USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 780 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 66 ASN : amide:sc= -0.348 K(o=-0.95,f=-1.8) USER MOD Set 1.2: A 67 GLN : amide:sc= -0.6 K(o=-0.95,f=-3.7!) USER MOD Single : A 18 ASN : amide:sc= -1.18 K(o=-1.2,f=-0.14) USER MOD Single : A 19 GLN : amide:sc= -0.34 K(o=-0.34,f=-2.5!) USER MOD Single : A 21 GLN : amide:sc= 0.423 X(o=0.42,f=-0.018) USER MOD Single : A 23 THR OG1 : rot 92:sc= 1.28 USER MOD Single : A 25 SER OG : rot -67:sc= 0.862 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc=-0.000579 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot -162:sc= 0.107 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot -170:sc= -2.11 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -177:sc= -0.112 (180deg=-0.121) USER MOD Single : A 44 LYS NZ :NH3+ 165:sc= -0.679 (180deg=-1.05) USER MOD Single : A 45 LYS NZ :NH3+ -172:sc= 0.0119 (180deg=-0.0249) USER MOD Single : A 48 HIS : no HD1:sc= -0.743 K(o=-0.74,f=-0.092) USER MOD Single : A 50 MET CE :methyl -174:sc= -0.163 (180deg=-0.263) USER MOD Single : A 51 ASN : amide:sc= -0.928 K(o=-0.93,f=-4.7!) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.369 K(o=-0.37,f=-3.9!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -171:sc= 0.062 (180deg=0.0544) USER MOD Single : A 75 MET CE :methyl 166:sc= -1.15 (180deg=-1.5) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.452 USER MOD Single : A 80 THR OG1 : rot 27:sc= 0.684 USER MOD Single : A 87 ASN : amide:sc= -0.0484 K(o=-0.048,f=1) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 70:sc= 1.11 USER MOD Single : A 98 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-3.1) USER MOD Single : A 101 HIS : no HD1:sc= -6.42! C(o=-6.4!,f=-6.6!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= -5.18! C(o=-5.2!,f=-4.5!) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 168 N ALA A 15 16.193 -6.306 -1.044 1.00 0.00 N ATOM 169 CA ALA A 15 15.926 -4.894 -1.289 1.00 0.00 C ATOM 170 C ALA A 15 14.717 -4.417 -0.491 1.00 0.00 C ATOM 171 O ALA A 15 13.939 -5.212 0.038 1.00 0.00 O ATOM 172 CB ALA A 15 15.709 -4.647 -2.775 1.00 0.00 C ATOM 0 HA ALA A 15 16.795 -4.324 -0.960 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.511 -3.588 -2.943 1.00 0.00 H new ATOM 0 HB2 ALA A 15 16.602 -4.941 -3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.859 -5.235 -3.121 1.00 0.00 H new ATOM 178 N PRO A 16 14.554 -3.089 -0.398 1.00 0.00 N ATOM 179 CA PRO A 16 13.442 -2.477 0.335 1.00 0.00 C ATOM 180 C PRO A 16 12.102 -2.692 -0.360 1.00 0.00 C ATOM 181 O PRO A 16 11.095 -2.980 0.287 1.00 0.00 O ATOM 182 CB PRO A 16 13.804 -0.990 0.351 1.00 0.00 C ATOM 183 CG PRO A 16 14.676 -0.799 -0.841 1.00 0.00 C ATOM 184 CD PRO A 16 15.443 -2.082 -1.003 1.00 0.00 C ATOM 0 HA PRO A 16 13.320 -2.911 1.328 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.913 -0.365 0.294 1.00 0.00 H new ATOM 0 HB3 PRO A 16 14.325 -0.719 1.270 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.081 -0.585 -1.729 1.00 0.00 H new ATOM 0 HG3 PRO A 16 15.352 0.044 -0.699 1.00 0.00 H new ATOM 0 HD2 PRO A 16 15.643 -2.301 -2.052 1.00 0.00 H new ATOM 0 HD3 PRO A 16 16.407 -2.041 -0.496 1.00 0.00 H new ATOM 192 N VAL A 17 12.096 -2.549 -1.682 1.00 0.00 N ATOM 193 CA VAL A 17 10.879 -2.729 -2.465 1.00 0.00 C ATOM 194 C VAL A 17 10.221 -4.069 -2.157 1.00 0.00 C ATOM 195 O VAL A 17 9.002 -4.156 -2.018 1.00 0.00 O ATOM 196 CB VAL A 17 11.167 -2.646 -3.976 1.00 0.00 C ATOM 197 CG1 VAL A 17 12.067 -3.792 -4.412 1.00 0.00 C ATOM 198 CG2 VAL A 17 9.867 -2.647 -4.766 1.00 0.00 C ATOM 0 H VAL A 17 12.920 -2.309 -2.233 1.00 0.00 H new ATOM 0 HA VAL A 17 10.201 -1.922 -2.187 1.00 0.00 H new ATOM 0 HB VAL A 17 11.688 -1.710 -4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 17 12.259 -3.717 -5.482 1.00 0.00 H new ATOM 0 HG12 VAL A 17 13.011 -3.740 -3.869 1.00 0.00 H new ATOM 0 HG13 VAL A 17 11.577 -4.742 -4.198 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.089 -2.588 -5.832 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.317 -3.565 -4.560 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.263 -1.789 -4.473 1.00 0.00 H new ATOM 208 N ASN A 18 11.037 -5.113 -2.051 1.00 0.00 N ATOM 209 CA ASN A 18 10.534 -6.450 -1.760 1.00 0.00 C ATOM 210 C ASN A 18 9.684 -6.448 -0.493 1.00 0.00 C ATOM 211 O ASN A 18 8.620 -7.064 -0.447 1.00 0.00 O ATOM 212 CB ASN A 18 11.697 -7.433 -1.605 1.00 0.00 C ATOM 213 CG ASN A 18 12.338 -7.784 -2.934 1.00 0.00 C ATOM 214 OD1 ASN A 18 11.746 -8.486 -3.754 1.00 0.00 O ATOM 215 ND2 ASN A 18 13.554 -7.297 -3.151 1.00 0.00 N ATOM 0 H ASN A 18 12.049 -5.058 -2.162 1.00 0.00 H new ATOM 0 HA ASN A 18 9.909 -6.765 -2.595 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.449 -7.001 -0.945 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.338 -8.344 -1.126 1.00 0.00 H new ATOM 0 HD21 ASN A 18 14.036 -7.500 -4.027 1.00 0.00 H new ATOM 0 HD22 ASN A 18 14.006 -6.719 -2.442 1.00 0.00 H new ATOM 222 N GLN A 19 10.161 -5.749 0.532 1.00 0.00 N ATOM 223 CA GLN A 19 9.445 -5.666 1.799 1.00 0.00 C ATOM 224 C GLN A 19 8.059 -5.060 1.603 1.00 0.00 C ATOM 225 O GLN A 19 7.103 -5.441 2.278 1.00 0.00 O ATOM 226 CB GLN A 19 10.241 -4.833 2.806 1.00 0.00 C ATOM 227 CG GLN A 19 11.582 -5.446 3.176 1.00 0.00 C ATOM 228 CD GLN A 19 12.180 -4.829 4.426 1.00 0.00 C ATOM 229 OE1 GLN A 19 11.468 -4.254 5.249 1.00 0.00 O ATOM 230 NE2 GLN A 19 13.494 -4.947 4.573 1.00 0.00 N ATOM 0 H GLN A 19 11.040 -5.232 0.510 1.00 0.00 H new ATOM 0 HA GLN A 19 9.328 -6.678 2.187 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.407 -3.839 2.392 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.647 -4.706 3.711 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.458 -6.518 3.328 1.00 0.00 H new ATOM 0 HG3 GLN A 19 12.276 -5.320 2.345 1.00 0.00 H new ATOM 0 HE21 GLN A 19 14.045 -5.432 3.865 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.953 -4.552 5.394 1.00 0.00 H new ATOM 239 N ILE A 20 7.959 -4.113 0.675 1.00 0.00 N ATOM 240 CA ILE A 20 6.690 -3.455 0.390 1.00 0.00 C ATOM 241 C ILE A 20 5.782 -4.351 -0.445 1.00 0.00 C ATOM 242 O ILE A 20 4.594 -4.488 -0.156 1.00 0.00 O ATOM 243 CB ILE A 20 6.902 -2.123 -0.353 1.00 0.00 C ATOM 244 CG1 ILE A 20 7.735 -1.164 0.501 1.00 0.00 C ATOM 245 CG2 ILE A 20 5.562 -1.496 -0.708 1.00 0.00 C ATOM 246 CD1 ILE A 20 8.485 -0.130 -0.309 1.00 0.00 C ATOM 0 H ILE A 20 8.741 -3.785 0.108 1.00 0.00 H new ATOM 0 HA ILE A 20 6.215 -3.255 1.350 1.00 0.00 H new ATOM 0 HB ILE A 20 7.445 -2.322 -1.277 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.078 -0.655 1.206 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.449 -1.741 1.089 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.728 -0.555 -1.233 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.001 -2.175 -1.350 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.995 -1.308 0.204 1.00 0.00 H new ATOM 0 HD11 ILE A 20 9.053 0.515 0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.167 -0.631 -0.996 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.776 0.472 -0.877 1.00 0.00 H new ATOM 258 N GLN A 21 6.350 -4.960 -1.481 1.00 0.00 N ATOM 259 CA GLN A 21 5.591 -5.844 -2.357 1.00 0.00 C ATOM 260 C GLN A 21 4.953 -6.980 -1.564 1.00 0.00 C ATOM 261 O GLN A 21 3.847 -7.421 -1.875 1.00 0.00 O ATOM 262 CB GLN A 21 6.497 -6.415 -3.450 1.00 0.00 C ATOM 263 CG GLN A 21 7.179 -5.349 -4.293 1.00 0.00 C ATOM 264 CD GLN A 21 7.478 -5.823 -5.702 1.00 0.00 C ATOM 265 OE1 GLN A 21 7.972 -6.932 -5.904 1.00 0.00 O ATOM 266 NE2 GLN A 21 7.180 -4.981 -6.685 1.00 0.00 N ATOM 0 H GLN A 21 7.333 -4.857 -1.734 1.00 0.00 H new ATOM 0 HA GLN A 21 4.797 -5.259 -2.822 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.258 -7.043 -2.988 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.905 -7.058 -4.101 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.543 -4.465 -4.338 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.109 -5.049 -3.810 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.771 -4.071 -6.471 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.360 -5.244 -7.654 1.00 0.00 H new ATOM 275 N GLU A 22 5.659 -7.450 -0.540 1.00 0.00 N ATOM 276 CA GLU A 22 5.161 -8.535 0.296 1.00 0.00 C ATOM 277 C GLU A 22 4.125 -8.024 1.292 1.00 0.00 C ATOM 278 O GLU A 22 3.190 -8.738 1.656 1.00 0.00 O ATOM 279 CB GLU A 22 6.316 -9.205 1.043 1.00 0.00 C ATOM 280 CG GLU A 22 7.013 -8.287 2.033 1.00 0.00 C ATOM 281 CD GLU A 22 8.100 -8.995 2.819 1.00 0.00 C ATOM 282 OE1 GLU A 22 9.064 -9.483 2.193 1.00 0.00 O ATOM 283 OE2 GLU A 22 7.986 -9.060 4.061 1.00 0.00 O ATOM 0 H GLU A 22 6.577 -7.096 -0.270 1.00 0.00 H new ATOM 0 HA GLU A 22 4.684 -9.269 -0.353 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.936 -10.078 1.574 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.046 -9.566 0.318 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.448 -7.444 1.497 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.276 -7.879 2.725 1.00 0.00 H new ATOM 290 N THR A 23 4.298 -6.781 1.731 1.00 0.00 N ATOM 291 CA THR A 23 3.380 -6.173 2.686 1.00 0.00 C ATOM 292 C THR A 23 1.997 -5.982 2.075 1.00 0.00 C ATOM 293 O THR A 23 0.981 -6.234 2.725 1.00 0.00 O ATOM 294 CB THR A 23 3.903 -4.810 3.178 1.00 0.00 C ATOM 295 OG1 THR A 23 5.137 -4.984 3.884 1.00 0.00 O ATOM 296 CG2 THR A 23 2.886 -4.135 4.085 1.00 0.00 C ATOM 0 H THR A 23 5.066 -6.176 1.440 1.00 0.00 H new ATOM 0 HA THR A 23 3.309 -6.855 3.533 1.00 0.00 H new ATOM 0 HB THR A 23 4.069 -4.175 2.308 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.887 -4.886 3.261 1.00 0.00 H new ATOM 0 HG21 THR A 23 3.278 -3.174 4.420 1.00 0.00 H new ATOM 0 HG22 THR A 23 1.958 -3.977 3.536 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.693 -4.769 4.950 1.00 0.00 H new ATOM 304 N ILE A 24 1.964 -5.537 0.824 1.00 0.00 N ATOM 305 CA ILE A 24 0.704 -5.316 0.125 1.00 0.00 C ATOM 306 C ILE A 24 -0.031 -6.630 -0.113 1.00 0.00 C ATOM 307 O ILE A 24 -1.259 -6.688 -0.042 1.00 0.00 O ATOM 308 CB ILE A 24 0.926 -4.613 -1.227 1.00 0.00 C ATOM 309 CG1 ILE A 24 1.945 -5.385 -2.067 1.00 0.00 C ATOM 310 CG2 ILE A 24 1.389 -3.180 -1.009 1.00 0.00 C ATOM 311 CD1 ILE A 24 2.056 -4.887 -3.491 1.00 0.00 C ATOM 0 H ILE A 24 2.795 -5.322 0.273 1.00 0.00 H new ATOM 0 HA ILE A 24 0.098 -4.674 0.764 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.020 -4.591 -1.768 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.923 -5.317 -1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.669 -6.439 -2.080 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.542 -2.696 -1.974 1.00 0.00 H new ATOM 0 HG22 ILE A 24 0.632 -2.635 -0.445 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.326 -3.181 -0.451 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.797 -5.480 -4.027 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.089 -4.980 -3.985 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.362 -3.841 -3.488 1.00 0.00 H new ATOM 323 N SER A 25 0.728 -7.685 -0.393 1.00 0.00 N ATOM 324 CA SER A 25 0.149 -8.999 -0.643 1.00 0.00 C ATOM 325 C SER A 25 -0.612 -9.499 0.581 1.00 0.00 C ATOM 326 O SER A 25 -1.761 -9.930 0.478 1.00 0.00 O ATOM 327 CB SER A 25 1.243 -9.999 -1.021 1.00 0.00 C ATOM 328 OG SER A 25 1.839 -10.564 0.134 1.00 0.00 O ATOM 0 H SER A 25 1.746 -7.655 -0.452 1.00 0.00 H new ATOM 0 HA SER A 25 -0.552 -8.908 -1.473 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.819 -10.790 -1.639 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.005 -9.500 -1.620 1.00 0.00 H new ATOM 0 HG SER A 25 2.334 -9.871 0.619 1.00 0.00 H new ATOM 334 N ASP A 26 0.037 -9.440 1.738 1.00 0.00 N ATOM 335 CA ASP A 26 -0.578 -9.885 2.984 1.00 0.00 C ATOM 336 C ASP A 26 -1.710 -8.950 3.396 1.00 0.00 C ATOM 337 O ASP A 26 -2.863 -9.365 3.506 1.00 0.00 O ATOM 338 CB ASP A 26 0.470 -9.960 4.096 1.00 0.00 C ATOM 339 CG ASP A 26 0.079 -10.929 5.195 1.00 0.00 C ATOM 340 OD1 ASP A 26 -0.425 -12.024 4.869 1.00 0.00 O ATOM 341 OD2 ASP A 26 0.279 -10.592 6.380 1.00 0.00 O ATOM 0 H ASP A 26 0.989 -9.088 1.840 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.995 -10.879 2.820 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.426 -10.264 3.670 1.00 0.00 H new ATOM 0 HB3 ASP A 26 0.613 -8.968 4.524 1.00 0.00 H new ATOM 346 N ASN A 27 -1.372 -7.685 3.624 1.00 0.00 N ATOM 347 CA ASN A 27 -2.360 -6.691 4.027 1.00 0.00 C ATOM 348 C ASN A 27 -3.357 -6.428 2.902 1.00 0.00 C ATOM 349 O ASN A 27 -3.046 -6.616 1.725 1.00 0.00 O ATOM 350 CB ASN A 27 -1.668 -5.385 4.425 1.00 0.00 C ATOM 351 CG ASN A 27 -1.095 -5.440 5.828 1.00 0.00 C ATOM 352 OD1 ASN A 27 -1.729 -5.000 6.787 1.00 0.00 O ATOM 353 ND2 ASN A 27 0.111 -5.982 5.953 1.00 0.00 N ATOM 0 H ASN A 27 -0.422 -7.324 3.537 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.903 -7.083 4.887 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.868 -5.170 3.717 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.382 -4.564 4.359 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.548 -6.046 6.872 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.600 -6.334 5.130 1.00 0.00 H new ATOM 360 N CYS A 28 -4.557 -5.992 3.271 1.00 0.00 N ATOM 361 CA CYS A 28 -5.600 -5.703 2.295 1.00 0.00 C ATOM 362 C CYS A 28 -5.398 -4.323 1.675 1.00 0.00 C ATOM 363 O CYS A 28 -5.520 -4.152 0.462 1.00 0.00 O ATOM 364 CB CYS A 28 -6.979 -5.781 2.952 1.00 0.00 C ATOM 365 SG CYS A 28 -7.269 -7.315 3.891 1.00 0.00 S ATOM 0 H CYS A 28 -4.831 -5.831 4.240 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.539 -6.450 1.504 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.099 -4.929 3.622 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -7.743 -5.690 2.180 1.00 0.00 H new ATOM 370 N VAL A 29 -5.087 -3.342 2.516 1.00 0.00 N ATOM 371 CA VAL A 29 -4.866 -1.978 2.052 1.00 0.00 C ATOM 372 C VAL A 29 -3.673 -1.344 2.757 1.00 0.00 C ATOM 373 O VAL A 29 -3.617 -1.297 3.986 1.00 0.00 O ATOM 374 CB VAL A 29 -6.110 -1.099 2.279 1.00 0.00 C ATOM 375 CG1 VAL A 29 -5.847 0.327 1.822 1.00 0.00 C ATOM 376 CG2 VAL A 29 -7.315 -1.686 1.560 1.00 0.00 C ATOM 0 H VAL A 29 -4.982 -3.467 3.523 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.663 -2.037 0.983 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.329 -1.077 3.347 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.737 0.933 1.990 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.013 0.742 2.388 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.602 0.329 0.760 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.185 -1.052 1.731 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.110 -1.740 0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.515 -2.687 1.942 1.00 0.00 H new ATOM 386 N VAL A 30 -2.718 -0.855 1.971 1.00 0.00 N ATOM 387 CA VAL A 30 -1.525 -0.222 2.521 1.00 0.00 C ATOM 388 C VAL A 30 -1.421 1.232 2.074 1.00 0.00 C ATOM 389 O VAL A 30 -1.403 1.525 0.878 1.00 0.00 O ATOM 390 CB VAL A 30 -0.247 -0.970 2.099 1.00 0.00 C ATOM 391 CG1 VAL A 30 0.982 -0.312 2.706 1.00 0.00 C ATOM 392 CG2 VAL A 30 -0.331 -2.435 2.501 1.00 0.00 C ATOM 0 H VAL A 30 -2.748 -0.885 0.952 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.617 -0.261 3.606 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.158 -0.919 1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.875 -0.854 2.397 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.048 0.721 2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.905 -0.330 3.793 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.580 -2.949 2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.444 -2.510 3.583 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.189 -2.897 2.014 1.00 0.00 H new ATOM 402 N ILE A 31 -1.351 2.139 3.043 1.00 0.00 N ATOM 403 CA ILE A 31 -1.246 3.563 2.749 1.00 0.00 C ATOM 404 C ILE A 31 0.108 4.115 3.182 1.00 0.00 C ATOM 405 O ILE A 31 0.420 4.164 4.372 1.00 0.00 O ATOM 406 CB ILE A 31 -2.361 4.365 3.446 1.00 0.00 C ATOM 407 CG1 ILE A 31 -3.724 3.723 3.179 1.00 0.00 C ATOM 408 CG2 ILE A 31 -2.349 5.811 2.972 1.00 0.00 C ATOM 409 CD1 ILE A 31 -4.793 4.144 4.163 1.00 0.00 C ATOM 0 H ILE A 31 -1.365 1.913 4.038 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.352 3.671 1.670 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.179 4.354 4.521 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.047 3.982 2.171 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.618 2.639 3.211 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.143 6.365 3.473 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.386 6.263 3.208 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.510 5.842 1.894 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.732 3.651 3.913 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.491 3.861 5.171 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.927 5.225 4.115 1.00 0.00 H new ATOM 421 N PHE A 32 0.909 4.533 2.207 1.00 0.00 N ATOM 422 CA PHE A 32 2.231 5.083 2.486 1.00 0.00 C ATOM 423 C PHE A 32 2.199 6.608 2.471 1.00 0.00 C ATOM 424 O PHE A 32 2.024 7.226 1.421 1.00 0.00 O ATOM 425 CB PHE A 32 3.246 4.572 1.462 1.00 0.00 C ATOM 426 CG PHE A 32 3.608 3.126 1.646 1.00 0.00 C ATOM 427 CD1 PHE A 32 4.396 2.726 2.713 1.00 0.00 C ATOM 428 CD2 PHE A 32 3.161 2.167 0.751 1.00 0.00 C ATOM 429 CE1 PHE A 32 4.730 1.396 2.885 1.00 0.00 C ATOM 430 CE2 PHE A 32 3.492 0.836 0.919 1.00 0.00 C ATOM 431 CZ PHE A 32 4.278 0.450 1.986 1.00 0.00 C ATOM 0 H PHE A 32 0.666 4.501 1.217 1.00 0.00 H new ATOM 0 HA PHE A 32 2.532 4.753 3.480 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.841 4.712 0.460 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.151 5.176 1.527 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.753 3.462 3.418 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.547 2.463 -0.087 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.344 1.097 3.722 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.136 0.098 0.216 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.539 -0.590 2.118 1.00 0.00 H new ATOM 441 N SER A 33 2.369 7.210 3.644 1.00 0.00 N ATOM 442 CA SER A 33 2.355 8.663 3.767 1.00 0.00 C ATOM 443 C SER A 33 3.728 9.186 4.180 1.00 0.00 C ATOM 444 O SER A 33 4.601 8.419 4.588 1.00 0.00 O ATOM 445 CB SER A 33 1.302 9.099 4.788 1.00 0.00 C ATOM 446 OG SER A 33 1.703 8.770 6.107 1.00 0.00 O ATOM 0 H SER A 33 2.518 6.714 4.523 1.00 0.00 H new ATOM 0 HA SER A 33 2.103 9.084 2.794 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.140 10.174 4.711 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.351 8.617 4.563 1.00 0.00 H new ATOM 0 HG SER A 33 1.014 9.061 6.740 1.00 0.00 H new ATOM 452 N LYS A 34 3.911 10.497 4.072 1.00 0.00 N ATOM 453 CA LYS A 34 5.176 11.126 4.434 1.00 0.00 C ATOM 454 C LYS A 34 4.940 12.386 5.261 1.00 0.00 C ATOM 455 O LYS A 34 5.665 13.372 5.130 1.00 0.00 O ATOM 456 CB LYS A 34 5.976 11.471 3.176 1.00 0.00 C ATOM 457 CG LYS A 34 5.434 12.672 2.421 1.00 0.00 C ATOM 458 CD LYS A 34 5.811 12.623 0.950 1.00 0.00 C ATOM 459 CE LYS A 34 7.316 12.726 0.757 1.00 0.00 C ATOM 460 NZ LYS A 34 7.668 13.271 -0.584 1.00 0.00 N ATOM 0 H LYS A 34 3.199 11.146 3.736 1.00 0.00 H new ATOM 0 HA LYS A 34 5.746 10.419 5.037 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.011 11.665 3.456 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.982 10.607 2.511 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.349 12.705 2.518 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.822 13.588 2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.450 11.693 0.511 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.318 13.438 0.420 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.738 13.366 1.531 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.766 11.741 0.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.702 13.325 -0.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.287 12.647 -1.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.261 14.222 -0.690 1.00 0.00 H new ATOM 474 N THR A 35 3.921 12.346 6.114 1.00 0.00 N ATOM 475 CA THR A 35 3.590 13.484 6.963 1.00 0.00 C ATOM 476 C THR A 35 4.008 14.796 6.310 1.00 0.00 C ATOM 477 O THR A 35 4.636 15.644 6.944 1.00 0.00 O ATOM 478 CB THR A 35 4.266 13.371 8.342 1.00 0.00 C ATOM 479 OG1 THR A 35 5.690 13.343 8.189 1.00 0.00 O ATOM 480 CG2 THR A 35 3.804 12.118 9.071 1.00 0.00 C ATOM 0 H THR A 35 3.311 11.538 6.235 1.00 0.00 H new ATOM 0 HA THR A 35 2.508 13.476 7.096 1.00 0.00 H new ATOM 0 HB THR A 35 3.982 14.241 8.934 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.112 13.273 9.070 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.295 12.060 10.042 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.724 12.157 9.212 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.062 11.238 8.481 1.00 0.00 H new ATOM 488 N SER A 36 3.655 14.959 5.039 1.00 0.00 N ATOM 489 CA SER A 36 3.996 16.168 4.299 1.00 0.00 C ATOM 490 C SER A 36 2.798 16.673 3.501 1.00 0.00 C ATOM 491 O SER A 36 2.511 17.871 3.483 1.00 0.00 O ATOM 492 CB SER A 36 5.173 15.901 3.359 1.00 0.00 C ATOM 493 OG SER A 36 5.717 17.113 2.865 1.00 0.00 O ATOM 0 H SER A 36 3.133 14.268 4.500 1.00 0.00 H new ATOM 0 HA SER A 36 4.281 16.936 5.018 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.945 15.341 3.887 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.843 15.280 2.526 1.00 0.00 H new ATOM 0 HG SER A 36 6.469 16.915 2.268 1.00 0.00 H new ATOM 499 N CYS A 37 2.102 15.752 2.844 1.00 0.00 N ATOM 500 CA CYS A 37 0.935 16.103 2.043 1.00 0.00 C ATOM 501 C CYS A 37 -0.340 16.030 2.878 1.00 0.00 C ATOM 502 O CYS A 37 -0.621 15.012 3.512 1.00 0.00 O ATOM 503 CB CYS A 37 0.821 15.173 0.834 1.00 0.00 C ATOM 504 SG CYS A 37 -0.140 15.858 -0.536 1.00 0.00 S ATOM 0 H CYS A 37 2.325 14.757 2.850 1.00 0.00 H new ATOM 0 HA CYS A 37 1.061 17.128 1.693 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.823 14.934 0.477 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.364 14.236 1.152 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.503 14.898 -1.334 1.00 0.00 H new ATOM 510 N SER A 38 -1.106 17.116 2.876 1.00 0.00 N ATOM 511 CA SER A 38 -2.348 17.176 3.638 1.00 0.00 C ATOM 512 C SER A 38 -3.153 15.892 3.468 1.00 0.00 C ATOM 513 O SER A 38 -3.548 15.259 4.447 1.00 0.00 O ATOM 514 CB SER A 38 -3.185 18.378 3.194 1.00 0.00 C ATOM 515 OG SER A 38 -2.544 19.597 3.530 1.00 0.00 O ATOM 0 H SER A 38 -0.889 17.966 2.356 1.00 0.00 H new ATOM 0 HA SER A 38 -2.094 17.288 4.692 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.348 18.334 2.117 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.166 18.337 3.667 1.00 0.00 H new ATOM 0 HG SER A 38 -3.097 20.350 3.235 1.00 0.00 H new ATOM 521 N TYR A 39 -3.392 15.512 2.217 1.00 0.00 N ATOM 522 CA TYR A 39 -4.152 14.304 1.917 1.00 0.00 C ATOM 523 C TYR A 39 -3.749 13.162 2.845 1.00 0.00 C ATOM 524 O TYR A 39 -4.588 12.369 3.272 1.00 0.00 O ATOM 525 CB TYR A 39 -3.939 13.892 0.460 1.00 0.00 C ATOM 526 CG TYR A 39 -4.475 14.894 -0.537 1.00 0.00 C ATOM 527 CD1 TYR A 39 -5.747 15.433 -0.396 1.00 0.00 C ATOM 528 CD2 TYR A 39 -3.707 15.303 -1.621 1.00 0.00 C ATOM 529 CE1 TYR A 39 -6.241 16.348 -1.306 1.00 0.00 C ATOM 530 CE2 TYR A 39 -4.191 16.219 -2.535 1.00 0.00 C ATOM 531 CZ TYR A 39 -5.459 16.738 -2.373 1.00 0.00 C ATOM 532 OH TYR A 39 -5.946 17.651 -3.280 1.00 0.00 O ATOM 0 H TYR A 39 -3.070 16.023 1.395 1.00 0.00 H new ATOM 0 HA TYR A 39 -5.208 14.521 2.076 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.873 13.751 0.283 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -4.420 12.929 0.289 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -6.361 15.132 0.440 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.714 14.898 -1.751 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -7.234 16.755 -1.182 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -3.581 16.527 -3.371 1.00 0.00 H new ATOM 0 HH TYR A 39 -5.271 17.819 -3.970 1.00 0.00 H new ATOM 542 N CYS A 40 -2.459 13.087 3.153 1.00 0.00 N ATOM 543 CA CYS A 40 -1.942 12.042 4.030 1.00 0.00 C ATOM 544 C CYS A 40 -2.940 11.720 5.138 1.00 0.00 C ATOM 545 O CYS A 40 -3.021 10.582 5.604 1.00 0.00 O ATOM 546 CB CYS A 40 -0.607 12.473 4.639 1.00 0.00 C ATOM 547 SG CYS A 40 0.759 12.532 3.457 1.00 0.00 S ATOM 0 H CYS A 40 -1.752 13.737 2.809 1.00 0.00 H new ATOM 0 HA CYS A 40 -1.787 11.144 3.433 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.727 13.459 5.089 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.348 11.785 5.443 1.00 0.00 H new ATOM 0 HG CYS A 40 1.879 12.700 4.096 1.00 0.00 H new ATOM 553 N THR A 41 -3.697 12.728 5.557 1.00 0.00 N ATOM 554 CA THR A 41 -4.688 12.553 6.612 1.00 0.00 C ATOM 555 C THR A 41 -6.018 12.073 6.043 1.00 0.00 C ATOM 556 O THR A 41 -6.685 11.224 6.633 1.00 0.00 O ATOM 557 CB THR A 41 -4.918 13.863 7.389 1.00 0.00 C ATOM 558 OG1 THR A 41 -5.494 13.578 8.669 1.00 0.00 O ATOM 559 CG2 THR A 41 -5.832 14.800 6.613 1.00 0.00 C ATOM 0 H THR A 41 -3.643 13.675 5.182 1.00 0.00 H new ATOM 0 HA THR A 41 -4.294 11.799 7.294 1.00 0.00 H new ATOM 0 HB THR A 41 -3.954 14.353 7.525 1.00 0.00 H new ATOM 0 HG1 THR A 41 -5.636 14.416 9.158 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.980 15.718 7.182 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.377 15.038 5.651 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.795 14.316 6.449 1.00 0.00 H new ATOM 567 N MET A 42 -6.397 12.621 4.893 1.00 0.00 N ATOM 568 CA MET A 42 -7.648 12.246 4.244 1.00 0.00 C ATOM 569 C MET A 42 -7.746 10.732 4.086 1.00 0.00 C ATOM 570 O MET A 42 -8.797 10.140 4.330 1.00 0.00 O ATOM 571 CB MET A 42 -7.759 12.922 2.876 1.00 0.00 C ATOM 572 CG MET A 42 -7.251 12.061 1.730 1.00 0.00 C ATOM 573 SD MET A 42 -7.521 12.822 0.118 1.00 0.00 S ATOM 574 CE MET A 42 -9.281 12.562 -0.089 1.00 0.00 C ATOM 0 H MET A 42 -5.856 13.326 4.392 1.00 0.00 H new ATOM 0 HA MET A 42 -8.471 12.581 4.875 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.802 13.181 2.691 1.00 0.00 H new ATOM 0 HB3 MET A 42 -7.197 13.856 2.895 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.186 11.874 1.865 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.751 11.093 1.759 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.591 12.932 -1.066 1.00 0.00 H new ATOM 0 HE2 MET A 42 -9.502 11.497 -0.017 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.822 13.099 0.690 1.00 0.00 H new ATOM 584 N ALA A 43 -6.644 10.112 3.677 1.00 0.00 N ATOM 585 CA ALA A 43 -6.606 8.667 3.488 1.00 0.00 C ATOM 586 C ALA A 43 -6.973 7.936 4.775 1.00 0.00 C ATOM 587 O ALA A 43 -7.846 7.068 4.781 1.00 0.00 O ATOM 588 CB ALA A 43 -5.229 8.233 3.007 1.00 0.00 C ATOM 0 H ALA A 43 -5.766 10.588 3.470 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.343 8.405 2.729 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.215 7.152 2.870 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.004 8.722 2.059 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.480 8.514 3.747 1.00 0.00 H new ATOM 594 N LYS A 44 -6.301 8.291 5.865 1.00 0.00 N ATOM 595 CA LYS A 44 -6.556 7.670 7.159 1.00 0.00 C ATOM 596 C LYS A 44 -8.002 7.888 7.592 1.00 0.00 C ATOM 597 O LYS A 44 -8.722 6.936 7.892 1.00 0.00 O ATOM 598 CB LYS A 44 -5.605 8.236 8.216 1.00 0.00 C ATOM 599 CG LYS A 44 -4.144 8.196 7.803 1.00 0.00 C ATOM 600 CD LYS A 44 -3.321 9.220 8.566 1.00 0.00 C ATOM 601 CE LYS A 44 -1.835 8.901 8.502 1.00 0.00 C ATOM 602 NZ LYS A 44 -1.408 8.024 9.628 1.00 0.00 N ATOM 0 H LYS A 44 -5.574 9.007 5.878 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.383 6.598 7.060 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.885 9.267 8.430 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.728 7.674 9.142 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.742 7.199 7.981 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.062 8.386 6.733 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.499 10.213 8.152 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.644 9.246 9.607 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.609 8.412 7.555 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.263 9.828 8.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.471 7.624 9.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.360 8.583 10.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.095 7.253 9.747 1.00 0.00 H new ATOM 616 N LYS A 45 -8.422 9.149 7.620 1.00 0.00 N ATOM 617 CA LYS A 45 -9.784 9.493 8.013 1.00 0.00 C ATOM 618 C LYS A 45 -10.802 8.726 7.175 1.00 0.00 C ATOM 619 O LYS A 45 -11.766 8.172 7.706 1.00 0.00 O ATOM 620 CB LYS A 45 -10.014 10.998 7.863 1.00 0.00 C ATOM 621 CG LYS A 45 -11.147 11.529 8.724 1.00 0.00 C ATOM 622 CD LYS A 45 -11.261 13.041 8.627 1.00 0.00 C ATOM 623 CE LYS A 45 -12.547 13.545 9.263 1.00 0.00 C ATOM 624 NZ LYS A 45 -13.733 13.278 8.403 1.00 0.00 N ATOM 0 H LYS A 45 -7.839 9.949 7.375 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.916 9.214 9.058 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -9.095 11.525 8.121 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.227 11.222 6.818 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.086 11.072 8.413 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.981 11.242 9.762 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.405 13.504 9.119 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.229 13.343 7.580 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.685 13.065 10.232 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.466 14.616 9.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.567 13.753 8.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -13.555 13.640 7.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.906 12.253 8.359 1.00 0.00 H new ATOM 638 N LEU A 46 -10.583 8.697 5.866 1.00 0.00 N ATOM 639 CA LEU A 46 -11.481 7.996 4.955 1.00 0.00 C ATOM 640 C LEU A 46 -11.789 6.593 5.466 1.00 0.00 C ATOM 641 O LEU A 46 -12.898 6.317 5.924 1.00 0.00 O ATOM 642 CB LEU A 46 -10.863 7.918 3.557 1.00 0.00 C ATOM 643 CG LEU A 46 -11.538 6.957 2.578 1.00 0.00 C ATOM 644 CD1 LEU A 46 -12.740 7.618 1.923 1.00 0.00 C ATOM 645 CD2 LEU A 46 -10.546 6.486 1.525 1.00 0.00 C ATOM 0 H LEU A 46 -9.791 9.151 5.411 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.414 8.556 4.902 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.874 8.917 3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.818 7.626 3.659 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.887 6.087 3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.207 6.918 1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -13.460 7.905 2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.416 8.506 1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.043 5.803 0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.166 7.345 0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.717 5.972 2.011 1.00 0.00 H new ATOM 657 N PHE A 47 -10.799 5.709 5.387 1.00 0.00 N ATOM 658 CA PHE A 47 -10.964 4.334 5.843 1.00 0.00 C ATOM 659 C PHE A 47 -11.444 4.295 7.291 1.00 0.00 C ATOM 660 O PHE A 47 -12.406 3.600 7.619 1.00 0.00 O ATOM 661 CB PHE A 47 -9.645 3.569 5.710 1.00 0.00 C ATOM 662 CG PHE A 47 -9.283 3.242 4.290 1.00 0.00 C ATOM 663 CD1 PHE A 47 -9.730 2.071 3.699 1.00 0.00 C ATOM 664 CD2 PHE A 47 -8.494 4.105 3.546 1.00 0.00 C ATOM 665 CE1 PHE A 47 -9.398 1.767 2.392 1.00 0.00 C ATOM 666 CE2 PHE A 47 -8.160 3.807 2.238 1.00 0.00 C ATOM 667 CZ PHE A 47 -8.611 2.636 1.661 1.00 0.00 C ATOM 0 H PHE A 47 -9.875 5.921 5.012 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.718 3.857 5.216 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.844 4.161 6.154 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -9.712 2.644 6.282 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -10.345 1.388 4.266 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.136 5.021 3.993 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.753 0.851 1.943 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.547 4.489 1.668 1.00 0.00 H new ATOM 0 HZ PHE A 47 -8.349 2.400 0.640 1.00 0.00 H new ATOM 677 N HIS A 48 -10.766 5.046 8.153 1.00 0.00 N ATOM 678 CA HIS A 48 -11.123 5.098 9.566 1.00 0.00 C ATOM 679 C HIS A 48 -12.628 5.273 9.741 1.00 0.00 C ATOM 680 O HIS A 48 -13.249 4.609 10.571 1.00 0.00 O ATOM 681 CB HIS A 48 -10.381 6.241 10.260 1.00 0.00 C ATOM 682 CG HIS A 48 -11.005 6.663 11.554 1.00 0.00 C ATOM 683 ND1 HIS A 48 -11.112 7.981 11.944 1.00 0.00 N ATOM 684 CD2 HIS A 48 -11.560 5.932 12.549 1.00 0.00 C ATOM 685 CE1 HIS A 48 -11.704 8.043 13.123 1.00 0.00 C ATOM 686 NE2 HIS A 48 -11.986 6.813 13.513 1.00 0.00 N ATOM 0 H HIS A 48 -9.967 5.626 7.898 1.00 0.00 H new ATOM 0 HA HIS A 48 -10.830 4.153 10.024 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -9.352 5.935 10.446 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -10.342 7.099 9.588 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -11.651 4.856 12.579 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -11.921 8.946 13.674 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -12.445 6.559 14.388 1.00 0.00 H new ATOM 694 N ASP A 49 -13.209 6.173 8.954 1.00 0.00 N ATOM 695 CA ASP A 49 -14.642 6.436 9.021 1.00 0.00 C ATOM 696 C ASP A 49 -15.439 5.234 8.524 1.00 0.00 C ATOM 697 O ASP A 49 -16.530 4.953 9.019 1.00 0.00 O ATOM 698 CB ASP A 49 -14.994 7.674 8.196 1.00 0.00 C ATOM 699 CG ASP A 49 -14.719 8.965 8.941 1.00 0.00 C ATOM 700 OD1 ASP A 49 -14.865 8.976 10.181 1.00 0.00 O ATOM 701 OD2 ASP A 49 -14.358 9.964 8.285 1.00 0.00 O ATOM 0 H ASP A 49 -12.710 6.732 8.263 1.00 0.00 H new ATOM 0 HA ASP A 49 -14.905 6.617 10.063 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.421 7.664 7.269 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -16.048 7.635 7.920 1.00 0.00 H new ATOM 706 N MET A 50 -14.886 4.529 7.542 1.00 0.00 N ATOM 707 CA MET A 50 -15.546 3.357 6.978 1.00 0.00 C ATOM 708 C MET A 50 -15.359 2.141 7.880 1.00 0.00 C ATOM 709 O MET A 50 -15.958 1.090 7.653 1.00 0.00 O ATOM 710 CB MET A 50 -14.998 3.060 5.581 1.00 0.00 C ATOM 711 CG MET A 50 -15.023 4.261 4.650 1.00 0.00 C ATOM 712 SD MET A 50 -15.005 3.791 2.910 1.00 0.00 S ATOM 713 CE MET A 50 -13.543 2.758 2.853 1.00 0.00 C ATOM 0 H MET A 50 -13.983 4.749 7.121 1.00 0.00 H new ATOM 0 HA MET A 50 -16.612 3.571 6.904 1.00 0.00 H new ATOM 0 HB2 MET A 50 -13.973 2.702 5.671 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.580 2.253 5.135 1.00 0.00 H new ATOM 0 HG2 MET A 50 -15.914 4.855 4.853 1.00 0.00 H new ATOM 0 HG3 MET A 50 -14.163 4.896 4.860 1.00 0.00 H new ATOM 0 HE1 MET A 50 -13.336 2.477 1.820 1.00 0.00 H new ATOM 0 HE2 MET A 50 -12.693 3.308 3.256 1.00 0.00 H new ATOM 0 HE3 MET A 50 -13.709 1.860 3.448 1.00 0.00 H new ATOM 723 N ASN A 51 -14.523 2.291 8.903 1.00 0.00 N ATOM 724 CA ASN A 51 -14.257 1.204 9.838 1.00 0.00 C ATOM 725 C ASN A 51 -13.597 0.026 9.129 1.00 0.00 C ATOM 726 O ASN A 51 -13.814 -1.131 9.490 1.00 0.00 O ATOM 727 CB ASN A 51 -15.556 0.749 10.507 1.00 0.00 C ATOM 728 CG ASN A 51 -16.253 1.877 11.242 1.00 0.00 C ATOM 729 OD1 ASN A 51 -16.354 2.995 10.736 1.00 0.00 O ATOM 730 ND2 ASN A 51 -16.739 1.589 12.444 1.00 0.00 N ATOM 0 H ASN A 51 -14.019 3.154 9.105 1.00 0.00 H new ATOM 0 HA ASN A 51 -13.573 1.574 10.602 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -16.228 0.342 9.751 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -15.338 -0.057 11.207 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -17.218 2.308 12.986 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -16.633 0.649 12.825 1.00 0.00 H new ATOM 737 N VAL A 52 -12.789 0.328 8.117 1.00 0.00 N ATOM 738 CA VAL A 52 -12.096 -0.706 7.358 1.00 0.00 C ATOM 739 C VAL A 52 -10.626 -0.786 7.754 1.00 0.00 C ATOM 740 O VAL A 52 -9.806 0.011 7.300 1.00 0.00 O ATOM 741 CB VAL A 52 -12.194 -0.450 5.842 1.00 0.00 C ATOM 742 CG1 VAL A 52 -11.437 -1.519 5.070 1.00 0.00 C ATOM 743 CG2 VAL A 52 -13.650 -0.395 5.405 1.00 0.00 C ATOM 0 H VAL A 52 -12.599 1.280 7.804 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.585 -1.652 7.592 1.00 0.00 H new ATOM 0 HB VAL A 52 -11.736 0.515 5.623 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.518 -1.322 4.001 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.387 -1.505 5.364 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.863 -2.498 5.291 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.701 -0.213 4.331 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -14.135 -1.343 5.636 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -14.158 0.411 5.934 1.00 0.00 H new ATOM 753 N ASN A 53 -10.300 -1.754 8.604 1.00 0.00 N ATOM 754 CA ASN A 53 -8.928 -1.939 9.063 1.00 0.00 C ATOM 755 C ASN A 53 -7.934 -1.602 7.955 1.00 0.00 C ATOM 756 O ASN A 53 -7.868 -2.289 6.936 1.00 0.00 O ATOM 757 CB ASN A 53 -8.715 -3.379 9.533 1.00 0.00 C ATOM 758 CG ASN A 53 -7.298 -3.628 10.011 1.00 0.00 C ATOM 759 OD1 ASN A 53 -6.469 -4.168 9.277 1.00 0.00 O ATOM 760 ND2 ASN A 53 -7.012 -3.234 11.247 1.00 0.00 N ATOM 0 H ASN A 53 -10.967 -2.423 8.989 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.757 -1.262 9.900 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.412 -3.601 10.341 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.945 -4.063 8.716 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.074 -3.375 11.623 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.730 -2.791 11.820 1.00 0.00 H new ATOM 767 N TYR A 54 -7.164 -0.540 8.163 1.00 0.00 N ATOM 768 CA TYR A 54 -6.174 -0.110 7.181 1.00 0.00 C ATOM 769 C TYR A 54 -4.762 -0.213 7.750 1.00 0.00 C ATOM 770 O TYR A 54 -4.577 -0.451 8.944 1.00 0.00 O ATOM 771 CB TYR A 54 -6.455 1.327 6.739 1.00 0.00 C ATOM 772 CG TYR A 54 -6.285 2.344 7.845 1.00 0.00 C ATOM 773 CD1 TYR A 54 -7.255 2.499 8.828 1.00 0.00 C ATOM 774 CD2 TYR A 54 -5.156 3.152 7.906 1.00 0.00 C ATOM 775 CE1 TYR A 54 -7.105 3.427 9.840 1.00 0.00 C ATOM 776 CE2 TYR A 54 -4.997 4.082 8.915 1.00 0.00 C ATOM 777 CZ TYR A 54 -5.974 4.216 9.879 1.00 0.00 C ATOM 778 OH TYR A 54 -5.820 5.143 10.885 1.00 0.00 O ATOM 0 H TYR A 54 -7.206 0.039 9.002 1.00 0.00 H new ATOM 0 HA TYR A 54 -6.246 -0.770 6.316 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.787 1.582 5.916 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.473 1.388 6.354 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -8.142 1.883 8.800 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -4.390 3.051 7.152 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -7.869 3.534 10.596 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -4.112 4.701 8.949 1.00 0.00 H new ATOM 0 HH TYR A 54 -4.969 5.615 10.768 1.00 0.00 H new ATOM 788 N LYS A 55 -3.769 -0.032 6.887 1.00 0.00 N ATOM 789 CA LYS A 55 -2.373 -0.101 7.300 1.00 0.00 C ATOM 790 C LYS A 55 -1.580 1.075 6.740 1.00 0.00 C ATOM 791 O LYS A 55 -1.261 1.113 5.551 1.00 0.00 O ATOM 792 CB LYS A 55 -1.747 -1.419 6.836 1.00 0.00 C ATOM 793 CG LYS A 55 -0.237 -1.462 6.988 1.00 0.00 C ATOM 794 CD LYS A 55 0.175 -1.520 8.450 1.00 0.00 C ATOM 795 CE LYS A 55 1.487 -2.268 8.630 1.00 0.00 C ATOM 796 NZ LYS A 55 1.568 -2.933 9.960 1.00 0.00 N ATOM 0 H LYS A 55 -3.905 0.164 5.895 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.340 -0.053 8.388 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.184 -2.239 7.405 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.003 -1.585 5.790 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.158 -2.332 6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.202 -0.581 6.520 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.276 -0.508 8.841 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.607 -2.010 9.030 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.590 -3.015 7.843 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.319 -1.573 8.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.477 -3.432 10.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.495 -2.217 10.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.789 -3.615 10.055 1.00 0.00 H new ATOM 810 N VAL A 56 -1.263 2.035 7.604 1.00 0.00 N ATOM 811 CA VAL A 56 -0.505 3.211 7.196 1.00 0.00 C ATOM 812 C VAL A 56 0.970 3.065 7.551 1.00 0.00 C ATOM 813 O VAL A 56 1.315 2.623 8.647 1.00 0.00 O ATOM 814 CB VAL A 56 -1.057 4.490 7.854 1.00 0.00 C ATOM 815 CG1 VAL A 56 -0.403 4.718 9.209 1.00 0.00 C ATOM 816 CG2 VAL A 56 -0.848 5.690 6.944 1.00 0.00 C ATOM 0 H VAL A 56 -1.520 2.021 8.591 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.608 3.294 6.114 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.128 4.364 8.010 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.805 5.626 9.659 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.609 3.868 9.860 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.674 4.823 9.080 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.244 6.585 7.425 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.217 5.821 6.754 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.367 5.526 6.000 1.00 0.00 H new ATOM 826 N VAL A 57 1.838 3.440 6.617 1.00 0.00 N ATOM 827 CA VAL A 57 3.277 3.353 6.832 1.00 0.00 C ATOM 828 C VAL A 57 3.969 4.660 6.461 1.00 0.00 C ATOM 829 O VAL A 57 4.217 4.930 5.287 1.00 0.00 O ATOM 830 CB VAL A 57 3.898 2.206 6.013 1.00 0.00 C ATOM 831 CG1 VAL A 57 5.384 2.078 6.314 1.00 0.00 C ATOM 832 CG2 VAL A 57 3.174 0.898 6.294 1.00 0.00 C ATOM 0 H VAL A 57 1.569 3.807 5.704 1.00 0.00 H new ATOM 0 HA VAL A 57 3.427 3.155 7.893 1.00 0.00 H new ATOM 0 HB VAL A 57 3.785 2.437 4.954 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.805 1.263 5.726 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.889 3.009 6.057 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.524 1.870 7.375 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.626 0.099 5.707 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.253 0.659 7.354 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.123 0.998 6.022 1.00 0.00 H new ATOM 842 N GLU A 58 4.277 5.468 7.471 1.00 0.00 N ATOM 843 CA GLU A 58 4.940 6.748 7.251 1.00 0.00 C ATOM 844 C GLU A 58 6.412 6.545 6.904 1.00 0.00 C ATOM 845 O GLU A 58 7.143 5.863 7.625 1.00 0.00 O ATOM 846 CB GLU A 58 4.814 7.633 8.492 1.00 0.00 C ATOM 847 CG GLU A 58 3.465 7.524 9.183 1.00 0.00 C ATOM 848 CD GLU A 58 3.417 6.393 10.192 1.00 0.00 C ATOM 849 OE1 GLU A 58 4.002 6.547 11.284 1.00 0.00 O ATOM 850 OE2 GLU A 58 2.794 5.354 9.889 1.00 0.00 O ATOM 0 H GLU A 58 4.078 5.259 8.449 1.00 0.00 H new ATOM 0 HA GLU A 58 4.451 7.242 6.411 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.598 7.365 9.200 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.984 8.671 8.206 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.241 8.465 9.686 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.688 7.371 8.434 1.00 0.00 H new ATOM 857 N LEU A 59 6.841 7.141 5.798 1.00 0.00 N ATOM 858 CA LEU A 59 8.226 7.027 5.354 1.00 0.00 C ATOM 859 C LEU A 59 9.072 8.167 5.911 1.00 0.00 C ATOM 860 O LEU A 59 10.177 7.948 6.408 1.00 0.00 O ATOM 861 CB LEU A 59 8.295 7.025 3.826 1.00 0.00 C ATOM 862 CG LEU A 59 7.393 6.016 3.115 1.00 0.00 C ATOM 863 CD1 LEU A 59 7.142 6.444 1.678 1.00 0.00 C ATOM 864 CD2 LEU A 59 8.010 4.625 3.159 1.00 0.00 C ATOM 0 H LEU A 59 6.250 7.709 5.191 1.00 0.00 H new ATOM 0 HA LEU A 59 8.625 6.085 5.730 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.041 8.023 3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 59 9.326 6.833 3.529 1.00 0.00 H new ATOM 0 HG LEU A 59 6.436 5.984 3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.498 5.714 1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.657 7.420 1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.091 6.506 1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.354 3.920 2.648 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.981 4.642 2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.137 4.316 4.197 1.00 0.00 H new ATOM 876 N ASP A 60 8.545 9.384 5.826 1.00 0.00 N ATOM 877 CA ASP A 60 9.250 10.559 6.325 1.00 0.00 C ATOM 878 C ASP A 60 9.640 10.378 7.789 1.00 0.00 C ATOM 879 O ASP A 60 10.506 11.087 8.304 1.00 0.00 O ATOM 880 CB ASP A 60 8.381 11.807 6.167 1.00 0.00 C ATOM 881 CG ASP A 60 9.134 13.082 6.489 1.00 0.00 C ATOM 882 OD1 ASP A 60 9.231 13.428 7.686 1.00 0.00 O ATOM 883 OD2 ASP A 60 9.628 13.734 5.546 1.00 0.00 O ATOM 0 H ASP A 60 7.632 9.582 5.416 1.00 0.00 H new ATOM 0 HA ASP A 60 10.160 10.683 5.738 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.007 11.858 5.145 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.513 11.727 6.821 1.00 0.00 H new ATOM 888 N LEU A 61 8.996 9.426 8.454 1.00 0.00 N ATOM 889 CA LEU A 61 9.275 9.152 9.859 1.00 0.00 C ATOM 890 C LEU A 61 10.224 7.967 10.005 1.00 0.00 C ATOM 891 O LEU A 61 11.030 7.914 10.936 1.00 0.00 O ATOM 892 CB LEU A 61 7.973 8.873 10.613 1.00 0.00 C ATOM 893 CG LEU A 61 6.986 10.037 10.700 1.00 0.00 C ATOM 894 CD1 LEU A 61 7.686 11.296 11.186 1.00 0.00 C ATOM 895 CD2 LEU A 61 6.326 10.279 9.351 1.00 0.00 C ATOM 0 H LEU A 61 8.277 8.831 8.043 1.00 0.00 H new ATOM 0 HA LEU A 61 9.754 10.032 10.287 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.472 8.033 10.133 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.223 8.559 11.626 1.00 0.00 H new ATOM 0 HG LEU A 61 6.210 9.777 11.420 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.967 12.114 11.241 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.110 11.118 12.174 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.483 11.560 10.491 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.627 11.111 9.432 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.089 10.517 8.610 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.789 9.382 9.043 1.00 0.00 H new ATOM 907 N LEU A 62 10.126 7.019 9.080 1.00 0.00 N ATOM 908 CA LEU A 62 10.978 5.835 9.104 1.00 0.00 C ATOM 909 C LEU A 62 12.447 6.218 8.955 1.00 0.00 C ATOM 910 O LEU A 62 12.769 7.345 8.583 1.00 0.00 O ATOM 911 CB LEU A 62 10.575 4.870 7.987 1.00 0.00 C ATOM 912 CG LEU A 62 9.341 4.009 8.257 1.00 0.00 C ATOM 913 CD1 LEU A 62 8.775 3.463 6.955 1.00 0.00 C ATOM 914 CD2 LEU A 62 9.682 2.873 9.210 1.00 0.00 C ATOM 0 H LEU A 62 9.465 7.047 8.304 1.00 0.00 H new ATOM 0 HA LEU A 62 10.846 5.342 10.067 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.398 5.449 7.080 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.417 4.209 7.784 1.00 0.00 H new ATOM 0 HG LEU A 62 8.581 4.634 8.725 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.897 2.853 7.167 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.492 4.291 6.305 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.529 2.853 6.458 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.792 2.270 9.391 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.459 2.249 8.769 1.00 0.00 H new ATOM 0 HD23 LEU A 62 10.039 3.285 10.154 1.00 0.00 H new ATOM 926 N GLU A 63 13.332 5.270 9.247 1.00 0.00 N ATOM 927 CA GLU A 63 14.767 5.509 9.145 1.00 0.00 C ATOM 928 C GLU A 63 15.245 5.342 7.705 1.00 0.00 C ATOM 929 O GLU A 63 16.117 6.077 7.240 1.00 0.00 O ATOM 930 CB GLU A 63 15.533 4.552 10.061 1.00 0.00 C ATOM 931 CG GLU A 63 15.500 3.106 9.596 1.00 0.00 C ATOM 932 CD GLU A 63 16.202 2.168 10.558 1.00 0.00 C ATOM 933 OE1 GLU A 63 15.698 1.992 11.687 1.00 0.00 O ATOM 934 OE2 GLU A 63 17.254 1.609 10.183 1.00 0.00 O ATOM 0 H GLU A 63 13.081 4.331 9.556 1.00 0.00 H new ATOM 0 HA GLU A 63 14.961 6.535 9.459 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.570 4.879 10.128 1.00 0.00 H new ATOM 0 HB3 GLU A 63 15.114 4.611 11.066 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.464 2.790 9.477 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.970 3.033 8.615 1.00 0.00 H new ATOM 941 N TYR A 64 14.668 4.372 7.005 1.00 0.00 N ATOM 942 CA TYR A 64 15.035 4.106 5.620 1.00 0.00 C ATOM 943 C TYR A 64 13.967 4.626 4.663 1.00 0.00 C ATOM 944 O TYR A 64 13.684 4.011 3.636 1.00 0.00 O ATOM 945 CB TYR A 64 15.242 2.606 5.404 1.00 0.00 C ATOM 946 CG TYR A 64 14.251 1.744 6.153 1.00 0.00 C ATOM 947 CD1 TYR A 64 12.952 1.582 5.688 1.00 0.00 C ATOM 948 CD2 TYR A 64 14.613 1.093 7.326 1.00 0.00 C ATOM 949 CE1 TYR A 64 12.042 0.796 6.370 1.00 0.00 C ATOM 950 CE2 TYR A 64 13.711 0.304 8.013 1.00 0.00 C ATOM 951 CZ TYR A 64 12.427 0.159 7.531 1.00 0.00 C ATOM 952 OH TYR A 64 11.525 -0.625 8.214 1.00 0.00 O ATOM 0 H TYR A 64 13.944 3.756 7.375 1.00 0.00 H new ATOM 0 HA TYR A 64 15.969 4.629 5.412 1.00 0.00 H new ATOM 0 HB2 TYR A 64 15.169 2.387 4.339 1.00 0.00 H new ATOM 0 HB3 TYR A 64 16.252 2.339 5.715 1.00 0.00 H new ATOM 0 HD1 TYR A 64 12.648 2.078 4.778 1.00 0.00 H new ATOM 0 HD2 TYR A 64 15.617 1.206 7.707 1.00 0.00 H new ATOM 0 HE1 TYR A 64 11.035 0.681 5.996 1.00 0.00 H new ATOM 0 HE2 TYR A 64 14.010 -0.196 8.922 1.00 0.00 H new ATOM 0 HH TYR A 64 11.956 -1.002 9.009 1.00 0.00 H new ATOM 962 N GLY A 65 13.377 5.767 5.008 1.00 0.00 N ATOM 963 CA GLY A 65 12.347 6.353 4.171 1.00 0.00 C ATOM 964 C GLY A 65 12.789 6.504 2.729 1.00 0.00 C ATOM 965 O GLY A 65 12.059 6.141 1.808 1.00 0.00 O ATOM 0 H GLY A 65 13.595 6.296 5.853 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.453 5.731 4.211 1.00 0.00 H new ATOM 0 HA3 GLY A 65 12.073 7.330 4.568 1.00 0.00 H new ATOM 969 N ASN A 66 13.988 7.043 2.532 1.00 0.00 N ATOM 970 CA ASN A 66 14.525 7.243 1.191 1.00 0.00 C ATOM 971 C ASN A 66 14.477 5.948 0.386 1.00 0.00 C ATOM 972 O ASN A 66 14.295 5.969 -0.831 1.00 0.00 O ATOM 973 CB ASN A 66 15.965 7.756 1.267 1.00 0.00 C ATOM 974 CG ASN A 66 16.871 6.822 2.046 1.00 0.00 C ATOM 975 OD1 ASN A 66 17.475 5.911 1.480 1.00 0.00 O ATOM 976 ND2 ASN A 66 16.969 7.046 3.351 1.00 0.00 N ATOM 0 H ASN A 66 14.606 7.349 3.284 1.00 0.00 H new ATOM 0 HA ASN A 66 13.907 7.986 0.687 1.00 0.00 H new ATOM 0 HB2 ASN A 66 16.357 7.880 0.258 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.973 8.740 1.736 1.00 0.00 H new ATOM 0 HD21 ASN A 66 17.564 6.451 3.927 1.00 0.00 H new ATOM 0 HD22 ASN A 66 16.450 7.813 3.777 1.00 0.00 H new ATOM 983 N GLN A 67 14.641 4.823 1.075 1.00 0.00 N ATOM 984 CA GLN A 67 14.616 3.519 0.425 1.00 0.00 C ATOM 985 C GLN A 67 13.209 3.175 -0.053 1.00 0.00 C ATOM 986 O GLN A 67 12.937 3.156 -1.253 1.00 0.00 O ATOM 987 CB GLN A 67 15.121 2.438 1.382 1.00 0.00 C ATOM 988 CG GLN A 67 16.604 2.550 1.699 1.00 0.00 C ATOM 989 CD GLN A 67 17.482 2.215 0.509 1.00 0.00 C ATOM 990 OE1 GLN A 67 17.294 1.189 -0.146 1.00 0.00 O ATOM 991 NE2 GLN A 67 18.447 3.080 0.223 1.00 0.00 N ATOM 0 H GLN A 67 14.793 4.789 2.083 1.00 0.00 H new ATOM 0 HA GLN A 67 15.274 3.562 -0.443 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.554 2.494 2.311 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.924 1.458 0.947 1.00 0.00 H new ATOM 0 HG2 GLN A 67 16.824 3.563 2.034 1.00 0.00 H new ATOM 0 HG3 GLN A 67 16.847 1.881 2.525 1.00 0.00 H new ATOM 0 HE21 GLN A 67 18.567 3.917 0.793 1.00 0.00 H new ATOM 0 HE22 GLN A 67 19.069 2.907 -0.567 1.00 0.00 H new ATOM 1000 N PHE A 68 12.318 2.904 0.895 1.00 0.00 N ATOM 1001 CA PHE A 68 10.939 2.559 0.572 1.00 0.00 C ATOM 1002 C PHE A 68 10.293 3.646 -0.283 1.00 0.00 C ATOM 1003 O PHE A 68 9.287 3.408 -0.951 1.00 0.00 O ATOM 1004 CB PHE A 68 10.128 2.353 1.853 1.00 0.00 C ATOM 1005 CG PHE A 68 10.345 1.011 2.490 1.00 0.00 C ATOM 1006 CD1 PHE A 68 11.627 0.534 2.712 1.00 0.00 C ATOM 1007 CD2 PHE A 68 9.267 0.226 2.868 1.00 0.00 C ATOM 1008 CE1 PHE A 68 11.830 -0.701 3.299 1.00 0.00 C ATOM 1009 CE2 PHE A 68 9.464 -1.009 3.455 1.00 0.00 C ATOM 1010 CZ PHE A 68 10.747 -1.474 3.670 1.00 0.00 C ATOM 0 H PHE A 68 12.527 2.917 1.893 1.00 0.00 H new ATOM 0 HA PHE A 68 10.947 1.630 0.003 1.00 0.00 H new ATOM 0 HB2 PHE A 68 10.390 3.133 2.569 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.069 2.471 1.626 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.477 1.134 2.423 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.262 0.584 2.702 1.00 0.00 H new ATOM 0 HE1 PHE A 68 12.834 -1.061 3.467 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.615 -1.611 3.746 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.903 -2.440 4.127 1.00 0.00 H new ATOM 1020 N GLN A 69 10.879 4.838 -0.255 1.00 0.00 N ATOM 1021 CA GLN A 69 10.360 5.962 -1.026 1.00 0.00 C ATOM 1022 C GLN A 69 10.607 5.759 -2.518 1.00 0.00 C ATOM 1023 O GLN A 69 9.714 5.968 -3.339 1.00 0.00 O ATOM 1024 CB GLN A 69 11.007 7.268 -0.563 1.00 0.00 C ATOM 1025 CG GLN A 69 10.231 7.974 0.537 1.00 0.00 C ATOM 1026 CD GLN A 69 10.822 9.325 0.893 1.00 0.00 C ATOM 1027 OE1 GLN A 69 12.040 9.502 0.893 1.00 0.00 O ATOM 1028 NE2 GLN A 69 9.958 10.287 1.198 1.00 0.00 N ATOM 0 H GLN A 69 11.713 5.051 0.293 1.00 0.00 H new ATOM 0 HA GLN A 69 9.284 6.019 -0.859 1.00 0.00 H new ATOM 0 HB2 GLN A 69 12.016 7.058 -0.207 1.00 0.00 H new ATOM 0 HB3 GLN A 69 11.103 7.939 -1.417 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.197 8.106 0.219 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.213 7.344 1.426 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.956 10.096 1.185 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.296 11.217 1.445 1.00 0.00 H new ATOM 1037 N ASP A 70 11.825 5.353 -2.860 1.00 0.00 N ATOM 1038 CA ASP A 70 12.190 5.121 -4.253 1.00 0.00 C ATOM 1039 C ASP A 70 11.420 3.935 -4.827 1.00 0.00 C ATOM 1040 O ASP A 70 10.788 4.043 -5.877 1.00 0.00 O ATOM 1041 CB ASP A 70 13.694 4.875 -4.374 1.00 0.00 C ATOM 1042 CG ASP A 70 14.196 5.042 -5.795 1.00 0.00 C ATOM 1043 OD1 ASP A 70 13.561 5.795 -6.564 1.00 0.00 O ATOM 1044 OD2 ASP A 70 15.223 4.422 -6.138 1.00 0.00 O ATOM 0 H ASP A 70 12.576 5.178 -2.192 1.00 0.00 H new ATOM 0 HA ASP A 70 11.928 6.012 -4.824 1.00 0.00 H new ATOM 0 HB2 ASP A 70 14.226 5.566 -3.720 1.00 0.00 H new ATOM 0 HB3 ASP A 70 13.923 3.868 -4.027 1.00 0.00 H new ATOM 1049 N ALA A 71 11.479 2.805 -4.130 1.00 0.00 N ATOM 1050 CA ALA A 71 10.787 1.600 -4.569 1.00 0.00 C ATOM 1051 C ALA A 71 9.364 1.916 -5.017 1.00 0.00 C ATOM 1052 O ALA A 71 8.997 1.678 -6.168 1.00 0.00 O ATOM 1053 CB ALA A 71 10.774 0.563 -3.456 1.00 0.00 C ATOM 0 H ALA A 71 11.999 2.699 -3.259 1.00 0.00 H new ATOM 0 HA ALA A 71 11.327 1.192 -5.424 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.254 -0.332 -3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.798 0.306 -3.186 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.260 0.970 -2.585 1.00 0.00 H new ATOM 1059 N LEU A 72 8.566 2.453 -4.101 1.00 0.00 N ATOM 1060 CA LEU A 72 7.182 2.802 -4.401 1.00 0.00 C ATOM 1061 C LEU A 72 7.078 3.505 -5.751 1.00 0.00 C ATOM 1062 O LEU A 72 6.304 3.096 -6.617 1.00 0.00 O ATOM 1063 CB LEU A 72 6.611 3.699 -3.301 1.00 0.00 C ATOM 1064 CG LEU A 72 6.177 2.992 -2.017 1.00 0.00 C ATOM 1065 CD1 LEU A 72 5.886 4.006 -0.922 1.00 0.00 C ATOM 1066 CD2 LEU A 72 4.958 2.118 -2.275 1.00 0.00 C ATOM 0 H LEU A 72 8.854 2.656 -3.144 1.00 0.00 H new ATOM 0 HA LEU A 72 6.603 1.880 -4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.361 4.447 -3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.752 4.234 -3.706 1.00 0.00 H new ATOM 0 HG LEU A 72 6.994 2.352 -1.683 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.579 3.485 -0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.784 4.589 -0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.087 4.672 -1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.663 1.623 -1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.136 2.737 -2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.201 1.367 -3.027 1.00 0.00 H new ATOM 1078 N TYR A 73 7.864 4.561 -5.924 1.00 0.00 N ATOM 1079 CA TYR A 73 7.861 5.321 -7.169 1.00 0.00 C ATOM 1080 C TYR A 73 7.955 4.391 -8.375 1.00 0.00 C ATOM 1081 O TYR A 73 7.127 4.448 -9.284 1.00 0.00 O ATOM 1082 CB TYR A 73 9.022 6.316 -7.186 1.00 0.00 C ATOM 1083 CG TYR A 73 9.395 6.787 -8.574 1.00 0.00 C ATOM 1084 CD1 TYR A 73 8.425 7.238 -9.460 1.00 0.00 C ATOM 1085 CD2 TYR A 73 10.718 6.783 -8.998 1.00 0.00 C ATOM 1086 CE1 TYR A 73 8.761 7.668 -10.729 1.00 0.00 C ATOM 1087 CE2 TYR A 73 11.064 7.213 -10.264 1.00 0.00 C ATOM 1088 CZ TYR A 73 10.082 7.654 -11.126 1.00 0.00 C ATOM 1089 OH TYR A 73 10.421 8.083 -12.389 1.00 0.00 O ATOM 0 H TYR A 73 8.512 4.911 -5.218 1.00 0.00 H new ATOM 0 HA TYR A 73 6.921 5.869 -7.228 1.00 0.00 H new ATOM 0 HB2 TYR A 73 8.758 7.180 -6.577 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.893 5.853 -6.722 1.00 0.00 H new ATOM 0 HD1 TYR A 73 7.390 7.253 -9.151 1.00 0.00 H new ATOM 0 HD2 TYR A 73 11.489 6.438 -8.326 1.00 0.00 H new ATOM 0 HE1 TYR A 73 7.994 8.013 -11.406 1.00 0.00 H new ATOM 0 HE2 TYR A 73 12.098 7.204 -10.577 1.00 0.00 H new ATOM 0 HH TYR A 73 11.391 8.010 -12.510 1.00 0.00 H new ATOM 1099 N LYS A 74 8.970 3.534 -8.375 1.00 0.00 N ATOM 1100 CA LYS A 74 9.175 2.590 -9.466 1.00 0.00 C ATOM 1101 C LYS A 74 7.960 1.683 -9.636 1.00 0.00 C ATOM 1102 O LYS A 74 7.800 1.030 -10.667 1.00 0.00 O ATOM 1103 CB LYS A 74 10.424 1.744 -9.209 1.00 0.00 C ATOM 1104 CG LYS A 74 11.701 2.559 -9.113 1.00 0.00 C ATOM 1105 CD LYS A 74 12.738 1.871 -8.242 1.00 0.00 C ATOM 1106 CE LYS A 74 13.763 2.860 -7.706 1.00 0.00 C ATOM 1107 NZ LYS A 74 14.922 3.011 -8.629 1.00 0.00 N ATOM 0 H LYS A 74 9.664 3.474 -7.630 1.00 0.00 H new ATOM 0 HA LYS A 74 9.313 3.160 -10.385 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.289 1.185 -8.283 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.529 1.013 -10.011 1.00 0.00 H new ATOM 0 HG2 LYS A 74 12.109 2.716 -10.111 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.475 3.543 -8.703 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.242 1.373 -7.409 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.245 1.098 -8.820 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.289 3.830 -7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.116 2.525 -6.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.665 3.570 -8.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.297 2.072 -8.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.615 3.496 -9.496 1.00 0.00 H new ATOM 1121 N MET A 75 7.106 1.648 -8.618 1.00 0.00 N ATOM 1122 CA MET A 75 5.904 0.823 -8.656 1.00 0.00 C ATOM 1123 C MET A 75 4.708 1.628 -9.154 1.00 0.00 C ATOM 1124 O MET A 75 3.843 1.105 -9.857 1.00 0.00 O ATOM 1125 CB MET A 75 5.608 0.252 -7.268 1.00 0.00 C ATOM 1126 CG MET A 75 6.783 -0.489 -6.652 1.00 0.00 C ATOM 1127 SD MET A 75 6.265 -1.833 -5.567 1.00 0.00 S ATOM 1128 CE MET A 75 5.351 -0.929 -4.321 1.00 0.00 C ATOM 0 H MET A 75 7.224 2.181 -7.757 1.00 0.00 H new ATOM 0 HA MET A 75 6.079 0.000 -9.349 1.00 0.00 H new ATOM 0 HB2 MET A 75 5.314 1.066 -6.605 1.00 0.00 H new ATOM 0 HB3 MET A 75 4.757 -0.426 -7.337 1.00 0.00 H new ATOM 0 HG2 MET A 75 7.411 -0.891 -7.447 1.00 0.00 H new ATOM 0 HG3 MET A 75 7.395 0.214 -6.087 1.00 0.00 H new ATOM 0 HE1 MET A 75 4.763 -1.626 -3.724 1.00 0.00 H new ATOM 0 HE2 MET A 75 6.048 -0.395 -3.675 1.00 0.00 H new ATOM 0 HE3 MET A 75 4.685 -0.215 -4.805 1.00 0.00 H new ATOM 1138 N THR A 76 4.664 2.904 -8.783 1.00 0.00 N ATOM 1139 CA THR A 76 3.573 3.781 -9.191 1.00 0.00 C ATOM 1140 C THR A 76 3.931 4.553 -10.456 1.00 0.00 C ATOM 1141 O THR A 76 3.276 4.410 -11.487 1.00 0.00 O ATOM 1142 CB THR A 76 3.211 4.782 -8.077 1.00 0.00 C ATOM 1143 OG1 THR A 76 4.257 5.748 -7.928 1.00 0.00 O ATOM 1144 CG2 THR A 76 2.985 4.064 -6.756 1.00 0.00 C ATOM 0 H THR A 76 5.371 3.353 -8.201 1.00 0.00 H new ATOM 0 HA THR A 76 2.712 3.143 -9.390 1.00 0.00 H new ATOM 0 HB THR A 76 2.288 5.287 -8.360 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.019 6.382 -7.219 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.731 4.792 -5.985 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.168 3.350 -6.865 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.894 3.535 -6.470 1.00 0.00 H new ATOM 1152 N GLY A 77 4.976 5.370 -10.369 1.00 0.00 N ATOM 1153 CA GLY A 77 5.403 6.152 -11.515 1.00 0.00 C ATOM 1154 C GLY A 77 4.881 7.574 -11.473 1.00 0.00 C ATOM 1155 O GLY A 77 4.982 8.308 -12.456 1.00 0.00 O ATOM 0 H GLY A 77 5.534 5.504 -9.526 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.492 6.169 -11.554 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.059 5.669 -12.429 1.00 0.00 H new ATOM 1159 N GLU A 78 4.319 7.964 -10.333 1.00 0.00 N ATOM 1160 CA GLU A 78 3.777 9.308 -10.169 1.00 0.00 C ATOM 1161 C GLU A 78 4.455 10.030 -9.009 1.00 0.00 C ATOM 1162 O GLU A 78 4.781 11.214 -9.106 1.00 0.00 O ATOM 1163 CB GLU A 78 2.266 9.247 -9.934 1.00 0.00 C ATOM 1164 CG GLU A 78 1.536 10.516 -10.339 1.00 0.00 C ATOM 1165 CD GLU A 78 1.112 10.507 -11.795 1.00 0.00 C ATOM 1166 OE1 GLU A 78 0.149 9.785 -12.128 1.00 0.00 O ATOM 1167 OE2 GLU A 78 1.744 11.221 -12.600 1.00 0.00 O ATOM 0 H GLU A 78 4.227 7.369 -9.510 1.00 0.00 H new ATOM 0 HA GLU A 78 3.973 9.866 -11.085 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.854 8.407 -10.492 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.079 9.051 -8.878 1.00 0.00 H new ATOM 0 HG2 GLU A 78 0.655 10.641 -9.709 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.182 11.375 -10.158 1.00 0.00 H new ATOM 1174 N ARG A 79 4.663 9.310 -7.912 1.00 0.00 N ATOM 1175 CA ARG A 79 5.300 9.882 -6.732 1.00 0.00 C ATOM 1176 C ARG A 79 4.378 10.888 -6.049 1.00 0.00 C ATOM 1177 O ARG A 79 4.799 11.987 -5.686 1.00 0.00 O ATOM 1178 CB ARG A 79 6.617 10.560 -7.115 1.00 0.00 C ATOM 1179 CG ARG A 79 7.473 9.736 -8.063 1.00 0.00 C ATOM 1180 CD ARG A 79 8.292 10.623 -8.988 1.00 0.00 C ATOM 1181 NE ARG A 79 7.586 10.914 -10.233 1.00 0.00 N ATOM 1182 CZ ARG A 79 7.913 11.911 -11.047 1.00 0.00 C ATOM 1183 NH1 ARG A 79 8.930 12.708 -10.750 1.00 0.00 N ATOM 1184 NH2 ARG A 79 7.222 12.112 -12.162 1.00 0.00 N ATOM 0 H ARG A 79 4.400 8.329 -7.816 1.00 0.00 H new ATOM 0 HA ARG A 79 5.506 9.071 -6.033 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.399 11.522 -7.579 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.187 10.765 -6.209 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.140 9.094 -7.488 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.834 9.082 -8.656 1.00 0.00 H new ATOM 0 HD2 ARG A 79 8.529 11.557 -8.479 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.240 10.134 -9.214 1.00 0.00 H new ATOM 0 HE ARG A 79 6.799 10.319 -10.491 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.464 12.556 -9.894 1.00 0.00 H new ATOM 0 HH12 ARG A 79 9.179 13.473 -11.377 1.00 0.00 H new ATOM 0 HH21 ARG A 79 6.439 11.501 -12.394 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.474 12.878 -12.787 1.00 0.00 H new ATOM 1198 N THR A 80 3.116 10.505 -5.879 1.00 0.00 N ATOM 1199 CA THR A 80 2.133 11.372 -5.242 1.00 0.00 C ATOM 1200 C THR A 80 1.568 10.730 -3.980 1.00 0.00 C ATOM 1201 O THR A 80 0.892 9.703 -4.044 1.00 0.00 O ATOM 1202 CB THR A 80 0.973 11.704 -6.199 1.00 0.00 C ATOM 1203 OG1 THR A 80 0.313 10.500 -6.605 1.00 0.00 O ATOM 1204 CG2 THR A 80 1.479 12.448 -7.426 1.00 0.00 C ATOM 0 H THR A 80 2.751 9.599 -6.174 1.00 0.00 H new ATOM 0 HA THR A 80 2.650 12.294 -4.976 1.00 0.00 H new ATOM 0 HB THR A 80 0.268 12.345 -5.670 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.420 9.818 -5.910 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.642 12.672 -8.087 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.955 13.378 -7.117 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.203 11.828 -7.955 1.00 0.00 H new ATOM 1212 N VAL A 81 1.849 11.341 -2.834 1.00 0.00 N ATOM 1213 CA VAL A 81 1.367 10.830 -1.556 1.00 0.00 C ATOM 1214 C VAL A 81 0.097 11.551 -1.120 1.00 0.00 C ATOM 1215 O VAL A 81 -0.141 12.708 -1.468 1.00 0.00 O ATOM 1216 CB VAL A 81 2.433 10.977 -0.454 1.00 0.00 C ATOM 1217 CG1 VAL A 81 3.640 10.102 -0.758 1.00 0.00 C ATOM 1218 CG2 VAL A 81 2.845 12.434 -0.303 1.00 0.00 C ATOM 0 H VAL A 81 2.408 12.191 -2.764 1.00 0.00 H new ATOM 0 HA VAL A 81 1.149 9.772 -1.700 1.00 0.00 H new ATOM 0 HB VAL A 81 2.002 10.645 0.491 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.382 10.219 0.031 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.329 9.059 -0.812 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.075 10.400 -1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.599 12.520 0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.258 12.795 -1.245 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.974 13.032 -0.035 1.00 0.00 H new ATOM 1228 N PRO A 82 -0.739 10.854 -0.337 1.00 0.00 N ATOM 1229 CA PRO A 82 -0.467 9.477 0.085 1.00 0.00 C ATOM 1230 C PRO A 82 -0.567 8.487 -1.071 1.00 0.00 C ATOM 1231 O PRO A 82 -0.843 8.871 -2.207 1.00 0.00 O ATOM 1232 CB PRO A 82 -1.558 9.200 1.122 1.00 0.00 C ATOM 1233 CG PRO A 82 -2.669 10.124 0.758 1.00 0.00 C ATOM 1234 CD PRO A 82 -2.016 11.357 0.197 1.00 0.00 C ATOM 0 HA PRO A 82 0.546 9.362 0.472 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.881 8.160 1.089 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.200 9.390 2.134 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.333 9.666 0.025 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.276 10.367 1.630 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.625 11.815 -0.582 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.860 12.114 0.966 1.00 0.00 H new ATOM 1242 N ARG A 83 -0.342 7.211 -0.772 1.00 0.00 N ATOM 1243 CA ARG A 83 -0.406 6.166 -1.787 1.00 0.00 C ATOM 1244 C ARG A 83 -1.146 4.941 -1.259 1.00 0.00 C ATOM 1245 O ARG A 83 -0.685 4.279 -0.328 1.00 0.00 O ATOM 1246 CB ARG A 83 1.003 5.772 -2.233 1.00 0.00 C ATOM 1247 CG ARG A 83 1.664 6.797 -3.140 1.00 0.00 C ATOM 1248 CD ARG A 83 3.176 6.793 -2.976 1.00 0.00 C ATOM 1249 NE ARG A 83 3.766 8.085 -3.315 1.00 0.00 N ATOM 1250 CZ ARG A 83 5.017 8.422 -3.019 1.00 0.00 C ATOM 1251 NH1 ARG A 83 5.804 7.567 -2.382 1.00 0.00 N ATOM 1252 NH2 ARG A 83 5.482 9.617 -3.361 1.00 0.00 N ATOM 0 H ARG A 83 -0.114 6.877 0.164 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.954 6.559 -2.644 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.626 5.625 -1.351 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.956 4.816 -2.754 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.409 6.584 -4.178 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.275 7.790 -2.913 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.428 6.538 -1.947 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.608 6.019 -3.611 1.00 0.00 H new ATOM 0 HE ARG A 83 3.186 8.766 -3.806 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.450 6.648 -2.118 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.764 7.828 -2.156 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.879 10.278 -3.851 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.442 9.875 -3.133 1.00 0.00 H new ATOM 1266 N ILE A 84 -2.294 4.645 -1.859 1.00 0.00 N ATOM 1267 CA ILE A 84 -3.096 3.499 -1.449 1.00 0.00 C ATOM 1268 C ILE A 84 -2.883 2.315 -2.387 1.00 0.00 C ATOM 1269 O ILE A 84 -2.792 2.482 -3.603 1.00 0.00 O ATOM 1270 CB ILE A 84 -4.596 3.846 -1.412 1.00 0.00 C ATOM 1271 CG1 ILE A 84 -4.851 5.000 -0.440 1.00 0.00 C ATOM 1272 CG2 ILE A 84 -5.413 2.625 -1.019 1.00 0.00 C ATOM 1273 CD1 ILE A 84 -4.772 6.365 -1.088 1.00 0.00 C ATOM 0 H ILE A 84 -2.689 5.183 -2.630 1.00 0.00 H new ATOM 0 HA ILE A 84 -2.769 3.228 -0.445 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.906 4.160 -2.409 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.837 4.876 0.008 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.124 4.949 0.371 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.471 2.887 -0.997 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.251 1.829 -1.746 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.104 2.283 -0.031 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.963 7.134 -0.340 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.778 6.510 -1.512 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.518 6.436 -1.880 1.00 0.00 H new ATOM 1285 N PHE A 85 -2.806 1.119 -1.813 1.00 0.00 N ATOM 1286 CA PHE A 85 -2.604 -0.094 -2.597 1.00 0.00 C ATOM 1287 C PHE A 85 -3.552 -1.199 -2.142 1.00 0.00 C ATOM 1288 O PHE A 85 -3.503 -1.641 -0.994 1.00 0.00 O ATOM 1289 CB PHE A 85 -1.155 -0.568 -2.478 1.00 0.00 C ATOM 1290 CG PHE A 85 -0.209 0.160 -3.390 1.00 0.00 C ATOM 1291 CD1 PHE A 85 -0.015 1.526 -3.260 1.00 0.00 C ATOM 1292 CD2 PHE A 85 0.486 -0.521 -4.376 1.00 0.00 C ATOM 1293 CE1 PHE A 85 0.854 2.199 -4.099 1.00 0.00 C ATOM 1294 CE2 PHE A 85 1.357 0.146 -5.217 1.00 0.00 C ATOM 1295 CZ PHE A 85 1.542 1.508 -5.077 1.00 0.00 C ATOM 0 H PHE A 85 -2.880 0.964 -0.808 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.818 0.137 -3.640 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.823 -0.441 -1.447 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.111 -1.635 -2.698 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.548 2.071 -2.495 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.346 -1.586 -4.489 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.995 3.264 -3.990 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.892 -0.397 -5.982 1.00 0.00 H new ATOM 0 HZ PHE A 85 2.223 2.031 -5.731 1.00 0.00 H new ATOM 1305 N VAL A 86 -4.416 -1.642 -3.050 1.00 0.00 N ATOM 1306 CA VAL A 86 -5.375 -2.696 -2.744 1.00 0.00 C ATOM 1307 C VAL A 86 -4.999 -4.000 -3.438 1.00 0.00 C ATOM 1308 O VAL A 86 -4.845 -4.044 -4.658 1.00 0.00 O ATOM 1309 CB VAL A 86 -6.802 -2.296 -3.164 1.00 0.00 C ATOM 1310 CG1 VAL A 86 -7.769 -3.448 -2.935 1.00 0.00 C ATOM 1311 CG2 VAL A 86 -7.251 -1.054 -2.410 1.00 0.00 C ATOM 0 H VAL A 86 -4.471 -1.287 -4.004 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.350 -2.843 -1.664 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.797 -2.064 -4.229 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.772 -3.147 -3.237 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.455 -4.309 -3.525 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -7.773 -3.715 -1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.261 -0.786 -2.719 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.241 -1.255 -1.339 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -6.573 -0.229 -2.631 1.00 0.00 H new ATOM 1321 N ASN A 87 -4.854 -5.062 -2.652 1.00 0.00 N ATOM 1322 CA ASN A 87 -4.496 -6.369 -3.191 1.00 0.00 C ATOM 1323 C ASN A 87 -3.285 -6.264 -4.113 1.00 0.00 C ATOM 1324 O ASN A 87 -3.160 -7.015 -5.080 1.00 0.00 O ATOM 1325 CB ASN A 87 -5.679 -6.972 -3.951 1.00 0.00 C ATOM 1326 CG ASN A 87 -5.677 -8.488 -3.915 1.00 0.00 C ATOM 1327 OD1 ASN A 87 -4.744 -9.131 -4.396 1.00 0.00 O ATOM 1328 ND2 ASN A 87 -6.727 -9.067 -3.343 1.00 0.00 N ATOM 0 H ASN A 87 -4.979 -5.043 -1.640 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.239 -7.021 -2.356 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -6.610 -6.602 -3.521 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -5.651 -6.636 -4.987 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.782 -10.084 -3.290 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.478 -8.494 -2.957 1.00 0.00 H new ATOM 1335 N GLY A 88 -2.394 -5.325 -3.807 1.00 0.00 N ATOM 1336 CA GLY A 88 -1.204 -5.139 -4.617 1.00 0.00 C ATOM 1337 C GLY A 88 -1.505 -4.472 -5.944 1.00 0.00 C ATOM 1338 O GLY A 88 -0.966 -4.861 -6.981 1.00 0.00 O ATOM 0 H GLY A 88 -2.475 -4.690 -3.013 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.483 -4.535 -4.065 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.736 -6.107 -4.798 1.00 0.00 H new ATOM 1342 N THR A 89 -2.371 -3.463 -5.915 1.00 0.00 N ATOM 1343 CA THR A 89 -2.746 -2.742 -7.125 1.00 0.00 C ATOM 1344 C THR A 89 -3.096 -1.291 -6.814 1.00 0.00 C ATOM 1345 O THR A 89 -3.839 -1.009 -5.874 1.00 0.00 O ATOM 1346 CB THR A 89 -3.944 -3.408 -7.827 1.00 0.00 C ATOM 1347 OG1 THR A 89 -3.583 -4.720 -8.275 1.00 0.00 O ATOM 1348 CG2 THR A 89 -4.410 -2.573 -9.011 1.00 0.00 C ATOM 0 H THR A 89 -2.826 -3.127 -5.066 1.00 0.00 H new ATOM 0 HA THR A 89 -1.883 -2.770 -7.790 1.00 0.00 H new ATOM 0 HB THR A 89 -4.762 -3.482 -7.110 1.00 0.00 H new ATOM 0 HG1 THR A 89 -4.351 -5.137 -8.719 1.00 0.00 H new ATOM 0 HG21 THR A 89 -5.257 -3.063 -9.491 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.712 -1.585 -8.663 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.595 -2.472 -9.728 1.00 0.00 H new ATOM 1356 N PHE A 90 -2.556 -0.374 -7.610 1.00 0.00 N ATOM 1357 CA PHE A 90 -2.811 1.049 -7.420 1.00 0.00 C ATOM 1358 C PHE A 90 -4.186 1.432 -7.960 1.00 0.00 C ATOM 1359 O PHE A 90 -4.321 1.831 -9.117 1.00 0.00 O ATOM 1360 CB PHE A 90 -1.729 1.880 -8.112 1.00 0.00 C ATOM 1361 CG PHE A 90 -1.668 3.303 -7.635 1.00 0.00 C ATOM 1362 CD1 PHE A 90 -2.505 4.265 -8.176 1.00 0.00 C ATOM 1363 CD2 PHE A 90 -0.775 3.678 -6.645 1.00 0.00 C ATOM 1364 CE1 PHE A 90 -2.451 5.575 -7.739 1.00 0.00 C ATOM 1365 CE2 PHE A 90 -0.716 4.986 -6.203 1.00 0.00 C ATOM 1366 CZ PHE A 90 -1.556 5.936 -6.751 1.00 0.00 C ATOM 0 H PHE A 90 -1.939 -0.591 -8.393 1.00 0.00 H new ATOM 0 HA PHE A 90 -2.790 1.257 -6.350 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.760 1.409 -7.948 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.909 1.873 -9.187 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.208 3.988 -8.948 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.117 2.939 -6.213 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.108 6.316 -8.170 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.015 5.265 -5.431 1.00 0.00 H new ATOM 0 HZ PHE A 90 -1.513 6.959 -6.407 1.00 0.00 H new ATOM 1376 N ILE A 91 -5.203 1.307 -7.114 1.00 0.00 N ATOM 1377 CA ILE A 91 -6.567 1.640 -7.505 1.00 0.00 C ATOM 1378 C ILE A 91 -6.725 3.141 -7.723 1.00 0.00 C ATOM 1379 O ILE A 91 -7.614 3.583 -8.449 1.00 0.00 O ATOM 1380 CB ILE A 91 -7.585 1.176 -6.447 1.00 0.00 C ATOM 1381 CG1 ILE A 91 -7.464 2.029 -5.183 1.00 0.00 C ATOM 1382 CG2 ILE A 91 -7.378 -0.295 -6.122 1.00 0.00 C ATOM 1383 CD1 ILE A 91 -6.207 1.754 -4.387 1.00 0.00 C ATOM 0 H ILE A 91 -5.108 0.978 -6.153 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.764 1.117 -8.441 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.589 1.300 -6.852 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.485 3.083 -5.462 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.332 1.850 -4.549 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.105 -0.608 -5.373 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.510 -0.889 -7.026 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.370 -0.444 -5.734 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -6.188 2.394 -3.505 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.194 0.709 -4.077 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.333 1.961 -5.004 1.00 0.00 H new ATOM 1395 N GLY A 92 -5.854 3.921 -7.091 1.00 0.00 N ATOM 1396 CA GLY A 92 -5.912 5.364 -7.230 1.00 0.00 C ATOM 1397 C GLY A 92 -5.340 6.086 -6.026 1.00 0.00 C ATOM 1398 O GLY A 92 -5.313 5.543 -4.922 1.00 0.00 O ATOM 0 H GLY A 92 -5.109 3.579 -6.485 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.363 5.662 -8.123 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.948 5.671 -7.375 1.00 0.00 H new ATOM 1402 N GLY A 93 -4.880 7.315 -6.238 1.00 0.00 N ATOM 1403 CA GLY A 93 -4.310 8.092 -5.153 1.00 0.00 C ATOM 1404 C GLY A 93 -5.318 8.387 -4.059 1.00 0.00 C ATOM 1405 O GLY A 93 -6.437 7.875 -4.084 1.00 0.00 O ATOM 0 H GLY A 93 -4.892 7.787 -7.142 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.465 7.551 -4.728 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.921 9.031 -5.548 1.00 0.00 H new ATOM 1409 N ALA A 94 -4.920 9.212 -3.097 1.00 0.00 N ATOM 1410 CA ALA A 94 -5.797 9.574 -1.990 1.00 0.00 C ATOM 1411 C ALA A 94 -7.163 10.025 -2.496 1.00 0.00 C ATOM 1412 O ALA A 94 -8.190 9.439 -2.151 1.00 0.00 O ATOM 1413 CB ALA A 94 -5.158 10.666 -1.146 1.00 0.00 C ATOM 0 H ALA A 94 -3.996 9.643 -3.061 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.943 8.689 -1.370 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.824 10.926 -0.323 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.209 10.308 -0.746 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.982 11.547 -1.763 1.00 0.00 H new ATOM 1419 N THR A 95 -7.169 11.071 -3.317 1.00 0.00 N ATOM 1420 CA THR A 95 -8.408 11.602 -3.869 1.00 0.00 C ATOM 1421 C THR A 95 -9.176 10.528 -4.631 1.00 0.00 C ATOM 1422 O THR A 95 -10.359 10.301 -4.380 1.00 0.00 O ATOM 1423 CB THR A 95 -8.140 12.791 -4.811 1.00 0.00 C ATOM 1424 OG1 THR A 95 -7.334 13.770 -4.147 1.00 0.00 O ATOM 1425 CG2 THR A 95 -9.445 13.426 -5.267 1.00 0.00 C ATOM 0 H THR A 95 -6.329 11.567 -3.614 1.00 0.00 H new ATOM 0 HA THR A 95 -9.008 11.944 -3.026 1.00 0.00 H new ATOM 0 HB THR A 95 -7.610 12.419 -5.688 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.167 14.522 -4.753 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.230 14.263 -5.931 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.044 12.686 -5.798 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.998 13.784 -4.399 1.00 0.00 H new ATOM 1433 N ASP A 96 -8.494 9.869 -5.562 1.00 0.00 N ATOM 1434 CA ASP A 96 -9.112 8.816 -6.360 1.00 0.00 C ATOM 1435 C ASP A 96 -9.772 7.772 -5.464 1.00 0.00 C ATOM 1436 O ASP A 96 -10.993 7.609 -5.478 1.00 0.00 O ATOM 1437 CB ASP A 96 -8.069 8.149 -7.258 1.00 0.00 C ATOM 1438 CG ASP A 96 -7.682 9.017 -8.439 1.00 0.00 C ATOM 1439 OD1 ASP A 96 -7.178 10.136 -8.213 1.00 0.00 O ATOM 1440 OD2 ASP A 96 -7.885 8.576 -9.591 1.00 0.00 O ATOM 0 H ASP A 96 -7.514 10.045 -5.782 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.881 9.271 -6.985 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -7.179 7.922 -6.670 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.461 7.199 -7.622 1.00 0.00 H new ATOM 1445 N THR A 97 -8.958 7.066 -4.686 1.00 0.00 N ATOM 1446 CA THR A 97 -9.462 6.037 -3.786 1.00 0.00 C ATOM 1447 C THR A 97 -10.760 6.478 -3.119 1.00 0.00 C ATOM 1448 O THR A 97 -11.729 5.720 -3.062 1.00 0.00 O ATOM 1449 CB THR A 97 -8.431 5.689 -2.696 1.00 0.00 C ATOM 1450 OG1 THR A 97 -7.248 5.148 -3.296 1.00 0.00 O ATOM 1451 CG2 THR A 97 -9.006 4.688 -1.706 1.00 0.00 C ATOM 0 H THR A 97 -7.946 7.188 -4.661 1.00 0.00 H new ATOM 0 HA THR A 97 -9.651 5.152 -4.393 1.00 0.00 H new ATOM 0 HB THR A 97 -8.181 6.604 -2.159 1.00 0.00 H new ATOM 0 HG1 THR A 97 -6.777 5.854 -3.786 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.259 4.458 -0.946 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.889 5.114 -1.230 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.282 3.774 -2.232 1.00 0.00 H new ATOM 1459 N HIS A 98 -10.773 7.708 -2.616 1.00 0.00 N ATOM 1460 CA HIS A 98 -11.954 8.250 -1.953 1.00 0.00 C ATOM 1461 C HIS A 98 -13.168 8.196 -2.876 1.00 0.00 C ATOM 1462 O HIS A 98 -14.251 7.775 -2.469 1.00 0.00 O ATOM 1463 CB HIS A 98 -11.700 9.691 -1.510 1.00 0.00 C ATOM 1464 CG HIS A 98 -12.899 10.351 -0.903 1.00 0.00 C ATOM 1465 ND1 HIS A 98 -13.914 9.649 -0.288 1.00 0.00 N ATOM 1466 CD2 HIS A 98 -13.242 11.658 -0.817 1.00 0.00 C ATOM 1467 CE1 HIS A 98 -14.830 10.495 0.149 1.00 0.00 C ATOM 1468 NE2 HIS A 98 -14.446 11.721 -0.159 1.00 0.00 N ATOM 0 H HIS A 98 -9.980 8.348 -2.655 1.00 0.00 H new ATOM 0 HA HIS A 98 -12.160 7.638 -1.074 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -10.885 9.702 -0.787 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -11.371 10.274 -2.370 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -12.674 12.495 -1.195 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -15.738 10.229 0.670 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -14.960 12.575 0.057 1.00 0.00 H new ATOM 1476 N ARG A 99 -12.979 8.624 -4.120 1.00 0.00 N ATOM 1477 CA ARG A 99 -14.059 8.626 -5.100 1.00 0.00 C ATOM 1478 C ARG A 99 -14.547 7.207 -5.374 1.00 0.00 C ATOM 1479 O ARG A 99 -15.748 6.937 -5.354 1.00 0.00 O ATOM 1480 CB ARG A 99 -13.592 9.277 -6.403 1.00 0.00 C ATOM 1481 CG ARG A 99 -14.721 9.891 -7.215 1.00 0.00 C ATOM 1482 CD ARG A 99 -14.374 9.950 -8.695 1.00 0.00 C ATOM 1483 NE ARG A 99 -15.351 10.725 -9.455 1.00 0.00 N ATOM 1484 CZ ARG A 99 -15.356 12.052 -9.508 1.00 0.00 C ATOM 1485 NH1 ARG A 99 -14.441 12.748 -8.847 1.00 0.00 N ATOM 1486 NH2 ARG A 99 -16.278 12.686 -10.222 1.00 0.00 N ATOM 0 H ARG A 99 -12.088 8.974 -4.473 1.00 0.00 H new ATOM 0 HA ARG A 99 -14.887 9.203 -4.690 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -12.860 10.051 -6.171 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -13.083 8.529 -7.011 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -15.630 9.306 -7.076 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -14.929 10.896 -6.849 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -13.385 10.392 -8.818 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -14.323 8.938 -9.096 1.00 0.00 H new ATOM 0 HE ARG A 99 -16.069 10.219 -9.974 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -13.732 12.264 -8.297 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -14.447 13.767 -8.889 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -16.984 12.154 -10.731 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -16.281 13.705 -10.262 1.00 0.00 H new ATOM 1500 N LEU A 100 -13.607 6.303 -5.631 1.00 0.00 N ATOM 1501 CA LEU A 100 -13.941 4.911 -5.910 1.00 0.00 C ATOM 1502 C LEU A 100 -15.007 4.402 -4.945 1.00 0.00 C ATOM 1503 O LEU A 100 -16.063 3.927 -5.364 1.00 0.00 O ATOM 1504 CB LEU A 100 -12.689 4.036 -5.812 1.00 0.00 C ATOM 1505 CG LEU A 100 -11.578 4.340 -6.817 1.00 0.00 C ATOM 1506 CD1 LEU A 100 -10.360 3.471 -6.545 1.00 0.00 C ATOM 1507 CD2 LEU A 100 -12.075 4.133 -8.241 1.00 0.00 C ATOM 0 H LEU A 100 -12.608 6.509 -5.652 1.00 0.00 H new ATOM 0 HA LEU A 100 -14.338 4.855 -6.923 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.279 4.134 -4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -12.987 2.995 -5.934 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.287 5.384 -6.703 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.579 3.701 -7.270 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.990 3.668 -5.539 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.636 2.420 -6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.271 4.354 -8.943 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.394 3.098 -8.368 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -12.917 4.798 -8.433 1.00 0.00 H new ATOM 1519 N HIS A 101 -14.724 4.507 -3.650 1.00 0.00 N ATOM 1520 CA HIS A 101 -15.660 4.060 -2.625 1.00 0.00 C ATOM 1521 C HIS A 101 -17.063 4.592 -2.901 1.00 0.00 C ATOM 1522 O HIS A 101 -18.042 3.847 -2.852 1.00 0.00 O ATOM 1523 CB HIS A 101 -15.192 4.517 -1.243 1.00 0.00 C ATOM 1524 CG HIS A 101 -16.119 4.121 -0.135 1.00 0.00 C ATOM 1525 ND1 HIS A 101 -16.338 2.810 0.231 1.00 0.00 N ATOM 1526 CD2 HIS A 101 -16.885 4.873 0.690 1.00 0.00 C ATOM 1527 CE1 HIS A 101 -17.200 2.772 1.232 1.00 0.00 C ATOM 1528 NE2 HIS A 101 -17.547 4.011 1.529 1.00 0.00 N ATOM 0 H HIS A 101 -13.855 4.897 -3.286 1.00 0.00 H new ATOM 0 HA HIS A 101 -15.692 2.971 -2.648 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -14.205 4.099 -1.046 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -15.084 5.602 -1.245 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -16.961 5.950 0.688 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -17.559 1.880 1.723 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -18.201 4.284 2.263 1.00 0.00 H new ATOM 1536 N LYS A 102 -17.154 5.885 -3.190 1.00 0.00 N ATOM 1537 CA LYS A 102 -18.436 6.518 -3.475 1.00 0.00 C ATOM 1538 C LYS A 102 -19.184 5.764 -4.569 1.00 0.00 C ATOM 1539 O LYS A 102 -20.241 5.184 -4.324 1.00 0.00 O ATOM 1540 CB LYS A 102 -18.227 7.975 -3.897 1.00 0.00 C ATOM 1541 CG LYS A 102 -17.489 8.807 -2.863 1.00 0.00 C ATOM 1542 CD LYS A 102 -17.846 10.280 -2.974 1.00 0.00 C ATOM 1543 CE LYS A 102 -17.691 10.993 -1.640 1.00 0.00 C ATOM 1544 NZ LYS A 102 -18.537 12.216 -1.563 1.00 0.00 N ATOM 0 H LYS A 102 -16.354 6.516 -3.233 1.00 0.00 H new ATOM 0 HA LYS A 102 -19.035 6.492 -2.565 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -17.670 7.997 -4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -19.198 8.431 -4.093 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -17.733 8.447 -1.864 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -16.414 8.681 -2.993 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -17.207 10.755 -3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -18.873 10.381 -3.325 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -17.961 10.313 -0.832 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -16.646 11.265 -1.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -18.403 12.673 -0.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -18.263 12.876 -2.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -19.537 11.954 -1.678 1.00 0.00 H new ATOM 1558 N GLU A 103 -18.628 5.775 -5.777 1.00 0.00 N ATOM 1559 CA GLU A 103 -19.244 5.091 -6.908 1.00 0.00 C ATOM 1560 C GLU A 103 -19.407 3.601 -6.619 1.00 0.00 C ATOM 1561 O GLU A 103 -20.300 2.948 -7.156 1.00 0.00 O ATOM 1562 CB GLU A 103 -18.403 5.288 -8.171 1.00 0.00 C ATOM 1563 CG GLU A 103 -18.579 6.653 -8.813 1.00 0.00 C ATOM 1564 CD GLU A 103 -19.694 6.675 -9.841 1.00 0.00 C ATOM 1565 OE1 GLU A 103 -19.786 5.716 -10.636 1.00 0.00 O ATOM 1566 OE2 GLU A 103 -20.474 7.650 -9.850 1.00 0.00 O ATOM 0 H GLU A 103 -17.753 6.250 -5.997 1.00 0.00 H new ATOM 0 HA GLU A 103 -20.232 5.523 -7.067 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -17.351 5.146 -7.923 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -18.666 4.518 -8.896 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -18.790 7.390 -8.038 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -17.645 6.949 -9.290 1.00 0.00 H new ATOM 1573 N GLY A 104 -18.536 3.071 -5.765 1.00 0.00 N ATOM 1574 CA GLY A 104 -18.599 1.663 -5.420 1.00 0.00 C ATOM 1575 C GLY A 104 -17.567 0.837 -6.161 1.00 0.00 C ATOM 1576 O GLY A 104 -17.890 -0.199 -6.743 1.00 0.00 O ATOM 0 H GLY A 104 -17.788 3.592 -5.306 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -18.449 1.548 -4.347 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -19.595 1.281 -5.645 1.00 0.00 H new ATOM 1580 N LYS A 105 -16.320 1.296 -6.143 1.00 0.00 N ATOM 1581 CA LYS A 105 -15.236 0.594 -6.819 1.00 0.00 C ATOM 1582 C LYS A 105 -14.072 0.344 -5.865 1.00 0.00 C ATOM 1583 O LYS A 105 -13.035 -0.192 -6.261 1.00 0.00 O ATOM 1584 CB LYS A 105 -14.754 1.399 -8.028 1.00 0.00 C ATOM 1585 CG LYS A 105 -15.793 1.523 -9.129 1.00 0.00 C ATOM 1586 CD LYS A 105 -15.540 2.743 -9.999 1.00 0.00 C ATOM 1587 CE LYS A 105 -16.551 2.838 -11.132 1.00 0.00 C ATOM 1588 NZ LYS A 105 -16.112 2.075 -12.333 1.00 0.00 N ATOM 0 H LYS A 105 -16.035 2.152 -5.667 1.00 0.00 H new ATOM 0 HA LYS A 105 -15.617 -0.368 -7.160 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -14.466 2.397 -7.698 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -13.860 0.927 -8.435 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -15.779 0.625 -9.747 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -16.787 1.590 -8.687 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -15.591 3.644 -9.388 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.532 2.694 -10.412 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -17.514 2.457 -10.792 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -16.698 3.884 -11.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.828 2.165 -13.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.205 2.454 -12.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.996 1.072 -12.084 1.00 0.00 H new ATOM 1602 N LEU A 106 -14.250 0.733 -4.607 1.00 0.00 N ATOM 1603 CA LEU A 106 -13.214 0.549 -3.596 1.00 0.00 C ATOM 1604 C LEU A 106 -13.534 -0.642 -2.699 1.00 0.00 C ATOM 1605 O LEU A 106 -12.729 -1.564 -2.563 1.00 0.00 O ATOM 1606 CB LEU A 106 -13.070 1.815 -2.749 1.00 0.00 C ATOM 1607 CG LEU A 106 -11.856 1.868 -1.821 1.00 0.00 C ATOM 1608 CD1 LEU A 106 -11.814 3.191 -1.072 1.00 0.00 C ATOM 1609 CD2 LEU A 106 -11.880 0.700 -0.845 1.00 0.00 C ATOM 0 H LEU A 106 -15.101 1.177 -4.263 1.00 0.00 H new ATOM 0 HA LEU A 106 -12.272 0.352 -4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -13.027 2.673 -3.419 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -13.970 1.927 -2.144 1.00 0.00 H new ATOM 0 HG LEU A 106 -10.954 1.790 -2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.943 3.211 -0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -11.749 4.012 -1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -12.720 3.300 -0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -11.009 0.753 -0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -12.788 0.747 -0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -11.861 -0.238 -1.400 1.00 0.00 H new ATOM 1621 N LEU A 107 -14.715 -0.618 -2.091 1.00 0.00 N ATOM 1622 CA LEU A 107 -15.143 -1.697 -1.208 1.00 0.00 C ATOM 1623 C LEU A 107 -15.109 -3.039 -1.933 1.00 0.00 C ATOM 1624 O LEU A 107 -14.665 -4.053 -1.393 1.00 0.00 O ATOM 1625 CB LEU A 107 -16.554 -1.424 -0.683 1.00 0.00 C ATOM 1626 CG LEU A 107 -16.934 -2.131 0.619 1.00 0.00 C ATOM 1627 CD1 LEU A 107 -17.231 -3.600 0.361 1.00 0.00 C ATOM 1628 CD2 LEU A 107 -15.825 -1.981 1.650 1.00 0.00 C ATOM 0 H LEU A 107 -15.393 0.137 -2.193 1.00 0.00 H new ATOM 0 HA LEU A 107 -14.451 -1.741 -0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -16.664 -0.350 -0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -17.269 -1.714 -1.453 1.00 0.00 H new ATOM 0 HG LEU A 107 -17.836 -1.664 1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -17.499 -4.087 1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -18.059 -3.686 -0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -16.348 -4.082 -0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -16.112 -2.490 2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -14.906 -2.422 1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -15.661 -0.923 1.857 1.00 0.00 H new ATOM 1640 N PRO A 108 -15.588 -3.048 -3.186 1.00 0.00 N ATOM 1641 CA PRO A 108 -15.621 -4.258 -4.012 1.00 0.00 C ATOM 1642 C PRO A 108 -14.291 -5.005 -4.000 1.00 0.00 C ATOM 1643 O PRO A 108 -14.254 -6.229 -4.131 1.00 0.00 O ATOM 1644 CB PRO A 108 -15.920 -3.721 -5.415 1.00 0.00 C ATOM 1645 CG PRO A 108 -16.642 -2.439 -5.184 1.00 0.00 C ATOM 1646 CD PRO A 108 -16.134 -1.876 -3.892 1.00 0.00 C ATOM 0 HA PRO A 108 -16.355 -4.979 -3.651 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -15.003 -3.562 -5.982 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -16.530 -4.422 -5.985 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -16.464 -1.743 -6.004 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -17.718 -2.606 -5.135 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -15.369 -1.118 -4.060 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -16.932 -1.402 -3.321 1.00 0.00 H new ATOM 1654 N LEU A 109 -13.202 -4.261 -3.840 1.00 0.00 N ATOM 1655 CA LEU A 109 -11.869 -4.853 -3.810 1.00 0.00 C ATOM 1656 C LEU A 109 -11.455 -5.188 -2.380 1.00 0.00 C ATOM 1657 O LEU A 109 -10.708 -6.138 -2.146 1.00 0.00 O ATOM 1658 CB LEU A 109 -10.852 -3.900 -4.438 1.00 0.00 C ATOM 1659 CG LEU A 109 -11.261 -3.261 -5.766 1.00 0.00 C ATOM 1660 CD1 LEU A 109 -10.482 -1.976 -6.002 1.00 0.00 C ATOM 1661 CD2 LEU A 109 -11.048 -4.235 -6.915 1.00 0.00 C ATOM 0 H LEU A 109 -13.216 -3.247 -3.729 1.00 0.00 H new ATOM 0 HA LEU A 109 -11.895 -5.777 -4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.642 -3.104 -3.724 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -9.920 -4.445 -4.592 1.00 0.00 H new ATOM 0 HG LEU A 109 -12.322 -3.015 -5.717 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.786 -1.535 -6.951 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.686 -1.273 -5.194 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.415 -2.197 -6.030 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -11.344 -3.763 -7.852 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -9.995 -4.513 -6.966 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.652 -5.128 -6.752 1.00 0.00 H new ATOM 1673 N VAL A 110 -11.946 -4.402 -1.428 1.00 0.00 N ATOM 1674 CA VAL A 110 -11.629 -4.617 -0.021 1.00 0.00 C ATOM 1675 C VAL A 110 -12.104 -5.988 0.446 1.00 0.00 C ATOM 1676 O VAL A 110 -11.360 -6.727 1.092 1.00 0.00 O ATOM 1677 CB VAL A 110 -12.268 -3.534 0.870 1.00 0.00 C ATOM 1678 CG1 VAL A 110 -12.059 -3.861 2.340 1.00 0.00 C ATOM 1679 CG2 VAL A 110 -11.699 -2.164 0.533 1.00 0.00 C ATOM 0 H VAL A 110 -12.565 -3.611 -1.605 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.544 -4.560 0.071 1.00 0.00 H new ATOM 0 HB VAL A 110 -13.340 -3.514 0.676 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -12.517 -3.085 2.954 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -12.519 -4.823 2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -10.991 -3.910 2.554 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -12.161 -1.411 1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -10.621 -2.167 0.697 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -11.906 -1.931 -0.511 1.00 0.00 H new ATOM 1689 N HIS A 111 -13.346 -6.323 0.114 1.00 0.00 N ATOM 1690 CA HIS A 111 -13.920 -7.608 0.499 1.00 0.00 C ATOM 1691 C HIS A 111 -13.125 -8.761 -0.106 1.00 0.00 C ATOM 1692 O HIS A 111 -12.886 -9.773 0.552 1.00 0.00 O ATOM 1693 CB HIS A 111 -15.381 -7.692 0.053 1.00 0.00 C ATOM 1694 CG HIS A 111 -16.334 -7.024 0.996 1.00 0.00 C ATOM 1695 ND1 HIS A 111 -17.605 -6.635 0.631 1.00 0.00 N ATOM 1696 CD2 HIS A 111 -16.196 -6.679 2.298 1.00 0.00 C ATOM 1697 CE1 HIS A 111 -18.207 -6.078 1.666 1.00 0.00 C ATOM 1698 NE2 HIS A 111 -17.373 -6.093 2.691 1.00 0.00 N ATOM 0 H HIS A 111 -13.975 -5.723 -0.420 1.00 0.00 H new ATOM 0 HA HIS A 111 -13.874 -7.688 1.585 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -15.478 -7.236 -0.932 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -15.661 -8.740 -0.051 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -15.322 -6.836 2.913 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -19.210 -5.678 1.674 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -17.572 -5.728 3.623 1.00 0.00 H new ATOM 1706 N GLN A 112 -12.719 -8.600 -1.361 1.00 0.00 N ATOM 1707 CA GLN A 112 -11.952 -9.629 -2.053 1.00 0.00 C ATOM 1708 C GLN A 112 -10.830 -10.160 -1.167 1.00 0.00 C ATOM 1709 O GLN A 112 -10.485 -11.340 -1.225 1.00 0.00 O ATOM 1710 CB GLN A 112 -11.371 -9.073 -3.354 1.00 0.00 C ATOM 1711 CG GLN A 112 -12.306 -9.207 -4.545 1.00 0.00 C ATOM 1712 CD GLN A 112 -12.185 -10.552 -5.233 1.00 0.00 C ATOM 1713 OE1 GLN A 112 -12.892 -11.502 -4.894 1.00 0.00 O ATOM 1714 NE2 GLN A 112 -11.286 -10.641 -6.206 1.00 0.00 N ATOM 0 H GLN A 112 -12.908 -7.767 -1.919 1.00 0.00 H new ATOM 0 HA GLN A 112 -12.626 -10.453 -2.287 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.126 -8.020 -3.212 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.438 -9.591 -3.576 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -13.334 -9.064 -4.213 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -12.090 -8.415 -5.262 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -10.721 -9.829 -6.454 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -11.160 -11.522 -6.705 1.00 0.00 H new ATOM 1723 N CYS A 113 -10.263 -9.280 -0.348 1.00 0.00 N ATOM 1724 CA CYS A 113 -9.179 -9.659 0.550 1.00 0.00 C ATOM 1725 C CYS A 113 -9.577 -10.857 1.408 1.00 0.00 C ATOM 1726 O CYS A 113 -8.784 -11.775 1.617 1.00 0.00 O ATOM 1727 CB CYS A 113 -8.795 -8.480 1.446 1.00 0.00 C ATOM 1728 SG CYS A 113 -7.370 -8.806 2.533 1.00 0.00 S ATOM 0 H CYS A 113 -10.537 -8.299 -0.288 1.00 0.00 H new ATOM 0 HA CYS A 113 -8.319 -9.940 -0.057 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -8.570 -7.618 0.818 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -9.653 -8.210 2.061 1.00 0.00 H new