USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=29 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 131:sc= -0.115 USER MOD Set 1.2: A 100 CYS SG : rot 156:sc= 0.236 USER MOD Set 1.3: A 102 MET CE :methyl 163:sc= -0.0409 (180deg=-0.278) USER MOD Set 1.4: A 113 HIS : no HE2:sc= 0.189 K(o=0.27,f=-0.52) USER MOD Set 1.5: A 119 HIS : no HE2:sc=0.000383 X(o=0.27,f=-0.026) USER MOD Set 2.1: A 36 CYS SG : rot -135:sc= 0.14 USER MOD Set 2.2: A 39 CYS SG : rot 132:sc= 0.316 USER MOD Set 2.3: A 52 HIS : no HE2:sc= -0.455 K(o=-0.097,f=-0.82) USER MOD Set 2.4: A 58 HIS : no HD1:sc= -0.0976 X(o=-0.097,f=-0.59) USER MOD Set 3.1: A 35 GLN : amide:sc= 0.933 K(o=2,f=-3.2) USER MOD Set 3.2: A 37 LYS NZ :NH3+ -167:sc= 1.08 (180deg=0) USER MOD Set 4.1: A 27 ASN : amide:sc= 0.785 K(o=1.1,f=0.15) USER MOD Set 4.2: A 29 HIS : no HD1:sc= 0.331 K(o=1.1,f=-1.6!) USER MOD Single : A 17 LYS NZ :NH3+ 168:sc= 1.16 (180deg=0.973) USER MOD Single : A 21 ASN : amide:sc= 0.368 K(o=0.37,f=-1.9!) USER MOD Single : A 22 SER OG : rot 81:sc=0.000466 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -46:sc= 0.942 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 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=-0.00884 K(o=-0.0088,f=-2.3!) USER MOD Single : A 49 LYS NZ :NH3+ -138:sc= 2.55 (180deg=0.989) USER MOD Single : A 53 TYR OH : rot -163:sc= 1.02 USER MOD Single : A 54 GLN : amide:sc= 0.885 K(o=0.88,f=-0.34) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0112) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 28:sc= 0.157 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 CYS SG : rot 24:sc= -0.0461 USER MOD Single : A 101 ASN : amide:sc=-0.00208 K(o=-0.0021,f=-0.67) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0.00466 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 85:sc= 1.12 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= 0.00309 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= 0.00628 X(o=0.0063,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 188 N GLY A 16 -17.781 8.318 15.668 1.00 1.00 N ATOM 189 CA GLY A 16 -17.639 7.738 17.007 1.00 1.00 C ATOM 190 C GLY A 16 -16.753 6.487 17.089 1.00 1.00 C ATOM 191 O GLY A 16 -16.323 5.914 16.082 1.00 1.00 O ATOM 0 HA2 GLY A 16 -17.229 8.498 17.673 1.00 1.00 H new ATOM 0 HA3 GLY A 16 -18.631 7.486 17.383 1.00 1.00 H new ATOM 195 N LYS A 17 -16.491 6.062 18.331 1.00 1.00 N ATOM 196 CA LYS A 17 -15.646 4.910 18.691 1.00 1.00 C ATOM 197 C LYS A 17 -16.086 3.598 18.032 1.00 1.00 C ATOM 198 O LYS A 17 -15.243 2.848 17.543 1.00 1.00 O ATOM 199 CB LYS A 17 -15.637 4.807 20.232 1.00 1.00 C ATOM 200 CG LYS A 17 -14.826 3.650 20.838 1.00 1.00 C ATOM 201 CD LYS A 17 -13.328 3.727 20.515 1.00 1.00 C ATOM 202 CE LYS A 17 -12.531 2.574 21.134 1.00 1.00 C ATOM 203 NZ LYS A 17 -12.438 2.655 22.616 1.00 1.00 N ATOM 0 H LYS A 17 -16.878 6.530 19.151 1.00 1.00 H new ATOM 0 HA LYS A 17 -14.638 5.076 18.310 1.00 1.00 H new ATOM 0 HB2 LYS A 17 -15.249 5.743 20.634 1.00 1.00 H new ATOM 0 HB3 LYS A 17 -16.668 4.716 20.574 1.00 1.00 H new ATOM 0 HG2 LYS A 17 -14.958 3.650 21.920 1.00 1.00 H new ATOM 0 HG3 LYS A 17 -15.223 2.704 20.468 1.00 1.00 H new ATOM 0 HD2 LYS A 17 -13.193 3.718 19.433 1.00 1.00 H new ATOM 0 HD3 LYS A 17 -12.930 4.675 20.878 1.00 1.00 H new ATOM 0 HE2 LYS A 17 -12.997 1.629 20.857 1.00 1.00 H new ATOM 0 HE3 LYS A 17 -11.526 2.569 20.713 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 -12.070 1.757 22.990 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 -11.797 3.429 22.882 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 -13.382 2.835 23.014 1.00 1.00 H new ATOM 217 N ASP A 18 -17.391 3.330 17.997 1.00 1.00 N ATOM 218 CA ASP A 18 -17.955 2.112 17.401 1.00 1.00 C ATOM 219 C ASP A 18 -17.659 2.005 15.896 1.00 1.00 C ATOM 220 O ASP A 18 -17.164 0.971 15.441 1.00 1.00 O ATOM 221 CB ASP A 18 -19.470 2.061 17.652 1.00 1.00 C ATOM 222 CG ASP A 18 -19.801 1.903 19.144 1.00 1.00 C ATOM 223 OD1 ASP A 18 -19.709 0.766 19.668 1.00 1.00 O ATOM 224 OD2 ASP A 18 -20.156 2.915 19.795 1.00 1.00 O ATOM 0 H ASP A 18 -18.096 3.957 18.385 1.00 1.00 H new ATOM 0 HA ASP A 18 -17.475 1.260 17.882 1.00 1.00 H new ATOM 0 HB2 ASP A 18 -19.931 2.973 17.273 1.00 1.00 H new ATOM 0 HB3 ASP A 18 -19.902 1.230 17.095 1.00 1.00 H new ATOM 229 N ALA A 19 -17.910 3.072 15.126 1.00 1.00 N ATOM 230 CA ALA A 19 -17.643 3.096 13.687 1.00 1.00 C ATOM 231 C ALA A 19 -16.149 2.921 13.378 1.00 1.00 C ATOM 232 O ALA A 19 -15.791 2.138 12.496 1.00 1.00 O ATOM 233 CB ALA A 19 -18.168 4.406 13.092 1.00 1.00 C ATOM 0 H ALA A 19 -18.304 3.941 15.486 1.00 1.00 H new ATOM 0 HA ALA A 19 -18.163 2.254 13.230 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -17.969 4.424 12.020 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -19.242 4.479 13.263 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -17.667 5.249 13.568 1.00 1.00 H new ATOM 239 N VAL A 20 -15.273 3.618 14.115 1.00 1.00 N ATOM 240 CA VAL A 20 -13.816 3.502 13.938 1.00 1.00 C ATOM 241 C VAL A 20 -13.337 2.083 14.262 1.00 1.00 C ATOM 242 O VAL A 20 -12.554 1.527 13.493 1.00 1.00 O ATOM 243 CB VAL A 20 -13.062 4.569 14.753 1.00 1.00 C ATOM 244 CG1 VAL A 20 -11.543 4.352 14.715 1.00 1.00 C ATOM 245 CG2 VAL A 20 -13.346 5.964 14.177 1.00 1.00 C ATOM 0 H VAL A 20 -15.550 4.274 14.846 1.00 1.00 H new ATOM 0 HA VAL A 20 -13.588 3.690 12.889 1.00 1.00 H new ATOM 0 HB VAL A 20 -13.411 4.487 15.782 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -11.050 5.127 15.302 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -11.305 3.373 15.132 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -11.194 4.402 13.684 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -12.809 6.714 14.758 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -13.014 6.004 13.139 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -14.416 6.166 14.224 1.00 1.00 H new ATOM 255 N ASN A 21 -13.824 1.451 15.339 1.00 1.00 N ATOM 256 CA ASN A 21 -13.453 0.071 15.648 1.00 1.00 C ATOM 257 C ASN A 21 -13.905 -0.883 14.529 1.00 1.00 C ATOM 258 O ASN A 21 -13.086 -1.661 14.045 1.00 1.00 O ATOM 259 CB ASN A 21 -14.047 -0.313 17.012 1.00 1.00 C ATOM 260 CG ASN A 21 -13.926 -1.804 17.287 1.00 1.00 C ATOM 261 OD1 ASN A 21 -12.850 -2.388 17.298 1.00 1.00 O ATOM 262 ND2 ASN A 21 -15.041 -2.468 17.475 1.00 1.00 N ATOM 0 H ASN A 21 -14.471 1.874 16.004 1.00 1.00 H new ATOM 0 HA ASN A 21 -12.368 -0.015 15.707 1.00 1.00 H new ATOM 0 HB2 ASN A 21 -13.537 0.243 17.799 1.00 1.00 H new ATOM 0 HB3 ASN A 21 -15.097 -0.022 17.045 1.00 1.00 H new ATOM 0 HD21 ASN A 21 -15.014 -3.476 17.631 1.00 1.00 H new ATOM 0 HD22 ASN A 21 -15.935 -1.977 17.465 1.00 1.00 H new ATOM 269 N SER A 22 -15.155 -0.796 14.057 1.00 1.00 N ATOM 270 CA SER A 22 -15.644 -1.638 12.951 1.00 1.00 C ATOM 271 C SER A 22 -14.801 -1.457 11.684 1.00 1.00 C ATOM 272 O SER A 22 -14.406 -2.441 11.058 1.00 1.00 O ATOM 273 CB SER A 22 -17.115 -1.341 12.644 1.00 1.00 C ATOM 274 OG SER A 22 -17.932 -1.742 13.733 1.00 1.00 O ATOM 0 H SER A 22 -15.852 -0.148 14.424 1.00 1.00 H new ATOM 0 HA SER A 22 -15.552 -2.674 13.276 1.00 1.00 H new ATOM 0 HB2 SER A 22 -17.247 -0.276 12.454 1.00 1.00 H new ATOM 0 HB3 SER A 22 -17.419 -1.867 11.739 1.00 1.00 H new ATOM 0 HG SER A 22 -17.912 -1.052 14.428 1.00 1.00 H new ATOM 280 N LEU A 23 -14.464 -0.209 11.334 1.00 1.00 N ATOM 281 CA LEU A 23 -13.616 0.124 10.188 1.00 1.00 C ATOM 282 C LEU A 23 -12.226 -0.529 10.294 1.00 1.00 C ATOM 283 O LEU A 23 -11.751 -1.094 9.307 1.00 1.00 O ATOM 284 CB LEU A 23 -13.552 1.660 10.086 1.00 1.00 C ATOM 285 CG LEU A 23 -12.803 2.222 8.867 1.00 1.00 C ATOM 286 CD1 LEU A 23 -13.472 1.834 7.547 1.00 1.00 C ATOM 287 CD2 LEU A 23 -12.804 3.747 8.955 1.00 1.00 C ATOM 0 H LEU A 23 -14.780 0.611 11.851 1.00 1.00 H new ATOM 0 HA LEU A 23 -14.043 -0.280 9.270 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -14.571 2.046 10.072 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -13.078 2.045 10.989 1.00 1.00 H new ATOM 0 HG LEU A 23 -11.794 1.809 8.880 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -12.907 2.254 6.715 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -13.497 0.748 7.457 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -14.490 2.223 7.527 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -12.276 4.161 8.096 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -13.832 4.111 8.959 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -12.305 4.059 9.873 1.00 1.00 H new ATOM 299 N ILE A 24 -11.601 -0.502 11.478 1.00 1.00 N ATOM 300 CA ILE A 24 -10.306 -1.154 11.736 1.00 1.00 C ATOM 301 C ILE A 24 -10.441 -2.685 11.641 1.00 1.00 C ATOM 302 O ILE A 24 -9.646 -3.320 10.947 1.00 1.00 O ATOM 303 CB ILE A 24 -9.732 -0.723 13.111 1.00 1.00 C ATOM 304 CG1 ILE A 24 -9.366 0.780 13.129 1.00 1.00 C ATOM 305 CG2 ILE A 24 -8.477 -1.544 13.468 1.00 1.00 C ATOM 306 CD1 ILE A 24 -9.181 1.333 14.551 1.00 1.00 C ATOM 0 H ILE A 24 -11.982 -0.023 12.294 1.00 1.00 H new ATOM 0 HA ILE A 24 -9.602 -0.831 10.969 1.00 1.00 H new ATOM 0 HB ILE A 24 -10.513 -0.908 13.849 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -8.447 0.932 12.563 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -10.149 1.346 12.624 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -8.095 -1.222 14.437 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -8.735 -2.602 13.514 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -7.712 -1.390 12.707 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -8.926 2.391 14.499 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -10.107 1.210 15.112 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -8.379 0.790 15.051 1.00 1.00 H new ATOM 318 N ARG A 25 -11.445 -3.287 12.301 1.00 1.00 N ATOM 319 CA ARG A 25 -11.689 -4.746 12.297 1.00 1.00 C ATOM 320 C ARG A 25 -11.908 -5.303 10.885 1.00 1.00 C ATOM 321 O ARG A 25 -11.350 -6.345 10.541 1.00 1.00 O ATOM 322 CB ARG A 25 -12.900 -5.097 13.185 1.00 1.00 C ATOM 323 CG ARG A 25 -12.761 -4.824 14.694 1.00 1.00 C ATOM 324 CD ARG A 25 -11.850 -5.783 15.472 1.00 1.00 C ATOM 325 NE ARG A 25 -10.411 -5.498 15.300 1.00 1.00 N ATOM 326 CZ ARG A 25 -9.714 -4.524 15.862 1.00 1.00 C ATOM 327 NH1 ARG A 25 -10.254 -3.573 16.573 1.00 1.00 N ATOM 328 NH2 ARG A 25 -8.420 -4.489 15.717 1.00 1.00 N ATOM 0 H ARG A 25 -12.122 -2.769 12.862 1.00 1.00 H new ATOM 0 HA ARG A 25 -10.790 -5.212 12.700 1.00 1.00 H new ATOM 0 HB2 ARG A 25 -13.762 -4.540 12.818 1.00 1.00 H new ATOM 0 HB3 ARG A 25 -13.123 -6.155 13.051 1.00 1.00 H new ATOM 0 HG2 ARG A 25 -12.384 -3.810 14.826 1.00 1.00 H new ATOM 0 HG3 ARG A 25 -13.754 -4.856 15.141 1.00 1.00 H new ATOM 0 HD2 ARG A 25 -12.099 -5.729 16.532 1.00 1.00 H new ATOM 0 HD3 ARG A 25 -12.051 -6.805 15.149 1.00 1.00 H new ATOM 0 HE ARG A 25 -9.897 -6.122 14.678 1.00 1.00 H new ATOM 0 HH11 ARG A 25 -11.263 -3.556 16.719 1.00 1.00 H new ATOM 0 HH12 ARG A 25 -9.667 -2.847 16.983 1.00 1.00 H new ATOM 0 HH21 ARG A 25 -7.948 -5.211 15.172 1.00 1.00 H new ATOM 0 HH22 ARG A 25 -7.879 -3.740 16.148 1.00 1.00 H new ATOM 342 N GLU A 26 -12.702 -4.616 10.064 1.00 1.00 N ATOM 343 CA GLU A 26 -13.009 -5.016 8.679 1.00 1.00 C ATOM 344 C GLU A 26 -11.857 -4.770 7.682 1.00 1.00 C ATOM 345 O GLU A 26 -11.886 -5.312 6.574 1.00 1.00 O ATOM 346 CB GLU A 26 -14.274 -4.285 8.195 1.00 1.00 C ATOM 347 CG GLU A 26 -15.545 -4.793 8.891 1.00 1.00 C ATOM 348 CD GLU A 26 -16.800 -4.094 8.329 1.00 1.00 C ATOM 349 OE1 GLU A 26 -17.363 -4.580 7.316 1.00 1.00 O ATOM 350 OE2 GLU A 26 -17.244 -3.068 8.897 1.00 1.00 O ATOM 0 H GLU A 26 -13.161 -3.749 10.342 1.00 1.00 H new ATOM 0 HA GLU A 26 -13.167 -6.094 8.704 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -14.165 -3.216 8.378 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -14.376 -4.415 7.118 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -15.633 -5.871 8.754 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -15.473 -4.613 9.964 1.00 1.00 H new ATOM 357 N ASN A 27 -10.847 -3.968 8.047 1.00 1.00 N ATOM 358 CA ASN A 27 -9.709 -3.605 7.188 1.00 1.00 C ATOM 359 C ASN A 27 -8.347 -3.774 7.896 1.00 1.00 C ATOM 360 O ASN A 27 -7.437 -2.955 7.737 1.00 1.00 O ATOM 361 CB ASN A 27 -9.921 -2.181 6.648 1.00 1.00 C ATOM 362 CG ASN A 27 -11.196 -2.017 5.846 1.00 1.00 C ATOM 363 OD1 ASN A 27 -11.251 -2.280 4.652 1.00 1.00 O ATOM 364 ND2 ASN A 27 -12.258 -1.571 6.477 1.00 1.00 N ATOM 0 H ASN A 27 -10.797 -3.542 8.972 1.00 1.00 H new ATOM 0 HA ASN A 27 -9.673 -4.298 6.348 1.00 1.00 H new ATOM 0 HB2 ASN A 27 -9.937 -1.483 7.485 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -9.071 -1.909 6.022 1.00 1.00 H new ATOM 0 HD21 ASN A 27 -13.135 -1.442 5.972 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -12.206 -1.354 7.472 1.00 1.00 H new ATOM 371 N SER A 28 -8.200 -4.842 8.687 1.00 1.00 N ATOM 372 CA SER A 28 -6.983 -5.172 9.453 1.00 1.00 C ATOM 373 C SER A 28 -5.691 -5.269 8.618 1.00 1.00 C ATOM 374 O SER A 28 -4.588 -5.183 9.163 1.00 1.00 O ATOM 375 CB SER A 28 -7.206 -6.469 10.237 1.00 1.00 C ATOM 376 OG SER A 28 -7.510 -7.544 9.357 1.00 1.00 O ATOM 0 H SER A 28 -8.946 -5.525 8.819 1.00 1.00 H new ATOM 0 HA SER A 28 -6.821 -4.331 10.127 1.00 1.00 H new ATOM 0 HB2 SER A 28 -6.314 -6.708 10.816 1.00 1.00 H new ATOM 0 HB3 SER A 28 -8.021 -6.334 10.949 1.00 1.00 H new ATOM 0 HG SER A 28 -7.647 -8.363 9.877 1.00 1.00 H new ATOM 382 N HIS A 29 -5.807 -5.416 7.294 1.00 1.00 N ATOM 383 CA HIS A 29 -4.699 -5.461 6.331 1.00 1.00 C ATOM 384 C HIS A 29 -4.090 -4.079 6.019 1.00 1.00 C ATOM 385 O HIS A 29 -2.988 -4.018 5.471 1.00 1.00 O ATOM 386 CB HIS A 29 -5.196 -6.136 5.041 1.00 1.00 C ATOM 387 CG HIS A 29 -6.294 -5.389 4.314 1.00 1.00 C ATOM 388 ND1 HIS A 29 -7.561 -5.088 4.830 1.00 1.00 N ATOM 389 CD2 HIS A 29 -6.222 -4.926 3.033 1.00 1.00 C ATOM 390 CE1 HIS A 29 -8.217 -4.445 3.847 1.00 1.00 C ATOM 391 NE2 HIS A 29 -7.435 -4.332 2.759 1.00 1.00 N ATOM 0 H HIS A 29 -6.717 -5.511 6.843 1.00 1.00 H new ATOM 0 HA HIS A 29 -3.893 -6.037 6.786 1.00 1.00 H new ATOM 0 HB2 HIS A 29 -4.351 -6.260 4.364 1.00 1.00 H new ATOM 0 HB3 HIS A 29 -5.557 -7.135 5.286 1.00 1.00 H new ATOM 0 HD2 HIS A 29 -5.378 -5.009 2.364 1.00 1.00 H new ATOM 0 HE1 HIS A 29 -9.228 -4.073 3.921 1.00 1.00 H new ATOM 0 HE2 HIS A 29 -7.695 -3.883 1.881 1.00 1.00 H new ATOM 399 N ILE A 30 -4.778 -2.980 6.364 1.00 1.00 N ATOM 400 CA ILE A 30 -4.340 -1.589 6.119 1.00 1.00 C ATOM 401 C ILE A 30 -4.507 -0.640 7.317 1.00 1.00 C ATOM 402 O ILE A 30 -3.794 0.363 7.390 1.00 1.00 O ATOM 403 CB ILE A 30 -5.040 -0.985 4.876 1.00 1.00 C ATOM 404 CG1 ILE A 30 -6.579 -1.124 4.933 1.00 1.00 C ATOM 405 CG2 ILE A 30 -4.450 -1.583 3.589 1.00 1.00 C ATOM 406 CD1 ILE A 30 -7.325 -0.423 3.791 1.00 1.00 C ATOM 0 H ILE A 30 -5.681 -3.031 6.835 1.00 1.00 H new ATOM 0 HA ILE A 30 -3.268 -1.672 5.941 1.00 1.00 H new ATOM 0 HB ILE A 30 -4.843 0.087 4.874 1.00 1.00 H new ATOM 0 HG12 ILE A 30 -6.836 -2.183 4.921 1.00 1.00 H new ATOM 0 HG13 ILE A 30 -6.932 -0.721 5.882 1.00 1.00 H new ATOM 0 HG21 ILE A 30 -4.951 -1.150 2.723 1.00 1.00 H new ATOM 0 HG22 ILE A 30 -3.384 -1.361 3.540 1.00 1.00 H new ATOM 0 HG23 ILE A 30 -4.596 -2.663 3.590 1.00 1.00 H new ATOM 0 HD11 ILE A 30 -8.398 -0.573 3.911 1.00 1.00 H new ATOM 0 HD12 ILE A 30 -7.103 0.644 3.812 1.00 1.00 H new ATOM 0 HD13 ILE A 30 -7.005 -0.841 2.837 1.00 1.00 H new ATOM 418 N PHE A 31 -5.394 -0.944 8.266 1.00 1.00 N ATOM 419 CA PHE A 31 -5.639 -0.152 9.478 1.00 1.00 C ATOM 420 C PHE A 31 -5.406 -1.018 10.723 1.00 1.00 C ATOM 421 O PHE A 31 -5.589 -2.237 10.693 1.00 1.00 O ATOM 422 CB PHE A 31 -7.090 0.369 9.500 1.00 1.00 C ATOM 423 CG PHE A 31 -7.636 1.068 8.264 1.00 1.00 C ATOM 424 CD1 PHE A 31 -6.814 1.807 7.388 1.00 1.00 C ATOM 425 CD2 PHE A 31 -9.011 0.956 7.986 1.00 1.00 C ATOM 426 CE1 PHE A 31 -7.348 2.339 6.201 1.00 1.00 C ATOM 427 CE2 PHE A 31 -9.547 1.489 6.803 1.00 1.00 C ATOM 428 CZ PHE A 31 -8.710 2.160 5.899 1.00 1.00 C ATOM 0 H PHE A 31 -5.982 -1.775 8.213 1.00 1.00 H new ATOM 0 HA PHE A 31 -4.952 0.694 9.478 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -7.742 -0.478 9.715 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.180 1.061 10.337 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -5.773 1.964 7.629 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -9.660 0.455 8.689 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -6.712 2.886 5.521 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -10.600 1.383 6.590 1.00 1.00 H new ATOM 0 HZ PHE A 31 -9.112 2.539 4.971 1.00 1.00 H new ATOM 438 N SER A 32 -5.025 -0.393 11.835 1.00 1.00 N ATOM 439 CA SER A 32 -4.788 -1.068 13.117 1.00 1.00 C ATOM 440 C SER A 32 -4.990 -0.127 14.310 1.00 1.00 C ATOM 441 O SER A 32 -5.157 1.086 14.157 1.00 1.00 O ATOM 442 CB SER A 32 -3.379 -1.678 13.144 1.00 1.00 C ATOM 443 OG SER A 32 -2.394 -0.668 13.221 1.00 1.00 O ATOM 0 H SER A 32 -4.869 0.614 11.875 1.00 1.00 H new ATOM 0 HA SER A 32 -5.525 -1.866 13.208 1.00 1.00 H new ATOM 0 HB2 SER A 32 -3.285 -2.349 13.998 1.00 1.00 H new ATOM 0 HB3 SER A 32 -3.221 -2.278 12.248 1.00 1.00 H new ATOM 0 HG SER A 32 -2.599 0.039 12.573 1.00 1.00 H new ATOM 449 N ASP A 33 -4.954 -0.692 15.518 1.00 1.00 N ATOM 450 CA ASP A 33 -5.103 0.038 16.781 1.00 1.00 C ATOM 451 C ASP A 33 -4.030 1.125 17.014 1.00 1.00 C ATOM 452 O ASP A 33 -4.255 2.042 17.808 1.00 1.00 O ATOM 453 CB ASP A 33 -5.081 -0.995 17.917 1.00 1.00 C ATOM 454 CG ASP A 33 -5.446 -0.386 19.279 1.00 1.00 C ATOM 455 OD1 ASP A 33 -6.566 0.164 19.395 1.00 1.00 O ATOM 456 OD2 ASP A 33 -4.643 -0.497 20.235 1.00 1.00 O ATOM 0 H ASP A 33 -4.817 -1.694 15.650 1.00 1.00 H new ATOM 0 HA ASP A 33 -6.047 0.582 16.747 1.00 1.00 H new ATOM 0 HB2 ASP A 33 -5.779 -1.799 17.685 1.00 1.00 H new ATOM 0 HB3 ASP A 33 -4.088 -1.441 17.977 1.00 1.00 H new ATOM 461 N THR A 34 -2.872 1.034 16.341 1.00 1.00 N ATOM 462 CA THR A 34 -1.734 1.963 16.512 1.00 1.00 C ATOM 463 C THR A 34 -1.060 2.449 15.219 1.00 1.00 C ATOM 464 O THR A 34 -0.041 3.134 15.299 1.00 1.00 O ATOM 465 CB THR A 34 -0.668 1.366 17.457 1.00 1.00 C ATOM 466 OG1 THR A 34 -0.226 0.099 17.000 1.00 1.00 O ATOM 467 CG2 THR A 34 -1.182 1.176 18.884 1.00 1.00 C ATOM 0 H THR A 34 -2.693 0.304 15.652 1.00 1.00 H new ATOM 0 HA THR A 34 -2.190 2.850 16.950 1.00 1.00 H new ATOM 0 HB THR A 34 0.149 2.088 17.458 1.00 1.00 H new ATOM 0 HG1 THR A 34 0.449 -0.254 17.616 1.00 1.00 H new ATOM 0 HG21 THR A 34 -0.390 0.754 19.503 1.00 1.00 H new ATOM 0 HG22 THR A 34 -1.487 2.140 19.292 1.00 1.00 H new ATOM 0 HG23 THR A 34 -2.036 0.499 18.876 1.00 1.00 H new ATOM 475 N GLN A 35 -1.578 2.136 14.025 1.00 1.00 N ATOM 476 CA GLN A 35 -0.982 2.568 12.746 1.00 1.00 C ATOM 477 C GLN A 35 -1.961 2.481 11.560 1.00 1.00 C ATOM 478 O GLN A 35 -2.731 1.524 11.452 1.00 1.00 O ATOM 479 CB GLN A 35 0.241 1.661 12.457 1.00 1.00 C ATOM 480 CG GLN A 35 1.103 2.090 11.257 1.00 1.00 C ATOM 481 CD GLN A 35 2.179 1.053 10.944 1.00 1.00 C ATOM 482 OE1 GLN A 35 1.979 0.129 10.163 1.00 1.00 O ATOM 483 NE2 GLN A 35 3.352 1.148 11.533 1.00 1.00 N ATOM 0 H GLN A 35 -2.423 1.576 13.914 1.00 1.00 H new ATOM 0 HA GLN A 35 -0.701 3.616 12.847 1.00 1.00 H new ATOM 0 HB2 GLN A 35 0.871 1.633 13.346 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -0.113 0.644 12.285 1.00 1.00 H new ATOM 0 HG2 GLN A 35 0.467 2.232 10.383 1.00 1.00 H new ATOM 0 HG3 GLN A 35 1.572 3.051 11.469 1.00 1.00 H new ATOM 0 HE21 GLN A 35 3.535 1.911 12.185 1.00 1.00 H new ATOM 0 HE22 GLN A 35 4.078 0.459 11.337 1.00 1.00 H new ATOM 492 N CYS A 36 -1.853 3.425 10.619 1.00 1.00 N ATOM 493 CA CYS A 36 -2.589 3.441 9.348 1.00 1.00 C ATOM 494 C CYS A 36 -1.582 3.342 8.191 1.00 1.00 C ATOM 495 O CYS A 36 -0.767 4.248 7.995 1.00 1.00 O ATOM 496 CB CYS A 36 -3.417 4.724 9.214 1.00 1.00 C ATOM 497 SG CYS A 36 -4.326 4.805 7.646 1.00 1.00 S ATOM 0 H CYS A 36 -1.230 4.226 10.724 1.00 1.00 H new ATOM 0 HA CYS A 36 -3.274 2.594 9.320 1.00 1.00 H new ATOM 0 HB2 CYS A 36 -4.123 4.785 10.043 1.00 1.00 H new ATOM 0 HB3 CYS A 36 -2.757 5.588 9.293 1.00 1.00 H new ATOM 0 HG CYS A 36 -4.191 5.989 7.127 1.00 1.00 H new ATOM 502 N LYS A 37 -1.620 2.250 7.419 1.00 1.00 N ATOM 503 CA LYS A 37 -0.693 2.000 6.298 1.00 1.00 C ATOM 504 C LYS A 37 -1.026 2.801 5.036 1.00 1.00 C ATOM 505 O LYS A 37 -0.105 3.251 4.356 1.00 1.00 O ATOM 506 CB LYS A 37 -0.632 0.495 5.993 1.00 1.00 C ATOM 507 CG LYS A 37 -0.155 -0.304 7.217 1.00 1.00 C ATOM 508 CD LYS A 37 0.104 -1.766 6.838 1.00 1.00 C ATOM 509 CE LYS A 37 0.454 -2.639 8.053 1.00 1.00 C ATOM 510 NZ LYS A 37 1.759 -2.274 8.667 1.00 1.00 N ATOM 0 H LYS A 37 -2.302 1.503 7.553 1.00 1.00 H new ATOM 0 HA LYS A 37 0.289 2.349 6.618 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -1.618 0.143 5.688 1.00 1.00 H new ATOM 0 HB3 LYS A 37 0.043 0.319 5.155 1.00 1.00 H new ATOM 0 HG2 LYS A 37 0.756 0.141 7.616 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -0.906 -0.254 8.006 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -0.780 -2.172 6.346 1.00 1.00 H new ATOM 0 HD3 LYS A 37 0.919 -1.811 6.116 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -0.333 -2.545 8.801 1.00 1.00 H new ATOM 0 HE3 LYS A 37 0.481 -3.685 7.748 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 2.051 -3.019 9.331 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 2.477 -2.174 7.922 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 1.663 -1.373 9.178 1.00 1.00 H new ATOM 524 N VAL A 38 -2.310 3.045 4.745 1.00 1.00 N ATOM 525 CA VAL A 38 -2.752 3.874 3.593 1.00 1.00 C ATOM 526 C VAL A 38 -2.169 5.290 3.674 1.00 1.00 C ATOM 527 O VAL A 38 -1.750 5.853 2.662 1.00 1.00 O ATOM 528 CB VAL A 38 -4.294 3.914 3.500 1.00 1.00 C ATOM 529 CG1 VAL A 38 -4.846 5.052 2.633 1.00 1.00 C ATOM 530 CG2 VAL A 38 -4.805 2.598 2.905 1.00 1.00 C ATOM 0 H VAL A 38 -3.083 2.676 5.299 1.00 1.00 H new ATOM 0 HA VAL A 38 -2.372 3.410 2.683 1.00 1.00 H new ATOM 0 HB VAL A 38 -4.641 4.077 4.520 1.00 1.00 H new ATOM 0 HG11 VAL A 38 -5.935 5.006 2.622 1.00 1.00 H new ATOM 0 HG12 VAL A 38 -4.527 6.010 3.044 1.00 1.00 H new ATOM 0 HG13 VAL A 38 -4.469 4.950 1.615 1.00 1.00 H new ATOM 0 HG21 VAL A 38 -5.893 2.626 2.840 1.00 1.00 H new ATOM 0 HG22 VAL A 38 -4.385 2.462 1.908 1.00 1.00 H new ATOM 0 HG23 VAL A 38 -4.502 1.768 3.543 1.00 1.00 H new ATOM 540 N CYS A 39 -2.109 5.852 4.884 1.00 1.00 N ATOM 541 CA CYS A 39 -1.567 7.178 5.166 1.00 1.00 C ATOM 542 C CYS A 39 -0.131 7.121 5.734 1.00 1.00 C ATOM 543 O CYS A 39 0.422 8.156 6.107 1.00 1.00 O ATOM 544 CB CYS A 39 -2.555 7.850 6.118 1.00 1.00 C ATOM 545 SG CYS A 39 -4.244 7.937 5.453 1.00 1.00 S ATOM 0 H CYS A 39 -2.449 5.378 5.721 1.00 1.00 H new ATOM 0 HA CYS A 39 -1.465 7.759 4.249 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -2.570 7.303 7.061 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -2.207 8.859 6.340 1.00 1.00 H new ATOM 0 HG CYS A 39 -5.086 7.522 6.352 1.00 1.00 H new ATOM 550 N SER A 40 0.459 5.916 5.793 1.00 1.00 N ATOM 551 CA SER A 40 1.788 5.568 6.323 1.00 1.00 C ATOM 552 C SER A 40 2.176 6.390 7.563 1.00 1.00 C ATOM 553 O SER A 40 3.183 7.105 7.594 1.00 1.00 O ATOM 554 CB SER A 40 2.829 5.609 5.195 1.00 1.00 C ATOM 555 OG SER A 40 3.987 4.873 5.559 1.00 1.00 O ATOM 0 H SER A 40 -0.023 5.089 5.441 1.00 1.00 H new ATOM 0 HA SER A 40 1.752 4.543 6.693 1.00 1.00 H new ATOM 0 HB2 SER A 40 2.401 5.196 4.282 1.00 1.00 H new ATOM 0 HB3 SER A 40 3.101 6.643 4.980 1.00 1.00 H new ATOM 0 HG SER A 40 4.640 4.908 4.829 1.00 1.00 H new ATOM 561 N ALA A 41 1.317 6.318 8.584 1.00 1.00 N ATOM 562 CA ALA A 41 1.436 7.077 9.830 1.00 1.00 C ATOM 563 C ALA A 41 1.131 6.233 11.078 1.00 1.00 C ATOM 564 O ALA A 41 0.252 5.367 11.071 1.00 1.00 O ATOM 565 CB ALA A 41 0.491 8.285 9.744 1.00 1.00 C ATOM 0 H ALA A 41 0.496 5.712 8.565 1.00 1.00 H new ATOM 0 HA ALA A 41 2.471 7.402 9.940 1.00 1.00 H new ATOM 0 HB1 ALA A 41 0.561 8.868 10.662 1.00 1.00 H new ATOM 0 HB2 ALA A 41 0.774 8.909 8.896 1.00 1.00 H new ATOM 0 HB3 ALA A 41 -0.534 7.937 9.613 1.00 1.00 H new ATOM 571 N VAL A 42 1.847 6.522 12.169 1.00 1.00 N ATOM 572 CA VAL A 42 1.681 5.868 13.478 1.00 1.00 C ATOM 573 C VAL A 42 0.654 6.652 14.310 1.00 1.00 C ATOM 574 O VAL A 42 0.510 7.868 14.169 1.00 1.00 O ATOM 575 CB VAL A 42 3.035 5.744 14.217 1.00 1.00 C ATOM 576 CG1 VAL A 42 2.941 4.816 15.436 1.00 1.00 C ATOM 577 CG2 VAL A 42 4.130 5.156 13.312 1.00 1.00 C ATOM 0 H VAL A 42 2.577 7.234 12.170 1.00 1.00 H new ATOM 0 HA VAL A 42 1.311 4.854 13.327 1.00 1.00 H new ATOM 0 HB VAL A 42 3.286 6.760 14.522 1.00 1.00 H new ATOM 0 HG11 VAL A 42 3.913 4.758 15.925 1.00 1.00 H new ATOM 0 HG12 VAL A 42 2.205 5.210 16.137 1.00 1.00 H new ATOM 0 HG13 VAL A 42 2.637 3.820 15.113 1.00 1.00 H new ATOM 0 HG21 VAL A 42 5.064 5.086 13.869 1.00 1.00 H new ATOM 0 HG22 VAL A 42 3.831 4.162 12.978 1.00 1.00 H new ATOM 0 HG23 VAL A 42 4.272 5.802 12.446 1.00 1.00 H new ATOM 587 N LEU A 43 -0.078 5.940 15.164 1.00 1.00 N ATOM 588 CA LEU A 43 -1.186 6.416 15.998 1.00 1.00 C ATOM 589 C LEU A 43 -0.948 5.940 17.445 1.00 1.00 C ATOM 590 O LEU A 43 -1.596 5.014 17.931 1.00 1.00 O ATOM 591 CB LEU A 43 -2.504 5.885 15.378 1.00 1.00 C ATOM 592 CG LEU A 43 -2.739 6.268 13.900 1.00 1.00 C ATOM 593 CD1 LEU A 43 -3.883 5.452 13.299 1.00 1.00 C ATOM 594 CD2 LEU A 43 -3.052 7.753 13.743 1.00 1.00 C ATOM 0 H LEU A 43 0.098 4.945 15.303 1.00 1.00 H new ATOM 0 HA LEU A 43 -1.253 7.503 16.032 1.00 1.00 H new ATOM 0 HB2 LEU A 43 -2.513 4.798 15.460 1.00 1.00 H new ATOM 0 HB3 LEU A 43 -3.340 6.257 15.970 1.00 1.00 H new ATOM 0 HG LEU A 43 -1.814 6.047 13.368 1.00 1.00 H new ATOM 0 HD11 LEU A 43 -4.028 5.741 12.258 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -3.639 4.391 13.351 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -4.799 5.642 13.859 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -3.211 7.982 12.689 1.00 1.00 H new ATOM 0 HD22 LEU A 43 -3.952 7.997 14.307 1.00 1.00 H new ATOM 0 HD23 LEU A 43 -2.217 8.343 14.121 1.00 1.00 H new ATOM 606 N ILE A 44 0.038 6.537 18.126 1.00 1.00 N ATOM 607 CA ILE A 44 0.495 6.145 19.481 1.00 1.00 C ATOM 608 C ILE A 44 -0.517 6.365 20.629 1.00 1.00 C ATOM 609 O ILE A 44 -0.204 6.086 21.789 1.00 1.00 O ATOM 610 CB ILE A 44 1.875 6.765 19.819 1.00 1.00 C ATOM 611 CG1 ILE A 44 1.827 8.301 19.952 1.00 1.00 C ATOM 612 CG2 ILE A 44 2.931 6.325 18.788 1.00 1.00 C ATOM 613 CD1 ILE A 44 3.109 8.911 20.533 1.00 1.00 C ATOM 0 H ILE A 44 0.559 7.328 17.747 1.00 1.00 H new ATOM 0 HA ILE A 44 0.592 5.061 19.418 1.00 1.00 H new ATOM 0 HB ILE A 44 2.163 6.386 20.799 1.00 1.00 H new ATOM 0 HG12 ILE A 44 1.641 8.736 18.970 1.00 1.00 H new ATOM 0 HG13 ILE A 44 0.985 8.576 20.587 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.894 6.770 19.041 1.00 1.00 H new ATOM 0 HG22 ILE A 44 3.019 5.239 18.798 1.00 1.00 H new ATOM 0 HG23 ILE A 44 2.629 6.655 17.794 1.00 1.00 H new ATOM 0 HD11 ILE A 44 3.000 9.994 20.596 1.00 1.00 H new ATOM 0 HD12 ILE A 44 3.286 8.505 21.529 1.00 1.00 H new ATOM 0 HD13 ILE A 44 3.953 8.668 19.887 1.00 1.00 H new ATOM 625 N SER A 45 -1.728 6.843 20.333 1.00 1.00 N ATOM 626 CA SER A 45 -2.813 7.077 21.293 1.00 1.00 C ATOM 627 C SER A 45 -4.175 6.851 20.632 1.00 1.00 C ATOM 628 O SER A 45 -4.349 7.124 19.440 1.00 1.00 O ATOM 629 CB SER A 45 -2.719 8.514 21.821 1.00 1.00 C ATOM 630 OG SER A 45 -3.791 8.803 22.705 1.00 1.00 O ATOM 0 H SER A 45 -1.992 7.088 19.379 1.00 1.00 H new ATOM 0 HA SER A 45 -2.714 6.374 22.120 1.00 1.00 H new ATOM 0 HB2 SER A 45 -1.769 8.654 22.338 1.00 1.00 H new ATOM 0 HB3 SER A 45 -2.733 9.214 20.985 1.00 1.00 H new ATOM 0 HG SER A 45 -3.708 9.724 23.030 1.00 1.00 H new ATOM 636 N GLU A 46 -5.167 6.394 21.399 1.00 1.00 N ATOM 637 CA GLU A 46 -6.534 6.202 20.899 1.00 1.00 C ATOM 638 C GLU A 46 -7.139 7.516 20.381 1.00 1.00 C ATOM 639 O GLU A 46 -7.842 7.498 19.374 1.00 1.00 O ATOM 640 CB GLU A 46 -7.402 5.543 21.982 1.00 1.00 C ATOM 641 CG GLU A 46 -8.840 5.337 21.490 1.00 1.00 C ATOM 642 CD GLU A 46 -9.543 4.194 22.227 1.00 1.00 C ATOM 643 OE1 GLU A 46 -9.328 3.023 21.831 1.00 1.00 O ATOM 644 OE2 GLU A 46 -10.365 4.447 23.138 1.00 1.00 O ATOM 0 H GLU A 46 -5.048 6.147 22.381 1.00 1.00 H new ATOM 0 HA GLU A 46 -6.501 5.529 20.043 1.00 1.00 H new ATOM 0 HB2 GLU A 46 -6.970 4.583 22.264 1.00 1.00 H new ATOM 0 HB3 GLU A 46 -7.407 6.165 22.877 1.00 1.00 H new ATOM 0 HG2 GLU A 46 -9.405 6.259 21.628 1.00 1.00 H new ATOM 0 HG3 GLU A 46 -8.830 5.126 20.421 1.00 1.00 H new ATOM 651 N SER A 47 -6.830 8.666 20.992 1.00 1.00 N ATOM 652 CA SER A 47 -7.314 9.965 20.500 1.00 1.00 C ATOM 653 C SER A 47 -6.761 10.283 19.103 1.00 1.00 C ATOM 654 O SER A 47 -7.502 10.766 18.246 1.00 1.00 O ATOM 655 CB SER A 47 -6.967 11.100 21.466 1.00 1.00 C ATOM 656 OG SER A 47 -7.473 10.826 22.765 1.00 1.00 O ATOM 0 H SER A 47 -6.248 8.725 21.827 1.00 1.00 H new ATOM 0 HA SER A 47 -8.399 9.887 20.434 1.00 1.00 H new ATOM 0 HB2 SER A 47 -5.885 11.228 21.511 1.00 1.00 H new ATOM 0 HB3 SER A 47 -7.384 12.038 21.098 1.00 1.00 H new ATOM 0 HG SER A 47 -7.240 11.562 23.369 1.00 1.00 H new ATOM 662 N GLN A 48 -5.487 9.953 18.835 1.00 1.00 N ATOM 663 CA GLN A 48 -4.886 10.106 17.502 1.00 1.00 C ATOM 664 C GLN A 48 -5.575 9.176 16.501 1.00 1.00 C ATOM 665 O GLN A 48 -5.931 9.616 15.410 1.00 1.00 O ATOM 666 CB GLN A 48 -3.379 9.794 17.536 1.00 1.00 C ATOM 667 CG GLN A 48 -2.587 10.885 18.262 1.00 1.00 C ATOM 668 CD GLN A 48 -1.174 10.431 18.608 1.00 1.00 C ATOM 669 OE1 GLN A 48 -0.519 9.694 17.883 1.00 1.00 O ATOM 670 NE2 GLN A 48 -0.668 10.823 19.758 1.00 1.00 N ATOM 0 H GLN A 48 -4.848 9.574 19.534 1.00 1.00 H new ATOM 0 HA GLN A 48 -5.022 11.142 17.191 1.00 1.00 H new ATOM 0 HB2 GLN A 48 -3.217 8.837 18.032 1.00 1.00 H new ATOM 0 HB3 GLN A 48 -3.006 9.692 16.517 1.00 1.00 H new ATOM 0 HG2 GLN A 48 -2.538 11.775 17.635 1.00 1.00 H new ATOM 0 HG3 GLN A 48 -3.111 11.166 19.175 1.00 1.00 H new ATOM 0 HE21 GLN A 48 -1.206 11.437 20.369 1.00 1.00 H new ATOM 0 HE22 GLN A 48 0.262 10.513 20.038 1.00 1.00 H new ATOM 679 N LYS A 49 -5.809 7.909 16.875 1.00 1.00 N ATOM 680 CA LYS A 49 -6.498 6.925 16.023 1.00 1.00 C ATOM 681 C LYS A 49 -7.919 7.386 15.680 1.00 1.00 C ATOM 682 O LYS A 49 -8.301 7.400 14.511 1.00 1.00 O ATOM 683 CB LYS A 49 -6.389 5.516 16.670 1.00 1.00 C ATOM 684 CG LYS A 49 -7.698 4.834 17.110 1.00 1.00 C ATOM 685 CD LYS A 49 -7.449 3.524 17.872 1.00 1.00 C ATOM 686 CE LYS A 49 -8.800 2.966 18.332 1.00 1.00 C ATOM 687 NZ LYS A 49 -8.663 1.921 19.378 1.00 1.00 N ATOM 0 H LYS A 49 -5.525 7.536 17.781 1.00 1.00 H new ATOM 0 HA LYS A 49 -6.008 6.846 15.052 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -5.888 4.857 15.960 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -5.741 5.596 17.543 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -8.265 5.517 17.743 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -8.311 4.629 16.232 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -6.940 2.804 17.231 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -6.801 3.702 18.730 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -9.413 3.781 18.717 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -9.327 2.548 17.474 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -9.323 1.142 19.179 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -7.689 1.557 19.380 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -8.881 2.331 20.309 1.00 1.00 H new ATOM 701 N LEU A 50 -8.678 7.834 16.680 1.00 1.00 N ATOM 702 CA LEU A 50 -10.046 8.336 16.519 1.00 1.00 C ATOM 703 C LEU A 50 -10.105 9.574 15.617 1.00 1.00 C ATOM 704 O LEU A 50 -10.975 9.645 14.749 1.00 1.00 O ATOM 705 CB LEU A 50 -10.672 8.588 17.909 1.00 1.00 C ATOM 706 CG LEU A 50 -11.057 7.286 18.644 1.00 1.00 C ATOM 707 CD1 LEU A 50 -11.496 7.558 20.081 1.00 1.00 C ATOM 708 CD2 LEU A 50 -12.221 6.560 17.968 1.00 1.00 C ATOM 0 H LEU A 50 -8.353 7.859 17.647 1.00 1.00 H new ATOM 0 HA LEU A 50 -10.638 7.576 16.010 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -9.967 9.150 18.522 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -11.560 9.210 17.794 1.00 1.00 H new ATOM 0 HG LEU A 50 -10.158 6.671 18.618 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -11.759 6.618 20.565 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -10.680 8.032 20.627 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -12.363 8.219 20.078 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -12.454 5.651 18.522 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -13.096 7.210 17.953 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -11.944 6.301 16.946 1.00 1.00 H new ATOM 720 N ALA A 51 -9.190 10.532 15.773 1.00 1.00 N ATOM 721 CA ALA A 51 -9.146 11.713 14.912 1.00 1.00 C ATOM 722 C ALA A 51 -8.696 11.375 13.479 1.00 1.00 C ATOM 723 O ALA A 51 -9.280 11.873 12.515 1.00 1.00 O ATOM 724 CB ALA A 51 -8.228 12.756 15.562 1.00 1.00 C ATOM 0 H ALA A 51 -8.466 10.512 16.492 1.00 1.00 H new ATOM 0 HA ALA A 51 -10.153 12.119 14.816 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -8.184 13.645 14.932 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -8.620 13.025 16.543 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -7.227 12.340 15.674 1.00 1.00 H new ATOM 730 N HIS A 52 -7.681 10.518 13.324 1.00 1.00 N ATOM 731 CA HIS A 52 -7.155 10.121 12.018 1.00 1.00 C ATOM 732 C HIS A 52 -8.191 9.357 11.181 1.00 1.00 C ATOM 733 O HIS A 52 -8.446 9.737 10.040 1.00 1.00 O ATOM 734 CB HIS A 52 -5.882 9.286 12.220 1.00 1.00 C ATOM 735 CG HIS A 52 -5.166 8.974 10.931 1.00 1.00 C ATOM 736 ND1 HIS A 52 -4.036 9.606 10.457 1.00 1.00 N ATOM 737 CD2 HIS A 52 -5.540 8.054 9.989 1.00 1.00 C ATOM 738 CE1 HIS A 52 -3.746 9.095 9.250 1.00 1.00 C ATOM 739 NE2 HIS A 52 -4.645 8.153 8.920 1.00 1.00 N ATOM 0 H HIS A 52 -7.199 10.078 14.108 1.00 1.00 H new ATOM 0 HA HIS A 52 -6.914 11.024 11.456 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -5.204 9.823 12.884 1.00 1.00 H new ATOM 0 HB3 HIS A 52 -6.143 8.352 12.718 1.00 1.00 H new ATOM 0 HD1 HIS A 52 -3.511 10.335 10.940 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -6.376 7.374 10.059 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -2.912 9.397 8.634 1.00 1.00 H new ATOM 747 N TYR A 53 -8.818 8.312 11.731 1.00 1.00 N ATOM 748 CA TYR A 53 -9.797 7.505 10.991 1.00 1.00 C ATOM 749 C TYR A 53 -11.092 8.261 10.634 1.00 1.00 C ATOM 750 O TYR A 53 -11.726 7.932 9.632 1.00 1.00 O ATOM 751 CB TYR A 53 -10.069 6.188 11.740 1.00 1.00 C ATOM 752 CG TYR A 53 -8.878 5.234 11.778 1.00 1.00 C ATOM 753 CD1 TYR A 53 -8.274 4.819 10.576 1.00 1.00 C ATOM 754 CD2 TYR A 53 -8.372 4.753 13.001 1.00 1.00 C ATOM 755 CE1 TYR A 53 -7.152 3.971 10.591 1.00 1.00 C ATOM 756 CE2 TYR A 53 -7.252 3.898 13.027 1.00 1.00 C ATOM 757 CZ TYR A 53 -6.636 3.508 11.819 1.00 1.00 C ATOM 758 OH TYR A 53 -5.566 2.673 11.835 1.00 1.00 O ATOM 0 H TYR A 53 -8.665 8.003 12.691 1.00 1.00 H new ATOM 0 HA TYR A 53 -9.351 7.270 10.025 1.00 1.00 H new ATOM 0 HB2 TYR A 53 -10.368 6.419 12.762 1.00 1.00 H new ATOM 0 HB3 TYR A 53 -10.911 5.682 11.268 1.00 1.00 H new ATOM 0 HD1 TYR A 53 -8.677 5.155 9.632 1.00 1.00 H new ATOM 0 HD2 TYR A 53 -8.846 5.042 13.927 1.00 1.00 H new ATOM 0 HE1 TYR A 53 -6.686 3.675 9.663 1.00 1.00 H new ATOM 0 HE2 TYR A 53 -6.866 3.542 13.970 1.00 1.00 H new ATOM 0 HH TYR A 53 -5.504 2.237 12.711 1.00 1.00 H new ATOM 768 N GLN A 54 -11.476 9.295 11.399 1.00 1.00 N ATOM 769 CA GLN A 54 -12.656 10.128 11.103 1.00 1.00 C ATOM 770 C GLN A 54 -12.352 11.297 10.142 1.00 1.00 C ATOM 771 O GLN A 54 -13.280 11.900 9.598 1.00 1.00 O ATOM 772 CB GLN A 54 -13.280 10.643 12.413 1.00 1.00 C ATOM 773 CG GLN A 54 -13.884 9.507 13.255 1.00 1.00 C ATOM 774 CD GLN A 54 -14.475 10.012 14.568 1.00 1.00 C ATOM 775 OE1 GLN A 54 -15.681 10.133 14.745 1.00 1.00 O ATOM 776 NE2 GLN A 54 -13.648 10.316 15.541 1.00 1.00 N ATOM 0 H GLN A 54 -10.977 9.579 12.242 1.00 1.00 H new ATOM 0 HA GLN A 54 -13.372 9.491 10.584 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -12.519 11.161 12.997 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -14.055 11.373 12.182 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -14.661 9.004 12.679 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -13.114 8.766 13.467 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -12.642 10.219 15.404 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -14.012 10.649 16.434 1.00 1.00 H new ATOM 785 N SER A 55 -11.074 11.631 9.915 1.00 1.00 N ATOM 786 CA SER A 55 -10.652 12.722 9.024 1.00 1.00 C ATOM 787 C SER A 55 -11.022 12.497 7.550 1.00 1.00 C ATOM 788 O SER A 55 -10.861 11.402 6.999 1.00 1.00 O ATOM 789 CB SER A 55 -9.136 12.922 9.124 1.00 1.00 C ATOM 790 OG SER A 55 -8.724 13.978 8.268 1.00 1.00 O ATOM 0 H SER A 55 -10.292 11.143 10.352 1.00 1.00 H new ATOM 0 HA SER A 55 -11.191 13.607 9.361 1.00 1.00 H new ATOM 0 HB2 SER A 55 -8.859 13.149 10.153 1.00 1.00 H new ATOM 0 HB3 SER A 55 -8.621 12.001 8.851 1.00 1.00 H new ATOM 0 HG SER A 55 -7.754 14.099 8.341 1.00 1.00 H new ATOM 796 N ARG A 56 -11.452 13.570 6.871 1.00 1.00 N ATOM 797 CA ARG A 56 -11.744 13.569 5.427 1.00 1.00 C ATOM 798 C ARG A 56 -10.475 13.313 4.602 1.00 1.00 C ATOM 799 O ARG A 56 -10.550 12.670 3.557 1.00 1.00 O ATOM 800 CB ARG A 56 -12.459 14.886 5.064 1.00 1.00 C ATOM 801 CG ARG A 56 -13.114 14.903 3.669 1.00 1.00 C ATOM 802 CD ARG A 56 -12.196 15.370 2.530 1.00 1.00 C ATOM 803 NE ARG A 56 -11.817 16.792 2.668 1.00 1.00 N ATOM 804 CZ ARG A 56 -11.030 17.482 1.862 1.00 1.00 C ATOM 805 NH1 ARG A 56 -10.463 16.946 0.818 1.00 1.00 N ATOM 806 NH2 ARG A 56 -10.793 18.741 2.093 1.00 1.00 N ATOM 0 H ARG A 56 -11.609 14.476 7.313 1.00 1.00 H new ATOM 0 HA ARG A 56 -12.415 12.746 5.179 1.00 1.00 H new ATOM 0 HB2 ARG A 56 -13.226 15.085 5.812 1.00 1.00 H new ATOM 0 HB3 ARG A 56 -11.739 15.702 5.122 1.00 1.00 H new ATOM 0 HG2 ARG A 56 -13.472 13.899 3.439 1.00 1.00 H new ATOM 0 HG3 ARG A 56 -13.988 15.554 3.702 1.00 1.00 H new ATOM 0 HD2 ARG A 56 -11.296 14.755 2.515 1.00 1.00 H new ATOM 0 HD3 ARG A 56 -12.700 15.221 1.575 1.00 1.00 H new ATOM 0 HE ARG A 56 -12.203 17.292 3.469 1.00 1.00 H new ATOM 0 HH11 ARG A 56 -10.621 15.962 0.601 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -9.861 17.511 0.218 1.00 1.00 H new ATOM 0 HH21 ARG A 56 -11.216 19.200 2.900 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -10.184 19.269 1.467 1.00 1.00 H new ATOM 820 N LYS A 57 -9.303 13.752 5.083 1.00 1.00 N ATOM 821 CA LYS A 57 -7.997 13.523 4.427 1.00 1.00 C ATOM 822 C LYS A 57 -7.661 12.029 4.366 1.00 1.00 C ATOM 823 O LYS A 57 -7.226 11.536 3.324 1.00 1.00 O ATOM 824 CB LYS A 57 -6.886 14.307 5.153 1.00 1.00 C ATOM 825 CG LYS A 57 -7.125 15.824 5.273 1.00 1.00 C ATOM 826 CD LYS A 57 -7.300 16.530 3.917 1.00 1.00 C ATOM 827 CE LYS A 57 -7.466 18.051 4.064 1.00 1.00 C ATOM 828 NZ LYS A 57 -6.215 18.724 4.506 1.00 1.00 N ATOM 0 H LYS A 57 -9.229 14.284 5.950 1.00 1.00 H new ATOM 0 HA LYS A 57 -8.064 13.888 3.402 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -6.767 13.894 6.155 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -5.945 14.144 4.627 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -8.014 15.996 5.880 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -6.285 16.275 5.802 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -6.435 16.321 3.288 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -8.172 16.120 3.407 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -7.783 18.472 3.110 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -8.259 18.258 4.783 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -6.367 19.752 4.540 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -5.952 18.381 5.452 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -5.450 18.510 3.835 1.00 1.00 H new ATOM 842 N HIS A 58 -7.933 11.296 5.451 1.00 1.00 N ATOM 843 CA HIS A 58 -7.781 9.836 5.508 1.00 1.00 C ATOM 844 C HIS A 58 -8.746 9.173 4.520 1.00 1.00 C ATOM 845 O HIS A 58 -8.323 8.363 3.698 1.00 1.00 O ATOM 846 CB HIS A 58 -8.023 9.347 6.945 1.00 1.00 C ATOM 847 CG HIS A 58 -8.218 7.854 7.061 1.00 1.00 C ATOM 848 ND1 HIS A 58 -7.199 6.909 7.180 1.00 1.00 N ATOM 849 CD2 HIS A 58 -9.419 7.207 7.025 1.00 1.00 C ATOM 850 CE1 HIS A 58 -7.806 5.714 7.200 1.00 1.00 C ATOM 851 NE2 HIS A 58 -9.140 5.861 7.119 1.00 1.00 N ATOM 0 H HIS A 58 -8.268 11.703 6.324 1.00 1.00 H new ATOM 0 HA HIS A 58 -6.766 9.559 5.222 1.00 1.00 H new ATOM 0 HB2 HIS A 58 -7.177 9.642 7.566 1.00 1.00 H new ATOM 0 HB3 HIS A 58 -8.903 9.850 7.346 1.00 1.00 H new ATOM 0 HD2 HIS A 58 -10.395 7.661 6.940 1.00 1.00 H new ATOM 0 HE1 HIS A 58 -7.295 4.765 7.271 1.00 1.00 H new ATOM 0 HE2 HIS A 58 -9.827 5.107 7.126 1.00 1.00 H new ATOM 859 N ALA A 59 -10.027 9.555 4.542 1.00 1.00 N ATOM 860 CA ALA A 59 -11.034 9.018 3.625 1.00 1.00 C ATOM 861 C ALA A 59 -10.670 9.237 2.145 1.00 1.00 C ATOM 862 O ALA A 59 -10.822 8.321 1.339 1.00 1.00 O ATOM 863 CB ALA A 59 -12.391 9.630 3.973 1.00 1.00 C ATOM 0 H ALA A 59 -10.394 10.246 5.197 1.00 1.00 H new ATOM 0 HA ALA A 59 -11.078 7.936 3.752 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -13.151 9.238 3.297 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -12.653 9.375 5.000 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -12.338 10.714 3.871 1.00 1.00 H new ATOM 869 N ASN A 60 -10.144 10.413 1.779 1.00 1.00 N ATOM 870 CA ASN A 60 -9.693 10.707 0.416 1.00 1.00 C ATOM 871 C ASN A 60 -8.584 9.730 -0.031 1.00 1.00 C ATOM 872 O ASN A 60 -8.661 9.163 -1.124 1.00 1.00 O ATOM 873 CB ASN A 60 -9.243 12.176 0.353 1.00 1.00 C ATOM 874 CG ASN A 60 -8.764 12.567 -1.035 1.00 1.00 C ATOM 875 OD1 ASN A 60 -7.581 12.553 -1.336 1.00 1.00 O ATOM 876 ND2 ASN A 60 -9.664 12.919 -1.927 1.00 1.00 N ATOM 0 H ASN A 60 -10.019 11.191 2.426 1.00 1.00 H new ATOM 0 HA ASN A 60 -10.515 10.564 -0.285 1.00 1.00 H new ATOM 0 HB2 ASN A 60 -10.071 12.821 0.646 1.00 1.00 H new ATOM 0 HB3 ASN A 60 -8.441 12.340 1.073 1.00 1.00 H new ATOM 0 HD21 ASN A 60 -9.373 13.180 -2.869 1.00 1.00 H new ATOM 0 HD22 ASN A 60 -10.653 12.931 -1.677 1.00 1.00 H new ATOM 883 N LYS A 61 -7.592 9.471 0.836 1.00 1.00 N ATOM 884 CA LYS A 61 -6.528 8.487 0.571 1.00 1.00 C ATOM 885 C LYS A 61 -7.087 7.065 0.471 1.00 1.00 C ATOM 886 O LYS A 61 -6.700 6.330 -0.435 1.00 1.00 O ATOM 887 CB LYS A 61 -5.431 8.569 1.640 1.00 1.00 C ATOM 888 CG LYS A 61 -4.546 9.808 1.454 1.00 1.00 C ATOM 889 CD LYS A 61 -3.452 9.844 2.532 1.00 1.00 C ATOM 890 CE LYS A 61 -2.303 10.790 2.170 1.00 1.00 C ATOM 891 NZ LYS A 61 -2.725 12.216 2.132 1.00 1.00 N ATOM 0 H LYS A 61 -7.504 9.937 1.739 1.00 1.00 H new ATOM 0 HA LYS A 61 -6.085 8.734 -0.394 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -5.888 8.594 2.629 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -4.814 7.672 1.597 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -4.091 9.794 0.464 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -5.154 10.711 1.512 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -3.890 10.156 3.480 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -3.058 8.838 2.679 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -1.498 10.672 2.896 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -1.899 10.509 1.198 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -1.910 12.813 1.883 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -3.474 12.338 1.421 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -3.086 12.496 3.066 1.00 1.00 H new ATOM 905 N VAL A 62 -8.029 6.681 1.341 1.00 1.00 N ATOM 906 CA VAL A 62 -8.694 5.365 1.281 1.00 1.00 C ATOM 907 C VAL A 62 -9.467 5.204 -0.030 1.00 1.00 C ATOM 908 O VAL A 62 -9.370 4.152 -0.653 1.00 1.00 O ATOM 909 CB VAL A 62 -9.593 5.122 2.507 1.00 1.00 C ATOM 910 CG1 VAL A 62 -10.413 3.829 2.400 1.00 1.00 C ATOM 911 CG2 VAL A 62 -8.724 4.994 3.762 1.00 1.00 C ATOM 0 H VAL A 62 -8.354 7.270 2.107 1.00 1.00 H new ATOM 0 HA VAL A 62 -7.918 4.600 1.305 1.00 1.00 H new ATOM 0 HB VAL A 62 -10.275 5.971 2.559 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -11.027 3.712 3.293 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -11.056 3.878 1.522 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -9.739 2.977 2.309 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -9.361 4.822 4.630 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -8.037 4.156 3.645 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -8.155 5.913 3.906 1.00 1.00 H new ATOM 1397 N SER A 94 -34.142 8.035 -9.230 1.00 1.00 N ATOM 1398 CA SER A 94 -32.810 8.564 -9.593 1.00 1.00 C ATOM 1399 C SER A 94 -31.662 7.544 -9.416 1.00 1.00 C ATOM 1400 O SER A 94 -30.576 7.879 -8.942 1.00 1.00 O ATOM 1401 CB SER A 94 -32.542 9.857 -8.808 1.00 1.00 C ATOM 1402 OG SER A 94 -33.596 10.790 -9.007 1.00 1.00 O ATOM 0 HA SER A 94 -32.830 8.780 -10.661 1.00 1.00 H new ATOM 0 HB2 SER A 94 -32.445 9.631 -7.746 1.00 1.00 H new ATOM 0 HB3 SER A 94 -31.596 10.294 -9.129 1.00 1.00 H new ATOM 0 HG SER A 94 -34.428 10.308 -9.195 1.00 1.00 H new ATOM 1408 N LYS A 95 -31.910 6.282 -9.787 1.00 1.00 N ATOM 1409 CA LYS A 95 -30.988 5.131 -9.706 1.00 1.00 C ATOM 1410 C LYS A 95 -30.963 4.271 -10.978 1.00 1.00 C ATOM 1411 O LYS A 95 -30.032 3.489 -11.159 1.00 1.00 O ATOM 1412 CB LYS A 95 -31.363 4.268 -8.492 1.00 1.00 C ATOM 1413 CG LYS A 95 -30.929 4.933 -7.173 1.00 1.00 C ATOM 1414 CD LYS A 95 -31.208 4.045 -5.956 1.00 1.00 C ATOM 1415 CE LYS A 95 -32.716 3.918 -5.711 1.00 1.00 C ATOM 1416 NZ LYS A 95 -33.037 3.118 -4.504 1.00 1.00 N ATOM 0 H LYS A 95 -32.814 6.016 -10.176 1.00 1.00 H new ATOM 0 HA LYS A 95 -29.982 5.536 -9.596 1.00 1.00 H new ATOM 0 HB2 LYS A 95 -32.440 4.103 -8.480 1.00 1.00 H new ATOM 0 HB3 LYS A 95 -30.891 3.289 -8.580 1.00 1.00 H new ATOM 0 HG2 LYS A 95 -29.864 5.162 -7.217 1.00 1.00 H new ATOM 0 HG3 LYS A 95 -31.454 5.881 -7.056 1.00 1.00 H new ATOM 0 HD2 LYS A 95 -30.776 3.057 -6.114 1.00 1.00 H new ATOM 0 HD3 LYS A 95 -30.726 4.466 -5.074 1.00 1.00 H new ATOM 0 HE2 LYS A 95 -33.148 4.913 -5.607 1.00 1.00 H new ATOM 0 HE3 LYS A 95 -33.183 3.457 -6.581 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 -34.069 3.065 -4.387 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 -32.651 2.158 -4.611 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 -32.616 3.569 -3.667 1.00 1.00 H new ATOM 1430 N CYS A 96 -31.940 4.424 -11.874 1.00 1.00 N ATOM 1431 CA CYS A 96 -32.035 3.698 -13.143 1.00 1.00 C ATOM 1432 C CYS A 96 -32.670 4.562 -14.248 1.00 1.00 C ATOM 1433 O CYS A 96 -33.570 5.363 -13.989 1.00 1.00 O ATOM 1434 CB CYS A 96 -32.814 2.398 -12.892 1.00 1.00 C ATOM 1435 SG CYS A 96 -32.912 1.383 -14.397 1.00 1.00 S ATOM 0 H CYS A 96 -32.711 5.077 -11.733 1.00 1.00 H new ATOM 0 HA CYS A 96 -31.037 3.452 -13.507 1.00 1.00 H new ATOM 0 HB2 CYS A 96 -32.330 1.829 -12.098 1.00 1.00 H new ATOM 0 HB3 CYS A 96 -33.820 2.636 -12.545 1.00 1.00 H new ATOM 0 HG CYS A 96 -31.925 1.683 -15.188 1.00 1.00 H new ATOM 1441 N CYS A 97 -32.196 4.379 -15.481 1.00 1.00 N ATOM 1442 CA CYS A 97 -32.610 5.082 -16.691 1.00 1.00 C ATOM 1443 C CYS A 97 -32.931 4.064 -17.805 1.00 1.00 C ATOM 1444 O CYS A 97 -32.033 3.682 -18.563 1.00 1.00 O ATOM 1445 CB CYS A 97 -31.486 6.049 -17.096 1.00 1.00 C ATOM 1446 SG CYS A 97 -31.740 6.911 -18.669 1.00 1.00 S ATOM 0 H CYS A 97 -31.467 3.692 -15.671 1.00 1.00 H new ATOM 0 HA CYS A 97 -33.518 5.659 -16.515 1.00 1.00 H new ATOM 0 HB2 CYS A 97 -31.366 6.792 -16.308 1.00 1.00 H new ATOM 0 HB3 CYS A 97 -30.551 5.491 -17.152 1.00 1.00 H new ATOM 0 HG CYS A 97 -31.539 8.185 -18.503 1.00 1.00 H new ATOM 1451 N PRO A 98 -34.191 3.598 -17.939 1.00 1.00 N ATOM 1452 CA PRO A 98 -34.579 2.628 -18.971 1.00 1.00 C ATOM 1453 C PRO A 98 -34.460 3.189 -20.400 1.00 1.00 C ATOM 1454 O PRO A 98 -34.250 2.425 -21.342 1.00 1.00 O ATOM 1455 CB PRO A 98 -36.011 2.207 -18.622 1.00 1.00 C ATOM 1456 CG PRO A 98 -36.565 3.404 -17.852 1.00 1.00 C ATOM 1457 CD PRO A 98 -35.343 3.949 -17.115 1.00 1.00 C ATOM 0 HA PRO A 98 -33.903 1.773 -18.974 1.00 1.00 H new ATOM 0 HB2 PRO A 98 -36.597 2.001 -19.518 1.00 1.00 H new ATOM 0 HB3 PRO A 98 -36.025 1.301 -18.017 1.00 1.00 H new ATOM 0 HG2 PRO A 98 -36.995 4.148 -18.522 1.00 1.00 H new ATOM 0 HG3 PRO A 98 -37.352 3.106 -17.159 1.00 1.00 H new ATOM 0 HD2 PRO A 98 -35.415 5.029 -16.984 1.00 1.00 H new ATOM 0 HD3 PRO A 98 -35.260 3.512 -16.120 1.00 1.00 H new ATOM 1465 N VAL A 99 -34.521 4.518 -20.568 1.00 1.00 N ATOM 1466 CA VAL A 99 -34.340 5.224 -21.858 1.00 1.00 C ATOM 1467 C VAL A 99 -32.963 4.918 -22.472 1.00 1.00 C ATOM 1468 O VAL A 99 -32.832 4.812 -23.696 1.00 1.00 O ATOM 1469 CB VAL A 99 -34.504 6.751 -21.667 1.00 1.00 C ATOM 1470 CG1 VAL A 99 -34.507 7.510 -22.998 1.00 1.00 C ATOM 1471 CG2 VAL A 99 -35.816 7.111 -20.951 1.00 1.00 C ATOM 0 H VAL A 99 -34.702 5.155 -19.792 1.00 1.00 H new ATOM 0 HA VAL A 99 -35.108 4.865 -22.543 1.00 1.00 H new ATOM 0 HB VAL A 99 -33.645 7.046 -21.064 1.00 1.00 H new ATOM 0 HG11 VAL A 99 -34.625 8.577 -22.808 1.00 1.00 H new ATOM 0 HG12 VAL A 99 -33.565 7.336 -23.518 1.00 1.00 H new ATOM 0 HG13 VAL A 99 -35.333 7.158 -23.616 1.00 1.00 H new ATOM 0 HG21 VAL A 99 -35.885 8.193 -20.840 1.00 1.00 H new ATOM 0 HG22 VAL A 99 -36.661 6.751 -21.538 1.00 1.00 H new ATOM 0 HG23 VAL A 99 -35.833 6.644 -19.966 1.00 1.00 H new ATOM 1481 N CYS A 100 -31.955 4.722 -21.616 1.00 1.00 N ATOM 1482 CA CYS A 100 -30.566 4.409 -21.967 1.00 1.00 C ATOM 1483 C CYS A 100 -30.093 3.010 -21.510 1.00 1.00 C ATOM 1484 O CYS A 100 -28.957 2.610 -21.766 1.00 1.00 O ATOM 1485 CB CYS A 100 -29.690 5.507 -21.369 1.00 1.00 C ATOM 1486 SG CYS A 100 -30.009 7.180 -22.005 1.00 1.00 S ATOM 0 H CYS A 100 -32.093 4.780 -20.607 1.00 1.00 H new ATOM 0 HA CYS A 100 -30.487 4.377 -23.054 1.00 1.00 H new ATOM 0 HB2 CYS A 100 -29.830 5.513 -20.288 1.00 1.00 H new ATOM 0 HB3 CYS A 100 -28.645 5.258 -21.554 1.00 1.00 H new ATOM 0 HG CYS A 100 -29.632 8.058 -21.124 1.00 1.00 H new ATOM 1491 N ASN A 101 -30.977 2.281 -20.828 1.00 1.00 N ATOM 1492 CA ASN A 101 -30.809 0.947 -20.239 1.00 1.00 C ATOM 1493 C ASN A 101 -29.541 0.834 -19.367 1.00 1.00 C ATOM 1494 O ASN A 101 -28.645 0.020 -19.612 1.00 1.00 O ATOM 1495 CB ASN A 101 -30.955 -0.123 -21.341 1.00 1.00 C ATOM 1496 CG ASN A 101 -31.018 -1.541 -20.788 1.00 1.00 C ATOM 1497 OD1 ASN A 101 -31.485 -1.795 -19.686 1.00 1.00 O ATOM 1498 ND2 ASN A 101 -30.561 -2.518 -21.540 1.00 1.00 N ATOM 0 H ASN A 101 -31.916 2.640 -20.657 1.00 1.00 H new ATOM 0 HA ASN A 101 -31.608 0.762 -19.521 1.00 1.00 H new ATOM 0 HB2 ASN A 101 -31.859 0.077 -21.917 1.00 1.00 H new ATOM 0 HB3 ASN A 101 -30.114 -0.044 -22.030 1.00 1.00 H new ATOM 0 HD21 ASN A 101 -30.597 -3.480 -21.204 1.00 1.00 H new ATOM 0 HD22 ASN A 101 -30.170 -2.314 -22.460 1.00 1.00 H new ATOM 1505 N MET A 102 -29.467 1.705 -18.357 1.00 1.00 N ATOM 1506 CA MET A 102 -28.334 1.843 -17.428 1.00 1.00 C ATOM 1507 C MET A 102 -28.767 2.307 -16.024 1.00 1.00 C ATOM 1508 O MET A 102 -29.910 2.718 -15.820 1.00 1.00 O ATOM 1509 CB MET A 102 -27.291 2.800 -18.045 1.00 1.00 C ATOM 1510 CG MET A 102 -27.882 4.141 -18.503 1.00 1.00 C ATOM 1511 SD MET A 102 -26.682 5.244 -19.293 1.00 1.00 S ATOM 1512 CE MET A 102 -26.177 6.184 -17.836 1.00 1.00 C ATOM 0 H MET A 102 -30.222 2.360 -18.153 1.00 1.00 H new ATOM 0 HA MET A 102 -27.887 0.859 -17.286 1.00 1.00 H new ATOM 0 HB2 MET A 102 -26.506 2.990 -17.313 1.00 1.00 H new ATOM 0 HB3 MET A 102 -26.820 2.310 -18.897 1.00 1.00 H new ATOM 0 HG2 MET A 102 -28.697 3.948 -19.201 1.00 1.00 H new ATOM 0 HG3 MET A 102 -28.314 4.649 -17.641 1.00 1.00 H new ATOM 0 HE1 MET A 102 -25.240 6.701 -18.043 1.00 1.00 H new ATOM 0 HE2 MET A 102 -26.948 6.914 -17.589 1.00 1.00 H new ATOM 0 HE3 MET A 102 -26.038 5.505 -16.995 1.00 1.00 H new ATOM 1522 N THR A 103 -27.852 2.244 -15.053 1.00 1.00 N ATOM 1523 CA THR A 103 -28.072 2.592 -13.632 1.00 1.00 C ATOM 1524 C THR A 103 -27.052 3.610 -13.105 1.00 1.00 C ATOM 1525 O THR A 103 -26.045 3.899 -13.761 1.00 1.00 O ATOM 1526 CB THR A 103 -28.051 1.327 -12.751 1.00 1.00 C ATOM 1527 OG1 THR A 103 -26.840 0.618 -12.928 1.00 1.00 O ATOM 1528 CG2 THR A 103 -29.203 0.375 -13.079 1.00 1.00 C ATOM 0 H THR A 103 -26.896 1.938 -15.235 1.00 1.00 H new ATOM 0 HA THR A 103 -29.056 3.059 -13.578 1.00 1.00 H new ATOM 0 HB THR A 103 -28.152 1.669 -11.721 1.00 1.00 H new ATOM 0 HG1 THR A 103 -26.843 -0.181 -12.360 1.00 1.00 H new ATOM 0 HG21 THR A 103 -29.146 -0.501 -12.433 1.00 1.00 H new ATOM 0 HG22 THR A 103 -30.153 0.884 -12.917 1.00 1.00 H new ATOM 0 HG23 THR A 103 -29.132 0.063 -14.121 1.00 1.00 H new ATOM 1536 N PHE A 104 -27.311 4.161 -11.913 1.00 1.00 N ATOM 1537 CA PHE A 104 -26.473 5.168 -11.246 1.00 1.00 C ATOM 1538 C PHE A 104 -26.180 4.810 -9.780 1.00 1.00 C ATOM 1539 O PHE A 104 -27.021 4.234 -9.087 1.00 1.00 O ATOM 1540 CB PHE A 104 -27.152 6.547 -11.300 1.00 1.00 C ATOM 1541 CG PHE A 104 -27.755 6.938 -12.635 1.00 1.00 C ATOM 1542 CD1 PHE A 104 -26.925 7.357 -13.688 1.00 1.00 C ATOM 1543 CD2 PHE A 104 -29.151 6.900 -12.817 1.00 1.00 C ATOM 1544 CE1 PHE A 104 -27.491 7.755 -14.912 1.00 1.00 C ATOM 1545 CE2 PHE A 104 -29.716 7.288 -14.043 1.00 1.00 C ATOM 1546 CZ PHE A 104 -28.884 7.716 -15.092 1.00 1.00 C ATOM 0 H PHE A 104 -28.136 3.911 -11.368 1.00 1.00 H new ATOM 0 HA PHE A 104 -25.525 5.193 -11.783 1.00 1.00 H new ATOM 0 HB2 PHE A 104 -27.939 6.572 -10.547 1.00 1.00 H new ATOM 0 HB3 PHE A 104 -26.418 7.303 -11.020 1.00 1.00 H new ATOM 0 HD1 PHE A 104 -25.853 7.373 -13.558 1.00 1.00 H new ATOM 0 HD2 PHE A 104 -29.790 6.571 -12.011 1.00 1.00 H new ATOM 0 HE1 PHE A 104 -26.853 8.092 -15.716 1.00 1.00 H new ATOM 0 HE2 PHE A 104 -30.787 7.258 -14.179 1.00 1.00 H new ATOM 0 HZ PHE A 104 -29.315 8.015 -16.036 1.00 1.00 H new ATOM 1556 N SER A 105 -24.993 5.187 -9.296 1.00 1.00 N ATOM 1557 CA SER A 105 -24.550 4.972 -7.907 1.00 1.00 C ATOM 1558 C SER A 105 -25.134 5.980 -6.902 1.00 1.00 C ATOM 1559 O SER A 105 -25.149 5.711 -5.698 1.00 1.00 O ATOM 1560 CB SER A 105 -23.020 5.041 -7.851 1.00 1.00 C ATOM 1561 OG SER A 105 -22.558 6.274 -8.389 1.00 1.00 O ATOM 0 H SER A 105 -24.294 5.661 -9.868 1.00 1.00 H new ATOM 0 HA SER A 105 -24.919 3.989 -7.613 1.00 1.00 H new ATOM 0 HB2 SER A 105 -22.683 4.938 -6.820 1.00 1.00 H new ATOM 0 HB3 SER A 105 -22.592 4.210 -8.411 1.00 1.00 H new ATOM 0 HG SER A 105 -21.579 6.304 -8.345 1.00 1.00 H new ATOM 1567 N SER A 106 -25.614 7.138 -7.374 1.00 1.00 N ATOM 1568 CA SER A 106 -26.183 8.222 -6.560 1.00 1.00 C ATOM 1569 C SER A 106 -27.092 9.140 -7.398 1.00 1.00 C ATOM 1570 O SER A 106 -26.780 9.370 -8.573 1.00 1.00 O ATOM 1571 CB SER A 106 -25.021 9.058 -5.997 1.00 1.00 C ATOM 1572 OG SER A 106 -25.477 10.249 -5.377 1.00 1.00 O ATOM 0 H SER A 106 -25.617 7.354 -8.371 1.00 1.00 H new ATOM 0 HA SER A 106 -26.784 7.784 -5.763 1.00 1.00 H new ATOM 0 HB2 SER A 106 -24.463 8.463 -5.274 1.00 1.00 H new ATOM 0 HB3 SER A 106 -24.331 9.309 -6.803 1.00 1.00 H new ATOM 0 HG SER A 106 -24.710 10.752 -5.031 1.00 1.00 H new ATOM 1578 N PRO A 107 -28.178 9.714 -6.829 1.00 1.00 N ATOM 1579 CA PRO A 107 -29.050 10.674 -7.516 1.00 1.00 C ATOM 1580 C PRO A 107 -28.312 11.843 -8.189 1.00 1.00 C ATOM 1581 O PRO A 107 -28.771 12.344 -9.216 1.00 1.00 O ATOM 1582 CB PRO A 107 -30.019 11.194 -6.448 1.00 1.00 C ATOM 1583 CG PRO A 107 -30.088 10.048 -5.446 1.00 1.00 C ATOM 1584 CD PRO A 107 -28.663 9.501 -5.469 1.00 1.00 C ATOM 0 HA PRO A 107 -29.552 10.169 -8.341 1.00 1.00 H new ATOM 0 HB2 PRO A 107 -29.653 12.111 -5.986 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -30.999 11.419 -6.870 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -30.373 10.394 -4.453 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -30.817 9.294 -5.742 1.00 1.00 H new ATOM 0 HD2 PRO A 107 -28.034 10.018 -4.744 1.00 1.00 H new ATOM 0 HD3 PRO A 107 -28.646 8.443 -5.209 1.00 1.00 H new ATOM 1592 N VAL A 108 -27.158 12.258 -7.647 1.00 1.00 N ATOM 1593 CA VAL A 108 -26.315 13.332 -8.210 1.00 1.00 C ATOM 1594 C VAL A 108 -25.810 12.965 -9.613 1.00 1.00 C ATOM 1595 O VAL A 108 -25.760 13.814 -10.506 1.00 1.00 O ATOM 1596 CB VAL A 108 -25.132 13.647 -7.268 1.00 1.00 C ATOM 1597 CG1 VAL A 108 -24.252 14.787 -7.795 1.00 1.00 C ATOM 1598 CG2 VAL A 108 -25.625 14.059 -5.873 1.00 1.00 C ATOM 0 H VAL A 108 -26.775 11.853 -6.793 1.00 1.00 H new ATOM 0 HA VAL A 108 -26.930 14.227 -8.301 1.00 1.00 H new ATOM 0 HB VAL A 108 -24.548 12.728 -7.217 1.00 1.00 H new ATOM 0 HG11 VAL A 108 -23.435 14.969 -7.096 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -23.843 14.512 -8.767 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -24.851 15.692 -7.896 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -24.769 14.274 -5.233 1.00 1.00 H new ATOM 0 HG22 VAL A 108 -26.249 14.949 -5.956 1.00 1.00 H new ATOM 0 HG23 VAL A 108 -26.208 13.247 -5.438 1.00 1.00 H new ATOM 1608 N VAL A 109 -25.486 11.687 -9.840 1.00 1.00 N ATOM 1609 CA VAL A 109 -25.059 11.166 -11.149 1.00 1.00 C ATOM 1610 C VAL A 109 -26.262 11.091 -12.098 1.00 1.00 C ATOM 1611 O VAL A 109 -26.149 11.461 -13.266 1.00 1.00 O ATOM 1612 CB VAL A 109 -24.402 9.776 -11.012 1.00 1.00 C ATOM 1613 CG1 VAL A 109 -23.793 9.310 -12.339 1.00 1.00 C ATOM 1614 CG2 VAL A 109 -23.273 9.771 -9.972 1.00 1.00 C ATOM 0 H VAL A 109 -25.513 10.974 -9.111 1.00 1.00 H new ATOM 0 HA VAL A 109 -24.316 11.849 -11.561 1.00 1.00 H new ATOM 0 HB VAL A 109 -25.202 9.105 -10.699 1.00 1.00 H new ATOM 0 HG11 VAL A 109 -23.339 8.328 -12.206 1.00 1.00 H new ATOM 0 HG12 VAL A 109 -24.574 9.249 -13.096 1.00 1.00 H new ATOM 0 HG13 VAL A 109 -23.032 10.021 -12.660 1.00 1.00 H new ATOM 0 HG21 VAL A 109 -22.840 8.773 -9.910 1.00 1.00 H new ATOM 0 HG22 VAL A 109 -22.502 10.483 -10.268 1.00 1.00 H new ATOM 0 HG23 VAL A 109 -23.674 10.054 -8.999 1.00 1.00 H new ATOM 1624 N ALA A 110 -27.423 10.655 -11.592 1.00 1.00 N ATOM 1625 CA ALA A 110 -28.661 10.561 -12.365 1.00 1.00 C ATOM 1626 C ALA A 110 -29.101 11.924 -12.928 1.00 1.00 C ATOM 1627 O ALA A 110 -29.314 12.048 -14.134 1.00 1.00 O ATOM 1628 CB ALA A 110 -29.747 9.939 -11.483 1.00 1.00 C ATOM 0 H ALA A 110 -27.527 10.355 -10.623 1.00 1.00 H new ATOM 0 HA ALA A 110 -28.487 9.923 -13.232 1.00 1.00 H new ATOM 0 HB1 ALA A 110 -30.676 9.863 -12.048 1.00 1.00 H new ATOM 0 HB2 ALA A 110 -29.433 8.944 -11.166 1.00 1.00 H new ATOM 0 HB3 ALA A 110 -29.906 10.566 -10.606 1.00 1.00 H new ATOM 1634 N GLU A 111 -29.198 12.965 -12.088 1.00 1.00 N ATOM 1635 CA GLU A 111 -29.574 14.307 -12.561 1.00 1.00 C ATOM 1636 C GLU A 111 -28.560 14.867 -13.568 1.00 1.00 C ATOM 1637 O GLU A 111 -28.956 15.414 -14.598 1.00 1.00 O ATOM 1638 CB GLU A 111 -29.838 15.276 -11.396 1.00 1.00 C ATOM 1639 CG GLU A 111 -28.627 15.656 -10.535 1.00 1.00 C ATOM 1640 CD GLU A 111 -29.042 16.605 -9.393 1.00 1.00 C ATOM 1641 OE1 GLU A 111 -29.102 17.839 -9.617 1.00 1.00 O ATOM 1642 OE2 GLU A 111 -29.309 16.130 -8.262 1.00 1.00 O ATOM 0 H GLU A 111 -29.023 12.906 -11.085 1.00 1.00 H new ATOM 0 HA GLU A 111 -30.517 14.202 -13.097 1.00 1.00 H new ATOM 0 HB2 GLU A 111 -30.267 16.191 -11.804 1.00 1.00 H new ATOM 0 HB3 GLU A 111 -30.592 14.832 -10.747 1.00 1.00 H new ATOM 0 HG2 GLU A 111 -28.174 14.756 -10.119 1.00 1.00 H new ATOM 0 HG3 GLU A 111 -27.870 16.136 -11.156 1.00 1.00 H new ATOM 1649 N SER A 112 -27.261 14.673 -13.309 1.00 1.00 N ATOM 1650 CA SER A 112 -26.170 15.091 -14.207 1.00 1.00 C ATOM 1651 C SER A 112 -26.276 14.426 -15.587 1.00 1.00 C ATOM 1652 O SER A 112 -26.036 15.074 -16.607 1.00 1.00 O ATOM 1653 CB SER A 112 -24.796 14.781 -13.599 1.00 1.00 C ATOM 1654 OG SER A 112 -24.597 15.495 -12.390 1.00 1.00 O ATOM 0 H SER A 112 -26.931 14.215 -12.459 1.00 1.00 H new ATOM 0 HA SER A 112 -26.271 16.169 -14.333 1.00 1.00 H new ATOM 0 HB2 SER A 112 -24.712 13.711 -13.410 1.00 1.00 H new ATOM 0 HB3 SER A 112 -24.013 15.041 -14.311 1.00 1.00 H new ATOM 0 HG SER A 112 -24.991 14.994 -11.646 1.00 1.00 H new ATOM 1660 N HIS A 113 -26.676 13.150 -15.637 1.00 1.00 N ATOM 1661 CA HIS A 113 -26.907 12.420 -16.884 1.00 1.00 C ATOM 1662 C HIS A 113 -28.133 12.980 -17.628 1.00 1.00 C ATOM 1663 O HIS A 113 -28.032 13.289 -18.817 1.00 1.00 O ATOM 1664 CB HIS A 113 -27.074 10.925 -16.570 1.00 1.00 C ATOM 1665 CG HIS A 113 -27.544 10.103 -17.744 1.00 1.00 C ATOM 1666 ND1 HIS A 113 -26.756 9.515 -18.708 1.00 1.00 N ATOM 1667 CD2 HIS A 113 -28.845 9.796 -18.045 1.00 1.00 C ATOM 1668 CE1 HIS A 113 -27.564 8.867 -19.565 1.00 1.00 C ATOM 1669 NE2 HIS A 113 -28.849 9.011 -19.201 1.00 1.00 N ATOM 0 H HIS A 113 -26.850 12.591 -14.802 1.00 1.00 H new ATOM 0 HA HIS A 113 -26.048 12.547 -17.543 1.00 1.00 H new ATOM 0 HB2 HIS A 113 -26.121 10.529 -16.220 1.00 1.00 H new ATOM 0 HB3 HIS A 113 -27.786 10.813 -15.752 1.00 1.00 H new ATOM 0 HD1 HIS A 113 -25.739 9.563 -18.762 1.00 1.00 H new ATOM 0 HD2 HIS A 113 -29.715 10.107 -17.486 1.00 1.00 H new ATOM 0 HE1 HIS A 113 -27.227 8.309 -20.426 1.00 1.00 H new ATOM 1677 N TYR A 114 -29.275 13.143 -16.945 1.00 1.00 N ATOM 1678 CA TYR A 114 -30.515 13.655 -17.546 1.00 1.00 C ATOM 1679 C TYR A 114 -30.381 15.059 -18.162 1.00 1.00 C ATOM 1680 O TYR A 114 -30.948 15.305 -19.230 1.00 1.00 O ATOM 1681 CB TYR A 114 -31.662 13.626 -16.519 1.00 1.00 C ATOM 1682 CG TYR A 114 -32.080 12.249 -16.016 1.00 1.00 C ATOM 1683 CD1 TYR A 114 -32.235 11.175 -16.918 1.00 1.00 C ATOM 1684 CD2 TYR A 114 -32.363 12.051 -14.649 1.00 1.00 C ATOM 1685 CE1 TYR A 114 -32.632 9.910 -16.452 1.00 1.00 C ATOM 1686 CE2 TYR A 114 -32.761 10.783 -14.177 1.00 1.00 C ATOM 1687 CZ TYR A 114 -32.890 9.706 -15.081 1.00 1.00 C ATOM 1688 OH TYR A 114 -33.278 8.476 -14.651 1.00 1.00 O ATOM 0 H TYR A 114 -29.365 12.922 -15.953 1.00 1.00 H new ATOM 0 HA TYR A 114 -30.743 12.986 -18.375 1.00 1.00 H new ATOM 0 HB2 TYR A 114 -31.368 14.230 -15.660 1.00 1.00 H new ATOM 0 HB3 TYR A 114 -32.533 14.107 -16.964 1.00 1.00 H new ATOM 0 HD1 TYR A 114 -32.048 11.326 -17.971 1.00 1.00 H new ATOM 0 HD2 TYR A 114 -32.274 12.876 -13.958 1.00 1.00 H new ATOM 0 HE1 TYR A 114 -32.740 9.091 -17.147 1.00 1.00 H new ATOM 0 HE2 TYR A 114 -32.967 10.636 -13.127 1.00 1.00 H new ATOM 0 HH TYR A 114 -33.416 8.497 -13.681 1.00 1.00 H new ATOM 1698 N ILE A 115 -29.629 15.973 -17.533 1.00 1.00 N ATOM 1699 CA ILE A 115 -29.401 17.335 -18.065 1.00 1.00 C ATOM 1700 C ILE A 115 -28.294 17.393 -19.136 1.00 1.00 C ATOM 1701 O ILE A 115 -28.117 18.432 -19.777 1.00 1.00 O ATOM 1702 CB ILE A 115 -29.158 18.371 -16.937 1.00 1.00 C ATOM 1703 CG1 ILE A 115 -27.870 18.172 -16.102 1.00 1.00 C ATOM 1704 CG2 ILE A 115 -30.381 18.402 -16.001 1.00 1.00 C ATOM 1705 CD1 ILE A 115 -26.593 18.758 -16.719 1.00 1.00 C ATOM 0 H ILE A 115 -29.161 15.796 -16.644 1.00 1.00 H new ATOM 0 HA ILE A 115 -30.327 17.611 -18.569 1.00 1.00 H new ATOM 0 HB ILE A 115 -29.013 19.321 -17.451 1.00 1.00 H new ATOM 0 HG12 ILE A 115 -28.020 18.622 -15.121 1.00 1.00 H new ATOM 0 HG13 ILE A 115 -27.721 17.104 -15.944 1.00 1.00 H new ATOM 0 HG21 ILE A 115 -30.213 19.129 -15.207 1.00 1.00 H new ATOM 0 HG22 ILE A 115 -31.267 18.684 -16.570 1.00 1.00 H new ATOM 0 HG23 ILE A 115 -30.529 17.415 -15.563 1.00 1.00 H new ATOM 0 HD11 ILE A 115 -25.748 18.566 -16.058 1.00 1.00 H new ATOM 0 HD12 ILE A 115 -26.409 18.292 -17.687 1.00 1.00 H new ATOM 0 HD13 ILE A 115 -26.713 19.833 -16.851 1.00 1.00 H new ATOM 1717 N GLY A 116 -27.550 16.300 -19.342 1.00 1.00 N ATOM 1718 CA GLY A 116 -26.445 16.208 -20.300 1.00 1.00 C ATOM 1719 C GLY A 116 -26.836 15.619 -21.660 1.00 1.00 C ATOM 1720 O GLY A 116 -27.865 14.955 -21.818 1.00 1.00 O ATOM 0 H GLY A 116 -27.706 15.431 -18.831 1.00 1.00 H new ATOM 0 HA2 GLY A 116 -26.030 17.204 -20.454 1.00 1.00 H new ATOM 0 HA3 GLY A 116 -25.654 15.596 -19.866 1.00 1.00 H new ATOM 1724 N LYS A 117 -25.979 15.854 -22.663 1.00 1.00 N ATOM 1725 CA LYS A 117 -26.163 15.386 -24.051 1.00 1.00 C ATOM 1726 C LYS A 117 -26.299 13.863 -24.171 1.00 1.00 C ATOM 1727 O LYS A 117 -27.002 13.390 -25.060 1.00 1.00 O ATOM 1728 CB LYS A 117 -24.997 15.926 -24.906 1.00 1.00 C ATOM 1729 CG LYS A 117 -25.113 15.686 -26.422 1.00 1.00 C ATOM 1730 CD LYS A 117 -26.312 16.402 -27.064 1.00 1.00 C ATOM 1731 CE LYS A 117 -26.255 16.250 -28.590 1.00 1.00 C ATOM 1732 NZ LYS A 117 -27.340 17.013 -29.260 1.00 1.00 N ATOM 0 H LYS A 117 -25.119 16.386 -22.533 1.00 1.00 H new ATOM 0 HA LYS A 117 -27.111 15.777 -24.420 1.00 1.00 H new ATOM 0 HB2 LYS A 117 -24.910 16.999 -24.732 1.00 1.00 H new ATOM 0 HB3 LYS A 117 -24.072 15.470 -24.554 1.00 1.00 H new ATOM 0 HG2 LYS A 117 -24.196 16.022 -26.907 1.00 1.00 H new ATOM 0 HG3 LYS A 117 -25.197 14.615 -26.607 1.00 1.00 H new ATOM 0 HD2 LYS A 117 -27.243 15.984 -26.683 1.00 1.00 H new ATOM 0 HD3 LYS A 117 -26.303 17.458 -26.794 1.00 1.00 H new ATOM 0 HE2 LYS A 117 -25.288 16.597 -28.954 1.00 1.00 H new ATOM 0 HE3 LYS A 117 -26.335 15.195 -28.854 1.00 1.00 H new ATOM 0 HZ1 LYS A 117 -27.269 16.886 -30.290 1.00 1.00 H new ATOM 0 HZ2 LYS A 117 -28.263 16.665 -28.931 1.00 1.00 H new ATOM 0 HZ3 LYS A 117 -27.248 18.023 -29.029 1.00 1.00 H new ATOM 1746 N THR A 118 -25.668 13.096 -23.278 1.00 1.00 N ATOM 1747 CA THR A 118 -25.707 11.619 -23.254 1.00 1.00 C ATOM 1748 C THR A 118 -27.138 11.069 -23.235 1.00 1.00 C ATOM 1749 O THR A 118 -27.459 10.158 -23.997 1.00 1.00 O ATOM 1750 CB THR A 118 -24.937 11.083 -22.033 1.00 1.00 C ATOM 1751 OG1 THR A 118 -23.682 11.727 -21.937 1.00 1.00 O ATOM 1752 CG2 THR A 118 -24.673 9.578 -22.116 1.00 1.00 C ATOM 0 H THR A 118 -25.099 13.489 -22.529 1.00 1.00 H new ATOM 0 HA THR A 118 -25.233 11.278 -24.174 1.00 1.00 H new ATOM 0 HB THR A 118 -25.562 11.284 -21.163 1.00 1.00 H new ATOM 0 HG1 THR A 118 -23.197 11.384 -21.158 1.00 1.00 H new ATOM 0 HG21 THR A 118 -24.127 9.255 -21.229 1.00 1.00 H new ATOM 0 HG22 THR A 118 -25.622 9.045 -22.173 1.00 1.00 H new ATOM 0 HG23 THR A 118 -24.081 9.361 -23.005 1.00 1.00 H new ATOM 1760 N HIS A 119 -28.020 11.645 -22.410 1.00 1.00 N ATOM 1761 CA HIS A 119 -29.435 11.263 -22.360 1.00 1.00 C ATOM 1762 C HIS A 119 -30.185 11.713 -23.623 1.00 1.00 C ATOM 1763 O HIS A 119 -30.926 10.940 -24.227 1.00 1.00 O ATOM 1764 CB HIS A 119 -30.074 11.851 -21.100 1.00 1.00 C ATOM 1765 CG HIS A 119 -31.459 11.317 -20.838 1.00 1.00 C ATOM 1766 ND1 HIS A 119 -31.757 10.004 -20.463 1.00 1.00 N ATOM 1767 CD2 HIS A 119 -32.613 12.044 -20.871 1.00 1.00 C ATOM 1768 CE1 HIS A 119 -33.086 9.974 -20.274 1.00 1.00 C ATOM 1769 NE2 HIS A 119 -33.625 11.182 -20.513 1.00 1.00 N ATOM 0 H HIS A 119 -27.772 12.389 -21.758 1.00 1.00 H new ATOM 0 HA HIS A 119 -29.504 10.176 -22.322 1.00 1.00 H new ATOM 0 HB2 HIS A 119 -29.438 11.634 -20.242 1.00 1.00 H new ATOM 0 HB3 HIS A 119 -30.121 12.936 -21.195 1.00 1.00 H new ATOM 0 HD1 HIS A 119 -31.102 9.230 -20.355 1.00 1.00 H new ATOM 0 HD2 HIS A 119 -32.713 13.088 -21.127 1.00 1.00 H new ATOM 0 HE1 HIS A 119 -33.645 9.100 -19.972 1.00 1.00 H new ATOM 1777 N ILE A 120 -29.955 12.960 -24.052 1.00 1.00 N ATOM 1778 CA ILE A 120 -30.580 13.577 -25.239 1.00 1.00 C ATOM 1779 C ILE A 120 -30.262 12.801 -26.528 1.00 1.00 C ATOM 1780 O ILE A 120 -31.131 12.661 -27.392 1.00 1.00 O ATOM 1781 CB ILE A 120 -30.229 15.083 -25.311 1.00 1.00 C ATOM 1782 CG1 ILE A 120 -30.714 15.781 -24.012 1.00 1.00 C ATOM 1783 CG2 ILE A 120 -30.855 15.746 -26.553 1.00 1.00 C ATOM 1784 CD1 ILE A 120 -30.435 17.288 -23.942 1.00 1.00 C ATOM 0 H ILE A 120 -29.311 13.589 -23.572 1.00 1.00 H new ATOM 0 HA ILE A 120 -31.663 13.513 -25.137 1.00 1.00 H new ATOM 0 HB ILE A 120 -29.148 15.189 -25.399 1.00 1.00 H new ATOM 0 HG12 ILE A 120 -31.787 15.620 -23.910 1.00 1.00 H new ATOM 0 HG13 ILE A 120 -30.237 15.299 -23.159 1.00 1.00 H new ATOM 0 HG21 ILE A 120 -30.590 16.803 -26.574 1.00 1.00 H new ATOM 0 HG22 ILE A 120 -30.479 15.260 -27.453 1.00 1.00 H new ATOM 0 HG23 ILE A 120 -31.940 15.645 -26.512 1.00 1.00 H new ATOM 0 HD11 ILE A 120 -30.810 17.684 -22.998 1.00 1.00 H new ATOM 0 HD12 ILE A 120 -29.361 17.463 -24.007 1.00 1.00 H new ATOM 0 HD13 ILE A 120 -30.935 17.789 -24.771 1.00 1.00 H new ATOM 1796 N LYS A 121 -29.063 12.216 -26.639 1.00 1.00 N ATOM 1797 CA LYS A 121 -28.668 11.337 -27.755 1.00 1.00 C ATOM 1798 C LYS A 121 -29.635 10.150 -27.889 1.00 1.00 C ATOM 1799 O LYS A 121 -30.015 9.786 -29.002 1.00 1.00 O ATOM 1800 CB LYS A 121 -27.215 10.885 -27.535 1.00 1.00 C ATOM 1801 CG LYS A 121 -26.658 10.082 -28.719 1.00 1.00 C ATOM 1802 CD LYS A 121 -25.202 9.681 -28.471 1.00 1.00 C ATOM 1803 CE LYS A 121 -24.673 8.856 -29.652 1.00 1.00 C ATOM 1804 NZ LYS A 121 -23.263 8.435 -29.439 1.00 1.00 N ATOM 0 H LYS A 121 -28.325 12.340 -25.946 1.00 1.00 H new ATOM 0 HA LYS A 121 -28.724 11.882 -28.697 1.00 1.00 H new ATOM 0 HB2 LYS A 121 -26.588 11.761 -27.368 1.00 1.00 H new ATOM 0 HB3 LYS A 121 -27.161 10.277 -26.632 1.00 1.00 H new ATOM 0 HG2 LYS A 121 -27.264 9.189 -28.875 1.00 1.00 H new ATOM 0 HG3 LYS A 121 -26.725 10.676 -29.630 1.00 1.00 H new ATOM 0 HD2 LYS A 121 -24.589 10.572 -28.337 1.00 1.00 H new ATOM 0 HD3 LYS A 121 -25.128 9.102 -27.551 1.00 1.00 H new ATOM 0 HE2 LYS A 121 -25.299 7.975 -29.790 1.00 1.00 H new ATOM 0 HE3 LYS A 121 -24.743 9.444 -30.567 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 -22.939 7.880 -30.257 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 -22.662 9.277 -29.332 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 -23.200 7.853 -28.579 1.00 1.00 H new ATOM 1818 N ASN A 122 -30.095 9.596 -26.762 1.00 1.00 N ATOM 1819 CA ASN A 122 -31.099 8.533 -26.743 1.00 1.00 C ATOM 1820 C ASN A 122 -32.517 9.085 -26.958 1.00 1.00 C ATOM 1821 O ASN A 122 -33.294 8.418 -27.633 1.00 1.00 O ATOM 1822 CB ASN A 122 -30.983 7.694 -25.461 1.00 1.00 C ATOM 1823 CG ASN A 122 -29.970 6.572 -25.624 1.00 1.00 C ATOM 1824 OD1 ASN A 122 -28.821 6.774 -25.992 1.00 1.00 O ATOM 1825 ND2 ASN A 122 -30.368 5.344 -25.385 1.00 1.00 N ATOM 0 H ASN A 122 -29.778 9.876 -25.834 1.00 1.00 H new ATOM 0 HA ASN A 122 -30.901 7.867 -27.583 1.00 1.00 H new ATOM 0 HB2 ASN A 122 -30.688 8.335 -24.630 1.00 1.00 H new ATOM 0 HB3 ASN A 122 -31.957 7.274 -25.210 1.00 1.00 H new ATOM 0 HD21 ASN A 122 -29.720 4.565 -25.506 1.00 1.00 H new ATOM 0 HD22 ASN A 122 -31.325 5.169 -25.078 1.00 1.00 H new