USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 583 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 CYS SG : rot -174:sc= 0.133 USER MOD Set 1.2: A 100 CYS SG : rot 155:sc= -0.0286 USER MOD Set 1.3: A 113 HIS : no HE2:sc= 0.234 K(o=0.34,f=-0.79) USER MOD Set 1.4: A 119 HIS : no HD1:sc= -0.0018 X(o=0.34,f=0.2) USER MOD Set 2.1: A 36 CYS SG : rot -134:sc= 0.161 USER MOD Set 2.2: A 39 CYS SG : rot 137:sc= -1.3! USER MOD Set 2.3: A 52 HIS : no HE2:sc= -0.433 K(o=-1.6,f=-2.6) USER MOD Set 2.4: A 58 HIS : no HD1:sc= 0.00768 K(o=-1.6,f=-2.4) USER MOD Set 3.1: A 47 SER OG : rot 180:sc= 0.348 USER MOD Set 3.2: A 48 GLN : amide:sc= 0.358 X(o=0.71,f=0.53) USER MOD Set 4.1: A 35 GLN : amide:sc= 1.02 K(o=2.2,f=-3.8) USER MOD Set 4.2: A 37 LYS NZ :NH3+ 151:sc= 1.21 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 144:sc= 1.23 (180deg=0.841) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0.764 K(o=0.76,f=-0.0085) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -0.939 X(o=-0.94,f=-1.4) USER MOD Single : A 32 SER OG : rot -46:sc= 0.744 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -4:sc= 0.0113 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -138:sc= 2.48 (180deg=1.2) USER MOD Single : A 53 TYR OH : rot -165:sc= 1.34 USER MOD Single : A 54 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.15) USER MOD Single : A 55 SER OG : rot 180:sc= 0.0374 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) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot -32:sc= 0.00174 USER MOD Single : A 95 LYS NZ :NH3+ -165:sc= 0.569 (180deg=0.491) USER MOD Single : A 96 CYS SG : rot 27:sc= -0.166 USER MOD Single : A 101 ASN : amide:sc=-0.00364 K(o=-0.0036,f=-0.76) USER MOD Single : A 102 MET CE :methyl -152:sc=-0.00189 (180deg=-0.0591) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0.00742 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 74:sc= 0.898 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= 1 K(o=1,f=0) USER MOD ----------------------------------------------------------------- ATOM 188 N GLY A 16 -17.651 8.488 15.488 1.00 1.00 N ATOM 189 CA GLY A 16 -17.421 8.063 16.876 1.00 1.00 C ATOM 190 C GLY A 16 -16.594 6.770 16.967 1.00 1.00 C ATOM 191 O GLY A 16 -16.385 6.091 15.956 1.00 1.00 O ATOM 0 HA2 GLY A 16 -16.906 8.858 17.415 1.00 1.00 H new ATOM 0 HA3 GLY A 16 -18.381 7.912 17.370 1.00 1.00 H new ATOM 195 N LYS A 17 -16.123 6.416 18.173 1.00 1.00 N ATOM 196 CA LYS A 17 -15.282 5.221 18.416 1.00 1.00 C ATOM 197 C LYS A 17 -15.913 3.908 17.939 1.00 1.00 C ATOM 198 O LYS A 17 -15.204 3.057 17.406 1.00 1.00 O ATOM 199 CB LYS A 17 -14.858 5.160 19.899 1.00 1.00 C ATOM 200 CG LYS A 17 -14.006 3.908 20.198 1.00 1.00 C ATOM 201 CD LYS A 17 -13.104 4.016 21.435 1.00 1.00 C ATOM 202 CE LYS A 17 -13.853 4.374 22.724 1.00 1.00 C ATOM 203 NZ LYS A 17 -12.967 4.217 23.907 1.00 1.00 N ATOM 0 H LYS A 17 -16.314 6.953 19.019 1.00 1.00 H new ATOM 0 HA LYS A 17 -14.389 5.334 17.801 1.00 1.00 H new ATOM 0 HB2 LYS A 17 -14.290 6.055 20.152 1.00 1.00 H new ATOM 0 HB3 LYS A 17 -15.746 5.156 20.531 1.00 1.00 H new ATOM 0 HG2 LYS A 17 -14.673 3.056 20.327 1.00 1.00 H new ATOM 0 HG3 LYS A 17 -13.382 3.696 19.330 1.00 1.00 H new ATOM 0 HD2 LYS A 17 -12.587 3.067 21.579 1.00 1.00 H new ATOM 0 HD3 LYS A 17 -12.340 4.771 21.250 1.00 1.00 H new ATOM 0 HE2 LYS A 17 -14.214 5.401 22.667 1.00 1.00 H new ATOM 0 HE3 LYS A 17 -14.729 3.734 22.832 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 -13.184 4.958 24.604 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 -13.123 3.282 24.336 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 -11.974 4.300 23.610 1.00 1.00 H new ATOM 217 N ASP A 18 -17.229 3.746 18.083 1.00 1.00 N ATOM 218 CA ASP A 18 -17.949 2.545 17.631 1.00 1.00 C ATOM 219 C ASP A 18 -17.755 2.299 16.123 1.00 1.00 C ATOM 220 O ASP A 18 -17.426 1.186 15.710 1.00 1.00 O ATOM 221 CB ASP A 18 -19.441 2.671 17.969 1.00 1.00 C ATOM 222 CG ASP A 18 -19.691 2.675 19.486 1.00 1.00 C ATOM 223 OD1 ASP A 18 -19.767 1.578 20.090 1.00 1.00 O ATOM 224 OD2 ASP A 18 -19.813 3.776 20.076 1.00 1.00 O ATOM 0 H ASP A 18 -17.832 4.445 18.518 1.00 1.00 H new ATOM 0 HA ASP A 18 -17.534 1.685 18.157 1.00 1.00 H new ATOM 0 HB2 ASP A 18 -19.834 3.590 17.535 1.00 1.00 H new ATOM 0 HB3 ASP A 18 -19.987 1.844 17.514 1.00 1.00 H new ATOM 229 N ALA A 19 -17.897 3.346 15.302 1.00 1.00 N ATOM 230 CA ALA A 19 -17.660 3.261 13.861 1.00 1.00 C ATOM 231 C ALA A 19 -16.165 3.087 13.533 1.00 1.00 C ATOM 232 O ALA A 19 -15.837 2.320 12.630 1.00 1.00 O ATOM 233 CB ALA A 19 -18.266 4.483 13.171 1.00 1.00 C ATOM 0 H ALA A 19 -18.179 4.273 15.620 1.00 1.00 H new ATOM 0 HA ALA A 19 -18.154 2.369 13.477 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -18.089 4.420 12.097 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -19.339 4.513 13.361 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -17.803 5.389 13.562 1.00 1.00 H new ATOM 239 N VAL A 20 -15.249 3.744 14.265 1.00 1.00 N ATOM 240 CA VAL A 20 -13.791 3.571 14.065 1.00 1.00 C ATOM 241 C VAL A 20 -13.392 2.107 14.298 1.00 1.00 C ATOM 242 O VAL A 20 -12.651 1.541 13.496 1.00 1.00 O ATOM 243 CB VAL A 20 -12.960 4.527 14.953 1.00 1.00 C ATOM 244 CG1 VAL A 20 -11.460 4.221 14.855 1.00 1.00 C ATOM 245 CG2 VAL A 20 -13.154 5.997 14.549 1.00 1.00 C ATOM 0 H VAL A 20 -15.489 4.404 15.005 1.00 1.00 H new ATOM 0 HA VAL A 20 -13.567 3.834 13.031 1.00 1.00 H new ATOM 0 HB VAL A 20 -13.315 4.370 15.971 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -10.906 4.911 15.491 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -11.275 3.198 15.182 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -11.132 4.337 13.822 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -12.553 6.635 15.197 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -12.841 6.134 13.514 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -14.206 6.266 14.649 1.00 1.00 H new ATOM 255 N ASN A 21 -13.924 1.459 15.340 1.00 1.00 N ATOM 256 CA ASN A 21 -13.691 0.039 15.616 1.00 1.00 C ATOM 257 C ASN A 21 -14.141 -0.840 14.430 1.00 1.00 C ATOM 258 O ASN A 21 -13.382 -1.699 13.976 1.00 1.00 O ATOM 259 CB ASN A 21 -14.408 -0.310 16.930 1.00 1.00 C ATOM 260 CG ASN A 21 -14.419 -1.804 17.203 1.00 1.00 C ATOM 261 OD1 ASN A 21 -13.432 -2.396 17.613 1.00 1.00 O ATOM 262 ND2 ASN A 21 -15.537 -2.455 16.971 1.00 1.00 N ATOM 0 H ASN A 21 -14.534 1.911 16.021 1.00 1.00 H new ATOM 0 HA ASN A 21 -12.626 -0.161 15.734 1.00 1.00 H new ATOM 0 HB2 ASN A 21 -13.917 0.204 17.756 1.00 1.00 H new ATOM 0 HB3 ASN A 21 -15.434 0.057 16.890 1.00 1.00 H new ATOM 0 HD21 ASN A 21 -15.585 -3.461 17.133 1.00 1.00 H new ATOM 0 HD22 ASN A 21 -16.357 -1.954 16.629 1.00 1.00 H new ATOM 269 N SER A 22 -15.342 -0.599 13.888 1.00 1.00 N ATOM 270 CA SER A 22 -15.852 -1.318 12.708 1.00 1.00 C ATOM 271 C SER A 22 -14.997 -1.056 11.460 1.00 1.00 C ATOM 272 O SER A 22 -14.731 -1.979 10.690 1.00 1.00 O ATOM 273 CB SER A 22 -17.308 -0.935 12.424 1.00 1.00 C ATOM 274 OG SER A 22 -18.132 -1.333 13.509 1.00 1.00 O ATOM 0 H SER A 22 -15.989 0.100 14.254 1.00 1.00 H new ATOM 0 HA SER A 22 -15.797 -2.382 12.939 1.00 1.00 H new ATOM 0 HB2 SER A 22 -17.387 0.141 12.272 1.00 1.00 H new ATOM 0 HB3 SER A 22 -17.646 -1.413 11.505 1.00 1.00 H new ATOM 0 HG SER A 22 -19.061 -1.084 13.323 1.00 1.00 H new ATOM 280 N LEU A 23 -14.516 0.178 11.267 1.00 1.00 N ATOM 281 CA LEU A 23 -13.642 0.546 10.151 1.00 1.00 C ATOM 282 C LEU A 23 -12.315 -0.226 10.210 1.00 1.00 C ATOM 283 O LEU A 23 -11.880 -0.767 9.192 1.00 1.00 O ATOM 284 CB LEU A 23 -13.407 2.070 10.170 1.00 1.00 C ATOM 285 CG LEU A 23 -12.871 2.600 8.830 1.00 1.00 C ATOM 286 CD1 LEU A 23 -14.005 2.783 7.818 1.00 1.00 C ATOM 287 CD2 LEU A 23 -12.156 3.935 9.023 1.00 1.00 C ATOM 0 H LEU A 23 -14.727 0.957 11.890 1.00 1.00 H new ATOM 0 HA LEU A 23 -14.126 0.275 9.213 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -14.343 2.576 10.409 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -12.700 2.316 10.963 1.00 1.00 H new ATOM 0 HG LEU A 23 -12.166 1.862 8.447 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -13.598 3.159 6.879 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -14.495 1.825 7.643 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -14.731 3.496 8.210 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -11.785 4.291 8.062 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -12.853 4.664 9.436 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -11.319 3.804 9.709 1.00 1.00 H new ATOM 299 N ILE A 24 -11.699 -0.316 11.396 1.00 1.00 N ATOM 300 CA ILE A 24 -10.463 -1.082 11.623 1.00 1.00 C ATOM 301 C ILE A 24 -10.728 -2.580 11.388 1.00 1.00 C ATOM 302 O ILE A 24 -9.929 -3.229 10.717 1.00 1.00 O ATOM 303 CB ILE A 24 -9.880 -0.801 13.030 1.00 1.00 C ATOM 304 CG1 ILE A 24 -9.425 0.674 13.156 1.00 1.00 C ATOM 305 CG2 ILE A 24 -8.681 -1.724 13.329 1.00 1.00 C ATOM 306 CD1 ILE A 24 -9.156 1.109 14.605 1.00 1.00 C ATOM 0 H ILE A 24 -12.048 0.146 12.236 1.00 1.00 H new ATOM 0 HA ILE A 24 -9.707 -0.759 10.907 1.00 1.00 H new ATOM 0 HB ILE A 24 -10.672 -0.998 13.752 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -8.519 0.818 12.567 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -10.191 1.320 12.727 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -8.292 -1.504 14.323 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -9.003 -2.764 13.287 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -7.899 -1.556 12.588 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -8.841 2.152 14.619 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -10.066 0.997 15.194 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -8.369 0.487 15.032 1.00 1.00 H new ATOM 318 N ARG A 25 -11.852 -3.132 11.876 1.00 1.00 N ATOM 319 CA ARG A 25 -12.238 -4.544 11.660 1.00 1.00 C ATOM 320 C ARG A 25 -12.347 -4.891 10.169 1.00 1.00 C ATOM 321 O ARG A 25 -11.825 -5.910 9.725 1.00 1.00 O ATOM 322 CB ARG A 25 -13.578 -4.814 12.383 1.00 1.00 C ATOM 323 CG ARG A 25 -14.195 -6.168 12.028 1.00 1.00 C ATOM 324 CD ARG A 25 -15.558 -6.431 12.672 1.00 1.00 C ATOM 325 NE ARG A 25 -16.175 -7.610 12.033 1.00 1.00 N ATOM 326 CZ ARG A 25 -17.056 -7.621 11.046 1.00 1.00 C ATOM 327 NH1 ARG A 25 -17.661 -6.544 10.628 1.00 1.00 N ATOM 328 NH2 ARG A 25 -17.340 -8.727 10.430 1.00 1.00 N ATOM 0 H ARG A 25 -12.526 -2.610 12.436 1.00 1.00 H new ATOM 0 HA ARG A 25 -11.457 -5.183 12.073 1.00 1.00 H new ATOM 0 HB2 ARG A 25 -13.418 -4.767 13.460 1.00 1.00 H new ATOM 0 HB3 ARG A 25 -14.285 -4.023 12.131 1.00 1.00 H new ATOM 0 HG2 ARG A 25 -14.300 -6.233 10.945 1.00 1.00 H new ATOM 0 HG3 ARG A 25 -13.506 -6.957 12.329 1.00 1.00 H new ATOM 0 HD2 ARG A 25 -15.442 -6.601 13.742 1.00 1.00 H new ATOM 0 HD3 ARG A 25 -16.203 -5.560 12.556 1.00 1.00 H new ATOM 0 HE ARG A 25 -15.889 -8.520 12.394 1.00 1.00 H new ATOM 0 HH11 ARG A 25 -17.462 -5.645 11.066 1.00 1.00 H new ATOM 0 HH12 ARG A 25 -18.333 -6.601 9.863 1.00 1.00 H new ATOM 0 HH21 ARG A 25 -16.883 -9.596 10.706 1.00 1.00 H new ATOM 0 HH22 ARG A 25 -18.020 -8.727 9.670 1.00 1.00 H new ATOM 342 N GLU A 26 -13.032 -4.049 9.401 1.00 1.00 N ATOM 343 CA GLU A 26 -13.283 -4.245 7.965 1.00 1.00 C ATOM 344 C GLU A 26 -12.044 -4.007 7.078 1.00 1.00 C ATOM 345 O GLU A 26 -12.033 -4.383 5.905 1.00 1.00 O ATOM 346 CB GLU A 26 -14.441 -3.323 7.544 1.00 1.00 C ATOM 347 CG GLU A 26 -15.780 -3.793 8.145 1.00 1.00 C ATOM 348 CD GLU A 26 -16.922 -2.763 7.995 1.00 1.00 C ATOM 349 OE1 GLU A 26 -16.856 -1.861 7.125 1.00 1.00 O ATOM 350 OE2 GLU A 26 -17.912 -2.862 8.761 1.00 1.00 O ATOM 0 H GLU A 26 -13.441 -3.188 9.763 1.00 1.00 H new ATOM 0 HA GLU A 26 -13.545 -5.292 7.814 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -14.233 -2.303 7.868 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -14.515 -3.303 6.457 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -16.077 -4.725 7.664 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -15.637 -4.012 9.203 1.00 1.00 H new ATOM 357 N ASN A 27 -10.996 -3.387 7.626 1.00 1.00 N ATOM 358 CA ASN A 27 -9.762 -3.033 6.917 1.00 1.00 C ATOM 359 C ASN A 27 -8.494 -3.435 7.703 1.00 1.00 C ATOM 360 O ASN A 27 -7.459 -2.778 7.606 1.00 1.00 O ATOM 361 CB ASN A 27 -9.817 -1.530 6.610 1.00 1.00 C ATOM 362 CG ASN A 27 -10.973 -1.131 5.710 1.00 1.00 C ATOM 363 OD1 ASN A 27 -10.909 -1.231 4.492 1.00 1.00 O ATOM 364 ND2 ASN A 27 -12.063 -0.669 6.281 1.00 1.00 N ATOM 0 H ASN A 27 -10.982 -3.108 8.607 1.00 1.00 H new ATOM 0 HA ASN A 27 -9.695 -3.595 5.985 1.00 1.00 H new ATOM 0 HB2 ASN A 27 -9.892 -0.979 7.548 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -8.881 -1.230 6.138 1.00 1.00 H new ATOM 0 HD21 ASN A 27 -12.860 -0.392 5.709 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -12.111 -0.588 7.297 1.00 1.00 H new ATOM 371 N SER A 28 -8.560 -4.508 8.497 1.00 1.00 N ATOM 372 CA SER A 28 -7.467 -5.012 9.353 1.00 1.00 C ATOM 373 C SER A 28 -6.140 -5.287 8.627 1.00 1.00 C ATOM 374 O SER A 28 -5.070 -5.298 9.239 1.00 1.00 O ATOM 375 CB SER A 28 -7.944 -6.275 10.075 1.00 1.00 C ATOM 376 OG SER A 28 -8.291 -7.275 9.133 1.00 1.00 O ATOM 0 H SER A 28 -9.405 -5.075 8.568 1.00 1.00 H new ATOM 0 HA SER A 28 -7.239 -4.210 10.055 1.00 1.00 H new ATOM 0 HB2 SER A 28 -7.159 -6.644 10.735 1.00 1.00 H new ATOM 0 HB3 SER A 28 -8.804 -6.041 10.702 1.00 1.00 H new ATOM 0 HG SER A 28 -8.593 -8.079 9.605 1.00 1.00 H new ATOM 382 N HIS A 29 -6.198 -5.474 7.306 1.00 1.00 N ATOM 383 CA HIS A 29 -5.061 -5.673 6.400 1.00 1.00 C ATOM 384 C HIS A 29 -4.279 -4.375 6.089 1.00 1.00 C ATOM 385 O HIS A 29 -3.174 -4.454 5.549 1.00 1.00 O ATOM 386 CB HIS A 29 -5.581 -6.347 5.114 1.00 1.00 C ATOM 387 CG HIS A 29 -6.852 -5.747 4.550 1.00 1.00 C ATOM 388 ND1 HIS A 29 -6.930 -4.632 3.714 1.00 1.00 N ATOM 389 CD2 HIS A 29 -8.119 -6.184 4.818 1.00 1.00 C ATOM 390 CE1 HIS A 29 -8.241 -4.423 3.494 1.00 1.00 C ATOM 391 NE2 HIS A 29 -8.977 -5.341 4.144 1.00 1.00 N ATOM 0 H HIS A 29 -7.090 -5.492 6.811 1.00 1.00 H new ATOM 0 HA HIS A 29 -4.336 -6.316 6.899 1.00 1.00 H new ATOM 0 HB2 HIS A 29 -4.802 -6.294 4.353 1.00 1.00 H new ATOM 0 HB3 HIS A 29 -5.755 -7.403 5.319 1.00 1.00 H new ATOM 0 HD2 HIS A 29 -8.394 -7.025 5.437 1.00 1.00 H new ATOM 0 HE1 HIS A 29 -8.645 -3.630 2.882 1.00 1.00 H new ATOM 0 HE2 HIS A 29 -9.995 -5.403 4.139 1.00 1.00 H new ATOM 399 N ILE A 30 -4.819 -3.197 6.438 1.00 1.00 N ATOM 400 CA ILE A 30 -4.222 -1.864 6.196 1.00 1.00 C ATOM 401 C ILE A 30 -4.350 -0.870 7.370 1.00 1.00 C ATOM 402 O ILE A 30 -3.566 0.080 7.444 1.00 1.00 O ATOM 403 CB ILE A 30 -4.798 -1.230 4.904 1.00 1.00 C ATOM 404 CG1 ILE A 30 -6.345 -1.186 4.917 1.00 1.00 C ATOM 405 CG2 ILE A 30 -4.246 -1.945 3.660 1.00 1.00 C ATOM 406 CD1 ILE A 30 -6.997 -0.537 3.692 1.00 1.00 C ATOM 0 H ILE A 30 -5.719 -3.139 6.915 1.00 1.00 H new ATOM 0 HA ILE A 30 -3.155 -2.054 6.083 1.00 1.00 H new ATOM 0 HB ILE A 30 -4.468 -0.192 4.864 1.00 1.00 H new ATOM 0 HG12 ILE A 30 -6.719 -2.206 5.009 1.00 1.00 H new ATOM 0 HG13 ILE A 30 -6.668 -0.647 5.807 1.00 1.00 H new ATOM 0 HG21 ILE A 30 -4.661 -1.486 2.763 1.00 1.00 H new ATOM 0 HG22 ILE A 30 -3.160 -1.858 3.642 1.00 1.00 H new ATOM 0 HG23 ILE A 30 -4.525 -2.998 3.692 1.00 1.00 H new ATOM 0 HD11 ILE A 30 -8.081 -0.558 3.803 1.00 1.00 H new ATOM 0 HD12 ILE A 30 -6.661 0.496 3.606 1.00 1.00 H new ATOM 0 HD13 ILE A 30 -6.713 -1.087 2.795 1.00 1.00 H new ATOM 418 N PHE A 31 -5.287 -1.081 8.300 1.00 1.00 N ATOM 419 CA PHE A 31 -5.519 -0.255 9.496 1.00 1.00 C ATOM 420 C PHE A 31 -5.339 -1.106 10.761 1.00 1.00 C ATOM 421 O PHE A 31 -5.559 -2.321 10.751 1.00 1.00 O ATOM 422 CB PHE A 31 -6.955 0.309 9.517 1.00 1.00 C ATOM 423 CG PHE A 31 -7.474 1.114 8.336 1.00 1.00 C ATOM 424 CD1 PHE A 31 -6.623 1.674 7.362 1.00 1.00 C ATOM 425 CD2 PHE A 31 -8.867 1.270 8.205 1.00 1.00 C ATOM 426 CE1 PHE A 31 -7.168 2.251 6.201 1.00 1.00 C ATOM 427 CE2 PHE A 31 -9.410 1.847 7.048 1.00 1.00 C ATOM 428 CZ PHE A 31 -8.561 2.296 6.028 1.00 1.00 C ATOM 0 H PHE A 31 -5.935 -1.867 8.240 1.00 1.00 H new ATOM 0 HA PHE A 31 -4.802 0.565 9.469 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -7.632 -0.534 9.657 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.043 0.939 10.402 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -5.553 1.660 7.507 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -9.521 0.943 9.000 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -6.516 2.659 5.443 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -10.480 1.945 6.943 1.00 1.00 H new ATOM 0 HZ PHE A 31 -8.978 2.677 5.108 1.00 1.00 H new ATOM 438 N SER A 32 -4.970 -0.464 11.867 1.00 1.00 N ATOM 439 CA SER A 32 -4.781 -1.104 13.175 1.00 1.00 C ATOM 440 C SER A 32 -4.955 -0.116 14.332 1.00 1.00 C ATOM 441 O SER A 32 -5.041 1.099 14.138 1.00 1.00 O ATOM 442 CB SER A 32 -3.390 -1.753 13.241 1.00 1.00 C ATOM 443 OG SER A 32 -2.374 -0.767 13.238 1.00 1.00 O ATOM 0 H SER A 32 -4.789 0.540 11.883 1.00 1.00 H new ATOM 0 HA SER A 32 -5.551 -1.868 13.282 1.00 1.00 H new ATOM 0 HB2 SER A 32 -3.310 -2.361 14.142 1.00 1.00 H new ATOM 0 HB3 SER A 32 -3.256 -2.423 12.391 1.00 1.00 H new ATOM 0 HG SER A 32 -2.566 -0.101 12.545 1.00 1.00 H new ATOM 449 N ASP A 33 -4.975 -0.637 15.560 1.00 1.00 N ATOM 450 CA ASP A 33 -5.094 0.145 16.798 1.00 1.00 C ATOM 451 C ASP A 33 -3.958 1.174 17.006 1.00 1.00 C ATOM 452 O ASP A 33 -4.114 2.101 17.803 1.00 1.00 O ATOM 453 CB ASP A 33 -5.142 -0.855 17.966 1.00 1.00 C ATOM 454 CG ASP A 33 -5.474 -0.191 19.310 1.00 1.00 C ATOM 455 OD1 ASP A 33 -6.590 0.365 19.437 1.00 1.00 O ATOM 456 OD2 ASP A 33 -4.649 -0.272 20.253 1.00 1.00 O ATOM 0 H ASP A 33 -4.907 -1.641 15.729 1.00 1.00 H new ATOM 0 HA ASP A 33 -6.003 0.744 16.739 1.00 1.00 H new ATOM 0 HB2 ASP A 33 -5.887 -1.621 17.751 1.00 1.00 H new ATOM 0 HB3 ASP A 33 -4.179 -1.360 18.044 1.00 1.00 H new ATOM 461 N THR A 34 -2.820 1.023 16.308 1.00 1.00 N ATOM 462 CA THR A 34 -1.624 1.878 16.456 1.00 1.00 C ATOM 463 C THR A 34 -0.977 2.369 15.150 1.00 1.00 C ATOM 464 O THR A 34 0.031 3.075 15.219 1.00 1.00 O ATOM 465 CB THR A 34 -0.551 1.178 17.314 1.00 1.00 C ATOM 466 OG1 THR A 34 -0.202 -0.070 16.745 1.00 1.00 O ATOM 467 CG2 THR A 34 -1.013 0.924 18.750 1.00 1.00 C ATOM 0 H THR A 34 -2.701 0.289 15.610 1.00 1.00 H new ATOM 0 HA THR A 34 -2.009 2.771 16.948 1.00 1.00 H new ATOM 0 HB THR A 34 0.304 1.854 17.336 1.00 1.00 H new ATOM 0 HG1 THR A 34 0.481 -0.502 17.299 1.00 1.00 H new ATOM 0 HG21 THR A 34 -0.217 0.429 19.306 1.00 1.00 H new ATOM 0 HG22 THR A 34 -1.254 1.874 19.228 1.00 1.00 H new ATOM 0 HG23 THR A 34 -1.898 0.288 18.740 1.00 1.00 H new ATOM 475 N GLN A 35 -1.508 2.055 13.960 1.00 1.00 N ATOM 476 CA GLN A 35 -0.934 2.506 12.677 1.00 1.00 C ATOM 477 C GLN A 35 -1.912 2.403 11.490 1.00 1.00 C ATOM 478 O GLN A 35 -2.654 1.425 11.374 1.00 1.00 O ATOM 479 CB GLN A 35 0.304 1.628 12.369 1.00 1.00 C ATOM 480 CG GLN A 35 1.173 2.120 11.198 1.00 1.00 C ATOM 481 CD GLN A 35 2.217 1.079 10.801 1.00 1.00 C ATOM 482 OE1 GLN A 35 1.900 0.022 10.271 1.00 1.00 O ATOM 483 NE2 GLN A 35 3.492 1.325 11.022 1.00 1.00 N ATOM 0 H GLN A 35 -2.346 1.483 13.856 1.00 1.00 H new ATOM 0 HA GLN A 35 -0.683 3.561 12.789 1.00 1.00 H new ATOM 0 HB2 GLN A 35 0.924 1.573 13.264 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -0.033 0.614 12.152 1.00 1.00 H new ATOM 0 HG2 GLN A 35 0.538 2.345 10.341 1.00 1.00 H new ATOM 0 HG3 GLN A 35 1.671 3.048 11.478 1.00 1.00 H new ATOM 0 HE21 GLN A 35 3.774 2.201 11.463 1.00 1.00 H new ATOM 0 HE22 GLN A 35 4.198 0.640 10.752 1.00 1.00 H new ATOM 492 N CYS A 36 -1.827 3.357 10.555 1.00 1.00 N ATOM 493 CA CYS A 36 -2.555 3.362 9.278 1.00 1.00 C ATOM 494 C CYS A 36 -1.542 3.305 8.119 1.00 1.00 C ATOM 495 O CYS A 36 -0.766 4.246 7.925 1.00 1.00 O ATOM 496 CB CYS A 36 -3.421 4.622 9.152 1.00 1.00 C ATOM 497 SG CYS A 36 -4.370 4.689 7.607 1.00 1.00 S ATOM 0 H CYS A 36 -1.229 4.175 10.670 1.00 1.00 H new ATOM 0 HA CYS A 36 -3.211 2.492 9.240 1.00 1.00 H new ATOM 0 HB2 CYS A 36 -4.110 4.667 9.996 1.00 1.00 H new ATOM 0 HB3 CYS A 36 -2.781 5.502 9.216 1.00 1.00 H new ATOM 0 HG CYS A 36 -4.261 5.873 7.082 1.00 1.00 H new ATOM 502 N LYS A 37 -1.537 2.218 7.337 1.00 1.00 N ATOM 503 CA LYS A 37 -0.602 2.028 6.208 1.00 1.00 C ATOM 504 C LYS A 37 -0.989 2.788 4.934 1.00 1.00 C ATOM 505 O LYS A 37 -0.099 3.165 4.176 1.00 1.00 O ATOM 506 CB LYS A 37 -0.441 0.531 5.912 1.00 1.00 C ATOM 507 CG LYS A 37 0.340 -0.173 7.034 1.00 1.00 C ATOM 508 CD LYS A 37 0.531 -1.651 6.680 1.00 1.00 C ATOM 509 CE LYS A 37 1.511 -2.392 7.603 1.00 1.00 C ATOM 510 NZ LYS A 37 1.090 -2.381 9.027 1.00 1.00 N ATOM 0 H LYS A 37 -2.182 1.439 7.466 1.00 1.00 H new ATOM 0 HA LYS A 37 0.349 2.456 6.525 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -1.423 0.071 5.804 1.00 1.00 H new ATOM 0 HB3 LYS A 37 0.079 0.398 4.964 1.00 1.00 H new ATOM 0 HG2 LYS A 37 1.309 0.306 7.172 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -0.198 -0.081 7.978 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -0.437 -2.151 6.718 1.00 1.00 H new ATOM 0 HD3 LYS A 37 0.888 -1.725 5.653 1.00 1.00 H new ATOM 0 HE2 LYS A 37 1.608 -3.424 7.267 1.00 1.00 H new ATOM 0 HE3 LYS A 37 2.497 -1.935 7.518 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 1.448 -3.234 9.502 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 1.475 -1.536 9.496 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 0.052 -2.364 9.082 1.00 1.00 H new ATOM 524 N VAL A 38 -2.278 3.065 4.702 1.00 1.00 N ATOM 525 CA VAL A 38 -2.733 3.857 3.532 1.00 1.00 C ATOM 526 C VAL A 38 -2.180 5.285 3.588 1.00 1.00 C ATOM 527 O VAL A 38 -1.753 5.840 2.575 1.00 1.00 O ATOM 528 CB VAL A 38 -4.272 3.901 3.451 1.00 1.00 C ATOM 529 CG1 VAL A 38 -4.793 4.885 2.398 1.00 1.00 C ATOM 530 CG2 VAL A 38 -4.809 2.516 3.094 1.00 1.00 C ATOM 0 H VAL A 38 -3.036 2.754 5.309 1.00 1.00 H new ATOM 0 HA VAL A 38 -2.350 3.363 2.639 1.00 1.00 H new ATOM 0 HB VAL A 38 -4.618 4.231 4.430 1.00 1.00 H new ATOM 0 HG11 VAL A 38 -5.883 4.868 2.392 1.00 1.00 H new ATOM 0 HG12 VAL A 38 -4.447 5.891 2.637 1.00 1.00 H new ATOM 0 HG13 VAL A 38 -4.420 4.597 1.415 1.00 1.00 H new ATOM 0 HG21 VAL A 38 -5.897 2.551 3.038 1.00 1.00 H new ATOM 0 HG22 VAL A 38 -4.405 2.207 2.130 1.00 1.00 H new ATOM 0 HG23 VAL A 38 -4.508 1.801 3.859 1.00 1.00 H new ATOM 540 N CYS A 39 -2.175 5.866 4.787 1.00 1.00 N ATOM 541 CA CYS A 39 -1.703 7.219 5.068 1.00 1.00 C ATOM 542 C CYS A 39 -0.268 7.228 5.644 1.00 1.00 C ATOM 543 O CYS A 39 0.222 8.282 6.054 1.00 1.00 O ATOM 544 CB CYS A 39 -2.724 7.812 6.038 1.00 1.00 C ATOM 545 SG CYS A 39 -4.416 7.778 5.376 1.00 1.00 S ATOM 0 H CYS A 39 -2.513 5.387 5.622 1.00 1.00 H new ATOM 0 HA CYS A 39 -1.632 7.814 4.158 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -2.693 7.258 6.976 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -2.448 8.841 6.267 1.00 1.00 H new ATOM 0 HG CYS A 39 -5.240 7.403 6.309 1.00 1.00 H new ATOM 550 N SER A 40 0.386 6.055 5.683 1.00 1.00 N ATOM 551 CA SER A 40 1.730 5.769 6.220 1.00 1.00 C ATOM 552 C SER A 40 2.061 6.561 7.494 1.00 1.00 C ATOM 553 O SER A 40 3.035 7.317 7.549 1.00 1.00 O ATOM 554 CB SER A 40 2.806 5.951 5.138 1.00 1.00 C ATOM 555 OG SER A 40 2.562 5.112 4.019 1.00 1.00 O ATOM 0 H SER A 40 -0.047 5.211 5.309 1.00 1.00 H new ATOM 0 HA SER A 40 1.724 4.722 6.522 1.00 1.00 H new ATOM 0 HB2 SER A 40 2.828 6.992 4.816 1.00 1.00 H new ATOM 0 HB3 SER A 40 3.787 5.726 5.557 1.00 1.00 H new ATOM 0 HG SER A 40 1.790 4.537 4.203 1.00 1.00 H new ATOM 561 N ALA A 41 1.213 6.404 8.514 1.00 1.00 N ATOM 562 CA ALA A 41 1.306 7.129 9.783 1.00 1.00 C ATOM 563 C ALA A 41 1.068 6.244 11.016 1.00 1.00 C ATOM 564 O ALA A 41 0.236 5.333 11.006 1.00 1.00 O ATOM 565 CB ALA A 41 0.296 8.285 9.740 1.00 1.00 C ATOM 0 H ALA A 41 0.426 5.756 8.479 1.00 1.00 H new ATOM 0 HA ALA A 41 2.326 7.499 9.890 1.00 1.00 H new ATOM 0 HB1 ALA A 41 0.343 8.844 10.674 1.00 1.00 H new ATOM 0 HB2 ALA A 41 0.536 8.947 8.908 1.00 1.00 H new ATOM 0 HB3 ALA A 41 -0.709 7.885 9.607 1.00 1.00 H new ATOM 571 N VAL A 42 1.784 6.553 12.102 1.00 1.00 N ATOM 572 CA VAL A 42 1.672 5.881 13.408 1.00 1.00 C ATOM 573 C VAL A 42 0.642 6.625 14.270 1.00 1.00 C ATOM 574 O VAL A 42 0.473 7.841 14.160 1.00 1.00 O ATOM 575 CB VAL A 42 3.053 5.808 14.103 1.00 1.00 C ATOM 576 CG1 VAL A 42 3.008 5.091 15.459 1.00 1.00 C ATOM 577 CG2 VAL A 42 4.062 5.042 13.233 1.00 1.00 C ATOM 0 H VAL A 42 2.479 7.299 12.100 1.00 1.00 H new ATOM 0 HA VAL A 42 1.331 4.856 13.266 1.00 1.00 H new ATOM 0 HB VAL A 42 3.352 6.846 14.252 1.00 1.00 H new ATOM 0 HG11 VAL A 42 4.007 5.073 15.895 1.00 1.00 H new ATOM 0 HG12 VAL A 42 2.330 5.620 16.128 1.00 1.00 H new ATOM 0 HG13 VAL A 42 2.655 4.069 15.319 1.00 1.00 H new ATOM 0 HG21 VAL A 42 5.025 5.003 13.742 1.00 1.00 H new ATOM 0 HG22 VAL A 42 3.700 4.028 13.064 1.00 1.00 H new ATOM 0 HG23 VAL A 42 4.177 5.551 12.276 1.00 1.00 H new ATOM 587 N LEU A 43 -0.062 5.879 15.119 1.00 1.00 N ATOM 588 CA LEU A 43 -1.168 6.323 15.970 1.00 1.00 C ATOM 589 C LEU A 43 -0.867 5.948 17.432 1.00 1.00 C ATOM 590 O LEU A 43 -1.417 4.997 17.987 1.00 1.00 O ATOM 591 CB LEU A 43 -2.478 5.721 15.408 1.00 1.00 C ATOM 592 CG LEU A 43 -2.757 6.070 13.929 1.00 1.00 C ATOM 593 CD1 LEU A 43 -3.900 5.224 13.375 1.00 1.00 C ATOM 594 CD2 LEU A 43 -3.092 7.550 13.758 1.00 1.00 C ATOM 0 H LEU A 43 0.136 4.886 15.240 1.00 1.00 H new ATOM 0 HA LEU A 43 -1.289 7.406 15.963 1.00 1.00 H new ATOM 0 HB2 LEU A 43 -2.439 4.637 15.512 1.00 1.00 H new ATOM 0 HB3 LEU A 43 -3.314 6.070 16.015 1.00 1.00 H new ATOM 0 HG LEU A 43 -1.846 5.852 13.371 1.00 1.00 H new ATOM 0 HD11 LEU A 43 -4.077 5.489 12.333 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -3.637 4.168 13.442 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -4.804 5.410 13.955 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -3.283 7.761 12.706 1.00 1.00 H new ATOM 0 HD22 LEU A 43 -3.979 7.792 14.343 1.00 1.00 H new ATOM 0 HD23 LEU A 43 -2.254 8.155 14.103 1.00 1.00 H new ATOM 606 N ILE A 44 0.077 6.684 18.031 1.00 1.00 N ATOM 607 CA ILE A 44 0.621 6.481 19.392 1.00 1.00 C ATOM 608 C ILE A 44 -0.395 6.463 20.554 1.00 1.00 C ATOM 609 O ILE A 44 -0.048 6.033 21.656 1.00 1.00 O ATOM 610 CB ILE A 44 1.744 7.508 19.682 1.00 1.00 C ATOM 611 CG1 ILE A 44 1.220 8.964 19.673 1.00 1.00 C ATOM 612 CG2 ILE A 44 2.911 7.314 18.695 1.00 1.00 C ATOM 613 CD1 ILE A 44 2.256 9.997 20.132 1.00 1.00 C ATOM 0 H ILE A 44 0.508 7.480 17.561 1.00 1.00 H new ATOM 0 HA ILE A 44 1.010 5.463 19.366 1.00 1.00 H new ATOM 0 HB ILE A 44 2.114 7.324 20.691 1.00 1.00 H new ATOM 0 HG12 ILE A 44 0.892 9.216 18.665 1.00 1.00 H new ATOM 0 HG13 ILE A 44 0.345 9.029 20.319 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.694 8.042 18.909 1.00 1.00 H new ATOM 0 HG22 ILE A 44 3.313 6.307 18.801 1.00 1.00 H new ATOM 0 HG23 ILE A 44 2.553 7.456 17.675 1.00 1.00 H new ATOM 0 HD11 ILE A 44 1.816 10.994 20.099 1.00 1.00 H new ATOM 0 HD12 ILE A 44 2.567 9.772 21.152 1.00 1.00 H new ATOM 0 HD13 ILE A 44 3.123 9.961 19.472 1.00 1.00 H new ATOM 625 N SER A 45 -1.636 6.909 20.336 1.00 1.00 N ATOM 626 CA SER A 45 -2.713 6.927 21.337 1.00 1.00 C ATOM 627 C SER A 45 -4.088 6.833 20.670 1.00 1.00 C ATOM 628 O SER A 45 -4.245 7.179 19.495 1.00 1.00 O ATOM 629 CB SER A 45 -2.628 8.216 22.165 1.00 1.00 C ATOM 630 OG SER A 45 -3.503 8.149 23.279 1.00 1.00 O ATOM 0 H SER A 45 -1.930 7.279 19.432 1.00 1.00 H new ATOM 0 HA SER A 45 -2.589 6.062 21.988 1.00 1.00 H new ATOM 0 HB2 SER A 45 -1.605 8.368 22.508 1.00 1.00 H new ATOM 0 HB3 SER A 45 -2.887 9.073 21.543 1.00 1.00 H new ATOM 0 HG SER A 45 -3.436 8.978 23.798 1.00 1.00 H new ATOM 636 N GLU A 46 -5.105 6.403 21.421 1.00 1.00 N ATOM 637 CA GLU A 46 -6.486 6.292 20.938 1.00 1.00 C ATOM 638 C GLU A 46 -7.028 7.623 20.404 1.00 1.00 C ATOM 639 O GLU A 46 -7.703 7.622 19.381 1.00 1.00 O ATOM 640 CB GLU A 46 -7.381 5.704 22.040 1.00 1.00 C ATOM 641 CG GLU A 46 -8.827 5.521 21.558 1.00 1.00 C ATOM 642 CD GLU A 46 -9.568 4.464 22.385 1.00 1.00 C ATOM 643 OE1 GLU A 46 -9.428 3.261 22.056 1.00 1.00 O ATOM 644 OE2 GLU A 46 -10.315 4.827 23.325 1.00 1.00 O ATOM 0 H GLU A 46 -4.992 6.118 22.394 1.00 1.00 H new ATOM 0 HA GLU A 46 -6.492 5.609 20.088 1.00 1.00 H new ATOM 0 HB2 GLU A 46 -6.980 4.743 22.361 1.00 1.00 H new ATOM 0 HB3 GLU A 46 -7.367 6.361 22.909 1.00 1.00 H new ATOM 0 HG2 GLU A 46 -9.356 6.472 21.624 1.00 1.00 H new ATOM 0 HG3 GLU A 46 -8.827 5.228 20.508 1.00 1.00 H new ATOM 651 N SER A 47 -6.697 8.766 21.014 1.00 1.00 N ATOM 652 CA SER A 47 -7.132 10.077 20.501 1.00 1.00 C ATOM 653 C SER A 47 -6.627 10.348 19.080 1.00 1.00 C ATOM 654 O SER A 47 -7.365 10.882 18.248 1.00 1.00 O ATOM 655 CB SER A 47 -6.683 11.200 21.434 1.00 1.00 C ATOM 656 OG SER A 47 -5.264 11.245 21.540 1.00 1.00 O ATOM 0 H SER A 47 -6.131 8.814 21.861 1.00 1.00 H new ATOM 0 HA SER A 47 -8.221 10.051 20.464 1.00 1.00 H new ATOM 0 HB2 SER A 47 -7.053 12.155 21.062 1.00 1.00 H new ATOM 0 HB3 SER A 47 -7.120 11.052 22.422 1.00 1.00 H new ATOM 0 HG SER A 47 -5.004 11.974 22.142 1.00 1.00 H new ATOM 662 N GLN A 48 -5.393 9.924 18.775 1.00 1.00 N ATOM 663 CA GLN A 48 -4.805 10.049 17.440 1.00 1.00 C ATOM 664 C GLN A 48 -5.504 9.088 16.476 1.00 1.00 C ATOM 665 O GLN A 48 -5.878 9.492 15.377 1.00 1.00 O ATOM 666 CB GLN A 48 -3.292 9.762 17.459 1.00 1.00 C ATOM 667 CG GLN A 48 -2.500 10.528 18.529 1.00 1.00 C ATOM 668 CD GLN A 48 -2.739 12.038 18.497 1.00 1.00 C ATOM 669 OE1 GLN A 48 -2.220 12.758 17.654 1.00 1.00 O ATOM 670 NE2 GLN A 48 -3.534 12.579 19.398 1.00 1.00 N ATOM 0 H GLN A 48 -4.773 9.482 19.454 1.00 1.00 H new ATOM 0 HA GLN A 48 -4.947 11.076 17.104 1.00 1.00 H new ATOM 0 HB2 GLN A 48 -3.142 8.693 17.613 1.00 1.00 H new ATOM 0 HB3 GLN A 48 -2.879 10.004 16.480 1.00 1.00 H new ATOM 0 HG2 GLN A 48 -2.770 10.146 19.513 1.00 1.00 H new ATOM 0 HG3 GLN A 48 -1.436 10.333 18.392 1.00 1.00 H new ATOM 0 HE21 GLN A 48 -3.974 11.993 20.107 1.00 1.00 H new ATOM 0 HE22 GLN A 48 -3.709 13.584 19.386 1.00 1.00 H new ATOM 679 N LYS A 49 -5.726 7.833 16.898 1.00 1.00 N ATOM 680 CA LYS A 49 -6.424 6.813 16.095 1.00 1.00 C ATOM 681 C LYS A 49 -7.840 7.266 15.730 1.00 1.00 C ATOM 682 O LYS A 49 -8.219 7.214 14.563 1.00 1.00 O ATOM 683 CB LYS A 49 -6.337 5.433 16.803 1.00 1.00 C ATOM 684 CG LYS A 49 -7.664 4.806 17.275 1.00 1.00 C ATOM 685 CD LYS A 49 -7.465 3.519 18.088 1.00 1.00 C ATOM 686 CE LYS A 49 -8.847 3.015 18.528 1.00 1.00 C ATOM 687 NZ LYS A 49 -8.772 2.026 19.632 1.00 1.00 N ATOM 0 H LYS A 49 -5.425 7.494 17.812 1.00 1.00 H new ATOM 0 HA LYS A 49 -5.925 6.687 15.134 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -5.854 4.732 16.122 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -5.684 5.537 17.669 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -8.207 5.531 17.881 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -8.285 4.588 16.406 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -6.958 2.764 17.487 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -6.835 3.711 18.957 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -9.454 3.863 18.846 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -9.353 2.563 17.675 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -9.443 1.252 19.451 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -7.807 1.642 19.689 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -9.013 2.490 20.531 1.00 1.00 H new ATOM 701 N LEU A 50 -8.591 7.768 16.711 1.00 1.00 N ATOM 702 CA LEU A 50 -9.948 8.276 16.524 1.00 1.00 C ATOM 703 C LEU A 50 -9.961 9.439 15.529 1.00 1.00 C ATOM 704 O LEU A 50 -10.663 9.363 14.522 1.00 1.00 O ATOM 705 CB LEU A 50 -10.567 8.671 17.882 1.00 1.00 C ATOM 706 CG LEU A 50 -10.944 7.491 18.802 1.00 1.00 C ATOM 707 CD1 LEU A 50 -11.704 8.006 20.023 1.00 1.00 C ATOM 708 CD2 LEU A 50 -11.831 6.448 18.126 1.00 1.00 C ATOM 0 H LEU A 50 -8.266 7.834 17.676 1.00 1.00 H new ATOM 0 HA LEU A 50 -10.564 7.483 16.100 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -9.862 9.312 18.411 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -11.461 9.266 17.696 1.00 1.00 H new ATOM 0 HG LEU A 50 -10.001 7.017 19.073 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -11.967 7.168 20.668 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -11.075 8.705 20.575 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -12.613 8.513 19.699 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -12.056 5.649 18.832 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -12.760 6.916 17.801 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -11.312 6.034 17.262 1.00 1.00 H new ATOM 720 N ALA A 51 -9.164 10.484 15.761 1.00 1.00 N ATOM 721 CA ALA A 51 -9.099 11.629 14.854 1.00 1.00 C ATOM 722 C ALA A 51 -8.643 11.252 13.433 1.00 1.00 C ATOM 723 O ALA A 51 -9.207 11.753 12.456 1.00 1.00 O ATOM 724 CB ALA A 51 -8.190 12.695 15.477 1.00 1.00 C ATOM 0 H ALA A 51 -8.552 10.560 16.574 1.00 1.00 H new ATOM 0 HA ALA A 51 -10.107 12.026 14.731 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -8.131 13.557 14.812 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -8.600 13.006 16.438 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -7.192 12.281 15.624 1.00 1.00 H new ATOM 730 N HIS A 52 -7.654 10.361 13.296 1.00 1.00 N ATOM 731 CA HIS A 52 -7.148 9.938 11.992 1.00 1.00 C ATOM 732 C HIS A 52 -8.193 9.147 11.193 1.00 1.00 C ATOM 733 O HIS A 52 -8.474 9.500 10.050 1.00 1.00 O ATOM 734 CB HIS A 52 -5.866 9.116 12.189 1.00 1.00 C ATOM 735 CG HIS A 52 -5.141 8.830 10.898 1.00 1.00 C ATOM 736 ND1 HIS A 52 -3.991 9.451 10.464 1.00 1.00 N ATOM 737 CD2 HIS A 52 -5.518 7.946 9.922 1.00 1.00 C ATOM 738 CE1 HIS A 52 -3.690 8.968 9.247 1.00 1.00 C ATOM 739 NE2 HIS A 52 -4.602 8.056 8.872 1.00 1.00 N ATOM 0 H HIS A 52 -7.186 9.916 14.085 1.00 1.00 H new ATOM 0 HA HIS A 52 -6.923 10.829 11.406 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -5.198 9.652 12.863 1.00 1.00 H new ATOM 0 HB3 HIS A 52 -6.117 8.173 12.674 1.00 1.00 H new ATOM 0 HD1 HIS A 52 -3.460 10.155 10.977 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -6.370 7.283 9.957 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -2.838 9.269 8.656 1.00 1.00 H new ATOM 747 N TYR A 53 -8.802 8.111 11.781 1.00 1.00 N ATOM 748 CA TYR A 53 -9.796 7.287 11.082 1.00 1.00 C ATOM 749 C TYR A 53 -11.115 8.024 10.806 1.00 1.00 C ATOM 750 O TYR A 53 -11.762 7.758 9.794 1.00 1.00 O ATOM 751 CB TYR A 53 -10.023 5.976 11.854 1.00 1.00 C ATOM 752 CG TYR A 53 -8.821 5.040 11.859 1.00 1.00 C ATOM 753 CD1 TYR A 53 -8.222 4.663 10.642 1.00 1.00 C ATOM 754 CD2 TYR A 53 -8.294 4.546 13.069 1.00 1.00 C ATOM 755 CE1 TYR A 53 -7.079 3.845 10.630 1.00 1.00 C ATOM 756 CE2 TYR A 53 -7.158 3.715 13.065 1.00 1.00 C ATOM 757 CZ TYR A 53 -6.543 3.371 11.843 1.00 1.00 C ATOM 758 OH TYR A 53 -5.446 2.573 11.830 1.00 1.00 O ATOM 0 H TYR A 53 -8.623 7.822 12.743 1.00 1.00 H new ATOM 0 HA TYR A 53 -9.390 7.054 10.098 1.00 1.00 H new ATOM 0 HB2 TYR A 53 -10.288 6.215 12.884 1.00 1.00 H new ATOM 0 HB3 TYR A 53 -10.875 5.454 11.419 1.00 1.00 H new ATOM 0 HD1 TYR A 53 -8.645 5.005 9.709 1.00 1.00 H new ATOM 0 HD2 TYR A 53 -8.765 4.807 14.005 1.00 1.00 H new ATOM 0 HE1 TYR A 53 -6.613 3.581 9.692 1.00 1.00 H new ATOM 0 HE2 TYR A 53 -6.758 3.341 13.996 1.00 1.00 H new ATOM 0 HH TYR A 53 -5.345 2.141 12.704 1.00 1.00 H new ATOM 768 N GLN A 54 -11.514 8.965 11.671 1.00 1.00 N ATOM 769 CA GLN A 54 -12.731 9.766 11.500 1.00 1.00 C ATOM 770 C GLN A 54 -12.580 10.840 10.397 1.00 1.00 C ATOM 771 O GLN A 54 -13.565 11.207 9.757 1.00 1.00 O ATOM 772 CB GLN A 54 -13.074 10.374 12.875 1.00 1.00 C ATOM 773 CG GLN A 54 -14.510 10.872 13.079 1.00 1.00 C ATOM 774 CD GLN A 54 -14.846 12.186 12.372 1.00 1.00 C ATOM 775 OE1 GLN A 54 -14.187 13.205 12.542 1.00 1.00 O ATOM 776 NE2 GLN A 54 -15.885 12.223 11.566 1.00 1.00 N ATOM 0 H GLN A 54 -10.994 9.194 12.519 1.00 1.00 H new ATOM 0 HA GLN A 54 -13.551 9.135 11.157 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -12.864 9.625 13.638 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -12.397 11.210 13.054 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -15.198 10.103 12.729 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -14.687 10.996 14.147 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -16.443 11.383 11.415 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -16.132 13.092 11.092 1.00 1.00 H new ATOM 785 N SER A 55 -11.361 11.344 10.159 1.00 1.00 N ATOM 786 CA SER A 55 -11.074 12.399 9.173 1.00 1.00 C ATOM 787 C SER A 55 -11.490 12.086 7.728 1.00 1.00 C ATOM 788 O SER A 55 -11.251 11.000 7.193 1.00 1.00 O ATOM 789 CB SER A 55 -9.581 12.744 9.201 1.00 1.00 C ATOM 790 OG SER A 55 -9.289 13.752 8.244 1.00 1.00 O ATOM 0 H SER A 55 -10.529 11.024 10.656 1.00 1.00 H new ATOM 0 HA SER A 55 -11.691 13.243 9.480 1.00 1.00 H new ATOM 0 HB2 SER A 55 -9.299 13.086 10.197 1.00 1.00 H new ATOM 0 HB3 SER A 55 -8.991 11.852 8.991 1.00 1.00 H new ATOM 0 HG SER A 55 -8.333 13.964 8.274 1.00 1.00 H new ATOM 796 N ARG A 56 -12.048 13.103 7.053 1.00 1.00 N ATOM 797 CA ARG A 56 -12.417 13.056 5.629 1.00 1.00 C ATOM 798 C ARG A 56 -11.181 12.938 4.725 1.00 1.00 C ATOM 799 O ARG A 56 -11.279 12.351 3.647 1.00 1.00 O ATOM 800 CB ARG A 56 -13.300 14.283 5.308 1.00 1.00 C ATOM 801 CG ARG A 56 -14.104 14.153 4.004 1.00 1.00 C ATOM 802 CD ARG A 56 -13.359 14.662 2.759 1.00 1.00 C ATOM 803 NE ARG A 56 -14.036 14.233 1.520 1.00 1.00 N ATOM 804 CZ ARG A 56 -13.987 13.035 0.963 1.00 1.00 C ATOM 805 NH1 ARG A 56 -13.258 12.068 1.451 1.00 1.00 N ATOM 806 NH2 ARG A 56 -14.684 12.780 -0.105 1.00 1.00 N ATOM 0 H ARG A 56 -12.260 14.000 7.491 1.00 1.00 H new ATOM 0 HA ARG A 56 -12.998 12.157 5.423 1.00 1.00 H new ATOM 0 HB2 ARG A 56 -13.992 14.446 6.134 1.00 1.00 H new ATOM 0 HB3 ARG A 56 -12.666 15.167 5.245 1.00 1.00 H new ATOM 0 HG2 ARG A 56 -14.368 13.106 3.854 1.00 1.00 H new ATOM 0 HG3 ARG A 56 -15.038 14.706 4.108 1.00 1.00 H new ATOM 0 HD2 ARG A 56 -13.300 15.750 2.787 1.00 1.00 H new ATOM 0 HD3 ARG A 56 -12.335 14.287 2.766 1.00 1.00 H new ATOM 0 HE ARG A 56 -14.602 14.935 1.043 1.00 1.00 H new ATOM 0 HH11 ARG A 56 -12.700 12.224 2.291 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -13.246 11.157 0.993 1.00 1.00 H new ATOM 0 HH21 ARG A 56 -15.271 13.506 -0.516 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -14.643 11.854 -0.532 1.00 1.00 H new ATOM 820 N LYS A 57 -10.018 13.443 5.165 1.00 1.00 N ATOM 821 CA LYS A 57 -8.731 13.356 4.440 1.00 1.00 C ATOM 822 C LYS A 57 -8.224 11.911 4.382 1.00 1.00 C ATOM 823 O LYS A 57 -7.772 11.457 3.331 1.00 1.00 O ATOM 824 CB LYS A 57 -7.680 14.275 5.094 1.00 1.00 C ATOM 825 CG LYS A 57 -8.094 15.752 5.229 1.00 1.00 C ATOM 826 CD LYS A 57 -8.423 16.428 3.889 1.00 1.00 C ATOM 827 CE LYS A 57 -8.717 17.916 4.119 1.00 1.00 C ATOM 828 NZ LYS A 57 -9.021 18.621 2.846 1.00 1.00 N ATOM 0 H LYS A 57 -9.940 13.935 6.055 1.00 1.00 H new ATOM 0 HA LYS A 57 -8.898 13.692 3.417 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -7.448 13.887 6.086 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -6.762 14.224 4.509 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -8.964 15.818 5.882 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -7.289 16.303 5.715 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -7.587 16.315 3.199 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -9.284 15.944 3.428 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -9.560 18.019 4.802 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -7.859 18.386 4.599 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -9.214 19.624 3.042 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -8.207 18.544 2.204 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -9.855 18.188 2.400 1.00 1.00 H new ATOM 842 N HIS A 58 -8.374 11.165 5.482 1.00 1.00 N ATOM 843 CA HIS A 58 -8.076 9.726 5.536 1.00 1.00 C ATOM 844 C HIS A 58 -9.002 8.989 4.564 1.00 1.00 C ATOM 845 O HIS A 58 -8.530 8.234 3.720 1.00 1.00 O ATOM 846 CB HIS A 58 -8.233 9.213 6.976 1.00 1.00 C ATOM 847 CG HIS A 58 -8.335 7.710 7.103 1.00 1.00 C ATOM 848 ND1 HIS A 58 -7.262 6.827 7.227 1.00 1.00 N ATOM 849 CD2 HIS A 58 -9.496 6.992 7.080 1.00 1.00 C ATOM 850 CE1 HIS A 58 -7.800 5.598 7.267 1.00 1.00 C ATOM 851 NE2 HIS A 58 -9.140 5.668 7.193 1.00 1.00 N ATOM 0 H HIS A 58 -8.708 11.544 6.368 1.00 1.00 H new ATOM 0 HA HIS A 58 -7.045 9.541 5.235 1.00 1.00 H new ATOM 0 HB2 HIS A 58 -7.383 9.557 7.565 1.00 1.00 H new ATOM 0 HB3 HIS A 58 -9.125 9.662 7.412 1.00 1.00 H new ATOM 0 HD2 HIS A 58 -10.498 7.386 6.991 1.00 1.00 H new ATOM 0 HE1 HIS A 58 -7.235 4.681 7.347 1.00 1.00 H new ATOM 0 HE2 HIS A 58 -9.782 4.876 7.217 1.00 1.00 H new ATOM 859 N ALA A 59 -10.310 9.269 4.618 1.00 1.00 N ATOM 860 CA ALA A 59 -11.294 8.673 3.714 1.00 1.00 C ATOM 861 C ALA A 59 -10.976 8.946 2.229 1.00 1.00 C ATOM 862 O ALA A 59 -11.116 8.049 1.398 1.00 1.00 O ATOM 863 CB ALA A 59 -12.678 9.195 4.113 1.00 1.00 C ATOM 0 H ALA A 59 -10.714 9.918 5.293 1.00 1.00 H new ATOM 0 HA ALA A 59 -11.265 7.588 3.813 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -13.433 8.766 3.454 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -12.891 8.910 5.143 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -12.696 10.281 4.026 1.00 1.00 H new ATOM 869 N ASN A 60 -10.500 10.150 1.883 1.00 1.00 N ATOM 870 CA ASN A 60 -10.089 10.492 0.515 1.00 1.00 C ATOM 871 C ASN A 60 -8.902 9.620 0.055 1.00 1.00 C ATOM 872 O ASN A 60 -8.945 9.033 -1.028 1.00 1.00 O ATOM 873 CB ASN A 60 -9.754 11.993 0.449 1.00 1.00 C ATOM 874 CG ASN A 60 -9.410 12.436 -0.964 1.00 1.00 C ATOM 875 OD1 ASN A 60 -10.184 12.273 -1.897 1.00 1.00 O ATOM 876 ND2 ASN A 60 -8.245 13.005 -1.175 1.00 1.00 N ATOM 0 H ASN A 60 -10.389 10.917 2.547 1.00 1.00 H new ATOM 0 HA ASN A 60 -10.911 10.286 -0.171 1.00 1.00 H new ATOM 0 HB2 ASN A 60 -10.603 12.571 0.814 1.00 1.00 H new ATOM 0 HB3 ASN A 60 -8.915 12.207 1.111 1.00 1.00 H new ATOM 0 HD21 ASN A 60 -7.989 13.309 -2.114 1.00 1.00 H new ATOM 0 HD22 ASN A 60 -7.597 13.143 -0.400 1.00 1.00 H new ATOM 883 N LYS A 61 -7.868 9.483 0.901 1.00 1.00 N ATOM 884 CA LYS A 61 -6.705 8.619 0.627 1.00 1.00 C ATOM 885 C LYS A 61 -7.118 7.148 0.510 1.00 1.00 C ATOM 886 O LYS A 61 -6.653 6.465 -0.399 1.00 1.00 O ATOM 887 CB LYS A 61 -5.602 8.844 1.681 1.00 1.00 C ATOM 888 CG LYS A 61 -4.836 10.142 1.366 1.00 1.00 C ATOM 889 CD LYS A 61 -3.717 10.493 2.355 1.00 1.00 C ATOM 890 CE LYS A 61 -4.268 10.928 3.719 1.00 1.00 C ATOM 891 NZ LYS A 61 -3.233 11.629 4.528 1.00 1.00 N ATOM 0 H LYS A 61 -7.814 9.969 1.796 1.00 1.00 H new ATOM 0 HA LYS A 61 -6.287 8.897 -0.340 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -6.044 8.904 2.676 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -4.915 7.998 1.688 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -4.405 10.058 0.368 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -5.547 10.968 1.338 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -3.066 9.629 2.486 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -3.105 11.293 1.940 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -5.125 11.586 3.573 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -4.626 10.054 4.263 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -3.639 11.909 5.444 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -2.427 10.992 4.687 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -2.909 12.476 4.019 1.00 1.00 H new ATOM 905 N VAL A 62 -8.030 6.668 1.361 1.00 1.00 N ATOM 906 CA VAL A 62 -8.570 5.295 1.298 1.00 1.00 C ATOM 907 C VAL A 62 -9.348 5.059 0.003 1.00 1.00 C ATOM 908 O VAL A 62 -9.121 4.044 -0.651 1.00 1.00 O ATOM 909 CB VAL A 62 -9.430 4.988 2.536 1.00 1.00 C ATOM 910 CG1 VAL A 62 -10.154 3.636 2.454 1.00 1.00 C ATOM 911 CG2 VAL A 62 -8.531 4.942 3.775 1.00 1.00 C ATOM 0 H VAL A 62 -8.422 7.222 2.122 1.00 1.00 H new ATOM 0 HA VAL A 62 -7.727 4.604 1.297 1.00 1.00 H new ATOM 0 HB VAL A 62 -10.179 5.778 2.591 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -10.742 3.483 3.359 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -10.814 3.629 1.587 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -9.420 2.836 2.358 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -9.136 4.725 4.655 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -7.779 4.163 3.650 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -8.038 5.906 3.903 1.00 1.00 H new ATOM 1397 N SER A 94 11.530 -34.073 13.275 1.00 1.00 N ATOM 1398 CA SER A 94 12.990 -33.825 13.287 1.00 1.00 C ATOM 1399 C SER A 94 13.855 -35.055 13.602 1.00 1.00 C ATOM 1400 O SER A 94 15.043 -35.064 13.279 1.00 1.00 O ATOM 1401 CB SER A 94 13.323 -32.719 14.295 1.00 1.00 C ATOM 1402 OG SER A 94 13.079 -33.137 15.627 1.00 1.00 O ATOM 0 HA SER A 94 13.236 -33.531 12.267 1.00 1.00 H new ATOM 0 HB2 SER A 94 14.369 -32.432 14.189 1.00 1.00 H new ATOM 0 HB3 SER A 94 12.726 -31.834 14.076 1.00 1.00 H new ATOM 0 HG SER A 94 12.331 -33.770 15.639 1.00 1.00 H new ATOM 1408 N LYS A 95 13.273 -36.089 14.227 1.00 1.00 N ATOM 1409 CA LYS A 95 13.961 -37.329 14.640 1.00 1.00 C ATOM 1410 C LYS A 95 13.185 -38.623 14.355 1.00 1.00 C ATOM 1411 O LYS A 95 13.736 -39.709 14.518 1.00 1.00 O ATOM 1412 CB LYS A 95 14.309 -37.232 16.133 1.00 1.00 C ATOM 1413 CG LYS A 95 15.515 -36.311 16.391 1.00 1.00 C ATOM 1414 CD LYS A 95 15.893 -36.328 17.875 1.00 1.00 C ATOM 1415 CE LYS A 95 17.077 -35.403 18.197 1.00 1.00 C ATOM 1416 NZ LYS A 95 18.386 -35.976 17.780 1.00 1.00 N ATOM 0 H LYS A 95 12.282 -36.089 14.468 1.00 1.00 H new ATOM 0 HA LYS A 95 14.860 -37.401 14.028 1.00 1.00 H new ATOM 0 HB2 LYS A 95 13.445 -36.858 16.682 1.00 1.00 H new ATOM 0 HB3 LYS A 95 14.526 -38.228 16.519 1.00 1.00 H new ATOM 0 HG2 LYS A 95 16.364 -36.636 15.789 1.00 1.00 H new ATOM 0 HG3 LYS A 95 15.276 -35.293 16.082 1.00 1.00 H new ATOM 0 HD2 LYS A 95 15.030 -36.027 18.469 1.00 1.00 H new ATOM 0 HD3 LYS A 95 16.143 -37.347 18.170 1.00 1.00 H new ATOM 0 HE2 LYS A 95 16.930 -34.445 17.699 1.00 1.00 H new ATOM 0 HE3 LYS A 95 17.097 -35.205 19.269 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 19.157 -35.448 18.237 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 18.434 -36.975 18.065 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 18.483 -35.905 16.747 1.00 1.00 H new ATOM 1430 N CYS A 96 11.932 -38.530 13.914 1.00 1.00 N ATOM 1431 CA CYS A 96 11.071 -39.673 13.588 1.00 1.00 C ATOM 1432 C CYS A 96 10.054 -39.339 12.476 1.00 1.00 C ATOM 1433 O CYS A 96 9.688 -38.179 12.278 1.00 1.00 O ATOM 1434 CB CYS A 96 10.395 -40.122 14.896 1.00 1.00 C ATOM 1435 SG CYS A 96 9.431 -41.654 14.703 1.00 1.00 S ATOM 0 H CYS A 96 11.471 -37.632 13.768 1.00 1.00 H new ATOM 0 HA CYS A 96 11.665 -40.490 13.180 1.00 1.00 H new ATOM 0 HB2 CYS A 96 11.157 -40.272 15.661 1.00 1.00 H new ATOM 0 HB3 CYS A 96 9.739 -39.328 15.252 1.00 1.00 H new ATOM 0 HG CYS A 96 9.927 -42.359 13.730 1.00 1.00 H new ATOM 1441 N CYS A 97 9.593 -40.372 11.766 1.00 1.00 N ATOM 1442 CA CYS A 97 8.597 -40.305 10.695 1.00 1.00 C ATOM 1443 C CYS A 97 7.627 -41.499 10.801 1.00 1.00 C ATOM 1444 O CYS A 97 7.873 -42.544 10.189 1.00 1.00 O ATOM 1445 CB CYS A 97 9.313 -40.296 9.336 1.00 1.00 C ATOM 1446 SG CYS A 97 8.215 -40.340 7.899 1.00 1.00 S ATOM 0 H CYS A 97 9.921 -41.324 11.931 1.00 1.00 H new ATOM 0 HA CYS A 97 8.015 -39.389 10.790 1.00 1.00 H new ATOM 0 HB2 CYS A 97 9.933 -39.402 9.274 1.00 1.00 H new ATOM 0 HB3 CYS A 97 9.984 -41.154 9.289 1.00 1.00 H new ATOM 0 HG CYS A 97 8.923 -40.459 6.815 1.00 1.00 H new ATOM 1451 N PRO A 98 6.514 -41.388 11.553 1.00 1.00 N ATOM 1452 CA PRO A 98 5.523 -42.463 11.692 1.00 1.00 C ATOM 1453 C PRO A 98 4.900 -42.924 10.361 1.00 1.00 C ATOM 1454 O PRO A 98 4.493 -44.080 10.246 1.00 1.00 O ATOM 1455 CB PRO A 98 4.443 -41.914 12.634 1.00 1.00 C ATOM 1456 CG PRO A 98 5.143 -40.784 13.386 1.00 1.00 C ATOM 1457 CD PRO A 98 6.122 -40.235 12.352 1.00 1.00 C ATOM 0 HA PRO A 98 6.013 -43.356 12.082 1.00 1.00 H new ATOM 0 HB2 PRO A 98 3.579 -41.548 12.079 1.00 1.00 H new ATOM 0 HB3 PRO A 98 4.081 -42.683 13.317 1.00 1.00 H new ATOM 0 HG2 PRO A 98 4.437 -40.022 13.717 1.00 1.00 H new ATOM 0 HG3 PRO A 98 5.658 -41.149 14.275 1.00 1.00 H new ATOM 0 HD2 PRO A 98 5.655 -39.468 11.735 1.00 1.00 H new ATOM 0 HD3 PRO A 98 6.986 -39.775 12.832 1.00 1.00 H new ATOM 1465 N VAL A 99 4.860 -42.052 9.340 1.00 1.00 N ATOM 1466 CA VAL A 99 4.348 -42.357 7.984 1.00 1.00 C ATOM 1467 C VAL A 99 5.142 -43.490 7.311 1.00 1.00 C ATOM 1468 O VAL A 99 4.609 -44.212 6.468 1.00 1.00 O ATOM 1469 CB VAL A 99 4.368 -41.104 7.075 1.00 1.00 C ATOM 1470 CG1 VAL A 99 3.564 -41.327 5.787 1.00 1.00 C ATOM 1471 CG2 VAL A 99 3.765 -39.863 7.747 1.00 1.00 C ATOM 0 H VAL A 99 5.190 -41.091 9.432 1.00 1.00 H new ATOM 0 HA VAL A 99 3.317 -42.686 8.113 1.00 1.00 H new ATOM 0 HB VAL A 99 5.424 -40.938 6.864 1.00 1.00 H new ATOM 0 HG11 VAL A 99 3.601 -40.426 5.174 1.00 1.00 H new ATOM 0 HG12 VAL A 99 3.991 -42.162 5.231 1.00 1.00 H new ATOM 0 HG13 VAL A 99 2.528 -41.552 6.039 1.00 1.00 H new ATOM 0 HG21 VAL A 99 3.809 -39.019 7.059 1.00 1.00 H new ATOM 0 HG22 VAL A 99 2.727 -40.061 8.012 1.00 1.00 H new ATOM 0 HG23 VAL A 99 4.331 -39.626 8.648 1.00 1.00 H new ATOM 1481 N CYS A 100 6.404 -43.670 7.704 1.00 1.00 N ATOM 1482 CA CYS A 100 7.328 -44.693 7.199 1.00 1.00 C ATOM 1483 C CYS A 100 7.884 -45.619 8.303 1.00 1.00 C ATOM 1484 O CYS A 100 8.539 -46.622 8.017 1.00 1.00 O ATOM 1485 CB CYS A 100 8.477 -43.954 6.517 1.00 1.00 C ATOM 1486 SG CYS A 100 7.980 -42.892 5.134 1.00 1.00 S ATOM 0 H CYS A 100 6.832 -43.080 8.417 1.00 1.00 H new ATOM 0 HA CYS A 100 6.787 -45.344 6.513 1.00 1.00 H new ATOM 0 HB2 CYS A 100 8.990 -43.343 7.260 1.00 1.00 H new ATOM 0 HB3 CYS A 100 9.198 -44.687 6.154 1.00 1.00 H new ATOM 0 HG CYS A 100 8.859 -41.948 4.974 1.00 1.00 H new ATOM 1491 N ASN A 101 7.630 -45.255 9.560 1.00 1.00 N ATOM 1492 CA ASN A 101 8.073 -45.882 10.806 1.00 1.00 C ATOM 1493 C ASN A 101 9.610 -46.013 10.888 1.00 1.00 C ATOM 1494 O ASN A 101 10.165 -47.102 11.059 1.00 1.00 O ATOM 1495 CB ASN A 101 7.274 -47.175 11.058 1.00 1.00 C ATOM 1496 CG ASN A 101 7.492 -47.750 12.451 1.00 1.00 C ATOM 1497 OD1 ASN A 101 7.777 -47.049 13.414 1.00 1.00 O ATOM 1498 ND2 ASN A 101 7.353 -49.047 12.613 1.00 1.00 N ATOM 0 H ASN A 101 7.054 -44.435 9.750 1.00 1.00 H new ATOM 0 HA ASN A 101 7.843 -45.226 11.646 1.00 1.00 H new ATOM 0 HB2 ASN A 101 6.212 -46.972 10.917 1.00 1.00 H new ATOM 0 HB3 ASN A 101 7.557 -47.921 10.315 1.00 1.00 H new ATOM 0 HD21 ASN A 101 7.482 -49.462 13.536 1.00 1.00 H new ATOM 0 HD22 ASN A 101 7.116 -49.638 11.816 1.00 1.00 H new ATOM 1505 N MET A 102 10.292 -44.870 10.749 1.00 1.00 N ATOM 1506 CA MET A 102 11.761 -44.729 10.785 1.00 1.00 C ATOM 1507 C MET A 102 12.201 -43.521 11.632 1.00 1.00 C ATOM 1508 O MET A 102 11.385 -42.657 11.964 1.00 1.00 O ATOM 1509 CB MET A 102 12.323 -44.597 9.357 1.00 1.00 C ATOM 1510 CG MET A 102 12.071 -45.839 8.494 1.00 1.00 C ATOM 1511 SD MET A 102 13.060 -45.932 6.972 1.00 1.00 S ATOM 1512 CE MET A 102 12.514 -44.433 6.110 1.00 1.00 C ATOM 0 H MET A 102 9.820 -43.978 10.602 1.00 1.00 H new ATOM 0 HA MET A 102 12.161 -45.629 11.251 1.00 1.00 H new ATOM 0 HB2 MET A 102 11.873 -43.729 8.875 1.00 1.00 H new ATOM 0 HB3 MET A 102 13.396 -44.411 9.411 1.00 1.00 H new ATOM 0 HG2 MET A 102 12.272 -46.726 9.094 1.00 1.00 H new ATOM 0 HG3 MET A 102 11.015 -45.868 8.225 1.00 1.00 H new ATOM 0 HE1 MET A 102 12.609 -44.577 5.034 1.00 1.00 H new ATOM 0 HE2 MET A 102 11.472 -44.229 6.359 1.00 1.00 H new ATOM 0 HE3 MET A 102 13.132 -43.590 6.419 1.00 1.00 H new ATOM 1522 N THR A 103 13.494 -43.451 11.966 1.00 1.00 N ATOM 1523 CA THR A 103 14.113 -42.392 12.791 1.00 1.00 C ATOM 1524 C THR A 103 15.332 -41.743 12.121 1.00 1.00 C ATOM 1525 O THR A 103 15.954 -42.317 11.221 1.00 1.00 O ATOM 1526 CB THR A 103 14.501 -42.918 14.185 1.00 1.00 C ATOM 1527 OG1 THR A 103 15.326 -44.062 14.078 1.00 1.00 O ATOM 1528 CG2 THR A 103 13.273 -43.301 15.015 1.00 1.00 C ATOM 0 H THR A 103 14.168 -44.153 11.661 1.00 1.00 H new ATOM 0 HA THR A 103 13.351 -41.620 12.899 1.00 1.00 H new ATOM 0 HB THR A 103 15.034 -42.107 14.681 1.00 1.00 H new ATOM 0 HG1 THR A 103 15.563 -44.380 14.974 1.00 1.00 H new ATOM 0 HG21 THR A 103 13.593 -43.667 15.991 1.00 1.00 H new ATOM 0 HG22 THR A 103 12.636 -42.427 15.146 1.00 1.00 H new ATOM 0 HG23 THR A 103 12.715 -44.083 14.500 1.00 1.00 H new ATOM 1536 N PHE A 104 15.660 -40.520 12.555 1.00 1.00 N ATOM 1537 CA PHE A 104 16.746 -39.670 12.045 1.00 1.00 C ATOM 1538 C PHE A 104 17.613 -39.100 13.177 1.00 1.00 C ATOM 1539 O PHE A 104 17.112 -38.810 14.265 1.00 1.00 O ATOM 1540 CB PHE A 104 16.166 -38.516 11.207 1.00 1.00 C ATOM 1541 CG PHE A 104 14.992 -38.893 10.326 1.00 1.00 C ATOM 1542 CD1 PHE A 104 15.177 -39.723 9.206 1.00 1.00 C ATOM 1543 CD2 PHE A 104 13.701 -38.447 10.661 1.00 1.00 C ATOM 1544 CE1 PHE A 104 14.072 -40.113 8.430 1.00 1.00 C ATOM 1545 CE2 PHE A 104 12.601 -38.814 9.874 1.00 1.00 C ATOM 1546 CZ PHE A 104 12.784 -39.659 8.765 1.00 1.00 C ATOM 0 H PHE A 104 15.147 -40.071 13.314 1.00 1.00 H new ATOM 0 HA PHE A 104 17.383 -40.297 11.421 1.00 1.00 H new ATOM 0 HB2 PHE A 104 15.854 -37.718 11.881 1.00 1.00 H new ATOM 0 HB3 PHE A 104 16.958 -38.110 10.578 1.00 1.00 H new ATOM 0 HD1 PHE A 104 16.168 -40.061 8.942 1.00 1.00 H new ATOM 0 HD2 PHE A 104 13.557 -37.819 11.528 1.00 1.00 H new ATOM 0 HE1 PHE A 104 14.212 -40.761 7.577 1.00 1.00 H new ATOM 0 HE2 PHE A 104 11.615 -38.449 10.119 1.00 1.00 H new ATOM 0 HZ PHE A 104 11.934 -39.960 8.170 1.00 1.00 H new ATOM 1556 N SER A 105 18.908 -38.908 12.923 1.00 1.00 N ATOM 1557 CA SER A 105 19.846 -38.326 13.894 1.00 1.00 C ATOM 1558 C SER A 105 19.637 -36.820 14.126 1.00 1.00 C ATOM 1559 O SER A 105 19.725 -36.365 15.271 1.00 1.00 O ATOM 1560 CB SER A 105 21.287 -38.578 13.427 1.00 1.00 C ATOM 1561 OG SER A 105 21.463 -38.164 12.078 1.00 1.00 O ATOM 0 H SER A 105 19.342 -39.152 12.033 1.00 1.00 H new ATOM 0 HA SER A 105 19.653 -38.817 14.848 1.00 1.00 H new ATOM 0 HB2 SER A 105 21.982 -38.039 14.071 1.00 1.00 H new ATOM 0 HB3 SER A 105 21.524 -39.638 13.520 1.00 1.00 H new ATOM 0 HG SER A 105 22.388 -38.332 11.802 1.00 1.00 H new ATOM 1567 N SER A 106 19.337 -36.052 13.071 1.00 1.00 N ATOM 1568 CA SER A 106 19.177 -34.584 13.102 1.00 1.00 C ATOM 1569 C SER A 106 18.046 -34.073 12.188 1.00 1.00 C ATOM 1570 O SER A 106 17.691 -34.756 11.220 1.00 1.00 O ATOM 1571 CB SER A 106 20.502 -33.941 12.650 1.00 1.00 C ATOM 1572 OG SER A 106 21.527 -34.150 13.609 1.00 1.00 O ATOM 0 H SER A 106 19.193 -36.443 12.140 1.00 1.00 H new ATOM 0 HA SER A 106 18.913 -34.308 14.123 1.00 1.00 H new ATOM 0 HB2 SER A 106 20.806 -34.362 11.692 1.00 1.00 H new ATOM 0 HB3 SER A 106 20.357 -32.872 12.496 1.00 1.00 H new ATOM 0 HG SER A 106 22.357 -33.733 13.297 1.00 1.00 H new ATOM 1578 N PRO A 107 17.494 -32.862 12.435 1.00 1.00 N ATOM 1579 CA PRO A 107 16.402 -32.283 11.643 1.00 1.00 C ATOM 1580 C PRO A 107 16.674 -32.186 10.138 1.00 1.00 C ATOM 1581 O PRO A 107 15.759 -32.410 9.350 1.00 1.00 O ATOM 1582 CB PRO A 107 16.104 -30.903 12.246 1.00 1.00 C ATOM 1583 CG PRO A 107 17.331 -30.584 13.096 1.00 1.00 C ATOM 1584 CD PRO A 107 17.828 -31.959 13.532 1.00 1.00 C ATOM 0 HA PRO A 107 15.544 -32.953 11.702 1.00 1.00 H new ATOM 0 HB2 PRO A 107 15.954 -30.154 11.468 1.00 1.00 H new ATOM 0 HB3 PRO A 107 15.197 -30.921 12.850 1.00 1.00 H new ATOM 0 HG2 PRO A 107 18.087 -30.047 12.524 1.00 1.00 H new ATOM 0 HG3 PRO A 107 17.075 -29.959 13.952 1.00 1.00 H new ATOM 0 HD2 PRO A 107 18.902 -31.947 13.717 1.00 1.00 H new ATOM 0 HD3 PRO A 107 17.348 -32.274 14.459 1.00 1.00 H new ATOM 1592 N VAL A 108 17.905 -31.885 9.708 1.00 1.00 N ATOM 1593 CA VAL A 108 18.226 -31.794 8.268 1.00 1.00 C ATOM 1594 C VAL A 108 18.133 -33.166 7.581 1.00 1.00 C ATOM 1595 O VAL A 108 17.699 -33.256 6.432 1.00 1.00 O ATOM 1596 CB VAL A 108 19.594 -31.133 8.009 1.00 1.00 C ATOM 1597 CG1 VAL A 108 19.725 -30.763 6.526 1.00 1.00 C ATOM 1598 CG2 VAL A 108 19.773 -29.837 8.816 1.00 1.00 C ATOM 0 H VAL A 108 18.694 -31.700 10.327 1.00 1.00 H new ATOM 0 HA VAL A 108 17.472 -31.145 7.824 1.00 1.00 H new ATOM 0 HB VAL A 108 20.351 -31.857 8.311 1.00 1.00 H new ATOM 0 HG11 VAL A 108 20.695 -30.296 6.352 1.00 1.00 H new ATOM 0 HG12 VAL A 108 19.641 -31.663 5.918 1.00 1.00 H new ATOM 0 HG13 VAL A 108 18.933 -30.066 6.254 1.00 1.00 H new ATOM 0 HG21 VAL A 108 20.751 -29.407 8.601 1.00 1.00 H new ATOM 0 HG22 VAL A 108 18.995 -29.126 8.539 1.00 1.00 H new ATOM 0 HG23 VAL A 108 19.700 -30.058 9.881 1.00 1.00 H new ATOM 1608 N VAL A 109 18.460 -34.253 8.293 1.00 1.00 N ATOM 1609 CA VAL A 109 18.313 -35.632 7.787 1.00 1.00 C ATOM 1610 C VAL A 109 16.822 -35.963 7.639 1.00 1.00 C ATOM 1611 O VAL A 109 16.414 -36.534 6.626 1.00 1.00 O ATOM 1612 CB VAL A 109 19.020 -36.654 8.703 1.00 1.00 C ATOM 1613 CG1 VAL A 109 18.929 -38.081 8.148 1.00 1.00 C ATOM 1614 CG2 VAL A 109 20.509 -36.317 8.866 1.00 1.00 C ATOM 0 H VAL A 109 18.836 -34.205 9.240 1.00 1.00 H new ATOM 0 HA VAL A 109 18.794 -35.698 6.811 1.00 1.00 H new ATOM 0 HB VAL A 109 18.508 -36.599 9.664 1.00 1.00 H new ATOM 0 HG11 VAL A 109 19.439 -38.767 8.824 1.00 1.00 H new ATOM 0 HG12 VAL A 109 17.882 -38.371 8.059 1.00 1.00 H new ATOM 0 HG13 VAL A 109 19.401 -38.120 7.166 1.00 1.00 H new ATOM 0 HG21 VAL A 109 20.980 -37.054 9.516 1.00 1.00 H new ATOM 0 HG22 VAL A 109 20.994 -36.331 7.890 1.00 1.00 H new ATOM 0 HG23 VAL A 109 20.611 -35.326 9.308 1.00 1.00 H new ATOM 1624 N ALA A 110 15.997 -35.541 8.605 1.00 1.00 N ATOM 1625 CA ALA A 110 14.544 -35.694 8.540 1.00 1.00 C ATOM 1626 C ALA A 110 13.961 -34.924 7.339 1.00 1.00 C ATOM 1627 O ALA A 110 13.197 -35.481 6.553 1.00 1.00 O ATOM 1628 CB ALA A 110 13.933 -35.237 9.866 1.00 1.00 C ATOM 0 H ALA A 110 16.323 -35.082 9.456 1.00 1.00 H new ATOM 0 HA ALA A 110 14.293 -36.744 8.387 1.00 1.00 H new ATOM 0 HB1 ALA A 110 12.849 -35.348 9.825 1.00 1.00 H new ATOM 0 HB2 ALA A 110 14.330 -35.846 10.678 1.00 1.00 H new ATOM 0 HB3 ALA A 110 14.184 -34.191 10.041 1.00 1.00 H new ATOM 1634 N GLU A 111 14.357 -33.661 7.146 1.00 1.00 N ATOM 1635 CA GLU A 111 13.926 -32.838 6.005 1.00 1.00 C ATOM 1636 C GLU A 111 14.322 -33.479 4.669 1.00 1.00 C ATOM 1637 O GLU A 111 13.497 -33.553 3.757 1.00 1.00 O ATOM 1638 CB GLU A 111 14.516 -31.420 6.114 1.00 1.00 C ATOM 1639 CG GLU A 111 13.821 -30.649 7.241 1.00 1.00 C ATOM 1640 CD GLU A 111 14.420 -29.271 7.575 1.00 1.00 C ATOM 1641 OE1 GLU A 111 15.205 -28.701 6.780 1.00 1.00 O ATOM 1642 OE2 GLU A 111 14.060 -28.744 8.657 1.00 1.00 O ATOM 0 H GLU A 111 14.991 -33.175 7.781 1.00 1.00 H new ATOM 0 HA GLU A 111 12.838 -32.772 6.034 1.00 1.00 H new ATOM 0 HB2 GLU A 111 15.587 -31.477 6.308 1.00 1.00 H new ATOM 0 HB3 GLU A 111 14.390 -30.891 5.169 1.00 1.00 H new ATOM 0 HG2 GLU A 111 12.774 -30.514 6.972 1.00 1.00 H new ATOM 0 HG3 GLU A 111 13.842 -31.262 8.142 1.00 1.00 H new ATOM 1649 N SER A 112 15.551 -34.001 4.572 1.00 1.00 N ATOM 1650 CA SER A 112 16.056 -34.705 3.384 1.00 1.00 C ATOM 1651 C SER A 112 15.218 -35.948 3.056 1.00 1.00 C ATOM 1652 O SER A 112 14.973 -36.235 1.883 1.00 1.00 O ATOM 1653 CB SER A 112 17.523 -35.114 3.566 1.00 1.00 C ATOM 1654 OG SER A 112 18.351 -33.978 3.762 1.00 1.00 O ATOM 0 H SER A 112 16.234 -33.946 5.328 1.00 1.00 H new ATOM 0 HA SER A 112 15.978 -34.006 2.551 1.00 1.00 H new ATOM 0 HB2 SER A 112 17.613 -35.785 4.420 1.00 1.00 H new ATOM 0 HB3 SER A 112 17.861 -35.667 2.689 1.00 1.00 H new ATOM 0 HG SER A 112 18.215 -33.626 4.666 1.00 1.00 H new ATOM 1660 N HIS A 113 14.736 -36.670 4.077 1.00 1.00 N ATOM 1661 CA HIS A 113 13.857 -37.825 3.893 1.00 1.00 C ATOM 1662 C HIS A 113 12.456 -37.392 3.422 1.00 1.00 C ATOM 1663 O HIS A 113 11.968 -37.916 2.420 1.00 1.00 O ATOM 1664 CB HIS A 113 13.773 -38.624 5.203 1.00 1.00 C ATOM 1665 CG HIS A 113 12.691 -39.674 5.169 1.00 1.00 C ATOM 1666 ND1 HIS A 113 12.786 -40.933 4.618 1.00 1.00 N ATOM 1667 CD2 HIS A 113 11.393 -39.507 5.576 1.00 1.00 C ATOM 1668 CE1 HIS A 113 11.572 -41.506 4.687 1.00 1.00 C ATOM 1669 NE2 HIS A 113 10.693 -40.676 5.274 1.00 1.00 N ATOM 0 H HIS A 113 14.947 -36.466 5.054 1.00 1.00 H new ATOM 0 HA HIS A 113 14.278 -38.462 3.115 1.00 1.00 H new ATOM 0 HB2 HIS A 113 14.733 -39.102 5.396 1.00 1.00 H new ATOM 0 HB3 HIS A 113 13.586 -37.940 6.031 1.00 1.00 H new ATOM 0 HD1 HIS A 113 13.628 -41.355 4.227 1.00 1.00 H new ATOM 0 HD2 HIS A 113 10.984 -38.626 6.048 1.00 1.00 H new ATOM 0 HE1 HIS A 113 11.336 -42.495 4.322 1.00 1.00 H new ATOM 1677 N TYR A 114 11.821 -36.425 4.101 1.00 1.00 N ATOM 1678 CA TYR A 114 10.477 -35.930 3.757 1.00 1.00 C ATOM 1679 C TYR A 114 10.351 -35.418 2.309 1.00 1.00 C ATOM 1680 O TYR A 114 9.310 -35.628 1.682 1.00 1.00 O ATOM 1681 CB TYR A 114 10.014 -34.865 4.768 1.00 1.00 C ATOM 1682 CG TYR A 114 9.247 -35.404 5.970 1.00 1.00 C ATOM 1683 CD1 TYR A 114 9.911 -36.067 7.021 1.00 1.00 C ATOM 1684 CD2 TYR A 114 7.850 -35.221 6.043 1.00 1.00 C ATOM 1685 CE1 TYR A 114 9.195 -36.534 8.140 1.00 1.00 C ATOM 1686 CE2 TYR A 114 7.126 -35.697 7.154 1.00 1.00 C ATOM 1687 CZ TYR A 114 7.796 -36.353 8.208 1.00 1.00 C ATOM 1688 OH TYR A 114 7.093 -36.793 9.288 1.00 1.00 O ATOM 0 H TYR A 114 12.229 -35.960 4.912 1.00 1.00 H new ATOM 0 HA TYR A 114 9.813 -36.792 3.819 1.00 1.00 H new ATOM 0 HB2 TYR A 114 10.889 -34.324 5.128 1.00 1.00 H new ATOM 0 HB3 TYR A 114 9.384 -34.143 4.249 1.00 1.00 H new ATOM 0 HD1 TYR A 114 10.979 -36.218 6.968 1.00 1.00 H new ATOM 0 HD2 TYR A 114 7.333 -34.713 5.243 1.00 1.00 H new ATOM 0 HE1 TYR A 114 9.715 -37.030 8.946 1.00 1.00 H new ATOM 0 HE2 TYR A 114 6.056 -35.559 7.199 1.00 1.00 H new ATOM 0 HH TYR A 114 6.143 -36.584 9.167 1.00 1.00 H new ATOM 1698 N ILE A 115 11.391 -34.778 1.756 1.00 1.00 N ATOM 1699 CA ILE A 115 11.394 -34.289 0.359 1.00 1.00 C ATOM 1700 C ILE A 115 11.823 -35.358 -0.665 1.00 1.00 C ATOM 1701 O ILE A 115 11.734 -35.122 -1.873 1.00 1.00 O ATOM 1702 CB ILE A 115 12.216 -32.983 0.205 1.00 1.00 C ATOM 1703 CG1 ILE A 115 13.737 -33.106 0.465 1.00 1.00 C ATOM 1704 CG2 ILE A 115 11.624 -31.897 1.124 1.00 1.00 C ATOM 1705 CD1 ILE A 115 14.564 -33.621 -0.720 1.00 1.00 C ATOM 0 H ILE A 115 12.256 -34.582 2.260 1.00 1.00 H new ATOM 0 HA ILE A 115 10.355 -34.055 0.127 1.00 1.00 H new ATOM 0 HB ILE A 115 12.133 -32.718 -0.849 1.00 1.00 H new ATOM 0 HG12 ILE A 115 14.120 -32.128 0.756 1.00 1.00 H new ATOM 0 HG13 ILE A 115 13.891 -33.774 1.312 1.00 1.00 H new ATOM 0 HG21 ILE A 115 12.200 -30.977 1.018 1.00 1.00 H new ATOM 0 HG22 ILE A 115 10.587 -31.710 0.845 1.00 1.00 H new ATOM 0 HG23 ILE A 115 11.666 -32.234 2.160 1.00 1.00 H new ATOM 0 HD11 ILE A 115 15.615 -33.671 -0.436 1.00 1.00 H new ATOM 0 HD12 ILE A 115 14.217 -34.615 -1.001 1.00 1.00 H new ATOM 0 HD13 ILE A 115 14.449 -32.944 -1.566 1.00 1.00 H new ATOM 1717 N GLY A 116 12.284 -36.530 -0.210 1.00 1.00 N ATOM 1718 CA GLY A 116 12.752 -37.629 -1.060 1.00 1.00 C ATOM 1719 C GLY A 116 11.648 -38.593 -1.508 1.00 1.00 C ATOM 1720 O GLY A 116 10.586 -38.701 -0.886 1.00 1.00 O ATOM 0 H GLY A 116 12.343 -36.744 0.785 1.00 1.00 H new ATOM 0 HA2 GLY A 116 13.233 -37.210 -1.944 1.00 1.00 H new ATOM 0 HA3 GLY A 116 13.513 -38.192 -0.520 1.00 1.00 H new ATOM 1724 N LYS A 117 11.907 -39.325 -2.599 1.00 1.00 N ATOM 1725 CA LYS A 117 10.961 -40.293 -3.192 1.00 1.00 C ATOM 1726 C LYS A 117 10.546 -41.411 -2.232 1.00 1.00 C ATOM 1727 O LYS A 117 9.405 -41.860 -2.296 1.00 1.00 O ATOM 1728 CB LYS A 117 11.539 -40.887 -4.492 1.00 1.00 C ATOM 1729 CG LYS A 117 11.901 -39.860 -5.580 1.00 1.00 C ATOM 1730 CD LYS A 117 10.715 -38.996 -6.036 1.00 1.00 C ATOM 1731 CE LYS A 117 11.142 -38.100 -7.206 1.00 1.00 C ATOM 1732 NZ LYS A 117 10.023 -37.246 -7.684 1.00 1.00 N ATOM 0 H LYS A 117 12.790 -39.264 -3.105 1.00 1.00 H new ATOM 0 HA LYS A 117 10.054 -39.732 -3.418 1.00 1.00 H new ATOM 0 HB2 LYS A 117 12.433 -41.460 -4.244 1.00 1.00 H new ATOM 0 HB3 LYS A 117 10.815 -41.589 -4.905 1.00 1.00 H new ATOM 0 HG2 LYS A 117 12.690 -39.208 -5.204 1.00 1.00 H new ATOM 0 HG3 LYS A 117 12.308 -40.387 -6.443 1.00 1.00 H new ATOM 0 HD2 LYS A 117 9.884 -39.634 -6.339 1.00 1.00 H new ATOM 0 HD3 LYS A 117 10.360 -38.383 -5.207 1.00 1.00 H new ATOM 0 HE2 LYS A 117 11.974 -37.468 -6.895 1.00 1.00 H new ATOM 0 HE3 LYS A 117 11.502 -38.721 -8.027 1.00 1.00 H new ATOM 0 HZ1 LYS A 117 10.351 -36.655 -8.475 1.00 1.00 H new ATOM 0 HZ2 LYS A 117 9.238 -37.849 -8.004 1.00 1.00 H new ATOM 0 HZ3 LYS A 117 9.696 -36.636 -6.908 1.00 1.00 H new ATOM 1746 N THR A 118 11.426 -41.844 -1.326 1.00 1.00 N ATOM 1747 CA THR A 118 11.143 -42.893 -0.323 1.00 1.00 C ATOM 1748 C THR A 118 9.925 -42.544 0.541 1.00 1.00 C ATOM 1749 O THR A 118 9.068 -43.397 0.785 1.00 1.00 O ATOM 1750 CB THR A 118 12.369 -43.128 0.578 1.00 1.00 C ATOM 1751 OG1 THR A 118 13.516 -43.321 -0.226 1.00 1.00 O ATOM 1752 CG2 THR A 118 12.223 -44.363 1.469 1.00 1.00 C ATOM 0 H THR A 118 12.374 -41.474 -1.261 1.00 1.00 H new ATOM 0 HA THR A 118 10.917 -43.808 -0.871 1.00 1.00 H new ATOM 0 HB THR A 118 12.459 -42.247 1.214 1.00 1.00 H new ATOM 0 HG1 THR A 118 14.297 -43.469 0.348 1.00 1.00 H new ATOM 0 HG21 THR A 118 13.117 -44.478 2.081 1.00 1.00 H new ATOM 0 HG22 THR A 118 11.353 -44.245 2.115 1.00 1.00 H new ATOM 0 HG23 THR A 118 12.094 -45.248 0.846 1.00 1.00 H new ATOM 1760 N HIS A 119 9.808 -41.281 0.964 1.00 1.00 N ATOM 1761 CA HIS A 119 8.665 -40.792 1.740 1.00 1.00 C ATOM 1762 C HIS A 119 7.389 -40.770 0.890 1.00 1.00 C ATOM 1763 O HIS A 119 6.350 -41.266 1.320 1.00 1.00 O ATOM 1764 CB HIS A 119 8.992 -39.396 2.281 1.00 1.00 C ATOM 1765 CG HIS A 119 7.943 -38.863 3.222 1.00 1.00 C ATOM 1766 ND1 HIS A 119 7.731 -39.317 4.525 1.00 1.00 N ATOM 1767 CD2 HIS A 119 7.075 -37.843 2.958 1.00 1.00 C ATOM 1768 CE1 HIS A 119 6.746 -38.553 5.023 1.00 1.00 C ATOM 1769 NE2 HIS A 119 6.328 -37.664 4.102 1.00 1.00 N ATOM 0 H HIS A 119 10.509 -40.565 0.776 1.00 1.00 H new ATOM 0 HA HIS A 119 8.481 -41.468 2.575 1.00 1.00 H new ATOM 0 HB2 HIS A 119 9.951 -39.429 2.798 1.00 1.00 H new ATOM 0 HB3 HIS A 119 9.104 -38.706 1.444 1.00 1.00 H new ATOM 0 HD2 HIS A 119 6.991 -37.287 2.036 1.00 1.00 H new ATOM 0 HE1 HIS A 119 6.345 -38.639 6.022 1.00 1.00 H new ATOM 0 HE2 HIS A 119 5.586 -36.976 4.229 1.00 1.00 H new ATOM 1777 N ILE A 120 7.480 -40.248 -0.341 1.00 1.00 N ATOM 1778 CA ILE A 120 6.368 -40.153 -1.306 1.00 1.00 C ATOM 1779 C ILE A 120 5.799 -41.539 -1.650 1.00 1.00 C ATOM 1780 O ILE A 120 4.581 -41.726 -1.639 1.00 1.00 O ATOM 1781 CB ILE A 120 6.802 -39.342 -2.549 1.00 1.00 C ATOM 1782 CG1 ILE A 120 7.202 -37.915 -2.094 1.00 1.00 C ATOM 1783 CG2 ILE A 120 5.672 -39.285 -3.596 1.00 1.00 C ATOM 1784 CD1 ILE A 120 7.687 -36.988 -3.216 1.00 1.00 C ATOM 0 H ILE A 120 8.353 -39.868 -0.707 1.00 1.00 H new ATOM 0 HA ILE A 120 5.546 -39.607 -0.844 1.00 1.00 H new ATOM 0 HB ILE A 120 7.655 -39.831 -3.021 1.00 1.00 H new ATOM 0 HG12 ILE A 120 6.344 -37.452 -1.606 1.00 1.00 H new ATOM 0 HG13 ILE A 120 7.989 -37.996 -1.345 1.00 1.00 H new ATOM 0 HG21 ILE A 120 6.005 -38.709 -4.459 1.00 1.00 H new ATOM 0 HG22 ILE A 120 5.417 -40.297 -3.912 1.00 1.00 H new ATOM 0 HG23 ILE A 120 4.794 -38.809 -3.159 1.00 1.00 H new ATOM 0 HD11 ILE A 120 7.943 -36.014 -2.798 1.00 1.00 H new ATOM 0 HD12 ILE A 120 8.567 -37.422 -3.691 1.00 1.00 H new ATOM 0 HD13 ILE A 120 6.896 -36.869 -3.957 1.00 1.00 H new ATOM 1796 N LYS A 121 6.661 -42.538 -1.887 1.00 1.00 N ATOM 1797 CA LYS A 121 6.260 -43.937 -2.129 1.00 1.00 C ATOM 1798 C LYS A 121 5.503 -44.506 -0.926 1.00 1.00 C ATOM 1799 O LYS A 121 4.471 -45.153 -1.096 1.00 1.00 O ATOM 1800 CB LYS A 121 7.500 -44.787 -2.451 1.00 1.00 C ATOM 1801 CG LYS A 121 8.044 -44.503 -3.861 1.00 1.00 C ATOM 1802 CD LYS A 121 9.386 -45.211 -4.081 1.00 1.00 C ATOM 1803 CE LYS A 121 9.983 -44.937 -5.471 1.00 1.00 C ATOM 1804 NZ LYS A 121 9.228 -45.616 -6.560 1.00 1.00 N ATOM 0 H LYS A 121 7.671 -42.398 -1.917 1.00 1.00 H new ATOM 0 HA LYS A 121 5.585 -43.964 -2.985 1.00 1.00 H new ATOM 0 HB2 LYS A 121 8.278 -44.586 -1.715 1.00 1.00 H new ATOM 0 HB3 LYS A 121 7.247 -45.844 -2.366 1.00 1.00 H new ATOM 0 HG2 LYS A 121 7.324 -44.839 -4.608 1.00 1.00 H new ATOM 0 HG3 LYS A 121 8.168 -43.429 -3.998 1.00 1.00 H new ATOM 0 HD2 LYS A 121 10.092 -44.887 -3.317 1.00 1.00 H new ATOM 0 HD3 LYS A 121 9.250 -46.285 -3.954 1.00 1.00 H new ATOM 0 HE2 LYS A 121 9.991 -43.863 -5.654 1.00 1.00 H new ATOM 0 HE3 LYS A 121 11.020 -45.271 -5.490 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 9.670 -45.400 -7.476 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 9.242 -46.644 -6.403 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 8.244 -45.279 -6.563 1.00 1.00 H new ATOM 1818 N ASN A 122 5.968 -44.220 0.292 1.00 1.00 N ATOM 1819 CA ASN A 122 5.291 -44.648 1.518 1.00 1.00 C ATOM 1820 C ASN A 122 3.892 -44.026 1.682 1.00 1.00 C ATOM 1821 O ASN A 122 3.020 -44.704 2.218 1.00 1.00 O ATOM 1822 CB ASN A 122 6.190 -44.399 2.737 1.00 1.00 C ATOM 1823 CG ASN A 122 7.107 -45.578 3.006 1.00 1.00 C ATOM 1824 OD1 ASN A 122 6.739 -46.528 3.682 1.00 1.00 O ATOM 1825 ND2 ASN A 122 8.306 -45.577 2.476 1.00 1.00 N ATOM 0 H ASN A 122 6.822 -43.687 0.456 1.00 1.00 H new ATOM 0 HA ASN A 122 5.117 -45.721 1.439 1.00 1.00 H new ATOM 0 HB2 ASN A 122 6.788 -43.503 2.572 1.00 1.00 H new ATOM 0 HB3 ASN A 122 5.571 -44.212 3.614 1.00 1.00 H new ATOM 0 HD21 ASN A 122 8.931 -46.368 2.628 1.00 1.00 H new ATOM 0 HD22 ASN A 122 8.614 -44.785 1.912 1.00 1.00 H new