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 177:sc= 0.17 USER MOD Set 1.2: A 100 CYS SG : rot 156:sc= 0.244 USER MOD Set 1.3: A 113 HIS : no HE2:sc= 0.216 K(o=0.63,f=-0.33) USER MOD Set 1.4: A 119 HIS : no HD1:sc= 0 X(o=0.63,f=0.28) USER MOD Set 2.1: A 94 SER OG : rot -34:sc= 0.944 USER MOD Set 2.2: A 95 LYS NZ :NH3+ -171:sc= 0.982 (180deg=0) USER MOD Set 3.1: A 36 CYS SG : rot -139:sc= 0.204 USER MOD Set 3.2: A 39 CYS SG : rot 147:sc= 0.0424 USER MOD Set 3.3: A 52 HIS : no HE2:sc= -0.178 X(o=-0.075,f=-0.29) USER MOD Set 3.4: A 58 HIS : no HD1:sc= -0.143 X(o=-0.075,f=-0.5) USER MOD Set 4.1: A 47 SER OG : rot 180:sc= 0.377 USER MOD Set 4.2: A 48 GLN : amide:sc= 0.379 X(o=0.76,f=0.59) USER MOD Set 5.1: A 35 GLN : amide:sc= 1 K(o=2.2,f=-3.7) USER MOD Set 5.2: A 37 LYS NZ :NH3+ 158:sc= 1.2 (180deg=0) USER MOD Set 6.1: A 21 ASN : amide:sc= 0.776 K(o=4.2,f=-4.2!) USER MOD Set 6.2: A 49 LYS NZ :NH3+ -145:sc= 3.41 (180deg=0.962) USER MOD Single : A 17 LYS NZ :NH3+ -155:sc= 1.24 (180deg=1.15) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0.883 K(o=0.88,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= 0.346 K(o=0.35,f=-2.2!) USER MOD Single : A 32 SER OG : rot -46:sc= 0.951 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -14:sc= 0.119 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0.74 K(o=0.74,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 CYS SG : rot 29:sc= 0.149 USER MOD Single : A 101 ASN : amide:sc=-0.00543 K(o=-0.0054,f=-0.71) USER MOD Single : A 102 MET CE :methyl -162:sc= -0.0189 (180deg=-0.0303) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0.00282 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 79:sc=0.000966 USER MOD Single : A 114 TYR OH : rot 153:sc= 0.114 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= 0.739 K(o=0.74,f=-0.079) USER MOD ----------------------------------------------------------------- ATOM 188 N GLY A 16 -17.916 8.050 15.820 1.00 1.00 N ATOM 189 CA GLY A 16 -17.808 7.535 17.193 1.00 1.00 C ATOM 190 C GLY A 16 -16.777 6.412 17.336 1.00 1.00 C ATOM 191 O GLY A 16 -16.353 5.818 16.340 1.00 1.00 O ATOM 0 HA2 GLY A 16 -17.540 8.353 17.861 1.00 1.00 H new ATOM 0 HA3 GLY A 16 -18.783 7.168 17.514 1.00 1.00 H new ATOM 195 N LYS A 17 -16.374 6.106 18.579 1.00 1.00 N ATOM 196 CA LYS A 17 -15.365 5.068 18.881 1.00 1.00 C ATOM 197 C LYS A 17 -15.741 3.692 18.334 1.00 1.00 C ATOM 198 O LYS A 17 -14.901 3.009 17.755 1.00 1.00 O ATOM 199 CB LYS A 17 -15.091 4.967 20.392 1.00 1.00 C ATOM 200 CG LYS A 17 -14.666 6.307 21.016 1.00 1.00 C ATOM 201 CD LYS A 17 -13.586 6.148 22.096 1.00 1.00 C ATOM 202 CE LYS A 17 -14.029 5.328 23.301 1.00 1.00 C ATOM 203 NZ LYS A 17 -12.922 5.186 24.282 1.00 1.00 N ATOM 0 H LYS A 17 -16.738 6.572 19.410 1.00 1.00 H new ATOM 0 HA LYS A 17 -14.456 5.388 18.373 1.00 1.00 H new ATOM 0 HB2 LYS A 17 -15.988 4.606 20.895 1.00 1.00 H new ATOM 0 HB3 LYS A 17 -14.309 4.227 20.565 1.00 1.00 H new ATOM 0 HG2 LYS A 17 -14.294 6.965 20.231 1.00 1.00 H new ATOM 0 HG3 LYS A 17 -15.539 6.792 21.452 1.00 1.00 H new ATOM 0 HD2 LYS A 17 -12.709 5.677 21.652 1.00 1.00 H new ATOM 0 HD3 LYS A 17 -13.279 7.137 22.436 1.00 1.00 H new ATOM 0 HE2 LYS A 17 -14.884 5.808 23.778 1.00 1.00 H new ATOM 0 HE3 LYS A 17 -14.359 4.342 22.974 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 -13.069 4.327 24.849 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 -12.016 5.116 23.776 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 -12.905 6.016 24.909 1.00 1.00 H new ATOM 217 N ASP A 18 -17.005 3.305 18.487 1.00 1.00 N ATOM 218 CA ASP A 18 -17.538 2.026 17.997 1.00 1.00 C ATOM 219 C ASP A 18 -17.409 1.897 16.470 1.00 1.00 C ATOM 220 O ASP A 18 -16.986 0.854 15.968 1.00 1.00 O ATOM 221 CB ASP A 18 -19.004 1.874 18.423 1.00 1.00 C ATOM 222 CG ASP A 18 -19.154 1.765 19.949 1.00 1.00 C ATOM 223 OD1 ASP A 18 -18.970 0.652 20.498 1.00 1.00 O ATOM 224 OD2 ASP A 18 -19.457 2.792 20.602 1.00 1.00 O ATOM 0 H ASP A 18 -17.703 3.877 18.962 1.00 1.00 H new ATOM 0 HA ASP A 18 -16.946 1.226 18.441 1.00 1.00 H new ATOM 0 HB2 ASP A 18 -19.576 2.729 18.063 1.00 1.00 H new ATOM 0 HB3 ASP A 18 -19.428 0.986 17.953 1.00 1.00 H new ATOM 229 N ALA A 19 -17.718 2.968 15.727 1.00 1.00 N ATOM 230 CA ALA A 19 -17.581 2.993 14.271 1.00 1.00 C ATOM 231 C ALA A 19 -16.106 2.906 13.846 1.00 1.00 C ATOM 232 O ALA A 19 -15.781 2.137 12.944 1.00 1.00 O ATOM 233 CB ALA A 19 -18.261 4.249 13.715 1.00 1.00 C ATOM 0 H ALA A 19 -18.070 3.840 16.122 1.00 1.00 H new ATOM 0 HA ALA A 19 -18.077 2.117 13.853 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -18.159 4.268 12.630 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -19.318 4.238 13.980 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -17.790 5.136 14.139 1.00 1.00 H new ATOM 239 N VAL A 20 -15.203 3.642 14.512 1.00 1.00 N ATOM 240 CA VAL A 20 -13.754 3.580 14.232 1.00 1.00 C ATOM 241 C VAL A 20 -13.206 2.175 14.521 1.00 1.00 C ATOM 242 O VAL A 20 -12.502 1.613 13.685 1.00 1.00 O ATOM 243 CB VAL A 20 -12.979 4.662 15.013 1.00 1.00 C ATOM 244 CG1 VAL A 20 -11.460 4.499 14.863 1.00 1.00 C ATOM 245 CG2 VAL A 20 -13.343 6.063 14.503 1.00 1.00 C ATOM 0 H VAL A 20 -15.451 4.294 15.256 1.00 1.00 H new ATOM 0 HA VAL A 20 -13.608 3.786 13.172 1.00 1.00 H new ATOM 0 HB VAL A 20 -13.259 4.544 16.060 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -10.953 5.281 15.428 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -11.159 3.523 15.244 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -11.188 4.578 13.810 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -12.786 6.811 15.067 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -13.090 6.142 13.446 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -14.412 6.232 14.634 1.00 1.00 H new ATOM 255 N ASN A 21 -13.557 1.570 15.661 1.00 1.00 N ATOM 256 CA ASN A 21 -13.137 0.206 16.007 1.00 1.00 C ATOM 257 C ASN A 21 -13.642 -0.820 14.973 1.00 1.00 C ATOM 258 O ASN A 21 -12.875 -1.683 14.540 1.00 1.00 O ATOM 259 CB ASN A 21 -13.619 -0.141 17.429 1.00 1.00 C ATOM 260 CG ASN A 21 -12.855 0.578 18.533 1.00 1.00 C ATOM 261 OD1 ASN A 21 -11.714 0.995 18.385 1.00 1.00 O ATOM 262 ND2 ASN A 21 -13.445 0.720 19.699 1.00 1.00 N ATOM 0 H ASN A 21 -14.141 2.012 16.371 1.00 1.00 H new ATOM 0 HA ASN A 21 -12.048 0.161 15.988 1.00 1.00 H new ATOM 0 HB2 ASN A 21 -14.677 0.106 17.513 1.00 1.00 H new ATOM 0 HB3 ASN A 21 -13.529 -1.217 17.580 1.00 1.00 H new ATOM 0 HD21 ASN A 21 -12.952 1.174 20.468 1.00 1.00 H new ATOM 0 HD22 ASN A 21 -14.396 0.377 19.835 1.00 1.00 H new ATOM 269 N SER A 22 -14.904 -0.711 14.539 1.00 1.00 N ATOM 270 CA SER A 22 -15.483 -1.589 13.512 1.00 1.00 C ATOM 271 C SER A 22 -14.779 -1.412 12.157 1.00 1.00 C ATOM 272 O SER A 22 -14.400 -2.394 11.517 1.00 1.00 O ATOM 273 CB SER A 22 -16.983 -1.297 13.382 1.00 1.00 C ATOM 274 OG SER A 22 -17.597 -2.227 12.504 1.00 1.00 O ATOM 0 H SER A 22 -15.555 -0.009 14.891 1.00 1.00 H new ATOM 0 HA SER A 22 -15.338 -2.625 13.819 1.00 1.00 H new ATOM 0 HB2 SER A 22 -17.456 -1.348 14.363 1.00 1.00 H new ATOM 0 HB3 SER A 22 -17.131 -0.284 13.009 1.00 1.00 H new ATOM 0 HG SER A 22 -18.554 -2.028 12.433 1.00 1.00 H new ATOM 280 N LEU A 23 -14.521 -0.165 11.745 1.00 1.00 N ATOM 281 CA LEU A 23 -13.801 0.178 10.514 1.00 1.00 C ATOM 282 C LEU A 23 -12.384 -0.410 10.508 1.00 1.00 C ATOM 283 O LEU A 23 -11.961 -0.979 9.501 1.00 1.00 O ATOM 284 CB LEU A 23 -13.800 1.713 10.385 1.00 1.00 C ATOM 285 CG LEU A 23 -13.160 2.276 9.105 1.00 1.00 C ATOM 286 CD1 LEU A 23 -13.965 1.913 7.858 1.00 1.00 C ATOM 287 CD2 LEU A 23 -13.123 3.799 9.214 1.00 1.00 C ATOM 0 H LEU A 23 -14.816 0.656 12.274 1.00 1.00 H new ATOM 0 HA LEU A 23 -14.300 -0.259 9.649 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -14.831 2.064 10.438 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -13.276 2.131 11.245 1.00 1.00 H new ATOM 0 HG LEU A 23 -12.162 1.849 9.010 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -13.478 2.330 6.976 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -14.020 0.829 7.763 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -14.972 2.321 7.944 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -12.672 4.217 8.314 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -14.138 4.181 9.322 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -12.533 4.087 10.084 1.00 1.00 H new ATOM 299 N ILE A 24 -11.671 -0.319 11.637 1.00 1.00 N ATOM 300 CA ILE A 24 -10.338 -0.909 11.817 1.00 1.00 C ATOM 301 C ILE A 24 -10.420 -2.441 11.701 1.00 1.00 C ATOM 302 O ILE A 24 -9.656 -3.039 10.945 1.00 1.00 O ATOM 303 CB ILE A 24 -9.740 -0.469 13.177 1.00 1.00 C ATOM 304 CG1 ILE A 24 -9.326 1.020 13.137 1.00 1.00 C ATOM 305 CG2 ILE A 24 -8.527 -1.335 13.560 1.00 1.00 C ATOM 306 CD1 ILE A 24 -9.080 1.610 14.535 1.00 1.00 C ATOM 0 H ILE A 24 -12.008 0.174 12.464 1.00 1.00 H new ATOM 0 HA ILE A 24 -9.673 -0.550 11.031 1.00 1.00 H new ATOM 0 HB ILE A 24 -10.514 -0.603 13.933 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -8.420 1.124 12.540 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -10.105 1.595 12.637 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -8.130 -1.001 14.519 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -8.834 -2.378 13.638 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -7.756 -1.240 12.795 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -8.793 2.657 14.442 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -9.992 1.535 15.127 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -8.281 1.057 15.028 1.00 1.00 H new ATOM 318 N ARG A 25 -11.350 -3.083 12.427 1.00 1.00 N ATOM 319 CA ARG A 25 -11.530 -4.545 12.435 1.00 1.00 C ATOM 320 C ARG A 25 -11.877 -5.132 11.064 1.00 1.00 C ATOM 321 O ARG A 25 -11.335 -6.177 10.704 1.00 1.00 O ATOM 322 CB ARG A 25 -12.568 -4.927 13.506 1.00 1.00 C ATOM 323 CG ARG A 25 -12.836 -6.436 13.589 1.00 1.00 C ATOM 324 CD ARG A 25 -11.593 -7.282 13.911 1.00 1.00 C ATOM 325 NE ARG A 25 -11.876 -8.725 13.789 1.00 1.00 N ATOM 326 CZ ARG A 25 -11.847 -9.453 12.684 1.00 1.00 C ATOM 327 NH1 ARG A 25 -11.585 -8.949 11.509 1.00 1.00 N ATOM 328 NH2 ARG A 25 -12.086 -10.732 12.740 1.00 1.00 N ATOM 0 H ARG A 25 -12.008 -2.594 13.034 1.00 1.00 H new ATOM 0 HA ARG A 25 -10.568 -4.991 12.688 1.00 1.00 H new ATOM 0 HB2 ARG A 25 -12.223 -4.573 14.478 1.00 1.00 H new ATOM 0 HB3 ARG A 25 -13.504 -4.411 13.293 1.00 1.00 H new ATOM 0 HG2 ARG A 25 -13.592 -6.617 14.352 1.00 1.00 H new ATOM 0 HG3 ARG A 25 -13.254 -6.772 12.640 1.00 1.00 H new ATOM 0 HD2 ARG A 25 -10.782 -7.011 13.236 1.00 1.00 H new ATOM 0 HD3 ARG A 25 -11.253 -7.061 14.923 1.00 1.00 H new ATOM 0 HE ARG A 25 -12.121 -9.215 14.650 1.00 1.00 H new ATOM 0 HH11 ARG A 25 -11.391 -7.952 11.413 1.00 1.00 H new ATOM 0 HH12 ARG A 25 -11.574 -9.552 10.686 1.00 1.00 H new ATOM 0 HH21 ARG A 25 -12.296 -11.173 13.636 1.00 1.00 H new ATOM 0 HH22 ARG A 25 -12.064 -11.293 11.888 1.00 1.00 H new ATOM 342 N GLU A 26 -12.759 -4.486 10.304 1.00 1.00 N ATOM 343 CA GLU A 26 -13.176 -4.943 8.968 1.00 1.00 C ATOM 344 C GLU A 26 -12.120 -4.689 7.872 1.00 1.00 C ATOM 345 O GLU A 26 -12.222 -5.249 6.778 1.00 1.00 O ATOM 346 CB GLU A 26 -14.517 -4.292 8.587 1.00 1.00 C ATOM 347 CG GLU A 26 -15.700 -4.764 9.449 1.00 1.00 C ATOM 348 CD GLU A 26 -16.004 -6.264 9.255 1.00 1.00 C ATOM 349 OE1 GLU A 26 -16.732 -6.626 8.298 1.00 1.00 O ATOM 350 OE2 GLU A 26 -15.526 -7.095 10.065 1.00 1.00 O ATOM 0 H GLU A 26 -13.213 -3.620 10.596 1.00 1.00 H new ATOM 0 HA GLU A 26 -13.292 -6.025 9.029 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -14.423 -3.210 8.675 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -14.732 -4.509 7.541 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -15.480 -4.573 10.499 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -16.586 -4.181 9.197 1.00 1.00 H new ATOM 357 N ASN A 27 -11.095 -3.876 8.157 1.00 1.00 N ATOM 358 CA ASN A 27 -10.001 -3.529 7.237 1.00 1.00 C ATOM 359 C ASN A 27 -8.614 -3.763 7.878 1.00 1.00 C ATOM 360 O ASN A 27 -7.668 -3.002 7.649 1.00 1.00 O ATOM 361 CB ASN A 27 -10.194 -2.084 6.755 1.00 1.00 C ATOM 362 CG ASN A 27 -11.498 -1.861 6.013 1.00 1.00 C ATOM 363 OD1 ASN A 27 -11.622 -2.137 4.827 1.00 1.00 O ATOM 364 ND2 ASN A 27 -12.501 -1.353 6.689 1.00 1.00 N ATOM 0 H ASN A 27 -11.000 -3.425 9.067 1.00 1.00 H new ATOM 0 HA ASN A 27 -10.034 -4.190 6.371 1.00 1.00 H new ATOM 0 HB2 ASN A 27 -10.156 -1.415 7.615 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -9.364 -1.813 6.103 1.00 1.00 H new ATOM 0 HD21 ASN A 27 -13.394 -1.185 6.227 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -12.387 -1.126 7.677 1.00 1.00 H new ATOM 371 N SER A 28 -8.487 -4.810 8.701 1.00 1.00 N ATOM 372 CA SER A 28 -7.261 -5.183 9.433 1.00 1.00 C ATOM 373 C SER A 28 -5.999 -5.355 8.566 1.00 1.00 C ATOM 374 O SER A 28 -4.878 -5.303 9.080 1.00 1.00 O ATOM 375 CB SER A 28 -7.516 -6.452 10.254 1.00 1.00 C ATOM 376 OG SER A 28 -7.891 -7.532 9.410 1.00 1.00 O ATOM 0 H SER A 28 -9.261 -5.448 8.886 1.00 1.00 H new ATOM 0 HA SER A 28 -7.041 -4.334 10.080 1.00 1.00 H new ATOM 0 HB2 SER A 28 -6.618 -6.716 10.812 1.00 1.00 H new ATOM 0 HB3 SER A 28 -8.303 -6.266 10.985 1.00 1.00 H new ATOM 0 HG SER A 28 -8.047 -8.333 9.953 1.00 1.00 H new ATOM 382 N HIS A 29 -6.156 -5.528 7.250 1.00 1.00 N ATOM 383 CA HIS A 29 -5.073 -5.638 6.265 1.00 1.00 C ATOM 384 C HIS A 29 -4.397 -4.291 5.934 1.00 1.00 C ATOM 385 O HIS A 29 -3.301 -4.290 5.370 1.00 1.00 O ATOM 386 CB HIS A 29 -5.633 -6.291 4.989 1.00 1.00 C ATOM 387 CG HIS A 29 -6.726 -5.506 4.295 1.00 1.00 C ATOM 388 ND1 HIS A 29 -7.981 -5.196 4.834 1.00 1.00 N ATOM 389 CD2 HIS A 29 -6.663 -5.015 3.024 1.00 1.00 C ATOM 390 CE1 HIS A 29 -8.639 -4.522 3.875 1.00 1.00 C ATOM 391 NE2 HIS A 29 -7.870 -4.396 2.779 1.00 1.00 N ATOM 0 H HIS A 29 -7.080 -5.598 6.823 1.00 1.00 H new ATOM 0 HA HIS A 29 -4.290 -6.256 6.705 1.00 1.00 H new ATOM 0 HB2 HIS A 29 -4.813 -6.442 4.287 1.00 1.00 H new ATOM 0 HB3 HIS A 29 -6.021 -7.277 5.244 1.00 1.00 H new ATOM 0 HD2 HIS A 29 -5.829 -5.096 2.342 1.00 1.00 H new ATOM 0 HE1 HIS A 29 -9.643 -4.136 3.971 1.00 1.00 H new ATOM 0 HE2 HIS A 29 -8.135 -3.923 1.915 1.00 1.00 H new ATOM 399 N ILE A 30 -5.025 -3.157 6.279 1.00 1.00 N ATOM 400 CA ILE A 30 -4.529 -1.789 6.011 1.00 1.00 C ATOM 401 C ILE A 30 -4.674 -0.807 7.188 1.00 1.00 C ATOM 402 O ILE A 30 -3.932 0.177 7.247 1.00 1.00 O ATOM 403 CB ILE A 30 -5.198 -1.193 4.747 1.00 1.00 C ATOM 404 CG1 ILE A 30 -6.741 -1.284 4.790 1.00 1.00 C ATOM 405 CG2 ILE A 30 -4.613 -1.836 3.480 1.00 1.00 C ATOM 406 CD1 ILE A 30 -7.456 -0.587 3.626 1.00 1.00 C ATOM 0 H ILE A 30 -5.920 -3.161 6.768 1.00 1.00 H new ATOM 0 HA ILE A 30 -3.458 -1.911 5.850 1.00 1.00 H new ATOM 0 HB ILE A 30 -4.969 -0.128 4.723 1.00 1.00 H new ATOM 0 HG12 ILE A 30 -7.029 -2.335 4.799 1.00 1.00 H new ATOM 0 HG13 ILE A 30 -7.091 -0.850 5.726 1.00 1.00 H new ATOM 0 HG21 ILE A 30 -5.093 -1.408 2.600 1.00 1.00 H new ATOM 0 HG22 ILE A 30 -3.541 -1.646 3.438 1.00 1.00 H new ATOM 0 HG23 ILE A 30 -4.790 -2.911 3.503 1.00 1.00 H new ATOM 0 HD11 ILE A 30 -8.534 -0.703 3.739 1.00 1.00 H new ATOM 0 HD12 ILE A 30 -7.203 0.473 3.626 1.00 1.00 H new ATOM 0 HD13 ILE A 30 -7.140 -1.035 2.684 1.00 1.00 H new ATOM 418 N PHE A 31 -5.579 -1.060 8.135 1.00 1.00 N ATOM 419 CA PHE A 31 -5.818 -0.237 9.328 1.00 1.00 C ATOM 420 C PHE A 31 -5.568 -1.074 10.595 1.00 1.00 C ATOM 421 O PHE A 31 -5.704 -2.300 10.579 1.00 1.00 O ATOM 422 CB PHE A 31 -7.279 0.262 9.352 1.00 1.00 C ATOM 423 CG PHE A 31 -7.847 0.994 8.141 1.00 1.00 C ATOM 424 CD1 PHE A 31 -7.035 1.620 7.174 1.00 1.00 C ATOM 425 CD2 PHE A 31 -9.246 1.024 7.983 1.00 1.00 C ATOM 426 CE1 PHE A 31 -7.613 2.162 6.010 1.00 1.00 C ATOM 427 CE2 PHE A 31 -9.825 1.573 6.826 1.00 1.00 C ATOM 428 CZ PHE A 31 -9.005 2.117 5.826 1.00 1.00 C ATOM 0 H PHE A 31 -6.191 -1.875 8.093 1.00 1.00 H new ATOM 0 HA PHE A 31 -5.140 0.616 9.299 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -7.916 -0.603 9.538 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.383 0.925 10.211 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -5.968 1.684 7.326 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -9.880 0.621 8.759 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -6.984 2.614 5.257 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -10.898 1.576 6.707 1.00 1.00 H new ATOM 0 HZ PHE A 31 -9.443 2.500 4.916 1.00 1.00 H new ATOM 438 N SER A 32 -5.231 -0.424 11.709 1.00 1.00 N ATOM 439 CA SER A 32 -5.001 -1.084 13.003 1.00 1.00 C ATOM 440 C SER A 32 -5.209 -0.118 14.173 1.00 1.00 C ATOM 441 O SER A 32 -5.339 1.094 13.995 1.00 1.00 O ATOM 442 CB SER A 32 -3.598 -1.704 13.054 1.00 1.00 C ATOM 443 OG SER A 32 -2.603 -0.703 13.094 1.00 1.00 O ATOM 0 H SER A 32 -5.108 0.588 11.743 1.00 1.00 H new ATOM 0 HA SER A 32 -5.736 -1.883 13.101 1.00 1.00 H new ATOM 0 HB2 SER A 32 -3.511 -2.343 13.932 1.00 1.00 H new ATOM 0 HB3 SER A 32 -3.445 -2.339 12.181 1.00 1.00 H new ATOM 0 HG SER A 32 -2.803 -0.016 12.425 1.00 1.00 H new ATOM 449 N ASP A 33 -5.225 -0.654 15.395 1.00 1.00 N ATOM 450 CA ASP A 33 -5.390 0.119 16.632 1.00 1.00 C ATOM 451 C ASP A 33 -4.276 1.168 16.866 1.00 1.00 C ATOM 452 O ASP A 33 -4.469 2.096 17.654 1.00 1.00 O ATOM 453 CB ASP A 33 -5.448 -0.880 17.797 1.00 1.00 C ATOM 454 CG ASP A 33 -5.870 -0.225 19.119 1.00 1.00 C ATOM 455 OD1 ASP A 33 -6.997 0.322 19.171 1.00 1.00 O ATOM 456 OD2 ASP A 33 -5.107 -0.299 20.112 1.00 1.00 O ATOM 0 H ASP A 33 -5.122 -1.656 15.558 1.00 1.00 H new ATOM 0 HA ASP A 33 -6.310 0.698 16.554 1.00 1.00 H new ATOM 0 HB2 ASP A 33 -6.149 -1.678 17.552 1.00 1.00 H new ATOM 0 HB3 ASP A 33 -4.469 -1.343 17.922 1.00 1.00 H new ATOM 461 N THR A 34 -3.118 1.030 16.199 1.00 1.00 N ATOM 462 CA THR A 34 -1.941 1.908 16.369 1.00 1.00 C ATOM 463 C THR A 34 -1.241 2.358 15.074 1.00 1.00 C ATOM 464 O THR A 34 -0.199 3.012 15.153 1.00 1.00 O ATOM 465 CB THR A 34 -0.902 1.262 17.308 1.00 1.00 C ATOM 466 OG1 THR A 34 -0.514 -0.008 16.817 1.00 1.00 O ATOM 467 CG2 THR A 34 -1.425 1.070 18.735 1.00 1.00 C ATOM 0 H THR A 34 -2.968 0.291 15.512 1.00 1.00 H new ATOM 0 HA THR A 34 -2.359 2.815 16.806 1.00 1.00 H new ATOM 0 HB THR A 34 -0.057 1.950 17.336 1.00 1.00 H new ATOM 0 HG1 THR A 34 0.147 -0.405 17.422 1.00 1.00 H new ATOM 0 HG21 THR A 34 -0.649 0.612 19.348 1.00 1.00 H new ATOM 0 HG22 THR A 34 -1.696 2.038 19.157 1.00 1.00 H new ATOM 0 HG23 THR A 34 -2.302 0.424 18.717 1.00 1.00 H new ATOM 475 N GLN A 35 -1.764 2.060 13.877 1.00 1.00 N ATOM 476 CA GLN A 35 -1.151 2.465 12.597 1.00 1.00 C ATOM 477 C GLN A 35 -2.129 2.400 11.406 1.00 1.00 C ATOM 478 O GLN A 35 -2.925 1.466 11.298 1.00 1.00 O ATOM 479 CB GLN A 35 0.043 1.522 12.310 1.00 1.00 C ATOM 480 CG GLN A 35 0.947 1.955 11.142 1.00 1.00 C ATOM 481 CD GLN A 35 1.921 0.847 10.749 1.00 1.00 C ATOM 482 OE1 GLN A 35 1.547 -0.147 10.137 1.00 1.00 O ATOM 483 NE2 GLN A 35 3.192 0.961 11.069 1.00 1.00 N ATOM 0 H GLN A 35 -2.628 1.529 13.765 1.00 1.00 H new ATOM 0 HA GLN A 35 -0.839 3.504 12.698 1.00 1.00 H new ATOM 0 HB2 GLN A 35 0.651 1.445 13.211 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -0.343 0.525 12.100 1.00 1.00 H new ATOM 0 HG2 GLN A 35 0.331 2.221 10.283 1.00 1.00 H new ATOM 0 HG3 GLN A 35 1.505 2.848 11.424 1.00 1.00 H new ATOM 0 HE21 GLN A 35 3.518 1.782 11.578 1.00 1.00 H new ATOM 0 HE22 GLN A 35 3.851 0.228 10.808 1.00 1.00 H new ATOM 492 N CYS A 36 -1.994 3.337 10.462 1.00 1.00 N ATOM 493 CA CYS A 36 -2.723 3.360 9.187 1.00 1.00 C ATOM 494 C CYS A 36 -1.728 3.247 8.019 1.00 1.00 C ATOM 495 O CYS A 36 -0.916 4.152 7.806 1.00 1.00 O ATOM 496 CB CYS A 36 -3.535 4.656 9.060 1.00 1.00 C ATOM 497 SG CYS A 36 -4.456 4.741 7.503 1.00 1.00 S ATOM 0 H CYS A 36 -1.355 4.125 10.566 1.00 1.00 H new ATOM 0 HA CYS A 36 -3.410 2.514 9.158 1.00 1.00 H new ATOM 0 HB2 CYS A 36 -4.231 4.729 9.896 1.00 1.00 H new ATOM 0 HB3 CYS A 36 -2.863 5.511 9.129 1.00 1.00 H new ATOM 0 HG CYS A 36 -4.387 5.947 7.023 1.00 1.00 H new ATOM 502 N LYS A 37 -1.781 2.155 7.241 1.00 1.00 N ATOM 503 CA LYS A 37 -0.879 1.928 6.093 1.00 1.00 C ATOM 504 C LYS A 37 -1.251 2.736 4.845 1.00 1.00 C ATOM 505 O LYS A 37 -0.351 3.163 4.126 1.00 1.00 O ATOM 506 CB LYS A 37 -0.798 0.428 5.776 1.00 1.00 C ATOM 507 CG LYS A 37 -0.038 -0.318 6.885 1.00 1.00 C ATOM 508 CD LYS A 37 0.075 -1.805 6.536 1.00 1.00 C ATOM 509 CE LYS A 37 1.045 -2.580 7.443 1.00 1.00 C ATOM 510 NZ LYS A 37 0.666 -2.527 8.880 1.00 1.00 N ATOM 0 H LYS A 37 -2.451 1.400 7.388 1.00 1.00 H new ATOM 0 HA LYS A 37 0.104 2.292 6.392 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -1.803 0.017 5.676 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -0.296 0.279 4.820 1.00 1.00 H new ATOM 0 HG2 LYS A 37 0.956 0.111 7.008 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -0.557 -0.198 7.836 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -0.913 -2.261 6.602 1.00 1.00 H new ATOM 0 HD3 LYS A 37 0.403 -1.902 5.501 1.00 1.00 H new ATOM 0 HE2 LYS A 37 1.082 -3.621 7.121 1.00 1.00 H new ATOM 0 HE3 LYS A 37 2.049 -2.174 7.323 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 1.096 -3.330 9.382 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 1.005 -1.636 9.296 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -0.369 -2.578 8.968 1.00 1.00 H new ATOM 524 N VAL A 38 -2.542 3.010 4.608 1.00 1.00 N ATOM 525 CA VAL A 38 -3.016 3.846 3.472 1.00 1.00 C ATOM 526 C VAL A 38 -2.433 5.262 3.527 1.00 1.00 C ATOM 527 O VAL A 38 -2.116 5.855 2.494 1.00 1.00 O ATOM 528 CB VAL A 38 -4.559 3.905 3.442 1.00 1.00 C ATOM 529 CG1 VAL A 38 -5.124 4.993 2.522 1.00 1.00 C ATOM 530 CG2 VAL A 38 -5.110 2.560 2.961 1.00 1.00 C ATOM 0 H VAL A 38 -3.298 2.661 5.196 1.00 1.00 H new ATOM 0 HA VAL A 38 -2.663 3.375 2.555 1.00 1.00 H new ATOM 0 HB VAL A 38 -4.867 4.140 4.461 1.00 1.00 H new ATOM 0 HG11 VAL A 38 -6.213 4.969 2.557 1.00 1.00 H new ATOM 0 HG12 VAL A 38 -4.772 5.970 2.854 1.00 1.00 H new ATOM 0 HG13 VAL A 38 -4.789 4.815 1.500 1.00 1.00 H new ATOM 0 HG21 VAL A 38 -6.199 2.600 2.939 1.00 1.00 H new ATOM 0 HG22 VAL A 38 -4.734 2.350 1.959 1.00 1.00 H new ATOM 0 HG23 VAL A 38 -4.789 1.771 3.641 1.00 1.00 H new ATOM 540 N CYS A 39 -2.275 5.795 4.740 1.00 1.00 N ATOM 541 CA CYS A 39 -1.731 7.117 5.021 1.00 1.00 C ATOM 542 C CYS A 39 -0.290 7.050 5.579 1.00 1.00 C ATOM 543 O CYS A 39 0.259 8.073 5.992 1.00 1.00 O ATOM 544 CB CYS A 39 -2.711 7.788 5.983 1.00 1.00 C ATOM 545 SG CYS A 39 -4.412 7.876 5.348 1.00 1.00 S ATOM 0 H CYS A 39 -2.535 5.292 5.588 1.00 1.00 H new ATOM 0 HA CYS A 39 -1.636 7.703 4.107 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -2.712 7.242 6.926 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -2.361 8.797 6.200 1.00 1.00 H new ATOM 0 HG CYS A 39 -5.250 7.772 6.336 1.00 1.00 H new ATOM 550 N SER A 40 0.305 5.848 5.585 1.00 1.00 N ATOM 551 CA SER A 40 1.645 5.481 6.079 1.00 1.00 C ATOM 552 C SER A 40 2.070 6.248 7.341 1.00 1.00 C ATOM 553 O SER A 40 3.120 6.896 7.382 1.00 1.00 O ATOM 554 CB SER A 40 2.692 5.586 4.956 1.00 1.00 C ATOM 555 OG SER A 40 2.278 4.922 3.769 1.00 1.00 O ATOM 0 H SER A 40 -0.181 5.033 5.211 1.00 1.00 H new ATOM 0 HA SER A 40 1.583 4.438 6.390 1.00 1.00 H new ATOM 0 HB2 SER A 40 2.881 6.637 4.735 1.00 1.00 H new ATOM 0 HB3 SER A 40 3.634 5.158 5.299 1.00 1.00 H new ATOM 0 HG SER A 40 1.516 4.339 3.969 1.00 1.00 H new ATOM 561 N ALA A 41 1.219 6.189 8.368 1.00 1.00 N ATOM 562 CA ALA A 41 1.393 6.910 9.631 1.00 1.00 C ATOM 563 C ALA A 41 1.065 6.066 10.874 1.00 1.00 C ATOM 564 O ALA A 41 0.185 5.201 10.856 1.00 1.00 O ATOM 565 CB ALA A 41 0.518 8.171 9.582 1.00 1.00 C ATOM 0 H ALA A 41 0.369 5.625 8.344 1.00 1.00 H new ATOM 0 HA ALA A 41 2.447 7.167 9.731 1.00 1.00 H new ATOM 0 HB1 ALA A 41 0.629 8.727 10.513 1.00 1.00 H new ATOM 0 HB2 ALA A 41 0.829 8.797 8.746 1.00 1.00 H new ATOM 0 HB3 ALA A 41 -0.526 7.885 9.453 1.00 1.00 H new ATOM 571 N VAL A 42 1.762 6.361 11.976 1.00 1.00 N ATOM 572 CA VAL A 42 1.577 5.724 13.290 1.00 1.00 C ATOM 573 C VAL A 42 0.542 6.517 14.100 1.00 1.00 C ATOM 574 O VAL A 42 0.422 7.738 13.970 1.00 1.00 O ATOM 575 CB VAL A 42 2.928 5.622 14.037 1.00 1.00 C ATOM 576 CG1 VAL A 42 2.814 4.929 15.401 1.00 1.00 C ATOM 577 CG2 VAL A 42 3.945 4.813 13.217 1.00 1.00 C ATOM 0 H VAL A 42 2.494 7.071 11.981 1.00 1.00 H new ATOM 0 HA VAL A 42 1.204 4.709 13.155 1.00 1.00 H new ATOM 0 HB VAL A 42 3.251 6.653 14.181 1.00 1.00 H new ATOM 0 HG11 VAL A 42 3.796 4.890 15.872 1.00 1.00 H new ATOM 0 HG12 VAL A 42 2.128 5.488 16.037 1.00 1.00 H new ATOM 0 HG13 VAL A 42 2.437 3.916 15.264 1.00 1.00 H new ATOM 0 HG21 VAL A 42 4.887 4.754 13.762 1.00 1.00 H new ATOM 0 HG22 VAL A 42 3.560 3.807 13.049 1.00 1.00 H new ATOM 0 HG23 VAL A 42 4.111 5.303 12.257 1.00 1.00 H new ATOM 587 N LEU A 43 -0.213 5.811 14.940 1.00 1.00 N ATOM 588 CA LEU A 43 -1.310 6.305 15.775 1.00 1.00 C ATOM 589 C LEU A 43 -1.034 5.897 17.233 1.00 1.00 C ATOM 590 O LEU A 43 -1.621 4.957 17.766 1.00 1.00 O ATOM 591 CB LEU A 43 -2.643 5.766 15.200 1.00 1.00 C ATOM 592 CG LEU A 43 -2.911 6.159 13.731 1.00 1.00 C ATOM 593 CD1 LEU A 43 -4.089 5.371 13.162 1.00 1.00 C ATOM 594 CD2 LEU A 43 -3.200 7.654 13.595 1.00 1.00 C ATOM 0 H LEU A 43 -0.065 4.809 15.065 1.00 1.00 H new ATOM 0 HA LEU A 43 -1.387 7.392 15.768 1.00 1.00 H new ATOM 0 HB2 LEU A 43 -2.645 4.679 15.278 1.00 1.00 H new ATOM 0 HB3 LEU A 43 -3.464 6.131 15.816 1.00 1.00 H new ATOM 0 HG LEU A 43 -2.008 5.921 13.169 1.00 1.00 H new ATOM 0 HD11 LEU A 43 -4.258 5.666 12.126 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -3.868 4.305 13.204 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -4.984 5.579 13.749 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -3.384 7.895 12.548 1.00 1.00 H new ATOM 0 HD22 LEU A 43 -4.079 7.910 14.186 1.00 1.00 H new ATOM 0 HD23 LEU A 43 -2.343 8.224 13.954 1.00 1.00 H new ATOM 606 N ILE A 44 -0.066 6.582 17.852 1.00 1.00 N ATOM 607 CA ILE A 44 0.474 6.328 19.208 1.00 1.00 C ATOM 608 C ILE A 44 -0.542 6.245 20.369 1.00 1.00 C ATOM 609 O ILE A 44 -0.190 5.769 21.450 1.00 1.00 O ATOM 610 CB ILE A 44 1.589 7.347 19.546 1.00 1.00 C ATOM 611 CG1 ILE A 44 1.059 8.801 19.575 1.00 1.00 C ATOM 612 CG2 ILE A 44 2.769 7.192 18.569 1.00 1.00 C ATOM 613 CD1 ILE A 44 2.078 9.821 20.100 1.00 1.00 C ATOM 0 H ILE A 44 0.392 7.374 17.402 1.00 1.00 H new ATOM 0 HA ILE A 44 0.868 5.314 19.137 1.00 1.00 H new ATOM 0 HB ILE A 44 1.947 7.129 20.552 1.00 1.00 H new ATOM 0 HG12 ILE A 44 0.757 9.088 18.568 1.00 1.00 H new ATOM 0 HG13 ILE A 44 0.166 8.840 20.198 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.546 7.915 18.819 1.00 1.00 H new ATOM 0 HG22 ILE A 44 3.174 6.183 18.645 1.00 1.00 H new ATOM 0 HG23 ILE A 44 2.423 7.368 17.550 1.00 1.00 H new ATOM 0 HD11 ILE A 44 1.634 10.817 20.090 1.00 1.00 H new ATOM 0 HD12 ILE A 44 2.362 9.560 21.119 1.00 1.00 H new ATOM 0 HD13 ILE A 44 2.963 9.812 19.463 1.00 1.00 H new ATOM 625 N SER A 45 -1.790 6.679 20.170 1.00 1.00 N ATOM 626 CA SER A 45 -2.871 6.628 21.164 1.00 1.00 C ATOM 627 C SER A 45 -4.240 6.576 20.481 1.00 1.00 C ATOM 628 O SER A 45 -4.387 6.995 19.329 1.00 1.00 O ATOM 629 CB SER A 45 -2.799 7.864 22.071 1.00 1.00 C ATOM 630 OG SER A 45 -3.686 7.727 23.171 1.00 1.00 O ATOM 0 H SER A 45 -2.087 7.089 19.285 1.00 1.00 H new ATOM 0 HA SER A 45 -2.746 5.724 21.760 1.00 1.00 H new ATOM 0 HB2 SER A 45 -1.780 7.998 22.433 1.00 1.00 H new ATOM 0 HB3 SER A 45 -3.054 8.757 21.500 1.00 1.00 H new ATOM 0 HG SER A 45 -3.627 8.523 23.740 1.00 1.00 H new ATOM 636 N GLU A 46 -5.265 6.112 21.201 1.00 1.00 N ATOM 637 CA GLU A 46 -6.648 6.065 20.712 1.00 1.00 C ATOM 638 C GLU A 46 -7.141 7.452 20.279 1.00 1.00 C ATOM 639 O GLU A 46 -7.814 7.554 19.261 1.00 1.00 O ATOM 640 CB GLU A 46 -7.556 5.420 21.772 1.00 1.00 C ATOM 641 CG GLU A 46 -9.013 5.322 21.299 1.00 1.00 C ATOM 642 CD GLU A 46 -9.787 4.227 22.046 1.00 1.00 C ATOM 643 OE1 GLU A 46 -9.695 3.051 21.619 1.00 1.00 O ATOM 644 OE2 GLU A 46 -10.509 4.536 23.025 1.00 1.00 O ATOM 0 H GLU A 46 -5.158 5.754 22.150 1.00 1.00 H new ATOM 0 HA GLU A 46 -6.685 5.442 19.819 1.00 1.00 H new ATOM 0 HB2 GLU A 46 -7.184 4.423 22.010 1.00 1.00 H new ATOM 0 HB3 GLU A 46 -7.512 6.004 22.691 1.00 1.00 H new ATOM 0 HG2 GLU A 46 -9.508 6.282 21.448 1.00 1.00 H new ATOM 0 HG3 GLU A 46 -9.034 5.115 20.229 1.00 1.00 H new ATOM 651 N SER A 47 -6.758 8.535 20.964 1.00 1.00 N ATOM 652 CA SER A 47 -7.127 9.901 20.554 1.00 1.00 C ATOM 653 C SER A 47 -6.632 10.253 19.145 1.00 1.00 C ATOM 654 O SER A 47 -7.353 10.886 18.370 1.00 1.00 O ATOM 655 CB SER A 47 -6.598 10.923 21.560 1.00 1.00 C ATOM 656 OG SER A 47 -5.177 10.878 21.638 1.00 1.00 O ATOM 0 H SER A 47 -6.189 8.495 21.810 1.00 1.00 H new ATOM 0 HA SER A 47 -8.216 9.936 20.532 1.00 1.00 H new ATOM 0 HB2 SER A 47 -6.918 11.924 21.269 1.00 1.00 H new ATOM 0 HB3 SER A 47 -7.026 10.725 22.543 1.00 1.00 H new ATOM 0 HG SER A 47 -4.864 11.542 22.287 1.00 1.00 H new ATOM 662 N GLN A 48 -5.426 9.796 18.781 1.00 1.00 N ATOM 663 CA GLN A 48 -4.853 9.999 17.449 1.00 1.00 C ATOM 664 C GLN A 48 -5.604 9.146 16.424 1.00 1.00 C ATOM 665 O GLN A 48 -5.978 9.646 15.364 1.00 1.00 O ATOM 666 CB GLN A 48 -3.351 9.654 17.423 1.00 1.00 C ATOM 667 CG GLN A 48 -2.520 10.314 18.533 1.00 1.00 C ATOM 668 CD GLN A 48 -2.710 11.829 18.617 1.00 1.00 C ATOM 669 OE1 GLN A 48 -2.186 12.594 17.817 1.00 1.00 O ATOM 670 NE2 GLN A 48 -3.468 12.327 19.574 1.00 1.00 N ATOM 0 H GLN A 48 -4.818 9.271 19.410 1.00 1.00 H new ATOM 0 HA GLN A 48 -4.959 11.053 17.193 1.00 1.00 H new ATOM 0 HB2 GLN A 48 -3.240 8.572 17.499 1.00 1.00 H new ATOM 0 HB3 GLN A 48 -2.941 9.949 16.457 1.00 1.00 H new ATOM 0 HG2 GLN A 48 -2.788 9.868 19.491 1.00 1.00 H new ATOM 0 HG3 GLN A 48 -1.465 10.097 18.365 1.00 1.00 H new ATOM 0 HE21 GLN A 48 -3.912 11.704 20.249 1.00 1.00 H new ATOM 0 HE22 GLN A 48 -3.610 13.335 19.639 1.00 1.00 H new ATOM 679 N LYS A 49 -5.871 7.874 16.757 1.00 1.00 N ATOM 680 CA LYS A 49 -6.628 6.941 15.906 1.00 1.00 C ATOM 681 C LYS A 49 -8.034 7.482 15.607 1.00 1.00 C ATOM 682 O LYS A 49 -8.445 7.529 14.451 1.00 1.00 O ATOM 683 CB LYS A 49 -6.574 5.517 16.526 1.00 1.00 C ATOM 684 CG LYS A 49 -7.914 4.895 16.954 1.00 1.00 C ATOM 685 CD LYS A 49 -7.750 3.552 17.680 1.00 1.00 C ATOM 686 CE LYS A 49 -9.153 3.075 18.061 1.00 1.00 C ATOM 687 NZ LYS A 49 -9.160 2.007 19.086 1.00 1.00 N ATOM 0 H LYS A 49 -5.564 7.458 17.636 1.00 1.00 H new ATOM 0 HA LYS A 49 -6.167 6.853 14.922 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -6.105 4.849 15.803 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -5.921 5.551 17.398 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -8.439 5.592 17.607 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -8.539 4.751 16.073 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -7.257 2.824 17.037 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -7.128 3.667 18.567 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -9.728 3.924 18.430 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -9.659 2.711 17.167 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -9.942 1.348 18.895 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -8.257 1.491 19.056 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -9.286 2.430 20.028 1.00 1.00 H new ATOM 701 N LEU A 50 -8.741 7.954 16.634 1.00 1.00 N ATOM 702 CA LEU A 50 -10.079 8.539 16.524 1.00 1.00 C ATOM 703 C LEU A 50 -10.082 9.782 15.632 1.00 1.00 C ATOM 704 O LEU A 50 -10.958 9.907 14.778 1.00 1.00 O ATOM 705 CB LEU A 50 -10.631 8.862 17.928 1.00 1.00 C ATOM 706 CG LEU A 50 -11.002 7.629 18.773 1.00 1.00 C ATOM 707 CD1 LEU A 50 -11.493 8.077 20.146 1.00 1.00 C ATOM 708 CD2 LEU A 50 -12.095 6.761 18.154 1.00 1.00 C ATOM 0 H LEU A 50 -8.390 7.940 17.592 1.00 1.00 H new ATOM 0 HA LEU A 50 -10.732 7.806 16.050 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -9.888 9.447 18.470 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -11.515 9.491 17.820 1.00 1.00 H new ATOM 0 HG LEU A 50 -10.094 7.030 18.835 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -11.755 7.203 20.742 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -10.705 8.636 20.650 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -12.371 8.712 20.029 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -12.300 5.913 18.808 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -13.003 7.352 18.030 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -11.764 6.397 17.181 1.00 1.00 H new ATOM 720 N ALA A 51 -9.120 10.694 15.787 1.00 1.00 N ATOM 721 CA ALA A 51 -9.043 11.882 14.939 1.00 1.00 C ATOM 722 C ALA A 51 -8.673 11.534 13.486 1.00 1.00 C ATOM 723 O ALA A 51 -9.259 12.080 12.549 1.00 1.00 O ATOM 724 CB ALA A 51 -8.040 12.860 15.561 1.00 1.00 C ATOM 0 H ALA A 51 -8.385 10.631 16.491 1.00 1.00 H new ATOM 0 HA ALA A 51 -10.026 12.350 14.890 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -7.970 13.753 14.940 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -8.375 13.138 16.560 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -7.061 12.385 15.625 1.00 1.00 H new ATOM 730 N HIS A 52 -7.728 10.610 13.285 1.00 1.00 N ATOM 731 CA HIS A 52 -7.275 10.188 11.962 1.00 1.00 C ATOM 732 C HIS A 52 -8.380 9.491 11.151 1.00 1.00 C ATOM 733 O HIS A 52 -8.649 9.887 10.016 1.00 1.00 O ATOM 734 CB HIS A 52 -6.055 9.270 12.130 1.00 1.00 C ATOM 735 CG HIS A 52 -5.405 8.920 10.817 1.00 1.00 C ATOM 736 ND1 HIS A 52 -4.357 9.596 10.230 1.00 1.00 N ATOM 737 CD2 HIS A 52 -5.794 7.937 9.947 1.00 1.00 C ATOM 738 CE1 HIS A 52 -4.134 9.050 9.024 1.00 1.00 C ATOM 739 NE2 HIS A 52 -4.992 8.039 8.807 1.00 1.00 N ATOM 0 H HIS A 52 -7.252 10.130 14.049 1.00 1.00 H new ATOM 0 HA HIS A 52 -7.002 11.077 11.393 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -5.324 9.759 12.774 1.00 1.00 H new ATOM 0 HB3 HIS A 52 -6.362 8.354 12.634 1.00 1.00 H new ATOM 0 HD1 HIS A 52 -3.841 10.375 10.640 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -6.579 7.214 10.112 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -3.375 9.376 8.329 1.00 1.00 H new ATOM 747 N TYR A 53 -9.049 8.482 11.723 1.00 1.00 N ATOM 748 CA TYR A 53 -10.097 7.727 11.025 1.00 1.00 C ATOM 749 C TYR A 53 -11.402 8.513 10.799 1.00 1.00 C ATOM 750 O TYR A 53 -12.152 8.173 9.884 1.00 1.00 O ATOM 751 CB TYR A 53 -10.332 6.381 11.730 1.00 1.00 C ATOM 752 CG TYR A 53 -9.169 5.406 11.585 1.00 1.00 C ATOM 753 CD1 TYR A 53 -8.770 4.987 10.300 1.00 1.00 C ATOM 754 CD2 TYR A 53 -8.475 4.924 12.712 1.00 1.00 C ATOM 755 CE1 TYR A 53 -7.663 4.133 10.139 1.00 1.00 C ATOM 756 CE2 TYR A 53 -7.365 4.069 12.557 1.00 1.00 C ATOM 757 CZ TYR A 53 -6.948 3.683 11.267 1.00 1.00 C ATOM 758 OH TYR A 53 -5.862 2.878 11.110 1.00 1.00 O ATOM 0 H TYR A 53 -8.880 8.167 12.678 1.00 1.00 H new ATOM 0 HA TYR A 53 -9.730 7.536 10.017 1.00 1.00 H new ATOM 0 HB2 TYR A 53 -10.514 6.562 12.789 1.00 1.00 H new ATOM 0 HB3 TYR A 53 -11.234 5.921 11.326 1.00 1.00 H new ATOM 0 HD1 TYR A 53 -9.318 5.324 9.432 1.00 1.00 H new ATOM 0 HD2 TYR A 53 -8.796 5.212 13.702 1.00 1.00 H new ATOM 0 HE1 TYR A 53 -7.361 3.822 9.150 1.00 1.00 H new ATOM 0 HE2 TYR A 53 -6.834 3.710 13.426 1.00 1.00 H new ATOM 0 HH TYR A 53 -5.486 2.661 11.989 1.00 1.00 H new ATOM 768 N GLN A 54 -11.675 9.571 11.576 1.00 1.00 N ATOM 769 CA GLN A 54 -12.861 10.428 11.391 1.00 1.00 C ATOM 770 C GLN A 54 -12.595 11.633 10.460 1.00 1.00 C ATOM 771 O GLN A 54 -13.546 12.287 10.023 1.00 1.00 O ATOM 772 CB GLN A 54 -13.390 10.902 12.756 1.00 1.00 C ATOM 773 CG GLN A 54 -13.919 9.743 13.618 1.00 1.00 C ATOM 774 CD GLN A 54 -14.431 10.226 14.970 1.00 1.00 C ATOM 775 OE1 GLN A 54 -15.622 10.310 15.233 1.00 1.00 O ATOM 776 NE2 GLN A 54 -13.544 10.563 15.879 1.00 1.00 N ATOM 0 H GLN A 54 -11.080 9.859 12.353 1.00 1.00 H new ATOM 0 HA GLN A 54 -13.620 9.820 10.899 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -12.592 11.415 13.293 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -14.188 11.628 12.600 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -14.723 9.233 13.087 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -13.125 9.013 13.771 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -12.548 10.496 15.669 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -13.851 10.891 16.795 1.00 1.00 H new ATOM 785 N SER A 55 -11.333 11.937 10.132 1.00 1.00 N ATOM 786 CA SER A 55 -10.957 13.032 9.221 1.00 1.00 C ATOM 787 C SER A 55 -11.180 12.648 7.754 1.00 1.00 C ATOM 788 O SER A 55 -10.716 11.599 7.300 1.00 1.00 O ATOM 789 CB SER A 55 -9.482 13.398 9.420 1.00 1.00 C ATOM 790 OG SER A 55 -9.120 14.436 8.520 1.00 1.00 O ATOM 0 H SER A 55 -10.531 11.423 10.496 1.00 1.00 H new ATOM 0 HA SER A 55 -11.592 13.886 9.457 1.00 1.00 H new ATOM 0 HB2 SER A 55 -9.313 13.719 10.448 1.00 1.00 H new ATOM 0 HB3 SER A 55 -8.854 12.523 9.252 1.00 1.00 H new ATOM 0 HG SER A 55 -8.177 14.669 8.651 1.00 1.00 H new ATOM 796 N ARG A 56 -11.855 13.512 6.977 1.00 1.00 N ATOM 797 CA ARG A 56 -12.136 13.302 5.539 1.00 1.00 C ATOM 798 C ARG A 56 -10.882 13.033 4.689 1.00 1.00 C ATOM 799 O ARG A 56 -10.969 12.336 3.678 1.00 1.00 O ATOM 800 CB ARG A 56 -13.011 14.437 4.989 1.00 1.00 C ATOM 801 CG ARG A 56 -13.587 14.061 3.609 1.00 1.00 C ATOM 802 CD ARG A 56 -14.990 14.626 3.393 1.00 1.00 C ATOM 803 NE ARG A 56 -14.990 16.098 3.274 1.00 1.00 N ATOM 804 CZ ARG A 56 -16.042 16.864 3.042 1.00 1.00 C ATOM 805 NH1 ARG A 56 -17.253 16.413 2.954 1.00 1.00 N ATOM 806 NH2 ARG A 56 -15.937 18.148 2.878 1.00 1.00 N ATOM 0 H ARG A 56 -12.229 14.392 7.333 1.00 1.00 H new ATOM 0 HA ARG A 56 -12.706 12.376 5.459 1.00 1.00 H new ATOM 0 HB2 ARG A 56 -13.825 14.645 5.684 1.00 1.00 H new ATOM 0 HB3 ARG A 56 -12.421 15.350 4.906 1.00 1.00 H new ATOM 0 HG2 ARG A 56 -12.924 14.432 2.828 1.00 1.00 H new ATOM 0 HG3 ARG A 56 -13.616 12.976 3.513 1.00 1.00 H new ATOM 0 HD2 ARG A 56 -15.419 14.191 2.491 1.00 1.00 H new ATOM 0 HD3 ARG A 56 -15.630 14.331 4.225 1.00 1.00 H new ATOM 0 HE ARG A 56 -14.092 16.569 3.381 1.00 1.00 H new ATOM 0 HH11 ARG A 56 -17.435 15.416 3.066 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -18.025 17.055 2.773 1.00 1.00 H new ATOM 0 HH21 ARG A 56 -15.022 18.595 2.927 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -16.770 18.709 2.701 1.00 1.00 H new ATOM 820 N LYS A 57 -9.711 13.529 5.111 1.00 1.00 N ATOM 821 CA LYS A 57 -8.422 13.301 4.429 1.00 1.00 C ATOM 822 C LYS A 57 -8.088 11.804 4.343 1.00 1.00 C ATOM 823 O LYS A 57 -7.585 11.352 3.312 1.00 1.00 O ATOM 824 CB LYS A 57 -7.326 14.084 5.177 1.00 1.00 C ATOM 825 CG LYS A 57 -5.944 14.081 4.501 1.00 1.00 C ATOM 826 CD LYS A 57 -5.927 14.824 3.155 1.00 1.00 C ATOM 827 CE LYS A 57 -4.488 14.931 2.634 1.00 1.00 C ATOM 828 NZ LYS A 57 -4.414 15.737 1.385 1.00 1.00 N ATOM 0 H LYS A 57 -9.627 14.108 5.946 1.00 1.00 H new ATOM 0 HA LYS A 57 -8.486 13.660 3.402 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -7.654 15.117 5.293 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -7.224 13.668 6.179 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -5.218 14.540 5.171 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -5.626 13.050 4.344 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -6.547 14.296 2.431 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -6.355 15.820 3.274 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -3.857 15.385 3.398 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -4.093 13.932 2.447 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -3.427 15.788 1.062 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -4.996 15.290 0.648 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -4.767 16.697 1.570 1.00 1.00 H new ATOM 842 N HIS A 58 -8.432 11.022 5.373 1.00 1.00 N ATOM 843 CA HIS A 58 -8.261 9.563 5.373 1.00 1.00 C ATOM 844 C HIS A 58 -9.136 8.915 4.294 1.00 1.00 C ATOM 845 O HIS A 58 -8.629 8.153 3.474 1.00 1.00 O ATOM 846 CB HIS A 58 -8.592 9.002 6.763 1.00 1.00 C ATOM 847 CG HIS A 58 -8.562 7.495 6.816 1.00 1.00 C ATOM 848 ND1 HIS A 58 -7.413 6.715 6.941 1.00 1.00 N ATOM 849 CD2 HIS A 58 -9.647 6.676 6.690 1.00 1.00 C ATOM 850 CE1 HIS A 58 -7.832 5.442 6.885 1.00 1.00 C ATOM 851 NE2 HIS A 58 -9.167 5.387 6.748 1.00 1.00 N ATOM 0 H HIS A 58 -8.839 11.385 6.235 1.00 1.00 H new ATOM 0 HA HIS A 58 -7.222 9.327 5.141 1.00 1.00 H new ATOM 0 HB2 HIS A 58 -7.881 9.399 7.487 1.00 1.00 H new ATOM 0 HB3 HIS A 58 -9.580 9.350 7.063 1.00 1.00 H new ATOM 0 HD2 HIS A 58 -10.677 6.979 6.569 1.00 1.00 H new ATOM 0 HE1 HIS A 58 -7.185 4.579 6.942 1.00 1.00 H new ATOM 0 HE2 HIS A 58 -9.728 4.537 6.696 1.00 1.00 H new ATOM 859 N ALA A 59 -10.428 9.265 4.232 1.00 1.00 N ATOM 860 CA ALA A 59 -11.345 8.748 3.211 1.00 1.00 C ATOM 861 C ALA A 59 -10.856 9.063 1.787 1.00 1.00 C ATOM 862 O ALA A 59 -10.872 8.183 0.926 1.00 1.00 O ATOM 863 CB ALA A 59 -12.755 9.297 3.455 1.00 1.00 C ATOM 0 H ALA A 59 -10.865 9.913 4.887 1.00 1.00 H new ATOM 0 HA ALA A 59 -11.373 7.662 3.294 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -13.433 8.910 2.694 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -13.101 8.986 4.441 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -12.735 10.386 3.404 1.00 1.00 H new ATOM 869 N ASN A 60 -10.367 10.284 1.542 1.00 1.00 N ATOM 870 CA ASN A 60 -9.806 10.670 0.244 1.00 1.00 C ATOM 871 C ASN A 60 -8.636 9.748 -0.160 1.00 1.00 C ATOM 872 O ASN A 60 -8.612 9.230 -1.280 1.00 1.00 O ATOM 873 CB ASN A 60 -9.393 12.150 0.306 1.00 1.00 C ATOM 874 CG ASN A 60 -8.855 12.638 -1.029 1.00 1.00 C ATOM 875 OD1 ASN A 60 -9.594 12.872 -1.975 1.00 1.00 O ATOM 876 ND2 ASN A 60 -7.556 12.798 -1.158 1.00 1.00 N ATOM 0 H ASN A 60 -10.349 11.030 2.237 1.00 1.00 H new ATOM 0 HA ASN A 60 -10.560 10.551 -0.534 1.00 1.00 H new ATOM 0 HB2 ASN A 60 -10.251 12.756 0.596 1.00 1.00 H new ATOM 0 HB3 ASN A 60 -8.633 12.284 1.076 1.00 1.00 H new ATOM 0 HD21 ASN A 60 -7.167 13.117 -2.045 1.00 1.00 H new ATOM 0 HD22 ASN A 60 -6.938 12.604 -0.371 1.00 1.00 H new ATOM 883 N LYS A 61 -7.693 9.487 0.762 1.00 1.00 N ATOM 884 CA LYS A 61 -6.563 8.573 0.516 1.00 1.00 C ATOM 885 C LYS A 61 -7.014 7.117 0.346 1.00 1.00 C ATOM 886 O LYS A 61 -6.419 6.419 -0.473 1.00 1.00 O ATOM 887 CB LYS A 61 -5.480 8.715 1.599 1.00 1.00 C ATOM 888 CG LYS A 61 -4.779 10.082 1.509 1.00 1.00 C ATOM 889 CD LYS A 61 -3.560 10.204 2.437 1.00 1.00 C ATOM 890 CE LYS A 61 -2.338 9.379 1.999 1.00 1.00 C ATOM 891 NZ LYS A 61 -1.693 9.918 0.768 1.00 1.00 N ATOM 0 H LYS A 61 -7.692 9.901 1.694 1.00 1.00 H new ATOM 0 HA LYS A 61 -6.117 8.869 -0.434 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -5.930 8.598 2.585 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -4.745 7.918 1.488 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -4.462 10.253 0.480 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -5.495 10.866 1.756 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -3.271 11.253 2.499 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -3.851 9.894 3.441 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -1.608 9.360 2.808 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -2.645 8.348 1.822 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -0.876 9.326 0.517 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -2.378 9.912 -0.014 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -1.374 10.893 0.941 1.00 1.00 H new ATOM 905 N VAL A 62 -8.058 6.661 1.048 1.00 1.00 N ATOM 906 CA VAL A 62 -8.617 5.298 0.897 1.00 1.00 C ATOM 907 C VAL A 62 -9.260 5.113 -0.479 1.00 1.00 C ATOM 908 O VAL A 62 -8.981 4.114 -1.137 1.00 1.00 O ATOM 909 CB VAL A 62 -9.630 4.976 2.015 1.00 1.00 C ATOM 910 CG1 VAL A 62 -10.405 3.670 1.779 1.00 1.00 C ATOM 911 CG2 VAL A 62 -8.916 4.816 3.359 1.00 1.00 C ATOM 0 H VAL A 62 -8.547 7.225 1.743 1.00 1.00 H new ATOM 0 HA VAL A 62 -7.787 4.597 0.983 1.00 1.00 H new ATOM 0 HB VAL A 62 -10.326 5.815 2.015 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -11.099 3.505 2.603 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -10.961 3.741 0.844 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -9.705 2.837 1.722 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -9.647 4.589 4.135 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -8.193 4.003 3.293 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -8.398 5.742 3.608 1.00 1.00 H new ATOM 1397 N SER A 94 -59.832 0.144 21.009 1.00 1.00 N ATOM 1398 CA SER A 94 -59.610 1.381 21.790 1.00 1.00 C ATOM 1399 C SER A 94 -60.872 2.252 21.920 1.00 1.00 C ATOM 1400 O SER A 94 -60.981 3.046 22.855 1.00 1.00 O ATOM 1401 CB SER A 94 -58.438 2.187 21.219 1.00 1.00 C ATOM 1402 OG SER A 94 -58.644 2.498 19.851 1.00 1.00 O ATOM 0 HA SER A 94 -59.355 1.064 22.801 1.00 1.00 H new ATOM 0 HB2 SER A 94 -58.315 3.108 21.789 1.00 1.00 H new ATOM 0 HB3 SER A 94 -57.515 1.618 21.330 1.00 1.00 H new ATOM 0 HG SER A 94 -59.130 1.765 19.418 1.00 1.00 H new ATOM 1408 N LYS A 95 -61.851 2.082 21.025 1.00 1.00 N ATOM 1409 CA LYS A 95 -63.174 2.735 21.029 1.00 1.00 C ATOM 1410 C LYS A 95 -64.312 1.703 21.082 1.00 1.00 C ATOM 1411 O LYS A 95 -65.463 2.077 21.303 1.00 1.00 O ATOM 1412 CB LYS A 95 -63.343 3.637 19.789 1.00 1.00 C ATOM 1413 CG LYS A 95 -62.729 5.039 19.872 1.00 1.00 C ATOM 1414 CD LYS A 95 -61.217 5.084 19.676 1.00 1.00 C ATOM 1415 CE LYS A 95 -60.790 4.634 18.272 1.00 1.00 C ATOM 1416 NZ LYS A 95 -59.314 4.674 18.120 1.00 1.00 N ATOM 0 H LYS A 95 -61.740 1.450 20.232 1.00 1.00 H new ATOM 0 HA LYS A 95 -63.228 3.351 21.927 1.00 1.00 H new ATOM 0 HB2 LYS A 95 -62.906 3.124 18.932 1.00 1.00 H new ATOM 0 HB3 LYS A 95 -64.409 3.743 19.588 1.00 1.00 H new ATOM 0 HG2 LYS A 95 -63.199 5.672 19.119 1.00 1.00 H new ATOM 0 HG3 LYS A 95 -62.969 5.469 20.844 1.00 1.00 H new ATOM 0 HD2 LYS A 95 -60.862 6.099 19.852 1.00 1.00 H new ATOM 0 HD3 LYS A 95 -60.739 4.446 20.419 1.00 1.00 H new ATOM 0 HE2 LYS A 95 -61.150 3.622 18.087 1.00 1.00 H new ATOM 0 HE3 LYS A 95 -61.253 5.279 17.525 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 -59.063 4.514 17.124 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 -58.959 5.604 18.421 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 -58.884 3.932 18.709 1.00 1.00 H new ATOM 1430 N CYS A 96 -64.012 0.414 20.907 1.00 1.00 N ATOM 1431 CA CYS A 96 -64.970 -0.695 20.924 1.00 1.00 C ATOM 1432 C CYS A 96 -64.373 -1.993 21.512 1.00 1.00 C ATOM 1433 O CYS A 96 -63.153 -2.155 21.604 1.00 1.00 O ATOM 1434 CB CYS A 96 -65.472 -0.870 19.477 1.00 1.00 C ATOM 1435 SG CYS A 96 -66.837 -2.064 19.333 1.00 1.00 S ATOM 0 H CYS A 96 -63.055 0.101 20.743 1.00 1.00 H new ATOM 0 HA CYS A 96 -65.803 -0.465 21.588 1.00 1.00 H new ATOM 0 HB2 CYS A 96 -65.801 0.096 19.094 1.00 1.00 H new ATOM 0 HB3 CYS A 96 -64.644 -1.197 18.849 1.00 1.00 H new ATOM 0 HG CYS A 96 -67.513 -2.086 20.443 1.00 1.00 H new ATOM 1441 N CYS A 97 -65.253 -2.918 21.905 1.00 1.00 N ATOM 1442 CA CYS A 97 -64.957 -4.246 22.440 1.00 1.00 C ATOM 1443 C CYS A 97 -66.000 -5.250 21.909 1.00 1.00 C ATOM 1444 O CYS A 97 -67.085 -5.358 22.487 1.00 1.00 O ATOM 1445 CB CYS A 97 -64.946 -4.213 23.975 1.00 1.00 C ATOM 1446 SG CYS A 97 -64.797 -5.841 24.758 1.00 1.00 S ATOM 0 H CYS A 97 -66.257 -2.746 21.854 1.00 1.00 H new ATOM 0 HA CYS A 97 -63.967 -4.563 22.111 1.00 1.00 H new ATOM 0 HB2 CYS A 97 -64.118 -3.587 24.307 1.00 1.00 H new ATOM 0 HB3 CYS A 97 -65.864 -3.739 24.323 1.00 1.00 H new ATOM 0 HG CYS A 97 -64.725 -5.697 26.048 1.00 1.00 H new ATOM 1451 N PRO A 98 -65.720 -5.992 20.819 1.00 1.00 N ATOM 1452 CA PRO A 98 -66.674 -6.947 20.244 1.00 1.00 C ATOM 1453 C PRO A 98 -66.899 -8.195 21.118 1.00 1.00 C ATOM 1454 O PRO A 98 -67.950 -8.826 21.014 1.00 1.00 O ATOM 1455 CB PRO A 98 -66.102 -7.303 18.868 1.00 1.00 C ATOM 1456 CG PRO A 98 -64.594 -7.128 19.051 1.00 1.00 C ATOM 1457 CD PRO A 98 -64.492 -5.960 20.031 1.00 1.00 C ATOM 0 HA PRO A 98 -67.667 -6.503 20.175 1.00 1.00 H new ATOM 0 HB2 PRO A 98 -66.355 -8.323 18.580 1.00 1.00 H new ATOM 0 HB3 PRO A 98 -66.491 -6.646 18.090 1.00 1.00 H new ATOM 0 HG2 PRO A 98 -64.130 -8.030 19.450 1.00 1.00 H new ATOM 0 HG3 PRO A 98 -64.097 -6.905 18.107 1.00 1.00 H new ATOM 0 HD2 PRO A 98 -63.615 -6.062 20.670 1.00 1.00 H new ATOM 0 HD3 PRO A 98 -64.392 -5.013 19.501 1.00 1.00 H new ATOM 1465 N VAL A 99 -65.957 -8.535 22.015 1.00 1.00 N ATOM 1466 CA VAL A 99 -66.073 -9.671 22.961 1.00 1.00 C ATOM 1467 C VAL A 99 -67.229 -9.466 23.961 1.00 1.00 C ATOM 1468 O VAL A 99 -67.778 -10.426 24.503 1.00 1.00 O ATOM 1469 CB VAL A 99 -64.754 -9.916 23.735 1.00 1.00 C ATOM 1470 CG1 VAL A 99 -64.678 -11.354 24.271 1.00 1.00 C ATOM 1471 CG2 VAL A 99 -63.492 -9.704 22.882 1.00 1.00 C ATOM 0 H VAL A 99 -65.079 -8.024 22.109 1.00 1.00 H new ATOM 0 HA VAL A 99 -66.287 -10.551 22.355 1.00 1.00 H new ATOM 0 HB VAL A 99 -64.775 -9.184 24.542 1.00 1.00 H new ATOM 0 HG11 VAL A 99 -63.740 -11.493 24.809 1.00 1.00 H new ATOM 0 HG12 VAL A 99 -65.514 -11.535 24.946 1.00 1.00 H new ATOM 0 HG13 VAL A 99 -64.726 -12.056 23.438 1.00 1.00 H new ATOM 0 HG21 VAL A 99 -62.607 -9.893 23.489 1.00 1.00 H new ATOM 0 HG22 VAL A 99 -63.505 -10.391 22.036 1.00 1.00 H new ATOM 0 HG23 VAL A 99 -63.469 -8.678 22.516 1.00 1.00 H new ATOM 1481 N CYS A 100 -67.619 -8.205 24.183 1.00 1.00 N ATOM 1482 CA CYS A 100 -68.699 -7.773 25.078 1.00 1.00 C ATOM 1483 C CYS A 100 -69.798 -6.948 24.372 1.00 1.00 C ATOM 1484 O CYS A 100 -70.833 -6.641 24.965 1.00 1.00 O ATOM 1485 CB CYS A 100 -68.063 -6.951 26.197 1.00 1.00 C ATOM 1486 SG CYS A 100 -66.863 -7.847 27.224 1.00 1.00 S ATOM 0 H CYS A 100 -67.166 -7.418 23.719 1.00 1.00 H new ATOM 0 HA CYS A 100 -69.203 -8.661 25.459 1.00 1.00 H new ATOM 0 HB2 CYS A 100 -67.566 -6.087 25.755 1.00 1.00 H new ATOM 0 HB3 CYS A 100 -68.855 -6.568 26.841 1.00 1.00 H new ATOM 0 HG CYS A 100 -66.036 -7.001 27.763 1.00 1.00 H new ATOM 1491 N ASN A 101 -69.552 -6.585 23.114 1.00 1.00 N ATOM 1492 CA ASN A 101 -70.369 -5.758 22.224 1.00 1.00 C ATOM 1493 C ASN A 101 -70.707 -4.381 22.838 1.00 1.00 C ATOM 1494 O ASN A 101 -71.874 -4.018 23.015 1.00 1.00 O ATOM 1495 CB ASN A 101 -71.572 -6.574 21.708 1.00 1.00 C ATOM 1496 CG ASN A 101 -72.339 -5.868 20.597 1.00 1.00 C ATOM 1497 OD1 ASN A 101 -71.802 -5.083 19.826 1.00 1.00 O ATOM 1498 ND2 ASN A 101 -73.621 -6.130 20.468 1.00 1.00 N ATOM 0 H ASN A 101 -68.697 -6.890 22.648 1.00 1.00 H new ATOM 0 HA ASN A 101 -69.789 -5.491 21.341 1.00 1.00 H new ATOM 0 HB2 ASN A 101 -71.219 -7.538 21.342 1.00 1.00 H new ATOM 0 HB3 ASN A 101 -72.249 -6.776 22.538 1.00 1.00 H new ATOM 0 HD21 ASN A 101 -74.162 -5.680 19.729 1.00 1.00 H new ATOM 0 HD22 ASN A 101 -74.075 -6.783 21.107 1.00 1.00 H new ATOM 1505 N MET A 102 -69.657 -3.626 23.177 1.00 1.00 N ATOM 1506 CA MET A 102 -69.728 -2.286 23.790 1.00 1.00 C ATOM 1507 C MET A 102 -68.751 -1.289 23.143 1.00 1.00 C ATOM 1508 O MET A 102 -67.868 -1.673 22.371 1.00 1.00 O ATOM 1509 CB MET A 102 -69.457 -2.380 25.305 1.00 1.00 C ATOM 1510 CG MET A 102 -70.500 -3.217 26.054 1.00 1.00 C ATOM 1511 SD MET A 102 -70.513 -3.001 27.858 1.00 1.00 S ATOM 1512 CE MET A 102 -68.834 -3.537 28.286 1.00 1.00 C ATOM 0 H MET A 102 -68.697 -3.938 23.029 1.00 1.00 H new ATOM 0 HA MET A 102 -70.736 -1.909 23.618 1.00 1.00 H new ATOM 0 HB2 MET A 102 -68.470 -2.814 25.465 1.00 1.00 H new ATOM 0 HB3 MET A 102 -69.436 -1.375 25.727 1.00 1.00 H new ATOM 0 HG2 MET A 102 -71.488 -2.968 25.667 1.00 1.00 H new ATOM 0 HG3 MET A 102 -70.326 -4.270 25.831 1.00 1.00 H new ATOM 0 HE1 MET A 102 -68.786 -3.768 29.350 1.00 1.00 H new ATOM 0 HE2 MET A 102 -68.578 -4.426 27.710 1.00 1.00 H new ATOM 0 HE3 MET A 102 -68.128 -2.740 28.055 1.00 1.00 H new ATOM 1522 N THR A 103 -68.897 -0.004 23.480 1.00 1.00 N ATOM 1523 CA THR A 103 -68.076 1.122 22.990 1.00 1.00 C ATOM 1524 C THR A 103 -67.583 2.015 24.136 1.00 1.00 C ATOM 1525 O THR A 103 -68.166 2.027 25.224 1.00 1.00 O ATOM 1526 CB THR A 103 -68.831 1.967 21.945 1.00 1.00 C ATOM 1527 OG1 THR A 103 -70.119 2.339 22.400 1.00 1.00 O ATOM 1528 CG2 THR A 103 -69.016 1.205 20.631 1.00 1.00 C ATOM 0 H THR A 103 -69.621 0.300 24.131 1.00 1.00 H new ATOM 0 HA THR A 103 -67.205 0.679 22.508 1.00 1.00 H new ATOM 0 HB THR A 103 -68.218 2.854 21.786 1.00 1.00 H new ATOM 0 HG1 THR A 103 -70.567 2.875 21.712 1.00 1.00 H new ATOM 0 HG21 THR A 103 -69.552 1.832 19.919 1.00 1.00 H new ATOM 0 HG22 THR A 103 -68.040 0.944 20.222 1.00 1.00 H new ATOM 0 HG23 THR A 103 -69.588 0.295 20.815 1.00 1.00 H new ATOM 1536 N PHE A 104 -66.502 2.762 23.893 1.00 1.00 N ATOM 1537 CA PHE A 104 -65.833 3.637 24.868 1.00 1.00 C ATOM 1538 C PHE A 104 -65.566 5.042 24.304 1.00 1.00 C ATOM 1539 O PHE A 104 -65.300 5.206 23.111 1.00 1.00 O ATOM 1540 CB PHE A 104 -64.512 2.986 25.314 1.00 1.00 C ATOM 1541 CG PHE A 104 -64.598 1.500 25.609 1.00 1.00 C ATOM 1542 CD1 PHE A 104 -65.259 1.036 26.763 1.00 1.00 C ATOM 1543 CD2 PHE A 104 -64.042 0.576 24.705 1.00 1.00 C ATOM 1544 CE1 PHE A 104 -65.357 -0.345 27.011 1.00 1.00 C ATOM 1545 CE2 PHE A 104 -64.121 -0.802 24.964 1.00 1.00 C ATOM 1546 CZ PHE A 104 -64.788 -1.263 26.113 1.00 1.00 C ATOM 0 H PHE A 104 -66.050 2.776 22.979 1.00 1.00 H new ATOM 0 HA PHE A 104 -66.500 3.757 25.722 1.00 1.00 H new ATOM 0 HB2 PHE A 104 -63.765 3.144 24.536 1.00 1.00 H new ATOM 0 HB3 PHE A 104 -64.155 3.499 26.207 1.00 1.00 H new ATOM 0 HD1 PHE A 104 -65.691 1.741 27.458 1.00 1.00 H new ATOM 0 HD2 PHE A 104 -63.553 0.928 23.809 1.00 1.00 H new ATOM 0 HE1 PHE A 104 -65.870 -0.700 27.893 1.00 1.00 H new ATOM 0 HE2 PHE A 104 -63.670 -1.507 24.281 1.00 1.00 H new ATOM 0 HZ PHE A 104 -64.863 -2.323 26.305 1.00 1.00 H new ATOM 1556 N SER A 105 -65.617 6.060 25.167 1.00 1.00 N ATOM 1557 CA SER A 105 -65.376 7.468 24.806 1.00 1.00 C ATOM 1558 C SER A 105 -63.907 7.802 24.497 1.00 1.00 C ATOM 1559 O SER A 105 -63.646 8.679 23.669 1.00 1.00 O ATOM 1560 CB SER A 105 -65.880 8.378 25.932 1.00 1.00 C ATOM 1561 OG SER A 105 -65.341 7.979 27.186 1.00 1.00 O ATOM 0 H SER A 105 -65.831 5.931 26.156 1.00 1.00 H new ATOM 0 HA SER A 105 -65.926 7.640 23.881 1.00 1.00 H new ATOM 0 HB2 SER A 105 -65.600 9.411 25.723 1.00 1.00 H new ATOM 0 HB3 SER A 105 -66.969 8.345 25.972 1.00 1.00 H new ATOM 0 HG SER A 105 -65.674 8.574 27.890 1.00 1.00 H new ATOM 1567 N SER A 106 -62.950 7.106 25.128 1.00 1.00 N ATOM 1568 CA SER A 106 -61.499 7.308 24.954 1.00 1.00 C ATOM 1569 C SER A 106 -60.699 6.009 25.180 1.00 1.00 C ATOM 1570 O SER A 106 -61.155 5.152 25.945 1.00 1.00 O ATOM 1571 CB SER A 106 -60.984 8.353 25.964 1.00 1.00 C ATOM 1572 OG SER A 106 -61.614 9.617 25.820 1.00 1.00 O ATOM 0 H SER A 106 -63.168 6.365 25.794 1.00 1.00 H new ATOM 0 HA SER A 106 -61.353 7.645 23.928 1.00 1.00 H new ATOM 0 HB2 SER A 106 -61.148 7.984 26.976 1.00 1.00 H new ATOM 0 HB3 SER A 106 -59.908 8.473 25.839 1.00 1.00 H new ATOM 0 HG SER A 106 -61.252 10.240 26.484 1.00 1.00 H new ATOM 1578 N PRO A 107 -59.499 5.852 24.577 1.00 1.00 N ATOM 1579 CA PRO A 107 -58.641 4.669 24.740 1.00 1.00 C ATOM 1580 C PRO A 107 -58.395 4.223 26.187 1.00 1.00 C ATOM 1581 O PRO A 107 -58.409 3.026 26.468 1.00 1.00 O ATOM 1582 CB PRO A 107 -57.321 5.011 24.039 1.00 1.00 C ATOM 1583 CG PRO A 107 -57.741 6.017 22.972 1.00 1.00 C ATOM 1584 CD PRO A 107 -58.865 6.792 23.657 1.00 1.00 C ATOM 0 HA PRO A 107 -59.151 3.811 24.303 1.00 1.00 H new ATOM 0 HB2 PRO A 107 -56.596 5.439 24.732 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -56.858 4.127 23.599 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -56.917 6.670 22.685 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -58.086 5.522 22.064 1.00 1.00 H new ATOM 0 HD2 PRO A 107 -58.473 7.657 24.192 1.00 1.00 H new ATOM 0 HD3 PRO A 107 -59.582 7.167 22.927 1.00 1.00 H new ATOM 1592 N VAL A 108 -58.195 5.159 27.124 1.00 1.00 N ATOM 1593 CA VAL A 108 -57.954 4.831 28.545 1.00 1.00 C ATOM 1594 C VAL A 108 -59.153 4.103 29.171 1.00 1.00 C ATOM 1595 O VAL A 108 -58.972 3.153 29.933 1.00 1.00 O ATOM 1596 CB VAL A 108 -57.585 6.084 29.367 1.00 1.00 C ATOM 1597 CG1 VAL A 108 -57.143 5.702 30.785 1.00 1.00 C ATOM 1598 CG2 VAL A 108 -56.429 6.867 28.726 1.00 1.00 C ATOM 0 H VAL A 108 -58.195 6.160 26.926 1.00 1.00 H new ATOM 0 HA VAL A 108 -57.101 4.153 28.571 1.00 1.00 H new ATOM 0 HB VAL A 108 -58.483 6.701 29.395 1.00 1.00 H new ATOM 0 HG11 VAL A 108 -56.889 6.604 31.342 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -57.955 5.180 31.291 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -56.271 5.051 30.731 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -56.200 7.741 29.335 1.00 1.00 H new ATOM 0 HG22 VAL A 108 -55.548 6.228 28.662 1.00 1.00 H new ATOM 0 HG23 VAL A 108 -56.718 7.188 27.725 1.00 1.00 H new ATOM 1608 N VAL A 109 -60.384 4.490 28.808 1.00 1.00 N ATOM 1609 CA VAL A 109 -61.619 3.833 29.276 1.00 1.00 C ATOM 1610 C VAL A 109 -61.675 2.389 28.760 1.00 1.00 C ATOM 1611 O VAL A 109 -62.022 1.477 29.514 1.00 1.00 O ATOM 1612 CB VAL A 109 -62.874 4.625 28.847 1.00 1.00 C ATOM 1613 CG1 VAL A 109 -64.162 4.002 29.396 1.00 1.00 C ATOM 1614 CG2 VAL A 109 -62.817 6.077 29.346 1.00 1.00 C ATOM 0 H VAL A 109 -60.555 5.273 28.177 1.00 1.00 H new ATOM 0 HA VAL A 109 -61.605 3.813 30.366 1.00 1.00 H new ATOM 0 HB VAL A 109 -62.884 4.596 27.757 1.00 1.00 H new ATOM 0 HG11 VAL A 109 -65.019 4.591 29.070 1.00 1.00 H new ATOM 0 HG12 VAL A 109 -64.260 2.982 29.024 1.00 1.00 H new ATOM 0 HG13 VAL A 109 -64.124 3.989 30.485 1.00 1.00 H new ATOM 0 HG21 VAL A 109 -63.715 6.607 29.027 1.00 1.00 H new ATOM 0 HG22 VAL A 109 -62.758 6.086 30.434 1.00 1.00 H new ATOM 0 HG23 VAL A 109 -61.938 6.570 28.931 1.00 1.00 H new ATOM 1624 N ALA A 110 -61.265 2.164 27.506 1.00 1.00 N ATOM 1625 CA ALA A 110 -61.173 0.824 26.928 1.00 1.00 C ATOM 1626 C ALA A 110 -60.131 -0.027 27.674 1.00 1.00 C ATOM 1627 O ALA A 110 -60.427 -1.158 28.056 1.00 1.00 O ATOM 1628 CB ALA A 110 -60.841 0.935 25.437 1.00 1.00 C ATOM 0 H ALA A 110 -60.988 2.908 26.866 1.00 1.00 H new ATOM 0 HA ALA A 110 -62.134 0.320 27.036 1.00 1.00 H new ATOM 0 HB1 ALA A 110 -60.772 -0.063 25.004 1.00 1.00 H new ATOM 0 HB2 ALA A 110 -61.626 1.497 24.930 1.00 1.00 H new ATOM 0 HB3 ALA A 110 -59.889 1.451 25.314 1.00 1.00 H new ATOM 1634 N GLU A 111 -58.932 0.511 27.938 1.00 1.00 N ATOM 1635 CA GLU A 111 -57.881 -0.208 28.678 1.00 1.00 C ATOM 1636 C GLU A 111 -58.361 -0.624 30.077 1.00 1.00 C ATOM 1637 O GLU A 111 -58.153 -1.772 30.470 1.00 1.00 O ATOM 1638 CB GLU A 111 -56.602 0.638 28.802 1.00 1.00 C ATOM 1639 CG GLU A 111 -55.862 0.807 27.470 1.00 1.00 C ATOM 1640 CD GLU A 111 -54.520 1.535 27.675 1.00 1.00 C ATOM 1641 OE1 GLU A 111 -54.493 2.790 27.678 1.00 1.00 O ATOM 1642 OE2 GLU A 111 -53.475 0.855 27.830 1.00 1.00 O ATOM 0 H GLU A 111 -58.663 1.451 27.647 1.00 1.00 H new ATOM 0 HA GLU A 111 -57.653 -1.107 28.105 1.00 1.00 H new ATOM 0 HB2 GLU A 111 -56.861 1.621 29.195 1.00 1.00 H new ATOM 0 HB3 GLU A 111 -55.934 0.172 29.526 1.00 1.00 H new ATOM 0 HG2 GLU A 111 -55.685 -0.170 27.021 1.00 1.00 H new ATOM 0 HG3 GLU A 111 -56.483 1.370 26.773 1.00 1.00 H new ATOM 1649 N SER A 112 -59.054 0.265 30.802 1.00 1.00 N ATOM 1650 CA SER A 112 -59.635 -0.038 32.120 1.00 1.00 C ATOM 1651 C SER A 112 -60.664 -1.175 32.053 1.00 1.00 C ATOM 1652 O SER A 112 -60.720 -2.006 32.962 1.00 1.00 O ATOM 1653 CB SER A 112 -60.293 1.205 32.731 1.00 1.00 C ATOM 1654 OG SER A 112 -59.309 2.171 33.067 1.00 1.00 O ATOM 0 H SER A 112 -59.229 1.220 30.490 1.00 1.00 H new ATOM 0 HA SER A 112 -58.809 -0.361 32.754 1.00 1.00 H new ATOM 0 HB2 SER A 112 -61.005 1.632 32.024 1.00 1.00 H new ATOM 0 HB3 SER A 112 -60.856 0.926 33.621 1.00 1.00 H new ATOM 0 HG SER A 112 -59.029 2.648 32.258 1.00 1.00 H new ATOM 1660 N HIS A 113 -61.451 -1.259 30.973 1.00 1.00 N ATOM 1661 CA HIS A 113 -62.406 -2.348 30.765 1.00 1.00 C ATOM 1662 C HIS A 113 -61.683 -3.676 30.471 1.00 1.00 C ATOM 1663 O HIS A 113 -61.965 -4.680 31.128 1.00 1.00 O ATOM 1664 CB HIS A 113 -63.376 -1.987 29.629 1.00 1.00 C ATOM 1665 CG HIS A 113 -64.256 -3.145 29.230 1.00 1.00 C ATOM 1666 ND1 HIS A 113 -65.407 -3.558 29.864 1.00 1.00 N ATOM 1667 CD2 HIS A 113 -63.999 -4.049 28.232 1.00 1.00 C ATOM 1668 CE1 HIS A 113 -65.829 -4.684 29.266 1.00 1.00 C ATOM 1669 NE2 HIS A 113 -65.008 -5.017 28.257 1.00 1.00 N ATOM 0 H HIS A 113 -61.441 -0.572 30.220 1.00 1.00 H new ATOM 0 HA HIS A 113 -62.978 -2.484 31.683 1.00 1.00 H new ATOM 0 HB2 HIS A 113 -64.001 -1.151 29.942 1.00 1.00 H new ATOM 0 HB3 HIS A 113 -62.806 -1.652 28.762 1.00 1.00 H new ATOM 0 HD1 HIS A 113 -65.859 -3.091 30.650 1.00 1.00 H new ATOM 0 HD2 HIS A 113 -63.164 -4.019 27.547 1.00 1.00 H new ATOM 0 HE1 HIS A 113 -66.706 -5.243 29.556 1.00 1.00 H new ATOM 1677 N TYR A 114 -60.736 -3.690 29.521 1.00 1.00 N ATOM 1678 CA TYR A 114 -59.985 -4.891 29.123 1.00 1.00 C ATOM 1679 C TYR A 114 -59.248 -5.596 30.280 1.00 1.00 C ATOM 1680 O TYR A 114 -59.120 -6.822 30.253 1.00 1.00 O ATOM 1681 CB TYR A 114 -59.021 -4.559 27.967 1.00 1.00 C ATOM 1682 CG TYR A 114 -59.680 -4.523 26.595 1.00 1.00 C ATOM 1683 CD1 TYR A 114 -60.173 -5.715 26.035 1.00 1.00 C ATOM 1684 CD2 TYR A 114 -59.792 -3.319 25.870 1.00 1.00 C ATOM 1685 CE1 TYR A 114 -60.813 -5.703 24.780 1.00 1.00 C ATOM 1686 CE2 TYR A 114 -60.458 -3.295 24.629 1.00 1.00 C ATOM 1687 CZ TYR A 114 -60.974 -4.489 24.083 1.00 1.00 C ATOM 1688 OH TYR A 114 -61.617 -4.484 22.887 1.00 1.00 O ATOM 0 H TYR A 114 -60.466 -2.856 29.000 1.00 1.00 H new ATOM 0 HA TYR A 114 -60.729 -5.612 28.783 1.00 1.00 H new ATOM 0 HB2 TYR A 114 -58.559 -3.591 28.161 1.00 1.00 H new ATOM 0 HB3 TYR A 114 -58.220 -5.298 27.953 1.00 1.00 H new ATOM 0 HD1 TYR A 114 -60.060 -6.646 26.571 1.00 1.00 H new ATOM 0 HD2 TYR A 114 -59.365 -2.410 26.268 1.00 1.00 H new ATOM 0 HE1 TYR A 114 -61.180 -6.624 24.352 1.00 1.00 H new ATOM 0 HE2 TYR A 114 -60.574 -2.363 24.096 1.00 1.00 H new ATOM 0 HH TYR A 114 -62.020 -3.604 22.736 1.00 1.00 H new ATOM 1698 N ILE A 115 -58.791 -4.858 31.303 1.00 1.00 N ATOM 1699 CA ILE A 115 -58.106 -5.428 32.484 1.00 1.00 C ATOM 1700 C ILE A 115 -59.057 -5.772 33.646 1.00 1.00 C ATOM 1701 O ILE A 115 -58.616 -6.336 34.651 1.00 1.00 O ATOM 1702 CB ILE A 115 -56.924 -4.535 32.946 1.00 1.00 C ATOM 1703 CG1 ILE A 115 -57.292 -3.124 33.464 1.00 1.00 C ATOM 1704 CG2 ILE A 115 -55.909 -4.400 31.796 1.00 1.00 C ATOM 1705 CD1 ILE A 115 -57.858 -3.066 34.887 1.00 1.00 C ATOM 0 H ILE A 115 -58.884 -3.843 31.339 1.00 1.00 H new ATOM 0 HA ILE A 115 -57.694 -6.382 32.156 1.00 1.00 H new ATOM 0 HB ILE A 115 -56.509 -5.052 33.811 1.00 1.00 H new ATOM 0 HG12 ILE A 115 -56.401 -2.497 33.421 1.00 1.00 H new ATOM 0 HG13 ILE A 115 -58.023 -2.686 32.784 1.00 1.00 H new ATOM 0 HG21 ILE A 115 -55.077 -3.773 32.117 1.00 1.00 H new ATOM 0 HG22 ILE A 115 -55.536 -5.387 31.523 1.00 1.00 H new ATOM 0 HG23 ILE A 115 -56.395 -3.944 30.933 1.00 1.00 H new ATOM 0 HD11 ILE A 115 -58.081 -2.031 35.148 1.00 1.00 H new ATOM 0 HD12 ILE A 115 -58.771 -3.659 34.940 1.00 1.00 H new ATOM 0 HD13 ILE A 115 -57.125 -3.467 35.587 1.00 1.00 H new ATOM 1717 N GLY A 116 -60.351 -5.449 33.534 1.00 1.00 N ATOM 1718 CA GLY A 116 -61.357 -5.682 34.576 1.00 1.00 C ATOM 1719 C GLY A 116 -62.053 -7.046 34.493 1.00 1.00 C ATOM 1720 O GLY A 116 -62.118 -7.679 33.435 1.00 1.00 O ATOM 0 H GLY A 116 -60.736 -5.009 32.698 1.00 1.00 H new ATOM 0 HA2 GLY A 116 -60.879 -5.591 35.552 1.00 1.00 H new ATOM 0 HA3 GLY A 116 -62.112 -4.898 34.516 1.00 1.00 H new ATOM 1724 N LYS A 117 -62.612 -7.496 35.625 1.00 1.00 N ATOM 1725 CA LYS A 117 -63.326 -8.784 35.750 1.00 1.00 C ATOM 1726 C LYS A 117 -64.505 -8.922 34.781 1.00 1.00 C ATOM 1727 O LYS A 117 -64.770 -10.022 34.301 1.00 1.00 O ATOM 1728 CB LYS A 117 -63.801 -8.999 37.201 1.00 1.00 C ATOM 1729 CG LYS A 117 -62.691 -8.992 38.269 1.00 1.00 C ATOM 1730 CD LYS A 117 -61.630 -10.083 38.062 1.00 1.00 C ATOM 1731 CE LYS A 117 -60.653 -10.088 39.245 1.00 1.00 C ATOM 1732 NZ LYS A 117 -59.610 -11.136 39.094 1.00 1.00 N ATOM 0 H LYS A 117 -62.583 -6.969 36.498 1.00 1.00 H new ATOM 0 HA LYS A 117 -62.609 -9.559 35.479 1.00 1.00 H new ATOM 0 HB2 LYS A 117 -64.524 -8.221 37.448 1.00 1.00 H new ATOM 0 HB3 LYS A 117 -64.328 -9.952 37.255 1.00 1.00 H new ATOM 0 HG2 LYS A 117 -62.203 -8.017 38.267 1.00 1.00 H new ATOM 0 HG3 LYS A 117 -63.144 -9.120 39.252 1.00 1.00 H new ATOM 0 HD2 LYS A 117 -62.110 -11.057 37.971 1.00 1.00 H new ATOM 0 HD3 LYS A 117 -61.089 -9.906 37.132 1.00 1.00 H new ATOM 0 HE2 LYS A 117 -60.177 -9.111 39.328 1.00 1.00 H new ATOM 0 HE3 LYS A 117 -61.204 -10.254 40.171 1.00 1.00 H new ATOM 0 HZ1 LYS A 117 -58.969 -11.108 39.912 1.00 1.00 H new ATOM 0 HZ2 LYS A 117 -60.062 -12.071 39.040 1.00 1.00 H new ATOM 0 HZ3 LYS A 117 -59.068 -10.963 38.224 1.00 1.00 H new ATOM 1746 N THR A 118 -65.183 -7.817 34.455 1.00 1.00 N ATOM 1747 CA THR A 118 -66.307 -7.775 33.499 1.00 1.00 C ATOM 1748 C THR A 118 -65.892 -8.323 32.129 1.00 1.00 C ATOM 1749 O THR A 118 -66.610 -9.134 31.543 1.00 1.00 O ATOM 1750 CB THR A 118 -66.836 -6.337 33.344 1.00 1.00 C ATOM 1751 OG1 THR A 118 -67.062 -5.772 34.620 1.00 1.00 O ATOM 1752 CG2 THR A 118 -68.158 -6.274 32.575 1.00 1.00 C ATOM 0 H THR A 118 -64.965 -6.904 34.854 1.00 1.00 H new ATOM 0 HA THR A 118 -67.101 -8.406 33.899 1.00 1.00 H new ATOM 0 HB THR A 118 -66.078 -5.788 32.786 1.00 1.00 H new ATOM 0 HG1 THR A 118 -67.397 -4.857 34.518 1.00 1.00 H new ATOM 0 HG21 THR A 118 -68.484 -5.237 32.496 1.00 1.00 H new ATOM 0 HG22 THR A 118 -68.018 -6.688 31.576 1.00 1.00 H new ATOM 0 HG23 THR A 118 -68.915 -6.853 33.104 1.00 1.00 H new ATOM 1760 N HIS A 119 -64.710 -7.937 31.635 1.00 1.00 N ATOM 1761 CA HIS A 119 -64.166 -8.457 30.378 1.00 1.00 C ATOM 1762 C HIS A 119 -63.743 -9.924 30.510 1.00 1.00 C ATOM 1763 O HIS A 119 -64.038 -10.735 29.636 1.00 1.00 O ATOM 1764 CB HIS A 119 -62.988 -7.595 29.918 1.00 1.00 C ATOM 1765 CG HIS A 119 -62.536 -7.986 28.537 1.00 1.00 C ATOM 1766 ND1 HIS A 119 -63.229 -7.695 27.361 1.00 1.00 N ATOM 1767 CD2 HIS A 119 -61.434 -8.733 28.235 1.00 1.00 C ATOM 1768 CE1 HIS A 119 -62.529 -8.273 26.374 1.00 1.00 C ATOM 1769 NE2 HIS A 119 -61.450 -8.905 26.868 1.00 1.00 N ATOM 0 H HIS A 119 -64.106 -7.256 32.095 1.00 1.00 H new ATOM 0 HA HIS A 119 -64.954 -8.411 29.626 1.00 1.00 H new ATOM 0 HB2 HIS A 119 -63.278 -6.544 29.925 1.00 1.00 H new ATOM 0 HB3 HIS A 119 -62.160 -7.702 30.619 1.00 1.00 H new ATOM 0 HD2 HIS A 119 -60.698 -9.113 28.928 1.00 1.00 H new ATOM 0 HE1 HIS A 119 -62.795 -8.236 25.328 1.00 1.00 H new ATOM 0 HE2 HIS A 119 -60.761 -9.423 26.324 1.00 1.00 H new ATOM 1777 N ILE A 120 -63.087 -10.288 31.620 1.00 1.00 N ATOM 1778 CA ILE A 120 -62.627 -11.664 31.892 1.00 1.00 C ATOM 1779 C ILE A 120 -63.801 -12.657 31.924 1.00 1.00 C ATOM 1780 O ILE A 120 -63.681 -13.756 31.378 1.00 1.00 O ATOM 1781 CB ILE A 120 -61.729 -11.711 33.149 1.00 1.00 C ATOM 1782 CG1 ILE A 120 -60.473 -10.844 32.885 1.00 1.00 C ATOM 1783 CG2 ILE A 120 -61.331 -13.159 33.501 1.00 1.00 C ATOM 1784 CD1 ILE A 120 -59.498 -10.737 34.064 1.00 1.00 C ATOM 0 H ILE A 120 -62.856 -9.631 32.365 1.00 1.00 H new ATOM 0 HA ILE A 120 -61.998 -11.990 31.064 1.00 1.00 H new ATOM 0 HB ILE A 120 -62.280 -11.317 34.003 1.00 1.00 H new ATOM 0 HG12 ILE A 120 -59.939 -11.256 32.028 1.00 1.00 H new ATOM 0 HG13 ILE A 120 -60.795 -9.840 32.607 1.00 1.00 H new ATOM 0 HG21 ILE A 120 -60.700 -13.157 34.390 1.00 1.00 H new ATOM 0 HG22 ILE A 120 -62.229 -13.746 33.695 1.00 1.00 H new ATOM 0 HG23 ILE A 120 -60.783 -13.599 32.668 1.00 1.00 H new ATOM 0 HD11 ILE A 120 -58.652 -10.110 33.781 1.00 1.00 H new ATOM 0 HD12 ILE A 120 -60.008 -10.294 34.919 1.00 1.00 H new ATOM 0 HD13 ILE A 120 -59.139 -11.731 34.331 1.00 1.00 H new ATOM 1796 N LYS A 121 -64.964 -12.269 32.464 1.00 1.00 N ATOM 1797 CA LYS A 121 -66.189 -13.090 32.429 1.00 1.00 C ATOM 1798 C LYS A 121 -66.565 -13.453 30.983 1.00 1.00 C ATOM 1799 O LYS A 121 -66.922 -14.596 30.698 1.00 1.00 O ATOM 1800 CB LYS A 121 -67.315 -12.334 33.156 1.00 1.00 C ATOM 1801 CG LYS A 121 -68.591 -13.179 33.305 1.00 1.00 C ATOM 1802 CD LYS A 121 -69.665 -12.419 34.087 1.00 1.00 C ATOM 1803 CE LYS A 121 -70.929 -13.276 34.222 1.00 1.00 C ATOM 1804 NZ LYS A 121 -71.993 -12.567 34.980 1.00 1.00 N ATOM 0 H LYS A 121 -65.086 -11.375 32.940 1.00 1.00 H new ATOM 0 HA LYS A 121 -66.019 -14.035 32.946 1.00 1.00 H new ATOM 0 HB2 LYS A 121 -66.966 -12.031 34.143 1.00 1.00 H new ATOM 0 HB3 LYS A 121 -67.549 -11.422 32.607 1.00 1.00 H new ATOM 0 HG2 LYS A 121 -68.973 -13.444 32.319 1.00 1.00 H new ATOM 0 HG3 LYS A 121 -68.356 -14.112 33.817 1.00 1.00 H new ATOM 0 HD2 LYS A 121 -69.288 -12.156 35.075 1.00 1.00 H new ATOM 0 HD3 LYS A 121 -69.903 -11.485 33.578 1.00 1.00 H new ATOM 0 HE2 LYS A 121 -71.300 -13.537 33.231 1.00 1.00 H new ATOM 0 HE3 LYS A 121 -70.683 -14.211 34.726 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 -72.833 -13.176 35.052 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 -71.647 -12.340 35.934 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 -72.245 -11.688 34.485 1.00 1.00 H new ATOM 1818 N ASN A 122 -66.416 -12.503 30.056 1.00 1.00 N ATOM 1819 CA ASN A 122 -66.649 -12.709 28.625 1.00 1.00 C ATOM 1820 C ASN A 122 -65.511 -13.489 27.933 1.00 1.00 C ATOM 1821 O ASN A 122 -65.778 -14.146 26.927 1.00 1.00 O ATOM 1822 CB ASN A 122 -66.963 -11.367 27.946 1.00 1.00 C ATOM 1823 CG ASN A 122 -68.428 -10.990 28.116 1.00 1.00 C ATOM 1824 OD1 ASN A 122 -68.963 -10.914 29.212 1.00 1.00 O ATOM 1825 ND2 ASN A 122 -69.138 -10.773 27.033 1.00 1.00 N ATOM 0 H ASN A 122 -66.125 -11.552 30.284 1.00 1.00 H new ATOM 0 HA ASN A 122 -67.523 -13.351 28.515 1.00 1.00 H new ATOM 0 HB2 ASN A 122 -66.333 -10.586 28.371 1.00 1.00 H new ATOM 0 HB3 ASN A 122 -66.722 -11.429 26.885 1.00 1.00 H new ATOM 0 HD21 ASN A 122 -70.129 -10.543 27.110 1.00 1.00 H new ATOM 0 HD22 ASN A 122 -68.699 -10.834 26.114 1.00 1.00 H new