOM 0 HB3 TYR A 114 15.470 -31.309 -27.167 1.00 1.00 H new ATOM 0 HD1 TYR A 114 12.305 -30.696 -25.208 1.00 1.00 H new ATOM 0 HD2 TYR A 114 14.123 -32.570 -28.633 1.00 1.00 H new ATOM 0 HE1 TYR A 114 10.053 -31.266 -26.089 1.00 1.00 H new ATOM 0 HE2 TYR A 114 11.874 -33.164 -29.507 1.00 1.00 H new ATOM 0 HH TYR A 114 9.663 -33.074 -29.171 1.00 1.00 H new ATOM 1698 N ILE A 115 17.660 -31.694 -24.721 1.00 1.00 N ATOM 1699 CA ILE A 115 19.116 -31.962 -24.755 1.00 1.00 C ATOM 1700 C ILE A 115 19.590 -32.913 -23.639 1.00 1.00 C ATOM 1701 O ILE A 115 20.752 -33.329 -23.639 1.00 1.00 O ATOM 1702 CB ILE A 115 19.951 -30.655 -24.797 1.00 1.00 C ATOM 1703 CG1 ILE A 115 19.869 -29.745 -23.548 1.00 1.00 C ATOM 1704 CG2 ILE A 115 19.560 -29.842 -26.045 1.00 1.00 C ATOM 1705 CD1 ILE A 115 20.727 -30.182 -22.355 1.00 1.00 C ATOM 0 H ILE A 115 17.408 -30.862 -24.188 1.00 1.00 H new ATOM 0 HA ILE A 115 19.295 -32.490 -25.692 1.00 1.00 H new ATOM 0 HB ILE A 115 20.988 -30.991 -24.826 1.00 1.00 H new ATOM 0 HG12 ILE A 115 20.164 -28.736 -23.835 1.00 1.00 H new ATOM 0 HG13 ILE A 115 18.829 -29.693 -23.226 1.00 1.00 H new ATOM 0 HG21 ILE A 115 20.145 -28.923 -26.078 1.00 1.00 H new ATOM 0 HG22 ILE A 115 19.759 -30.431 -26.940 1.00 1.00 H new ATOM 0 HG23 ILE A 115 18.499 -29.596 -26.001 1.00 1.00 H new ATOM 0 HD11 ILE A 115 20.596 -29.476 -21.535 1.00 1.00 H new ATOM 0 HD12 ILE A 115 20.420 -31.176 -22.031 1.00 1.00 H new ATOM 0 HD13 ILE A 115 21.776 -30.204 -22.650 1.00 1.00 H new ATOM 1717 N GLY A 116 18.717 -33.273 -22.690 1.00 1.00 N ATOM 1718 CA GLY A 116 19.035 -34.151 -21.561 1.00 1.00 C ATOM 1719 C GLY A 116 18.990 -35.645 -21.901 1.00 1.00 C ATOM 1720 O GLY A 116 18.276 -36.081 -22.810 1.00 1.00 O ATOM 0 H GLY A 116 17.748 -32.954 -22.687 1.00 1.00 H new ATOM 0 HA2 GLY A 116 20.030 -33.903 -21.190 1.00 1.00 H new ATOM 0 HA3 GLY A 116 18.334 -33.952 -20.751 1.00 1.00 H new ATOM 1724 N LYS A 117 19.742 -36.454 -21.142 1.00 1.00 N ATOM 1725 CA LYS A 117 19.823 -37.917 -21.329 1.00 1.00 C ATOM 1726 C LYS A 117 18.471 -38.622 -21.184 1.00 1.00 C ATOM 1727 O LYS A 117 18.225 -39.599 -21.885 1.00 1.00 O ATOM 1728 CB LYS A 117 20.865 -38.530 -20.372 1.00 1.00 C ATOM 1729 CG LYS A 117 22.295 -37.978 -20.521 1.00 1.00 C ATOM 1730 CD LYS A 117 22.869 -38.137 -21.940 1.00 1.00 C ATOM 1731 CE LYS A 117 24.366 -37.804 -22.015 1.00 1.00 C ATOM 1732 NZ LYS A 117 24.646 -36.361 -21.786 1.00 1.00 N ATOM 0 H LYS A 117 20.318 -36.112 -20.373 1.00 1.00 H new ATOM 0 HA LYS A 117 20.143 -38.079 -22.358 1.00 1.00 H new ATOM 0 HB2 LYS A 117 20.534 -38.366 -19.346 1.00 1.00 H new ATOM 0 HB3 LYS A 117 20.890 -39.608 -20.530 1.00 1.00 H new ATOM 0 HG2 LYS A 117 22.298 -36.922 -20.253 1.00 1.00 H new ATOM 0 HG3 LYS A 117 22.949 -38.489 -19.814 1.00 1.00 H new ATOM 0 HD2 LYS A 117 22.712 -39.161 -22.278 1.00 1.00 H new ATOM 0 HD3 LYS A 117 22.322 -37.488 -22.624 1.00 1.00 H new ATOM 0 HE2 LYS A 117 24.903 -38.396 -21.274 1.00 1.00 H new ATOM 0 HE3 LYS A 117 24.750 -38.093 -22.993 1.00 1.00 H new ATOM 0 HZ1 LYS A 117 25.670 -36.192 -21.848 1.00 1.00 H new ATOM 0 HZ2 LYS A 117 24.157 -35.794 -22.508 1.00 1.00 H new ATOM 0 HZ3 LYS A 117 24.306 -36.087 -20.842 1.00 1.00 H new ATOM 1746 N THR A 118 17.579 -38.122 -20.327 1.00 1.00 N ATOM 1747 CA THR A 118 16.222 -38.672 -20.125 1.00 1.00 C ATOM 1748 C THR A 118 15.425 -38.703 -21.434 1.00 1.00 C ATOM 1749 O THR A 118 14.774 -39.703 -21.743 1.00 1.00 O ATOM 1750 CB THR A 118 15.456 -37.855 -19.067 1.00 1.00 C ATOM 1751 OG1 THR A 118 16.254 -37.717 -17.909 1.00 1.00 O ATOM 1752 CG2 THR A 118 14.144 -38.518 -18.643 1.00 1.00 C ATOM 0 H THR A 118 17.775 -37.311 -19.741 1.00 1.00 H new ATOM 0 HA THR A 118 16.337 -39.697 -19.772 1.00 1.00 H new ATOM 0 HB THR A 118 15.229 -36.891 -19.523 1.00 1.00 H new ATOM 0 HG1 THR A 118 15.767 -37.196 -17.237 1.00 1.00 H new ATOM 0 HG21 THR A 118 13.648 -37.898 -17.896 1.00 1.00 H new ATOM 0 HG22 THR A 118 13.495 -38.629 -19.512 1.00 1.00 H new ATOM 0 HG23 THR A 118 14.353 -39.500 -18.218 1.00 1.00 H new ATOM 1760 N HIS A 119 15.513 -37.642 -22.243 1.00 1.00 N ATOM 1761 CA HIS A 119 14.858 -37.577 -23.554 1.00 1.00 C ATOM 1762 C HIS A 119 15.495 -38.563 -24.540 1.00 1.00 C ATOM 1763 O HIS A 119 14.783 -39.290 -25.230 1.00 1.00 O ATOM 1764 CB HIS A 119 14.928 -36.144 -24.087 1.00 1.00 C ATOM 1765 CG HIS A 119 14.159 -35.971 -25.369 1.00 1.00 C ATOM 1766 ND1 HIS A 119 12.769 -35.896 -25.462 1.00 1.00 N ATOM 1767 CD2 HIS A 119 14.699 -35.860 -26.618 1.00 1.00 C ATOM 1768 CE1 HIS A 119 12.502 -35.725 -26.768 1.00 1.00 C ATOM 1769 NE2 HIS A 119 13.640 -35.708 -27.485 1.00 1.00 N ATOM 0 H HIS A 119 16.042 -36.802 -22.007 1.00 1.00 H new ATOM 0 HA HIS A 119 13.812 -37.864 -23.441 1.00 1.00 H new ATOM 0 HB2 HIS A 119 14.534 -35.460 -23.335 1.00 1.00 H new ATOM 0 HB3 HIS A 119 15.970 -35.871 -24.252 1.00 1.00 H new ATOM 0 HD2 HIS A 119 15.748 -35.886 -26.875 1.00 1.00 H new ATOM 0 HE1 HIS A 119 11.511 -35.616 -27.184 1.00 1.00 H new ATOM 0 HE2 HIS A 119 13.707 -35.601 -28.497 1.00 1.00 H new ATOM 1777 N ILE A 120 16.831 -38.639 -24.569 1.00 1.00 N ATOM 1778 CA ILE A 120 17.595 -39.563 -25.428 1.00 1.00 C ATOM 1779 C ILE A 120 17.236 -41.029 -25.120 1.00 1.00 C ATOM 1780 O ILE A 120 16.998 -41.811 -26.041 1.00 1.00 O ATOM 1781 CB ILE A 120 19.110 -39.264 -25.345 1.00 1.00 C ATOM 1782 CG1 ILE A 120 19.357 -37.828 -25.874 1.00 1.00 C ATOM 1783 CG2 ILE A 120 19.928 -40.290 -26.150 1.00 1.00 C ATOM 1784 CD1 ILE A 120 20.815 -37.356 -25.808 1.00 1.00 C ATOM 0 H ILE A 120 17.426 -38.050 -23.986 1.00 1.00 H new ATOM 0 HA ILE A 120 17.311 -39.399 -26.467 1.00 1.00 H new ATOM 0 HB ILE A 120 19.437 -39.339 -24.308 1.00 1.00 H new ATOM 0 HG12 ILE A 120 19.020 -37.775 -26.909 1.00 1.00 H new ATOM 0 HG13 ILE A 120 18.740 -37.135 -25.302 1.00 1.00 H new ATOM 0 HG21 ILE A 120 20.989 -40.052 -26.071 1.00 1.00 H new ATOM 0 HG22 ILE A 120 19.750 -41.289 -25.753 1.00 1.00 H new ATOM 0 HG23 ILE A 120 19.625 -40.256 -27.197 1.00 1.00 H new ATOM 0 HD11 ILE A 120 20.887 -36.341 -26.200 1.00 1.00 H new ATOM 0 HD12 ILE A 120 21.156 -37.370 -24.773 1.00 1.00 H new ATOM 0 HD13 ILE A 120 21.440 -38.020 -26.405 1.00 1.00 H new ATOM 1796 N LYS A 121 17.115 -41.399 -23.837 1.00 1.00 N ATOM 1797 CA LYS A 121 16.670 -42.740 -23.409 1.00 1.00 C ATOM 1798 C LYS A 121 15.246 -43.036 -23.896 1.00 1.00 C ATOM 1799 O LYS A 121 14.961 -44.150 -24.336 1.00 1.00 O ATOM 1800 CB LYS A 121 16.768 -42.865 -21.879 1.00 1.00 C ATOM 1801 CG LYS A 121 18.227 -42.981 -21.408 1.00 1.00 C ATOM 1802 CD LYS A 121 18.315 -43.006 -19.881 1.00 1.00 C ATOM 1803 CE LYS A 121 19.776 -43.144 -19.436 1.00 1.00 C ATOM 1804 NZ LYS A 121 19.895 -43.203 -17.955 1.00 1.00 N ATOM 0 H LYS A 121 17.324 -40.774 -23.059 1.00 1.00 H new ATOM 0 HA LYS A 121 17.329 -43.481 -23.862 1.00 1.00 H new ATOM 0 HB2 LYS A 121 16.304 -41.996 -21.413 1.00 1.00 H new ATOM 0 HB3 LYS A 121 16.209 -43.741 -21.549 1.00 1.00 H new ATOM 0 HG2 LYS A 121 18.672 -43.889 -21.815 1.00 1.00 H new ATOM 0 HG3 LYS A 121 18.805 -42.141 -21.794 1.00 1.00 H new ATOM 0 HD2 LYS A 121 17.887 -42.092 -19.470 1.00 1.00 H new ATOM 0 HD3 LYS A 121 17.728 -43.837 -19.489 1.00 1.00 H new ATOM 0 HE2 LYS A 121 20.206 -44.046 -19.872 1.00 1.00 H new ATOM 0 HE3 LYS A 121 20.353 -42.300 -19.814 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 20.897 -43.296 -17.691 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 19.507 -42.332 -17.541 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 19.365 -44.023 -17.596 1.00 1.00 H new ATOM 1818 N ASN A 122 14.361 -42.034 -23.881 1.00 1.00 N ATOM 1819 CA ASN A 122 12.995 -42.168 -24.397 1.00 1.00 C ATOM 1820 C ASN A 122 12.955 -42.388 -25.923 1.00 1.00 C ATOM 1821 O ASN A 122 12.045 -43.073 -26.388 1.00 1.00 O ATOM 1822 CB ASN A 122 12.125 -40.983 -23.950 1.00 1.00 C ATOM 1823 CG ASN A 122 11.506 -41.226 -22.584 1.00 1.00 C ATOM 1824 OD1 ASN A 122 10.408 -41.748 -22.461 1.00 1.00 O ATOM 1825 ND2 ASN A 122 12.187 -40.883 -21.515 1.00 1.00 N ATOM 0 H ASN A 122 14.572 -41.107 -23.511 1.00 1.00 H new ATOM 0 HA ASN A 122 12.569 -43.072 -23.962 1.00 1.00 H new ATOM 0 HB2 ASN A 122 12.731 -40.077 -23.919 1.00 1.00 H new ATOM 0 HB3 ASN A 122 11.336 -40.814 -24.683 1.00 1.00 H new ATOM 0 HD21 ASN A 122 11.799 -41.053 -20.587 1.00 1.00 H new ATOM 0 HD22 ASN A 122 13.104 -40.447 -21.613 1.00 1.00 H new