USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=27 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 -133:sc= 0.277 USER MOD Set 1.2: A 100 CYS SG : rot 151:sc= 0.132 USER MOD Set 1.3: A 113 HIS : no HE2:sc= -0.0347 X(o=1.3,f=0.96) USER MOD Set 1.4: A 119 HIS : no HD1:sc= 0 X(o=1.3,f=1.1) USER MOD Set 1.5: A 122 ASN : amide:sc= 0.893 K(o=1.3,f=0.22) USER MOD Set 2.1: A 36 CYS SG : rot 57:sc= 0.306 USER MOD Set 2.2: A 39 CYS SG : rot 133:sc= 0.117 USER MOD Set 2.3: A 52 HIS : no HE2:sc= -0.57 K(o=-0.33,f=-1.1) USER MOD Set 2.4: A 58 HIS : no HD1:sc= -0.18 X(o=-0.33,f=-0.61) USER MOD Set 3.1: A 47 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 48 GLN : amide:sc= -0.0449 X(o=-0.045,f=-0.37) USER MOD Set 4.1: A 32 SER OG : rot 180:sc= 0.147 USER MOD Set 4.2: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 27 ASN : amide:sc= 0.724 K(o=1,f=0.15) USER MOD Set 5.2: A 29 HIS : no HD1:sc= 0.278 K(o=1,f=-1.8!) USER MOD Set 6.1: A 21 ASN : amide:sc= 0.861 K(o=4.3,f=-4.1) USER MOD Set 6.2: A 49 LYS NZ :NH3+ -158:sc= 3.43 (180deg=1.8) USER MOD Single : A 17 LYS NZ :NH3+ -131:sc= 1.24 (180deg=0.369) USER MOD Single : A 22 SER OG : rot 180:sc= 0.56 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 37 LYS NZ :NH3+ 175:sc= 0.907 (180deg=0.892) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 24:sc= 0.427 USER MOD Single : A 53 TYR OH : rot -157:sc= 0.858 USER MOD Single : A 54 GLN : amide:sc= 0.872 K(o=0.87,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 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=-0.32) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 34:sc= 0.0935 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=-0.7) USER MOD Single : A 102 MET CE :methyl -157:sc= -0.0586 (180deg=-0.104) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0.00317 USER MOD Single : A 106 SER OG : rot 180:sc= 0.00249 USER MOD Single : A 112 SER OG : rot 85:sc= 1.16 USER MOD Single : A 114 TYR OH : rot 177:sc= 0.643 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 -17.743 8.167 14.793 1.00 1.00 N ATOM 189 CA GLY A 16 -17.658 7.758 16.200 1.00 1.00 C ATOM 190 C GLY A 16 -16.761 6.530 16.397 1.00 1.00 C ATOM 191 O GLY A 16 -16.420 5.842 15.430 1.00 1.00 O ATOM 0 HA2 GLY A 16 -17.272 8.586 16.794 1.00 1.00 H new ATOM 0 HA3 GLY A 16 -18.658 7.538 16.573 1.00 1.00 H new ATOM 195 N LYS A 17 -16.372 6.242 17.650 1.00 1.00 N ATOM 196 CA LYS A 17 -15.484 5.113 17.992 1.00 1.00 C ATOM 197 C LYS A 17 -15.994 3.752 17.507 1.00 1.00 C ATOM 198 O LYS A 17 -15.193 2.936 17.060 1.00 1.00 O ATOM 199 CB LYS A 17 -15.163 5.116 19.499 1.00 1.00 C ATOM 200 CG LYS A 17 -14.185 3.981 19.861 1.00 1.00 C ATOM 201 CD LYS A 17 -13.339 4.252 21.109 1.00 1.00 C ATOM 202 CE LYS A 17 -14.145 4.316 22.411 1.00 1.00 C ATOM 203 NZ LYS A 17 -13.280 4.760 23.535 1.00 1.00 N ATOM 0 H LYS A 17 -16.665 6.788 18.460 1.00 1.00 H new ATOM 0 HA LYS A 17 -14.556 5.269 17.442 1.00 1.00 H new ATOM 0 HB2 LYS A 17 -14.730 6.076 19.780 1.00 1.00 H new ATOM 0 HB3 LYS A 17 -16.084 5.002 20.070 1.00 1.00 H new ATOM 0 HG2 LYS A 17 -14.753 3.063 20.013 1.00 1.00 H new ATOM 0 HG3 LYS A 17 -13.519 3.807 19.016 1.00 1.00 H new ATOM 0 HD2 LYS A 17 -12.584 3.471 21.200 1.00 1.00 H new ATOM 0 HD3 LYS A 17 -12.808 5.194 20.977 1.00 1.00 H new ATOM 0 HE2 LYS A 17 -14.982 5.004 22.294 1.00 1.00 H new ATOM 0 HE3 LYS A 17 -14.567 3.336 22.634 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 -13.403 4.116 24.343 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 -12.285 4.750 23.232 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 -13.546 5.725 23.818 1.00 1.00 H new ATOM 217 N ASP A 18 -17.304 3.508 17.544 1.00 1.00 N ATOM 218 CA ASP A 18 -17.905 2.253 17.066 1.00 1.00 C ATOM 219 C ASP A 18 -17.594 1.998 15.579 1.00 1.00 C ATOM 220 O ASP A 18 -17.190 0.892 15.205 1.00 1.00 O ATOM 221 CB ASP A 18 -19.422 2.277 17.298 1.00 1.00 C ATOM 222 CG ASP A 18 -19.777 2.286 18.793 1.00 1.00 C ATOM 223 OD1 ASP A 18 -19.805 1.197 19.416 1.00 1.00 O ATOM 224 OD2 ASP A 18 -20.032 3.383 19.349 1.00 1.00 O ATOM 0 H ASP A 18 -17.985 4.175 17.907 1.00 1.00 H new ATOM 0 HA ASP A 18 -17.465 1.434 17.636 1.00 1.00 H new ATOM 0 HB2 ASP A 18 -19.848 3.159 16.819 1.00 1.00 H new ATOM 0 HB3 ASP A 18 -19.875 1.407 16.823 1.00 1.00 H new ATOM 229 N ALA A 19 -17.721 3.030 14.736 1.00 1.00 N ATOM 230 CA ALA A 19 -17.390 2.944 13.314 1.00 1.00 C ATOM 231 C ALA A 19 -15.876 2.818 13.093 1.00 1.00 C ATOM 232 O ALA A 19 -15.458 2.021 12.257 1.00 1.00 O ATOM 233 CB ALA A 19 -17.951 4.163 12.575 1.00 1.00 C ATOM 0 H ALA A 19 -18.057 3.949 15.024 1.00 1.00 H new ATOM 0 HA ALA A 19 -17.850 2.042 12.910 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -17.701 4.093 11.516 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -19.034 4.192 12.691 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -17.517 5.072 12.991 1.00 1.00 H new ATOM 239 N VAL A 20 -15.045 3.557 13.845 1.00 1.00 N ATOM 240 CA VAL A 20 -13.575 3.462 13.733 1.00 1.00 C ATOM 241 C VAL A 20 -13.091 2.054 14.104 1.00 1.00 C ATOM 242 O VAL A 20 -12.316 1.455 13.360 1.00 1.00 O ATOM 243 CB VAL A 20 -12.871 4.533 14.592 1.00 1.00 C ATOM 244 CG1 VAL A 20 -11.350 4.339 14.594 1.00 1.00 C ATOM 245 CG2 VAL A 20 -13.159 5.943 14.057 1.00 1.00 C ATOM 0 H VAL A 20 -15.365 4.231 14.541 1.00 1.00 H new ATOM 0 HA VAL A 20 -13.309 3.651 12.693 1.00 1.00 H new ATOM 0 HB VAL A 20 -13.261 4.424 15.604 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -10.886 5.110 15.208 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -11.109 3.357 15.001 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -10.973 4.412 13.574 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -12.651 6.679 14.680 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -12.798 6.024 13.032 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -14.233 6.128 14.079 1.00 1.00 H new ATOM 255 N ASN A 21 -13.583 1.488 15.210 1.00 1.00 N ATOM 256 CA ASN A 21 -13.241 0.131 15.641 1.00 1.00 C ATOM 257 C ASN A 21 -13.669 -0.907 14.589 1.00 1.00 C ATOM 258 O ASN A 21 -12.879 -1.787 14.248 1.00 1.00 O ATOM 259 CB ASN A 21 -13.874 -0.156 17.016 1.00 1.00 C ATOM 260 CG ASN A 21 -13.193 0.547 18.184 1.00 1.00 C ATOM 261 OD1 ASN A 21 -12.158 1.194 18.075 1.00 1.00 O ATOM 262 ND2 ASN A 21 -13.743 0.412 19.370 1.00 1.00 N ATOM 0 H ASN A 21 -14.234 1.963 15.835 1.00 1.00 H new ATOM 0 HA ASN A 21 -12.158 0.054 15.741 1.00 1.00 H new ATOM 0 HB2 ASN A 21 -14.922 0.143 16.989 1.00 1.00 H new ATOM 0 HB3 ASN A 21 -13.854 -1.231 17.194 1.00 1.00 H new ATOM 0 HD21 ASN A 21 -13.308 0.843 20.186 1.00 1.00 H new ATOM 0 HD22 ASN A 21 -14.605 -0.124 19.475 1.00 1.00 H new ATOM 269 N SER A 22 -14.882 -0.793 14.030 1.00 1.00 N ATOM 270 CA SER A 22 -15.342 -1.696 12.963 1.00 1.00 C ATOM 271 C SER A 22 -14.536 -1.532 11.671 1.00 1.00 C ATOM 272 O SER A 22 -14.200 -2.532 11.042 1.00 1.00 O ATOM 273 CB SER A 22 -16.834 -1.521 12.682 1.00 1.00 C ATOM 274 OG SER A 22 -17.572 -2.190 13.693 1.00 1.00 O ATOM 0 H SER A 22 -15.564 -0.084 14.299 1.00 1.00 H new ATOM 0 HA SER A 22 -15.175 -2.709 13.330 1.00 1.00 H new ATOM 0 HB2 SER A 22 -17.093 -0.462 12.664 1.00 1.00 H new ATOM 0 HB3 SER A 22 -17.083 -1.927 11.702 1.00 1.00 H new ATOM 0 HG SER A 22 -18.531 -2.083 13.523 1.00 1.00 H new ATOM 280 N LEU A 23 -14.167 -0.306 11.282 1.00 1.00 N ATOM 281 CA LEU A 23 -13.337 -0.046 10.100 1.00 1.00 C ATOM 282 C LEU A 23 -11.968 -0.730 10.234 1.00 1.00 C ATOM 283 O LEU A 23 -11.509 -1.367 9.285 1.00 1.00 O ATOM 284 CB LEU A 23 -13.216 1.479 9.907 1.00 1.00 C ATOM 285 CG LEU A 23 -12.454 1.907 8.641 1.00 1.00 C ATOM 286 CD1 LEU A 23 -13.203 1.516 7.366 1.00 1.00 C ATOM 287 CD2 LEU A 23 -12.293 3.425 8.631 1.00 1.00 C ATOM 0 H LEU A 23 -14.438 0.540 11.783 1.00 1.00 H new ATOM 0 HA LEU A 23 -13.805 -0.470 9.212 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -14.217 1.908 9.875 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -12.715 1.903 10.777 1.00 1.00 H new ATOM 0 HG LEU A 23 -11.489 1.401 8.660 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -12.631 1.836 6.495 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -13.332 0.434 7.337 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -14.180 1.999 7.356 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -11.753 3.728 7.734 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -13.276 3.895 8.639 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -11.734 3.737 9.513 1.00 1.00 H new ATOM 299 N ILE A 24 -11.354 -0.648 11.421 1.00 1.00 N ATOM 300 CA ILE A 24 -10.092 -1.323 11.750 1.00 1.00 C ATOM 301 C ILE A 24 -10.280 -2.850 11.696 1.00 1.00 C ATOM 302 O ILE A 24 -9.507 -3.544 11.037 1.00 1.00 O ATOM 303 CB ILE A 24 -9.592 -0.860 13.143 1.00 1.00 C ATOM 304 CG1 ILE A 24 -9.126 0.615 13.113 1.00 1.00 C ATOM 305 CG2 ILE A 24 -8.449 -1.761 13.643 1.00 1.00 C ATOM 306 CD1 ILE A 24 -9.025 1.237 14.514 1.00 1.00 C ATOM 0 H ILE A 24 -11.728 -0.099 12.195 1.00 1.00 H new ATOM 0 HA ILE A 24 -9.334 -1.054 11.015 1.00 1.00 H new ATOM 0 HB ILE A 24 -10.432 -0.941 13.833 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -8.154 0.674 12.624 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -9.822 1.199 12.511 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -8.115 -1.416 14.622 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -8.804 -2.789 13.722 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -7.617 -1.717 12.940 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -8.694 2.272 14.430 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -10.002 1.207 14.997 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -8.308 0.674 15.111 1.00 1.00 H new ATOM 318 N ARG A 25 -11.317 -3.376 12.363 1.00 1.00 N ATOM 319 CA ARG A 25 -11.660 -4.810 12.434 1.00 1.00 C ATOM 320 C ARG A 25 -11.878 -5.447 11.053 1.00 1.00 C ATOM 321 O ARG A 25 -11.367 -6.533 10.788 1.00 1.00 O ATOM 322 CB ARG A 25 -12.899 -4.938 13.338 1.00 1.00 C ATOM 323 CG ARG A 25 -13.382 -6.366 13.588 1.00 1.00 C ATOM 324 CD ARG A 25 -14.629 -6.413 14.496 1.00 1.00 C ATOM 325 NE ARG A 25 -15.756 -5.590 13.996 1.00 1.00 N ATOM 326 CZ ARG A 25 -16.454 -5.771 12.888 1.00 1.00 C ATOM 327 NH1 ARG A 25 -16.293 -6.814 12.130 1.00 1.00 N ATOM 328 NH2 ARG A 25 -17.331 -4.891 12.503 1.00 1.00 N ATOM 0 H ARG A 25 -11.968 -2.794 12.890 1.00 1.00 H new ATOM 0 HA ARG A 25 -10.822 -5.365 12.856 1.00 1.00 H new ATOM 0 HB2 ARG A 25 -12.676 -4.474 14.299 1.00 1.00 H new ATOM 0 HB3 ARG A 25 -13.715 -4.369 12.891 1.00 1.00 H new ATOM 0 HG2 ARG A 25 -13.612 -6.841 12.634 1.00 1.00 H new ATOM 0 HG3 ARG A 25 -12.579 -6.943 14.047 1.00 1.00 H new ATOM 0 HD2 ARG A 25 -14.960 -7.447 14.593 1.00 1.00 H new ATOM 0 HD3 ARG A 25 -14.355 -6.071 15.494 1.00 1.00 H new ATOM 0 HE ARG A 25 -16.024 -4.793 14.573 1.00 1.00 H new ATOM 0 HH11 ARG A 25 -15.609 -7.528 12.383 1.00 1.00 H new ATOM 0 HH12 ARG A 25 -16.850 -6.919 11.282 1.00 1.00 H new ATOM 0 HH21 ARG A 25 -17.487 -4.049 13.058 1.00 1.00 H new ATOM 0 HH22 ARG A 25 -17.863 -5.042 11.646 1.00 1.00 H new ATOM 342 N GLU A 26 -12.620 -4.776 10.173 1.00 1.00 N ATOM 343 CA GLU A 26 -12.918 -5.235 8.805 1.00 1.00 C ATOM 344 C GLU A 26 -11.728 -5.097 7.829 1.00 1.00 C ATOM 345 O GLU A 26 -11.751 -5.696 6.752 1.00 1.00 O ATOM 346 CB GLU A 26 -14.120 -4.442 8.252 1.00 1.00 C ATOM 347 CG GLU A 26 -15.464 -4.735 8.946 1.00 1.00 C ATOM 348 CD GLU A 26 -16.044 -6.143 8.690 1.00 1.00 C ATOM 349 OE1 GLU A 26 -15.634 -6.841 7.730 1.00 1.00 O ATOM 350 OE2 GLU A 26 -16.940 -6.557 9.466 1.00 1.00 O ATOM 0 H GLU A 26 -13.044 -3.874 10.391 1.00 1.00 H new ATOM 0 HA GLU A 26 -13.143 -6.299 8.877 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -13.906 -3.377 8.341 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -14.222 -4.659 7.189 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -15.336 -4.602 10.020 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -16.193 -3.994 8.618 1.00 1.00 H new ATOM 357 N ASN A 27 -10.694 -4.317 8.176 1.00 1.00 N ATOM 358 CA ASN A 27 -9.524 -4.040 7.325 1.00 1.00 C ATOM 359 C ASN A 27 -8.186 -4.159 8.089 1.00 1.00 C ATOM 360 O ASN A 27 -7.279 -3.335 7.927 1.00 1.00 O ATOM 361 CB ASN A 27 -9.695 -2.657 6.671 1.00 1.00 C ATOM 362 CG ASN A 27 -10.969 -2.505 5.864 1.00 1.00 C ATOM 363 OD1 ASN A 27 -11.044 -2.859 4.696 1.00 1.00 O ATOM 364 ND2 ASN A 27 -12.007 -1.966 6.464 1.00 1.00 N ATOM 0 H ASN A 27 -10.646 -3.848 9.080 1.00 1.00 H new ATOM 0 HA ASN A 27 -9.476 -4.802 6.547 1.00 1.00 H new ATOM 0 HB2 ASN A 27 -9.678 -1.895 7.450 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -8.841 -2.467 6.021 1.00 1.00 H new ATOM 0 HD21 ASN A 27 -12.882 -1.841 5.955 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -11.937 -1.673 7.439 1.00 1.00 H new ATOM 371 N SER A 28 -8.057 -5.186 8.935 1.00 1.00 N ATOM 372 CA SER A 28 -6.870 -5.457 9.769 1.00 1.00 C ATOM 373 C SER A 28 -5.538 -5.557 9.001 1.00 1.00 C ATOM 374 O SER A 28 -4.465 -5.403 9.590 1.00 1.00 O ATOM 375 CB SER A 28 -7.098 -6.725 10.598 1.00 1.00 C ATOM 376 OG SER A 28 -7.334 -7.844 9.755 1.00 1.00 O ATOM 0 H SER A 28 -8.796 -5.876 9.066 1.00 1.00 H new ATOM 0 HA SER A 28 -6.761 -4.584 10.412 1.00 1.00 H new ATOM 0 HB2 SER A 28 -6.228 -6.915 11.227 1.00 1.00 H new ATOM 0 HB3 SER A 28 -7.948 -6.581 11.265 1.00 1.00 H new ATOM 0 HG SER A 28 -7.475 -8.643 10.304 1.00 1.00 H new ATOM 382 N HIS A 29 -5.588 -5.780 7.684 1.00 1.00 N ATOM 383 CA HIS A 29 -4.434 -5.844 6.782 1.00 1.00 C ATOM 384 C HIS A 29 -3.821 -4.468 6.457 1.00 1.00 C ATOM 385 O HIS A 29 -2.654 -4.414 6.059 1.00 1.00 O ATOM 386 CB HIS A 29 -4.855 -6.570 5.491 1.00 1.00 C ATOM 387 CG HIS A 29 -5.943 -5.886 4.689 1.00 1.00 C ATOM 388 ND1 HIS A 29 -7.220 -5.552 5.156 1.00 1.00 N ATOM 389 CD2 HIS A 29 -5.852 -5.528 3.376 1.00 1.00 C ATOM 390 CE1 HIS A 29 -7.861 -4.993 4.114 1.00 1.00 C ATOM 391 NE2 HIS A 29 -7.060 -4.963 3.035 1.00 1.00 N ATOM 0 H HIS A 29 -6.472 -5.927 7.197 1.00 1.00 H new ATOM 0 HA HIS A 29 -3.648 -6.396 7.297 1.00 1.00 H new ATOM 0 HB2 HIS A 29 -3.977 -6.686 4.856 1.00 1.00 H new ATOM 0 HB3 HIS A 29 -5.194 -7.573 5.752 1.00 1.00 H new ATOM 0 HD2 HIS A 29 -4.998 -5.662 2.729 1.00 1.00 H new ATOM 0 HE1 HIS A 29 -8.875 -4.621 4.141 1.00 1.00 H new ATOM 0 HE2 HIS A 29 -7.305 -4.586 2.120 1.00 1.00 H new ATOM 399 N ILE A 30 -4.567 -3.369 6.638 1.00 1.00 N ATOM 400 CA ILE A 30 -4.133 -1.983 6.346 1.00 1.00 C ATOM 401 C ILE A 30 -4.364 -0.976 7.484 1.00 1.00 C ATOM 402 O ILE A 30 -3.739 0.087 7.480 1.00 1.00 O ATOM 403 CB ILE A 30 -4.768 -1.457 5.035 1.00 1.00 C ATOM 404 CG1 ILE A 30 -6.312 -1.542 5.065 1.00 1.00 C ATOM 405 CG2 ILE A 30 -4.161 -2.184 3.824 1.00 1.00 C ATOM 406 CD1 ILE A 30 -7.010 -0.909 3.856 1.00 1.00 C ATOM 0 H ILE A 30 -5.519 -3.414 7.002 1.00 1.00 H new ATOM 0 HA ILE A 30 -3.052 -2.058 6.231 1.00 1.00 H new ATOM 0 HB ILE A 30 -4.532 -0.397 4.939 1.00 1.00 H new ATOM 0 HG12 ILE A 30 -6.604 -2.590 5.129 1.00 1.00 H new ATOM 0 HG13 ILE A 30 -6.672 -1.055 5.972 1.00 1.00 H new ATOM 0 HG21 ILE A 30 -4.615 -1.806 2.908 1.00 1.00 H new ATOM 0 HG22 ILE A 30 -3.086 -2.008 3.796 1.00 1.00 H new ATOM 0 HG23 ILE A 30 -4.352 -3.254 3.909 1.00 1.00 H new ATOM 0 HD11 ILE A 30 -8.090 -1.015 3.962 1.00 1.00 H new ATOM 0 HD12 ILE A 30 -6.753 0.149 3.800 1.00 1.00 H new ATOM 0 HD13 ILE A 30 -6.684 -1.410 2.944 1.00 1.00 H new ATOM 418 N PHE A 31 -5.209 -1.293 8.466 1.00 1.00 N ATOM 419 CA PHE A 31 -5.516 -0.443 9.621 1.00 1.00 C ATOM 420 C PHE A 31 -5.379 -1.236 10.928 1.00 1.00 C ATOM 421 O PHE A 31 -5.649 -2.438 10.976 1.00 1.00 O ATOM 422 CB PHE A 31 -6.969 0.062 9.522 1.00 1.00 C ATOM 423 CG PHE A 31 -7.402 0.800 8.266 1.00 1.00 C ATOM 424 CD1 PHE A 31 -6.531 1.652 7.557 1.00 1.00 C ATOM 425 CD2 PHE A 31 -8.728 0.649 7.820 1.00 1.00 C ATOM 426 CE1 PHE A 31 -6.967 2.283 6.378 1.00 1.00 C ATOM 427 CE2 PHE A 31 -9.161 1.265 6.635 1.00 1.00 C ATOM 428 CZ PHE A 31 -8.273 2.070 5.906 1.00 1.00 C ATOM 0 H PHE A 31 -5.716 -2.178 8.481 1.00 1.00 H new ATOM 0 HA PHE A 31 -4.816 0.392 9.621 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -7.627 -0.799 9.643 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.148 0.722 10.371 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -5.528 1.820 7.920 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -9.420 0.053 8.396 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -6.297 2.932 5.835 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -10.173 1.120 6.286 1.00 1.00 H new ATOM 0 HZ PHE A 31 -8.594 2.526 4.981 1.00 1.00 H new ATOM 438 N SER A 32 -4.997 -0.557 12.007 1.00 1.00 N ATOM 439 CA SER A 32 -4.883 -1.120 13.358 1.00 1.00 C ATOM 440 C SER A 32 -5.163 -0.048 14.416 1.00 1.00 C ATOM 441 O SER A 32 -5.229 1.149 14.120 1.00 1.00 O ATOM 442 CB SER A 32 -3.507 -1.764 13.581 1.00 1.00 C ATOM 443 OG SER A 32 -2.523 -0.802 13.913 1.00 1.00 O ATOM 0 H SER A 32 -4.750 0.432 11.968 1.00 1.00 H new ATOM 0 HA SER A 32 -5.634 -1.904 13.458 1.00 1.00 H new ATOM 0 HB2 SER A 32 -3.577 -2.503 14.379 1.00 1.00 H new ATOM 0 HB3 SER A 32 -3.205 -2.297 12.679 1.00 1.00 H new ATOM 0 HG SER A 32 -1.661 -1.249 14.049 1.00 1.00 H new ATOM 449 N ASP A 33 -5.293 -0.468 15.677 1.00 1.00 N ATOM 450 CA ASP A 33 -5.488 0.439 16.813 1.00 1.00 C ATOM 451 C ASP A 33 -4.279 1.370 17.063 1.00 1.00 C ATOM 452 O ASP A 33 -4.387 2.300 17.866 1.00 1.00 O ATOM 453 CB ASP A 33 -5.780 -0.387 18.074 1.00 1.00 C ATOM 454 CG ASP A 33 -7.163 -1.045 18.007 1.00 1.00 C ATOM 455 OD1 ASP A 33 -8.167 -0.308 18.149 1.00 1.00 O ATOM 456 OD2 ASP A 33 -7.243 -2.282 17.824 1.00 1.00 O ATOM 0 H ASP A 33 -5.266 -1.453 15.941 1.00 1.00 H new ATOM 0 HA ASP A 33 -6.332 1.085 16.570 1.00 1.00 H new ATOM 0 HB2 ASP A 33 -5.016 -1.155 18.192 1.00 1.00 H new ATOM 0 HB3 ASP A 33 -5.724 0.256 18.952 1.00 1.00 H new ATOM 461 N THR A 34 -3.139 1.130 16.398 1.00 1.00 N ATOM 462 CA THR A 34 -1.886 1.884 16.570 1.00 1.00 C ATOM 463 C THR A 34 -1.208 2.350 15.274 1.00 1.00 C ATOM 464 O THR A 34 -0.183 3.030 15.359 1.00 1.00 O ATOM 465 CB THR A 34 -0.872 1.091 17.418 1.00 1.00 C ATOM 466 OG1 THR A 34 -0.609 -0.168 16.831 1.00 1.00 O ATOM 467 CG2 THR A 34 -1.368 0.850 18.846 1.00 1.00 C ATOM 0 H THR A 34 -3.060 0.385 15.706 1.00 1.00 H new ATOM 0 HA THR A 34 -2.198 2.792 17.086 1.00 1.00 H new ATOM 0 HB THR A 34 0.033 1.698 17.455 1.00 1.00 H new ATOM 0 HG1 THR A 34 0.038 -0.657 17.382 1.00 1.00 H new ATOM 0 HG21 THR A 34 -0.618 0.288 19.402 1.00 1.00 H new ATOM 0 HG22 THR A 34 -1.542 1.807 19.337 1.00 1.00 H new ATOM 0 HG23 THR A 34 -2.299 0.283 18.817 1.00 1.00 H new ATOM 475 N GLN A 35 -1.727 2.041 14.078 1.00 1.00 N ATOM 476 CA GLN A 35 -1.126 2.469 12.802 1.00 1.00 C ATOM 477 C GLN A 35 -2.096 2.388 11.604 1.00 1.00 C ATOM 478 O GLN A 35 -2.898 1.460 11.499 1.00 1.00 O ATOM 479 CB GLN A 35 0.100 1.566 12.523 1.00 1.00 C ATOM 480 CG GLN A 35 0.986 2.029 11.353 1.00 1.00 C ATOM 481 CD GLN A 35 2.210 1.135 11.148 1.00 1.00 C ATOM 482 OE1 GLN A 35 2.162 -0.085 11.246 1.00 1.00 O ATOM 483 NE2 GLN A 35 3.361 1.700 10.844 1.00 1.00 N ATOM 0 H GLN A 35 -2.576 1.487 13.965 1.00 1.00 H new ATOM 0 HA GLN A 35 -0.849 3.518 12.905 1.00 1.00 H new ATOM 0 HB2 GLN A 35 0.710 1.515 13.425 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -0.250 0.554 12.318 1.00 1.00 H new ATOM 0 HG2 GLN A 35 0.394 2.043 10.438 1.00 1.00 H new ATOM 0 HG3 GLN A 35 1.315 3.052 11.535 1.00 1.00 H new ATOM 0 HE21 GLN A 35 3.424 2.714 10.757 1.00 1.00 H new ATOM 0 HE22 GLN A 35 4.189 1.123 10.695 1.00 1.00 H new ATOM 492 N CYS A 36 -1.951 3.316 10.652 1.00 1.00 N ATOM 493 CA CYS A 36 -2.666 3.327 9.366 1.00 1.00 C ATOM 494 C CYS A 36 -1.640 3.200 8.227 1.00 1.00 C ATOM 495 O CYS A 36 -0.819 4.102 8.037 1.00 1.00 O ATOM 496 CB CYS A 36 -3.470 4.627 9.213 1.00 1.00 C ATOM 497 SG CYS A 36 -4.361 4.764 7.636 1.00 1.00 S ATOM 0 H CYS A 36 -1.314 4.106 10.756 1.00 1.00 H new ATOM 0 HA CYS A 36 -3.363 2.490 9.328 1.00 1.00 H new ATOM 0 HB2 CYS A 36 -4.187 4.697 10.031 1.00 1.00 H new ATOM 0 HB3 CYS A 36 -2.792 5.475 9.310 1.00 1.00 H new ATOM 0 HG CYS A 36 -5.159 3.747 7.499 1.00 1.00 H new ATOM 502 N LYS A 37 -1.666 2.101 7.459 1.00 1.00 N ATOM 503 CA LYS A 37 -0.722 1.866 6.347 1.00 1.00 C ATOM 504 C LYS A 37 -1.023 2.709 5.106 1.00 1.00 C ATOM 505 O LYS A 37 -0.089 3.169 4.454 1.00 1.00 O ATOM 506 CB LYS A 37 -0.703 0.384 5.951 1.00 1.00 C ATOM 507 CG LYS A 37 -0.295 -0.550 7.100 1.00 1.00 C ATOM 508 CD LYS A 37 -0.063 -1.959 6.544 1.00 1.00 C ATOM 509 CE LYS A 37 0.059 -2.991 7.670 1.00 1.00 C ATOM 510 NZ LYS A 37 0.031 -4.373 7.128 1.00 1.00 N ATOM 0 H LYS A 37 -2.341 1.347 7.588 1.00 1.00 H new ATOM 0 HA LYS A 37 0.255 2.170 6.723 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -1.693 0.098 5.595 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -0.013 0.247 5.119 1.00 1.00 H new ATOM 0 HG2 LYS A 37 0.612 -0.181 7.580 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -1.074 -0.570 7.862 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -0.888 -2.232 5.886 1.00 1.00 H new ATOM 0 HD3 LYS A 37 0.844 -1.969 5.940 1.00 1.00 H new ATOM 0 HE2 LYS A 37 0.988 -2.830 8.217 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -0.757 -2.858 8.380 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 0.200 -5.051 7.898 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -0.898 -4.559 6.700 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 0.772 -4.478 6.406 1.00 1.00 H new ATOM 524 N VAL A 38 -2.304 2.945 4.791 1.00 1.00 N ATOM 525 CA VAL A 38 -2.731 3.757 3.624 1.00 1.00 C ATOM 526 C VAL A 38 -2.163 5.180 3.692 1.00 1.00 C ATOM 527 O VAL A 38 -1.756 5.742 2.676 1.00 1.00 O ATOM 528 CB VAL A 38 -4.268 3.791 3.486 1.00 1.00 C ATOM 529 CG1 VAL A 38 -4.717 4.567 2.242 1.00 1.00 C ATOM 530 CG2 VAL A 38 -4.837 2.371 3.369 1.00 1.00 C ATOM 0 H VAL A 38 -3.084 2.579 5.337 1.00 1.00 H new ATOM 0 HA VAL A 38 -2.326 3.274 2.735 1.00 1.00 H new ATOM 0 HB VAL A 38 -4.641 4.287 4.382 1.00 1.00 H new ATOM 0 HG11 VAL A 38 -5.806 4.565 2.185 1.00 1.00 H new ATOM 0 HG12 VAL A 38 -4.359 5.595 2.305 1.00 1.00 H new ATOM 0 HG13 VAL A 38 -4.306 4.094 1.350 1.00 1.00 H new ATOM 0 HG21 VAL A 38 -5.922 2.420 3.273 1.00 1.00 H new ATOM 0 HG22 VAL A 38 -4.417 1.882 2.490 1.00 1.00 H new ATOM 0 HG23 VAL A 38 -4.577 1.800 4.261 1.00 1.00 H new ATOM 540 N CYS A 39 -2.088 5.743 4.901 1.00 1.00 N ATOM 541 CA CYS A 39 -1.539 7.066 5.189 1.00 1.00 C ATOM 542 C CYS A 39 -0.132 6.992 5.824 1.00 1.00 C ATOM 543 O CYS A 39 0.391 8.015 6.273 1.00 1.00 O ATOM 544 CB CYS A 39 -2.549 7.758 6.103 1.00 1.00 C ATOM 545 SG CYS A 39 -4.221 7.866 5.402 1.00 1.00 S ATOM 0 H CYS A 39 -2.423 5.268 5.739 1.00 1.00 H new ATOM 0 HA CYS A 39 -1.396 7.633 4.269 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -2.596 7.220 7.050 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -2.193 8.764 6.326 1.00 1.00 H new ATOM 0 HG CYS A 39 -5.090 7.484 6.291 1.00 1.00 H new ATOM 550 N SER A 40 0.457 5.786 5.868 1.00 1.00 N ATOM 551 CA SER A 40 1.761 5.412 6.444 1.00 1.00 C ATOM 552 C SER A 40 2.148 6.220 7.695 1.00 1.00 C ATOM 553 O SER A 40 3.198 6.867 7.751 1.00 1.00 O ATOM 554 CB SER A 40 2.851 5.378 5.358 1.00 1.00 C ATOM 555 OG SER A 40 3.010 6.627 4.698 1.00 1.00 O ATOM 0 H SER A 40 -0.009 4.973 5.465 1.00 1.00 H new ATOM 0 HA SER A 40 1.660 4.396 6.825 1.00 1.00 H new ATOM 0 HB2 SER A 40 3.799 5.088 5.810 1.00 1.00 H new ATOM 0 HB3 SER A 40 2.601 4.613 4.623 1.00 1.00 H new ATOM 0 HG SER A 40 3.714 6.552 4.020 1.00 1.00 H new ATOM 561 N ALA A 41 1.264 6.193 8.696 1.00 1.00 N ATOM 562 CA ALA A 41 1.398 6.948 9.946 1.00 1.00 C ATOM 563 C ALA A 41 1.027 6.126 11.192 1.00 1.00 C ATOM 564 O ALA A 41 0.100 5.312 11.175 1.00 1.00 O ATOM 565 CB ALA A 41 0.518 8.202 9.841 1.00 1.00 C ATOM 0 H ALA A 41 0.413 5.631 8.659 1.00 1.00 H new ATOM 0 HA ALA A 41 2.446 7.217 10.074 1.00 1.00 H new ATOM 0 HB1 ALA A 41 0.600 8.782 10.760 1.00 1.00 H new ATOM 0 HB2 ALA A 41 0.849 8.809 8.998 1.00 1.00 H new ATOM 0 HB3 ALA A 41 -0.520 7.906 9.690 1.00 1.00 H new ATOM 571 N VAL A 42 1.750 6.373 12.288 1.00 1.00 N ATOM 572 CA VAL A 42 1.547 5.732 13.600 1.00 1.00 C ATOM 573 C VAL A 42 0.517 6.531 14.412 1.00 1.00 C ATOM 574 O VAL A 42 0.396 7.750 14.279 1.00 1.00 O ATOM 575 CB VAL A 42 2.895 5.607 14.348 1.00 1.00 C ATOM 576 CG1 VAL A 42 2.775 4.935 15.725 1.00 1.00 C ATOM 577 CG2 VAL A 42 3.891 4.764 13.535 1.00 1.00 C ATOM 0 H VAL A 42 2.518 7.045 12.292 1.00 1.00 H new ATOM 0 HA VAL A 42 1.157 4.724 13.459 1.00 1.00 H new ATOM 0 HB VAL A 42 3.237 6.633 14.480 1.00 1.00 H new ATOM 0 HG11 VAL A 42 3.759 4.882 16.191 1.00 1.00 H new ATOM 0 HG12 VAL A 42 2.105 5.518 16.357 1.00 1.00 H new ATOM 0 HG13 VAL A 42 2.375 3.928 15.605 1.00 1.00 H new ATOM 0 HG21 VAL A 42 4.833 4.688 14.079 1.00 1.00 H new ATOM 0 HG22 VAL A 42 3.481 3.766 13.379 1.00 1.00 H new ATOM 0 HG23 VAL A 42 4.067 5.239 12.570 1.00 1.00 H new ATOM 587 N LEU A 43 -0.239 5.824 15.253 1.00 1.00 N ATOM 588 CA LEU A 43 -1.353 6.306 16.072 1.00 1.00 C ATOM 589 C LEU A 43 -1.103 5.908 17.540 1.00 1.00 C ATOM 590 O LEU A 43 -1.677 4.952 18.056 1.00 1.00 O ATOM 591 CB LEU A 43 -2.664 5.731 15.481 1.00 1.00 C ATOM 592 CG LEU A 43 -2.891 6.033 13.984 1.00 1.00 C ATOM 593 CD1 LEU A 43 -4.082 5.245 13.444 1.00 1.00 C ATOM 594 CD2 LEU A 43 -3.130 7.521 13.740 1.00 1.00 C ATOM 0 H LEU A 43 -0.077 4.826 15.390 1.00 1.00 H new ATOM 0 HA LEU A 43 -1.440 7.392 16.059 1.00 1.00 H new ATOM 0 HB2 LEU A 43 -2.666 4.650 15.623 1.00 1.00 H new ATOM 0 HB3 LEU A 43 -3.506 6.128 16.048 1.00 1.00 H new ATOM 0 HG LEU A 43 -1.984 5.731 13.460 1.00 1.00 H new ATOM 0 HD11 LEU A 43 -4.222 5.475 12.388 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -3.895 4.178 13.562 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -4.981 5.519 13.997 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -3.286 7.695 12.675 1.00 1.00 H new ATOM 0 HD22 LEU A 43 -4.012 7.843 14.293 1.00 1.00 H new ATOM 0 HD23 LEU A 43 -2.263 8.089 14.077 1.00 1.00 H new ATOM 606 N ILE A 44 -0.177 6.617 18.195 1.00 1.00 N ATOM 607 CA ILE A 44 0.313 6.364 19.563 1.00 1.00 C ATOM 608 C ILE A 44 -0.744 6.285 20.688 1.00 1.00 C ATOM 609 O ILE A 44 -0.429 5.795 21.774 1.00 1.00 O ATOM 610 CB ILE A 44 1.437 7.360 19.937 1.00 1.00 C ATOM 611 CG1 ILE A 44 0.990 8.836 20.075 1.00 1.00 C ATOM 612 CG2 ILE A 44 2.648 7.212 18.996 1.00 1.00 C ATOM 613 CD1 ILE A 44 0.656 9.616 18.795 1.00 1.00 C ATOM 0 H ILE A 44 0.277 7.424 17.768 1.00 1.00 H new ATOM 0 HA ILE A 44 0.699 5.346 19.507 1.00 1.00 H new ATOM 0 HB ILE A 44 1.740 7.078 20.945 1.00 1.00 H new ATOM 0 HG12 ILE A 44 0.110 8.859 20.718 1.00 1.00 H new ATOM 0 HG13 ILE A 44 1.780 9.376 20.597 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.421 7.924 19.283 1.00 1.00 H new ATOM 0 HG22 ILE A 44 3.043 6.199 19.068 1.00 1.00 H new ATOM 0 HG23 ILE A 44 2.337 7.408 17.970 1.00 1.00 H new ATOM 0 HD11 ILE A 44 0.360 10.632 19.055 1.00 1.00 H new ATOM 0 HD12 ILE A 44 1.533 9.648 18.149 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -0.163 9.122 18.271 1.00 1.00 H new ATOM 625 N SER A 45 -1.980 6.737 20.460 1.00 1.00 N ATOM 626 CA SER A 45 -3.101 6.682 21.416 1.00 1.00 C ATOM 627 C SER A 45 -4.451 6.709 20.690 1.00 1.00 C ATOM 628 O SER A 45 -4.553 7.176 19.552 1.00 1.00 O ATOM 629 CB SER A 45 -3.033 7.860 22.401 1.00 1.00 C ATOM 630 OG SER A 45 -2.069 7.615 23.414 1.00 1.00 O ATOM 0 H SER A 45 -2.242 7.168 19.574 1.00 1.00 H new ATOM 0 HA SER A 45 -3.014 5.744 21.965 1.00 1.00 H new ATOM 0 HB2 SER A 45 -2.779 8.774 21.865 1.00 1.00 H new ATOM 0 HB3 SER A 45 -4.012 8.018 22.854 1.00 1.00 H new ATOM 0 HG SER A 45 -1.405 6.974 23.085 1.00 1.00 H new ATOM 636 N GLU A 46 -5.506 6.224 21.354 1.00 1.00 N ATOM 637 CA GLU A 46 -6.871 6.164 20.807 1.00 1.00 C ATOM 638 C GLU A 46 -7.401 7.533 20.357 1.00 1.00 C ATOM 639 O GLU A 46 -8.057 7.605 19.323 1.00 1.00 O ATOM 640 CB GLU A 46 -7.798 5.488 21.828 1.00 1.00 C ATOM 641 CG GLU A 46 -9.215 5.270 21.277 1.00 1.00 C ATOM 642 CD GLU A 46 -9.891 4.066 21.950 1.00 1.00 C ATOM 643 OE1 GLU A 46 -9.739 2.936 21.424 1.00 1.00 O ATOM 644 OE2 GLU A 46 -10.594 4.246 22.974 1.00 1.00 O ATOM 0 H GLU A 46 -5.437 5.855 22.303 1.00 1.00 H new ATOM 0 HA GLU A 46 -6.845 5.562 19.898 1.00 1.00 H new ATOM 0 HB2 GLU A 46 -7.373 4.528 22.121 1.00 1.00 H new ATOM 0 HB3 GLU A 46 -7.851 6.101 22.728 1.00 1.00 H new ATOM 0 HG2 GLU A 46 -9.814 6.166 21.441 1.00 1.00 H new ATOM 0 HG3 GLU A 46 -9.169 5.110 20.200 1.00 1.00 H new ATOM 651 N SER A 47 -7.085 8.631 21.047 1.00 1.00 N ATOM 652 CA SER A 47 -7.499 9.979 20.617 1.00 1.00 C ATOM 653 C SER A 47 -6.914 10.357 19.248 1.00 1.00 C ATOM 654 O SER A 47 -7.637 10.881 18.395 1.00 1.00 O ATOM 655 CB SER A 47 -7.135 11.020 21.677 1.00 1.00 C ATOM 656 OG SER A 47 -5.770 10.911 22.053 1.00 1.00 O ATOM 0 H SER A 47 -6.542 8.618 21.910 1.00 1.00 H new ATOM 0 HA SER A 47 -8.583 9.964 20.504 1.00 1.00 H new ATOM 0 HB2 SER A 47 -7.330 12.020 21.291 1.00 1.00 H new ATOM 0 HB3 SER A 47 -7.769 10.888 22.554 1.00 1.00 H new ATOM 0 HG SER A 47 -5.562 11.588 22.730 1.00 1.00 H new ATOM 662 N GLN A 48 -5.641 10.030 18.984 1.00 1.00 N ATOM 663 CA GLN A 48 -5.026 10.233 17.665 1.00 1.00 C ATOM 664 C GLN A 48 -5.646 9.282 16.634 1.00 1.00 C ATOM 665 O GLN A 48 -5.919 9.707 15.512 1.00 1.00 O ATOM 666 CB GLN A 48 -3.498 10.053 17.710 1.00 1.00 C ATOM 667 CG GLN A 48 -2.766 11.325 18.164 1.00 1.00 C ATOM 668 CD GLN A 48 -2.951 11.631 19.649 1.00 1.00 C ATOM 669 OE1 GLN A 48 -2.503 10.898 20.518 1.00 1.00 O ATOM 670 NE2 GLN A 48 -3.598 12.723 20.000 1.00 1.00 N ATOM 0 H GLN A 48 -5.012 9.620 19.674 1.00 1.00 H new ATOM 0 HA GLN A 48 -5.226 11.262 17.366 1.00 1.00 H new ATOM 0 HB2 GLN A 48 -3.252 9.235 18.388 1.00 1.00 H new ATOM 0 HB3 GLN A 48 -3.140 9.766 16.721 1.00 1.00 H new ATOM 0 HG2 GLN A 48 -1.702 11.219 17.952 1.00 1.00 H new ATOM 0 HG3 GLN A 48 -3.125 12.171 17.578 1.00 1.00 H new ATOM 0 HE21 GLN A 48 -3.977 13.343 19.285 1.00 1.00 H new ATOM 0 HE22 GLN A 48 -3.720 12.948 20.987 1.00 1.00 H new ATOM 679 N LYS A 49 -5.919 8.020 17.005 1.00 1.00 N ATOM 680 CA LYS A 49 -6.575 7.044 16.114 1.00 1.00 C ATOM 681 C LYS A 49 -7.960 7.551 15.685 1.00 1.00 C ATOM 682 O LYS A 49 -8.263 7.578 14.494 1.00 1.00 O ATOM 683 CB LYS A 49 -6.566 5.633 16.768 1.00 1.00 C ATOM 684 CG LYS A 49 -7.942 5.002 17.050 1.00 1.00 C ATOM 685 CD LYS A 49 -7.886 3.629 17.735 1.00 1.00 C ATOM 686 CE LYS A 49 -9.342 3.207 17.949 1.00 1.00 C ATOM 687 NZ LYS A 49 -9.510 2.008 18.805 1.00 1.00 N ATOM 0 H LYS A 49 -5.693 7.647 17.927 1.00 1.00 H new ATOM 0 HA LYS A 49 -6.013 6.939 15.186 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -6.007 4.959 16.119 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -6.019 5.696 17.709 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -8.518 5.683 17.677 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -8.481 4.902 16.108 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -7.356 2.905 17.116 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -7.353 3.687 18.684 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -9.887 4.038 18.397 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -9.798 3.013 16.978 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -10.433 1.569 18.611 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -8.752 1.326 18.600 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -9.463 2.287 19.806 1.00 1.00 H new ATOM 701 N LEU A 50 -8.772 8.023 16.633 1.00 1.00 N ATOM 702 CA LEU A 50 -10.109 8.565 16.380 1.00 1.00 C ATOM 703 C LEU A 50 -10.064 9.791 15.465 1.00 1.00 C ATOM 704 O LEU A 50 -10.893 9.902 14.563 1.00 1.00 O ATOM 705 CB LEU A 50 -10.820 8.889 17.711 1.00 1.00 C ATOM 706 CG LEU A 50 -11.295 7.677 18.537 1.00 1.00 C ATOM 707 CD1 LEU A 50 -12.158 8.168 19.698 1.00 1.00 C ATOM 708 CD2 LEU A 50 -12.129 6.676 17.740 1.00 1.00 C ATOM 0 H LEU A 50 -8.513 8.040 17.619 1.00 1.00 H new ATOM 0 HA LEU A 50 -10.684 7.800 15.858 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -10.143 9.480 18.327 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -11.684 9.517 17.495 1.00 1.00 H new ATOM 0 HG LEU A 50 -10.391 7.168 18.872 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -12.497 7.315 20.286 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -11.572 8.835 20.331 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -13.022 8.705 19.307 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -12.426 5.852 18.389 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -13.019 7.171 17.352 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -11.538 6.289 16.910 1.00 1.00 H new ATOM 720 N ALA A 51 -9.105 10.698 15.659 1.00 1.00 N ATOM 721 CA ALA A 51 -8.961 11.870 14.798 1.00 1.00 C ATOM 722 C ALA A 51 -8.483 11.492 13.385 1.00 1.00 C ATOM 723 O ALA A 51 -9.017 12.003 12.399 1.00 1.00 O ATOM 724 CB ALA A 51 -8.006 12.859 15.475 1.00 1.00 C ATOM 0 H ALA A 51 -8.415 10.642 16.408 1.00 1.00 H new ATOM 0 HA ALA A 51 -9.936 12.339 14.666 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -7.888 13.740 14.844 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -8.415 13.156 16.441 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -7.035 12.385 15.622 1.00 1.00 H new ATOM 730 N HIS A 52 -7.509 10.582 13.266 1.00 1.00 N ATOM 731 CA HIS A 52 -6.979 10.140 11.976 1.00 1.00 C ATOM 732 C HIS A 52 -8.033 9.401 11.138 1.00 1.00 C ATOM 733 O HIS A 52 -8.262 9.773 9.989 1.00 1.00 O ATOM 734 CB HIS A 52 -5.742 9.261 12.202 1.00 1.00 C ATOM 735 CG HIS A 52 -5.005 8.939 10.923 1.00 1.00 C ATOM 736 ND1 HIS A 52 -3.824 9.511 10.499 1.00 1.00 N ATOM 737 CD2 HIS A 52 -5.404 8.068 9.944 1.00 1.00 C ATOM 738 CE1 HIS A 52 -3.527 9.010 9.288 1.00 1.00 C ATOM 739 NE2 HIS A 52 -4.470 8.134 8.906 1.00 1.00 N ATOM 0 H HIS A 52 -7.066 10.131 14.067 1.00 1.00 H new ATOM 0 HA HIS A 52 -6.694 11.025 11.407 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -5.063 9.768 12.888 1.00 1.00 H new ATOM 0 HB3 HIS A 52 -6.047 8.332 12.683 1.00 1.00 H new ATOM 0 HD1 HIS A 52 -3.272 10.196 11.015 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -6.284 7.442 9.970 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -2.656 9.274 8.706 1.00 1.00 H new ATOM 747 N TYR A 53 -8.711 8.391 11.698 1.00 1.00 N ATOM 748 CA TYR A 53 -9.722 7.612 10.967 1.00 1.00 C ATOM 749 C TYR A 53 -10.974 8.420 10.565 1.00 1.00 C ATOM 750 O TYR A 53 -11.683 8.015 9.645 1.00 1.00 O ATOM 751 CB TYR A 53 -10.066 6.326 11.740 1.00 1.00 C ATOM 752 CG TYR A 53 -8.946 5.291 11.745 1.00 1.00 C ATOM 753 CD1 TYR A 53 -8.523 4.716 10.533 1.00 1.00 C ATOM 754 CD2 TYR A 53 -8.328 4.890 12.945 1.00 1.00 C ATOM 755 CE1 TYR A 53 -7.452 3.803 10.509 1.00 1.00 C ATOM 756 CE2 TYR A 53 -7.267 3.966 12.933 1.00 1.00 C ATOM 757 CZ TYR A 53 -6.817 3.427 11.710 1.00 1.00 C ATOM 758 OH TYR A 53 -5.791 2.538 11.690 1.00 1.00 O ATOM 0 H TYR A 53 -8.577 8.091 12.664 1.00 1.00 H new ATOM 0 HA TYR A 53 -9.274 7.331 10.014 1.00 1.00 H new ATOM 0 HB2 TYR A 53 -10.311 6.587 12.770 1.00 1.00 H new ATOM 0 HB3 TYR A 53 -10.959 5.879 11.303 1.00 1.00 H new ATOM 0 HD1 TYR A 53 -9.024 4.977 9.613 1.00 1.00 H new ATOM 0 HD2 TYR A 53 -8.672 5.296 13.885 1.00 1.00 H new ATOM 0 HE1 TYR A 53 -7.116 3.390 9.569 1.00 1.00 H new ATOM 0 HE2 TYR A 53 -6.798 3.670 13.859 1.00 1.00 H new ATOM 0 HH TYR A 53 -5.706 2.117 12.571 1.00 1.00 H new ATOM 768 N GLN A 54 -11.233 9.574 11.198 1.00 1.00 N ATOM 769 CA GLN A 54 -12.344 10.480 10.852 1.00 1.00 C ATOM 770 C GLN A 54 -11.900 11.660 9.958 1.00 1.00 C ATOM 771 O GLN A 54 -12.749 12.368 9.407 1.00 1.00 O ATOM 772 CB GLN A 54 -13.004 11.008 12.137 1.00 1.00 C ATOM 773 CG GLN A 54 -13.727 9.900 12.917 1.00 1.00 C ATOM 774 CD GLN A 54 -14.368 10.427 14.195 1.00 1.00 C ATOM 775 OE1 GLN A 54 -15.568 10.650 14.283 1.00 1.00 O ATOM 776 NE2 GLN A 54 -13.590 10.645 15.232 1.00 1.00 N ATOM 0 H GLN A 54 -10.669 9.911 11.978 1.00 1.00 H new ATOM 0 HA GLN A 54 -13.064 9.901 10.273 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -12.244 11.461 12.774 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -13.715 11.793 11.881 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -14.494 9.453 12.285 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -13.018 9.110 13.166 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -12.589 10.461 15.166 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -13.988 10.998 16.103 1.00 1.00 H new ATOM 785 N SER A 55 -10.590 11.887 9.796 1.00 1.00 N ATOM 786 CA SER A 55 -10.039 12.969 8.969 1.00 1.00 C ATOM 787 C SER A 55 -10.476 12.852 7.508 1.00 1.00 C ATOM 788 O SER A 55 -10.437 11.772 6.910 1.00 1.00 O ATOM 789 CB SER A 55 -8.508 12.986 9.042 1.00 1.00 C ATOM 790 OG SER A 55 -7.996 13.997 8.187 1.00 1.00 O ATOM 0 H SER A 55 -9.872 11.316 10.242 1.00 1.00 H new ATOM 0 HA SER A 55 -10.433 13.903 9.370 1.00 1.00 H new ATOM 0 HB2 SER A 55 -8.186 13.167 10.067 1.00 1.00 H new ATOM 0 HB3 SER A 55 -8.110 12.014 8.750 1.00 1.00 H new ATOM 0 HG SER A 55 -7.017 14.005 8.239 1.00 1.00 H new ATOM 796 N ARG A 56 -10.859 13.982 6.902 1.00 1.00 N ATOM 797 CA ARG A 56 -11.270 14.044 5.489 1.00 1.00 C ATOM 798 C ARG A 56 -10.124 13.682 4.535 1.00 1.00 C ATOM 799 O ARG A 56 -10.372 13.100 3.479 1.00 1.00 O ATOM 800 CB ARG A 56 -11.882 15.414 5.163 1.00 1.00 C ATOM 801 CG ARG A 56 -13.072 15.774 6.070 1.00 1.00 C ATOM 802 CD ARG A 56 -14.189 14.720 6.097 1.00 1.00 C ATOM 803 NE ARG A 56 -15.364 15.203 6.848 1.00 1.00 N ATOM 804 CZ ARG A 56 -15.665 14.995 8.120 1.00 1.00 C ATOM 805 NH1 ARG A 56 -14.938 14.265 8.921 1.00 1.00 N ATOM 806 NH2 ARG A 56 -16.737 15.533 8.627 1.00 1.00 N ATOM 0 H ARG A 56 -10.894 14.884 7.377 1.00 1.00 H new ATOM 0 HA ARG A 56 -12.041 13.289 5.335 1.00 1.00 H new ATOM 0 HB2 ARG A 56 -11.114 16.181 5.260 1.00 1.00 H new ATOM 0 HB3 ARG A 56 -12.210 15.421 4.123 1.00 1.00 H new ATOM 0 HG2 ARG A 56 -12.707 15.925 7.086 1.00 1.00 H new ATOM 0 HG3 ARG A 56 -13.492 16.723 5.738 1.00 1.00 H new ATOM 0 HD2 ARG A 56 -14.483 14.473 5.077 1.00 1.00 H new ATOM 0 HD3 ARG A 56 -13.816 13.803 6.552 1.00 1.00 H new ATOM 0 HE ARG A 56 -16.028 15.769 6.320 1.00 1.00 H new ATOM 0 HH11 ARG A 56 -14.088 13.820 8.575 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -15.220 14.140 9.893 1.00 1.00 H new ATOM 0 HH21 ARG A 56 -17.341 16.112 8.044 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -16.972 15.375 9.607 1.00 1.00 H new ATOM 820 N LYS A 57 -8.871 13.959 4.929 1.00 1.00 N ATOM 821 CA LYS A 57 -7.664 13.603 4.158 1.00 1.00 C ATOM 822 C LYS A 57 -7.482 12.082 4.130 1.00 1.00 C ATOM 823 O LYS A 57 -7.284 11.510 3.059 1.00 1.00 O ATOM 824 CB LYS A 57 -6.415 14.285 4.753 1.00 1.00 C ATOM 825 CG LYS A 57 -6.254 15.775 4.400 1.00 1.00 C ATOM 826 CD LYS A 57 -7.324 16.703 5.001 1.00 1.00 C ATOM 827 CE LYS A 57 -6.957 18.189 4.861 1.00 1.00 C ATOM 828 NZ LYS A 57 -6.959 18.651 3.446 1.00 1.00 N ATOM 0 H LYS A 57 -8.663 14.443 5.803 1.00 1.00 H new ATOM 0 HA LYS A 57 -7.791 13.958 3.135 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -6.448 14.186 5.838 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -5.530 13.749 4.411 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -5.273 16.109 4.738 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -6.271 15.880 3.315 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -8.279 16.519 4.508 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -7.459 16.463 6.056 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -7.663 18.789 5.436 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -5.970 18.357 5.292 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -6.705 19.659 3.410 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -6.267 18.100 2.900 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -7.907 18.518 3.039 1.00 1.00 H new ATOM 842 N HIS A 58 -7.633 11.421 5.284 1.00 1.00 N ATOM 843 CA HIS A 58 -7.594 9.955 5.404 1.00 1.00 C ATOM 844 C HIS A 58 -8.728 9.326 4.591 1.00 1.00 C ATOM 845 O HIS A 58 -8.492 8.428 3.788 1.00 1.00 O ATOM 846 CB HIS A 58 -7.699 9.550 6.886 1.00 1.00 C ATOM 847 CG HIS A 58 -8.049 8.093 7.107 1.00 1.00 C ATOM 848 ND1 HIS A 58 -7.141 7.043 7.249 1.00 1.00 N ATOM 849 CD2 HIS A 58 -9.317 7.586 7.155 1.00 1.00 C ATOM 850 CE1 HIS A 58 -7.879 5.926 7.352 1.00 1.00 C ATOM 851 NE2 HIS A 58 -9.189 6.224 7.298 1.00 1.00 N ATOM 0 H HIS A 58 -7.788 11.894 6.174 1.00 1.00 H new ATOM 0 HA HIS A 58 -6.647 9.590 5.008 1.00 1.00 H new ATOM 0 HB2 HIS A 58 -6.750 9.763 7.378 1.00 1.00 H new ATOM 0 HB3 HIS A 58 -8.454 10.171 7.368 1.00 1.00 H new ATOM 0 HD2 HIS A 58 -10.239 8.145 7.093 1.00 1.00 H new ATOM 0 HE1 HIS A 58 -7.477 4.930 7.463 1.00 1.00 H new ATOM 0 HE2 HIS A 58 -9.957 5.555 7.354 1.00 1.00 H new ATOM 859 N ALA A 59 -9.955 9.826 4.765 1.00 1.00 N ATOM 860 CA ALA A 59 -11.142 9.327 4.080 1.00 1.00 C ATOM 861 C ALA A 59 -10.999 9.382 2.548 1.00 1.00 C ATOM 862 O ALA A 59 -11.233 8.379 1.870 1.00 1.00 O ATOM 863 CB ALA A 59 -12.335 10.141 4.589 1.00 1.00 C ATOM 0 H ALA A 59 -10.150 10.602 5.397 1.00 1.00 H new ATOM 0 HA ALA A 59 -11.290 8.271 4.304 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -13.246 9.797 4.099 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -12.431 10.010 5.667 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -12.178 11.196 4.364 1.00 1.00 H new ATOM 869 N ASN A 60 -10.560 10.521 1.995 1.00 1.00 N ATOM 870 CA ASN A 60 -10.322 10.661 0.558 1.00 1.00 C ATOM 871 C ASN A 60 -9.197 9.725 0.076 1.00 1.00 C ATOM 872 O ASN A 60 -9.368 9.037 -0.933 1.00 1.00 O ATOM 873 CB ASN A 60 -10.021 12.133 0.231 1.00 1.00 C ATOM 874 CG ASN A 60 -9.856 12.367 -1.265 1.00 1.00 C ATOM 875 OD1 ASN A 60 -10.528 11.771 -2.096 1.00 1.00 O ATOM 876 ND2 ASN A 60 -8.954 13.235 -1.661 1.00 1.00 N ATOM 0 H ASN A 60 -10.362 11.366 2.531 1.00 1.00 H new ATOM 0 HA ASN A 60 -11.221 10.361 0.020 1.00 1.00 H new ATOM 0 HB2 ASN A 60 -10.829 12.760 0.608 1.00 1.00 H new ATOM 0 HB3 ASN A 60 -9.112 12.440 0.748 1.00 1.00 H new ATOM 0 HD21 ASN A 60 -8.817 13.409 -2.657 1.00 1.00 H new ATOM 0 HD22 ASN A 60 -8.391 13.735 -0.973 1.00 1.00 H new ATOM 883 N LYS A 61 -8.066 9.653 0.799 1.00 1.00 N ATOM 884 CA LYS A 61 -6.945 8.767 0.464 1.00 1.00 C ATOM 885 C LYS A 61 -7.369 7.296 0.435 1.00 1.00 C ATOM 886 O LYS A 61 -7.026 6.594 -0.511 1.00 1.00 O ATOM 887 CB LYS A 61 -5.782 9.023 1.436 1.00 1.00 C ATOM 888 CG LYS A 61 -4.474 8.503 0.830 1.00 1.00 C ATOM 889 CD LYS A 61 -3.257 8.647 1.758 1.00 1.00 C ATOM 890 CE LYS A 61 -2.944 10.086 2.204 1.00 1.00 C ATOM 891 NZ LYS A 61 -2.487 10.943 1.078 1.00 1.00 N ATOM 0 H LYS A 61 -7.906 10.213 1.637 1.00 1.00 H new ATOM 0 HA LYS A 61 -6.604 8.996 -0.546 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -5.698 10.090 1.644 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -5.975 8.527 2.387 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -4.598 7.452 0.570 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -4.276 9.039 -0.098 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -3.422 8.036 2.645 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -2.382 8.242 1.250 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -3.834 10.526 2.653 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -2.175 10.065 2.976 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -2.289 11.902 1.429 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -1.622 10.540 0.664 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -3.230 10.987 0.352 1.00 1.00 H new ATOM 905 N VAL A 62 -8.157 6.837 1.411 1.00 1.00 N ATOM 906 CA VAL A 62 -8.698 5.465 1.447 1.00 1.00 C ATOM 907 C VAL A 62 -9.632 5.217 0.260 1.00 1.00 C ATOM 908 O VAL A 62 -9.485 4.202 -0.415 1.00 1.00 O ATOM 909 CB VAL A 62 -9.387 5.175 2.796 1.00 1.00 C ATOM 910 CG1 VAL A 62 -10.159 3.849 2.805 1.00 1.00 C ATOM 911 CG2 VAL A 62 -8.328 5.089 3.902 1.00 1.00 C ATOM 0 H VAL A 62 -8.443 7.407 2.207 1.00 1.00 H new ATOM 0 HA VAL A 62 -7.866 4.766 1.357 1.00 1.00 H new ATOM 0 HB VAL A 62 -10.092 5.990 2.960 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -10.621 3.703 3.782 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -10.933 3.873 2.038 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -9.473 3.027 2.602 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -8.814 4.884 4.856 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -7.626 4.287 3.672 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -7.790 6.035 3.965 1.00 1.00 H new ATOM 1397 N SER A 94 0.109 -19.865 10.763 1.00 1.00 N ATOM 1398 CA SER A 94 -0.700 -20.270 9.593 1.00 1.00 C ATOM 1399 C SER A 94 -0.395 -21.685 9.060 1.00 1.00 C ATOM 1400 O SER A 94 -1.099 -22.174 8.178 1.00 1.00 O ATOM 1401 CB SER A 94 -0.657 -19.226 8.463 1.00 1.00 C ATOM 1402 OG SER A 94 -1.053 -17.952 8.952 1.00 1.00 O ATOM 0 HA SER A 94 -1.720 -20.316 9.974 1.00 1.00 H new ATOM 0 HB2 SER A 94 0.350 -19.168 8.051 1.00 1.00 H new ATOM 0 HB3 SER A 94 -1.316 -19.532 7.651 1.00 1.00 H new ATOM 0 HG SER A 94 -0.762 -17.854 9.883 1.00 1.00 H new ATOM 1408 N LYS A 95 0.626 -22.361 9.610 1.00 1.00 N ATOM 1409 CA LYS A 95 1.049 -23.738 9.279 1.00 1.00 C ATOM 1410 C LYS A 95 1.374 -24.586 10.517 1.00 1.00 C ATOM 1411 O LYS A 95 1.298 -25.812 10.451 1.00 1.00 O ATOM 1412 CB LYS A 95 2.228 -23.720 8.303 1.00 1.00 C ATOM 1413 CG LYS A 95 1.762 -23.247 6.917 1.00 1.00 C ATOM 1414 CD LYS A 95 2.804 -23.546 5.842 1.00 1.00 C ATOM 1415 CE LYS A 95 2.837 -25.035 5.467 1.00 1.00 C ATOM 1416 NZ LYS A 95 3.940 -25.328 4.520 1.00 1.00 N ATOM 0 H LYS A 95 1.211 -21.944 10.334 1.00 1.00 H new ATOM 0 HA LYS A 95 0.196 -24.217 8.798 1.00 1.00 H new ATOM 0 HB2 LYS A 95 3.009 -23.059 8.677 1.00 1.00 H new ATOM 0 HB3 LYS A 95 2.663 -24.717 8.228 1.00 1.00 H new ATOM 0 HG2 LYS A 95 0.823 -23.738 6.661 1.00 1.00 H new ATOM 0 HG3 LYS A 95 1.564 -22.175 6.945 1.00 1.00 H new ATOM 0 HD2 LYS A 95 2.587 -22.954 4.953 1.00 1.00 H new ATOM 0 HD3 LYS A 95 3.788 -23.240 6.197 1.00 1.00 H new ATOM 0 HE2 LYS A 95 2.959 -25.636 6.368 1.00 1.00 H new ATOM 0 HE3 LYS A 95 1.885 -25.321 5.019 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 3.936 -26.341 4.286 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 3.809 -24.771 3.651 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 4.849 -25.077 4.958 1.00 1.00 H new ATOM 1430 N CYS A 96 1.678 -23.958 11.654 1.00 1.00 N ATOM 1431 CA CYS A 96 1.922 -24.624 12.934 1.00 1.00 C ATOM 1432 C CYS A 96 1.510 -23.751 14.129 1.00 1.00 C ATOM 1433 O CYS A 96 1.141 -22.581 13.982 1.00 1.00 O ATOM 1434 CB CYS A 96 3.388 -25.096 13.017 1.00 1.00 C ATOM 1435 SG CYS A 96 4.519 -23.733 13.428 1.00 1.00 S ATOM 0 H CYS A 96 1.764 -22.943 11.711 1.00 1.00 H new ATOM 0 HA CYS A 96 1.287 -25.508 12.987 1.00 1.00 H new ATOM 0 HB2 CYS A 96 3.475 -25.879 13.770 1.00 1.00 H new ATOM 0 HB3 CYS A 96 3.682 -25.536 12.064 1.00 1.00 H new ATOM 0 HG CYS A 96 5.737 -24.183 13.488 1.00 1.00 H new ATOM 1441 N CYS A 97 1.555 -24.348 15.318 1.00 1.00 N ATOM 1442 CA CYS A 97 1.213 -23.720 16.587 1.00 1.00 C ATOM 1443 C CYS A 97 2.116 -24.268 17.707 1.00 1.00 C ATOM 1444 O CYS A 97 1.787 -25.305 18.291 1.00 1.00 O ATOM 1445 CB CYS A 97 -0.265 -23.982 16.893 1.00 1.00 C ATOM 1446 SG CYS A 97 -0.814 -23.194 18.420 1.00 1.00 S ATOM 0 H CYS A 97 1.842 -25.321 15.425 1.00 1.00 H new ATOM 0 HA CYS A 97 1.374 -22.644 16.524 1.00 1.00 H new ATOM 0 HB2 CYS A 97 -0.873 -23.620 16.064 1.00 1.00 H new ATOM 0 HB3 CYS A 97 -0.431 -25.057 16.964 1.00 1.00 H new ATOM 0 HG CYS A 97 -1.482 -24.050 19.135 1.00 1.00 H new ATOM 1451 N PRO A 98 3.248 -23.618 18.040 1.00 1.00 N ATOM 1452 CA PRO A 98 4.151 -24.095 19.094 1.00 1.00 C ATOM 1453 C PRO A 98 3.540 -24.018 20.505 1.00 1.00 C ATOM 1454 O PRO A 98 3.957 -24.766 21.389 1.00 1.00 O ATOM 1455 CB PRO A 98 5.416 -23.241 18.956 1.00 1.00 C ATOM 1456 CG PRO A 98 4.909 -21.939 18.338 1.00 1.00 C ATOM 1457 CD PRO A 98 3.764 -22.396 17.436 1.00 1.00 C ATOM 0 HA PRO A 98 4.364 -25.157 18.971 1.00 1.00 H new ATOM 0 HB2 PRO A 98 5.889 -23.068 19.922 1.00 1.00 H new ATOM 0 HB3 PRO A 98 6.158 -23.724 18.320 1.00 1.00 H new ATOM 0 HG2 PRO A 98 4.565 -21.240 19.100 1.00 1.00 H new ATOM 0 HG3 PRO A 98 5.690 -21.433 17.770 1.00 1.00 H new ATOM 0 HD2 PRO A 98 2.988 -21.633 17.372 1.00 1.00 H new ATOM 0 HD3 PRO A 98 4.115 -22.579 16.421 1.00 1.00 H new ATOM 1465 N VAL A 99 2.524 -23.166 20.723 1.00 1.00 N ATOM 1466 CA VAL A 99 1.796 -23.043 22.008 1.00 1.00 C ATOM 1467 C VAL A 99 1.069 -24.352 22.365 1.00 1.00 C ATOM 1468 O VAL A 99 0.941 -24.697 23.540 1.00 1.00 O ATOM 1469 CB VAL A 99 0.789 -21.869 21.975 1.00 1.00 C ATOM 1470 CG1 VAL A 99 0.189 -21.593 23.360 1.00 1.00 C ATOM 1471 CG2 VAL A 99 1.441 -20.559 21.503 1.00 1.00 C ATOM 0 H VAL A 99 2.176 -22.532 20.004 1.00 1.00 H new ATOM 0 HA VAL A 99 2.538 -22.838 22.779 1.00 1.00 H new ATOM 0 HB VAL A 99 0.013 -22.179 21.275 1.00 1.00 H new ATOM 0 HG11 VAL A 99 -0.513 -20.762 23.293 1.00 1.00 H new ATOM 0 HG12 VAL A 99 -0.334 -22.482 23.714 1.00 1.00 H new ATOM 0 HG13 VAL A 99 0.987 -21.339 24.058 1.00 1.00 H new ATOM 0 HG21 VAL A 99 0.696 -19.764 21.496 1.00 1.00 H new ATOM 0 HG22 VAL A 99 2.251 -20.291 22.181 1.00 1.00 H new ATOM 0 HG23 VAL A 99 1.839 -20.692 20.497 1.00 1.00 H new ATOM 1481 N CYS A 100 0.627 -25.097 21.345 1.00 1.00 N ATOM 1482 CA CYS A 100 -0.074 -26.383 21.456 1.00 1.00 C ATOM 1483 C CYS A 100 0.747 -27.582 20.928 1.00 1.00 C ATOM 1484 O CYS A 100 0.356 -28.737 21.098 1.00 1.00 O ATOM 1485 CB CYS A 100 -1.368 -26.265 20.650 1.00 1.00 C ATOM 1486 SG CYS A 100 -2.520 -24.986 21.220 1.00 1.00 S ATOM 0 H CYS A 100 0.754 -24.807 20.375 1.00 1.00 H new ATOM 0 HA CYS A 100 -0.255 -26.581 22.512 1.00 1.00 H new ATOM 0 HB2 CYS A 100 -1.112 -26.063 19.610 1.00 1.00 H new ATOM 0 HB3 CYS A 100 -1.879 -27.227 20.671 1.00 1.00 H new ATOM 0 HG CYS A 100 -3.213 -24.546 20.212 1.00 1.00 H new ATOM 1491 N ASN A 101 1.864 -27.290 20.260 1.00 1.00 N ATOM 1492 CA ASN A 101 2.791 -28.200 19.583 1.00 1.00 C ATOM 1493 C ASN A 101 2.094 -29.063 18.506 1.00 1.00 C ATOM 1494 O ASN A 101 2.101 -30.295 18.557 1.00 1.00 O ATOM 1495 CB ASN A 101 3.628 -28.973 20.623 1.00 1.00 C ATOM 1496 CG ASN A 101 4.772 -29.761 19.998 1.00 1.00 C ATOM 1497 OD1 ASN A 101 5.326 -29.406 18.966 1.00 1.00 O ATOM 1498 ND2 ASN A 101 5.175 -30.855 20.608 1.00 1.00 N ATOM 0 H ASN A 101 2.171 -26.322 20.171 1.00 1.00 H new ATOM 0 HA ASN A 101 3.507 -27.620 19.001 1.00 1.00 H new ATOM 0 HB2 ASN A 101 4.033 -28.270 21.351 1.00 1.00 H new ATOM 0 HB3 ASN A 101 2.978 -29.657 21.169 1.00 1.00 H new ATOM 0 HD21 ASN A 101 5.944 -31.401 20.220 1.00 1.00 H new ATOM 0 HD22 ASN A 101 4.718 -31.157 21.468 1.00 1.00 H new ATOM 1505 N MET A 102 1.473 -28.386 17.531 1.00 1.00 N ATOM 1506 CA MET A 102 0.728 -28.993 16.411 1.00 1.00 C ATOM 1507 C MET A 102 1.017 -28.317 15.057 1.00 1.00 C ATOM 1508 O MET A 102 1.597 -27.229 14.998 1.00 1.00 O ATOM 1509 CB MET A 102 -0.787 -28.949 16.697 1.00 1.00 C ATOM 1510 CG MET A 102 -1.192 -29.747 17.943 1.00 1.00 C ATOM 1511 SD MET A 102 -2.966 -30.114 18.082 1.00 1.00 S ATOM 1512 CE MET A 102 -3.667 -28.443 18.143 1.00 1.00 C ATOM 0 H MET A 102 1.473 -27.367 17.496 1.00 1.00 H new ATOM 0 HA MET A 102 1.069 -30.026 16.334 1.00 1.00 H new ATOM 0 HB2 MET A 102 -1.096 -27.911 16.822 1.00 1.00 H new ATOM 0 HB3 MET A 102 -1.324 -29.340 15.833 1.00 1.00 H new ATOM 0 HG2 MET A 102 -0.641 -30.687 17.948 1.00 1.00 H new ATOM 0 HG3 MET A 102 -0.882 -29.191 18.828 1.00 1.00 H new ATOM 0 HE1 MET A 102 -4.645 -28.476 18.623 1.00 1.00 H new ATOM 0 HE2 MET A 102 -3.005 -27.791 18.713 1.00 1.00 H new ATOM 0 HE3 MET A 102 -3.773 -28.056 17.130 1.00 1.00 H new ATOM 1522 N THR A 103 0.579 -28.956 13.966 1.00 1.00 N ATOM 1523 CA THR A 103 0.716 -28.505 12.565 1.00 1.00 C ATOM 1524 C THR A 103 -0.621 -28.585 11.817 1.00 1.00 C ATOM 1525 O THR A 103 -1.518 -29.342 12.204 1.00 1.00 O ATOM 1526 CB THR A 103 1.786 -29.313 11.805 1.00 1.00 C ATOM 1527 OG1 THR A 103 1.525 -30.701 11.889 1.00 1.00 O ATOM 1528 CG2 THR A 103 3.192 -29.067 12.355 1.00 1.00 C ATOM 0 H THR A 103 0.093 -29.850 14.034 1.00 1.00 H new ATOM 0 HA THR A 103 1.035 -27.463 12.604 1.00 1.00 H new ATOM 0 HB THR A 103 1.740 -28.977 10.769 1.00 1.00 H new ATOM 0 HG1 THR A 103 2.215 -31.194 11.398 1.00 1.00 H new ATOM 0 HG21 THR A 103 3.913 -29.657 11.789 1.00 1.00 H new ATOM 0 HG22 THR A 103 3.438 -28.009 12.264 1.00 1.00 H new ATOM 0 HG23 THR A 103 3.228 -29.359 13.404 1.00 1.00 H new ATOM 1536 N PHE A 104 -0.769 -27.789 10.751 1.00 1.00 N ATOM 1537 CA PHE A 104 -1.996 -27.676 9.948 1.00 1.00 C ATOM 1538 C PHE A 104 -1.725 -27.787 8.439 1.00 1.00 C ATOM 1539 O PHE A 104 -0.685 -27.344 7.943 1.00 1.00 O ATOM 1540 CB PHE A 104 -2.698 -26.342 10.265 1.00 1.00 C ATOM 1541 CG PHE A 104 -2.732 -25.973 11.738 1.00 1.00 C ATOM 1542 CD1 PHE A 104 -3.500 -26.731 12.644 1.00 1.00 C ATOM 1543 CD2 PHE A 104 -1.956 -24.898 12.211 1.00 1.00 C ATOM 1544 CE1 PHE A 104 -3.474 -26.426 14.017 1.00 1.00 C ATOM 1545 CE2 PHE A 104 -1.949 -24.579 13.578 1.00 1.00 C ATOM 1546 CZ PHE A 104 -2.693 -25.355 14.483 1.00 1.00 C ATOM 0 H PHE A 104 -0.018 -27.188 10.412 1.00 1.00 H new ATOM 0 HA PHE A 104 -2.643 -28.512 10.216 1.00 1.00 H new ATOM 0 HB2 PHE A 104 -2.196 -25.545 9.717 1.00 1.00 H new ATOM 0 HB3 PHE A 104 -3.722 -26.389 9.893 1.00 1.00 H new ATOM 0 HD1 PHE A 104 -4.109 -27.547 12.284 1.00 1.00 H new ATOM 0 HD2 PHE A 104 -1.364 -24.317 11.520 1.00 1.00 H new ATOM 0 HE1 PHE A 104 -4.054 -27.015 14.712 1.00 1.00 H new ATOM 0 HE2 PHE A 104 -1.372 -23.738 13.934 1.00 1.00 H new ATOM 0 HZ PHE A 104 -2.664 -25.128 15.538 1.00 1.00 H new ATOM 1556 N SER A 105 -2.676 -28.359 7.698 1.00 1.00 N ATOM 1557 CA SER A 105 -2.607 -28.540 6.237 1.00 1.00 C ATOM 1558 C SER A 105 -2.900 -27.268 5.421 1.00 1.00 C ATOM 1559 O SER A 105 -2.571 -27.214 4.234 1.00 1.00 O ATOM 1560 CB SER A 105 -3.595 -29.637 5.822 1.00 1.00 C ATOM 1561 OG SER A 105 -4.906 -29.320 6.267 1.00 1.00 O ATOM 0 H SER A 105 -3.540 -28.720 8.103 1.00 1.00 H new ATOM 0 HA SER A 105 -1.576 -28.814 6.014 1.00 1.00 H new ATOM 0 HB2 SER A 105 -3.590 -29.748 4.738 1.00 1.00 H new ATOM 0 HB3 SER A 105 -3.283 -30.593 6.242 1.00 1.00 H new ATOM 0 HG SER A 105 -5.525 -30.029 5.993 1.00 1.00 H new ATOM 1567 N SER A 106 -3.518 -26.248 6.028 1.00 1.00 N ATOM 1568 CA SER A 106 -3.903 -24.986 5.377 1.00 1.00 C ATOM 1569 C SER A 106 -4.115 -23.850 6.394 1.00 1.00 C ATOM 1570 O SER A 106 -4.588 -24.128 7.504 1.00 1.00 O ATOM 1571 CB SER A 106 -5.226 -25.229 4.630 1.00 1.00 C ATOM 1572 OG SER A 106 -5.826 -24.024 4.180 1.00 1.00 O ATOM 0 H SER A 106 -3.772 -26.277 7.015 1.00 1.00 H new ATOM 0 HA SER A 106 -3.101 -24.683 4.704 1.00 1.00 H new ATOM 0 HB2 SER A 106 -5.043 -25.881 3.776 1.00 1.00 H new ATOM 0 HB3 SER A 106 -5.920 -25.753 5.288 1.00 1.00 H new ATOM 0 HG SER A 106 -6.661 -24.230 3.711 1.00 1.00 H new ATOM 1578 N PRO A 107 -3.842 -22.572 6.041 1.00 1.00 N ATOM 1579 CA PRO A 107 -4.131 -21.415 6.895 1.00 1.00 C ATOM 1580 C PRO A 107 -5.577 -21.371 7.412 1.00 1.00 C ATOM 1581 O PRO A 107 -5.810 -20.895 8.522 1.00 1.00 O ATOM 1582 CB PRO A 107 -3.829 -20.179 6.040 1.00 1.00 C ATOM 1583 CG PRO A 107 -2.804 -20.687 5.031 1.00 1.00 C ATOM 1584 CD PRO A 107 -3.261 -22.121 4.783 1.00 1.00 C ATOM 0 HA PRO A 107 -3.518 -21.467 7.795 1.00 1.00 H new ATOM 0 HB2 PRO A 107 -4.725 -19.803 5.547 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -3.430 -19.362 6.642 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -2.810 -20.096 4.115 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -1.790 -20.648 5.429 1.00 1.00 H new ATOM 0 HD2 PRO A 107 -3.992 -22.165 3.976 1.00 1.00 H new ATOM 0 HD3 PRO A 107 -2.423 -22.754 4.489 1.00 1.00 H new ATOM 1592 N VAL A 108 -6.541 -21.898 6.643 1.00 1.00 N ATOM 1593 CA VAL A 108 -7.964 -21.978 7.031 1.00 1.00 C ATOM 1594 C VAL A 108 -8.149 -22.867 8.269 1.00 1.00 C ATOM 1595 O VAL A 108 -8.918 -22.534 9.173 1.00 1.00 O ATOM 1596 CB VAL A 108 -8.826 -22.494 5.858 1.00 1.00 C ATOM 1597 CG1 VAL A 108 -10.318 -22.538 6.212 1.00 1.00 C ATOM 1598 CG2 VAL A 108 -8.677 -21.598 4.619 1.00 1.00 C ATOM 0 H VAL A 108 -6.355 -22.288 5.719 1.00 1.00 H new ATOM 0 HA VAL A 108 -8.298 -20.972 7.284 1.00 1.00 H new ATOM 0 HB VAL A 108 -8.466 -23.502 5.650 1.00 1.00 H new ATOM 0 HG11 VAL A 108 -10.884 -22.907 5.357 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -10.471 -23.203 7.062 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -10.661 -21.536 6.469 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -9.296 -21.988 3.811 1.00 1.00 H new ATOM 0 HG22 VAL A 108 -8.995 -20.584 4.863 1.00 1.00 H new ATOM 0 HG23 VAL A 108 -7.634 -21.585 4.303 1.00 1.00 H new ATOM 1608 N VAL A 109 -7.404 -23.974 8.352 1.00 1.00 N ATOM 1609 CA VAL A 109 -7.407 -24.884 9.510 1.00 1.00 C ATOM 1610 C VAL A 109 -6.680 -24.224 10.687 1.00 1.00 C ATOM 1611 O VAL A 109 -7.155 -24.295 11.821 1.00 1.00 O ATOM 1612 CB VAL A 109 -6.758 -26.238 9.154 1.00 1.00 C ATOM 1613 CG1 VAL A 109 -6.776 -27.218 10.334 1.00 1.00 C ATOM 1614 CG2 VAL A 109 -7.487 -26.915 7.984 1.00 1.00 C ATOM 0 H VAL A 109 -6.772 -24.270 7.608 1.00 1.00 H new ATOM 0 HA VAL A 109 -8.440 -25.081 9.797 1.00 1.00 H new ATOM 0 HB VAL A 109 -5.727 -26.008 8.883 1.00 1.00 H new ATOM 0 HG11 VAL A 109 -6.309 -28.156 10.035 1.00 1.00 H new ATOM 0 HG12 VAL A 109 -6.226 -26.789 11.172 1.00 1.00 H new ATOM 0 HG13 VAL A 109 -7.807 -27.406 10.635 1.00 1.00 H new ATOM 0 HG21 VAL A 109 -7.006 -27.866 7.757 1.00 1.00 H new ATOM 0 HG22 VAL A 109 -8.528 -27.090 8.256 1.00 1.00 H new ATOM 0 HG23 VAL A 109 -7.445 -26.269 7.107 1.00 1.00 H new ATOM 1624 N ALA A 110 -5.558 -23.544 10.423 1.00 1.00 N ATOM 1625 CA ALA A 110 -4.784 -22.835 11.440 1.00 1.00 C ATOM 1626 C ALA A 110 -5.605 -21.733 12.138 1.00 1.00 C ATOM 1627 O ALA A 110 -5.683 -21.714 13.366 1.00 1.00 O ATOM 1628 CB ALA A 110 -3.518 -22.268 10.790 1.00 1.00 C ATOM 0 H ALA A 110 -5.161 -23.472 9.486 1.00 1.00 H new ATOM 0 HA ALA A 110 -4.507 -23.540 12.224 1.00 1.00 H new ATOM 0 HB1 ALA A 110 -2.931 -21.736 11.539 1.00 1.00 H new ATOM 0 HB2 ALA A 110 -2.925 -23.084 10.376 1.00 1.00 H new ATOM 0 HB3 ALA A 110 -3.796 -21.580 9.991 1.00 1.00 H new ATOM 1634 N GLU A 111 -6.261 -20.840 11.384 1.00 1.00 N ATOM 1635 CA GLU A 111 -7.099 -19.783 11.970 1.00 1.00 C ATOM 1636 C GLU A 111 -8.289 -20.357 12.751 1.00 1.00 C ATOM 1637 O GLU A 111 -8.583 -19.893 13.853 1.00 1.00 O ATOM 1638 CB GLU A 111 -7.532 -18.740 10.928 1.00 1.00 C ATOM 1639 CG GLU A 111 -8.559 -19.196 9.884 1.00 1.00 C ATOM 1640 CD GLU A 111 -8.871 -18.064 8.887 1.00 1.00 C ATOM 1641 OE1 GLU A 111 -9.708 -17.183 9.208 1.00 1.00 O ATOM 1642 OE2 GLU A 111 -8.294 -18.043 7.773 1.00 1.00 O ATOM 0 H GLU A 111 -6.228 -20.828 10.365 1.00 1.00 H new ATOM 0 HA GLU A 111 -6.478 -19.255 12.694 1.00 1.00 H new ATOM 0 HB2 GLU A 111 -7.943 -17.880 11.457 1.00 1.00 H new ATOM 0 HB3 GLU A 111 -6.642 -18.395 10.402 1.00 1.00 H new ATOM 0 HG2 GLU A 111 -8.176 -20.064 9.347 1.00 1.00 H new ATOM 0 HG3 GLU A 111 -9.476 -19.509 10.383 1.00 1.00 H new ATOM 1649 N SER A 112 -8.923 -21.406 12.214 1.00 1.00 N ATOM 1650 CA SER A 112 -10.028 -22.120 12.877 1.00 1.00 C ATOM 1651 C SER A 112 -9.584 -22.712 14.221 1.00 1.00 C ATOM 1652 O SER A 112 -10.337 -22.667 15.196 1.00 1.00 O ATOM 1653 CB SER A 112 -10.591 -23.238 11.990 1.00 1.00 C ATOM 1654 OG SER A 112 -11.148 -22.714 10.797 1.00 1.00 O ATOM 0 H SER A 112 -8.684 -21.789 11.299 1.00 1.00 H new ATOM 0 HA SER A 112 -10.813 -21.385 13.055 1.00 1.00 H new ATOM 0 HB2 SER A 112 -9.799 -23.945 11.745 1.00 1.00 H new ATOM 0 HB3 SER A 112 -11.354 -23.791 12.538 1.00 1.00 H new ATOM 0 HG SER A 112 -10.441 -22.600 10.128 1.00 1.00 H new ATOM 1660 N HIS A 113 -8.349 -23.222 14.303 1.00 1.00 N ATOM 1661 CA HIS A 113 -7.768 -23.719 15.547 1.00 1.00 C ATOM 1662 C HIS A 113 -7.505 -22.563 16.533 1.00 1.00 C ATOM 1663 O HIS A 113 -7.930 -22.652 17.685 1.00 1.00 O ATOM 1664 CB HIS A 113 -6.484 -24.515 15.248 1.00 1.00 C ATOM 1665 CG HIS A 113 -5.653 -24.748 16.483 1.00 1.00 C ATOM 1666 ND1 HIS A 113 -5.894 -25.668 17.479 1.00 1.00 N ATOM 1667 CD2 HIS A 113 -4.621 -23.955 16.907 1.00 1.00 C ATOM 1668 CE1 HIS A 113 -5.033 -25.424 18.483 1.00 1.00 C ATOM 1669 NE2 HIS A 113 -4.231 -24.391 18.175 1.00 1.00 N ATOM 0 H HIS A 113 -7.724 -23.300 13.500 1.00 1.00 H new ATOM 0 HA HIS A 113 -8.480 -24.392 16.025 1.00 1.00 H new ATOM 0 HB2 HIS A 113 -6.750 -25.475 14.805 1.00 1.00 H new ATOM 0 HB3 HIS A 113 -5.890 -23.977 14.509 1.00 1.00 H new ATOM 0 HD1 HIS A 113 -6.600 -26.404 17.459 1.00 1.00 H new ATOM 0 HD2 HIS A 113 -4.184 -23.135 16.357 1.00 1.00 H new ATOM 0 HE1 HIS A 113 -4.992 -25.981 19.408 1.00 1.00 H new ATOM 1677 N TYR A 114 -6.845 -21.475 16.101 1.00 1.00 N ATOM 1678 CA TYR A 114 -6.524 -20.323 16.961 1.00 1.00 C ATOM 1679 C TYR A 114 -7.754 -19.709 17.661 1.00 1.00 C ATOM 1680 O TYR A 114 -7.646 -19.274 18.810 1.00 1.00 O ATOM 1681 CB TYR A 114 -5.781 -19.225 16.174 1.00 1.00 C ATOM 1682 CG TYR A 114 -4.474 -19.596 15.481 1.00 1.00 C ATOM 1683 CD1 TYR A 114 -3.547 -20.480 16.074 1.00 1.00 C ATOM 1684 CD2 TYR A 114 -4.161 -19.000 14.241 1.00 1.00 C ATOM 1685 CE1 TYR A 114 -2.353 -20.814 15.401 1.00 1.00 C ATOM 1686 CE2 TYR A 114 -2.975 -19.336 13.562 1.00 1.00 C ATOM 1687 CZ TYR A 114 -2.073 -20.258 14.134 1.00 1.00 C ATOM 1688 OH TYR A 114 -0.935 -20.582 13.460 1.00 1.00 O ATOM 0 H TYR A 114 -6.518 -21.369 15.141 1.00 1.00 H new ATOM 0 HA TYR A 114 -5.875 -20.722 17.740 1.00 1.00 H new ATOM 0 HB2 TYR A 114 -6.462 -18.840 15.416 1.00 1.00 H new ATOM 0 HB3 TYR A 114 -5.573 -18.405 16.862 1.00 1.00 H new ATOM 0 HD1 TYR A 114 -3.753 -20.902 17.047 1.00 1.00 H new ATOM 0 HD2 TYR A 114 -4.838 -18.279 13.809 1.00 1.00 H new ATOM 0 HE1 TYR A 114 -1.651 -21.497 15.856 1.00 1.00 H new ATOM 0 HE2 TYR A 114 -2.755 -18.889 12.604 1.00 1.00 H new ATOM 0 HH TYR A 114 -0.936 -20.141 12.585 1.00 1.00 H new ATOM 1698 N ILE A 115 -8.922 -19.679 17.001 1.00 1.00 N ATOM 1699 CA ILE A 115 -10.174 -19.142 17.577 1.00 1.00 C ATOM 1700 C ILE A 115 -10.980 -20.175 18.388 1.00 1.00 C ATOM 1701 O ILE A 115 -11.981 -19.816 19.013 1.00 1.00 O ATOM 1702 CB ILE A 115 -11.046 -18.433 16.507 1.00 1.00 C ATOM 1703 CG1 ILE A 115 -11.601 -19.320 15.368 1.00 1.00 C ATOM 1704 CG2 ILE A 115 -10.244 -17.271 15.890 1.00 1.00 C ATOM 1705 CD1 ILE A 115 -12.793 -20.209 15.741 1.00 1.00 C ATOM 0 H ILE A 115 -9.030 -20.027 16.048 1.00 1.00 H new ATOM 0 HA ILE A 115 -9.862 -18.388 18.300 1.00 1.00 H new ATOM 0 HB ILE A 115 -11.928 -18.096 17.052 1.00 1.00 H new ATOM 0 HG12 ILE A 115 -11.897 -18.675 14.541 1.00 1.00 H new ATOM 0 HG13 ILE A 115 -10.796 -19.957 15.003 1.00 1.00 H new ATOM 0 HG21 ILE A 115 -10.852 -16.769 15.137 1.00 1.00 H new ATOM 0 HG22 ILE A 115 -9.974 -16.560 16.671 1.00 1.00 H new ATOM 0 HG23 ILE A 115 -9.339 -17.661 15.425 1.00 1.00 H new ATOM 0 HD11 ILE A 115 -13.102 -20.788 14.870 1.00 1.00 H new ATOM 0 HD12 ILE A 115 -12.504 -20.887 16.544 1.00 1.00 H new ATOM 0 HD13 ILE A 115 -13.622 -19.585 16.074 1.00 1.00 H new ATOM 1717 N GLY A 116 -10.561 -21.446 18.401 1.00 1.00 N ATOM 1718 CA GLY A 116 -11.232 -22.537 19.117 1.00 1.00 C ATOM 1719 C GLY A 116 -10.729 -22.732 20.551 1.00 1.00 C ATOM 1720 O GLY A 116 -9.619 -22.324 20.911 1.00 1.00 O ATOM 0 H GLY A 116 -9.726 -21.751 17.902 1.00 1.00 H new ATOM 0 HA2 GLY A 116 -12.304 -22.339 19.141 1.00 1.00 H new ATOM 0 HA3 GLY A 116 -11.091 -23.465 18.562 1.00 1.00 H new ATOM 1724 N LYS A 117 -11.543 -23.384 21.392 1.00 1.00 N ATOM 1725 CA LYS A 117 -11.208 -23.635 22.808 1.00 1.00 C ATOM 1726 C LYS A 117 -9.961 -24.502 23.014 1.00 1.00 C ATOM 1727 O LYS A 117 -9.303 -24.361 24.041 1.00 1.00 O ATOM 1728 CB LYS A 117 -12.415 -24.188 23.585 1.00 1.00 C ATOM 1729 CG LYS A 117 -13.556 -23.161 23.655 1.00 1.00 C ATOM 1730 CD LYS A 117 -14.584 -23.551 24.723 1.00 1.00 C ATOM 1731 CE LYS A 117 -15.759 -22.565 24.713 1.00 1.00 C ATOM 1732 NZ LYS A 117 -16.778 -22.919 25.736 1.00 1.00 N ATOM 0 H LYS A 117 -12.452 -23.754 21.114 1.00 1.00 H new ATOM 0 HA LYS A 117 -10.952 -22.659 23.221 1.00 1.00 H new ATOM 0 HB2 LYS A 117 -12.772 -25.099 23.105 1.00 1.00 H new ATOM 0 HB3 LYS A 117 -12.106 -24.460 24.594 1.00 1.00 H new ATOM 0 HG2 LYS A 117 -13.149 -22.175 23.880 1.00 1.00 H new ATOM 0 HG3 LYS A 117 -14.045 -23.089 22.684 1.00 1.00 H new ATOM 0 HD2 LYS A 117 -14.947 -24.562 24.537 1.00 1.00 H new ATOM 0 HD3 LYS A 117 -14.113 -23.557 25.706 1.00 1.00 H new ATOM 0 HE2 LYS A 117 -15.390 -21.556 24.900 1.00 1.00 H new ATOM 0 HE3 LYS A 117 -16.221 -22.558 23.726 1.00 1.00 H new ATOM 0 HZ1 LYS A 117 -17.558 -22.232 25.701 1.00 1.00 H new ATOM 0 HZ2 LYS A 117 -17.147 -23.872 25.543 1.00 1.00 H new ATOM 0 HZ3 LYS A 117 -16.343 -22.901 26.680 1.00 1.00 H new ATOM 1746 N THR A 118 -9.589 -25.346 22.047 1.00 1.00 N ATOM 1747 CA THR A 118 -8.360 -26.168 22.099 1.00 1.00 C ATOM 1748 C THR A 118 -7.115 -25.285 22.252 1.00 1.00 C ATOM 1749 O THR A 118 -6.223 -25.588 23.047 1.00 1.00 O ATOM 1750 CB THR A 118 -8.225 -27.028 20.829 1.00 1.00 C ATOM 1751 OG1 THR A 118 -9.439 -27.694 20.548 1.00 1.00 O ATOM 1752 CG2 THR A 118 -7.129 -28.088 20.936 1.00 1.00 C ATOM 0 H THR A 118 -10.132 -25.485 21.195 1.00 1.00 H new ATOM 0 HA THR A 118 -8.438 -26.822 22.967 1.00 1.00 H new ATOM 0 HB THR A 118 -7.962 -26.333 20.032 1.00 1.00 H new ATOM 0 HG1 THR A 118 -9.336 -28.234 19.737 1.00 1.00 H new ATOM 0 HG21 THR A 118 -7.085 -28.660 20.009 1.00 1.00 H new ATOM 0 HG22 THR A 118 -6.169 -27.602 21.109 1.00 1.00 H new ATOM 0 HG23 THR A 118 -7.351 -28.759 21.766 1.00 1.00 H new ATOM 1760 N HIS A 119 -7.070 -24.155 21.536 1.00 1.00 N ATOM 1761 CA HIS A 119 -5.985 -23.177 21.645 1.00 1.00 C ATOM 1762 C HIS A 119 -6.039 -22.448 22.992 1.00 1.00 C ATOM 1763 O HIS A 119 -5.031 -22.344 23.683 1.00 1.00 O ATOM 1764 CB HIS A 119 -6.079 -22.192 20.473 1.00 1.00 C ATOM 1765 CG HIS A 119 -4.882 -21.286 20.367 1.00 1.00 C ATOM 1766 ND1 HIS A 119 -3.599 -21.699 20.005 1.00 1.00 N ATOM 1767 CD2 HIS A 119 -4.877 -19.935 20.559 1.00 1.00 C ATOM 1768 CE1 HIS A 119 -2.847 -20.586 19.985 1.00 1.00 C ATOM 1769 NE2 HIS A 119 -3.589 -19.513 20.310 1.00 1.00 N ATOM 0 H HIS A 119 -7.790 -23.894 20.862 1.00 1.00 H new ATOM 0 HA HIS A 119 -5.026 -23.693 21.599 1.00 1.00 H new ATOM 0 HB2 HIS A 119 -6.188 -22.751 19.544 1.00 1.00 H new ATOM 0 HB3 HIS A 119 -6.978 -21.586 20.587 1.00 1.00 H new ATOM 0 HD2 HIS A 119 -5.716 -19.319 20.848 1.00 1.00 H new ATOM 0 HE1 HIS A 119 -1.795 -20.557 19.742 1.00 1.00 H new ATOM 0 HE2 HIS A 119 -3.255 -18.551 20.363 1.00 1.00 H new ATOM 1777 N ILE A 120 -7.229 -21.993 23.402 1.00 1.00 N ATOM 1778 CA ILE A 120 -7.472 -21.275 24.668 1.00 1.00 C ATOM 1779 C ILE A 120 -7.086 -22.114 25.897 1.00 1.00 C ATOM 1780 O ILE A 120 -6.472 -21.589 26.829 1.00 1.00 O ATOM 1781 CB ILE A 120 -8.926 -20.752 24.701 1.00 1.00 C ATOM 1782 CG1 ILE A 120 -9.079 -19.694 23.578 1.00 1.00 C ATOM 1783 CG2 ILE A 120 -9.319 -20.175 26.073 1.00 1.00 C ATOM 1784 CD1 ILE A 120 -10.500 -19.142 23.407 1.00 1.00 C ATOM 0 H ILE A 120 -8.077 -22.116 22.849 1.00 1.00 H new ATOM 0 HA ILE A 120 -6.815 -20.407 24.715 1.00 1.00 H new ATOM 0 HB ILE A 120 -9.607 -21.586 24.532 1.00 1.00 H new ATOM 0 HG12 ILE A 120 -8.404 -18.864 23.785 1.00 1.00 H new ATOM 0 HG13 ILE A 120 -8.760 -20.137 22.634 1.00 1.00 H new ATOM 0 HG21 ILE A 120 -10.350 -19.823 26.038 1.00 1.00 H new ATOM 0 HG22 ILE A 120 -9.226 -20.950 26.834 1.00 1.00 H new ATOM 0 HG23 ILE A 120 -8.660 -19.343 26.320 1.00 1.00 H new ATOM 0 HD11 ILE A 120 -10.511 -18.409 22.600 1.00 1.00 H new ATOM 0 HD12 ILE A 120 -11.181 -19.958 23.165 1.00 1.00 H new ATOM 0 HD13 ILE A 120 -10.819 -18.666 24.334 1.00 1.00 H new ATOM 1796 N LYS A 121 -7.359 -23.425 25.893 1.00 1.00 N ATOM 1797 CA LYS A 121 -6.936 -24.355 26.957 1.00 1.00 C ATOM 1798 C LYS A 121 -5.410 -24.335 27.121 1.00 1.00 C ATOM 1799 O LYS A 121 -4.900 -24.315 28.240 1.00 1.00 O ATOM 1800 CB LYS A 121 -7.472 -25.760 26.627 1.00 1.00 C ATOM 1801 CG LYS A 121 -7.215 -26.771 27.756 1.00 1.00 C ATOM 1802 CD LYS A 121 -7.825 -28.136 27.416 1.00 1.00 C ATOM 1803 CE LYS A 121 -7.695 -29.151 28.562 1.00 1.00 C ATOM 1804 NZ LYS A 121 -6.289 -29.579 28.795 1.00 1.00 N ATOM 0 H LYS A 121 -7.885 -23.878 25.145 1.00 1.00 H new ATOM 0 HA LYS A 121 -7.351 -24.044 27.915 1.00 1.00 H new ATOM 0 HB2 LYS A 121 -8.543 -25.700 26.435 1.00 1.00 H new ATOM 0 HB3 LYS A 121 -7.003 -26.118 25.710 1.00 1.00 H new ATOM 0 HG2 LYS A 121 -6.142 -26.877 27.917 1.00 1.00 H new ATOM 0 HG3 LYS A 121 -7.642 -26.399 28.687 1.00 1.00 H new ATOM 0 HD2 LYS A 121 -8.879 -28.006 27.170 1.00 1.00 H new ATOM 0 HD3 LYS A 121 -7.337 -28.535 26.527 1.00 1.00 H new ATOM 0 HE2 LYS A 121 -8.093 -28.712 29.477 1.00 1.00 H new ATOM 0 HE3 LYS A 121 -8.304 -30.026 28.337 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 -6.260 -30.263 29.578 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 -5.914 -30.023 27.933 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 -5.709 -28.750 29.037 1.00 1.00 H new ATOM 1818 N ASN A 122 -4.682 -24.269 26.004 1.00 1.00 N ATOM 1819 CA ASN A 122 -3.224 -24.156 25.990 1.00 1.00 C ATOM 1820 C ASN A 122 -2.744 -22.742 26.383 1.00 1.00 C ATOM 1821 O ASN A 122 -1.701 -22.638 27.027 1.00 1.00 O ATOM 1822 CB ASN A 122 -2.684 -24.626 24.634 1.00 1.00 C ATOM 1823 CG ASN A 122 -2.709 -26.142 24.517 1.00 1.00 C ATOM 1824 OD1 ASN A 122 -1.793 -26.832 24.939 1.00 1.00 O ATOM 1825 ND2 ASN A 122 -3.754 -26.726 23.973 1.00 1.00 N ATOM 0 H ASN A 122 -5.095 -24.293 25.072 1.00 1.00 H new ATOM 0 HA ASN A 122 -2.812 -24.813 26.756 1.00 1.00 H new ATOM 0 HB2 ASN A 122 -3.280 -24.189 23.833 1.00 1.00 H new ATOM 0 HB3 ASN A 122 -1.663 -24.267 24.504 1.00 1.00 H new ATOM 0 HD21 ASN A 122 -3.793 -27.743 23.907 1.00 1.00 H new ATOM 0 HD22 ASN A 122 -4.526 -26.162 23.617 1.00 1.00 H new