USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 593 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 Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 155:sc= 1.32 (180deg=1.1) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.204 K(o=-0.2,f=-0.92) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 41 HIS :FLIP no HE2:sc= 0.182 F(o=-0.68,f=0.18) USER MOD Single : A 51 HIS : no HD1:sc= -0.814 K(o=-0.81,f=-5!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 CYS SG : rot 72:sc= 1.16 USER MOD Single : A 61 SER OG : rot 77:sc= 0.985 USER MOD Single : A 63 MET CE :methyl 135:sc= -0.151 (180deg=-1.55) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -79:sc= -0.476 USER MOD Single : A 81 GLN : amide:sc= -0.063 K(o=-0.063,f=-0.89) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 156:sc= -0.192 (180deg=-0.873) USER MOD ----------------------------------------------------------------- ATOM 148 N ASP A 10 -11.602 8.942 7.299 1.00 0.00 N ATOM 149 CA ASP A 10 -10.989 7.997 8.220 1.00 0.00 C ATOM 150 C ASP A 10 -11.433 6.601 7.821 1.00 0.00 C ATOM 151 O ASP A 10 -12.304 5.996 8.445 1.00 0.00 O ATOM 152 CB ASP A 10 -11.380 8.306 9.672 1.00 0.00 C ATOM 153 CG ASP A 10 -10.779 7.333 10.675 1.00 0.00 C ATOM 154 OD1 ASP A 10 -9.599 6.950 10.512 1.00 0.00 O ATOM 155 OD2 ASP A 10 -11.487 6.953 11.636 1.00 0.00 O ATOM 0 HA ASP A 10 -9.903 8.074 8.164 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.059 9.318 9.920 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -12.466 8.285 9.761 1.00 0.00 H new ATOM 160 N VAL A 11 -10.860 6.125 6.729 1.00 0.00 N ATOM 161 CA VAL A 11 -11.298 4.892 6.114 1.00 0.00 C ATOM 162 C VAL A 11 -10.424 3.733 6.562 1.00 0.00 C ATOM 163 O VAL A 11 -9.192 3.783 6.481 1.00 0.00 O ATOM 164 CB VAL A 11 -11.307 5.007 4.568 1.00 0.00 C ATOM 165 CG1 VAL A 11 -9.954 5.456 4.043 1.00 0.00 C ATOM 166 CG2 VAL A 11 -11.725 3.693 3.924 1.00 0.00 C ATOM 0 H VAL A 11 -10.084 6.581 6.249 1.00 0.00 H new ATOM 0 HA VAL A 11 -12.321 4.700 6.439 1.00 0.00 H new ATOM 0 HB VAL A 11 -12.042 5.766 4.298 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.991 5.528 2.956 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.706 6.431 4.463 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.193 4.732 4.333 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.723 3.802 2.840 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.025 2.908 4.211 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -12.727 3.426 4.260 1.00 0.00 H new ATOM 176 N LYS A 12 -11.069 2.702 7.065 1.00 0.00 N ATOM 177 CA LYS A 12 -10.368 1.540 7.557 1.00 0.00 C ATOM 178 C LYS A 12 -10.663 0.354 6.655 1.00 0.00 C ATOM 179 O LYS A 12 -11.655 0.358 5.925 1.00 0.00 O ATOM 180 CB LYS A 12 -10.785 1.257 9.000 1.00 0.00 C ATOM 181 CG LYS A 12 -10.547 2.445 9.916 1.00 0.00 C ATOM 182 CD LYS A 12 -11.126 2.228 11.300 1.00 0.00 C ATOM 183 CE LYS A 12 -10.997 3.486 12.138 1.00 0.00 C ATOM 184 NZ LYS A 12 -11.617 3.338 13.478 1.00 0.00 N ATOM 0 H LYS A 12 -12.085 2.647 7.143 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.293 1.722 7.546 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.841 0.989 9.024 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.230 0.397 9.374 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.476 2.630 9.997 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.992 3.337 9.474 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.175 1.944 11.220 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.609 1.403 11.791 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.942 3.736 12.254 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.466 4.319 11.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.503 4.223 14.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.629 3.126 13.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.153 2.561 13.991 1.00 0.00 H new ATOM 198 N TRP A 13 -9.808 -0.650 6.693 1.00 0.00 N ATOM 199 CA TRP A 13 -9.937 -1.768 5.783 1.00 0.00 C ATOM 200 C TRP A 13 -10.835 -2.859 6.331 1.00 0.00 C ATOM 201 O TRP A 13 -10.742 -3.242 7.497 1.00 0.00 O ATOM 202 CB TRP A 13 -8.572 -2.341 5.419 1.00 0.00 C ATOM 203 CG TRP A 13 -8.158 -1.950 4.040 1.00 0.00 C ATOM 204 CD1 TRP A 13 -8.900 -2.101 2.908 1.00 0.00 C ATOM 205 CD2 TRP A 13 -6.923 -1.351 3.640 1.00 0.00 C ATOM 206 NE1 TRP A 13 -8.213 -1.622 1.827 1.00 0.00 N ATOM 207 CE2 TRP A 13 -6.991 -1.160 2.246 1.00 0.00 C ATOM 208 CE3 TRP A 13 -5.769 -0.957 4.320 1.00 0.00 C ATOM 209 CZ2 TRP A 13 -5.946 -0.591 1.521 1.00 0.00 C ATOM 210 CZ3 TRP A 13 -4.734 -0.393 3.600 1.00 0.00 C ATOM 211 CH2 TRP A 13 -4.828 -0.215 2.214 1.00 0.00 C ATOM 0 H TRP A 13 -9.022 -0.713 7.340 1.00 0.00 H new ATOM 0 HA TRP A 13 -10.408 -1.380 4.880 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.828 -1.991 6.135 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -8.602 -3.428 5.495 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -9.888 -2.536 2.870 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -8.554 -1.610 0.866 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -5.687 -1.091 5.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -6.016 -0.452 0.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -3.836 -0.084 4.115 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -4.000 0.229 1.681 1.00 0.00 H new ATOM 222 N GLU A 14 -11.708 -3.348 5.460 1.00 0.00 N ATOM 223 CA GLU A 14 -12.592 -4.459 5.783 1.00 0.00 C ATOM 224 C GLU A 14 -11.771 -5.739 5.853 1.00 0.00 C ATOM 225 O GLU A 14 -12.088 -6.678 6.587 1.00 0.00 O ATOM 226 CB GLU A 14 -13.671 -4.571 4.706 1.00 0.00 C ATOM 227 CG GLU A 14 -14.352 -3.246 4.410 1.00 0.00 C ATOM 228 CD GLU A 14 -15.242 -3.305 3.191 1.00 0.00 C ATOM 229 OE1 GLU A 14 -14.734 -3.099 2.069 1.00 0.00 O ATOM 230 OE2 GLU A 14 -16.457 -3.548 3.351 1.00 0.00 O ATOM 0 H GLU A 14 -11.823 -2.987 4.513 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.074 -4.294 6.746 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.224 -4.956 3.790 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.421 -5.296 5.024 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -14.946 -2.947 5.274 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.593 -2.477 4.263 1.00 0.00 H new ATOM 237 N LYS A 15 -10.708 -5.752 5.067 1.00 0.00 N ATOM 238 CA LYS A 15 -9.727 -6.819 5.086 1.00 0.00 C ATOM 239 C LYS A 15 -8.340 -6.209 5.220 1.00 0.00 C ATOM 240 O LYS A 15 -7.810 -5.657 4.254 1.00 0.00 O ATOM 241 CB LYS A 15 -9.809 -7.654 3.806 1.00 0.00 C ATOM 242 CG LYS A 15 -11.081 -8.473 3.671 1.00 0.00 C ATOM 243 CD LYS A 15 -11.203 -9.066 2.279 1.00 0.00 C ATOM 244 CE LYS A 15 -12.366 -10.036 2.176 1.00 0.00 C ATOM 245 NZ LYS A 15 -12.637 -10.423 0.766 1.00 0.00 N ATOM 0 H LYS A 15 -10.502 -5.015 4.393 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.929 -7.476 5.932 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.727 -6.988 2.947 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.952 -8.327 3.770 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.083 -9.273 4.412 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.946 -7.844 3.879 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.334 -8.264 1.553 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.277 -9.581 2.021 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -12.148 -10.928 2.763 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.258 -9.581 2.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -13.106 -11.351 0.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.254 -9.713 0.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.740 -10.477 0.242 1.00 0.00 H new ATOM 259 N PRO A 16 -7.756 -6.264 6.426 1.00 0.00 N ATOM 260 CA PRO A 16 -6.450 -5.660 6.708 1.00 0.00 C ATOM 261 C PRO A 16 -5.360 -6.140 5.757 1.00 0.00 C ATOM 262 O PRO A 16 -5.360 -7.292 5.314 1.00 0.00 O ATOM 263 CB PRO A 16 -6.145 -6.108 8.140 1.00 0.00 C ATOM 264 CG PRO A 16 -7.475 -6.394 8.740 1.00 0.00 C ATOM 265 CD PRO A 16 -8.324 -6.921 7.618 1.00 0.00 C ATOM 0 HA PRO A 16 -6.475 -4.578 6.582 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.508 -6.992 8.151 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.620 -5.330 8.694 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.392 -7.125 9.545 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.912 -5.493 9.171 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.266 -8.007 7.545 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.375 -6.667 7.755 1.00 0.00 H new ATOM 273 N VAL A 17 -4.437 -5.249 5.438 1.00 0.00 N ATOM 274 CA VAL A 17 -3.335 -5.575 4.552 1.00 0.00 C ATOM 275 C VAL A 17 -2.068 -5.791 5.361 1.00 0.00 C ATOM 276 O VAL A 17 -1.681 -4.939 6.154 1.00 0.00 O ATOM 277 CB VAL A 17 -3.090 -4.464 3.508 1.00 0.00 C ATOM 278 CG1 VAL A 17 -1.964 -4.849 2.560 1.00 0.00 C ATOM 279 CG2 VAL A 17 -4.362 -4.170 2.730 1.00 0.00 C ATOM 0 H VAL A 17 -4.430 -4.289 5.782 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.601 -6.488 4.020 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.794 -3.560 4.040 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.811 -4.051 1.834 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.047 -5.004 3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.227 -5.769 2.037 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.168 -3.384 2.000 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.690 -5.072 2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.141 -3.842 3.418 1.00 0.00 H new ATOM 289 N THR A 18 -1.437 -6.934 5.182 1.00 0.00 N ATOM 290 CA THR A 18 -0.210 -7.233 5.894 1.00 0.00 C ATOM 291 C THR A 18 0.963 -7.279 4.920 1.00 0.00 C ATOM 292 O THR A 18 1.058 -8.175 4.084 1.00 0.00 O ATOM 293 CB THR A 18 -0.332 -8.565 6.654 1.00 0.00 C ATOM 294 OG1 THR A 18 -1.593 -8.609 7.337 1.00 0.00 O ATOM 295 CG2 THR A 18 0.794 -8.723 7.663 1.00 0.00 C ATOM 0 H THR A 18 -1.753 -7.670 4.551 1.00 0.00 H new ATOM 0 HA THR A 18 -0.030 -6.442 6.623 1.00 0.00 H new ATOM 0 HB THR A 18 -0.266 -9.381 5.934 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.674 -9.458 7.821 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.683 -9.673 8.186 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.753 -8.704 7.144 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.755 -7.906 8.383 1.00 0.00 H new ATOM 303 N ILE A 19 1.833 -6.284 5.016 1.00 0.00 N ATOM 304 CA ILE A 19 2.976 -6.168 4.119 1.00 0.00 C ATOM 305 C ILE A 19 4.262 -6.527 4.849 1.00 0.00 C ATOM 306 O ILE A 19 4.583 -5.934 5.880 1.00 0.00 O ATOM 307 CB ILE A 19 3.101 -4.730 3.562 1.00 0.00 C ATOM 308 CG1 ILE A 19 1.897 -4.383 2.683 1.00 0.00 C ATOM 309 CG2 ILE A 19 4.398 -4.553 2.780 1.00 0.00 C ATOM 310 CD1 ILE A 19 1.854 -5.143 1.381 1.00 0.00 C ATOM 0 H ILE A 19 1.769 -5.540 5.711 1.00 0.00 H new ATOM 0 HA ILE A 19 2.816 -6.859 3.291 1.00 0.00 H new ATOM 0 HB ILE A 19 3.121 -4.046 4.410 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.982 -4.584 3.240 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.911 -3.314 2.469 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.458 -3.533 2.401 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.247 -4.747 3.435 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.417 -5.252 1.944 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.973 -4.843 0.814 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.751 -4.923 0.802 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.807 -6.213 1.585 1.00 0.00 H new ATOM 322 N SER A 20 4.989 -7.501 4.323 1.00 0.00 N ATOM 323 CA SER A 20 6.260 -7.893 4.907 1.00 0.00 C ATOM 324 C SER A 20 7.385 -7.012 4.369 1.00 0.00 C ATOM 325 O SER A 20 7.673 -7.013 3.174 1.00 0.00 O ATOM 326 CB SER A 20 6.546 -9.365 4.611 1.00 0.00 C ATOM 327 OG SER A 20 5.441 -10.175 4.978 1.00 0.00 O ATOM 0 H SER A 20 4.720 -8.033 3.495 1.00 0.00 H new ATOM 0 HA SER A 20 6.204 -7.761 5.987 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.760 -9.493 3.550 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.434 -9.685 5.156 1.00 0.00 H new ATOM 0 HG SER A 20 5.643 -11.113 4.779 1.00 0.00 H new ATOM 333 N LEU A 21 8.000 -6.244 5.260 1.00 0.00 N ATOM 334 CA LEU A 21 9.103 -5.367 4.888 1.00 0.00 C ATOM 335 C LEU A 21 10.370 -6.154 4.564 1.00 0.00 C ATOM 336 O LEU A 21 10.389 -7.384 4.635 1.00 0.00 O ATOM 337 CB LEU A 21 9.380 -4.368 6.009 1.00 0.00 C ATOM 338 CG LEU A 21 8.484 -3.133 6.013 1.00 0.00 C ATOM 339 CD1 LEU A 21 8.688 -2.331 7.290 1.00 0.00 C ATOM 340 CD2 LEU A 21 8.785 -2.275 4.793 1.00 0.00 C ATOM 0 H LEU A 21 7.752 -6.211 6.249 1.00 0.00 H new ATOM 0 HA LEU A 21 8.808 -4.830 3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.271 -4.880 6.965 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.418 -4.044 5.937 1.00 0.00 H new ATOM 0 HG LEU A 21 7.442 -3.452 5.974 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.041 -1.454 7.276 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.441 -2.950 8.152 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.729 -2.013 7.358 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.143 -1.394 4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.829 -1.963 4.816 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.599 -2.852 3.887 1.00 0.00 H new ATOM 352 N GLN A 22 11.436 -5.427 4.240 1.00 0.00 N ATOM 353 CA GLN A 22 12.695 -6.033 3.823 1.00 0.00 C ATOM 354 C GLN A 22 13.303 -6.838 4.968 1.00 0.00 C ATOM 355 O GLN A 22 13.955 -7.860 4.751 1.00 0.00 O ATOM 356 CB GLN A 22 13.669 -4.945 3.358 1.00 0.00 C ATOM 357 CG GLN A 22 14.884 -5.481 2.617 1.00 0.00 C ATOM 358 CD GLN A 22 14.511 -6.253 1.364 1.00 0.00 C ATOM 359 OE1 GLN A 22 13.479 -5.998 0.743 1.00 0.00 O ATOM 360 NE2 GLN A 22 15.355 -7.193 0.974 1.00 0.00 N ATOM 0 H GLN A 22 11.451 -4.407 4.259 1.00 0.00 H new ATOM 0 HA GLN A 22 12.502 -6.711 2.992 1.00 0.00 H new ATOM 0 HB2 GLN A 22 13.138 -4.249 2.709 1.00 0.00 H new ATOM 0 HB3 GLN A 22 14.006 -4.378 4.226 1.00 0.00 H new ATOM 0 HG2 GLN A 22 15.536 -4.650 2.347 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.454 -6.129 3.283 1.00 0.00 H new ATOM 0 HE21 GLN A 22 16.200 -7.376 1.515 1.00 0.00 H new ATOM 0 HE22 GLN A 22 15.161 -7.735 0.132 1.00 0.00 H new ATOM 369 N ASN A 23 13.053 -6.384 6.192 1.00 0.00 N ATOM 370 CA ASN A 23 13.523 -7.082 7.386 1.00 0.00 C ATOM 371 C ASN A 23 12.637 -8.283 7.701 1.00 0.00 C ATOM 372 O ASN A 23 12.803 -8.934 8.730 1.00 0.00 O ATOM 373 CB ASN A 23 13.548 -6.141 8.598 1.00 0.00 C ATOM 374 CG ASN A 23 14.602 -5.058 8.482 1.00 0.00 C ATOM 375 OD1 ASN A 23 14.341 -3.975 7.957 1.00 0.00 O ATOM 376 ND2 ASN A 23 15.795 -5.337 8.979 1.00 0.00 N ATOM 0 H ASN A 23 12.526 -5.532 6.385 1.00 0.00 H new ATOM 0 HA ASN A 23 14.536 -7.429 7.182 1.00 0.00 H new ATOM 0 HB2 ASN A 23 12.568 -5.677 8.712 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.731 -6.724 9.501 1.00 0.00 H new ATOM 0 HD21 ASN A 23 16.541 -4.642 8.936 1.00 0.00 H new ATOM 0 HD22 ASN A 23 15.970 -6.247 9.406 1.00 0.00 H new ATOM 383 N GLY A 24 11.693 -8.573 6.813 1.00 0.00 N ATOM 384 CA GLY A 24 10.776 -9.672 7.037 1.00 0.00 C ATOM 385 C GLY A 24 9.793 -9.363 8.142 1.00 0.00 C ATOM 386 O GLY A 24 9.395 -10.247 8.899 1.00 0.00 O ATOM 0 H GLY A 24 11.547 -8.065 5.941 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.233 -9.886 6.116 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.339 -10.570 7.291 1.00 0.00 H new ATOM 390 N ALA A 25 9.415 -8.097 8.240 1.00 0.00 N ATOM 391 CA ALA A 25 8.481 -7.656 9.259 1.00 0.00 C ATOM 392 C ALA A 25 7.145 -7.289 8.634 1.00 0.00 C ATOM 393 O ALA A 25 7.022 -6.254 7.974 1.00 0.00 O ATOM 394 CB ALA A 25 9.054 -6.474 10.024 1.00 0.00 C ATOM 0 H ALA A 25 9.744 -7.356 7.622 1.00 0.00 H new ATOM 0 HA ALA A 25 8.319 -8.476 9.959 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.343 -6.154 10.785 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.989 -6.768 10.502 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.242 -5.651 9.334 1.00 0.00 H new ATOM 400 N PRO A 26 6.137 -8.152 8.799 1.00 0.00 N ATOM 401 CA PRO A 26 4.794 -7.919 8.275 1.00 0.00 C ATOM 402 C PRO A 26 4.020 -6.909 9.117 1.00 0.00 C ATOM 403 O PRO A 26 3.693 -7.172 10.275 1.00 0.00 O ATOM 404 CB PRO A 26 4.123 -9.301 8.346 1.00 0.00 C ATOM 405 CG PRO A 26 5.190 -10.257 8.777 1.00 0.00 C ATOM 406 CD PRO A 26 6.219 -9.437 9.496 1.00 0.00 C ATOM 0 HA PRO A 26 4.819 -7.502 7.268 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.294 -9.296 9.054 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.713 -9.586 7.377 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.781 -11.028 9.430 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.628 -10.765 7.918 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.992 -9.339 10.558 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.214 -9.877 9.422 1.00 0.00 H new ATOM 414 N ARG A 27 3.752 -5.747 8.543 1.00 0.00 N ATOM 415 CA ARG A 27 2.970 -4.725 9.224 1.00 0.00 C ATOM 416 C ARG A 27 1.504 -4.856 8.841 1.00 0.00 C ATOM 417 O ARG A 27 1.166 -4.877 7.657 1.00 0.00 O ATOM 418 CB ARG A 27 3.470 -3.319 8.876 1.00 0.00 C ATOM 419 CG ARG A 27 4.905 -3.049 9.300 1.00 0.00 C ATOM 420 CD ARG A 27 5.292 -1.598 9.056 1.00 0.00 C ATOM 421 NE ARG A 27 4.521 -0.673 9.889 1.00 0.00 N ATOM 422 CZ ARG A 27 4.344 0.619 9.612 1.00 0.00 C ATOM 423 NH1 ARG A 27 4.875 1.151 8.519 1.00 0.00 N ATOM 424 NH2 ARG A 27 3.638 1.385 10.431 1.00 0.00 N ATOM 0 H ARG A 27 4.064 -5.487 7.607 1.00 0.00 H new ATOM 0 HA ARG A 27 3.084 -4.872 10.298 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.386 -3.171 7.799 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.818 -2.585 9.350 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.024 -3.286 10.357 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.579 -3.705 8.748 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.355 -1.468 9.260 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.136 -1.354 8.005 1.00 0.00 H new ATOM 0 HE ARG A 27 4.091 -1.042 10.737 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.423 0.571 7.884 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.735 2.140 8.314 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.228 0.986 11.276 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.504 2.373 10.217 1.00 0.00 H new ATOM 438 N ILE A 28 0.642 -4.964 9.840 1.00 0.00 N ATOM 439 CA ILE A 28 -0.785 -5.091 9.596 1.00 0.00 C ATOM 440 C ILE A 28 -1.435 -3.716 9.512 1.00 0.00 C ATOM 441 O ILE A 28 -1.561 -3.012 10.515 1.00 0.00 O ATOM 442 CB ILE A 28 -1.480 -5.923 10.696 1.00 0.00 C ATOM 443 CG1 ILE A 28 -0.829 -7.305 10.807 1.00 0.00 C ATOM 444 CG2 ILE A 28 -2.971 -6.054 10.402 1.00 0.00 C ATOM 445 CD1 ILE A 28 -1.407 -8.168 11.908 1.00 0.00 C ATOM 0 H ILE A 28 0.906 -4.966 10.825 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.906 -5.611 8.646 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.363 -5.408 11.650 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.939 -7.825 9.855 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.240 -7.180 10.980 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.446 -6.643 11.186 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.424 -5.063 10.368 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.110 -6.550 9.441 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.895 -9.130 11.923 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.273 -7.670 12.869 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.470 -8.326 11.726 1.00 0.00 H new ATOM 457 N PHE A 29 -1.818 -3.329 8.308 1.00 0.00 N ATOM 458 CA PHE A 29 -2.482 -2.056 8.090 1.00 0.00 C ATOM 459 C PHE A 29 -3.986 -2.245 8.197 1.00 0.00 C ATOM 460 O PHE A 29 -4.584 -3.006 7.431 1.00 0.00 O ATOM 461 CB PHE A 29 -2.120 -1.486 6.716 1.00 0.00 C ATOM 462 CG PHE A 29 -0.649 -1.520 6.419 1.00 0.00 C ATOM 463 CD1 PHE A 29 0.236 -0.713 7.116 1.00 0.00 C ATOM 464 CD2 PHE A 29 -0.149 -2.371 5.449 1.00 0.00 C ATOM 465 CE1 PHE A 29 1.590 -0.758 6.847 1.00 0.00 C ATOM 466 CE2 PHE A 29 1.199 -2.418 5.179 1.00 0.00 C ATOM 467 CZ PHE A 29 2.069 -1.615 5.875 1.00 0.00 C ATOM 0 H PHE A 29 -1.679 -3.882 7.462 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.149 -1.350 8.851 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.650 -2.049 5.948 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.470 -0.456 6.656 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.136 -0.043 7.877 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.826 -3.006 4.897 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.272 -0.125 7.395 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.574 -3.087 4.419 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.127 -1.653 5.663 1.00 0.00 H new ATOM 477 N ASN A 30 -4.588 -1.556 9.148 1.00 0.00 N ATOM 478 CA ASN A 30 -6.015 -1.678 9.393 1.00 0.00 C ATOM 479 C ASN A 30 -6.726 -0.456 8.841 1.00 0.00 C ATOM 480 O ASN A 30 -7.947 -0.443 8.685 1.00 0.00 O ATOM 481 CB ASN A 30 -6.300 -1.822 10.893 1.00 0.00 C ATOM 482 CG ASN A 30 -5.516 -2.956 11.531 1.00 0.00 C ATOM 483 OD1 ASN A 30 -5.949 -4.108 11.524 1.00 0.00 O ATOM 484 ND2 ASN A 30 -4.374 -2.633 12.120 1.00 0.00 N ATOM 0 H ASN A 30 -4.109 -0.902 9.767 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.384 -2.573 8.891 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.055 -0.887 11.397 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.366 -1.994 11.042 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.821 -3.351 12.589 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.048 -1.667 12.105 1.00 0.00 H new ATOM 491 N GLY A 31 -5.944 0.569 8.545 1.00 0.00 N ATOM 492 CA GLY A 31 -6.478 1.777 7.966 1.00 0.00 C ATOM 493 C GLY A 31 -5.714 2.169 6.723 1.00 0.00 C ATOM 494 O GLY A 31 -4.517 1.900 6.618 1.00 0.00 O ATOM 0 H GLY A 31 -4.936 0.582 8.699 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.530 1.632 7.719 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.431 2.585 8.696 1.00 0.00 H new ATOM 498 N VAL A 32 -6.396 2.801 5.784 1.00 0.00 N ATOM 499 CA VAL A 32 -5.773 3.185 4.525 1.00 0.00 C ATOM 500 C VAL A 32 -4.733 4.281 4.746 1.00 0.00 C ATOM 501 O VAL A 32 -3.742 4.371 4.016 1.00 0.00 O ATOM 502 CB VAL A 32 -6.824 3.652 3.495 1.00 0.00 C ATOM 503 CG1 VAL A 32 -6.173 3.995 2.164 1.00 0.00 C ATOM 504 CG2 VAL A 32 -7.894 2.585 3.309 1.00 0.00 C ATOM 0 H VAL A 32 -7.379 3.060 5.867 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.274 2.302 4.126 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.296 4.556 3.879 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.937 4.321 1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.448 4.796 2.309 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.666 3.114 1.769 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.628 2.929 2.580 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.432 1.665 2.952 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.390 2.397 4.261 1.00 0.00 H new ATOM 514 N TYR A 33 -4.939 5.095 5.776 1.00 0.00 N ATOM 515 CA TYR A 33 -4.002 6.165 6.091 1.00 0.00 C ATOM 516 C TYR A 33 -2.659 5.582 6.520 1.00 0.00 C ATOM 517 O TYR A 33 -1.604 6.132 6.204 1.00 0.00 O ATOM 518 CB TYR A 33 -4.555 7.075 7.192 1.00 0.00 C ATOM 519 CG TYR A 33 -3.700 8.295 7.446 1.00 0.00 C ATOM 520 CD1 TYR A 33 -3.816 9.423 6.646 1.00 0.00 C ATOM 521 CD2 TYR A 33 -2.765 8.314 8.474 1.00 0.00 C ATOM 522 CE1 TYR A 33 -3.031 10.537 6.863 1.00 0.00 C ATOM 523 CE2 TYR A 33 -1.975 9.424 8.698 1.00 0.00 C ATOM 524 CZ TYR A 33 -2.111 10.533 7.888 1.00 0.00 C ATOM 525 OH TYR A 33 -1.322 11.643 8.102 1.00 0.00 O ATOM 0 H TYR A 33 -5.741 5.034 6.403 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.860 6.764 5.192 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.560 7.395 6.918 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.643 6.503 8.116 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.534 9.429 5.839 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.655 7.447 9.108 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.137 11.407 6.232 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.255 9.424 9.503 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.727 11.479 8.863 1.00 0.00 H new ATOM 535 N GLU A 34 -2.709 4.455 7.225 1.00 0.00 N ATOM 536 CA GLU A 34 -1.502 3.788 7.690 1.00 0.00 C ATOM 537 C GLU A 34 -0.683 3.301 6.502 1.00 0.00 C ATOM 538 O GLU A 34 0.543 3.403 6.487 1.00 0.00 O ATOM 539 CB GLU A 34 -1.856 2.597 8.578 1.00 0.00 C ATOM 540 CG GLU A 34 -2.848 2.921 9.681 1.00 0.00 C ATOM 541 CD GLU A 34 -3.099 1.738 10.589 1.00 0.00 C ATOM 542 OE1 GLU A 34 -3.565 0.694 10.099 1.00 0.00 O ATOM 543 OE2 GLU A 34 -2.810 1.843 11.801 1.00 0.00 O ATOM 0 H GLU A 34 -3.576 3.986 7.486 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.918 4.504 8.268 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.268 1.803 7.955 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.942 2.208 9.028 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.472 3.757 10.271 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.790 3.243 9.237 1.00 0.00 H new ATOM 550 N ALA A 35 -1.383 2.774 5.505 1.00 0.00 N ATOM 551 CA ALA A 35 -0.745 2.278 4.296 1.00 0.00 C ATOM 552 C ALA A 35 -0.138 3.426 3.498 1.00 0.00 C ATOM 553 O ALA A 35 0.973 3.315 2.982 1.00 0.00 O ATOM 554 CB ALA A 35 -1.749 1.507 3.455 1.00 0.00 C ATOM 0 H ALA A 35 -2.399 2.680 5.512 1.00 0.00 H new ATOM 0 HA ALA A 35 0.062 1.602 4.579 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.261 1.140 2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.133 0.663 4.029 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.574 2.164 3.180 1.00 0.00 H new ATOM 560 N PHE A 36 -0.872 4.531 3.413 1.00 0.00 N ATOM 561 CA PHE A 36 -0.389 5.733 2.741 1.00 0.00 C ATOM 562 C PHE A 36 0.896 6.228 3.397 1.00 0.00 C ATOM 563 O PHE A 36 1.871 6.557 2.717 1.00 0.00 O ATOM 564 CB PHE A 36 -1.462 6.826 2.780 1.00 0.00 C ATOM 565 CG PHE A 36 -1.031 8.128 2.165 1.00 0.00 C ATOM 566 CD1 PHE A 36 -0.949 8.268 0.788 1.00 0.00 C ATOM 567 CD2 PHE A 36 -0.701 9.210 2.965 1.00 0.00 C ATOM 568 CE1 PHE A 36 -0.552 9.464 0.222 1.00 0.00 C ATOM 569 CE2 PHE A 36 -0.302 10.409 2.404 1.00 0.00 C ATOM 570 CZ PHE A 36 -0.228 10.535 1.032 1.00 0.00 C ATOM 0 H PHE A 36 -1.810 4.619 3.804 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.174 5.490 1.700 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.351 6.467 2.261 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.748 7.003 3.817 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.198 7.433 0.151 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.756 9.116 4.039 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.495 9.562 -0.852 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.049 11.245 3.039 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.083 11.471 0.591 1.00 0.00 H new ATOM 580 N ASP A 37 0.889 6.263 4.724 1.00 0.00 N ATOM 581 CA ASP A 37 2.056 6.673 5.497 1.00 0.00 C ATOM 582 C ASP A 37 3.217 5.715 5.254 1.00 0.00 C ATOM 583 O ASP A 37 4.360 6.134 5.050 1.00 0.00 O ATOM 584 CB ASP A 37 1.708 6.707 6.988 1.00 0.00 C ATOM 585 CG ASP A 37 2.874 7.148 7.848 1.00 0.00 C ATOM 586 OD1 ASP A 37 3.099 8.372 7.961 1.00 0.00 O ATOM 587 OD2 ASP A 37 3.561 6.279 8.425 1.00 0.00 O ATOM 0 H ASP A 37 0.080 6.010 5.292 1.00 0.00 H new ATOM 0 HA ASP A 37 2.355 7.671 5.177 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.868 7.384 7.146 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.382 5.716 7.304 1.00 0.00 H new ATOM 592 N PHE A 38 2.900 4.429 5.256 1.00 0.00 N ATOM 593 CA PHE A 38 3.878 3.374 5.029 1.00 0.00 C ATOM 594 C PHE A 38 4.618 3.565 3.705 1.00 0.00 C ATOM 595 O PHE A 38 5.845 3.464 3.651 1.00 0.00 O ATOM 596 CB PHE A 38 3.165 2.022 5.048 1.00 0.00 C ATOM 597 CG PHE A 38 4.025 0.859 4.651 1.00 0.00 C ATOM 598 CD1 PHE A 38 5.062 0.440 5.463 1.00 0.00 C ATOM 599 CD2 PHE A 38 3.789 0.182 3.465 1.00 0.00 C ATOM 600 CE1 PHE A 38 5.850 -0.633 5.103 1.00 0.00 C ATOM 601 CE2 PHE A 38 4.572 -0.893 3.102 1.00 0.00 C ATOM 602 CZ PHE A 38 5.603 -1.300 3.920 1.00 0.00 C ATOM 0 H PHE A 38 1.953 4.086 5.416 1.00 0.00 H new ATOM 0 HA PHE A 38 4.623 3.414 5.824 1.00 0.00 H new ATOM 0 HB2 PHE A 38 2.777 1.845 6.051 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.307 2.069 4.377 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.257 0.959 6.390 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.984 0.500 2.819 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.658 -0.951 5.745 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.377 -1.416 2.177 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.218 -2.141 3.636 1.00 0.00 H new ATOM 612 N LEU A 39 3.867 3.872 2.655 1.00 0.00 N ATOM 613 CA LEU A 39 4.420 3.995 1.310 1.00 0.00 C ATOM 614 C LEU A 39 5.429 5.138 1.203 1.00 0.00 C ATOM 615 O LEU A 39 6.228 5.180 0.268 1.00 0.00 O ATOM 616 CB LEU A 39 3.295 4.214 0.297 1.00 0.00 C ATOM 617 CG LEU A 39 2.253 3.097 0.223 1.00 0.00 C ATOM 618 CD1 LEU A 39 1.139 3.476 -0.736 1.00 0.00 C ATOM 619 CD2 LEU A 39 2.900 1.789 -0.202 1.00 0.00 C ATOM 0 H LEU A 39 2.863 4.042 2.710 1.00 0.00 H new ATOM 0 HA LEU A 39 4.944 3.064 1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.786 5.147 0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.738 4.341 -0.691 1.00 0.00 H new ATOM 0 HG LEU A 39 1.824 2.960 1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.405 2.671 -0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.656 4.390 -0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.555 3.640 -1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.142 1.007 -0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.357 1.911 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.666 1.510 0.522 1.00 0.00 H new ATOM 631 N GLN A 40 5.385 6.068 2.144 1.00 0.00 N ATOM 632 CA GLN A 40 6.298 7.203 2.122 1.00 0.00 C ATOM 633 C GLN A 40 7.489 6.979 3.039 1.00 0.00 C ATOM 634 O GLN A 40 8.590 7.457 2.767 1.00 0.00 O ATOM 635 CB GLN A 40 5.572 8.486 2.532 1.00 0.00 C ATOM 636 CG GLN A 40 4.508 8.937 1.549 1.00 0.00 C ATOM 637 CD GLN A 40 3.813 10.210 1.992 1.00 0.00 C ATOM 638 OE1 GLN A 40 3.658 10.466 3.190 1.00 0.00 O ATOM 639 NE2 GLN A 40 3.414 11.029 1.035 1.00 0.00 N ATOM 0 H GLN A 40 4.732 6.061 2.928 1.00 0.00 H new ATOM 0 HA GLN A 40 6.664 7.304 1.100 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.109 8.333 3.507 1.00 0.00 H new ATOM 0 HB3 GLN A 40 6.305 9.284 2.649 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.964 9.097 0.572 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.768 8.145 1.430 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.561 10.780 0.057 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.959 11.910 1.274 1.00 0.00 H new ATOM 648 N HIS A 41 7.273 6.250 4.122 1.00 0.00 N ATOM 649 CA HIS A 41 8.319 6.058 5.114 1.00 0.00 C ATOM 650 C HIS A 41 9.270 4.936 4.723 1.00 0.00 C ATOM 651 O HIS A 41 10.481 5.061 4.910 1.00 0.00 O ATOM 652 CB HIS A 41 7.726 5.795 6.500 1.00 0.00 C ATOM 653 CG HIS A 41 7.243 7.039 7.182 1.00 0.00 C ATOM 654 ND1 HIS A 41 6.102 7.748 7.027 1.00 0.00 N flip ATOM 655 CD2 HIS A 41 7.969 7.702 8.149 1.00 0.00 C flip ATOM 656 CE1 HIS A 41 6.158 8.812 7.891 1.00 0.00 C flip ATOM 657 NE2 HIS A 41 7.295 8.760 8.555 1.00 0.00 N flip ATOM 0 H HIS A 41 6.391 5.785 4.336 1.00 0.00 H new ATOM 0 HA HIS A 41 8.893 6.984 5.154 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.896 5.095 6.406 1.00 0.00 H new ATOM 0 HB3 HIS A 41 8.479 5.315 7.125 1.00 0.00 H new ATOM 0 HD1 HIS A 41 5.339 7.531 6.385 1.00 0.00 H new ATOM 0 HD2 HIS A 41 8.939 7.401 8.517 1.00 0.00 H new ATOM 0 HE1 HIS A 41 5.396 9.568 8.008 1.00 0.00 H new ATOM 666 N GLU A 42 8.740 3.852 4.171 1.00 0.00 N ATOM 667 CA GLU A 42 9.583 2.729 3.787 1.00 0.00 C ATOM 668 C GLU A 42 8.853 1.797 2.823 1.00 0.00 C ATOM 669 O GLU A 42 8.236 0.816 3.235 1.00 0.00 O ATOM 670 CB GLU A 42 10.043 1.963 5.035 1.00 0.00 C ATOM 671 CG GLU A 42 11.197 1.010 4.781 1.00 0.00 C ATOM 672 CD GLU A 42 11.759 0.421 6.060 1.00 0.00 C ATOM 673 OE1 GLU A 42 12.339 1.183 6.868 1.00 0.00 O ATOM 674 OE2 GLU A 42 11.647 -0.805 6.261 1.00 0.00 O ATOM 0 H GLU A 42 7.746 3.727 3.982 1.00 0.00 H new ATOM 0 HA GLU A 42 10.460 3.120 3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.339 2.680 5.801 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.200 1.399 5.434 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.860 0.203 4.131 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.989 1.538 4.250 1.00 0.00 H new ATOM 681 N TRP A 43 8.888 2.138 1.541 1.00 0.00 N ATOM 682 CA TRP A 43 8.332 1.275 0.510 1.00 0.00 C ATOM 683 C TRP A 43 9.437 0.822 -0.449 1.00 0.00 C ATOM 684 O TRP A 43 9.967 1.624 -1.218 1.00 0.00 O ATOM 685 CB TRP A 43 7.220 2.012 -0.242 1.00 0.00 C ATOM 686 CG TRP A 43 6.547 1.191 -1.300 1.00 0.00 C ATOM 687 CD1 TRP A 43 6.450 1.497 -2.623 1.00 0.00 C ATOM 688 CD2 TRP A 43 5.878 -0.068 -1.130 1.00 0.00 C ATOM 689 NE1 TRP A 43 5.760 0.515 -3.288 1.00 0.00 N ATOM 690 CE2 TRP A 43 5.401 -0.458 -2.396 1.00 0.00 C ATOM 691 CE3 TRP A 43 5.637 -0.902 -0.036 1.00 0.00 C ATOM 692 CZ2 TRP A 43 4.699 -1.642 -2.596 1.00 0.00 C ATOM 693 CZ3 TRP A 43 4.941 -2.079 -0.237 1.00 0.00 C ATOM 694 CH2 TRP A 43 4.479 -2.439 -1.507 1.00 0.00 C ATOM 0 H TRP A 43 9.295 3.005 1.192 1.00 0.00 H new ATOM 0 HA TRP A 43 7.902 0.388 0.975 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.470 2.345 0.476 1.00 0.00 H new ATOM 0 HB3 TRP A 43 7.639 2.906 -0.703 1.00 0.00 H new ATOM 0 HD1 TRP A 43 6.858 2.385 -3.083 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.549 0.511 -4.286 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.988 -0.632 0.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.341 -1.922 -3.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 4.751 -2.732 0.602 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.937 -3.365 -1.630 1.00 0.00 H new ATOM 705 N PRO A 44 9.808 -0.471 -0.393 1.00 0.00 N ATOM 706 CA PRO A 44 10.924 -1.027 -1.180 1.00 0.00 C ATOM 707 C PRO A 44 10.706 -0.976 -2.696 1.00 0.00 C ATOM 708 O PRO A 44 11.659 -0.822 -3.460 1.00 0.00 O ATOM 709 CB PRO A 44 11.008 -2.487 -0.715 1.00 0.00 C ATOM 710 CG PRO A 44 10.262 -2.536 0.576 1.00 0.00 C ATOM 711 CD PRO A 44 9.192 -1.492 0.471 1.00 0.00 C ATOM 0 HA PRO A 44 11.831 -0.446 -1.016 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.566 -3.159 -1.450 1.00 0.00 H new ATOM 0 HB3 PRO A 44 12.044 -2.798 -0.582 1.00 0.00 H new ATOM 0 HG2 PRO A 44 9.830 -3.523 0.740 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.924 -2.334 1.418 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.278 -1.893 0.033 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.926 -1.087 1.447 1.00 0.00 H new ATOM 719 N ALA A 45 9.458 -1.113 -3.132 1.00 0.00 N ATOM 720 CA ALA A 45 9.151 -1.141 -4.558 1.00 0.00 C ATOM 721 C ALA A 45 9.254 0.257 -5.161 1.00 0.00 C ATOM 722 O ALA A 45 8.412 1.120 -4.915 1.00 0.00 O ATOM 723 CB ALA A 45 7.771 -1.728 -4.797 1.00 0.00 C ATOM 0 H ALA A 45 8.646 -1.206 -2.522 1.00 0.00 H new ATOM 0 HA ALA A 45 9.884 -1.779 -5.052 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.561 -1.740 -5.867 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.736 -2.746 -4.409 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.024 -1.120 -4.287 1.00 0.00 H new ATOM 729 N ARG A 46 10.295 0.475 -5.950 1.00 0.00 N ATOM 730 CA ARG A 46 10.544 1.789 -6.520 1.00 0.00 C ATOM 731 C ARG A 46 10.093 1.843 -7.971 1.00 0.00 C ATOM 732 O ARG A 46 9.606 0.852 -8.523 1.00 0.00 O ATOM 733 CB ARG A 46 12.025 2.150 -6.404 1.00 0.00 C ATOM 734 CG ARG A 46 12.584 1.934 -5.010 1.00 0.00 C ATOM 735 CD ARG A 46 13.971 2.526 -4.860 1.00 0.00 C ATOM 736 NE ARG A 46 14.656 2.010 -3.678 1.00 0.00 N ATOM 737 CZ ARG A 46 14.508 2.498 -2.445 1.00 0.00 C ATOM 738 NH1 ARG A 46 13.691 3.520 -2.220 1.00 0.00 N ATOM 739 NH2 ARG A 46 15.175 1.958 -1.435 1.00 0.00 N ATOM 0 H ARG A 46 10.978 -0.237 -6.209 1.00 0.00 H new ATOM 0 HA ARG A 46 9.964 2.521 -5.957 1.00 0.00 H new ATOM 0 HB2 ARG A 46 12.595 1.551 -7.114 1.00 0.00 H new ATOM 0 HB3 ARG A 46 12.161 3.194 -6.686 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.915 2.385 -4.277 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.620 0.866 -4.794 1.00 0.00 H new ATOM 0 HD2 ARG A 46 14.560 2.301 -5.749 1.00 0.00 H new ATOM 0 HD3 ARG A 46 13.898 3.611 -4.793 1.00 0.00 H new ATOM 0 HE ARG A 46 15.291 1.222 -3.804 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.172 3.937 -2.992 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.583 3.888 -1.275 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.801 1.170 -1.601 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.062 2.331 -0.492 1.00 0.00 H new ATOM 753 N GLY A 47 10.265 3.000 -8.588 1.00 0.00 N ATOM 754 CA GLY A 47 9.795 3.201 -9.940 1.00 0.00 C ATOM 755 C GLY A 47 9.001 4.477 -10.061 1.00 0.00 C ATOM 756 O GLY A 47 8.792 4.988 -11.160 1.00 0.00 O ATOM 0 H GLY A 47 10.726 3.810 -8.172 1.00 0.00 H new ATOM 0 HA2 GLY A 47 10.645 3.233 -10.622 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.177 2.356 -10.242 1.00 0.00 H new ATOM 760 N ASP A 48 8.550 4.974 -8.905 1.00 0.00 N ATOM 761 CA ASP A 48 7.799 6.230 -8.790 1.00 0.00 C ATOM 762 C ASP A 48 6.404 6.150 -9.395 1.00 0.00 C ATOM 763 O ASP A 48 5.429 6.470 -8.729 1.00 0.00 O ATOM 764 CB ASP A 48 8.567 7.409 -9.385 1.00 0.00 C ATOM 765 CG ASP A 48 9.536 8.017 -8.390 1.00 0.00 C ATOM 766 OD1 ASP A 48 9.075 8.576 -7.373 1.00 0.00 O ATOM 767 OD2 ASP A 48 10.761 7.939 -8.623 1.00 0.00 O ATOM 0 H ASP A 48 8.698 4.509 -8.009 1.00 0.00 H new ATOM 0 HA ASP A 48 7.678 6.399 -7.720 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.114 7.077 -10.267 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.861 8.171 -9.716 1.00 0.00 H new ATOM 772 N ARG A 49 6.298 5.727 -10.643 1.00 0.00 N ATOM 773 CA ARG A 49 5.002 5.639 -11.308 1.00 0.00 C ATOM 774 C ARG A 49 4.081 4.656 -10.590 1.00 0.00 C ATOM 775 O ARG A 49 2.929 4.976 -10.291 1.00 0.00 O ATOM 776 CB ARG A 49 5.182 5.254 -12.775 1.00 0.00 C ATOM 777 CG ARG A 49 5.848 6.351 -13.590 1.00 0.00 C ATOM 778 CD ARG A 49 6.105 5.924 -15.024 1.00 0.00 C ATOM 779 NE ARG A 49 7.076 4.836 -15.112 1.00 0.00 N ATOM 780 CZ ARG A 49 8.345 4.994 -15.486 1.00 0.00 C ATOM 781 NH1 ARG A 49 8.815 6.200 -15.782 1.00 0.00 N ATOM 782 NH2 ARG A 49 9.140 3.939 -15.570 1.00 0.00 N ATOM 0 H ARG A 49 7.090 5.439 -11.218 1.00 0.00 H new ATOM 0 HA ARG A 49 4.529 6.620 -11.268 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.781 4.346 -12.837 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.209 5.024 -13.209 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.217 7.239 -13.585 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.792 6.628 -13.120 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.167 5.609 -15.481 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.467 6.778 -15.596 1.00 0.00 H new ATOM 0 HE ARG A 49 6.762 3.896 -14.872 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.203 7.014 -15.724 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.788 6.312 -16.067 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.780 3.010 -15.349 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.112 4.055 -15.856 1.00 0.00 H new ATOM 796 N ALA A 50 4.592 3.469 -10.290 1.00 0.00 N ATOM 797 CA ALA A 50 3.832 2.485 -9.526 1.00 0.00 C ATOM 798 C ALA A 50 3.652 2.950 -8.083 1.00 0.00 C ATOM 799 O ALA A 50 2.653 2.646 -7.434 1.00 0.00 O ATOM 800 CB ALA A 50 4.528 1.132 -9.565 1.00 0.00 C ATOM 0 H ALA A 50 5.526 3.164 -10.562 1.00 0.00 H new ATOM 0 HA ALA A 50 2.846 2.382 -9.980 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.949 0.408 -8.991 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.609 0.794 -10.598 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.525 1.223 -9.134 1.00 0.00 H new ATOM 806 N HIS A 51 4.628 3.711 -7.598 1.00 0.00 N ATOM 807 CA HIS A 51 4.595 4.243 -6.240 1.00 0.00 C ATOM 808 C HIS A 51 3.493 5.294 -6.105 1.00 0.00 C ATOM 809 O HIS A 51 2.722 5.280 -5.146 1.00 0.00 O ATOM 810 CB HIS A 51 5.964 4.843 -5.888 1.00 0.00 C ATOM 811 CG HIS A 51 6.061 5.425 -4.507 1.00 0.00 C ATOM 812 ND1 HIS A 51 6.347 6.752 -4.270 1.00 0.00 N ATOM 813 CD2 HIS A 51 5.942 4.847 -3.289 1.00 0.00 C ATOM 814 CE1 HIS A 51 6.404 6.964 -2.969 1.00 0.00 C ATOM 815 NE2 HIS A 51 6.162 5.823 -2.350 1.00 0.00 N ATOM 0 H HIS A 51 5.457 3.975 -8.130 1.00 0.00 H new ATOM 0 HA HIS A 51 4.376 3.433 -5.544 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.723 4.068 -5.994 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.201 5.622 -6.613 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.716 3.809 -3.092 1.00 0.00 H new ATOM 0 HE1 HIS A 51 6.613 7.910 -2.492 1.00 0.00 H new ATOM 0 HE2 HIS A 51 6.142 5.689 -1.339 1.00 0.00 H new ATOM 824 N GLU A 52 3.424 6.188 -7.083 1.00 0.00 N ATOM 825 CA GLU A 52 2.429 7.253 -7.106 1.00 0.00 C ATOM 826 C GLU A 52 1.029 6.664 -7.256 1.00 0.00 C ATOM 827 O GLU A 52 0.064 7.178 -6.692 1.00 0.00 O ATOM 828 CB GLU A 52 2.723 8.208 -8.268 1.00 0.00 C ATOM 829 CG GLU A 52 2.011 9.548 -8.165 1.00 0.00 C ATOM 830 CD GLU A 52 2.510 10.377 -7.001 1.00 0.00 C ATOM 831 OE1 GLU A 52 3.651 10.877 -7.067 1.00 0.00 O ATOM 832 OE2 GLU A 52 1.767 10.531 -6.013 1.00 0.00 O ATOM 0 H GLU A 52 4.057 6.195 -7.883 1.00 0.00 H new ATOM 0 HA GLU A 52 2.477 7.804 -6.167 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.798 8.383 -8.318 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.435 7.726 -9.202 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.153 10.104 -9.091 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.940 9.380 -8.055 1.00 0.00 H new ATOM 839 N GLN A 53 0.938 5.576 -8.017 1.00 0.00 N ATOM 840 CA GLN A 53 -0.329 4.883 -8.225 1.00 0.00 C ATOM 841 C GLN A 53 -0.906 4.418 -6.892 1.00 0.00 C ATOM 842 O GLN A 53 -2.060 4.704 -6.570 1.00 0.00 O ATOM 843 CB GLN A 53 -0.127 3.683 -9.152 1.00 0.00 C ATOM 844 CG GLN A 53 -1.414 2.948 -9.492 1.00 0.00 C ATOM 845 CD GLN A 53 -1.168 1.707 -10.325 1.00 0.00 C ATOM 846 OE1 GLN A 53 -0.987 0.610 -9.794 1.00 0.00 O ATOM 847 NE2 GLN A 53 -1.147 1.873 -11.637 1.00 0.00 N ATOM 0 H GLN A 53 1.731 5.155 -8.501 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.031 5.576 -8.688 1.00 0.00 H new ATOM 0 HB2 GLN A 53 0.341 4.024 -10.076 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.566 2.985 -8.682 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.924 2.668 -8.570 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.080 3.619 -10.033 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.302 2.799 -12.036 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -0.976 1.075 -12.249 1.00 0.00 H new ATOM 856 N ALA A 54 -0.083 3.716 -6.117 1.00 0.00 N ATOM 857 CA ALA A 54 -0.491 3.219 -4.808 1.00 0.00 C ATOM 858 C ALA A 54 -0.871 4.372 -3.887 1.00 0.00 C ATOM 859 O ALA A 54 -1.850 4.292 -3.142 1.00 0.00 O ATOM 860 CB ALA A 54 0.620 2.385 -4.189 1.00 0.00 C ATOM 0 H ALA A 54 0.875 3.478 -6.376 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.368 2.586 -4.939 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.301 2.021 -3.212 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.843 1.537 -4.837 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.514 2.998 -4.073 1.00 0.00 H new ATOM 866 N LEU A 55 -0.095 5.450 -3.956 1.00 0.00 N ATOM 867 CA LEU A 55 -0.367 6.647 -3.172 1.00 0.00 C ATOM 868 C LEU A 55 -1.715 7.246 -3.552 1.00 0.00 C ATOM 869 O LEU A 55 -2.503 7.621 -2.687 1.00 0.00 O ATOM 870 CB LEU A 55 0.734 7.689 -3.384 1.00 0.00 C ATOM 871 CG LEU A 55 2.121 7.301 -2.872 1.00 0.00 C ATOM 872 CD1 LEU A 55 3.148 8.334 -3.302 1.00 0.00 C ATOM 873 CD2 LEU A 55 2.110 7.162 -1.357 1.00 0.00 C ATOM 0 H LEU A 55 0.731 5.517 -4.551 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.391 6.361 -2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.807 7.902 -4.451 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.432 8.615 -2.894 1.00 0.00 H new ATOM 0 HG LEU A 55 2.394 6.338 -3.304 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.131 8.046 -2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.173 8.391 -4.390 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.877 9.308 -2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.105 6.885 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.819 8.111 -0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.397 6.390 -1.068 1.00 0.00 H new ATOM 885 N ARG A 56 -1.976 7.318 -4.852 1.00 0.00 N ATOM 886 CA ARG A 56 -3.207 7.909 -5.360 1.00 0.00 C ATOM 887 C ARG A 56 -4.420 7.121 -4.876 1.00 0.00 C ATOM 888 O ARG A 56 -5.437 7.702 -4.493 1.00 0.00 O ATOM 889 CB ARG A 56 -3.185 7.946 -6.887 1.00 0.00 C ATOM 890 CG ARG A 56 -4.202 8.902 -7.484 1.00 0.00 C ATOM 891 CD ARG A 56 -4.218 8.833 -9.004 1.00 0.00 C ATOM 892 NE ARG A 56 -2.872 8.875 -9.583 1.00 0.00 N ATOM 893 CZ ARG A 56 -2.200 9.994 -9.860 1.00 0.00 C ATOM 894 NH1 ARG A 56 -2.682 11.179 -9.498 1.00 0.00 N ATOM 895 NH2 ARG A 56 -1.025 9.918 -10.472 1.00 0.00 N ATOM 0 H ARG A 56 -1.347 6.972 -5.577 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.280 8.928 -4.981 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.188 8.233 -7.221 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.373 6.943 -7.270 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.194 8.665 -7.099 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.973 9.920 -7.169 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.716 7.916 -9.317 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.804 9.664 -9.396 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.417 7.986 -9.789 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.573 11.238 -9.004 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.161 12.029 -9.714 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.641 9.008 -10.728 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.506 10.769 -10.687 1.00 0.00 H new ATOM 909 N LEU A 57 -4.297 5.799 -4.886 1.00 0.00 N ATOM 910 CA LEU A 57 -5.363 4.923 -4.416 1.00 0.00 C ATOM 911 C LEU A 57 -5.681 5.209 -2.951 1.00 0.00 C ATOM 912 O LEU A 57 -6.847 5.300 -2.557 1.00 0.00 O ATOM 913 CB LEU A 57 -4.953 3.459 -4.587 1.00 0.00 C ATOM 914 CG LEU A 57 -4.643 3.037 -6.024 1.00 0.00 C ATOM 915 CD1 LEU A 57 -4.066 1.633 -6.056 1.00 0.00 C ATOM 916 CD2 LEU A 57 -5.893 3.122 -6.888 1.00 0.00 C ATOM 0 H LEU A 57 -3.466 5.309 -5.216 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.257 5.113 -5.010 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.074 3.270 -3.971 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.753 2.826 -4.203 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.899 3.722 -6.429 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.852 1.351 -7.087 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.145 1.605 -5.474 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.786 0.934 -5.631 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.653 2.818 -7.907 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.660 2.462 -6.484 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.263 4.147 -6.893 1.00 0.00 H new ATOM 928 N CYS A 58 -4.633 5.367 -2.154 1.00 0.00 N ATOM 929 CA CYS A 58 -4.786 5.678 -0.740 1.00 0.00 C ATOM 930 C CYS A 58 -5.400 7.063 -0.555 1.00 0.00 C ATOM 931 O CYS A 58 -6.288 7.253 0.275 1.00 0.00 O ATOM 932 CB CYS A 58 -3.432 5.598 -0.035 1.00 0.00 C ATOM 933 SG CYS A 58 -2.611 3.997 -0.206 1.00 0.00 S ATOM 0 H CYS A 58 -3.665 5.285 -2.464 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.459 4.945 -0.295 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.779 6.374 -0.434 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.572 5.812 1.025 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.174 3.861 -1.423 1.00 0.00 H new ATOM 939 N ARG A 59 -4.934 8.023 -1.349 1.00 0.00 N ATOM 940 CA ARG A 59 -5.431 9.393 -1.275 1.00 0.00 C ATOM 941 C ARG A 59 -6.921 9.457 -1.579 1.00 0.00 C ATOM 942 O ARG A 59 -7.663 10.139 -0.881 1.00 0.00 O ATOM 943 CB ARG A 59 -4.676 10.301 -2.243 1.00 0.00 C ATOM 944 CG ARG A 59 -3.218 10.503 -1.885 1.00 0.00 C ATOM 945 CD ARG A 59 -2.513 11.352 -2.926 1.00 0.00 C ATOM 946 NE ARG A 59 -1.078 11.459 -2.675 1.00 0.00 N ATOM 947 CZ ARG A 59 -0.149 11.148 -3.573 1.00 0.00 C ATOM 948 NH1 ARG A 59 -0.504 10.730 -4.778 1.00 0.00 N ATOM 949 NH2 ARG A 59 1.134 11.270 -3.276 1.00 0.00 N ATOM 0 H ARG A 59 -4.211 7.876 -2.053 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.265 9.741 -0.256 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.738 9.878 -3.246 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.170 11.272 -2.275 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.143 10.982 -0.909 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.723 9.535 -1.804 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.676 10.921 -3.914 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.953 12.349 -2.937 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.772 11.791 -1.760 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.492 10.646 -5.018 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.210 10.492 -5.466 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.415 11.604 -2.354 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.843 11.030 -3.969 1.00 0.00 H new ATOM 963 N ALA A 60 -7.349 8.747 -2.620 1.00 0.00 N ATOM 964 CA ALA A 60 -8.756 8.731 -3.011 1.00 0.00 C ATOM 965 C ALA A 60 -9.625 8.160 -1.898 1.00 0.00 C ATOM 966 O ALA A 60 -10.723 8.657 -1.635 1.00 0.00 O ATOM 967 CB ALA A 60 -8.948 7.930 -4.288 1.00 0.00 C ATOM 0 H ALA A 60 -6.742 8.176 -3.208 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.064 9.761 -3.194 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.003 7.930 -4.562 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.364 8.380 -5.091 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.615 6.905 -4.128 1.00 0.00 H new ATOM 973 N SER A 61 -9.121 7.122 -1.243 1.00 0.00 N ATOM 974 CA SER A 61 -9.821 6.502 -0.128 1.00 0.00 C ATOM 975 C SER A 61 -9.965 7.500 1.017 1.00 0.00 C ATOM 976 O SER A 61 -11.006 7.584 1.665 1.00 0.00 O ATOM 977 CB SER A 61 -9.054 5.269 0.345 1.00 0.00 C ATOM 978 OG SER A 61 -8.785 4.389 -0.737 1.00 0.00 O ATOM 0 H SER A 61 -8.224 6.690 -1.467 1.00 0.00 H new ATOM 0 HA SER A 61 -10.815 6.197 -0.457 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.117 5.576 0.810 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.632 4.747 1.107 1.00 0.00 H new ATOM 0 HG SER A 61 -8.048 4.747 -1.274 1.00 0.00 H new ATOM 984 N LEU A 62 -8.911 8.273 1.234 1.00 0.00 N ATOM 985 CA LEU A 62 -8.888 9.278 2.287 1.00 0.00 C ATOM 986 C LEU A 62 -9.487 10.591 1.791 1.00 0.00 C ATOM 987 O LEU A 62 -9.400 11.616 2.467 1.00 0.00 O ATOM 988 CB LEU A 62 -7.447 9.518 2.744 1.00 0.00 C ATOM 989 CG LEU A 62 -6.708 8.284 3.269 1.00 0.00 C ATOM 990 CD1 LEU A 62 -5.225 8.582 3.422 1.00 0.00 C ATOM 991 CD2 LEU A 62 -7.297 7.832 4.596 1.00 0.00 C ATOM 0 H LEU A 62 -8.051 8.222 0.688 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.483 8.913 3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.883 9.929 1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.454 10.276 3.527 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.829 7.477 2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.712 7.696 3.796 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.808 8.861 2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.090 9.403 4.126 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.759 6.954 4.953 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.206 8.635 5.327 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.349 7.582 4.461 1.00 0.00 H new ATOM 1003 N MET A 63 -10.087 10.558 0.610 1.00 0.00 N ATOM 1004 CA MET A 63 -10.635 11.762 0.003 1.00 0.00 C ATOM 1005 C MET A 63 -12.155 11.701 -0.071 1.00 0.00 C ATOM 1006 O MET A 63 -12.837 12.598 0.428 1.00 0.00 O ATOM 1007 CB MET A 63 -10.054 11.978 -1.398 1.00 0.00 C ATOM 1008 CG MET A 63 -10.515 13.267 -2.063 1.00 0.00 C ATOM 1009 SD MET A 63 -9.770 13.520 -3.687 1.00 0.00 S ATOM 1010 CE MET A 63 -10.420 12.113 -4.586 1.00 0.00 C ATOM 0 H MET A 63 -10.207 9.712 0.054 1.00 0.00 H new ATOM 0 HA MET A 63 -10.354 12.604 0.636 1.00 0.00 H new ATOM 0 HB2 MET A 63 -8.966 11.983 -1.333 1.00 0.00 H new ATOM 0 HB3 MET A 63 -10.332 11.135 -2.030 1.00 0.00 H new ATOM 0 HG2 MET A 63 -11.600 13.250 -2.165 1.00 0.00 H new ATOM 0 HG3 MET A 63 -10.268 14.111 -1.419 1.00 0.00 H new ATOM 0 HE1 MET A 63 -10.770 12.438 -5.566 1.00 0.00 H new ATOM 0 HE2 MET A 63 -9.636 11.366 -4.710 1.00 0.00 H new ATOM 0 HE3 MET A 63 -11.250 11.678 -4.030 1.00 0.00 H new ATOM 1020 N GLY A 64 -12.692 10.651 -0.680 1.00 0.00 N ATOM 1021 CA GLY A 64 -14.127 10.592 -0.848 1.00 0.00 C ATOM 1022 C GLY A 64 -14.677 9.202 -1.110 1.00 0.00 C ATOM 1023 O GLY A 64 -15.396 8.654 -0.275 1.00 0.00 O ATOM 0 H GLY A 64 -12.172 9.857 -1.052 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -14.601 10.993 0.048 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.409 11.242 -1.676 1.00 0.00 H new ATOM 1027 N ASP A 65 -14.339 8.620 -2.252 1.00 0.00 N ATOM 1028 CA ASP A 65 -15.060 7.450 -2.735 1.00 0.00 C ATOM 1029 C ASP A 65 -14.133 6.330 -3.195 1.00 0.00 C ATOM 1030 O ASP A 65 -13.724 6.273 -4.355 1.00 0.00 O ATOM 1031 CB ASP A 65 -16.009 7.861 -3.868 1.00 0.00 C ATOM 1032 CG ASP A 65 -16.648 6.681 -4.574 1.00 0.00 C ATOM 1033 OD1 ASP A 65 -17.262 5.830 -3.901 1.00 0.00 O ATOM 1034 OD2 ASP A 65 -16.560 6.615 -5.817 1.00 0.00 O ATOM 0 H ASP A 65 -13.579 8.934 -2.856 1.00 0.00 H new ATOM 0 HA ASP A 65 -15.632 7.052 -1.897 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -16.793 8.500 -3.462 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -15.458 8.456 -4.596 1.00 0.00 H new ATOM 1039 N VAL A 66 -13.769 5.480 -2.248 1.00 0.00 N ATOM 1040 CA VAL A 66 -13.153 4.188 -2.535 1.00 0.00 C ATOM 1041 C VAL A 66 -13.709 3.140 -1.573 1.00 0.00 C ATOM 1042 O VAL A 66 -13.642 3.305 -0.354 1.00 0.00 O ATOM 1043 CB VAL A 66 -11.611 4.218 -2.418 1.00 0.00 C ATOM 1044 CG1 VAL A 66 -11.042 2.810 -2.466 1.00 0.00 C ATOM 1045 CG2 VAL A 66 -10.993 5.053 -3.524 1.00 0.00 C ATOM 0 H VAL A 66 -13.892 5.665 -1.252 1.00 0.00 H new ATOM 0 HA VAL A 66 -13.395 3.938 -3.568 1.00 0.00 H new ATOM 0 HB VAL A 66 -11.364 4.672 -1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.956 2.853 -2.382 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -11.447 2.226 -1.640 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -11.314 2.339 -3.411 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.908 5.055 -3.415 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -11.260 4.629 -4.492 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -11.366 6.075 -3.460 1.00 0.00 H new ATOM 1055 N ALA A 67 -14.266 2.069 -2.121 1.00 0.00 N ATOM 1056 CA ALA A 67 -14.914 1.050 -1.306 1.00 0.00 C ATOM 1057 C ALA A 67 -13.926 0.010 -0.781 1.00 0.00 C ATOM 1058 O ALA A 67 -13.752 -1.044 -1.391 1.00 0.00 O ATOM 1059 CB ALA A 67 -16.033 0.374 -2.088 1.00 0.00 C ATOM 0 H ALA A 67 -14.283 1.883 -3.124 1.00 0.00 H new ATOM 0 HA ALA A 67 -15.339 1.556 -0.439 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -16.506 -0.384 -1.464 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -16.774 1.118 -2.380 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -15.620 -0.096 -2.981 1.00 0.00 H new ATOM 1065 N GLY A 68 -13.248 0.370 0.315 1.00 0.00 N ATOM 1066 CA GLY A 68 -12.458 -0.564 1.128 1.00 0.00 C ATOM 1067 C GLY A 68 -11.743 -1.676 0.368 1.00 0.00 C ATOM 1068 O GLY A 68 -10.596 -1.513 -0.059 1.00 0.00 O ATOM 0 H GLY A 68 -13.232 1.327 0.667 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.713 0.008 1.681 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.119 -1.022 1.864 1.00 0.00 H new ATOM 1072 N GLU A 69 -12.426 -2.816 0.233 1.00 0.00 N ATOM 1073 CA GLU A 69 -11.867 -4.016 -0.394 1.00 0.00 C ATOM 1074 C GLU A 69 -11.262 -3.722 -1.770 1.00 0.00 C ATOM 1075 O GLU A 69 -10.255 -4.322 -2.149 1.00 0.00 O ATOM 1076 CB GLU A 69 -12.950 -5.091 -0.510 1.00 0.00 C ATOM 1077 CG GLU A 69 -12.437 -6.427 -1.023 1.00 0.00 C ATOM 1078 CD GLU A 69 -13.521 -7.479 -1.085 1.00 0.00 C ATOM 1079 OE1 GLU A 69 -13.787 -8.126 -0.051 1.00 0.00 O ATOM 1080 OE2 GLU A 69 -14.114 -7.671 -2.164 1.00 0.00 O ATOM 0 H GLU A 69 -13.386 -2.933 0.557 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.058 -4.376 0.242 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.407 -5.240 0.468 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.734 -4.733 -1.177 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.010 -6.291 -2.017 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.633 -6.776 -0.376 1.00 0.00 H new ATOM 1087 N ILE A 70 -11.863 -2.789 -2.503 1.00 0.00 N ATOM 1088 CA ILE A 70 -11.355 -2.409 -3.818 1.00 0.00 C ATOM 1089 C ILE A 70 -9.926 -1.883 -3.706 1.00 0.00 C ATOM 1090 O ILE A 70 -9.035 -2.310 -4.445 1.00 0.00 O ATOM 1091 CB ILE A 70 -12.247 -1.338 -4.489 1.00 0.00 C ATOM 1092 CG1 ILE A 70 -13.679 -1.858 -4.639 1.00 0.00 C ATOM 1093 CG2 ILE A 70 -11.681 -0.944 -5.847 1.00 0.00 C ATOM 1094 CD1 ILE A 70 -14.635 -0.854 -5.249 1.00 0.00 C ATOM 0 H ILE A 70 -12.699 -2.284 -2.210 1.00 0.00 H new ATOM 0 HA ILE A 70 -11.368 -3.304 -4.440 1.00 0.00 H new ATOM 0 HB ILE A 70 -12.262 -0.453 -3.853 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -13.666 -2.755 -5.258 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -14.053 -2.152 -3.658 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -12.322 -0.190 -6.303 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -10.678 -0.538 -5.719 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -11.638 -1.822 -6.492 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -15.629 -1.296 -5.323 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -14.679 0.035 -4.620 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -14.286 -0.578 -6.244 1.00 0.00 H new ATOM 1106 N ALA A 71 -9.709 -0.972 -2.760 1.00 0.00 N ATOM 1107 CA ALA A 71 -8.381 -0.432 -2.499 1.00 0.00 C ATOM 1108 C ALA A 71 -7.404 -1.533 -2.109 1.00 0.00 C ATOM 1109 O ALA A 71 -6.229 -1.472 -2.452 1.00 0.00 O ATOM 1110 CB ALA A 71 -8.438 0.618 -1.401 1.00 0.00 C ATOM 0 H ALA A 71 -10.441 -0.592 -2.160 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.027 0.032 -3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.437 1.010 -1.220 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.096 1.431 -1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.822 0.167 -0.486 1.00 0.00 H new ATOM 1116 N ARG A 72 -7.899 -2.545 -1.402 1.00 0.00 N ATOM 1117 CA ARG A 72 -7.046 -3.643 -0.956 1.00 0.00 C ATOM 1118 C ARG A 72 -6.487 -4.406 -2.150 1.00 0.00 C ATOM 1119 O ARG A 72 -5.277 -4.596 -2.266 1.00 0.00 O ATOM 1120 CB ARG A 72 -7.813 -4.604 -0.048 1.00 0.00 C ATOM 1121 CG ARG A 72 -6.940 -5.703 0.531 1.00 0.00 C ATOM 1122 CD ARG A 72 -7.769 -6.761 1.235 1.00 0.00 C ATOM 1123 NE ARG A 72 -6.934 -7.773 1.883 1.00 0.00 N ATOM 1124 CZ ARG A 72 -6.540 -8.905 1.297 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -6.898 -9.168 0.045 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -5.796 -9.779 1.961 1.00 0.00 N ATOM 0 H ARG A 72 -8.878 -2.628 -1.127 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.222 -3.210 -0.389 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.265 -4.040 0.768 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.628 -5.056 -0.613 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.360 -6.166 -0.267 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.228 -5.271 1.234 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.406 -6.285 1.981 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.429 -7.243 0.514 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.634 -7.602 2.843 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.475 -8.504 -0.471 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.595 -10.034 -0.401 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.522 -9.587 2.925 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.498 -10.643 1.508 1.00 0.00 H new ATOM 1140 N THR A 73 -7.372 -4.832 -3.042 1.00 0.00 N ATOM 1141 CA THR A 73 -6.964 -5.565 -4.232 1.00 0.00 C ATOM 1142 C THR A 73 -6.065 -4.699 -5.117 1.00 0.00 C ATOM 1143 O THR A 73 -5.085 -5.178 -5.689 1.00 0.00 O ATOM 1144 CB THR A 73 -8.190 -6.032 -5.039 1.00 0.00 C ATOM 1145 OG1 THR A 73 -9.109 -6.713 -4.173 1.00 0.00 O ATOM 1146 CG2 THR A 73 -7.777 -6.961 -6.173 1.00 0.00 C ATOM 0 H THR A 73 -8.378 -4.682 -2.963 1.00 0.00 H new ATOM 0 HA THR A 73 -6.405 -6.442 -3.906 1.00 0.00 H new ATOM 0 HB THR A 73 -8.670 -5.153 -5.470 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.888 -7.007 -4.689 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.662 -7.276 -6.726 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.097 -6.436 -6.844 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.276 -7.837 -5.761 1.00 0.00 H new ATOM 1154 N ALA A 74 -6.394 -3.415 -5.207 1.00 0.00 N ATOM 1155 CA ALA A 74 -5.593 -2.474 -5.975 1.00 0.00 C ATOM 1156 C ALA A 74 -4.215 -2.294 -5.341 1.00 0.00 C ATOM 1157 O ALA A 74 -3.214 -2.127 -6.036 1.00 0.00 O ATOM 1158 CB ALA A 74 -6.312 -1.139 -6.084 1.00 0.00 C ATOM 0 H ALA A 74 -7.211 -3.003 -4.756 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.453 -2.876 -6.978 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.702 -0.443 -6.661 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.270 -1.282 -6.583 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.479 -0.733 -5.086 1.00 0.00 H new ATOM 1164 N PHE A 75 -4.173 -2.345 -4.014 1.00 0.00 N ATOM 1165 CA PHE A 75 -2.921 -2.233 -3.281 1.00 0.00 C ATOM 1166 C PHE A 75 -2.059 -3.469 -3.525 1.00 0.00 C ATOM 1167 O PHE A 75 -0.839 -3.374 -3.618 1.00 0.00 O ATOM 1168 CB PHE A 75 -3.191 -2.060 -1.782 1.00 0.00 C ATOM 1169 CG PHE A 75 -1.984 -1.649 -0.989 1.00 0.00 C ATOM 1170 CD1 PHE A 75 -1.616 -0.314 -0.904 1.00 0.00 C ATOM 1171 CD2 PHE A 75 -1.217 -2.594 -0.326 1.00 0.00 C ATOM 1172 CE1 PHE A 75 -0.509 0.068 -0.172 1.00 0.00 C ATOM 1173 CE2 PHE A 75 -0.109 -2.216 0.408 1.00 0.00 C ATOM 1174 CZ PHE A 75 0.246 -0.884 0.484 1.00 0.00 C ATOM 0 H PHE A 75 -4.996 -2.464 -3.424 1.00 0.00 H new ATOM 0 HA PHE A 75 -2.385 -1.354 -3.638 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.973 -1.313 -1.648 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.574 -2.998 -1.381 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.202 0.435 -1.416 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.488 -3.638 -0.384 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -0.234 1.111 -0.113 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.479 -2.962 0.922 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.113 -0.587 1.056 1.00 0.00 H new ATOM 1184 N VAL A 76 -2.705 -4.627 -3.628 1.00 0.00 N ATOM 1185 CA VAL A 76 -2.007 -5.869 -3.953 1.00 0.00 C ATOM 1186 C VAL A 76 -1.440 -5.805 -5.371 1.00 0.00 C ATOM 1187 O VAL A 76 -0.336 -6.277 -5.634 1.00 0.00 O ATOM 1188 CB VAL A 76 -2.939 -7.097 -3.806 1.00 0.00 C ATOM 1189 CG1 VAL A 76 -2.269 -8.361 -4.327 1.00 0.00 C ATOM 1190 CG2 VAL A 76 -3.345 -7.282 -2.352 1.00 0.00 C ATOM 0 H VAL A 76 -3.710 -4.732 -3.491 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.186 -5.984 -3.246 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.832 -6.914 -4.404 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.947 -9.207 -4.211 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.024 -8.235 -5.382 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.356 -8.548 -3.762 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.000 -8.149 -2.265 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.455 -7.437 -1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.872 -6.393 -2.005 1.00 0.00 H new ATOM 1200 N ALA A 77 -2.194 -5.193 -6.275 1.00 0.00 N ATOM 1201 CA ALA A 77 -1.742 -5.004 -7.648 1.00 0.00 C ATOM 1202 C ALA A 77 -0.553 -4.047 -7.700 1.00 0.00 C ATOM 1203 O ALA A 77 0.305 -4.149 -8.574 1.00 0.00 O ATOM 1204 CB ALA A 77 -2.881 -4.488 -8.515 1.00 0.00 C ATOM 0 H ALA A 77 -3.123 -4.818 -6.082 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.419 -5.969 -8.038 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.527 -4.352 -9.537 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.699 -5.208 -8.507 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.233 -3.534 -8.123 1.00 0.00 H new ATOM 1210 N ALA A 78 -0.507 -3.115 -6.758 1.00 0.00 N ATOM 1211 CA ALA A 78 0.605 -2.178 -6.664 1.00 0.00 C ATOM 1212 C ALA A 78 1.807 -2.825 -5.984 1.00 0.00 C ATOM 1213 O ALA A 78 2.945 -2.663 -6.423 1.00 0.00 O ATOM 1214 CB ALA A 78 0.179 -0.925 -5.917 1.00 0.00 C ATOM 0 H ALA A 78 -1.227 -2.987 -6.047 1.00 0.00 H new ATOM 0 HA ALA A 78 0.901 -1.897 -7.675 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.020 -0.235 -5.855 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.644 -0.447 -6.448 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.145 -1.193 -4.911 1.00 0.00 H new ATOM 1220 N SER A 79 1.548 -3.582 -4.923 1.00 0.00 N ATOM 1221 CA SER A 79 2.610 -4.239 -4.172 1.00 0.00 C ATOM 1222 C SER A 79 3.175 -5.431 -4.940 1.00 0.00 C ATOM 1223 O SER A 79 4.206 -5.991 -4.565 1.00 0.00 O ATOM 1224 CB SER A 79 2.100 -4.675 -2.796 1.00 0.00 C ATOM 1225 OG SER A 79 0.871 -5.368 -2.902 1.00 0.00 O ATOM 0 H SER A 79 0.609 -3.756 -4.564 1.00 0.00 H new ATOM 0 HA SER A 79 3.418 -3.521 -4.032 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.841 -5.315 -2.316 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.973 -3.800 -2.158 1.00 0.00 H new ATOM 0 HG SER A 79 0.141 -4.724 -3.017 1.00 0.00 H new ATOM 1231 N ARG A 80 2.507 -5.810 -6.025 1.00 0.00 N ATOM 1232 CA ARG A 80 3.004 -6.867 -6.897 1.00 0.00 C ATOM 1233 C ARG A 80 4.344 -6.447 -7.493 1.00 0.00 C ATOM 1234 O ARG A 80 5.182 -7.281 -7.836 1.00 0.00 O ATOM 1235 CB ARG A 80 2.005 -7.158 -8.022 1.00 0.00 C ATOM 1236 CG ARG A 80 2.232 -8.502 -8.703 1.00 0.00 C ATOM 1237 CD ARG A 80 1.503 -8.587 -10.034 1.00 0.00 C ATOM 1238 NE ARG A 80 2.130 -7.734 -11.045 1.00 0.00 N ATOM 1239 CZ ARG A 80 1.699 -7.607 -12.299 1.00 0.00 C ATOM 1240 NH1 ARG A 80 0.614 -8.254 -12.704 1.00 0.00 N ATOM 1241 NH2 ARG A 80 2.356 -6.821 -13.145 1.00 0.00 N ATOM 0 H ARG A 80 1.621 -5.401 -6.321 1.00 0.00 H new ATOM 0 HA ARG A 80 3.132 -7.775 -6.307 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.994 -7.132 -7.615 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.069 -6.366 -8.768 1.00 0.00 H new ATOM 0 HG2 ARG A 80 3.300 -8.654 -8.862 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.890 -9.304 -8.049 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.497 -9.620 -10.381 1.00 0.00 H new ATOM 0 HD3 ARG A 80 0.463 -8.290 -9.900 1.00 0.00 H new ATOM 0 HE ARG A 80 2.954 -7.200 -10.770 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.105 -8.853 -12.054 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.289 -8.153 -13.665 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.187 -6.318 -12.833 1.00 0.00 H new ATOM 0 HH22 ARG A 80 2.030 -6.721 -14.106 1.00 0.00 H new ATOM 1255 N GLN A 81 4.546 -5.135 -7.586 1.00 0.00 N ATOM 1256 CA GLN A 81 5.785 -4.575 -8.106 1.00 0.00 C ATOM 1257 C GLN A 81 6.941 -4.797 -7.130 1.00 0.00 C ATOM 1258 O GLN A 81 8.106 -4.599 -7.475 1.00 0.00 O ATOM 1259 CB GLN A 81 5.605 -3.080 -8.388 1.00 0.00 C ATOM 1260 CG GLN A 81 4.654 -2.793 -9.539 1.00 0.00 C ATOM 1261 CD GLN A 81 5.220 -3.216 -10.881 1.00 0.00 C ATOM 1262 OE1 GLN A 81 6.433 -3.180 -11.096 1.00 0.00 O ATOM 1263 NE2 GLN A 81 4.351 -3.617 -11.793 1.00 0.00 N ATOM 0 H GLN A 81 3.859 -4.436 -7.304 1.00 0.00 H new ATOM 0 HA GLN A 81 6.029 -5.087 -9.037 1.00 0.00 H new ATOM 0 HB2 GLN A 81 5.233 -2.590 -7.488 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.577 -2.640 -8.611 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.712 -3.313 -9.366 1.00 0.00 H new ATOM 0 HG3 GLN A 81 4.430 -1.727 -9.563 1.00 0.00 H new ATOM 0 HE21 GLN A 81 3.354 -3.632 -11.576 1.00 0.00 H new ATOM 0 HE22 GLN A 81 4.677 -3.911 -12.714 1.00 0.00 H new ATOM 1272 N ALA A 82 6.617 -5.216 -5.910 1.00 0.00 N ATOM 1273 CA ALA A 82 7.638 -5.544 -4.921 1.00 0.00 C ATOM 1274 C ALA A 82 8.108 -6.983 -5.102 1.00 0.00 C ATOM 1275 O ALA A 82 9.084 -7.410 -4.486 1.00 0.00 O ATOM 1276 CB ALA A 82 7.111 -5.325 -3.511 1.00 0.00 C ATOM 0 H ALA A 82 5.658 -5.336 -5.584 1.00 0.00 H new ATOM 0 HA ALA A 82 8.490 -4.880 -5.071 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.888 -5.576 -2.789 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.824 -4.281 -3.388 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.242 -5.962 -3.344 1.00 0.00 H new ATOM 1282 N HIS A 83 7.391 -7.717 -5.956 1.00 0.00 N ATOM 1283 CA HIS A 83 7.740 -9.095 -6.311 1.00 0.00 C ATOM 1284 C HIS A 83 7.638 -10.028 -5.104 1.00 0.00 C ATOM 1285 O HIS A 83 8.279 -11.077 -5.064 1.00 0.00 O ATOM 1286 CB HIS A 83 9.151 -9.167 -6.917 1.00 0.00 C ATOM 1287 CG HIS A 83 9.326 -8.343 -8.160 1.00 0.00 C ATOM 1288 ND1 HIS A 83 8.977 -8.787 -9.417 1.00 0.00 N ATOM 1289 CD2 HIS A 83 9.814 -7.090 -8.332 1.00 0.00 C ATOM 1290 CE1 HIS A 83 9.242 -7.848 -10.305 1.00 0.00 C ATOM 1291 NE2 HIS A 83 9.747 -6.808 -9.673 1.00 0.00 N ATOM 0 H HIS A 83 6.551 -7.373 -6.421 1.00 0.00 H new ATOM 0 HA HIS A 83 7.021 -9.428 -7.059 1.00 0.00 H new ATOM 0 HB2 HIS A 83 9.873 -8.837 -6.170 1.00 0.00 H new ATOM 0 HB3 HIS A 83 9.384 -10.207 -7.147 1.00 0.00 H new ATOM 0 HD2 HIS A 83 10.186 -6.436 -7.558 1.00 0.00 H new ATOM 0 HE1 HIS A 83 9.074 -7.920 -11.369 1.00 0.00 H new ATOM 0 HE2 HIS A 83 10.041 -5.934 -10.110 1.00 0.00 H new ATOM 1300 N CYS A 84 6.810 -9.656 -4.133 1.00 0.00 N ATOM 1301 CA CYS A 84 6.622 -10.466 -2.942 1.00 0.00 C ATOM 1302 C CYS A 84 5.259 -10.179 -2.322 1.00 0.00 C ATOM 1303 O CYS A 84 5.097 -9.233 -1.553 1.00 0.00 O ATOM 1304 CB CYS A 84 7.738 -10.198 -1.926 1.00 0.00 C ATOM 1305 SG CYS A 84 7.717 -11.300 -0.491 1.00 0.00 S ATOM 0 H CYS A 84 6.260 -8.797 -4.151 1.00 0.00 H new ATOM 0 HA CYS A 84 6.664 -11.517 -3.227 1.00 0.00 H new ATOM 0 HB2 CYS A 84 8.701 -10.292 -2.428 1.00 0.00 H new ATOM 0 HB3 CYS A 84 7.659 -9.168 -1.580 1.00 0.00 H new ATOM 0 HG CYS A 84 8.698 -10.994 0.305 1.00 0.00 H new ATOM 1311 N LEU A 85 4.273 -10.979 -2.693 1.00 0.00 N ATOM 1312 CA LEU A 85 2.931 -10.838 -2.149 1.00 0.00 C ATOM 1313 C LEU A 85 2.724 -11.806 -0.995 1.00 0.00 C ATOM 1314 O LEU A 85 3.199 -12.941 -1.041 1.00 0.00 O ATOM 1315 CB LEU A 85 1.882 -11.090 -3.234 1.00 0.00 C ATOM 1316 CG LEU A 85 1.886 -10.085 -4.385 1.00 0.00 C ATOM 1317 CD1 LEU A 85 0.872 -10.484 -5.444 1.00 0.00 C ATOM 1318 CD2 LEU A 85 1.592 -8.687 -3.869 1.00 0.00 C ATOM 0 H LEU A 85 4.376 -11.735 -3.370 1.00 0.00 H new ATOM 0 HA LEU A 85 2.817 -9.818 -1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.038 -12.088 -3.643 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.895 -11.085 -2.771 1.00 0.00 H new ATOM 0 HG LEU A 85 2.877 -10.085 -4.839 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.889 -9.757 -6.256 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.123 -11.470 -5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.124 -10.511 -5.002 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.599 -7.983 -4.701 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.613 -8.674 -3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.354 -8.399 -3.144 1.00 0.00 H new ATOM 1330 N MET A 86 2.016 -11.360 0.036 1.00 0.00 N ATOM 1331 CA MET A 86 1.778 -12.196 1.208 1.00 0.00 C ATOM 1332 C MET A 86 0.807 -13.325 0.883 1.00 0.00 C ATOM 1333 O MET A 86 0.934 -14.435 1.401 1.00 0.00 O ATOM 1334 CB MET A 86 1.224 -11.370 2.370 1.00 0.00 C ATOM 1335 CG MET A 86 1.065 -12.176 3.651 1.00 0.00 C ATOM 1336 SD MET A 86 0.165 -11.291 4.934 1.00 0.00 S ATOM 1337 CE MET A 86 -1.441 -11.112 4.162 1.00 0.00 C ATOM 0 H MET A 86 1.599 -10.431 0.085 1.00 0.00 H new ATOM 0 HA MET A 86 2.737 -12.623 1.502 1.00 0.00 H new ATOM 0 HB2 MET A 86 1.889 -10.527 2.558 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.257 -10.956 2.085 1.00 0.00 H new ATOM 0 HG2 MET A 86 0.544 -13.106 3.426 1.00 0.00 H new ATOM 0 HG3 MET A 86 2.051 -12.446 4.028 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.203 -10.988 4.932 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.436 -10.238 3.511 1.00 0.00 H new ATOM 0 HE3 MET A 86 -1.663 -12.002 3.573 1.00 0.00 H new