USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 583 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 CYS SG : rot 140:sc= -0.0411 USER MOD Set 1.2: A 100 CYS SG : rot 155:sc= 0.211 USER MOD Set 1.3: A 113 HIS : no HE2:sc= 0.135 K(o=0.22,f=-1.2) USER MOD Set 1.4: A 119 HIS : no HD1:sc= -0.0812 X(o=0.22,f=0.26) USER MOD Set 2.1: A 94 SER OG : rot 180:sc= 0.549 USER MOD Set 2.2: A 95 LYS NZ :NH3+ -160:sc= 0.581 (180deg=-0.163) USER MOD Set 3.1: A 36 CYS SG : rot -134:sc= 0.138 USER MOD Set 3.2: A 39 CYS SG : rot 129:sc= 0.209 USER MOD Set 3.3: A 52 HIS : no HE2:sc= -0.529 K(o=-0.24,f=-1.1) USER MOD Set 3.4: A 58 HIS : no HD1:sc= -0.0576 K(o=-0.24,f=-0.83) USER MOD Set 4.1: A 45 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 120:sc= 0.608 USER MOD Single : A 27 ASN : amide:sc= 0.751 K(o=0.75,f=-0.013) USER MOD Single : A 28 SER OG : rot -0:sc= 0.64 USER MOD Single : A 29 HIS : no HD1:sc= 0.34 K(o=0.34,f=-2.6!) USER MOD Single : A 32 SER OG : rot -47:sc= 0.987 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 37 LYS NZ :NH3+ 174:sc= 0.898 (180deg=0.878) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc=-0.00993 X(o=-0.0099,f=-0.0099) USER MOD Single : A 49 LYS NZ :NH3+ -145:sc= 2.54 (180deg=1.14) USER MOD Single : A 53 TYR OH : rot -166:sc= 1.14 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 55 SER OG : rot 180:sc= 0.00169 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.929 K(o=0.93,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc=-0.00713 K(o=-0.0071,f=-0.73) USER MOD Single : A 102 MET CE :methyl -155:sc= 0 (180deg=-0.026) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0.00606 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 1:sc= 0.365 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= 0.742 K(o=0.74,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 188 N GLY A 16 -17.915 7.982 15.645 1.00 1.00 N ATOM 189 CA GLY A 16 -17.969 7.385 16.983 1.00 1.00 C ATOM 190 C GLY A 16 -16.938 6.270 17.190 1.00 1.00 C ATOM 191 O GLY A 16 -16.311 5.803 16.234 1.00 1.00 O ATOM 0 HA2 GLY A 16 -17.806 8.164 17.728 1.00 1.00 H new ATOM 0 HA3 GLY A 16 -18.968 6.984 17.154 1.00 1.00 H new ATOM 195 N LYS A 17 -16.765 5.844 18.449 1.00 1.00 N ATOM 196 CA LYS A 17 -15.801 4.798 18.849 1.00 1.00 C ATOM 197 C LYS A 17 -16.068 3.461 18.148 1.00 1.00 C ATOM 198 O LYS A 17 -15.146 2.813 17.655 1.00 1.00 O ATOM 199 CB LYS A 17 -15.874 4.567 20.377 1.00 1.00 C ATOM 200 CG LYS A 17 -15.794 5.809 21.282 1.00 1.00 C ATOM 201 CD LYS A 17 -14.488 6.593 21.108 1.00 1.00 C ATOM 202 CE LYS A 17 -14.299 7.669 22.190 1.00 1.00 C ATOM 203 NZ LYS A 17 -15.297 8.768 22.096 1.00 1.00 N ATOM 0 H LYS A 17 -17.297 6.220 19.234 1.00 1.00 H new ATOM 0 HA LYS A 17 -14.813 5.153 18.555 1.00 1.00 H new ATOM 0 HB2 LYS A 17 -16.808 4.049 20.596 1.00 1.00 H new ATOM 0 HB3 LYS A 17 -15.064 3.894 20.656 1.00 1.00 H new ATOM 0 HG2 LYS A 17 -16.637 6.465 21.065 1.00 1.00 H new ATOM 0 HG3 LYS A 17 -15.890 5.500 22.323 1.00 1.00 H new ATOM 0 HD2 LYS A 17 -13.646 5.901 21.137 1.00 1.00 H new ATOM 0 HD3 LYS A 17 -14.479 7.065 20.125 1.00 1.00 H new ATOM 0 HE2 LYS A 17 -14.370 7.204 23.173 1.00 1.00 H new ATOM 0 HE3 LYS A 17 -13.296 8.088 22.107 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 -15.120 9.463 22.850 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 -15.215 9.233 21.170 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 -16.255 8.377 22.203 1.00 1.00 H new ATOM 217 N ASP A 18 -17.342 3.070 18.079 1.00 1.00 N ATOM 218 CA ASP A 18 -17.800 1.822 17.458 1.00 1.00 C ATOM 219 C ASP A 18 -17.563 1.807 15.942 1.00 1.00 C ATOM 220 O ASP A 18 -17.127 0.792 15.399 1.00 1.00 O ATOM 221 CB ASP A 18 -19.289 1.607 17.758 1.00 1.00 C ATOM 222 CG ASP A 18 -19.547 1.366 19.254 1.00 1.00 C ATOM 223 OD1 ASP A 18 -19.365 0.217 19.722 1.00 1.00 O ATOM 224 OD2 ASP A 18 -19.936 2.325 19.963 1.00 1.00 O ATOM 0 H ASP A 18 -18.106 3.626 18.463 1.00 1.00 H new ATOM 0 HA ASP A 18 -17.215 1.008 17.887 1.00 1.00 H new ATOM 0 HB2 ASP A 18 -19.855 2.479 17.429 1.00 1.00 H new ATOM 0 HB3 ASP A 18 -19.655 0.755 17.185 1.00 1.00 H new ATOM 229 N ALA A 19 -17.804 2.935 15.260 1.00 1.00 N ATOM 230 CA ALA A 19 -17.580 3.052 13.821 1.00 1.00 C ATOM 231 C ALA A 19 -16.094 2.887 13.471 1.00 1.00 C ATOM 232 O ALA A 19 -15.766 2.141 12.549 1.00 1.00 O ATOM 233 CB ALA A 19 -18.125 4.393 13.320 1.00 1.00 C ATOM 0 H ALA A 19 -18.159 3.788 15.693 1.00 1.00 H new ATOM 0 HA ALA A 19 -18.116 2.247 13.318 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -17.956 4.476 12.246 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -19.194 4.451 13.525 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -17.613 5.208 13.832 1.00 1.00 H new ATOM 239 N VAL A 20 -15.188 3.532 14.220 1.00 1.00 N ATOM 240 CA VAL A 20 -13.738 3.394 13.995 1.00 1.00 C ATOM 241 C VAL A 20 -13.271 1.969 14.309 1.00 1.00 C ATOM 242 O VAL A 20 -12.533 1.383 13.519 1.00 1.00 O ATOM 243 CB VAL A 20 -12.945 4.452 14.783 1.00 1.00 C ATOM 244 CG1 VAL A 20 -11.430 4.231 14.686 1.00 1.00 C ATOM 245 CG2 VAL A 20 -13.253 5.849 14.224 1.00 1.00 C ATOM 0 H VAL A 20 -15.432 4.156 14.989 1.00 1.00 H new ATOM 0 HA VAL A 20 -13.539 3.575 12.939 1.00 1.00 H new ATOM 0 HB VAL A 20 -13.247 4.365 15.827 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -10.913 5.002 15.257 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -11.179 3.250 15.089 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -11.121 4.284 13.642 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -12.691 6.597 14.783 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -12.968 5.891 13.173 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -14.320 6.052 14.319 1.00 1.00 H new ATOM 255 N ASN A 21 -13.734 1.369 15.413 1.00 1.00 N ATOM 256 CA ASN A 21 -13.409 -0.014 15.766 1.00 1.00 C ATOM 257 C ASN A 21 -13.853 -0.997 14.662 1.00 1.00 C ATOM 258 O ASN A 21 -13.073 -1.852 14.243 1.00 1.00 O ATOM 259 CB ASN A 21 -14.061 -0.312 17.124 1.00 1.00 C ATOM 260 CG ASN A 21 -13.933 -1.773 17.516 1.00 1.00 C ATOM 261 OD1 ASN A 21 -12.873 -2.257 17.885 1.00 1.00 O ATOM 262 ND2 ASN A 21 -15.012 -2.516 17.433 1.00 1.00 N ATOM 0 H ASN A 21 -14.345 1.832 16.086 1.00 1.00 H new ATOM 0 HA ASN A 21 -12.330 -0.145 15.849 1.00 1.00 H new ATOM 0 HB2 ASN A 21 -13.599 0.310 17.891 1.00 1.00 H new ATOM 0 HB3 ASN A 21 -15.116 -0.039 17.086 1.00 1.00 H new ATOM 0 HD21 ASN A 21 -14.970 -3.505 17.677 1.00 1.00 H new ATOM 0 HD22 ASN A 21 -15.892 -2.104 17.124 1.00 1.00 H new ATOM 269 N SER A 22 -15.082 -0.851 14.154 1.00 1.00 N ATOM 270 CA SER A 22 -15.613 -1.684 13.065 1.00 1.00 C ATOM 271 C SER A 22 -14.847 -1.463 11.752 1.00 1.00 C ATOM 272 O SER A 22 -14.525 -2.424 11.055 1.00 1.00 O ATOM 273 CB SER A 22 -17.108 -1.405 12.881 1.00 1.00 C ATOM 274 OG SER A 22 -17.711 -2.442 12.125 1.00 1.00 O ATOM 0 H SER A 22 -15.741 -0.148 14.488 1.00 1.00 H new ATOM 0 HA SER A 22 -15.477 -2.730 13.339 1.00 1.00 H new ATOM 0 HB2 SER A 22 -17.593 -1.325 13.854 1.00 1.00 H new ATOM 0 HB3 SER A 22 -17.247 -0.449 12.376 1.00 1.00 H new ATOM 0 HG SER A 22 -18.415 -2.868 12.657 1.00 1.00 H new ATOM 280 N LEU A 23 -14.487 -0.217 11.424 1.00 1.00 N ATOM 281 CA LEU A 23 -13.697 0.123 10.234 1.00 1.00 C ATOM 282 C LEU A 23 -12.305 -0.532 10.266 1.00 1.00 C ATOM 283 O LEU A 23 -11.861 -1.068 9.248 1.00 1.00 O ATOM 284 CB LEU A 23 -13.632 1.658 10.129 1.00 1.00 C ATOM 285 CG LEU A 23 -12.943 2.213 8.873 1.00 1.00 C ATOM 286 CD1 LEU A 23 -13.668 1.812 7.587 1.00 1.00 C ATOM 287 CD2 LEU A 23 -12.948 3.738 8.951 1.00 1.00 C ATOM 0 H LEU A 23 -14.740 0.596 11.986 1.00 1.00 H new ATOM 0 HA LEU A 23 -14.176 -0.275 9.340 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -14.649 2.049 10.166 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -13.111 2.042 11.006 1.00 1.00 H new ATOM 0 HG LEU A 23 -11.933 1.804 8.842 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -13.142 2.229 6.728 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -13.691 0.725 7.506 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -14.688 2.196 7.609 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -12.462 4.149 8.066 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -13.976 4.096 9.000 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -12.409 4.058 9.843 1.00 1.00 H new ATOM 299 N ILE A 24 -11.646 -0.543 11.432 1.00 1.00 N ATOM 300 CA ILE A 24 -10.358 -1.226 11.643 1.00 1.00 C ATOM 301 C ILE A 24 -10.551 -2.747 11.506 1.00 1.00 C ATOM 302 O ILE A 24 -9.764 -3.404 10.826 1.00 1.00 O ATOM 303 CB ILE A 24 -9.754 -0.847 13.020 1.00 1.00 C ATOM 304 CG1 ILE A 24 -9.339 0.643 13.060 1.00 1.00 C ATOM 305 CG2 ILE A 24 -8.531 -1.724 13.352 1.00 1.00 C ATOM 306 CD1 ILE A 24 -9.106 1.165 14.487 1.00 1.00 C ATOM 0 H ILE A 24 -11.995 -0.073 12.267 1.00 1.00 H new ATOM 0 HA ILE A 24 -9.649 -0.901 10.881 1.00 1.00 H new ATOM 0 HB ILE A 24 -10.530 -1.020 13.766 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -8.427 0.776 12.477 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -10.113 1.243 12.582 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -8.129 -1.435 14.323 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -8.831 -2.771 13.381 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -7.766 -1.587 12.587 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -8.818 2.215 14.448 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -10.023 1.062 15.066 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -8.311 0.588 14.960 1.00 1.00 H new ATOM 318 N ARG A 25 -11.607 -3.314 12.107 1.00 1.00 N ATOM 319 CA ARG A 25 -11.950 -4.750 12.038 1.00 1.00 C ATOM 320 C ARG A 25 -12.189 -5.229 10.595 1.00 1.00 C ATOM 321 O ARG A 25 -11.718 -6.298 10.212 1.00 1.00 O ATOM 322 CB ARG A 25 -13.175 -4.984 12.941 1.00 1.00 C ATOM 323 CG ARG A 25 -13.598 -6.448 13.080 1.00 1.00 C ATOM 324 CD ARG A 25 -14.955 -6.609 13.792 1.00 1.00 C ATOM 325 NE ARG A 25 -16.048 -5.870 13.120 1.00 1.00 N ATOM 326 CZ ARG A 25 -16.508 -6.067 11.897 1.00 1.00 C ATOM 327 NH1 ARG A 25 -16.194 -7.097 11.169 1.00 1.00 N ATOM 328 NH2 ARG A 25 -17.295 -5.209 11.327 1.00 1.00 N ATOM 0 H ARG A 25 -12.266 -2.776 12.670 1.00 1.00 H new ATOM 0 HA ARG A 25 -11.109 -5.345 12.394 1.00 1.00 H new ATOM 0 HB2 ARG A 25 -12.959 -4.587 13.933 1.00 1.00 H new ATOM 0 HB3 ARG A 25 -14.015 -4.413 12.545 1.00 1.00 H new ATOM 0 HG2 ARG A 25 -13.655 -6.901 12.090 1.00 1.00 H new ATOM 0 HG3 ARG A 25 -12.834 -6.992 13.636 1.00 1.00 H new ATOM 0 HD2 ARG A 25 -15.213 -7.667 13.838 1.00 1.00 H new ATOM 0 HD3 ARG A 25 -14.864 -6.258 14.820 1.00 1.00 H new ATOM 0 HE ARG A 25 -16.494 -5.128 13.660 1.00 1.00 H new ATOM 0 HH11 ARG A 25 -15.560 -7.807 11.536 1.00 1.00 H new ATOM 0 HH12 ARG A 25 -16.581 -7.195 10.230 1.00 1.00 H new ATOM 0 HH21 ARG A 25 -17.571 -4.362 11.823 1.00 1.00 H new ATOM 0 HH22 ARG A 25 -17.638 -5.381 10.382 1.00 1.00 H new ATOM 342 N GLU A 26 -12.895 -4.441 9.783 1.00 1.00 N ATOM 343 CA GLU A 26 -13.169 -4.736 8.364 1.00 1.00 C ATOM 344 C GLU A 26 -11.934 -4.581 7.450 1.00 1.00 C ATOM 345 O GLU A 26 -11.933 -5.098 6.330 1.00 1.00 O ATOM 346 CB GLU A 26 -14.277 -3.796 7.843 1.00 1.00 C ATOM 347 CG GLU A 26 -15.688 -4.116 8.359 1.00 1.00 C ATOM 348 CD GLU A 26 -16.248 -5.474 7.885 1.00 1.00 C ATOM 349 OE1 GLU A 26 -16.009 -5.887 6.724 1.00 1.00 O ATOM 350 OE2 GLU A 26 -16.963 -6.130 8.683 1.00 1.00 O ATOM 0 H GLU A 26 -13.304 -3.560 10.094 1.00 1.00 H new ATOM 0 HA GLU A 26 -13.477 -5.781 8.327 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -14.027 -2.773 8.122 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -14.286 -3.836 6.754 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -15.675 -4.103 9.449 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -16.367 -3.325 8.039 1.00 1.00 H new ATOM 357 N ASN A 27 -10.892 -3.865 7.896 1.00 1.00 N ATOM 358 CA ASN A 27 -9.689 -3.550 7.108 1.00 1.00 C ATOM 359 C ASN A 27 -8.372 -3.787 7.879 1.00 1.00 C ATOM 360 O ASN A 27 -7.407 -3.031 7.728 1.00 1.00 O ATOM 361 CB ASN A 27 -9.807 -2.098 6.613 1.00 1.00 C ATOM 362 CG ASN A 27 -11.026 -1.834 5.751 1.00 1.00 C ATOM 363 OD1 ASN A 27 -11.033 -2.069 4.551 1.00 1.00 O ATOM 364 ND2 ASN A 27 -12.091 -1.337 6.339 1.00 1.00 N ATOM 0 H ASN A 27 -10.861 -3.478 8.839 1.00 1.00 H new ATOM 0 HA ASN A 27 -9.640 -4.235 6.261 1.00 1.00 H new ATOM 0 HB2 ASN A 27 -9.835 -1.433 7.476 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -8.912 -1.846 6.044 1.00 1.00 H new ATOM 0 HD21 ASN A 27 -12.931 -1.145 5.794 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -12.077 -1.144 7.340 1.00 1.00 H new ATOM 371 N SER A 28 -8.317 -4.818 8.729 1.00 1.00 N ATOM 372 CA SER A 28 -7.153 -5.139 9.582 1.00 1.00 C ATOM 373 C SER A 28 -5.827 -5.372 8.833 1.00 1.00 C ATOM 374 O SER A 28 -4.756 -5.372 9.446 1.00 1.00 O ATOM 375 CB SER A 28 -7.471 -6.333 10.485 1.00 1.00 C ATOM 376 OG SER A 28 -8.581 -6.039 11.320 1.00 1.00 O ATOM 0 H SER A 28 -9.092 -5.469 8.850 1.00 1.00 H new ATOM 0 HA SER A 28 -6.984 -4.241 10.177 1.00 1.00 H new ATOM 0 HB2 SER A 28 -7.688 -7.210 9.876 1.00 1.00 H new ATOM 0 HB3 SER A 28 -6.602 -6.577 11.096 1.00 1.00 H new ATOM 0 HG SER A 28 -8.896 -5.129 11.138 1.00 1.00 H new ATOM 382 N HIS A 29 -5.870 -5.541 7.508 1.00 1.00 N ATOM 383 CA HIS A 29 -4.704 -5.682 6.628 1.00 1.00 C ATOM 384 C HIS A 29 -4.015 -4.338 6.313 1.00 1.00 C ATOM 385 O HIS A 29 -2.847 -4.339 5.919 1.00 1.00 O ATOM 386 CB HIS A 29 -5.144 -6.385 5.331 1.00 1.00 C ATOM 387 CG HIS A 29 -6.179 -5.642 4.512 1.00 1.00 C ATOM 388 ND1 HIS A 29 -7.443 -5.236 4.959 1.00 1.00 N ATOM 389 CD2 HIS A 29 -6.046 -5.288 3.201 1.00 1.00 C ATOM 390 CE1 HIS A 29 -8.034 -4.640 3.908 1.00 1.00 C ATOM 391 NE2 HIS A 29 -7.216 -4.655 2.842 1.00 1.00 N ATOM 0 H HIS A 29 -6.752 -5.585 6.998 1.00 1.00 H new ATOM 0 HA HIS A 29 -3.960 -6.281 7.153 1.00 1.00 H new ATOM 0 HB2 HIS A 29 -4.264 -6.550 4.710 1.00 1.00 H new ATOM 0 HB3 HIS A 29 -5.543 -7.367 5.586 1.00 1.00 H new ATOM 0 HD2 HIS A 29 -5.190 -5.469 2.568 1.00 1.00 H new ATOM 0 HE1 HIS A 29 -9.025 -4.211 3.919 1.00 1.00 H new ATOM 0 HE2 HIS A 29 -7.426 -4.264 1.923 1.00 1.00 H new ATOM 399 N ILE A 30 -4.708 -3.203 6.500 1.00 1.00 N ATOM 400 CA ILE A 30 -4.213 -1.836 6.223 1.00 1.00 C ATOM 401 C ILE A 30 -4.430 -0.825 7.362 1.00 1.00 C ATOM 402 O ILE A 30 -3.723 0.184 7.411 1.00 1.00 O ATOM 403 CB ILE A 30 -4.806 -1.283 4.905 1.00 1.00 C ATOM 404 CG1 ILE A 30 -6.352 -1.317 4.906 1.00 1.00 C ATOM 405 CG2 ILE A 30 -4.203 -2.026 3.703 1.00 1.00 C ATOM 406 CD1 ILE A 30 -7.011 -0.659 3.690 1.00 1.00 C ATOM 0 H ILE A 30 -5.662 -3.207 6.861 1.00 1.00 H new ATOM 0 HA ILE A 30 -3.133 -1.950 6.128 1.00 1.00 H new ATOM 0 HB ILE A 30 -4.533 -0.231 4.820 1.00 1.00 H new ATOM 0 HG12 ILE A 30 -6.678 -2.356 4.960 1.00 1.00 H new ATOM 0 HG13 ILE A 30 -6.711 -0.822 5.808 1.00 1.00 H new ATOM 0 HG21 ILE A 30 -4.627 -1.630 2.780 1.00 1.00 H new ATOM 0 HG22 ILE A 30 -3.122 -1.888 3.695 1.00 1.00 H new ATOM 0 HG23 ILE A 30 -4.432 -3.089 3.780 1.00 1.00 H new ATOM 0 HD11 ILE A 30 -8.095 -0.732 3.780 1.00 1.00 H new ATOM 0 HD12 ILE A 30 -6.721 0.391 3.642 1.00 1.00 H new ATOM 0 HD13 ILE A 30 -6.687 -1.167 2.781 1.00 1.00 H new ATOM 418 N PHE A 31 -5.349 -1.088 8.290 1.00 1.00 N ATOM 419 CA PHE A 31 -5.635 -0.256 9.465 1.00 1.00 C ATOM 420 C PHE A 31 -5.414 -1.087 10.738 1.00 1.00 C ATOM 421 O PHE A 31 -5.591 -2.307 10.738 1.00 1.00 O ATOM 422 CB PHE A 31 -7.099 0.230 9.444 1.00 1.00 C ATOM 423 CG PHE A 31 -7.616 0.992 8.233 1.00 1.00 C ATOM 424 CD1 PHE A 31 -6.764 1.686 7.349 1.00 1.00 C ATOM 425 CD2 PHE A 31 -9.005 1.005 7.998 1.00 1.00 C ATOM 426 CE1 PHE A 31 -7.290 2.301 6.198 1.00 1.00 C ATOM 427 CE2 PHE A 31 -9.531 1.617 6.848 1.00 1.00 C ATOM 428 CZ PHE A 31 -8.669 2.246 5.937 1.00 1.00 C ATOM 0 H PHE A 31 -5.940 -1.918 8.245 1.00 1.00 H new ATOM 0 HA PHE A 31 -4.970 0.608 9.449 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -7.736 -0.645 9.576 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.245 0.866 10.317 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -5.706 1.746 7.556 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -9.672 0.540 8.709 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -6.632 2.816 5.514 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -10.595 1.603 6.666 1.00 1.00 H new ATOM 0 HZ PHE A 31 -9.066 2.688 5.035 1.00 1.00 H new ATOM 438 N SER A 32 -5.051 -0.433 11.838 1.00 1.00 N ATOM 439 CA SER A 32 -4.836 -1.073 13.142 1.00 1.00 C ATOM 440 C SER A 32 -5.026 -0.092 14.303 1.00 1.00 C ATOM 441 O SER A 32 -5.141 1.122 14.112 1.00 1.00 O ATOM 442 CB SER A 32 -3.439 -1.709 13.202 1.00 1.00 C ATOM 443 OG SER A 32 -2.432 -0.718 13.248 1.00 1.00 O ATOM 0 H SER A 32 -4.894 0.575 11.853 1.00 1.00 H new ATOM 0 HA SER A 32 -5.589 -1.854 13.249 1.00 1.00 H new ATOM 0 HB2 SER A 32 -3.365 -2.349 14.081 1.00 1.00 H new ATOM 0 HB3 SER A 32 -3.288 -2.346 12.330 1.00 1.00 H new ATOM 0 HG SER A 32 -2.614 -0.035 12.569 1.00 1.00 H new ATOM 449 N ASP A 33 -5.037 -0.622 15.526 1.00 1.00 N ATOM 450 CA ASP A 33 -5.184 0.146 16.768 1.00 1.00 C ATOM 451 C ASP A 33 -4.067 1.191 17.002 1.00 1.00 C ATOM 452 O ASP A 33 -4.253 2.115 17.796 1.00 1.00 O ATOM 453 CB ASP A 33 -5.234 -0.861 17.927 1.00 1.00 C ATOM 454 CG ASP A 33 -5.628 -0.212 19.261 1.00 1.00 C ATOM 455 OD1 ASP A 33 -6.751 0.340 19.338 1.00 1.00 O ATOM 456 OD2 ASP A 33 -4.847 -0.297 20.239 1.00 1.00 O ATOM 0 H ASP A 33 -4.941 -1.625 15.687 1.00 1.00 H new ATOM 0 HA ASP A 33 -6.101 0.731 16.699 1.00 1.00 H new ATOM 0 HB2 ASP A 33 -5.947 -1.649 17.687 1.00 1.00 H new ATOM 0 HB3 ASP A 33 -4.258 -1.335 18.033 1.00 1.00 H new ATOM 461 N THR A 34 -2.915 1.055 16.328 1.00 1.00 N ATOM 462 CA THR A 34 -1.734 1.925 16.501 1.00 1.00 C ATOM 463 C THR A 34 -1.061 2.404 15.204 1.00 1.00 C ATOM 464 O THR A 34 -0.058 3.116 15.285 1.00 1.00 O ATOM 465 CB THR A 34 -0.675 1.244 17.392 1.00 1.00 C ATOM 466 OG1 THR A 34 -0.300 -0.007 16.845 1.00 1.00 O ATOM 467 CG2 THR A 34 -1.168 1.001 18.819 1.00 1.00 C ATOM 0 H THR A 34 -2.772 0.323 15.632 1.00 1.00 H new ATOM 0 HA THR A 34 -2.138 2.819 16.977 1.00 1.00 H new ATOM 0 HB THR A 34 0.173 1.928 17.427 1.00 1.00 H new ATOM 0 HG1 THR A 34 0.374 -0.427 17.420 1.00 1.00 H new ATOM 0 HG21 THR A 34 -0.381 0.520 19.399 1.00 1.00 H new ATOM 0 HG22 THR A 34 -1.429 1.953 19.281 1.00 1.00 H new ATOM 0 HG23 THR A 34 -2.047 0.357 18.796 1.00 1.00 H new ATOM 475 N GLN A 35 -1.565 2.073 14.007 1.00 1.00 N ATOM 476 CA GLN A 35 -0.968 2.506 12.729 1.00 1.00 C ATOM 477 C GLN A 35 -1.929 2.388 11.528 1.00 1.00 C ATOM 478 O GLN A 35 -2.698 1.431 11.432 1.00 1.00 O ATOM 479 CB GLN A 35 0.286 1.635 12.467 1.00 1.00 C ATOM 480 CG GLN A 35 1.167 2.111 11.298 1.00 1.00 C ATOM 481 CD GLN A 35 2.419 1.251 11.111 1.00 1.00 C ATOM 482 OE1 GLN A 35 2.407 0.031 11.227 1.00 1.00 O ATOM 483 NE2 GLN A 35 3.553 1.846 10.806 1.00 1.00 N ATOM 0 H GLN A 35 -2.399 1.497 13.894 1.00 1.00 H new ATOM 0 HA GLN A 35 -0.721 3.564 12.821 1.00 1.00 H new ATOM 0 HB2 GLN A 35 0.891 1.611 13.374 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -0.034 0.612 12.270 1.00 1.00 H new ATOM 0 HG2 GLN A 35 0.582 2.097 10.379 1.00 1.00 H new ATOM 0 HG3 GLN A 35 1.465 3.145 11.471 1.00 1.00 H new ATOM 0 HE21 GLN A 35 3.585 2.860 10.705 1.00 1.00 H new ATOM 0 HE22 GLN A 35 4.399 1.293 10.671 1.00 1.00 H new ATOM 492 N CYS A 36 -1.815 3.314 10.569 1.00 1.00 N ATOM 493 CA CYS A 36 -2.543 3.310 9.291 1.00 1.00 C ATOM 494 C CYS A 36 -1.535 3.195 8.135 1.00 1.00 C ATOM 495 O CYS A 36 -0.715 4.096 7.936 1.00 1.00 O ATOM 496 CB CYS A 36 -3.367 4.597 9.137 1.00 1.00 C ATOM 497 SG CYS A 36 -4.234 4.730 7.547 1.00 1.00 S ATOM 0 H CYS A 36 -1.192 4.116 10.663 1.00 1.00 H new ATOM 0 HA CYS A 36 -3.225 2.460 9.272 1.00 1.00 H new ATOM 0 HB2 CYS A 36 -4.098 4.647 9.944 1.00 1.00 H new ATOM 0 HB3 CYS A 36 -2.706 5.456 9.252 1.00 1.00 H new ATOM 0 HG CYS A 36 -4.063 5.922 7.058 1.00 1.00 H new ATOM 502 N LYS A 37 -1.580 2.102 7.359 1.00 1.00 N ATOM 503 CA LYS A 37 -0.666 1.865 6.221 1.00 1.00 C ATOM 504 C LYS A 37 -0.981 2.728 4.997 1.00 1.00 C ATOM 505 O LYS A 37 -0.052 3.184 4.335 1.00 1.00 O ATOM 506 CB LYS A 37 -0.692 0.387 5.806 1.00 1.00 C ATOM 507 CG LYS A 37 -0.300 -0.573 6.939 1.00 1.00 C ATOM 508 CD LYS A 37 -0.134 -1.983 6.363 1.00 1.00 C ATOM 509 CE LYS A 37 -0.033 -3.031 7.476 1.00 1.00 C ATOM 510 NZ LYS A 37 -0.134 -4.406 6.922 1.00 1.00 N ATOM 0 H LYS A 37 -2.254 1.350 7.501 1.00 1.00 H new ATOM 0 HA LYS A 37 0.326 2.146 6.575 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -1.692 0.134 5.455 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -0.013 0.241 4.966 1.00 1.00 H new ATOM 0 HG2 LYS A 37 0.629 -0.245 7.406 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -1.065 -0.571 7.716 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -0.980 -2.216 5.717 1.00 1.00 H new ATOM 0 HD3 LYS A 37 0.761 -2.021 5.742 1.00 1.00 H new ATOM 0 HE2 LYS A 37 0.914 -2.916 8.004 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -0.826 -2.870 8.206 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 0.038 -5.099 7.678 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -1.085 -4.553 6.528 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 0.574 -4.530 6.171 1.00 1.00 H new ATOM 524 N VAL A 38 -2.263 2.987 4.709 1.00 1.00 N ATOM 525 CA VAL A 38 -2.698 3.826 3.565 1.00 1.00 C ATOM 526 C VAL A 38 -2.084 5.227 3.636 1.00 1.00 C ATOM 527 O VAL A 38 -1.633 5.766 2.627 1.00 1.00 O ATOM 528 CB VAL A 38 -4.236 3.923 3.483 1.00 1.00 C ATOM 529 CG1 VAL A 38 -4.702 4.854 2.356 1.00 1.00 C ATOM 530 CG2 VAL A 38 -4.843 2.539 3.233 1.00 1.00 C ATOM 0 H VAL A 38 -3.039 2.622 5.262 1.00 1.00 H new ATOM 0 HA VAL A 38 -2.339 3.337 2.659 1.00 1.00 H new ATOM 0 HB VAL A 38 -4.571 4.329 4.437 1.00 1.00 H new ATOM 0 HG11 VAL A 38 -5.791 4.889 2.340 1.00 1.00 H new ATOM 0 HG12 VAL A 38 -4.310 5.857 2.527 1.00 1.00 H new ATOM 0 HG13 VAL A 38 -4.337 4.479 1.400 1.00 1.00 H new ATOM 0 HG21 VAL A 38 -5.928 2.622 3.177 1.00 1.00 H new ATOM 0 HG22 VAL A 38 -4.461 2.139 2.294 1.00 1.00 H new ATOM 0 HG23 VAL A 38 -4.572 1.870 4.050 1.00 1.00 H new ATOM 540 N CYS A 39 -2.031 5.796 4.840 1.00 1.00 N ATOM 541 CA CYS A 39 -1.459 7.109 5.125 1.00 1.00 C ATOM 542 C CYS A 39 -0.033 7.015 5.712 1.00 1.00 C ATOM 543 O CYS A 39 0.546 8.035 6.085 1.00 1.00 O ATOM 544 CB CYS A 39 -2.445 7.807 6.060 1.00 1.00 C ATOM 545 SG CYS A 39 -4.131 7.908 5.388 1.00 1.00 S ATOM 0 H CYS A 39 -2.399 5.337 5.673 1.00 1.00 H new ATOM 0 HA CYS A 39 -1.328 7.687 4.210 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -2.472 7.274 7.010 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -2.085 8.814 6.269 1.00 1.00 H new ATOM 0 HG CYS A 39 -4.976 7.456 6.266 1.00 1.00 H new ATOM 550 N SER A 40 0.519 5.792 5.787 1.00 1.00 N ATOM 551 CA SER A 40 1.829 5.403 6.335 1.00 1.00 C ATOM 552 C SER A 40 2.230 6.223 7.572 1.00 1.00 C ATOM 553 O SER A 40 3.276 6.878 7.611 1.00 1.00 O ATOM 554 CB SER A 40 2.883 5.402 5.218 1.00 1.00 C ATOM 555 OG SER A 40 4.067 4.734 5.626 1.00 1.00 O ATOM 0 H SER A 40 0.015 4.979 5.434 1.00 1.00 H new ATOM 0 HA SER A 40 1.756 4.383 6.712 1.00 1.00 H new ATOM 0 HB2 SER A 40 2.476 4.916 4.331 1.00 1.00 H new ATOM 0 HB3 SER A 40 3.120 6.428 4.938 1.00 1.00 H new ATOM 0 HG SER A 40 4.719 4.748 4.895 1.00 1.00 H new ATOM 561 N ALA A 41 1.350 6.209 8.576 1.00 1.00 N ATOM 562 CA ALA A 41 1.479 6.984 9.811 1.00 1.00 C ATOM 563 C ALA A 41 1.116 6.180 11.069 1.00 1.00 C ATOM 564 O ALA A 41 0.202 5.350 11.061 1.00 1.00 O ATOM 565 CB ALA A 41 0.594 8.232 9.685 1.00 1.00 C ATOM 0 H ALA A 41 0.503 5.641 8.551 1.00 1.00 H new ATOM 0 HA ALA A 41 2.525 7.263 9.935 1.00 1.00 H new ATOM 0 HB1 ALA A 41 0.673 8.827 10.595 1.00 1.00 H new ATOM 0 HB2 ALA A 41 0.923 8.827 8.833 1.00 1.00 H new ATOM 0 HB3 ALA A 41 -0.443 7.929 9.538 1.00 1.00 H new ATOM 571 N VAL A 42 1.826 6.460 12.165 1.00 1.00 N ATOM 572 CA VAL A 42 1.626 5.835 13.484 1.00 1.00 C ATOM 573 C VAL A 42 0.570 6.623 14.273 1.00 1.00 C ATOM 574 O VAL A 42 0.436 7.841 14.132 1.00 1.00 O ATOM 575 CB VAL A 42 2.969 5.758 14.247 1.00 1.00 C ATOM 576 CG1 VAL A 42 2.849 5.138 15.646 1.00 1.00 C ATOM 577 CG2 VAL A 42 3.982 4.903 13.470 1.00 1.00 C ATOM 0 H VAL A 42 2.579 7.148 12.164 1.00 1.00 H new ATOM 0 HA VAL A 42 1.262 4.815 13.356 1.00 1.00 H new ATOM 0 HB VAL A 42 3.296 6.793 14.347 1.00 1.00 H new ATOM 0 HG11 VAL A 42 3.830 5.117 16.120 1.00 1.00 H new ATOM 0 HG12 VAL A 42 2.166 5.734 16.251 1.00 1.00 H new ATOM 0 HG13 VAL A 42 2.465 4.121 15.562 1.00 1.00 H new ATOM 0 HG21 VAL A 42 4.921 4.860 14.022 1.00 1.00 H new ATOM 0 HG22 VAL A 42 3.588 3.894 13.346 1.00 1.00 H new ATOM 0 HG23 VAL A 42 4.157 5.347 12.490 1.00 1.00 H new ATOM 587 N LEU A 43 -0.186 5.909 15.104 1.00 1.00 N ATOM 588 CA LEU A 43 -1.312 6.381 15.911 1.00 1.00 C ATOM 589 C LEU A 43 -1.018 6.085 17.392 1.00 1.00 C ATOM 590 O LEU A 43 -1.507 5.117 17.973 1.00 1.00 O ATOM 591 CB LEU A 43 -2.606 5.724 15.372 1.00 1.00 C ATOM 592 CG LEU A 43 -2.845 5.916 13.859 1.00 1.00 C ATOM 593 CD1 LEU A 43 -4.023 5.072 13.382 1.00 1.00 C ATOM 594 CD2 LEU A 43 -3.108 7.379 13.507 1.00 1.00 C ATOM 0 H LEU A 43 -0.016 4.913 15.242 1.00 1.00 H new ATOM 0 HA LEU A 43 -1.455 7.459 15.839 1.00 1.00 H new ATOM 0 HB2 LEU A 43 -2.572 4.656 15.588 1.00 1.00 H new ATOM 0 HB3 LEU A 43 -3.458 6.132 15.915 1.00 1.00 H new ATOM 0 HG LEU A 43 -1.934 5.593 13.355 1.00 1.00 H new ATOM 0 HD11 LEU A 43 -4.171 5.225 12.313 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -3.817 4.019 13.573 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -4.924 5.368 13.919 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -3.271 7.471 12.433 1.00 1.00 H new ATOM 0 HD22 LEU A 43 -3.993 7.728 14.040 1.00 1.00 H new ATOM 0 HD23 LEU A 43 -2.248 7.983 13.797 1.00 1.00 H new ATOM 606 N ILE A 44 -0.135 6.905 17.973 1.00 1.00 N ATOM 607 CA ILE A 44 0.415 6.791 19.342 1.00 1.00 C ATOM 608 C ILE A 44 -0.599 6.708 20.502 1.00 1.00 C ATOM 609 O ILE A 44 -0.225 6.310 21.607 1.00 1.00 O ATOM 610 CB ILE A 44 1.435 7.927 19.603 1.00 1.00 C ATOM 611 CG1 ILE A 44 0.773 9.326 19.547 1.00 1.00 C ATOM 612 CG2 ILE A 44 2.621 7.813 18.626 1.00 1.00 C ATOM 613 CD1 ILE A 44 1.707 10.473 19.955 1.00 1.00 C ATOM 0 H ILE A 44 0.241 7.714 17.478 1.00 1.00 H new ATOM 0 HA ILE A 44 0.894 5.812 19.348 1.00 1.00 H new ATOM 0 HB ILE A 44 1.817 7.811 20.617 1.00 1.00 H new ATOM 0 HG12 ILE A 44 0.413 9.506 18.534 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -0.099 9.331 20.201 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.331 8.617 18.820 1.00 1.00 H new ATOM 0 HG22 ILE A 44 3.115 6.851 18.765 1.00 1.00 H new ATOM 0 HG23 ILE A 44 2.257 7.890 17.601 1.00 1.00 H new ATOM 0 HD11 ILE A 44 1.171 11.420 19.890 1.00 1.00 H new ATOM 0 HD12 ILE A 44 2.047 10.318 20.979 1.00 1.00 H new ATOM 0 HD13 ILE A 44 2.568 10.497 19.286 1.00 1.00 H new ATOM 625 N SER A 45 -1.868 7.063 20.280 1.00 1.00 N ATOM 626 CA SER A 45 -2.948 7.010 21.278 1.00 1.00 C ATOM 627 C SER A 45 -4.314 6.874 20.599 1.00 1.00 C ATOM 628 O SER A 45 -4.468 7.215 19.423 1.00 1.00 O ATOM 629 CB SER A 45 -2.922 8.278 22.143 1.00 1.00 C ATOM 630 OG SER A 45 -3.800 8.143 23.248 1.00 1.00 O ATOM 0 H SER A 45 -2.185 7.406 19.373 1.00 1.00 H new ATOM 0 HA SER A 45 -2.789 6.136 21.909 1.00 1.00 H new ATOM 0 HB2 SER A 45 -1.908 8.463 22.497 1.00 1.00 H new ATOM 0 HB3 SER A 45 -3.213 9.141 21.543 1.00 1.00 H new ATOM 0 HG SER A 45 -3.771 8.959 23.791 1.00 1.00 H new ATOM 636 N GLU A 46 -5.327 6.409 21.334 1.00 1.00 N ATOM 637 CA GLU A 46 -6.699 6.255 20.832 1.00 1.00 C ATOM 638 C GLU A 46 -7.291 7.576 20.319 1.00 1.00 C ATOM 639 O GLU A 46 -7.965 7.573 19.294 1.00 1.00 O ATOM 640 CB GLU A 46 -7.571 5.609 21.919 1.00 1.00 C ATOM 641 CG GLU A 46 -9.003 5.349 21.434 1.00 1.00 C ATOM 642 CD GLU A 46 -9.656 4.211 22.232 1.00 1.00 C ATOM 643 OE1 GLU A 46 -10.275 4.471 23.292 1.00 1.00 O ATOM 644 OE2 GLU A 46 -9.542 3.043 21.785 1.00 1.00 O ATOM 0 H GLU A 46 -5.218 6.125 22.307 1.00 1.00 H new ATOM 0 HA GLU A 46 -6.676 5.595 19.965 1.00 1.00 H new ATOM 0 HB2 GLU A 46 -7.119 4.668 22.233 1.00 1.00 H new ATOM 0 HB3 GLU A 46 -7.598 6.258 22.794 1.00 1.00 H new ATOM 0 HG2 GLU A 46 -9.596 6.257 21.537 1.00 1.00 H new ATOM 0 HG3 GLU A 46 -8.991 5.095 20.374 1.00 1.00 H new ATOM 651 N SER A 47 -7.000 8.716 20.952 1.00 1.00 N ATOM 652 CA SER A 47 -7.455 10.029 20.466 1.00 1.00 C ATOM 653 C SER A 47 -6.887 10.354 19.078 1.00 1.00 C ATOM 654 O SER A 47 -7.619 10.824 18.204 1.00 1.00 O ATOM 655 CB SER A 47 -7.100 11.128 21.469 1.00 1.00 C ATOM 656 OG SER A 47 -5.722 11.081 21.814 1.00 1.00 O ATOM 0 H SER A 47 -6.448 8.759 21.808 1.00 1.00 H new ATOM 0 HA SER A 47 -8.540 9.983 20.369 1.00 1.00 H new ATOM 0 HB2 SER A 47 -7.339 12.103 21.044 1.00 1.00 H new ATOM 0 HB3 SER A 47 -7.707 11.015 22.367 1.00 1.00 H new ATOM 0 HG SER A 47 -5.521 11.795 22.455 1.00 1.00 H new ATOM 662 N GLN A 48 -5.609 10.035 18.837 1.00 1.00 N ATOM 663 CA GLN A 48 -4.968 10.187 17.527 1.00 1.00 C ATOM 664 C GLN A 48 -5.567 9.198 16.518 1.00 1.00 C ATOM 665 O GLN A 48 -5.852 9.591 15.386 1.00 1.00 O ATOM 666 CB GLN A 48 -3.440 10.004 17.639 1.00 1.00 C ATOM 667 CG GLN A 48 -2.692 11.325 17.880 1.00 1.00 C ATOM 668 CD GLN A 48 -3.116 12.044 19.161 1.00 1.00 C ATOM 669 OE1 GLN A 48 -3.960 12.932 19.159 1.00 1.00 O ATOM 670 NE2 GLN A 48 -2.541 11.708 20.296 1.00 1.00 N ATOM 0 H GLN A 48 -4.986 9.661 19.553 1.00 1.00 H new ATOM 0 HA GLN A 48 -5.158 11.198 17.167 1.00 1.00 H new ATOM 0 HB2 GLN A 48 -3.221 9.315 18.455 1.00 1.00 H new ATOM 0 HB3 GLN A 48 -3.067 9.543 16.724 1.00 1.00 H new ATOM 0 HG2 GLN A 48 -1.622 11.124 17.924 1.00 1.00 H new ATOM 0 HG3 GLN A 48 -2.858 11.987 17.030 1.00 1.00 H new ATOM 0 HE21 GLN A 48 -1.837 10.970 20.312 1.00 1.00 H new ATOM 0 HE22 GLN A 48 -2.800 12.185 21.160 1.00 1.00 H new ATOM 679 N LYS A 49 -5.806 7.937 16.914 1.00 1.00 N ATOM 680 CA LYS A 49 -6.430 6.918 16.047 1.00 1.00 C ATOM 681 C LYS A 49 -7.827 7.361 15.600 1.00 1.00 C ATOM 682 O LYS A 49 -8.130 7.340 14.410 1.00 1.00 O ATOM 683 CB LYS A 49 -6.373 5.525 16.735 1.00 1.00 C ATOM 684 CG LYS A 49 -7.720 4.865 17.092 1.00 1.00 C ATOM 685 CD LYS A 49 -7.564 3.553 17.872 1.00 1.00 C ATOM 686 CE LYS A 49 -8.964 3.040 18.229 1.00 1.00 C ATOM 687 NZ LYS A 49 -8.942 1.990 19.278 1.00 1.00 N ATOM 0 H LYS A 49 -5.572 7.593 17.845 1.00 1.00 H new ATOM 0 HA LYS A 49 -5.863 6.814 15.122 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -5.826 4.846 16.081 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -5.791 5.623 17.651 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -8.313 5.563 17.683 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -8.276 4.671 16.175 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -7.030 2.815 17.273 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -6.976 3.715 18.776 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -9.576 3.875 18.570 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -9.439 2.642 17.333 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -9.694 1.296 19.090 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -8.019 1.511 19.271 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -9.098 2.426 20.209 1.00 1.00 H new ATOM 701 N LEU A 50 -8.650 7.831 16.539 1.00 1.00 N ATOM 702 CA LEU A 50 -10.002 8.331 16.280 1.00 1.00 C ATOM 703 C LEU A 50 -9.967 9.534 15.331 1.00 1.00 C ATOM 704 O LEU A 50 -10.642 9.518 14.304 1.00 1.00 O ATOM 705 CB LEU A 50 -10.688 8.676 17.618 1.00 1.00 C ATOM 706 CG LEU A 50 -11.087 7.444 18.457 1.00 1.00 C ATOM 707 CD1 LEU A 50 -11.544 7.886 19.843 1.00 1.00 C ATOM 708 CD2 LEU A 50 -12.234 6.645 17.840 1.00 1.00 C ATOM 0 H LEU A 50 -8.389 7.876 17.524 1.00 1.00 H new ATOM 0 HA LEU A 50 -10.585 7.554 15.785 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -10.018 9.302 18.207 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -11.580 9.268 17.415 1.00 1.00 H new ATOM 0 HG LEU A 50 -10.201 6.811 18.500 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -11.824 7.011 20.430 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -10.732 8.413 20.343 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -12.403 8.550 19.748 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -12.467 5.792 18.477 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -13.114 7.282 17.750 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -11.940 6.290 16.852 1.00 1.00 H new ATOM 720 N ALA A 51 -9.152 10.551 15.625 1.00 1.00 N ATOM 721 CA ALA A 51 -9.019 11.725 14.764 1.00 1.00 C ATOM 722 C ALA A 51 -8.527 11.374 13.349 1.00 1.00 C ATOM 723 O ALA A 51 -9.033 11.925 12.370 1.00 1.00 O ATOM 724 CB ALA A 51 -8.097 12.738 15.452 1.00 1.00 C ATOM 0 H ALA A 51 -8.570 10.582 16.462 1.00 1.00 H new ATOM 0 HA ALA A 51 -10.006 12.165 14.624 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -7.989 13.619 14.820 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -8.527 13.029 16.410 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -7.118 12.287 15.616 1.00 1.00 H new ATOM 730 N HIS A 52 -7.573 10.446 13.220 1.00 1.00 N ATOM 731 CA HIS A 52 -7.048 10.020 11.925 1.00 1.00 C ATOM 732 C HIS A 52 -8.098 9.262 11.095 1.00 1.00 C ATOM 733 O HIS A 52 -8.345 9.631 9.948 1.00 1.00 O ATOM 734 CB HIS A 52 -5.794 9.163 12.144 1.00 1.00 C ATOM 735 CG HIS A 52 -5.061 8.859 10.863 1.00 1.00 C ATOM 736 ND1 HIS A 52 -3.908 9.474 10.422 1.00 1.00 N ATOM 737 CD2 HIS A 52 -5.439 7.966 9.897 1.00 1.00 C ATOM 738 CE1 HIS A 52 -3.610 8.979 9.210 1.00 1.00 C ATOM 739 NE2 HIS A 52 -4.523 8.064 8.847 1.00 1.00 N ATOM 0 H HIS A 52 -7.144 9.970 14.014 1.00 1.00 H new ATOM 0 HA HIS A 52 -6.785 10.909 11.352 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -5.121 9.681 12.828 1.00 1.00 H new ATOM 0 HB3 HIS A 52 -6.079 8.227 12.625 1.00 1.00 H new ATOM 0 HD1 HIS A 52 -3.375 10.181 10.928 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -6.292 7.305 9.939 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -2.759 9.274 8.614 1.00 1.00 H new ATOM 747 N TYR A 53 -8.749 8.237 11.657 1.00 1.00 N ATOM 748 CA TYR A 53 -9.752 7.446 10.928 1.00 1.00 C ATOM 749 C TYR A 53 -11.029 8.236 10.583 1.00 1.00 C ATOM 750 O TYR A 53 -11.674 7.942 9.576 1.00 1.00 O ATOM 751 CB TYR A 53 -10.054 6.142 11.685 1.00 1.00 C ATOM 752 CG TYR A 53 -8.890 5.157 11.707 1.00 1.00 C ATOM 753 CD1 TYR A 53 -8.328 4.709 10.497 1.00 1.00 C ATOM 754 CD2 TYR A 53 -8.361 4.688 12.925 1.00 1.00 C ATOM 755 CE1 TYR A 53 -7.220 3.842 10.498 1.00 1.00 C ATOM 756 CE2 TYR A 53 -7.258 3.813 12.936 1.00 1.00 C ATOM 757 CZ TYR A 53 -6.679 3.395 11.720 1.00 1.00 C ATOM 758 OH TYR A 53 -5.612 2.556 11.725 1.00 1.00 O ATOM 0 H TYR A 53 -8.599 7.933 12.619 1.00 1.00 H new ATOM 0 HA TYR A 53 -9.318 7.190 9.962 1.00 1.00 H new ATOM 0 HB2 TYR A 53 -10.331 6.385 12.711 1.00 1.00 H new ATOM 0 HB3 TYR A 53 -10.917 5.659 11.227 1.00 1.00 H new ATOM 0 HD1 TYR A 53 -8.752 5.034 9.558 1.00 1.00 H new ATOM 0 HD2 TYR A 53 -8.805 5.002 13.858 1.00 1.00 H new ATOM 0 HE1 TYR A 53 -6.785 3.520 9.564 1.00 1.00 H new ATOM 0 HE2 TYR A 53 -6.856 3.462 13.875 1.00 1.00 H new ATOM 0 HH TYR A 53 -5.498 2.177 12.621 1.00 1.00 H new ATOM 768 N GLN A 54 -11.383 9.258 11.373 1.00 1.00 N ATOM 769 CA GLN A 54 -12.535 10.135 11.110 1.00 1.00 C ATOM 770 C GLN A 54 -12.195 11.322 10.179 1.00 1.00 C ATOM 771 O GLN A 54 -13.100 12.032 9.738 1.00 1.00 O ATOM 772 CB GLN A 54 -13.130 10.629 12.443 1.00 1.00 C ATOM 773 CG GLN A 54 -13.681 9.482 13.314 1.00 1.00 C ATOM 774 CD GLN A 54 -14.319 9.952 14.623 1.00 1.00 C ATOM 775 OE1 GLN A 54 -14.555 11.127 14.873 1.00 1.00 O ATOM 776 NE2 GLN A 54 -14.636 9.045 15.524 1.00 1.00 N ATOM 0 H GLN A 54 -10.873 9.503 12.222 1.00 1.00 H new ATOM 0 HA GLN A 54 -13.278 9.542 10.578 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -12.363 11.166 13.001 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -13.931 11.339 12.237 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -14.421 8.925 12.739 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -12.870 8.791 13.544 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -14.451 8.059 15.342 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -15.067 9.329 16.404 1.00 1.00 H new ATOM 785 N SER A 55 -10.913 11.554 9.867 1.00 1.00 N ATOM 786 CA SER A 55 -10.459 12.650 8.996 1.00 1.00 C ATOM 787 C SER A 55 -10.934 12.526 7.542 1.00 1.00 C ATOM 788 O SER A 55 -10.884 11.454 6.929 1.00 1.00 O ATOM 789 CB SER A 55 -8.927 12.735 9.004 1.00 1.00 C ATOM 790 OG SER A 55 -8.493 13.791 8.161 1.00 1.00 O ATOM 0 H SER A 55 -10.149 10.977 10.218 1.00 1.00 H new ATOM 0 HA SER A 55 -10.906 13.555 9.408 1.00 1.00 H new ATOM 0 HB2 SER A 55 -8.569 12.900 10.020 1.00 1.00 H new ATOM 0 HB3 SER A 55 -8.501 11.791 8.666 1.00 1.00 H new ATOM 0 HG SER A 55 -7.514 13.839 8.174 1.00 1.00 H new ATOM 796 N ARG A 56 -11.323 13.665 6.951 1.00 1.00 N ATOM 797 CA ARG A 56 -11.708 13.783 5.534 1.00 1.00 C ATOM 798 C ARG A 56 -10.531 13.468 4.599 1.00 1.00 C ATOM 799 O ARG A 56 -10.746 12.912 3.519 1.00 1.00 O ATOM 800 CB ARG A 56 -12.289 15.192 5.305 1.00 1.00 C ATOM 801 CG ARG A 56 -12.933 15.430 3.929 1.00 1.00 C ATOM 802 CD ARG A 56 -14.211 14.606 3.717 1.00 1.00 C ATOM 803 NE ARG A 56 -15.304 15.013 4.628 1.00 1.00 N ATOM 804 CZ ARG A 56 -16.202 15.964 4.433 1.00 1.00 C ATOM 805 NH1 ARG A 56 -16.231 16.688 3.349 1.00 1.00 N ATOM 806 NH2 ARG A 56 -17.103 16.212 5.340 1.00 1.00 N ATOM 0 H ARG A 56 -11.381 14.550 7.455 1.00 1.00 H new ATOM 0 HA ARG A 56 -12.472 13.044 5.294 1.00 1.00 H new ATOM 0 HB2 ARG A 56 -13.036 15.387 6.074 1.00 1.00 H new ATOM 0 HB3 ARG A 56 -11.491 15.921 5.444 1.00 1.00 H new ATOM 0 HG2 ARG A 56 -13.168 16.489 3.822 1.00 1.00 H new ATOM 0 HG3 ARG A 56 -12.213 15.182 3.149 1.00 1.00 H new ATOM 0 HD2 ARG A 56 -14.543 14.715 2.685 1.00 1.00 H new ATOM 0 HD3 ARG A 56 -13.988 13.550 3.870 1.00 1.00 H new ATOM 0 HE ARG A 56 -15.373 14.501 5.508 1.00 1.00 H new ATOM 0 HH11 ARG A 56 -15.544 16.530 2.612 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -16.941 17.412 3.238 1.00 1.00 H new ATOM 0 HH21 ARG A 56 -17.118 15.672 6.205 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -17.794 16.946 5.185 1.00 1.00 H new ATOM 820 N LYS A 57 -9.294 13.768 5.019 1.00 1.00 N ATOM 821 CA LYS A 57 -8.060 13.468 4.266 1.00 1.00 C ATOM 822 C LYS A 57 -7.826 11.957 4.175 1.00 1.00 C ATOM 823 O LYS A 57 -7.556 11.447 3.090 1.00 1.00 O ATOM 824 CB LYS A 57 -6.873 14.190 4.934 1.00 1.00 C ATOM 825 CG LYS A 57 -5.523 14.018 4.212 1.00 1.00 C ATOM 826 CD LYS A 57 -5.469 14.536 2.764 1.00 1.00 C ATOM 827 CE LYS A 57 -5.761 16.040 2.678 1.00 1.00 C ATOM 828 NZ LYS A 57 -5.594 16.555 1.293 1.00 1.00 N ATOM 0 H LYS A 57 -9.116 14.235 5.908 1.00 1.00 H new ATOM 0 HA LYS A 57 -8.161 13.832 3.244 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -7.102 15.254 4.998 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -6.772 13.824 5.956 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -4.755 14.531 4.791 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -5.266 12.959 4.209 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -4.484 14.334 2.344 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -6.192 13.991 2.157 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -6.779 16.233 3.018 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -5.093 16.579 3.350 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -5.800 17.574 1.274 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -4.616 16.393 0.978 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -6.249 16.058 0.656 1.00 1.00 H new ATOM 842 N HIS A 58 -7.991 11.239 5.293 1.00 1.00 N ATOM 843 CA HIS A 58 -7.872 9.774 5.346 1.00 1.00 C ATOM 844 C HIS A 58 -8.896 9.118 4.415 1.00 1.00 C ATOM 845 O HIS A 58 -8.519 8.304 3.575 1.00 1.00 O ATOM 846 CB HIS A 58 -8.045 9.294 6.797 1.00 1.00 C ATOM 847 CG HIS A 58 -8.164 7.795 6.939 1.00 1.00 C ATOM 848 ND1 HIS A 58 -7.101 6.899 7.088 1.00 1.00 N ATOM 849 CD2 HIS A 58 -9.334 7.089 6.915 1.00 1.00 C ATOM 850 CE1 HIS A 58 -7.656 5.679 7.143 1.00 1.00 C ATOM 851 NE2 HIS A 58 -8.994 5.762 7.047 1.00 1.00 N ATOM 0 H HIS A 58 -8.213 11.661 6.195 1.00 1.00 H new ATOM 0 HA HIS A 58 -6.881 9.480 5.002 1.00 1.00 H new ATOM 0 HB2 HIS A 58 -7.195 9.638 7.386 1.00 1.00 H new ATOM 0 HB3 HIS A 58 -8.935 9.760 7.219 1.00 1.00 H new ATOM 0 HD2 HIS A 58 -10.330 7.493 6.813 1.00 1.00 H new ATOM 0 HE1 HIS A 58 -7.104 4.757 7.250 1.00 1.00 H new ATOM 0 HE2 HIS A 58 -9.645 4.977 7.068 1.00 1.00 H new ATOM 859 N ALA A 59 -10.170 9.520 4.495 1.00 1.00 N ATOM 860 CA ALA A 59 -11.225 8.998 3.621 1.00 1.00 C ATOM 861 C ALA A 59 -10.913 9.224 2.127 1.00 1.00 C ATOM 862 O ALA A 59 -11.062 8.308 1.313 1.00 1.00 O ATOM 863 CB ALA A 59 -12.555 9.639 4.031 1.00 1.00 C ATOM 0 H ALA A 59 -10.497 10.215 5.166 1.00 1.00 H new ATOM 0 HA ALA A 59 -11.288 7.917 3.744 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -13.353 9.262 3.391 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -12.774 9.390 5.069 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -12.485 10.722 3.925 1.00 1.00 H new ATOM 869 N ASN A 60 -10.430 10.418 1.761 1.00 1.00 N ATOM 870 CA ASN A 60 -10.046 10.733 0.381 1.00 1.00 C ATOM 871 C ASN A 60 -8.860 9.884 -0.110 1.00 1.00 C ATOM 872 O ASN A 60 -8.880 9.444 -1.265 1.00 1.00 O ATOM 873 CB ASN A 60 -9.769 12.240 0.240 1.00 1.00 C ATOM 874 CG ASN A 60 -11.039 13.000 -0.098 1.00 1.00 C ATOM 875 OD1 ASN A 60 -11.417 13.124 -1.255 1.00 1.00 O ATOM 876 ND2 ASN A 60 -11.750 13.493 0.886 1.00 1.00 N ATOM 0 H ASN A 60 -10.295 11.191 2.413 1.00 1.00 H new ATOM 0 HA ASN A 60 -10.885 10.474 -0.265 1.00 1.00 H new ATOM 0 HB2 ASN A 60 -9.348 12.624 1.169 1.00 1.00 H new ATOM 0 HB3 ASN A 60 -9.025 12.405 -0.539 1.00 1.00 H new ATOM 0 HD21 ASN A 60 -12.623 13.983 0.689 1.00 1.00 H new ATOM 0 HD22 ASN A 60 -11.431 13.387 1.849 1.00 1.00 H new ATOM 883 N LYS A 61 -7.849 9.629 0.731 1.00 1.00 N ATOM 884 CA LYS A 61 -6.704 8.783 0.381 1.00 1.00 C ATOM 885 C LYS A 61 -7.118 7.314 0.249 1.00 1.00 C ATOM 886 O LYS A 61 -6.719 6.652 -0.707 1.00 1.00 O ATOM 887 CB LYS A 61 -5.587 8.990 1.417 1.00 1.00 C ATOM 888 CG LYS A 61 -4.242 8.632 0.788 1.00 1.00 C ATOM 889 CD LYS A 61 -3.084 8.897 1.757 1.00 1.00 C ATOM 890 CE LYS A 61 -1.735 8.494 1.153 1.00 1.00 C ATOM 891 NZ LYS A 61 -1.298 9.400 0.055 1.00 1.00 N ATOM 0 H LYS A 61 -7.804 10.006 1.678 1.00 1.00 H new ATOM 0 HA LYS A 61 -6.320 9.075 -0.596 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -5.578 10.026 1.757 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -5.769 8.368 2.294 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -4.242 7.581 0.498 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -4.098 9.214 -0.122 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -3.064 9.955 2.019 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -3.249 8.343 2.681 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -0.978 8.490 1.937 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -1.803 7.475 0.771 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -0.381 9.079 -0.315 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -2.004 9.385 -0.709 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -1.204 10.369 0.421 1.00 1.00 H new ATOM 905 N VAL A 62 -7.968 6.819 1.156 1.00 1.00 N ATOM 906 CA VAL A 62 -8.520 5.452 1.116 1.00 1.00 C ATOM 907 C VAL A 62 -9.313 5.215 -0.169 1.00 1.00 C ATOM 908 O VAL A 62 -9.141 4.166 -0.782 1.00 1.00 O ATOM 909 CB VAL A 62 -9.361 5.155 2.373 1.00 1.00 C ATOM 910 CG1 VAL A 62 -10.162 3.849 2.283 1.00 1.00 C ATOM 911 CG2 VAL A 62 -8.440 5.025 3.591 1.00 1.00 C ATOM 0 H VAL A 62 -8.299 7.363 1.953 1.00 1.00 H new ATOM 0 HA VAL A 62 -7.685 4.751 1.114 1.00 1.00 H new ATOM 0 HB VAL A 62 -10.060 5.987 2.462 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -10.729 3.706 3.203 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -10.848 3.901 1.438 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -9.478 3.012 2.144 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -9.037 4.815 4.478 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -7.734 4.211 3.428 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -7.893 5.957 3.734 1.00 1.00 H new ATOM 1397 N SER A 94 -7.105 -52.198 -29.630 1.00 1.00 N ATOM 1398 CA SER A 94 -7.324 -52.296 -31.085 1.00 1.00 C ATOM 1399 C SER A 94 -6.661 -51.135 -31.849 1.00 1.00 C ATOM 1400 O SER A 94 -6.979 -50.880 -33.011 1.00 1.00 O ATOM 1401 CB SER A 94 -8.825 -52.399 -31.380 1.00 1.00 C ATOM 1402 OG SER A 94 -9.516 -51.229 -30.964 1.00 1.00 O ATOM 0 HA SER A 94 -6.841 -53.205 -31.445 1.00 1.00 H new ATOM 0 HB2 SER A 94 -8.978 -52.553 -32.448 1.00 1.00 H new ATOM 0 HB3 SER A 94 -9.239 -53.269 -30.870 1.00 1.00 H new ATOM 0 HG SER A 94 -10.470 -51.323 -31.166 1.00 1.00 H new ATOM 1408 N LYS A 95 -5.733 -50.418 -31.195 1.00 1.00 N ATOM 1409 CA LYS A 95 -4.994 -49.258 -31.736 1.00 1.00 C ATOM 1410 C LYS A 95 -3.480 -49.478 -31.801 1.00 1.00 C ATOM 1411 O LYS A 95 -2.789 -48.789 -32.550 1.00 1.00 O ATOM 1412 CB LYS A 95 -5.269 -48.019 -30.864 1.00 1.00 C ATOM 1413 CG LYS A 95 -6.748 -47.710 -30.581 1.00 1.00 C ATOM 1414 CD LYS A 95 -7.615 -47.519 -31.836 1.00 1.00 C ATOM 1415 CE LYS A 95 -9.084 -47.238 -31.488 1.00 1.00 C ATOM 1416 NZ LYS A 95 -9.713 -48.353 -30.728 1.00 1.00 N ATOM 0 H LYS A 95 -5.464 -50.637 -30.236 1.00 1.00 H new ATOM 0 HA LYS A 95 -5.350 -49.116 -32.757 1.00 1.00 H new ATOM 0 HB2 LYS A 95 -4.757 -48.149 -29.911 1.00 1.00 H new ATOM 0 HB3 LYS A 95 -4.823 -47.151 -31.350 1.00 1.00 H new ATOM 0 HG2 LYS A 95 -7.167 -48.521 -29.986 1.00 1.00 H new ATOM 0 HG3 LYS A 95 -6.807 -46.806 -29.974 1.00 1.00 H new ATOM 0 HD2 LYS A 95 -7.219 -46.693 -32.427 1.00 1.00 H new ATOM 0 HD3 LYS A 95 -7.555 -48.413 -32.457 1.00 1.00 H new ATOM 0 HE2 LYS A 95 -9.146 -46.322 -30.901 1.00 1.00 H new ATOM 0 HE3 LYS A 95 -9.645 -47.067 -32.407 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 -10.748 -48.287 -30.808 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 -9.393 -49.263 -31.117 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 -9.438 -48.289 -29.727 1.00 1.00 H new ATOM 1430 N CYS A 96 -2.972 -50.436 -31.028 1.00 1.00 N ATOM 1431 CA CYS A 96 -1.554 -50.784 -30.927 1.00 1.00 C ATOM 1432 C CYS A 96 -1.295 -52.304 -30.903 1.00 1.00 C ATOM 1433 O CYS A 96 -2.206 -53.116 -30.727 1.00 1.00 O ATOM 1434 CB CYS A 96 -0.967 -50.079 -29.691 1.00 1.00 C ATOM 1435 SG CYS A 96 -1.695 -50.721 -28.152 1.00 1.00 S ATOM 0 H CYS A 96 -3.561 -51.016 -30.430 1.00 1.00 H new ATOM 0 HA CYS A 96 -1.050 -50.435 -31.828 1.00 1.00 H new ATOM 0 HB2 CYS A 96 0.114 -50.219 -29.670 1.00 1.00 H new ATOM 0 HB3 CYS A 96 -1.149 -49.007 -29.761 1.00 1.00 H new ATOM 0 HG CYS A 96 -1.173 -50.103 -27.134 1.00 1.00 H new ATOM 1441 N CYS A 97 -0.030 -52.681 -31.099 1.00 1.00 N ATOM 1442 CA CYS A 97 0.457 -54.058 -31.132 1.00 1.00 C ATOM 1443 C CYS A 97 1.880 -54.129 -30.545 1.00 1.00 C ATOM 1444 O CYS A 97 2.851 -53.994 -31.295 1.00 1.00 O ATOM 1445 CB CYS A 97 0.422 -54.547 -32.586 1.00 1.00 C ATOM 1446 SG CYS A 97 1.083 -56.212 -32.856 1.00 1.00 S ATOM 0 H CYS A 97 0.716 -52.001 -31.246 1.00 1.00 H new ATOM 0 HA CYS A 97 -0.177 -54.704 -30.524 1.00 1.00 H new ATOM 0 HB2 CYS A 97 -0.610 -54.522 -32.936 1.00 1.00 H new ATOM 0 HB3 CYS A 97 0.985 -53.846 -33.202 1.00 1.00 H new ATOM 0 HG CYS A 97 0.339 -56.840 -33.717 1.00 1.00 H new ATOM 1451 N PRO A 98 2.057 -54.337 -29.224 1.00 1.00 N ATOM 1452 CA PRO A 98 3.385 -54.416 -28.603 1.00 1.00 C ATOM 1453 C PRO A 98 4.177 -55.670 -29.022 1.00 1.00 C ATOM 1454 O PRO A 98 5.407 -55.667 -28.964 1.00 1.00 O ATOM 1455 CB PRO A 98 3.128 -54.365 -27.093 1.00 1.00 C ATOM 1456 CG PRO A 98 1.726 -54.957 -26.947 1.00 1.00 C ATOM 1457 CD PRO A 98 1.012 -54.500 -28.219 1.00 1.00 C ATOM 0 HA PRO A 98 4.018 -53.592 -28.932 1.00 1.00 H new ATOM 0 HB2 PRO A 98 3.868 -54.945 -26.541 1.00 1.00 H new ATOM 0 HB3 PRO A 98 3.174 -53.345 -26.713 1.00 1.00 H new ATOM 0 HG2 PRO A 98 1.755 -56.044 -26.871 1.00 1.00 H new ATOM 0 HG3 PRO A 98 1.226 -54.588 -26.051 1.00 1.00 H new ATOM 0 HD2 PRO A 98 0.273 -55.235 -28.538 1.00 1.00 H new ATOM 0 HD3 PRO A 98 0.479 -53.564 -28.053 1.00 1.00 H new ATOM 1465 N VAL A 99 3.494 -56.719 -29.505 1.00 1.00 N ATOM 1466 CA VAL A 99 4.092 -57.963 -30.045 1.00 1.00 C ATOM 1467 C VAL A 99 5.003 -57.676 -31.253 1.00 1.00 C ATOM 1468 O VAL A 99 5.979 -58.395 -31.481 1.00 1.00 O ATOM 1469 CB VAL A 99 2.963 -58.954 -30.419 1.00 1.00 C ATOM 1470 CG1 VAL A 99 3.423 -60.185 -31.210 1.00 1.00 C ATOM 1471 CG2 VAL A 99 2.257 -59.456 -29.152 1.00 1.00 C ATOM 0 H VAL A 99 2.474 -56.731 -29.534 1.00 1.00 H new ATOM 0 HA VAL A 99 4.721 -58.411 -29.276 1.00 1.00 H new ATOM 0 HB VAL A 99 2.297 -58.381 -31.064 1.00 1.00 H new ATOM 0 HG11 VAL A 99 2.564 -60.820 -31.426 1.00 1.00 H new ATOM 0 HG12 VAL A 99 3.883 -59.866 -32.145 1.00 1.00 H new ATOM 0 HG13 VAL A 99 4.150 -60.745 -30.621 1.00 1.00 H new ATOM 0 HG21 VAL A 99 1.465 -60.152 -29.428 1.00 1.00 H new ATOM 0 HG22 VAL A 99 2.978 -59.963 -28.510 1.00 1.00 H new ATOM 0 HG23 VAL A 99 1.826 -58.610 -28.616 1.00 1.00 H new ATOM 1481 N CYS A 100 4.700 -56.608 -32.000 1.00 1.00 N ATOM 1482 CA CYS A 100 5.417 -56.150 -33.196 1.00 1.00 C ATOM 1483 C CYS A 100 5.919 -54.691 -33.118 1.00 1.00 C ATOM 1484 O CYS A 100 6.626 -54.217 -34.008 1.00 1.00 O ATOM 1485 CB CYS A 100 4.463 -56.306 -34.379 1.00 1.00 C ATOM 1486 SG CYS A 100 3.880 -57.997 -34.692 1.00 1.00 S ATOM 0 H CYS A 100 3.906 -56.008 -31.775 1.00 1.00 H new ATOM 0 HA CYS A 100 6.317 -56.756 -33.300 1.00 1.00 H new ATOM 0 HB2 CYS A 100 3.596 -55.666 -34.212 1.00 1.00 H new ATOM 0 HB3 CYS A 100 4.961 -55.940 -35.277 1.00 1.00 H new ATOM 0 HG CYS A 100 2.741 -57.955 -35.318 1.00 1.00 H new ATOM 1491 N ASN A 101 5.531 -53.985 -32.056 1.00 1.00 N ATOM 1492 CA ASN A 101 5.790 -52.578 -31.744 1.00 1.00 C ATOM 1493 C ASN A 101 5.304 -51.620 -32.854 1.00 1.00 C ATOM 1494 O ASN A 101 6.075 -50.844 -33.427 1.00 1.00 O ATOM 1495 CB ASN A 101 7.256 -52.399 -31.299 1.00 1.00 C ATOM 1496 CG ASN A 101 7.541 -51.014 -30.733 1.00 1.00 C ATOM 1497 OD1 ASN A 101 6.689 -50.357 -30.151 1.00 1.00 O ATOM 1498 ND2 ASN A 101 8.754 -50.527 -30.872 1.00 1.00 N ATOM 0 H ASN A 101 4.975 -54.425 -31.323 1.00 1.00 H new ATOM 0 HA ASN A 101 5.181 -52.280 -30.891 1.00 1.00 H new ATOM 0 HB2 ASN A 101 7.496 -53.150 -30.546 1.00 1.00 H new ATOM 0 HB3 ASN A 101 7.913 -52.580 -32.150 1.00 1.00 H new ATOM 0 HD21 ASN A 101 8.980 -49.606 -30.496 1.00 1.00 H new ATOM 0 HD22 ASN A 101 9.469 -51.070 -31.356 1.00 1.00 H new ATOM 1505 N MET A 102 4.004 -51.701 -33.163 1.00 1.00 N ATOM 1506 CA MET A 102 3.316 -50.902 -34.197 1.00 1.00 C ATOM 1507 C MET A 102 1.933 -50.398 -33.739 1.00 1.00 C ATOM 1508 O MET A 102 1.422 -50.802 -32.691 1.00 1.00 O ATOM 1509 CB MET A 102 3.173 -51.728 -35.492 1.00 1.00 C ATOM 1510 CG MET A 102 4.522 -52.095 -36.125 1.00 1.00 C ATOM 1511 SD MET A 102 4.435 -52.668 -37.846 1.00 1.00 S ATOM 1512 CE MET A 102 3.424 -54.164 -37.667 1.00 1.00 C ATOM 0 H MET A 102 3.375 -52.347 -32.685 1.00 1.00 H new ATOM 0 HA MET A 102 3.931 -50.022 -34.382 1.00 1.00 H new ATOM 0 HB2 MET A 102 2.620 -52.642 -35.274 1.00 1.00 H new ATOM 0 HB3 MET A 102 2.582 -51.163 -36.213 1.00 1.00 H new ATOM 0 HG2 MET A 102 5.175 -51.224 -36.081 1.00 1.00 H new ATOM 0 HG3 MET A 102 4.989 -52.874 -35.522 1.00 1.00 H new ATOM 0 HE1 MET A 102 3.638 -54.848 -38.488 1.00 1.00 H new ATOM 0 HE2 MET A 102 3.658 -54.650 -36.720 1.00 1.00 H new ATOM 0 HE3 MET A 102 2.368 -53.894 -37.685 1.00 1.00 H new ATOM 1522 N THR A 103 1.319 -49.520 -34.539 1.00 1.00 N ATOM 1523 CA THR A 103 -0.014 -48.919 -34.318 1.00 1.00 C ATOM 1524 C THR A 103 -0.896 -48.990 -35.571 1.00 1.00 C ATOM 1525 O THR A 103 -0.404 -49.237 -36.677 1.00 1.00 O ATOM 1526 CB THR A 103 0.090 -47.464 -33.824 1.00 1.00 C ATOM 1527 OG1 THR A 103 0.867 -46.688 -34.715 1.00 1.00 O ATOM 1528 CG2 THR A 103 0.726 -47.369 -32.436 1.00 1.00 C ATOM 0 H THR A 103 1.753 -49.189 -35.401 1.00 1.00 H new ATOM 0 HA THR A 103 -0.490 -49.513 -33.538 1.00 1.00 H new ATOM 0 HB THR A 103 -0.931 -47.084 -33.775 1.00 1.00 H new ATOM 0 HG1 THR A 103 0.920 -45.767 -34.385 1.00 1.00 H new ATOM 0 HG21 THR A 103 0.778 -46.324 -32.130 1.00 1.00 H new ATOM 0 HG22 THR A 103 0.122 -47.927 -31.720 1.00 1.00 H new ATOM 0 HG23 THR A 103 1.732 -47.788 -32.467 1.00 1.00 H new ATOM 1536 N PHE A 104 -2.211 -48.787 -35.402 1.00 1.00 N ATOM 1537 CA PHE A 104 -3.218 -48.877 -36.472 1.00 1.00 C ATOM 1538 C PHE A 104 -4.168 -47.670 -36.511 1.00 1.00 C ATOM 1539 O PHE A 104 -4.514 -47.095 -35.476 1.00 1.00 O ATOM 1540 CB PHE A 104 -4.031 -50.173 -36.304 1.00 1.00 C ATOM 1541 CG PHE A 104 -3.210 -51.410 -35.996 1.00 1.00 C ATOM 1542 CD1 PHE A 104 -2.381 -51.977 -36.981 1.00 1.00 C ATOM 1543 CD2 PHE A 104 -3.255 -51.979 -34.709 1.00 1.00 C ATOM 1544 CE1 PHE A 104 -1.609 -53.113 -36.684 1.00 1.00 C ATOM 1545 CE2 PHE A 104 -2.498 -53.125 -34.418 1.00 1.00 C ATOM 1546 CZ PHE A 104 -1.672 -53.690 -35.405 1.00 1.00 C ATOM 0 H PHE A 104 -2.614 -48.550 -34.496 1.00 1.00 H new ATOM 0 HA PHE A 104 -2.678 -48.882 -37.419 1.00 1.00 H new ATOM 0 HB2 PHE A 104 -4.756 -50.028 -35.503 1.00 1.00 H new ATOM 0 HB3 PHE A 104 -4.597 -50.350 -37.218 1.00 1.00 H new ATOM 0 HD1 PHE A 104 -2.338 -51.539 -37.967 1.00 1.00 H new ATOM 0 HD2 PHE A 104 -3.873 -51.533 -33.944 1.00 1.00 H new ATOM 0 HE1 PHE A 104 -0.967 -53.542 -37.439 1.00 1.00 H new ATOM 0 HE2 PHE A 104 -2.550 -53.572 -33.436 1.00 1.00 H new ATOM 0 HZ PHE A 104 -1.085 -54.568 -35.180 1.00 1.00 H new ATOM 1556 N SER A 105 -4.614 -47.303 -37.716 1.00 1.00 N ATOM 1557 CA SER A 105 -5.548 -46.191 -37.972 1.00 1.00 C ATOM 1558 C SER A 105 -7.026 -46.523 -37.694 1.00 1.00 C ATOM 1559 O SER A 105 -7.846 -45.609 -37.574 1.00 1.00 O ATOM 1560 CB SER A 105 -5.404 -45.747 -39.433 1.00 1.00 C ATOM 1561 OG SER A 105 -5.611 -46.847 -40.310 1.00 1.00 O ATOM 0 H SER A 105 -4.329 -47.783 -38.570 1.00 1.00 H new ATOM 0 HA SER A 105 -5.277 -45.398 -37.275 1.00 1.00 H new ATOM 0 HB2 SER A 105 -6.124 -44.959 -39.652 1.00 1.00 H new ATOM 0 HB3 SER A 105 -4.412 -45.326 -39.595 1.00 1.00 H new ATOM 0 HG SER A 105 -5.518 -46.547 -41.238 1.00 1.00 H new ATOM 1567 N SER A 106 -7.381 -47.809 -37.591 1.00 1.00 N ATOM 1568 CA SER A 106 -8.748 -48.295 -37.348 1.00 1.00 C ATOM 1569 C SER A 106 -8.744 -49.693 -36.704 1.00 1.00 C ATOM 1570 O SER A 106 -7.880 -50.506 -37.056 1.00 1.00 O ATOM 1571 CB SER A 106 -9.486 -48.362 -38.696 1.00 1.00 C ATOM 1572 OG SER A 106 -10.729 -49.038 -38.589 1.00 1.00 O ATOM 0 H SER A 106 -6.704 -48.567 -37.677 1.00 1.00 H new ATOM 0 HA SER A 106 -9.246 -47.610 -36.662 1.00 1.00 H new ATOM 0 HB2 SER A 106 -9.654 -47.351 -39.068 1.00 1.00 H new ATOM 0 HB3 SER A 106 -8.859 -48.871 -39.428 1.00 1.00 H new ATOM 0 HG SER A 106 -11.167 -49.058 -39.465 1.00 1.00 H new ATOM 1578 N PRO A 107 -9.697 -50.021 -35.801 1.00 1.00 N ATOM 1579 CA PRO A 107 -9.813 -51.347 -35.187 1.00 1.00 C ATOM 1580 C PRO A 107 -9.829 -52.510 -36.189 1.00 1.00 C ATOM 1581 O PRO A 107 -9.283 -53.575 -35.903 1.00 1.00 O ATOM 1582 CB PRO A 107 -11.120 -51.321 -34.385 1.00 1.00 C ATOM 1583 CG PRO A 107 -11.310 -49.845 -34.060 1.00 1.00 C ATOM 1584 CD PRO A 107 -10.752 -49.149 -35.298 1.00 1.00 C ATOM 0 HA PRO A 107 -8.933 -51.531 -34.571 1.00 1.00 H new ATOM 0 HB2 PRO A 107 -11.955 -51.715 -34.965 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -11.048 -51.925 -33.480 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -12.359 -49.599 -33.897 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -10.771 -49.557 -33.157 1.00 1.00 H new ATOM 0 HD2 PRO A 107 -11.529 -49.002 -36.048 1.00 1.00 H new ATOM 0 HD3 PRO A 107 -10.359 -48.163 -35.049 1.00 1.00 H new ATOM 1592 N VAL A 108 -10.422 -52.322 -37.375 1.00 1.00 N ATOM 1593 CA VAL A 108 -10.481 -53.368 -38.415 1.00 1.00 C ATOM 1594 C VAL A 108 -9.078 -53.732 -38.919 1.00 1.00 C ATOM 1595 O VAL A 108 -8.778 -54.909 -39.122 1.00 1.00 O ATOM 1596 CB VAL A 108 -11.392 -52.956 -39.589 1.00 1.00 C ATOM 1597 CG1 VAL A 108 -11.627 -54.144 -40.532 1.00 1.00 C ATOM 1598 CG2 VAL A 108 -12.770 -52.476 -39.109 1.00 1.00 C ATOM 0 H VAL A 108 -10.873 -51.448 -37.644 1.00 1.00 H new ATOM 0 HA VAL A 108 -10.917 -54.254 -37.953 1.00 1.00 H new ATOM 0 HB VAL A 108 -10.879 -52.142 -40.102 1.00 1.00 H new ATOM 0 HG11 VAL A 108 -12.272 -53.834 -41.354 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -10.672 -54.487 -40.930 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -12.104 -54.956 -39.983 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -13.378 -52.196 -39.969 1.00 1.00 H new ATOM 0 HG22 VAL A 108 -13.264 -53.278 -38.561 1.00 1.00 H new ATOM 0 HG23 VAL A 108 -12.647 -51.612 -38.455 1.00 1.00 H new ATOM 1608 N VAL A 109 -8.185 -52.744 -39.055 1.00 1.00 N ATOM 1609 CA VAL A 109 -6.780 -52.961 -39.452 1.00 1.00 C ATOM 1610 C VAL A 109 -6.054 -53.775 -38.375 1.00 1.00 C ATOM 1611 O VAL A 109 -5.301 -54.692 -38.705 1.00 1.00 O ATOM 1612 CB VAL A 109 -6.055 -51.626 -39.721 1.00 1.00 C ATOM 1613 CG1 VAL A 109 -4.612 -51.840 -40.196 1.00 1.00 C ATOM 1614 CG2 VAL A 109 -6.769 -50.807 -40.805 1.00 1.00 C ATOM 0 H VAL A 109 -8.414 -51.763 -38.893 1.00 1.00 H new ATOM 0 HA VAL A 109 -6.770 -53.524 -40.385 1.00 1.00 H new ATOM 0 HB VAL A 109 -6.061 -51.093 -38.770 1.00 1.00 H new ATOM 0 HG11 VAL A 109 -4.140 -50.874 -40.373 1.00 1.00 H new ATOM 0 HG12 VAL A 109 -4.054 -52.382 -39.432 1.00 1.00 H new ATOM 0 HG13 VAL A 109 -4.615 -52.417 -41.121 1.00 1.00 H new ATOM 0 HG21 VAL A 109 -6.231 -49.873 -40.969 1.00 1.00 H new ATOM 0 HG22 VAL A 109 -6.796 -51.378 -41.733 1.00 1.00 H new ATOM 0 HG23 VAL A 109 -7.787 -50.588 -40.484 1.00 1.00 H new ATOM 1624 N ALA A 110 -6.325 -53.497 -37.093 1.00 1.00 N ATOM 1625 CA ALA A 110 -5.774 -54.257 -35.973 1.00 1.00 C ATOM 1626 C ALA A 110 -6.223 -55.730 -36.028 1.00 1.00 C ATOM 1627 O ALA A 110 -5.387 -56.631 -35.968 1.00 1.00 O ATOM 1628 CB ALA A 110 -6.181 -53.583 -34.660 1.00 1.00 C ATOM 0 H ALA A 110 -6.937 -52.733 -36.806 1.00 1.00 H new ATOM 0 HA ALA A 110 -4.686 -54.262 -36.038 1.00 1.00 H new ATOM 0 HB1 ALA A 110 -5.773 -54.146 -33.820 1.00 1.00 H new ATOM 0 HB2 ALA A 110 -5.792 -52.565 -34.638 1.00 1.00 H new ATOM 0 HB3 ALA A 110 -7.268 -53.558 -34.586 1.00 1.00 H new ATOM 1634 N GLU A 111 -7.528 -55.985 -36.213 1.00 1.00 N ATOM 1635 CA GLU A 111 -8.070 -57.349 -36.332 1.00 1.00 C ATOM 1636 C GLU A 111 -7.437 -58.119 -37.502 1.00 1.00 C ATOM 1637 O GLU A 111 -7.059 -59.280 -37.332 1.00 1.00 O ATOM 1638 CB GLU A 111 -9.599 -57.330 -36.503 1.00 1.00 C ATOM 1639 CG GLU A 111 -10.342 -56.876 -35.241 1.00 1.00 C ATOM 1640 CD GLU A 111 -11.864 -57.046 -35.409 1.00 1.00 C ATOM 1641 OE1 GLU A 111 -12.528 -56.138 -35.966 1.00 1.00 O ATOM 1642 OE2 GLU A 111 -12.412 -58.091 -34.979 1.00 1.00 O ATOM 0 H GLU A 111 -8.236 -55.254 -36.284 1.00 1.00 H new ATOM 0 HA GLU A 111 -7.819 -57.862 -35.404 1.00 1.00 H new ATOM 0 HB2 GLU A 111 -9.858 -56.666 -37.328 1.00 1.00 H new ATOM 0 HB3 GLU A 111 -9.940 -58.328 -36.778 1.00 1.00 H new ATOM 0 HG2 GLU A 111 -10.000 -57.456 -34.384 1.00 1.00 H new ATOM 0 HG3 GLU A 111 -10.109 -55.832 -35.033 1.00 1.00 H new ATOM 1649 N SER A 112 -7.269 -57.479 -38.666 1.00 1.00 N ATOM 1650 CA SER A 112 -6.609 -58.085 -39.833 1.00 1.00 C ATOM 1651 C SER A 112 -5.127 -58.375 -39.565 1.00 1.00 C ATOM 1652 O SER A 112 -4.626 -59.427 -39.965 1.00 1.00 O ATOM 1653 CB SER A 112 -6.733 -57.179 -41.063 1.00 1.00 C ATOM 1654 OG SER A 112 -8.082 -57.123 -41.502 1.00 1.00 O ATOM 0 H SER A 112 -7.587 -56.523 -38.827 1.00 1.00 H new ATOM 0 HA SER A 112 -7.116 -59.030 -40.025 1.00 1.00 H new ATOM 0 HB2 SER A 112 -6.381 -56.176 -40.821 1.00 1.00 H new ATOM 0 HB3 SER A 112 -6.098 -57.555 -41.865 1.00 1.00 H new ATOM 0 HG SER A 112 -8.147 -56.540 -42.287 1.00 1.00 H new ATOM 1660 N HIS A 113 -4.416 -57.481 -38.867 1.00 1.00 N ATOM 1661 CA HIS A 113 -3.010 -57.684 -38.515 1.00 1.00 C ATOM 1662 C HIS A 113 -2.825 -58.892 -37.584 1.00 1.00 C ATOM 1663 O HIS A 113 -1.977 -59.741 -37.858 1.00 1.00 O ATOM 1664 CB HIS A 113 -2.431 -56.411 -37.882 1.00 1.00 C ATOM 1665 CG HIS A 113 -0.984 -56.577 -37.490 1.00 1.00 C ATOM 1666 ND1 HIS A 113 0.108 -56.441 -38.319 1.00 1.00 N ATOM 1667 CD2 HIS A 113 -0.513 -56.977 -36.268 1.00 1.00 C ATOM 1668 CE1 HIS A 113 1.208 -56.755 -37.614 1.00 1.00 C ATOM 1669 NE2 HIS A 113 0.880 -57.079 -36.352 1.00 1.00 N ATOM 0 H HIS A 113 -4.801 -56.598 -38.532 1.00 1.00 H new ATOM 0 HA HIS A 113 -2.463 -57.898 -39.433 1.00 1.00 H new ATOM 0 HB2 HIS A 113 -2.522 -55.584 -38.586 1.00 1.00 H new ATOM 0 HB3 HIS A 113 -3.016 -56.147 -37.001 1.00 1.00 H new ATOM 0 HD1 HIS A 113 0.085 -56.152 -39.297 1.00 1.00 H new ATOM 0 HD2 HIS A 113 -1.112 -57.179 -35.392 1.00 1.00 H new ATOM 0 HE1 HIS A 113 2.214 -56.748 -38.007 1.00 1.00 H new ATOM 1677 N TYR A 114 -3.626 -59.005 -36.515 1.00 1.00 N ATOM 1678 CA TYR A 114 -3.552 -60.098 -35.531 1.00 1.00 C ATOM 1679 C TYR A 114 -3.705 -61.524 -36.112 1.00 1.00 C ATOM 1680 O TYR A 114 -3.359 -62.492 -35.430 1.00 1.00 O ATOM 1681 CB TYR A 114 -4.568 -59.868 -34.399 1.00 1.00 C ATOM 1682 CG TYR A 114 -4.481 -58.552 -33.631 1.00 1.00 C ATOM 1683 CD1 TYR A 114 -3.240 -57.942 -33.346 1.00 1.00 C ATOM 1684 CD2 TYR A 114 -5.670 -57.950 -33.168 1.00 1.00 C ATOM 1685 CE1 TYR A 114 -3.190 -56.721 -32.641 1.00 1.00 C ATOM 1686 CE2 TYR A 114 -5.625 -56.729 -32.469 1.00 1.00 C ATOM 1687 CZ TYR A 114 -4.386 -56.105 -32.209 1.00 1.00 C ATOM 1688 OH TYR A 114 -4.366 -54.920 -31.540 1.00 1.00 O ATOM 0 H TYR A 114 -4.358 -58.327 -36.305 1.00 1.00 H new ATOM 0 HA TYR A 114 -2.534 -60.061 -35.144 1.00 1.00 H new ATOM 0 HB2 TYR A 114 -5.569 -59.944 -34.825 1.00 1.00 H new ATOM 0 HB3 TYR A 114 -4.464 -60.683 -33.683 1.00 1.00 H new ATOM 0 HD1 TYR A 114 -2.324 -58.413 -33.670 1.00 1.00 H new ATOM 0 HD2 TYR A 114 -6.621 -58.429 -33.351 1.00 1.00 H new ATOM 0 HE1 TYR A 114 -2.237 -56.257 -32.431 1.00 1.00 H new ATOM 0 HE2 TYR A 114 -6.541 -56.268 -32.131 1.00 1.00 H new ATOM 0 HH TYR A 114 -3.441 -54.609 -31.452 1.00 1.00 H new ATOM 1698 N ILE A 115 -4.186 -61.672 -37.355 1.00 1.00 N ATOM 1699 CA ILE A 115 -4.348 -62.963 -38.055 1.00 1.00 C ATOM 1700 C ILE A 115 -3.453 -63.100 -39.302 1.00 1.00 C ATOM 1701 O ILE A 115 -3.498 -64.128 -39.983 1.00 1.00 O ATOM 1702 CB ILE A 115 -5.843 -63.274 -38.336 1.00 1.00 C ATOM 1703 CG1 ILE A 115 -6.592 -62.266 -39.239 1.00 1.00 C ATOM 1704 CG2 ILE A 115 -6.601 -63.386 -37.000 1.00 1.00 C ATOM 1705 CD1 ILE A 115 -6.229 -62.321 -40.729 1.00 1.00 C ATOM 0 H ILE A 115 -4.483 -60.877 -37.921 1.00 1.00 H new ATOM 0 HA ILE A 115 -3.989 -63.734 -37.374 1.00 1.00 H new ATOM 0 HB ILE A 115 -5.827 -64.210 -38.894 1.00 1.00 H new ATOM 0 HG12 ILE A 115 -7.663 -62.439 -39.137 1.00 1.00 H new ATOM 0 HG13 ILE A 115 -6.395 -61.259 -38.871 1.00 1.00 H new ATOM 0 HG21 ILE A 115 -7.651 -63.604 -37.195 1.00 1.00 H new ATOM 0 HG22 ILE A 115 -6.168 -64.188 -36.402 1.00 1.00 H new ATOM 0 HG23 ILE A 115 -6.521 -62.445 -36.456 1.00 1.00 H new ATOM 0 HD11 ILE A 115 -6.809 -61.575 -41.273 1.00 1.00 H new ATOM 0 HD12 ILE A 115 -5.166 -62.114 -40.852 1.00 1.00 H new ATOM 0 HD13 ILE A 115 -6.454 -63.313 -41.122 1.00 1.00 H new ATOM 1717 N GLY A 116 -2.618 -62.096 -39.599 1.00 1.00 N ATOM 1718 CA GLY A 116 -1.688 -62.096 -40.734 1.00 1.00 C ATOM 1719 C GLY A 116 -0.330 -62.713 -40.380 1.00 1.00 C ATOM 1720 O GLY A 116 0.096 -62.694 -39.221 1.00 1.00 O ATOM 0 H GLY A 116 -2.570 -61.242 -39.044 1.00 1.00 H new ATOM 0 HA2 GLY A 116 -2.130 -62.650 -41.562 1.00 1.00 H new ATOM 0 HA3 GLY A 116 -1.540 -61.072 -41.078 1.00 1.00 H new ATOM 1724 N LYS A 117 0.377 -63.259 -41.378 1.00 1.00 N ATOM 1725 CA LYS A 117 1.680 -63.927 -41.172 1.00 1.00 C ATOM 1726 C LYS A 117 2.756 -63.044 -40.530 1.00 1.00 C ATOM 1727 O LYS A 117 3.589 -63.560 -39.789 1.00 1.00 O ATOM 1728 CB LYS A 117 2.182 -64.595 -42.462 1.00 1.00 C ATOM 1729 CG LYS A 117 1.270 -65.767 -42.869 1.00 1.00 C ATOM 1730 CD LYS A 117 1.927 -66.718 -43.880 1.00 1.00 C ATOM 1731 CE LYS A 117 2.255 -66.023 -45.209 1.00 1.00 C ATOM 1732 NZ LYS A 117 2.846 -66.972 -46.189 1.00 1.00 N ATOM 0 H LYS A 117 0.068 -63.253 -42.350 1.00 1.00 H new ATOM 0 HA LYS A 117 1.486 -64.707 -40.436 1.00 1.00 H new ATOM 0 HB2 LYS A 117 2.216 -63.860 -43.266 1.00 1.00 H new ATOM 0 HB3 LYS A 117 3.200 -64.956 -42.316 1.00 1.00 H new ATOM 0 HG2 LYS A 117 0.992 -66.330 -41.978 1.00 1.00 H new ATOM 0 HG3 LYS A 117 0.349 -65.371 -43.297 1.00 1.00 H new ATOM 0 HD2 LYS A 117 2.842 -67.125 -43.450 1.00 1.00 H new ATOM 0 HD3 LYS A 117 1.261 -67.560 -44.068 1.00 1.00 H new ATOM 0 HE2 LYS A 117 1.348 -65.586 -45.626 1.00 1.00 H new ATOM 0 HE3 LYS A 117 2.951 -65.203 -45.030 1.00 1.00 H new ATOM 0 HZ1 LYS A 117 3.056 -66.470 -47.075 1.00 1.00 H new ATOM 0 HZ2 LYS A 117 3.725 -67.370 -45.800 1.00 1.00 H new ATOM 0 HZ3 LYS A 117 2.172 -67.741 -46.378 1.00 1.00 H new ATOM 1746 N THR A 118 2.720 -61.727 -40.747 1.00 1.00 N ATOM 1747 CA THR A 118 3.649 -60.764 -40.119 1.00 1.00 C ATOM 1748 C THR A 118 3.555 -60.833 -38.589 1.00 1.00 C ATOM 1749 O THR A 118 4.574 -60.895 -37.901 1.00 1.00 O ATOM 1750 CB THR A 118 3.351 -59.330 -40.593 1.00 1.00 C ATOM 1751 OG1 THR A 118 3.303 -59.298 -42.005 1.00 1.00 O ATOM 1752 CG2 THR A 118 4.412 -58.324 -40.147 1.00 1.00 C ATOM 0 H THR A 118 2.041 -61.288 -41.369 1.00 1.00 H new ATOM 0 HA THR A 118 4.661 -61.033 -40.422 1.00 1.00 H new ATOM 0 HB THR A 118 2.397 -59.050 -40.147 1.00 1.00 H new ATOM 0 HG1 THR A 118 3.112 -58.385 -42.305 1.00 1.00 H new ATOM 0 HG21 THR A 118 4.148 -57.331 -40.511 1.00 1.00 H new ATOM 0 HG22 THR A 118 4.465 -58.309 -39.058 1.00 1.00 H new ATOM 0 HG23 THR A 118 5.381 -58.613 -40.553 1.00 1.00 H new ATOM 1760 N HIS A 119 2.331 -60.892 -38.051 1.00 1.00 N ATOM 1761 CA HIS A 119 2.078 -61.050 -36.615 1.00 1.00 C ATOM 1762 C HIS A 119 2.450 -62.455 -36.130 1.00 1.00 C ATOM 1763 O HIS A 119 3.096 -62.601 -35.096 1.00 1.00 O ATOM 1764 CB HIS A 119 0.605 -60.741 -36.335 1.00 1.00 C ATOM 1765 CG HIS A 119 0.290 -60.607 -34.868 1.00 1.00 C ATOM 1766 ND1 HIS A 119 0.618 -59.506 -34.077 1.00 1.00 N ATOM 1767 CD2 HIS A 119 -0.395 -61.511 -34.111 1.00 1.00 C ATOM 1768 CE1 HIS A 119 0.117 -59.769 -32.859 1.00 1.00 C ATOM 1769 NE2 HIS A 119 -0.497 -60.964 -32.850 1.00 1.00 N ATOM 0 H HIS A 119 1.479 -60.831 -38.608 1.00 1.00 H new ATOM 0 HA HIS A 119 2.707 -60.351 -36.063 1.00 1.00 H new ATOM 0 HB2 HIS A 119 0.332 -59.816 -36.843 1.00 1.00 H new ATOM 0 HB3 HIS A 119 -0.012 -61.532 -36.761 1.00 1.00 H new ATOM 0 HD2 HIS A 119 -0.781 -62.466 -34.435 1.00 1.00 H new ATOM 0 HE1 HIS A 119 0.197 -59.112 -32.006 1.00 1.00 H new ATOM 0 HE2 HIS A 119 -0.959 -61.393 -32.048 1.00 1.00 H new ATOM 1777 N ILE A 120 2.083 -63.493 -36.893 1.00 1.00 N ATOM 1778 CA ILE A 120 2.364 -64.908 -36.578 1.00 1.00 C ATOM 1779 C ILE A 120 3.873 -65.179 -36.463 1.00 1.00 C ATOM 1780 O ILE A 120 4.294 -65.904 -35.558 1.00 1.00 O ATOM 1781 CB ILE A 120 1.642 -65.835 -37.582 1.00 1.00 C ATOM 1782 CG1 ILE A 120 0.112 -65.664 -37.398 1.00 1.00 C ATOM 1783 CG2 ILE A 120 2.048 -67.312 -37.432 1.00 1.00 C ATOM 1784 CD1 ILE A 120 -0.745 -66.395 -38.439 1.00 1.00 C ATOM 0 H ILE A 120 1.571 -63.374 -37.767 1.00 1.00 H new ATOM 0 HA ILE A 120 1.959 -65.136 -35.592 1.00 1.00 H new ATOM 0 HB ILE A 120 1.940 -65.545 -38.590 1.00 1.00 H new ATOM 0 HG12 ILE A 120 -0.163 -66.021 -36.406 1.00 1.00 H new ATOM 0 HG13 ILE A 120 -0.128 -64.601 -37.432 1.00 1.00 H new ATOM 0 HG21 ILE A 120 1.508 -67.914 -38.163 1.00 1.00 H new ATOM 0 HG22 ILE A 120 3.120 -67.413 -37.599 1.00 1.00 H new ATOM 0 HG23 ILE A 120 1.803 -67.656 -36.427 1.00 1.00 H new ATOM 0 HD11 ILE A 120 -1.800 -66.218 -38.231 1.00 1.00 H new ATOM 0 HD12 ILE A 120 -0.504 -66.023 -39.435 1.00 1.00 H new ATOM 0 HD13 ILE A 120 -0.540 -67.465 -38.393 1.00 1.00 H new ATOM 1796 N LYS A 121 4.706 -64.550 -37.303 1.00 1.00 N ATOM 1797 CA LYS A 121 6.174 -64.629 -37.195 1.00 1.00 C ATOM 1798 C LYS A 121 6.629 -64.138 -35.815 1.00 1.00 C ATOM 1799 O LYS A 121 7.446 -64.786 -35.161 1.00 1.00 O ATOM 1800 CB LYS A 121 6.811 -63.816 -38.338 1.00 1.00 C ATOM 1801 CG LYS A 121 8.344 -63.945 -38.367 1.00 1.00 C ATOM 1802 CD LYS A 121 9.001 -63.085 -39.458 1.00 1.00 C ATOM 1803 CE LYS A 121 8.607 -63.526 -40.875 1.00 1.00 C ATOM 1804 NZ LYS A 121 9.319 -62.731 -41.911 1.00 1.00 N ATOM 0 H LYS A 121 4.383 -63.971 -38.078 1.00 1.00 H new ATOM 0 HA LYS A 121 6.502 -65.664 -37.292 1.00 1.00 H new ATOM 0 HB2 LYS A 121 6.403 -64.153 -39.291 1.00 1.00 H new ATOM 0 HB3 LYS A 121 6.540 -62.766 -38.228 1.00 1.00 H new ATOM 0 HG2 LYS A 121 8.745 -63.657 -37.395 1.00 1.00 H new ATOM 0 HG3 LYS A 121 8.612 -64.990 -38.526 1.00 1.00 H new ATOM 0 HD2 LYS A 121 8.717 -62.043 -39.314 1.00 1.00 H new ATOM 0 HD3 LYS A 121 10.085 -63.138 -39.353 1.00 1.00 H new ATOM 0 HE2 LYS A 121 8.836 -64.584 -41.005 1.00 1.00 H new ATOM 0 HE3 LYS A 121 7.531 -63.415 -41.006 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 9.030 -63.054 -42.856 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 9.080 -61.725 -41.801 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 10.345 -62.857 -41.801 1.00 1.00 H new ATOM 1818 N ASN A 122 6.057 -63.033 -35.336 1.00 1.00 N ATOM 1819 CA ASN A 122 6.347 -62.495 -34.010 1.00 1.00 C ATOM 1820 C ASN A 122 5.767 -63.359 -32.874 1.00 1.00 C ATOM 1821 O ASN A 122 6.418 -63.449 -31.837 1.00 1.00 O ATOM 1822 CB ASN A 122 5.930 -61.020 -33.928 1.00 1.00 C ATOM 1823 CG ASN A 122 6.950 -60.106 -34.596 1.00 1.00 C ATOM 1824 OD1 ASN A 122 7.433 -60.343 -35.694 1.00 1.00 O ATOM 1825 ND2 ASN A 122 7.341 -59.042 -33.938 1.00 1.00 N ATOM 0 H ASN A 122 5.376 -62.484 -35.861 1.00 1.00 H new ATOM 0 HA ASN A 122 7.426 -62.535 -33.860 1.00 1.00 H new ATOM 0 HB2 ASN A 122 4.958 -60.890 -34.404 1.00 1.00 H new ATOM 0 HB3 ASN A 122 5.814 -60.733 -32.883 1.00 1.00 H new ATOM 0 HD21 ASN A 122 8.042 -58.421 -34.343 1.00 1.00 H new ATOM 0 HD22 ASN A 122 6.945 -58.835 -33.021 1.00 1.00 H new