USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 550 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 78 GLN : amide:sc= 0.672 K(o=1.4,f=-0.18) USER MOD Set 1.2: A 82 ASN : amide:sc= 0.752 K(o=1.4,f=-0.53) USER MOD Set 2.1: A 56 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 76 LYS NZ :NH3+ -154:sc= 0.294 (180deg=0.073) USER MOD Set 3.1: A 53 CYS SG : rot 129:sc= 1.08 USER MOD Set 3.2: A 61 CYS SG : rot 79:sc= 0.903 USER MOD Set 3.3: A 66 CYS SG : rot 154:sc= 1.01 USER MOD Set 3.4: A 70 HIS : no HD1:sc= 0.00195 X(o=3,f=2.7) USER MOD Set 4.1: A 40 SER OG : rot -59:sc= 0.991 USER MOD Set 4.2: A 43 CYS SG : rot -170:sc= 1.49 USER MOD Set 5.1: A 19 CYS SG : rot 135:sc= 0.917 USER MOD Set 5.2: A 27 CYS SG : rot 140:sc= 0.826 USER MOD Set 5.3: A 34 CYS SG : rot 129:sc= 2.1 USER MOD Set 5.4: A 38 HIS : no HD1:sc= -0.0705 K(o=3.8,f=2.1) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00541 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0316 USER MOD Single : A 23 GLN : amide:sc= 0.802 K(o=0.8,f=-5.1!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0391 USER MOD Single : A 35 LYS NZ :NH3+ 172:sc= 0.197 (180deg=0.172) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.17) USER MOD Single : A 47 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.55) USER MOD Single : A 58 LYS NZ :NH3+ 178:sc= 0.194 (180deg=0.187) USER MOD Single : A 62 SER OG : rot -47:sc= 0.191 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.224 X(o=-0.22,f=-0.28) USER MOD Single : A 77 THR OG1 : rot 77:sc= 0.881 USER MOD ----------------------------------------------------------------- ATOM 142 N ASP A 10 25.861 8.090 12.326 1.00 0.00 N ATOM 143 CA ASP A 10 24.621 8.872 12.361 1.00 0.00 C ATOM 144 C ASP A 10 23.389 8.082 12.849 1.00 0.00 C ATOM 145 O ASP A 10 22.722 7.393 12.088 1.00 0.00 O ATOM 146 CB ASP A 10 24.407 9.447 10.947 1.00 0.00 C ATOM 147 CG ASP A 10 23.118 10.262 10.827 1.00 0.00 C ATOM 148 OD1 ASP A 10 23.086 11.383 11.382 1.00 0.00 O ATOM 149 OD2 ASP A 10 22.161 9.758 10.193 1.00 0.00 O ATOM 0 HA ASP A 10 24.729 9.666 13.099 1.00 0.00 H new ATOM 0 HB2 ASP A 10 25.256 10.078 10.684 1.00 0.00 H new ATOM 0 HB3 ASP A 10 24.383 8.629 10.227 1.00 0.00 H new ATOM 154 N THR A 11 23.002 8.236 14.110 1.00 0.00 N ATOM 155 CA THR A 11 21.797 7.604 14.682 1.00 0.00 C ATOM 156 C THR A 11 20.489 8.143 14.084 1.00 0.00 C ATOM 157 O THR A 11 19.451 7.484 14.184 1.00 0.00 O ATOM 158 CB THR A 11 21.773 7.758 16.210 1.00 0.00 C ATOM 159 OG1 THR A 11 22.019 9.100 16.575 1.00 0.00 O ATOM 160 CG2 THR A 11 22.860 6.898 16.854 1.00 0.00 C ATOM 0 H THR A 11 23.516 8.808 14.780 1.00 0.00 H new ATOM 0 HA THR A 11 21.858 6.548 14.420 1.00 0.00 H new ATOM 0 HB THR A 11 20.788 7.444 16.554 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.999 9.182 17.551 1.00 0.00 H new ATOM 0 HG21 THR A 11 22.827 7.021 17.937 1.00 0.00 H new ATOM 0 HG22 THR A 11 22.692 5.851 16.602 1.00 0.00 H new ATOM 0 HG23 THR A 11 23.837 7.208 16.483 1.00 0.00 H new ATOM 168 N LYS A 12 20.525 9.308 13.414 1.00 0.00 N ATOM 169 CA LYS A 12 19.363 9.944 12.766 1.00 0.00 C ATOM 170 C LYS A 12 18.703 9.064 11.690 1.00 0.00 C ATOM 171 O LYS A 12 17.499 9.190 11.464 1.00 0.00 O ATOM 172 CB LYS A 12 19.765 11.336 12.240 1.00 0.00 C ATOM 173 CG LYS A 12 18.603 12.255 11.827 1.00 0.00 C ATOM 174 CD LYS A 12 17.628 12.571 12.970 1.00 0.00 C ATOM 175 CE LYS A 12 16.606 13.612 12.506 1.00 0.00 C ATOM 176 NZ LYS A 12 15.641 13.927 13.581 1.00 0.00 N ATOM 0 H LYS A 12 21.384 9.847 13.305 1.00 0.00 H new ATOM 0 HA LYS A 12 18.586 10.070 13.520 1.00 0.00 H new ATOM 0 HB2 LYS A 12 20.347 11.841 13.011 1.00 0.00 H new ATOM 0 HB3 LYS A 12 20.422 11.203 11.380 1.00 0.00 H new ATOM 0 HG2 LYS A 12 19.010 13.189 11.440 1.00 0.00 H new ATOM 0 HG3 LYS A 12 18.053 11.786 11.012 1.00 0.00 H new ATOM 0 HD2 LYS A 12 17.117 11.662 13.286 1.00 0.00 H new ATOM 0 HD3 LYS A 12 18.176 12.946 13.835 1.00 0.00 H new ATOM 0 HE2 LYS A 12 17.123 14.521 12.199 1.00 0.00 H new ATOM 0 HE3 LYS A 12 16.072 13.238 11.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.960 14.635 13.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.133 13.062 13.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.150 14.306 14.405 1.00 0.00 H new ATOM 190 N TRP A 13 19.445 8.142 11.059 1.00 0.00 N ATOM 191 CA TRP A 13 18.865 7.178 10.107 1.00 0.00 C ATOM 192 C TRP A 13 18.343 5.908 10.809 1.00 0.00 C ATOM 193 O TRP A 13 17.469 5.241 10.264 1.00 0.00 O ATOM 194 CB TRP A 13 19.838 6.854 8.963 1.00 0.00 C ATOM 195 CG TRP A 13 20.895 5.825 9.225 1.00 0.00 C ATOM 196 CD1 TRP A 13 22.166 6.083 9.604 1.00 0.00 C ATOM 197 CD2 TRP A 13 20.808 4.367 9.112 1.00 0.00 C ATOM 198 NE1 TRP A 13 22.859 4.899 9.763 1.00 0.00 N ATOM 199 CE2 TRP A 13 22.072 3.810 9.472 1.00 0.00 C ATOM 200 CE3 TRP A 13 19.793 3.455 8.744 1.00 0.00 C ATOM 201 CZ2 TRP A 13 22.319 2.431 9.473 1.00 0.00 C ATOM 202 CZ3 TRP A 13 20.029 2.067 8.734 1.00 0.00 C ATOM 203 CH2 TRP A 13 21.287 1.557 9.103 1.00 0.00 C ATOM 0 H TRP A 13 20.452 8.042 11.190 1.00 0.00 H new ATOM 0 HA TRP A 13 17.996 7.658 9.657 1.00 0.00 H new ATOM 0 HB2 TRP A 13 19.251 6.523 8.106 1.00 0.00 H new ATOM 0 HB3 TRP A 13 20.334 7.780 8.671 1.00 0.00 H new ATOM 0 HD1 TRP A 13 22.579 7.069 9.760 1.00 0.00 H new ATOM 0 HE1 TRP A 13 23.833 4.840 10.059 1.00 0.00 H new ATOM 0 HE3 TRP A 13 18.819 3.829 8.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 23.289 2.047 9.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 19.240 1.390 8.441 1.00 0.00 H new ATOM 0 HH2 TRP A 13 21.458 0.491 9.101 1.00 0.00 H new ATOM 214 N LEU A 14 18.821 5.605 12.027 1.00 0.00 N ATOM 215 CA LEU A 14 18.373 4.483 12.868 1.00 0.00 C ATOM 216 C LEU A 14 17.166 4.842 13.758 1.00 0.00 C ATOM 217 O LEU A 14 16.541 3.940 14.316 1.00 0.00 O ATOM 218 CB LEU A 14 19.518 4.003 13.785 1.00 0.00 C ATOM 219 CG LEU A 14 20.644 3.192 13.123 1.00 0.00 C ATOM 220 CD1 LEU A 14 21.676 2.856 14.199 1.00 0.00 C ATOM 221 CD2 LEU A 14 20.162 1.861 12.545 1.00 0.00 C ATOM 0 H LEU A 14 19.557 6.155 12.469 1.00 0.00 H new ATOM 0 HA LEU A 14 18.070 3.696 12.178 1.00 0.00 H new ATOM 0 HB2 LEU A 14 19.963 4.878 14.259 1.00 0.00 H new ATOM 0 HB3 LEU A 14 19.085 3.396 14.580 1.00 0.00 H new ATOM 0 HG LEU A 14 21.044 3.797 12.310 1.00 0.00 H new ATOM 0 HD11 LEU A 14 22.488 2.279 13.757 1.00 0.00 H new ATOM 0 HD12 LEU A 14 22.074 3.778 14.622 1.00 0.00 H new ATOM 0 HD13 LEU A 14 21.203 2.270 14.987 1.00 0.00 H new ATOM 0 HD21 LEU A 14 21.003 1.335 12.092 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.739 1.250 13.342 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.400 2.048 11.788 1.00 0.00 H new ATOM 233 N THR A 15 16.833 6.122 13.944 1.00 0.00 N ATOM 234 CA THR A 15 15.728 6.533 14.833 1.00 0.00 C ATOM 235 C THR A 15 14.327 6.397 14.211 1.00 0.00 C ATOM 236 O THR A 15 14.122 6.668 13.026 1.00 0.00 O ATOM 237 CB THR A 15 15.874 8.004 15.271 1.00 0.00 C ATOM 238 OG1 THR A 15 16.443 8.826 14.278 1.00 0.00 O ATOM 239 CG2 THR A 15 16.732 8.138 16.525 1.00 0.00 C ATOM 0 H THR A 15 17.312 6.900 13.491 1.00 0.00 H new ATOM 0 HA THR A 15 15.807 5.847 15.676 1.00 0.00 H new ATOM 0 HB THR A 15 14.854 8.335 15.466 1.00 0.00 H new ATOM 0 HG1 THR A 15 16.509 9.745 14.612 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.811 9.189 16.801 1.00 0.00 H new ATOM 0 HG22 THR A 15 16.272 7.582 17.342 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.727 7.739 16.329 1.00 0.00 H new ATOM 247 N LEU A 16 13.341 6.029 15.045 1.00 0.00 N ATOM 248 CA LEU A 16 11.907 5.906 14.720 1.00 0.00 C ATOM 249 C LEU A 16 11.057 6.656 15.759 1.00 0.00 C ATOM 250 O LEU A 16 11.310 6.562 16.957 1.00 0.00 O ATOM 251 CB LEU A 16 11.492 4.421 14.644 1.00 0.00 C ATOM 252 CG LEU A 16 11.940 3.696 13.362 1.00 0.00 C ATOM 253 CD1 LEU A 16 11.584 2.211 13.436 1.00 0.00 C ATOM 254 CD2 LEU A 16 11.261 4.258 12.106 1.00 0.00 C ATOM 0 H LEU A 16 13.532 5.796 16.019 1.00 0.00 H new ATOM 0 HA LEU A 16 11.734 6.357 13.743 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.906 3.897 15.506 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.407 4.356 14.722 1.00 0.00 H new ATOM 0 HG LEU A 16 13.017 3.845 13.292 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.908 1.713 12.522 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.085 1.759 14.292 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.505 2.101 13.547 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.610 3.713 11.229 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.180 4.147 12.196 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.509 5.314 12.000 1.00 0.00 H new ATOM 266 N GLU A 17 10.070 7.424 15.293 1.00 0.00 N ATOM 267 CA GLU A 17 9.179 8.265 16.112 1.00 0.00 C ATOM 268 C GLU A 17 8.316 7.483 17.123 1.00 0.00 C ATOM 269 O GLU A 17 7.786 6.412 16.821 1.00 0.00 O ATOM 270 CB GLU A 17 8.327 9.121 15.158 1.00 0.00 C ATOM 271 CG GLU A 17 7.416 10.130 15.877 1.00 0.00 C ATOM 272 CD GLU A 17 6.684 11.100 14.929 1.00 0.00 C ATOM 273 OE1 GLU A 17 7.039 11.174 13.727 1.00 0.00 O ATOM 274 OE2 GLU A 17 5.773 11.807 15.422 1.00 0.00 O ATOM 0 H GLU A 17 9.857 7.483 14.297 1.00 0.00 H new ATOM 0 HA GLU A 17 9.798 8.900 16.745 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.988 9.661 14.481 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.712 8.462 14.545 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.677 9.583 16.463 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.015 10.708 16.580 1.00 0.00 H new ATOM 281 N VAL A 18 8.156 8.056 18.321 1.00 0.00 N ATOM 282 CA VAL A 18 7.350 7.538 19.440 1.00 0.00 C ATOM 283 C VAL A 18 5.911 8.070 19.355 1.00 0.00 C ATOM 284 O VAL A 18 5.692 9.239 19.024 1.00 0.00 O ATOM 285 CB VAL A 18 7.997 7.940 20.784 1.00 0.00 C ATOM 286 CG1 VAL A 18 7.165 7.520 22.000 1.00 0.00 C ATOM 287 CG2 VAL A 18 9.375 7.288 20.933 1.00 0.00 C ATOM 0 H VAL A 18 8.608 8.941 18.552 1.00 0.00 H new ATOM 0 HA VAL A 18 7.317 6.450 19.377 1.00 0.00 H new ATOM 0 HB VAL A 18 8.067 9.027 20.760 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.673 7.831 22.913 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.184 7.993 21.951 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.045 6.437 22.002 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.816 7.582 21.885 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.270 6.204 20.902 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.022 7.613 20.118 1.00 0.00 H new ATOM 297 N CYS A 19 4.928 7.216 19.656 1.00 0.00 N ATOM 298 CA CYS A 19 3.504 7.545 19.606 1.00 0.00 C ATOM 299 C CYS A 19 3.112 8.674 20.586 1.00 0.00 C ATOM 300 O CYS A 19 3.342 8.594 21.799 1.00 0.00 O ATOM 301 CB CYS A 19 2.720 6.246 19.844 1.00 0.00 C ATOM 302 SG CYS A 19 0.940 6.410 19.501 1.00 0.00 S ATOM 0 H CYS A 19 5.107 6.255 19.948 1.00 0.00 H new ATOM 0 HA CYS A 19 3.254 7.950 18.625 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.134 5.459 19.214 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.857 5.931 20.879 1.00 0.00 H new ATOM 0 HG CYS A 19 0.537 5.390 18.803 1.00 0.00 H new ATOM 307 N ARG A 20 2.502 9.741 20.051 1.00 0.00 N ATOM 308 CA ARG A 20 2.031 10.904 20.826 1.00 0.00 C ATOM 309 C ARG A 20 0.971 10.522 21.858 1.00 0.00 C ATOM 310 O ARG A 20 0.964 11.062 22.962 1.00 0.00 O ATOM 311 CB ARG A 20 1.476 11.975 19.867 1.00 0.00 C ATOM 312 CG ARG A 20 2.563 12.724 19.070 1.00 0.00 C ATOM 313 CD ARG A 20 3.022 14.027 19.745 1.00 0.00 C ATOM 314 NE ARG A 20 3.707 13.797 21.029 1.00 0.00 N ATOM 315 CZ ARG A 20 3.780 14.636 22.050 1.00 0.00 C ATOM 316 NH1 ARG A 20 4.449 14.292 23.112 1.00 0.00 N ATOM 317 NH2 ARG A 20 3.218 15.817 22.050 1.00 0.00 N ATOM 0 H ARG A 20 2.318 9.824 19.051 1.00 0.00 H new ATOM 0 HA ARG A 20 2.884 11.303 21.375 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.788 11.500 19.167 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.897 12.698 20.442 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.424 12.068 18.938 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.181 12.953 18.075 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.692 14.562 19.072 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.157 14.669 19.910 1.00 0.00 H new ATOM 0 HE ARG A 20 4.174 12.897 21.143 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.911 13.383 23.152 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.512 14.931 23.905 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.691 16.131 21.235 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.306 16.424 22.865 1.00 0.00 H new ATOM 331 N GLU A 21 0.100 9.567 21.537 1.00 0.00 N ATOM 332 CA GLU A 21 -0.938 9.084 22.455 1.00 0.00 C ATOM 333 C GLU A 21 -0.334 8.185 23.551 1.00 0.00 C ATOM 334 O GLU A 21 -0.786 8.225 24.697 1.00 0.00 O ATOM 335 CB GLU A 21 -2.062 8.389 21.668 1.00 0.00 C ATOM 336 CG GLU A 21 -3.032 9.365 20.979 1.00 0.00 C ATOM 337 CD GLU A 21 -2.375 10.236 19.899 1.00 0.00 C ATOM 338 OE1 GLU A 21 -2.153 9.726 18.775 1.00 0.00 O ATOM 339 OE2 GLU A 21 -2.104 11.427 20.189 1.00 0.00 O ATOM 0 H GLU A 21 0.092 9.102 20.629 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.383 9.936 22.969 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.617 7.740 20.914 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.626 7.749 22.347 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.845 8.796 20.528 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.477 10.013 21.734 1.00 0.00 H new ATOM 346 N PHE A 22 0.735 7.432 23.262 1.00 0.00 N ATOM 347 CA PHE A 22 1.461 6.642 24.267 1.00 0.00 C ATOM 348 C PHE A 22 2.135 7.571 25.291 1.00 0.00 C ATOM 349 O PHE A 22 2.042 7.346 26.499 1.00 0.00 O ATOM 350 CB PHE A 22 2.481 5.746 23.559 1.00 0.00 C ATOM 351 CG PHE A 22 3.307 4.846 24.457 1.00 0.00 C ATOM 352 CD1 PHE A 22 2.742 3.673 24.992 1.00 0.00 C ATOM 353 CD2 PHE A 22 4.656 5.159 24.723 1.00 0.00 C ATOM 354 CE1 PHE A 22 3.519 2.819 25.797 1.00 0.00 C ATOM 355 CE2 PHE A 22 5.431 4.303 25.525 1.00 0.00 C ATOM 356 CZ PHE A 22 4.863 3.134 26.062 1.00 0.00 C ATOM 0 H PHE A 22 1.123 7.353 22.322 1.00 0.00 H new ATOM 0 HA PHE A 22 0.764 6.007 24.815 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.950 5.122 22.840 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.160 6.381 22.990 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.711 3.428 24.784 1.00 0.00 H new ATOM 0 HD2 PHE A 22 5.094 6.056 24.311 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.083 1.922 26.211 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.464 4.544 25.729 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.460 2.478 26.678 1.00 0.00 H new ATOM 366 N GLN A 23 2.740 8.668 24.817 1.00 0.00 N ATOM 367 CA GLN A 23 3.353 9.726 25.638 1.00 0.00 C ATOM 368 C GLN A 23 2.348 10.463 26.550 1.00 0.00 C ATOM 369 O GLN A 23 2.761 11.150 27.487 1.00 0.00 O ATOM 370 CB GLN A 23 4.101 10.717 24.731 1.00 0.00 C ATOM 371 CG GLN A 23 5.369 10.086 24.137 1.00 0.00 C ATOM 372 CD GLN A 23 6.065 10.997 23.127 1.00 0.00 C ATOM 373 OE1 GLN A 23 5.447 11.681 22.322 1.00 0.00 O ATOM 374 NE2 GLN A 23 7.378 11.073 23.139 1.00 0.00 N ATOM 0 H GLN A 23 2.820 8.852 23.817 1.00 0.00 H new ATOM 0 HA GLN A 23 4.056 9.237 26.312 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.443 11.043 23.925 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.369 11.605 25.303 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.063 9.848 24.943 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.108 9.145 23.652 1.00 0.00 H new ATOM 0 HE21 GLN A 23 7.915 10.513 23.801 1.00 0.00 H new ATOM 0 HE22 GLN A 23 7.859 11.692 22.487 1.00 0.00 H new ATOM 383 N ARG A 24 1.036 10.334 26.291 1.00 0.00 N ATOM 384 CA ARG A 24 -0.066 10.925 27.079 1.00 0.00 C ATOM 385 C ARG A 24 -0.906 9.863 27.816 1.00 0.00 C ATOM 386 O ARG A 24 -1.844 10.212 28.534 1.00 0.00 O ATOM 387 CB ARG A 24 -0.929 11.848 26.187 1.00 0.00 C ATOM 388 CG ARG A 24 -0.362 13.273 26.052 1.00 0.00 C ATOM 389 CD ARG A 24 0.789 13.407 25.047 1.00 0.00 C ATOM 390 NE ARG A 24 1.435 14.729 25.138 1.00 0.00 N ATOM 391 CZ ARG A 24 2.466 15.050 25.903 1.00 0.00 C ATOM 392 NH1 ARG A 24 3.049 14.207 26.717 1.00 0.00 N ATOM 393 NH2 ARG A 24 2.950 16.262 25.866 1.00 0.00 N ATOM 0 H ARG A 24 0.697 9.794 25.495 1.00 0.00 H new ATOM 0 HA ARG A 24 0.378 11.537 27.864 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.016 11.404 25.195 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.936 11.903 26.601 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.168 13.944 25.754 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.014 13.606 27.030 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.527 12.627 25.232 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.410 13.255 24.036 1.00 0.00 H new ATOM 0 HE ARG A 24 1.049 15.470 24.553 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.711 13.247 26.785 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.841 14.510 27.284 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.533 16.959 25.248 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.745 16.512 26.455 1.00 0.00 H new ATOM 407 N GLY A 25 -0.568 8.577 27.677 1.00 0.00 N ATOM 408 CA GLY A 25 -1.249 7.454 28.332 1.00 0.00 C ATOM 409 C GLY A 25 -2.650 7.144 27.788 1.00 0.00 C ATOM 410 O GLY A 25 -3.494 6.647 28.537 1.00 0.00 O ATOM 0 H GLY A 25 0.210 8.279 27.088 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.630 6.563 28.230 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.328 7.667 29.398 1.00 0.00 H new ATOM 414 N THR A 26 -2.918 7.447 26.511 1.00 0.00 N ATOM 415 CA THR A 26 -4.231 7.255 25.857 1.00 0.00 C ATOM 416 C THR A 26 -4.235 6.229 24.716 1.00 0.00 C ATOM 417 O THR A 26 -5.314 5.770 24.329 1.00 0.00 O ATOM 418 CB THR A 26 -4.799 8.593 25.351 1.00 0.00 C ATOM 419 OG1 THR A 26 -3.878 9.243 24.499 1.00 0.00 O ATOM 420 CG2 THR A 26 -5.119 9.554 26.497 1.00 0.00 C ATOM 0 H THR A 26 -2.216 7.842 25.885 1.00 0.00 H new ATOM 0 HA THR A 26 -4.871 6.845 26.639 1.00 0.00 H new ATOM 0 HB THR A 26 -5.715 8.346 24.815 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.261 10.090 24.189 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.517 10.484 26.091 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.858 9.100 27.157 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.210 9.764 27.061 1.00 0.00 H new ATOM 428 N CYS A 27 -3.070 5.822 24.193 1.00 0.00 N ATOM 429 CA CYS A 27 -2.965 4.800 23.142 1.00 0.00 C ATOM 430 C CYS A 27 -3.353 3.404 23.684 1.00 0.00 C ATOM 431 O CYS A 27 -3.070 3.075 24.843 1.00 0.00 O ATOM 432 CB CYS A 27 -1.539 4.825 22.565 1.00 0.00 C ATOM 433 SG CYS A 27 -1.450 3.956 20.966 1.00 0.00 S ATOM 0 H CYS A 27 -2.168 6.195 24.489 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.668 5.022 22.339 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.215 5.858 22.437 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.851 4.360 23.272 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.680 4.618 20.155 1.00 0.00 H new ATOM 438 N SER A 28 -4.007 2.580 22.854 1.00 0.00 N ATOM 439 CA SER A 28 -4.449 1.222 23.210 1.00 0.00 C ATOM 440 C SER A 28 -4.251 0.216 22.059 1.00 0.00 C ATOM 441 O SER A 28 -5.197 -0.410 21.567 1.00 0.00 O ATOM 442 CB SER A 28 -5.895 1.272 23.730 1.00 0.00 C ATOM 443 OG SER A 28 -6.207 0.097 24.466 1.00 0.00 O ATOM 0 H SER A 28 -4.249 2.842 21.898 1.00 0.00 H new ATOM 0 HA SER A 28 -3.816 0.848 24.015 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.029 2.149 24.363 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.584 1.376 22.892 1.00 0.00 H new ATOM 0 HG SER A 28 -7.131 0.149 24.789 1.00 0.00 H new ATOM 449 N ARG A 29 -2.992 0.052 21.629 1.00 0.00 N ATOM 450 CA ARG A 29 -2.535 -0.879 20.574 1.00 0.00 C ATOM 451 C ARG A 29 -1.099 -1.353 20.857 1.00 0.00 C ATOM 452 O ARG A 29 -0.320 -0.591 21.440 1.00 0.00 O ATOM 453 CB ARG A 29 -2.546 -0.195 19.189 1.00 0.00 C ATOM 454 CG ARG A 29 -3.949 0.165 18.674 1.00 0.00 C ATOM 455 CD ARG A 29 -3.949 0.555 17.190 1.00 0.00 C ATOM 456 NE ARG A 29 -3.084 1.716 16.914 1.00 0.00 N ATOM 457 CZ ARG A 29 -3.178 2.553 15.898 1.00 0.00 C ATOM 458 NH1 ARG A 29 -4.120 2.476 14.990 1.00 0.00 N ATOM 459 NH2 ARG A 29 -2.301 3.506 15.772 1.00 0.00 N ATOM 0 H ARG A 29 -2.221 0.590 22.025 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.220 -1.727 20.573 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.946 0.714 19.240 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.064 -0.854 18.467 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.616 -0.684 18.823 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.348 0.991 19.263 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.614 -0.294 16.594 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.968 0.782 16.877 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.332 1.891 17.580 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.827 1.743 15.049 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.147 3.149 14.224 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.549 3.601 16.455 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.365 4.158 14.990 1.00 0.00 H new ATOM 473 N PRO A 30 -0.710 -2.574 20.442 1.00 0.00 N ATOM 474 CA PRO A 30 0.662 -3.049 20.605 1.00 0.00 C ATOM 475 C PRO A 30 1.595 -2.332 19.614 1.00 0.00 C ATOM 476 O PRO A 30 1.162 -1.879 18.551 1.00 0.00 O ATOM 477 CB PRO A 30 0.595 -4.555 20.327 1.00 0.00 C ATOM 478 CG PRO A 30 -0.547 -4.674 19.319 1.00 0.00 C ATOM 479 CD PRO A 30 -1.519 -3.575 19.757 1.00 0.00 C ATOM 0 HA PRO A 30 1.061 -2.846 21.599 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.533 -4.931 19.919 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.392 -5.123 21.235 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.200 -4.520 18.297 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.012 -5.659 19.352 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.031 -3.142 18.898 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.288 -3.975 20.418 1.00 0.00 H new ATOM 487 N ASP A 31 2.894 -2.277 19.929 1.00 0.00 N ATOM 488 CA ASP A 31 3.929 -1.681 19.062 1.00 0.00 C ATOM 489 C ASP A 31 3.887 -2.249 17.626 1.00 0.00 C ATOM 490 O ASP A 31 4.157 -1.546 16.652 1.00 0.00 O ATOM 491 CB ASP A 31 5.298 -1.938 19.711 1.00 0.00 C ATOM 492 CG ASP A 31 6.451 -1.271 18.955 1.00 0.00 C ATOM 493 OD1 ASP A 31 7.030 -1.933 18.062 1.00 0.00 O ATOM 494 OD2 ASP A 31 6.770 -0.109 19.295 1.00 0.00 O ATOM 0 H ASP A 31 3.266 -2.649 20.803 1.00 0.00 H new ATOM 0 HA ASP A 31 3.744 -0.611 18.971 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.283 -1.571 20.737 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.475 -3.012 19.760 1.00 0.00 H new ATOM 499 N THR A 32 3.518 -3.528 17.508 1.00 0.00 N ATOM 500 CA THR A 32 3.375 -4.305 16.272 1.00 0.00 C ATOM 501 C THR A 32 2.283 -3.808 15.318 1.00 0.00 C ATOM 502 O THR A 32 2.362 -4.073 14.119 1.00 0.00 O ATOM 503 CB THR A 32 3.042 -5.770 16.619 1.00 0.00 C ATOM 504 OG1 THR A 32 3.681 -6.177 17.815 1.00 0.00 O ATOM 505 CG2 THR A 32 3.470 -6.759 15.533 1.00 0.00 C ATOM 0 H THR A 32 3.296 -4.087 18.331 1.00 0.00 H new ATOM 0 HA THR A 32 4.331 -4.194 15.760 1.00 0.00 H new ATOM 0 HB THR A 32 1.957 -5.789 16.722 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.449 -7.109 18.009 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.207 -7.772 15.839 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.960 -6.518 14.600 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.548 -6.693 15.385 1.00 0.00 H new ATOM 513 N GLU A 33 1.259 -3.107 15.817 1.00 0.00 N ATOM 514 CA GLU A 33 0.115 -2.639 15.013 1.00 0.00 C ATOM 515 C GLU A 33 -0.068 -1.113 14.999 1.00 0.00 C ATOM 516 O GLU A 33 -0.744 -0.596 14.103 1.00 0.00 O ATOM 517 CB GLU A 33 -1.178 -3.314 15.503 1.00 0.00 C ATOM 518 CG GLU A 33 -1.163 -4.839 15.324 1.00 0.00 C ATOM 519 CD GLU A 33 -2.516 -5.449 15.711 1.00 0.00 C ATOM 520 OE1 GLU A 33 -3.332 -5.707 14.795 1.00 0.00 O ATOM 521 OE2 GLU A 33 -2.740 -5.658 16.929 1.00 0.00 O ATOM 0 H GLU A 33 1.197 -2.844 16.800 1.00 0.00 H new ATOM 0 HA GLU A 33 0.336 -2.924 13.984 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.327 -3.079 16.557 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.027 -2.898 14.960 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.932 -5.085 14.288 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.375 -5.274 15.939 1.00 0.00 H new ATOM 528 N CYS A 34 0.521 -0.389 15.957 1.00 0.00 N ATOM 529 CA CYS A 34 0.419 1.072 16.017 1.00 0.00 C ATOM 530 C CYS A 34 1.203 1.778 14.883 1.00 0.00 C ATOM 531 O CYS A 34 2.076 1.201 14.220 1.00 0.00 O ATOM 532 CB CYS A 34 0.813 1.558 17.421 1.00 0.00 C ATOM 533 SG CYS A 34 0.139 3.226 17.743 1.00 0.00 S ATOM 0 H CYS A 34 1.078 -0.797 16.708 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.620 1.353 15.842 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.441 0.859 18.170 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.899 1.576 17.513 1.00 0.00 H new ATOM 0 HG CYS A 34 -0.487 3.228 18.882 1.00 0.00 H new ATOM 538 N LYS A 35 0.883 3.058 14.673 1.00 0.00 N ATOM 539 CA LYS A 35 1.481 3.960 13.671 1.00 0.00 C ATOM 540 C LYS A 35 2.905 4.429 14.018 1.00 0.00 C ATOM 541 O LYS A 35 3.632 4.880 13.133 1.00 0.00 O ATOM 542 CB LYS A 35 0.553 5.176 13.468 1.00 0.00 C ATOM 543 CG LYS A 35 0.295 5.972 14.762 1.00 0.00 C ATOM 544 CD LYS A 35 -0.538 7.236 14.521 1.00 0.00 C ATOM 545 CE LYS A 35 -0.806 7.917 15.867 1.00 0.00 C ATOM 546 NZ LYS A 35 -1.608 9.147 15.704 1.00 0.00 N ATOM 0 H LYS A 35 0.162 3.523 15.224 1.00 0.00 H new ATOM 0 HA LYS A 35 1.578 3.386 12.749 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.993 5.840 12.724 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.400 4.833 13.065 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.220 5.334 15.480 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.249 6.250 15.209 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.008 7.915 13.854 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.479 6.980 14.034 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.329 7.226 16.527 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.142 8.161 16.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.885 9.507 16.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.043 9.867 15.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.461 8.934 15.149 1.00 0.00 H new ATOM 560 N PHE A 36 3.287 4.329 15.290 1.00 0.00 N ATOM 561 CA PHE A 36 4.557 4.777 15.873 1.00 0.00 C ATOM 562 C PHE A 36 5.071 3.788 16.944 1.00 0.00 C ATOM 563 O PHE A 36 4.465 2.740 17.184 1.00 0.00 O ATOM 564 CB PHE A 36 4.370 6.197 16.436 1.00 0.00 C ATOM 565 CG PHE A 36 4.162 7.315 15.426 1.00 0.00 C ATOM 566 CD1 PHE A 36 5.057 7.486 14.351 1.00 0.00 C ATOM 567 CD2 PHE A 36 3.097 8.223 15.590 1.00 0.00 C ATOM 568 CE1 PHE A 36 4.867 8.533 13.431 1.00 0.00 C ATOM 569 CE2 PHE A 36 2.909 9.273 14.673 1.00 0.00 C ATOM 570 CZ PHE A 36 3.793 9.425 13.589 1.00 0.00 C ATOM 0 H PHE A 36 2.679 3.905 15.990 1.00 0.00 H new ATOM 0 HA PHE A 36 5.323 4.803 15.098 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.513 6.185 17.110 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.245 6.442 17.038 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.892 6.811 14.233 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.421 8.112 16.425 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.548 8.651 12.601 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.087 9.962 14.801 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.646 10.226 12.880 1.00 0.00 H new ATOM 580 N ALA A 37 6.221 4.085 17.558 1.00 0.00 N ATOM 581 CA ALA A 37 6.885 3.201 18.516 1.00 0.00 C ATOM 582 C ALA A 37 6.441 3.431 19.979 1.00 0.00 C ATOM 583 O ALA A 37 6.109 4.549 20.380 1.00 0.00 O ATOM 584 CB ALA A 37 8.393 3.453 18.383 1.00 0.00 C ATOM 0 H ALA A 37 6.722 4.959 17.400 1.00 0.00 H new ATOM 0 HA ALA A 37 6.614 2.171 18.286 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.932 2.813 19.082 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.711 3.228 17.365 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.609 4.498 18.608 1.00 0.00 H new ATOM 590 N HIS A 38 6.457 2.355 20.775 1.00 0.00 N ATOM 591 CA HIS A 38 6.084 2.299 22.199 1.00 0.00 C ATOM 592 C HIS A 38 7.278 1.823 23.069 1.00 0.00 C ATOM 593 O HIS A 38 7.346 0.643 23.434 1.00 0.00 O ATOM 594 CB HIS A 38 4.832 1.415 22.376 1.00 0.00 C ATOM 595 CG HIS A 38 3.584 1.894 21.666 1.00 0.00 C ATOM 596 ND1 HIS A 38 2.513 1.116 21.277 1.00 0.00 N ATOM 597 CD2 HIS A 38 3.274 3.184 21.322 1.00 0.00 C ATOM 598 CE1 HIS A 38 1.595 1.919 20.706 1.00 0.00 C ATOM 599 NE2 HIS A 38 2.016 3.193 20.706 1.00 0.00 N ATOM 0 H HIS A 38 6.748 1.443 20.423 1.00 0.00 H new ATOM 0 HA HIS A 38 5.833 3.301 22.546 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.066 0.411 22.022 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.614 1.335 23.441 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.896 4.049 21.497 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.650 1.584 20.304 1.00 0.00 H new ATOM 0 HE2 HIS A 38 1.521 4.003 20.333 1.00 0.00 H new ATOM 607 N PRO A 39 8.255 2.701 23.378 1.00 0.00 N ATOM 608 CA PRO A 39 9.458 2.366 24.151 1.00 0.00 C ATOM 609 C PRO A 39 9.215 2.051 25.635 1.00 0.00 C ATOM 610 O PRO A 39 8.179 2.380 26.217 1.00 0.00 O ATOM 611 CB PRO A 39 10.385 3.573 24.020 1.00 0.00 C ATOM 612 CG PRO A 39 9.426 4.738 23.796 1.00 0.00 C ATOM 613 CD PRO A 39 8.296 4.104 22.989 1.00 0.00 C ATOM 0 HA PRO A 39 9.878 1.444 23.750 1.00 0.00 H new ATOM 0 HB2 PRO A 39 10.987 3.716 24.918 1.00 0.00 H new ATOM 0 HB3 PRO A 39 11.078 3.458 23.187 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.066 5.151 24.738 1.00 0.00 H new ATOM 0 HG3 PRO A 39 9.902 5.553 23.252 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.345 4.594 23.199 1.00 0.00 H new ATOM 0 HD3 PRO A 39 8.477 4.206 21.919 1.00 0.00 H new ATOM 621 N SER A 40 10.233 1.454 26.257 1.00 0.00 N ATOM 622 CA SER A 40 10.307 1.123 27.686 1.00 0.00 C ATOM 623 C SER A 40 11.251 2.087 28.421 1.00 0.00 C ATOM 624 O SER A 40 11.933 2.909 27.799 1.00 0.00 O ATOM 625 CB SER A 40 10.803 -0.321 27.852 1.00 0.00 C ATOM 626 OG SER A 40 12.191 -0.410 27.562 1.00 0.00 O ATOM 0 H SER A 40 11.074 1.172 25.753 1.00 0.00 H new ATOM 0 HA SER A 40 9.312 1.221 28.120 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.617 -0.660 28.871 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.244 -0.982 27.189 1.00 0.00 H new ATOM 0 HG SER A 40 12.353 -0.112 26.643 1.00 0.00 H new ATOM 632 N LYS A 41 11.348 1.962 29.751 1.00 0.00 N ATOM 633 CA LYS A 41 12.270 2.767 30.579 1.00 0.00 C ATOM 634 C LYS A 41 13.754 2.514 30.260 1.00 0.00 C ATOM 635 O LYS A 41 14.597 3.368 30.543 1.00 0.00 O ATOM 636 CB LYS A 41 11.994 2.525 32.076 1.00 0.00 C ATOM 637 CG LYS A 41 10.564 2.860 32.541 1.00 0.00 C ATOM 638 CD LYS A 41 10.179 4.330 32.319 1.00 0.00 C ATOM 639 CE LYS A 41 8.795 4.607 32.914 1.00 0.00 C ATOM 640 NZ LYS A 41 8.402 6.017 32.716 1.00 0.00 N ATOM 0 H LYS A 41 10.790 1.299 30.289 1.00 0.00 H new ATOM 0 HA LYS A 41 12.075 3.811 30.334 1.00 0.00 H new ATOM 0 HB2 LYS A 41 12.197 1.478 32.302 1.00 0.00 H new ATOM 0 HB3 LYS A 41 12.697 3.119 32.660 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.858 2.223 32.008 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.470 2.624 33.601 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.920 4.982 32.782 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.177 4.557 31.253 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.058 3.952 32.448 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.801 4.374 33.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.461 6.176 33.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.094 6.639 33.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.374 6.230 31.698 1.00 0.00 H new ATOM 654 N SER A 42 14.069 1.364 29.661 1.00 0.00 N ATOM 655 CA SER A 42 15.426 0.961 29.253 1.00 0.00 C ATOM 656 C SER A 42 15.781 1.359 27.811 1.00 0.00 C ATOM 657 O SER A 42 16.964 1.377 27.455 1.00 0.00 O ATOM 658 CB SER A 42 15.586 -0.559 29.395 1.00 0.00 C ATOM 659 OG SER A 42 15.333 -0.966 30.733 1.00 0.00 O ATOM 0 H SER A 42 13.366 0.660 29.437 1.00 0.00 H new ATOM 0 HA SER A 42 16.108 1.494 29.915 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.899 -1.067 28.719 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.595 -0.853 29.104 1.00 0.00 H new ATOM 0 HG SER A 42 15.438 -1.938 30.805 1.00 0.00 H new ATOM 665 N CYS A 43 14.790 1.686 26.972 1.00 0.00 N ATOM 666 CA CYS A 43 15.015 2.081 25.579 1.00 0.00 C ATOM 667 C CYS A 43 15.782 3.409 25.464 1.00 0.00 C ATOM 668 O CYS A 43 15.611 4.321 26.277 1.00 0.00 O ATOM 669 CB CYS A 43 13.666 2.190 24.859 1.00 0.00 C ATOM 670 SG CYS A 43 12.979 0.539 24.545 1.00 0.00 S ATOM 0 H CYS A 43 13.807 1.683 27.243 1.00 0.00 H new ATOM 0 HA CYS A 43 15.632 1.314 25.111 1.00 0.00 H new ATOM 0 HB2 CYS A 43 12.970 2.771 25.464 1.00 0.00 H new ATOM 0 HB3 CYS A 43 13.792 2.723 23.917 1.00 0.00 H new ATOM 0 HG CYS A 43 11.950 0.640 23.757 1.00 0.00 H new ATOM 676 N GLN A 44 16.599 3.542 24.417 1.00 0.00 N ATOM 677 CA GLN A 44 17.372 4.756 24.118 1.00 0.00 C ATOM 678 C GLN A 44 16.515 5.812 23.401 1.00 0.00 C ATOM 679 O GLN A 44 16.736 6.155 22.236 1.00 0.00 O ATOM 680 CB GLN A 44 18.660 4.394 23.363 1.00 0.00 C ATOM 681 CG GLN A 44 19.589 3.505 24.202 1.00 0.00 C ATOM 682 CD GLN A 44 19.952 4.102 25.563 1.00 0.00 C ATOM 683 OE1 GLN A 44 20.732 5.037 25.680 1.00 0.00 O ATOM 684 NE2 GLN A 44 19.400 3.594 26.646 1.00 0.00 N ATOM 0 H GLN A 44 16.747 2.796 23.738 1.00 0.00 H new ATOM 0 HA GLN A 44 17.676 5.222 25.055 1.00 0.00 H new ATOM 0 HB2 GLN A 44 18.405 3.879 22.437 1.00 0.00 H new ATOM 0 HB3 GLN A 44 19.186 5.307 23.085 1.00 0.00 H new ATOM 0 HG2 GLN A 44 19.110 2.538 24.356 1.00 0.00 H new ATOM 0 HG3 GLN A 44 20.505 3.321 23.641 1.00 0.00 H new ATOM 0 HE21 GLN A 44 18.747 2.814 26.568 1.00 0.00 H new ATOM 0 HE22 GLN A 44 19.625 3.981 27.563 1.00 0.00 H new ATOM 693 N VAL A 45 15.499 6.303 24.114 1.00 0.00 N ATOM 694 CA VAL A 45 14.564 7.339 23.655 1.00 0.00 C ATOM 695 C VAL A 45 15.269 8.705 23.655 1.00 0.00 C ATOM 696 O VAL A 45 15.973 9.044 24.607 1.00 0.00 O ATOM 697 CB VAL A 45 13.301 7.386 24.545 1.00 0.00 C ATOM 698 CG1 VAL A 45 12.212 8.270 23.921 1.00 0.00 C ATOM 699 CG2 VAL A 45 12.688 5.991 24.756 1.00 0.00 C ATOM 0 H VAL A 45 15.295 5.981 25.060 1.00 0.00 H new ATOM 0 HA VAL A 45 14.247 7.095 22.641 1.00 0.00 H new ATOM 0 HB VAL A 45 13.630 7.795 25.500 1.00 0.00 H new ATOM 0 HG11 VAL A 45 11.337 8.282 24.571 1.00 0.00 H new ATOM 0 HG12 VAL A 45 12.591 9.285 23.803 1.00 0.00 H new ATOM 0 HG13 VAL A 45 11.934 7.871 22.946 1.00 0.00 H new ATOM 0 HG21 VAL A 45 11.803 6.074 25.387 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.407 5.567 23.792 1.00 0.00 H new ATOM 0 HG23 VAL A 45 13.418 5.342 25.239 1.00 0.00 H new ATOM 709 N GLU A 46 15.099 9.498 22.600 1.00 0.00 N ATOM 710 CA GLU A 46 15.688 10.832 22.439 1.00 0.00 C ATOM 711 C GLU A 46 14.844 11.691 21.478 1.00 0.00 C ATOM 712 O GLU A 46 14.440 11.220 20.416 1.00 0.00 O ATOM 713 CB GLU A 46 17.131 10.678 21.908 1.00 0.00 C ATOM 714 CG GLU A 46 17.909 11.994 21.740 1.00 0.00 C ATOM 715 CD GLU A 46 18.112 12.728 23.073 1.00 0.00 C ATOM 716 OE1 GLU A 46 17.171 13.445 23.490 1.00 0.00 O ATOM 717 OE2 GLU A 46 19.201 12.575 23.676 1.00 0.00 O ATOM 0 H GLU A 46 14.527 9.222 21.802 1.00 0.00 H new ATOM 0 HA GLU A 46 15.705 11.340 23.403 1.00 0.00 H new ATOM 0 HB2 GLU A 46 17.685 10.031 22.588 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.095 10.170 20.944 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.880 11.784 21.292 1.00 0.00 H new ATOM 0 HG3 GLU A 46 17.373 12.644 21.048 1.00 0.00 H new ATOM 724 N ASN A 47 14.595 12.957 21.836 1.00 0.00 N ATOM 725 CA ASN A 47 13.840 13.952 21.052 1.00 0.00 C ATOM 726 C ASN A 47 12.542 13.427 20.377 1.00 0.00 C ATOM 727 O ASN A 47 12.236 13.767 19.232 1.00 0.00 O ATOM 728 CB ASN A 47 14.828 14.632 20.079 1.00 0.00 C ATOM 729 CG ASN A 47 14.279 15.908 19.451 1.00 0.00 C ATOM 730 OD1 ASN A 47 13.552 16.679 20.065 1.00 0.00 O ATOM 731 ND2 ASN A 47 14.622 16.186 18.213 1.00 0.00 N ATOM 0 H ASN A 47 14.929 13.337 22.722 1.00 0.00 H new ATOM 0 HA ASN A 47 13.431 14.691 21.740 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.749 14.866 20.613 1.00 0.00 H new ATOM 0 HB3 ASN A 47 15.088 13.929 19.287 1.00 0.00 H new ATOM 0 HD21 ASN A 47 14.283 17.040 17.769 1.00 0.00 H new ATOM 0 HD22 ASN A 47 15.227 15.548 17.696 1.00 0.00 H new ATOM 738 N GLY A 48 11.778 12.570 21.067 1.00 0.00 N ATOM 739 CA GLY A 48 10.522 11.987 20.558 1.00 0.00 C ATOM 740 C GLY A 48 10.687 10.775 19.627 1.00 0.00 C ATOM 741 O GLY A 48 9.728 10.381 18.960 1.00 0.00 O ATOM 0 H GLY A 48 12.015 12.256 22.008 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.909 11.689 21.408 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.972 12.762 20.024 1.00 0.00 H new ATOM 745 N ARG A 49 11.883 10.181 19.563 1.00 0.00 N ATOM 746 CA ARG A 49 12.246 9.007 18.749 1.00 0.00 C ATOM 747 C ARG A 49 12.980 7.963 19.605 1.00 0.00 C ATOM 748 O ARG A 49 13.414 8.271 20.710 1.00 0.00 O ATOM 749 CB ARG A 49 13.177 9.424 17.587 1.00 0.00 C ATOM 750 CG ARG A 49 12.598 10.259 16.431 1.00 0.00 C ATOM 751 CD ARG A 49 12.372 11.742 16.741 1.00 0.00 C ATOM 752 NE ARG A 49 12.032 12.487 15.516 1.00 0.00 N ATOM 753 CZ ARG A 49 11.731 13.773 15.441 1.00 0.00 C ATOM 754 NH1 ARG A 49 11.700 14.560 16.483 1.00 0.00 N ATOM 755 NH2 ARG A 49 11.447 14.310 14.285 1.00 0.00 N ATOM 0 H ARG A 49 12.673 10.524 20.109 1.00 0.00 H new ATOM 0 HA ARG A 49 11.325 8.579 18.353 1.00 0.00 H new ATOM 0 HB2 ARG A 49 14.007 9.986 18.015 1.00 0.00 H new ATOM 0 HB3 ARG A 49 13.596 8.514 17.158 1.00 0.00 H new ATOM 0 HG2 ARG A 49 13.271 10.182 15.577 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.648 9.820 16.128 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.569 11.847 17.471 1.00 0.00 H new ATOM 0 HD3 ARG A 49 13.270 12.165 17.192 1.00 0.00 H new ATOM 0 HE ARG A 49 12.028 11.961 14.642 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.914 14.189 17.409 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.462 15.545 16.371 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.457 13.738 13.441 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.215 15.301 14.227 1.00 0.00 H new ATOM 769 N VAL A 50 13.185 6.753 19.084 1.00 0.00 N ATOM 770 CA VAL A 50 14.003 5.695 19.711 1.00 0.00 C ATOM 771 C VAL A 50 14.983 5.199 18.660 1.00 0.00 C ATOM 772 O VAL A 50 14.588 4.984 17.513 1.00 0.00 O ATOM 773 CB VAL A 50 13.219 4.440 20.156 1.00 0.00 C ATOM 774 CG1 VAL A 50 14.028 3.666 21.207 1.00 0.00 C ATOM 775 CG2 VAL A 50 11.820 4.674 20.699 1.00 0.00 C ATOM 0 H VAL A 50 12.780 6.467 18.193 1.00 0.00 H new ATOM 0 HA VAL A 50 14.449 6.147 20.597 1.00 0.00 H new ATOM 0 HB VAL A 50 13.081 3.875 19.234 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.470 2.782 21.517 1.00 0.00 H new ATOM 0 HG12 VAL A 50 14.983 3.361 20.779 1.00 0.00 H new ATOM 0 HG13 VAL A 50 14.206 4.305 22.072 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.373 3.719 20.977 1.00 0.00 H new ATOM 0 HG22 VAL A 50 11.873 5.319 21.576 1.00 0.00 H new ATOM 0 HG23 VAL A 50 11.208 5.152 19.934 1.00 0.00 H new ATOM 785 N ILE A 51 16.239 4.970 19.036 1.00 0.00 N ATOM 786 CA ILE A 51 17.226 4.364 18.137 1.00 0.00 C ATOM 787 C ILE A 51 16.864 2.874 18.001 1.00 0.00 C ATOM 788 O ILE A 51 16.677 2.186 19.009 1.00 0.00 O ATOM 789 CB ILE A 51 18.655 4.568 18.683 1.00 0.00 C ATOM 790 CG1 ILE A 51 18.958 6.067 18.908 1.00 0.00 C ATOM 791 CG2 ILE A 51 19.682 3.958 17.710 1.00 0.00 C ATOM 792 CD1 ILE A 51 20.303 6.314 19.591 1.00 0.00 C ATOM 0 H ILE A 51 16.602 5.196 19.962 1.00 0.00 H new ATOM 0 HA ILE A 51 17.206 4.836 17.155 1.00 0.00 H new ATOM 0 HB ILE A 51 18.728 4.062 19.646 1.00 0.00 H new ATOM 0 HG12 ILE A 51 18.946 6.582 17.947 1.00 0.00 H new ATOM 0 HG13 ILE A 51 18.164 6.504 19.514 1.00 0.00 H new ATOM 0 HG21 ILE A 51 20.688 4.106 18.103 1.00 0.00 H new ATOM 0 HG22 ILE A 51 19.489 2.891 17.599 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.596 4.445 16.738 1.00 0.00 H new ATOM 0 HD11 ILE A 51 20.455 7.386 19.719 1.00 0.00 H new ATOM 0 HD12 ILE A 51 20.311 5.827 20.566 1.00 0.00 H new ATOM 0 HD13 ILE A 51 21.104 5.906 18.975 1.00 0.00 H new ATOM 804 N ALA A 52 16.731 2.375 16.773 1.00 0.00 N ATOM 805 CA ALA A 52 16.379 0.986 16.487 1.00 0.00 C ATOM 806 C ALA A 52 17.609 0.052 16.420 1.00 0.00 C ATOM 807 O ALA A 52 18.722 0.483 16.099 1.00 0.00 O ATOM 808 CB ALA A 52 15.551 0.953 15.201 1.00 0.00 C ATOM 0 H ALA A 52 16.868 2.937 15.933 1.00 0.00 H new ATOM 0 HA ALA A 52 15.784 0.596 17.313 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.278 -0.077 14.970 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.647 1.547 15.335 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.137 1.366 14.380 1.00 0.00 H new ATOM 814 N CYS A 53 17.396 -1.227 16.739 1.00 0.00 N ATOM 815 CA CYS A 53 18.404 -2.289 16.741 1.00 0.00 C ATOM 816 C CYS A 53 18.808 -2.657 15.294 1.00 0.00 C ATOM 817 O CYS A 53 18.039 -3.289 14.566 1.00 0.00 O ATOM 818 CB CYS A 53 17.807 -3.471 17.530 1.00 0.00 C ATOM 819 SG CYS A 53 18.970 -4.852 17.801 1.00 0.00 S ATOM 0 H CYS A 53 16.474 -1.565 17.015 1.00 0.00 H new ATOM 0 HA CYS A 53 19.329 -1.972 17.223 1.00 0.00 H new ATOM 0 HB2 CYS A 53 17.459 -3.109 18.497 1.00 0.00 H new ATOM 0 HB3 CYS A 53 16.933 -3.846 16.996 1.00 0.00 H new ATOM 0 HG CYS A 53 18.992 -5.159 19.064 1.00 0.00 H new ATOM 824 N PHE A 54 20.003 -2.251 14.850 1.00 0.00 N ATOM 825 CA PHE A 54 20.528 -2.528 13.502 1.00 0.00 C ATOM 826 C PHE A 54 20.471 -4.026 13.161 1.00 0.00 C ATOM 827 O PHE A 54 20.053 -4.399 12.064 1.00 0.00 O ATOM 828 CB PHE A 54 21.966 -1.999 13.394 1.00 0.00 C ATOM 829 CG PHE A 54 22.681 -2.247 12.075 1.00 0.00 C ATOM 830 CD1 PHE A 54 23.389 -3.447 11.868 1.00 0.00 C ATOM 831 CD2 PHE A 54 22.701 -1.255 11.078 1.00 0.00 C ATOM 832 CE1 PHE A 54 24.124 -3.646 10.686 1.00 0.00 C ATOM 833 CE2 PHE A 54 23.443 -1.449 9.896 1.00 0.00 C ATOM 834 CZ PHE A 54 24.159 -2.642 9.702 1.00 0.00 C ATOM 0 H PHE A 54 20.647 -1.710 15.427 1.00 0.00 H new ATOM 0 HA PHE A 54 19.897 -2.014 12.777 1.00 0.00 H new ATOM 0 HB2 PHE A 54 21.949 -0.925 13.577 1.00 0.00 H new ATOM 0 HB3 PHE A 54 22.556 -2.449 14.192 1.00 0.00 H new ATOM 0 HD1 PHE A 54 23.367 -4.220 12.622 1.00 0.00 H new ATOM 0 HD2 PHE A 54 22.145 -0.340 11.219 1.00 0.00 H new ATOM 0 HE1 PHE A 54 24.662 -4.570 10.534 1.00 0.00 H new ATOM 0 HE2 PHE A 54 23.461 -0.680 9.138 1.00 0.00 H new ATOM 0 HZ PHE A 54 24.735 -2.788 8.800 1.00 0.00 H new ATOM 844 N ASP A 55 20.831 -4.899 14.106 1.00 0.00 N ATOM 845 CA ASP A 55 20.747 -6.349 13.910 1.00 0.00 C ATOM 846 C ASP A 55 19.286 -6.825 13.719 1.00 0.00 C ATOM 847 O ASP A 55 19.039 -7.731 12.916 1.00 0.00 O ATOM 848 CB ASP A 55 21.460 -7.074 15.059 1.00 0.00 C ATOM 849 CG ASP A 55 22.985 -6.920 15.030 1.00 0.00 C ATOM 850 OD1 ASP A 55 23.570 -7.013 13.924 1.00 0.00 O ATOM 851 OD2 ASP A 55 23.577 -6.787 16.127 1.00 0.00 O ATOM 0 H ASP A 55 21.186 -4.624 15.022 1.00 0.00 H new ATOM 0 HA ASP A 55 21.261 -6.605 12.984 1.00 0.00 H new ATOM 0 HB2 ASP A 55 21.083 -6.692 16.008 1.00 0.00 H new ATOM 0 HB3 ASP A 55 21.210 -8.134 15.020 1.00 0.00 H new ATOM 856 N SER A 56 18.305 -6.176 14.362 1.00 0.00 N ATOM 857 CA SER A 56 16.874 -6.440 14.148 1.00 0.00 C ATOM 858 C SER A 56 16.439 -5.966 12.754 1.00 0.00 C ATOM 859 O SER A 56 15.739 -6.704 12.057 1.00 0.00 O ATOM 860 CB SER A 56 16.014 -5.766 15.225 1.00 0.00 C ATOM 861 OG SER A 56 14.649 -6.137 15.094 1.00 0.00 O ATOM 0 H SER A 56 18.484 -5.446 15.052 1.00 0.00 H new ATOM 0 HA SER A 56 16.724 -7.517 14.218 1.00 0.00 H new ATOM 0 HB2 SER A 56 16.377 -6.047 16.214 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.109 -4.683 15.146 1.00 0.00 H new ATOM 0 HG SER A 56 14.122 -5.696 15.792 1.00 0.00 H new ATOM 867 N LEU A 57 16.896 -4.791 12.283 1.00 0.00 N ATOM 868 CA LEU A 57 16.612 -4.316 10.917 1.00 0.00 C ATOM 869 C LEU A 57 17.143 -5.292 9.851 1.00 0.00 C ATOM 870 O LEU A 57 16.515 -5.459 8.803 1.00 0.00 O ATOM 871 CB LEU A 57 17.193 -2.908 10.650 1.00 0.00 C ATOM 872 CG LEU A 57 16.443 -1.671 11.171 1.00 0.00 C ATOM 873 CD1 LEU A 57 14.932 -1.752 10.978 1.00 0.00 C ATOM 874 CD2 LEU A 57 16.705 -1.346 12.630 1.00 0.00 C ATOM 0 H LEU A 57 17.467 -4.150 12.833 1.00 0.00 H new ATOM 0 HA LEU A 57 15.526 -4.262 10.843 1.00 0.00 H new ATOM 0 HB2 LEU A 57 18.198 -2.883 11.072 1.00 0.00 H new ATOM 0 HB3 LEU A 57 17.298 -2.797 9.571 1.00 0.00 H new ATOM 0 HG LEU A 57 16.853 -0.871 10.554 1.00 0.00 H new ATOM 0 HD11 LEU A 57 14.466 -0.847 11.368 1.00 0.00 H new ATOM 0 HD12 LEU A 57 14.705 -1.848 9.916 1.00 0.00 H new ATOM 0 HD13 LEU A 57 14.543 -2.619 11.512 1.00 0.00 H new ATOM 0 HD21 LEU A 57 16.137 -0.460 12.913 1.00 0.00 H new ATOM 0 HD22 LEU A 57 16.398 -2.188 13.251 1.00 0.00 H new ATOM 0 HD23 LEU A 57 17.769 -1.156 12.775 1.00 0.00 H new ATOM 886 N LYS A 58 18.267 -5.969 10.129 1.00 0.00 N ATOM 887 CA LYS A 58 18.866 -7.001 9.260 1.00 0.00 C ATOM 888 C LYS A 58 18.189 -8.381 9.414 1.00 0.00 C ATOM 889 O LYS A 58 18.524 -9.317 8.686 1.00 0.00 O ATOM 890 CB LYS A 58 20.394 -7.043 9.481 1.00 0.00 C ATOM 891 CG LYS A 58 21.161 -6.082 8.548 1.00 0.00 C ATOM 892 CD LYS A 58 20.863 -4.587 8.762 1.00 0.00 C ATOM 893 CE LYS A 58 21.625 -3.695 7.777 1.00 0.00 C ATOM 894 NZ LYS A 58 21.103 -3.821 6.398 1.00 0.00 N ATOM 0 H LYS A 58 18.800 -5.813 10.984 1.00 0.00 H new ATOM 0 HA LYS A 58 18.684 -6.724 8.221 1.00 0.00 H new ATOM 0 HB2 LYS A 58 20.614 -6.788 10.518 1.00 0.00 H new ATOM 0 HB3 LYS A 58 20.752 -8.060 9.321 1.00 0.00 H new ATOM 0 HG2 LYS A 58 22.230 -6.246 8.682 1.00 0.00 H new ATOM 0 HG3 LYS A 58 20.926 -6.339 7.515 1.00 0.00 H new ATOM 0 HD2 LYS A 58 19.793 -4.413 8.653 1.00 0.00 H new ATOM 0 HD3 LYS A 58 21.129 -4.308 9.782 1.00 0.00 H new ATOM 0 HE2 LYS A 58 21.553 -2.656 8.098 1.00 0.00 H new ATOM 0 HE3 LYS A 58 22.682 -3.960 7.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 21.623 -3.176 5.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 21.226 -4.800 6.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 20.092 -3.576 6.386 1.00 0.00 H new ATOM 908 N GLY A 59 17.209 -8.505 10.316 1.00 0.00 N ATOM 909 CA GLY A 59 16.376 -9.694 10.536 1.00 0.00 C ATOM 910 C GLY A 59 16.882 -10.728 11.542 1.00 0.00 C ATOM 911 O GLY A 59 16.261 -11.790 11.662 1.00 0.00 O ATOM 0 H GLY A 59 16.962 -7.740 10.944 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.391 -9.360 10.862 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.242 -10.194 9.577 1.00 0.00 H new ATOM 915 N ARG A 60 17.967 -10.453 12.278 1.00 0.00 N ATOM 916 CA ARG A 60 18.512 -11.363 13.299 1.00 0.00 C ATOM 917 C ARG A 60 19.303 -10.609 14.370 1.00 0.00 C ATOM 918 O ARG A 60 20.513 -10.409 14.238 1.00 0.00 O ATOM 919 CB ARG A 60 19.358 -12.475 12.644 1.00 0.00 C ATOM 920 CG ARG A 60 19.834 -13.538 13.651 1.00 0.00 C ATOM 921 CD ARG A 60 18.682 -14.339 14.276 1.00 0.00 C ATOM 922 NE ARG A 60 19.157 -15.582 14.912 1.00 0.00 N ATOM 923 CZ ARG A 60 19.726 -15.718 16.100 1.00 0.00 C ATOM 924 NH1 ARG A 60 20.068 -16.905 16.522 1.00 0.00 N ATOM 925 NH2 ARG A 60 19.979 -14.717 16.902 1.00 0.00 N ATOM 0 H ARG A 60 18.497 -9.587 12.182 1.00 0.00 H new ATOM 0 HA ARG A 60 17.670 -11.836 13.805 1.00 0.00 H new ATOM 0 HB2 ARG A 60 18.771 -12.959 11.863 1.00 0.00 H new ATOM 0 HB3 ARG A 60 20.225 -12.027 12.159 1.00 0.00 H new ATOM 0 HG2 ARG A 60 20.515 -14.225 13.149 1.00 0.00 H new ATOM 0 HG3 ARG A 60 20.401 -13.050 14.444 1.00 0.00 H new ATOM 0 HD2 ARG A 60 18.173 -13.724 15.018 1.00 0.00 H new ATOM 0 HD3 ARG A 60 17.950 -14.582 13.506 1.00 0.00 H new ATOM 0 HE ARG A 60 19.032 -16.439 14.373 1.00 0.00 H new ATOM 0 HH11 ARG A 60 19.897 -17.723 15.937 1.00 0.00 H new ATOM 0 HH12 ARG A 60 20.507 -17.014 17.436 1.00 0.00 H new ATOM 0 HH21 ARG A 60 19.735 -13.766 16.624 1.00 0.00 H new ATOM 0 HH22 ARG A 60 20.420 -14.887 17.806 1.00 0.00 H new ATOM 939 N CYS A 61 18.607 -10.238 15.443 1.00 0.00 N ATOM 940 CA CYS A 61 19.200 -9.602 16.624 1.00 0.00 C ATOM 941 C CYS A 61 20.312 -10.514 17.193 1.00 0.00 C ATOM 942 O CYS A 61 20.109 -11.727 17.337 1.00 0.00 O ATOM 943 CB CYS A 61 18.102 -9.298 17.655 1.00 0.00 C ATOM 944 SG CYS A 61 18.795 -8.361 19.061 1.00 0.00 S ATOM 0 H CYS A 61 17.599 -10.372 15.520 1.00 0.00 H new ATOM 0 HA CYS A 61 19.661 -8.651 16.355 1.00 0.00 H new ATOM 0 HB2 CYS A 61 17.302 -8.725 17.186 1.00 0.00 H new ATOM 0 HB3 CYS A 61 17.661 -10.229 18.012 1.00 0.00 H new ATOM 0 HG CYS A 61 18.926 -7.111 18.727 1.00 0.00 H new ATOM 949 N SER A 62 21.496 -9.952 17.469 1.00 0.00 N ATOM 950 CA SER A 62 22.663 -10.709 17.956 1.00 0.00 C ATOM 951 C SER A 62 23.665 -9.868 18.776 1.00 0.00 C ATOM 952 O SER A 62 24.829 -10.258 18.928 1.00 0.00 O ATOM 953 CB SER A 62 23.354 -11.362 16.742 1.00 0.00 C ATOM 954 OG SER A 62 24.207 -12.429 17.129 1.00 0.00 O ATOM 0 H SER A 62 21.675 -8.954 17.361 1.00 0.00 H new ATOM 0 HA SER A 62 22.300 -11.464 18.653 1.00 0.00 H new ATOM 0 HB2 SER A 62 22.598 -11.734 16.051 1.00 0.00 H new ATOM 0 HB3 SER A 62 23.933 -10.610 16.206 1.00 0.00 H new ATOM 0 HG SER A 62 24.764 -12.145 17.884 1.00 0.00 H new ATOM 1013 N CYS A 66 21.952 -5.154 23.867 1.00 0.00 N ATOM 1014 CA CYS A 66 20.762 -4.697 23.150 1.00 0.00 C ATOM 1015 C CYS A 66 19.821 -3.904 24.089 1.00 0.00 C ATOM 1016 O CYS A 66 19.250 -4.436 25.051 1.00 0.00 O ATOM 1017 CB CYS A 66 20.099 -5.939 22.524 1.00 0.00 C ATOM 1018 SG CYS A 66 18.723 -5.485 21.416 1.00 0.00 S ATOM 0 HA CYS A 66 21.021 -3.998 22.354 1.00 0.00 H new ATOM 0 HB2 CYS A 66 20.844 -6.506 21.965 1.00 0.00 H new ATOM 0 HB3 CYS A 66 19.729 -6.591 23.315 1.00 0.00 H new ATOM 0 HG CYS A 66 18.561 -6.415 20.522 1.00 0.00 H new ATOM 1023 N LYS A 67 19.719 -2.597 23.812 1.00 0.00 N ATOM 1024 CA LYS A 67 18.930 -1.572 24.536 1.00 0.00 C ATOM 1025 C LYS A 67 18.125 -0.661 23.586 1.00 0.00 C ATOM 1026 O LYS A 67 17.708 0.441 23.950 1.00 0.00 O ATOM 1027 CB LYS A 67 19.876 -0.776 25.460 1.00 0.00 C ATOM 1028 CG LYS A 67 20.957 0.031 24.711 1.00 0.00 C ATOM 1029 CD LYS A 67 21.818 0.839 25.692 1.00 0.00 C ATOM 1030 CE LYS A 67 22.733 1.805 24.934 1.00 0.00 C ATOM 1031 NZ LYS A 67 23.662 2.500 25.850 1.00 0.00 N ATOM 0 H LYS A 67 20.219 -2.192 23.021 1.00 0.00 H new ATOM 0 HA LYS A 67 18.178 -2.072 25.146 1.00 0.00 H new ATOM 0 HB2 LYS A 67 19.283 -0.092 26.067 1.00 0.00 H new ATOM 0 HB3 LYS A 67 20.365 -1.469 26.145 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.590 -0.647 24.138 1.00 0.00 H new ATOM 0 HG3 LYS A 67 20.484 0.705 23.997 1.00 0.00 H new ATOM 0 HD2 LYS A 67 21.176 1.397 26.374 1.00 0.00 H new ATOM 0 HD3 LYS A 67 22.418 0.162 26.300 1.00 0.00 H new ATOM 0 HE2 LYS A 67 23.302 1.256 24.184 1.00 0.00 H new ATOM 0 HE3 LYS A 67 22.128 2.539 24.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 24.268 3.147 25.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 23.118 3.043 26.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 24.255 1.800 26.340 1.00 0.00 H new ATOM 1045 N TYR A 68 17.945 -1.116 22.350 1.00 0.00 N ATOM 1046 CA TYR A 68 17.333 -0.402 21.228 1.00 0.00 C ATOM 1047 C TYR A 68 15.947 -0.969 20.847 1.00 0.00 C ATOM 1048 O TYR A 68 15.535 -2.021 21.344 1.00 0.00 O ATOM 1049 CB TYR A 68 18.357 -0.467 20.078 1.00 0.00 C ATOM 1050 CG TYR A 68 19.709 0.149 20.420 1.00 0.00 C ATOM 1051 CD1 TYR A 68 19.778 1.518 20.742 1.00 0.00 C ATOM 1052 CD2 TYR A 68 20.885 -0.635 20.450 1.00 0.00 C ATOM 1053 CE1 TYR A 68 21.004 2.105 21.104 1.00 0.00 C ATOM 1054 CE2 TYR A 68 22.116 -0.056 20.832 1.00 0.00 C ATOM 1055 CZ TYR A 68 22.172 1.316 21.167 1.00 0.00 C ATOM 1056 OH TYR A 68 23.345 1.879 21.561 1.00 0.00 O ATOM 0 H TYR A 68 18.242 -2.055 22.085 1.00 0.00 H new ATOM 0 HA TYR A 68 17.119 0.634 21.490 1.00 0.00 H new ATOM 0 HB2 TYR A 68 18.505 -1.509 19.794 1.00 0.00 H new ATOM 0 HB3 TYR A 68 17.945 0.045 19.208 1.00 0.00 H new ATOM 0 HD1 TYR A 68 18.883 2.122 20.711 1.00 0.00 H new ATOM 0 HD2 TYR A 68 20.842 -1.680 20.180 1.00 0.00 H new ATOM 0 HE1 TYR A 68 21.051 3.159 21.334 1.00 0.00 H new ATOM 0 HE2 TYR A 68 23.011 -0.660 20.868 1.00 0.00 H new ATOM 0 HH TYR A 68 24.053 1.201 21.552 1.00 0.00 H new ATOM 1066 N LEU A 69 15.199 -0.278 19.975 1.00 0.00 N ATOM 1067 CA LEU A 69 13.840 -0.670 19.578 1.00 0.00 C ATOM 1068 C LEU A 69 13.850 -1.703 18.435 1.00 0.00 C ATOM 1069 O LEU A 69 14.562 -1.543 17.444 1.00 0.00 O ATOM 1070 CB LEU A 69 13.131 0.611 19.081 1.00 0.00 C ATOM 1071 CG LEU A 69 11.744 0.414 18.434 1.00 0.00 C ATOM 1072 CD1 LEU A 69 10.678 0.063 19.472 1.00 0.00 C ATOM 1073 CD2 LEU A 69 11.329 1.691 17.709 1.00 0.00 C ATOM 0 H LEU A 69 15.524 0.576 19.522 1.00 0.00 H new ATOM 0 HA LEU A 69 13.333 -1.126 20.428 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.022 1.292 19.925 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.780 1.103 18.357 1.00 0.00 H new ATOM 0 HG LEU A 69 11.823 -0.415 17.731 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.716 -0.067 18.976 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.954 -0.862 19.978 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.603 0.868 20.203 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.349 1.549 17.253 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.282 2.515 18.421 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.059 1.923 16.934 1.00 0.00 H new ATOM 1085 N HIS A 70 13.021 -2.745 18.565 1.00 0.00 N ATOM 1086 CA HIS A 70 12.788 -3.757 17.525 1.00 0.00 C ATOM 1087 C HIS A 70 11.492 -3.371 16.775 1.00 0.00 C ATOM 1088 O HIS A 70 10.401 -3.548 17.329 1.00 0.00 O ATOM 1089 CB HIS A 70 12.621 -5.145 18.174 1.00 0.00 C ATOM 1090 CG HIS A 70 13.887 -5.802 18.664 1.00 0.00 C ATOM 1091 ND1 HIS A 70 14.022 -7.137 18.985 1.00 0.00 N ATOM 1092 CD2 HIS A 70 15.129 -5.235 18.789 1.00 0.00 C ATOM 1093 CE1 HIS A 70 15.317 -7.370 19.270 1.00 0.00 C ATOM 1094 NE2 HIS A 70 16.032 -6.237 19.163 1.00 0.00 N ATOM 0 H HIS A 70 12.481 -2.913 19.414 1.00 0.00 H new ATOM 0 HA HIS A 70 13.632 -3.797 16.836 1.00 0.00 H new ATOM 0 HB2 HIS A 70 11.935 -5.050 19.016 1.00 0.00 H new ATOM 0 HB3 HIS A 70 12.148 -5.808 17.450 1.00 0.00 H new ATOM 0 HD2 HIS A 70 15.369 -4.195 18.627 1.00 0.00 H new ATOM 0 HE1 HIS A 70 15.724 -8.332 19.546 1.00 0.00 H new ATOM 0 HE2 HIS A 70 17.034 -6.129 19.323 1.00 0.00 H new ATOM 1102 N PRO A 71 11.563 -2.831 15.542 1.00 0.00 N ATOM 1103 CA PRO A 71 10.376 -2.397 14.808 1.00 0.00 C ATOM 1104 C PRO A 71 9.638 -3.548 14.089 1.00 0.00 C ATOM 1105 O PRO A 71 10.278 -4.503 13.638 1.00 0.00 O ATOM 1106 CB PRO A 71 10.913 -1.392 13.787 1.00 0.00 C ATOM 1107 CG PRO A 71 12.317 -1.905 13.472 1.00 0.00 C ATOM 1108 CD PRO A 71 12.774 -2.527 14.790 1.00 0.00 C ATOM 0 HA PRO A 71 9.635 -1.980 15.490 1.00 0.00 H new ATOM 0 HB2 PRO A 71 10.290 -1.358 12.893 1.00 0.00 H new ATOM 0 HB3 PRO A 71 10.939 -0.382 14.196 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.305 -2.638 12.665 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.978 -1.097 13.159 1.00 0.00 H new ATOM 0 HD2 PRO A 71 13.358 -3.430 14.612 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.413 -1.839 15.344 1.00 0.00 H new ATOM 1116 N PRO A 72 8.303 -3.455 13.916 1.00 0.00 N ATOM 1117 CA PRO A 72 7.519 -4.427 13.145 1.00 0.00 C ATOM 1118 C PRO A 72 7.827 -4.307 11.638 1.00 0.00 C ATOM 1119 O PRO A 72 8.355 -3.275 11.216 1.00 0.00 O ATOM 1120 CB PRO A 72 6.061 -4.081 13.450 1.00 0.00 C ATOM 1121 CG PRO A 72 6.103 -2.574 13.696 1.00 0.00 C ATOM 1122 CD PRO A 72 7.440 -2.389 14.406 1.00 0.00 C ATOM 0 HA PRO A 72 7.753 -5.457 13.414 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.405 -4.335 12.618 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.693 -4.621 14.322 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.057 -2.010 12.764 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.268 -2.240 14.312 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.866 -1.410 14.187 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.320 -2.450 15.488 1.00 0.00 H new ATOM 1130 N PRO A 73 7.494 -5.311 10.800 1.00 0.00 N ATOM 1131 CA PRO A 73 7.789 -5.327 9.359 1.00 0.00 C ATOM 1132 C PRO A 73 7.549 -4.021 8.582 1.00 0.00 C ATOM 1133 O PRO A 73 8.397 -3.633 7.775 1.00 0.00 O ATOM 1134 CB PRO A 73 6.962 -6.486 8.796 1.00 0.00 C ATOM 1135 CG PRO A 73 6.929 -7.472 9.961 1.00 0.00 C ATOM 1136 CD PRO A 73 6.853 -6.563 11.186 1.00 0.00 C ATOM 0 HA PRO A 73 8.864 -5.450 9.231 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.961 -6.166 8.508 1.00 0.00 H new ATOM 0 HB3 PRO A 73 7.425 -6.921 7.910 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.069 -8.138 9.900 1.00 0.00 H new ATOM 0 HG3 PRO A 73 7.819 -8.101 9.981 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.818 -6.395 11.484 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.361 -7.014 12.038 1.00 0.00 H new ATOM 1144 N HIS A 74 6.439 -3.309 8.827 1.00 0.00 N ATOM 1145 CA HIS A 74 6.144 -2.036 8.146 1.00 0.00 C ATOM 1146 C HIS A 74 7.134 -0.918 8.510 1.00 0.00 C ATOM 1147 O HIS A 74 7.709 -0.293 7.615 1.00 0.00 O ATOM 1148 CB HIS A 74 4.669 -1.639 8.350 1.00 0.00 C ATOM 1149 CG HIS A 74 4.225 -1.421 9.778 1.00 0.00 C ATOM 1150 ND1 HIS A 74 3.816 -2.400 10.667 1.00 0.00 N ATOM 1151 CD2 HIS A 74 4.045 -0.208 10.389 1.00 0.00 C ATOM 1152 CE1 HIS A 74 3.403 -1.794 11.797 1.00 0.00 C ATOM 1153 NE2 HIS A 74 3.545 -0.463 11.652 1.00 0.00 N ATOM 0 H HIS A 74 5.725 -3.595 9.497 1.00 0.00 H new ATOM 0 HA HIS A 74 6.289 -2.192 7.077 1.00 0.00 H new ATOM 0 HB2 HIS A 74 4.481 -0.723 7.790 1.00 0.00 H new ATOM 0 HB3 HIS A 74 4.042 -2.415 7.912 1.00 0.00 H new ATOM 0 HD2 HIS A 74 4.254 0.763 9.964 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.021 -2.294 12.675 1.00 0.00 H new ATOM 0 HE2 HIS A 74 3.321 0.240 12.357 1.00 0.00 H new ATOM 1162 N LEU A 75 7.407 -0.697 9.802 1.00 0.00 N ATOM 1163 CA LEU A 75 8.400 0.295 10.248 1.00 0.00 C ATOM 1164 C LEU A 75 9.835 -0.158 9.930 1.00 0.00 C ATOM 1165 O LEU A 75 10.671 0.670 9.583 1.00 0.00 O ATOM 1166 CB LEU A 75 8.241 0.606 11.748 1.00 0.00 C ATOM 1167 CG LEU A 75 6.927 1.297 12.162 1.00 0.00 C ATOM 1168 CD1 LEU A 75 6.979 1.675 13.643 1.00 0.00 C ATOM 1169 CD2 LEU A 75 6.644 2.572 11.363 1.00 0.00 C ATOM 0 H LEU A 75 6.950 -1.196 10.565 1.00 0.00 H new ATOM 0 HA LEU A 75 8.214 1.213 9.691 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.327 -0.328 12.303 1.00 0.00 H new ATOM 0 HB3 LEU A 75 9.073 1.238 12.057 1.00 0.00 H new ATOM 0 HG LEU A 75 6.131 0.580 11.960 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.046 2.163 13.927 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.116 0.776 14.243 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.812 2.356 13.816 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.706 3.012 11.701 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.455 3.284 11.516 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.570 2.328 10.303 1.00 0.00 H new ATOM 1181 N LYS A 76 10.113 -1.468 9.984 1.00 0.00 N ATOM 1182 CA LYS A 76 11.407 -2.076 9.626 1.00 0.00 C ATOM 1183 C LYS A 76 11.751 -1.775 8.167 1.00 0.00 C ATOM 1184 O LYS A 76 12.850 -1.311 7.866 1.00 0.00 O ATOM 1185 CB LYS A 76 11.327 -3.586 9.923 1.00 0.00 C ATOM 1186 CG LYS A 76 12.618 -4.356 9.602 1.00 0.00 C ATOM 1187 CD LYS A 76 12.629 -5.791 10.152 1.00 0.00 C ATOM 1188 CE LYS A 76 12.600 -5.816 11.687 1.00 0.00 C ATOM 1189 NZ LYS A 76 12.758 -7.188 12.208 1.00 0.00 N ATOM 0 H LYS A 76 9.424 -2.157 10.287 1.00 0.00 H new ATOM 0 HA LYS A 76 12.215 -1.651 10.221 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.085 -3.726 10.977 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.507 -4.016 9.348 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.753 -4.389 8.521 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.468 -3.811 10.013 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.768 -6.335 9.764 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.520 -6.309 9.797 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.397 -5.183 12.077 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.658 -5.397 12.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.314 -7.257 13.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.302 -7.861 11.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.770 -7.415 12.287 1.00 0.00 H new ATOM 1203 N THR A 77 10.785 -1.968 7.268 1.00 0.00 N ATOM 1204 CA THR A 77 10.930 -1.639 5.842 1.00 0.00 C ATOM 1205 C THR A 77 11.128 -0.134 5.648 1.00 0.00 C ATOM 1206 O THR A 77 12.011 0.271 4.889 1.00 0.00 O ATOM 1207 CB THR A 77 9.715 -2.121 5.030 1.00 0.00 C ATOM 1208 OG1 THR A 77 9.547 -3.516 5.177 1.00 0.00 O ATOM 1209 CG2 THR A 77 9.889 -1.854 3.535 1.00 0.00 C ATOM 0 H THR A 77 9.873 -2.359 7.506 1.00 0.00 H new ATOM 0 HA THR A 77 11.814 -2.159 5.475 1.00 0.00 H new ATOM 0 HB THR A 77 8.853 -1.572 5.410 1.00 0.00 H new ATOM 0 HG1 THR A 77 9.150 -3.707 6.052 1.00 0.00 H new ATOM 0 HG21 THR A 77 9.010 -2.209 2.997 1.00 0.00 H new ATOM 0 HG22 THR A 77 10.009 -0.784 3.368 1.00 0.00 H new ATOM 0 HG23 THR A 77 10.773 -2.379 3.172 1.00 0.00 H new ATOM 1217 N GLN A 78 10.368 0.712 6.360 1.00 0.00 N ATOM 1218 CA GLN A 78 10.529 2.166 6.264 1.00 0.00 C ATOM 1219 C GLN A 78 11.924 2.603 6.734 1.00 0.00 C ATOM 1220 O GLN A 78 12.528 3.473 6.112 1.00 0.00 O ATOM 1221 CB GLN A 78 9.412 2.882 7.043 1.00 0.00 C ATOM 1222 CG GLN A 78 9.403 4.403 6.806 1.00 0.00 C ATOM 1223 CD GLN A 78 9.176 4.777 5.338 1.00 0.00 C ATOM 1224 OE1 GLN A 78 8.160 4.453 4.736 1.00 0.00 O ATOM 1225 NE2 GLN A 78 10.103 5.456 4.696 1.00 0.00 N ATOM 0 H GLN A 78 9.638 0.412 7.006 1.00 0.00 H new ATOM 0 HA GLN A 78 10.442 2.455 5.216 1.00 0.00 H new ATOM 0 HB2 GLN A 78 8.447 2.467 6.750 1.00 0.00 H new ATOM 0 HB3 GLN A 78 9.534 2.685 8.108 1.00 0.00 H new ATOM 0 HG2 GLN A 78 8.621 4.856 7.416 1.00 0.00 H new ATOM 0 HG3 GLN A 78 10.352 4.823 7.140 1.00 0.00 H new ATOM 0 HE21 GLN A 78 10.957 5.736 5.179 1.00 0.00 H new ATOM 0 HE22 GLN A 78 9.968 5.703 3.716 1.00 0.00 H new ATOM 1234 N LEU A 79 12.462 1.983 7.789 1.00 0.00 N ATOM 1235 CA LEU A 79 13.806 2.260 8.292 1.00 0.00 C ATOM 1236 C LEU A 79 14.864 1.907 7.239 1.00 0.00 C ATOM 1237 O LEU A 79 15.746 2.717 6.970 1.00 0.00 O ATOM 1238 CB LEU A 79 14.028 1.487 9.604 1.00 0.00 C ATOM 1239 CG LEU A 79 15.175 1.974 10.512 1.00 0.00 C ATOM 1240 CD1 LEU A 79 16.572 1.881 9.903 1.00 0.00 C ATOM 1241 CD2 LEU A 79 14.937 3.411 10.964 1.00 0.00 C ATOM 0 H LEU A 79 11.969 1.267 8.322 1.00 0.00 H new ATOM 0 HA LEU A 79 13.905 3.326 8.498 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.102 1.520 10.179 1.00 0.00 H new ATOM 0 HB3 LEU A 79 14.212 0.442 9.356 1.00 0.00 H new ATOM 0 HG LEU A 79 15.157 1.284 11.356 1.00 0.00 H new ATOM 0 HD11 LEU A 79 17.307 2.247 10.620 1.00 0.00 H new ATOM 0 HD12 LEU A 79 16.793 0.843 9.656 1.00 0.00 H new ATOM 0 HD13 LEU A 79 16.615 2.487 8.998 1.00 0.00 H new ATOM 0 HD21 LEU A 79 15.759 3.732 11.603 1.00 0.00 H new ATOM 0 HD22 LEU A 79 14.880 4.062 10.092 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.001 3.467 11.520 1.00 0.00 H new ATOM 1253 N GLU A 80 14.771 0.740 6.591 1.00 0.00 N ATOM 1254 CA GLU A 80 15.729 0.371 5.536 1.00 0.00 C ATOM 1255 C GLU A 80 15.684 1.356 4.353 1.00 0.00 C ATOM 1256 O GLU A 80 16.739 1.719 3.827 1.00 0.00 O ATOM 1257 CB GLU A 80 15.517 -1.083 5.082 1.00 0.00 C ATOM 1258 CG GLU A 80 15.872 -2.124 6.160 1.00 0.00 C ATOM 1259 CD GLU A 80 17.374 -2.159 6.479 1.00 0.00 C ATOM 1260 OE1 GLU A 80 18.091 -2.981 5.860 1.00 0.00 O ATOM 1261 OE2 GLU A 80 17.813 -1.361 7.340 1.00 0.00 O ATOM 0 H GLU A 80 14.052 0.040 6.774 1.00 0.00 H new ATOM 0 HA GLU A 80 16.731 0.439 5.961 1.00 0.00 H new ATOM 0 HB2 GLU A 80 14.475 -1.215 4.790 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.123 -1.270 4.195 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.316 -1.901 7.071 1.00 0.00 H new ATOM 0 HG3 GLU A 80 15.553 -3.111 5.825 1.00 0.00 H new ATOM 1268 N ILE A 81 14.493 1.846 3.979 1.00 0.00 N ATOM 1269 CA ILE A 81 14.312 2.875 2.938 1.00 0.00 C ATOM 1270 C ILE A 81 14.923 4.213 3.399 1.00 0.00 C ATOM 1271 O ILE A 81 15.666 4.842 2.642 1.00 0.00 O ATOM 1272 CB ILE A 81 12.812 3.009 2.569 1.00 0.00 C ATOM 1273 CG1 ILE A 81 12.333 1.724 1.850 1.00 0.00 C ATOM 1274 CG2 ILE A 81 12.550 4.238 1.678 1.00 0.00 C ATOM 1275 CD1 ILE A 81 10.807 1.614 1.718 1.00 0.00 C ATOM 0 H ILE A 81 13.615 1.536 4.395 1.00 0.00 H new ATOM 0 HA ILE A 81 14.840 2.572 2.034 1.00 0.00 H new ATOM 0 HB ILE A 81 12.251 3.145 3.494 1.00 0.00 H new ATOM 0 HG12 ILE A 81 12.777 1.690 0.855 1.00 0.00 H new ATOM 0 HG13 ILE A 81 12.704 0.856 2.394 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.488 4.296 1.442 1.00 0.00 H new ATOM 0 HG22 ILE A 81 12.854 5.142 2.206 1.00 0.00 H new ATOM 0 HG23 ILE A 81 13.122 4.147 0.755 1.00 0.00 H new ATOM 0 HD11 ILE A 81 10.552 0.687 1.204 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.355 1.615 2.710 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.429 2.462 1.147 1.00 0.00 H new ATOM 1287 N ASN A 82 14.668 4.631 4.645 1.00 0.00 N ATOM 1288 CA ASN A 82 15.245 5.845 5.240 1.00 0.00 C ATOM 1289 C ASN A 82 16.781 5.753 5.258 1.00 0.00 C ATOM 1290 O ASN A 82 17.464 6.726 4.938 1.00 0.00 O ATOM 1291 CB ASN A 82 14.703 6.060 6.668 1.00 0.00 C ATOM 1292 CG ASN A 82 13.228 6.425 6.758 1.00 0.00 C ATOM 1293 OD1 ASN A 82 12.518 6.614 5.780 1.00 0.00 O ATOM 1294 ND2 ASN A 82 12.716 6.556 7.962 1.00 0.00 N ATOM 0 H ASN A 82 14.046 4.129 5.278 1.00 0.00 H new ATOM 0 HA ASN A 82 14.954 6.700 4.630 1.00 0.00 H new ATOM 0 HB2 ASN A 82 14.870 5.149 7.243 1.00 0.00 H new ATOM 0 HB3 ASN A 82 15.285 6.849 7.144 1.00 0.00 H new ATOM 0 HD21 ASN A 82 11.735 6.813 8.074 1.00 0.00 H new ATOM 0 HD22 ASN A 82 13.300 6.401 8.784 1.00 0.00 H new ATOM 1301 N GLY A 83 17.320 4.572 5.581 1.00 0.00 N ATOM 1302 CA GLY A 83 18.747 4.270 5.570 1.00 0.00 C ATOM 1303 C GLY A 83 19.331 4.452 4.174 1.00 0.00 C ATOM 1304 O GLY A 83 20.278 5.212 4.014 1.00 0.00 O ATOM 0 H GLY A 83 16.750 3.775 5.867 1.00 0.00 H new ATOM 0 HA2 GLY A 83 19.266 4.921 6.273 1.00 0.00 H new ATOM 0 HA3 GLY A 83 18.909 3.246 5.905 1.00 0.00 H new