USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 583 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 ASN : amide:sc= -0.0612 K(o=0.64,f=-5.1!) USER MOD Set 1.2: A 68 GLN : amide:sc= 0.701 K(o=0.64,f=-2.9) USER MOD Set 2.1: A 39 GLN : amide:sc= 0.297 K(o=0.43,f=-3.5) USER MOD Set 2.2: A 81 GLN : amide:sc= 0.133 K(o=0.43,f=-3) USER MOD Single : A 12 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.094) USER MOD Single : A 14 LYS NZ :NH3+ -132:sc= -0.724 (180deg=-2.91!) USER MOD Single : A 15 GLN : amide:sc= -1.01 X(o=-1,f=-0.99) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0434 USER MOD Single : A 20 THR OG1 : rot -29:sc= 0.105 USER MOD Single : A 24 LYS NZ :NH3+ -153:sc= 1.24 (180deg=0.904) USER MOD Single : A 28 ASN : amide:sc= -0.0154 K(o=-0.015,f=-0.98) USER MOD Single : A 33 LYS NZ :NH3+ 176:sc= 1.1 (180deg=1.09) USER MOD Single : A 34 LYS NZ :NH3+ 156:sc= 0.663 (180deg=0.346) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= 0.792 K(o=0.79,f=-3.9!) USER MOD Single : A 42 CYS SG : rot 140:sc= -0.542 USER MOD Single : A 45 THR OG1 : rot 180:sc=-0.00203 USER MOD Single : A 47 HIS : no HD1:sc= 0.698 K(o=0.7,f=-2.3!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.233 K(o=-0.23,f=-1.7) USER MOD Single : A 52 SER OG : rot -135:sc= 0.466 USER MOD Single : A 53 SER OG : rot -20:sc= 0.306 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 66 LYS NZ :NH3+ -168:sc=-0.00942 (180deg=-0.168) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.556 USER MOD Single : A 70 GLN : amide:sc= -0.335 K(o=-0.34,f=-1.7) USER MOD Single : A 74 ASN : amide:sc= 0.962 K(o=0.96,f=0) USER MOD Single : A 77 MET CE :methyl -165:sc= -0.103 (180deg=-0.244) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 136:sc= -0.242 (180deg=-1.01) USER MOD ----------------------------------------------------------------- ATOM 128 N VAL A 10 9.281 14.948 -11.119 1.00 0.00 N ATOM 129 CA VAL A 10 9.281 15.751 -9.904 1.00 0.00 C ATOM 130 C VAL A 10 8.449 17.018 -10.077 1.00 0.00 C ATOM 131 O VAL A 10 8.261 17.496 -11.196 1.00 0.00 O ATOM 132 CB VAL A 10 10.708 16.103 -9.458 1.00 0.00 C ATOM 133 CG1 VAL A 10 11.610 14.875 -9.369 1.00 0.00 C ATOM 134 CG2 VAL A 10 11.349 17.106 -10.415 1.00 0.00 C ATOM 0 HA VAL A 10 8.824 15.146 -9.121 1.00 0.00 H new ATOM 0 HB VAL A 10 10.614 16.540 -8.464 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.607 15.178 -9.050 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.196 14.171 -8.647 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.672 14.397 -10.347 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.359 17.338 -10.076 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.392 16.677 -11.416 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.755 18.019 -10.437 1.00 0.00 H new ATOM 144 N GLU A 11 7.955 17.559 -8.964 1.00 0.00 N ATOM 145 CA GLU A 11 7.200 18.805 -8.941 1.00 0.00 C ATOM 146 C GLU A 11 8.148 19.999 -8.866 1.00 0.00 C ATOM 147 O GLU A 11 9.302 19.852 -8.470 1.00 0.00 O ATOM 148 CB GLU A 11 6.237 18.806 -7.754 1.00 0.00 C ATOM 149 CG GLU A 11 5.125 17.771 -7.952 1.00 0.00 C ATOM 150 CD GLU A 11 4.162 18.133 -9.086 1.00 0.00 C ATOM 151 OE1 GLU A 11 3.281 17.288 -9.369 1.00 0.00 O ATOM 152 OE2 GLU A 11 4.303 19.235 -9.660 1.00 0.00 O ATOM 0 H GLU A 11 8.071 17.137 -8.043 1.00 0.00 H new ATOM 0 HA GLU A 11 6.621 18.887 -9.861 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.784 18.587 -6.837 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.800 19.797 -7.636 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.574 16.800 -8.161 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.562 17.669 -7.024 1.00 0.00 H new ATOM 159 N LYS A 12 7.653 21.182 -9.241 1.00 0.00 N ATOM 160 CA LYS A 12 8.432 22.412 -9.221 1.00 0.00 C ATOM 161 C LYS A 12 7.590 23.627 -8.846 1.00 0.00 C ATOM 162 O LYS A 12 6.390 23.674 -9.114 1.00 0.00 O ATOM 163 CB LYS A 12 9.109 22.642 -10.575 1.00 0.00 C ATOM 164 CG LYS A 12 10.451 21.916 -10.657 1.00 0.00 C ATOM 165 CD LYS A 12 11.146 22.272 -11.971 1.00 0.00 C ATOM 166 CE LYS A 12 12.571 21.715 -12.001 1.00 0.00 C ATOM 167 NZ LYS A 12 12.582 20.242 -11.907 1.00 0.00 N ATOM 0 H LYS A 12 6.695 21.308 -9.568 1.00 0.00 H new ATOM 0 HA LYS A 12 9.194 22.291 -8.451 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.455 22.293 -11.374 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.261 23.710 -10.731 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.081 22.197 -9.813 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.298 20.839 -10.595 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.576 21.871 -12.809 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.171 23.355 -12.092 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.064 22.025 -12.923 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.144 22.137 -11.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.551 19.892 -12.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.243 19.952 -10.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.959 19.843 -12.638 1.00 0.00 H new ATOM 181 N ILE A 13 8.250 24.606 -8.225 1.00 0.00 N ATOM 182 CA ILE A 13 7.673 25.889 -7.847 1.00 0.00 C ATOM 183 C ILE A 13 8.758 26.957 -8.000 1.00 0.00 C ATOM 184 O ILE A 13 9.944 26.661 -7.843 1.00 0.00 O ATOM 185 CB ILE A 13 7.141 25.837 -6.402 1.00 0.00 C ATOM 186 CG1 ILE A 13 5.889 24.947 -6.334 1.00 0.00 C ATOM 187 CG2 ILE A 13 6.816 27.245 -5.891 1.00 0.00 C ATOM 188 CD1 ILE A 13 5.294 24.904 -4.928 1.00 0.00 C ATOM 0 H ILE A 13 9.233 24.521 -7.965 1.00 0.00 H new ATOM 0 HA ILE A 13 6.827 26.130 -8.491 1.00 0.00 H new ATOM 0 HB ILE A 13 7.916 25.412 -5.764 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.141 25.320 -7.033 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.145 23.936 -6.650 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.442 27.184 -4.869 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.718 27.857 -5.911 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.056 27.697 -6.529 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.412 24.264 -4.926 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.033 24.506 -4.232 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.012 25.911 -4.621 1.00 0.00 H new ATOM 200 N LYS A 14 8.360 28.191 -8.306 1.00 0.00 N ATOM 201 CA LYS A 14 9.284 29.307 -8.429 1.00 0.00 C ATOM 202 C LYS A 14 8.630 30.584 -7.915 1.00 0.00 C ATOM 203 O LYS A 14 7.460 30.838 -8.204 1.00 0.00 O ATOM 204 CB LYS A 14 9.744 29.445 -9.880 1.00 0.00 C ATOM 205 CG LYS A 14 10.602 30.702 -10.055 1.00 0.00 C ATOM 206 CD LYS A 14 11.294 30.792 -11.419 1.00 0.00 C ATOM 207 CE LYS A 14 10.330 30.930 -12.602 1.00 0.00 C ATOM 208 NZ LYS A 14 9.654 29.660 -12.926 1.00 0.00 N ATOM 0 H LYS A 14 7.386 28.441 -8.475 1.00 0.00 H new ATOM 0 HA LYS A 14 10.168 29.121 -7.819 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.316 28.564 -10.171 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.877 29.495 -10.539 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.973 31.582 -9.918 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.359 30.726 -9.271 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.972 31.646 -11.415 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.905 29.901 -11.564 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.582 31.688 -12.371 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.879 31.280 -13.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.712 29.487 -13.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.117 28.880 -12.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.656 29.715 -12.640 1.00 0.00 H new ATOM 222 N GLN A 15 9.388 31.381 -7.157 1.00 0.00 N ATOM 223 CA GLN A 15 8.907 32.643 -6.619 1.00 0.00 C ATOM 224 C GLN A 15 10.079 33.558 -6.269 1.00 0.00 C ATOM 225 O GLN A 15 11.158 33.085 -5.919 1.00 0.00 O ATOM 226 CB GLN A 15 8.019 32.368 -5.396 1.00 0.00 C ATOM 227 CG GLN A 15 7.560 33.658 -4.711 1.00 0.00 C ATOM 228 CD GLN A 15 6.840 34.595 -5.674 1.00 0.00 C ATOM 229 OE1 GLN A 15 6.072 34.161 -6.525 1.00 0.00 O ATOM 230 NE2 GLN A 15 7.089 35.896 -5.549 1.00 0.00 N ATOM 0 H GLN A 15 10.352 31.164 -6.903 1.00 0.00 H new ATOM 0 HA GLN A 15 8.310 33.158 -7.372 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.146 31.793 -5.705 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.568 31.755 -4.681 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.896 33.411 -3.882 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.424 34.169 -4.286 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.734 36.225 -4.830 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.635 36.564 -6.172 1.00 0.00 H new ATOM 239 N TRP A 16 9.860 34.868 -6.368 1.00 0.00 N ATOM 240 CA TRP A 16 10.856 35.882 -6.066 1.00 0.00 C ATOM 241 C TRP A 16 10.807 36.287 -4.597 1.00 0.00 C ATOM 242 O TRP A 16 9.741 36.271 -3.981 1.00 0.00 O ATOM 243 CB TRP A 16 10.594 37.092 -6.958 1.00 0.00 C ATOM 244 CG TRP A 16 10.602 36.811 -8.428 1.00 0.00 C ATOM 245 CD1 TRP A 16 9.596 36.235 -9.121 1.00 0.00 C ATOM 246 CD2 TRP A 16 11.674 37.031 -9.397 1.00 0.00 C ATOM 247 NE1 TRP A 16 9.968 36.073 -10.440 1.00 0.00 N ATOM 248 CE2 TRP A 16 11.241 36.559 -10.669 1.00 0.00 C ATOM 249 CE3 TRP A 16 12.958 37.601 -9.339 1.00 0.00 C ATOM 250 CZ2 TRP A 16 12.046 36.635 -11.814 1.00 0.00 C ATOM 251 CZ3 TRP A 16 13.767 37.690 -10.481 1.00 0.00 C ATOM 252 CH2 TRP A 16 13.319 37.209 -11.716 1.00 0.00 C ATOM 0 H TRP A 16 8.966 35.257 -6.667 1.00 0.00 H new ATOM 0 HA TRP A 16 11.850 35.479 -6.257 1.00 0.00 H new ATOM 0 HB2 TRP A 16 9.627 37.518 -6.691 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.347 37.851 -6.745 1.00 0.00 H new ATOM 0 HD1 TRP A 16 8.643 35.945 -8.705 1.00 0.00 H new ATOM 0 HE1 TRP A 16 9.378 35.648 -11.155 1.00 0.00 H new ATOM 0 HE3 TRP A 16 13.328 37.977 -8.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 11.689 36.256 -12.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 14.748 38.135 -10.406 1.00 0.00 H new ATOM 0 HH2 TRP A 16 13.951 37.280 -12.589 1.00 0.00 H new ATOM 263 N ILE A 17 11.962 36.656 -4.040 1.00 0.00 N ATOM 264 CA ILE A 17 12.072 37.192 -2.691 1.00 0.00 C ATOM 265 C ILE A 17 13.004 38.402 -2.755 1.00 0.00 C ATOM 266 O ILE A 17 13.964 38.399 -3.526 1.00 0.00 O ATOM 267 CB ILE A 17 12.580 36.128 -1.700 1.00 0.00 C ATOM 268 CG1 ILE A 17 14.112 36.025 -1.710 1.00 0.00 C ATOM 269 CG2 ILE A 17 11.926 34.765 -1.950 1.00 0.00 C ATOM 270 CD1 ILE A 17 14.615 34.973 -0.724 1.00 0.00 C ATOM 0 H ILE A 17 12.857 36.588 -4.524 1.00 0.00 H new ATOM 0 HA ILE A 17 11.092 37.495 -2.322 1.00 0.00 H new ATOM 0 HB ILE A 17 12.284 36.454 -0.703 1.00 0.00 H new ATOM 0 HG12 ILE A 17 14.453 35.775 -2.714 1.00 0.00 H new ATOM 0 HG13 ILE A 17 14.543 36.994 -1.459 1.00 0.00 H new ATOM 0 HG21 ILE A 17 12.309 34.040 -1.232 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.846 34.853 -1.835 1.00 0.00 H new ATOM 0 HG23 ILE A 17 12.157 34.431 -2.961 1.00 0.00 H new ATOM 0 HD11 ILE A 17 15.704 34.931 -0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 17 14.296 35.237 0.284 1.00 0.00 H new ATOM 0 HD13 ILE A 17 14.205 33.999 -0.990 1.00 0.00 H new ATOM 282 N PRO A 18 12.739 39.443 -1.956 1.00 0.00 N ATOM 283 CA PRO A 18 13.529 40.660 -1.955 1.00 0.00 C ATOM 284 C PRO A 18 14.959 40.360 -1.511 1.00 0.00 C ATOM 285 O PRO A 18 15.185 39.505 -0.654 1.00 0.00 O ATOM 286 CB PRO A 18 12.816 41.600 -0.984 1.00 0.00 C ATOM 287 CG PRO A 18 12.079 40.643 -0.045 1.00 0.00 C ATOM 288 CD PRO A 18 11.670 39.512 -0.981 1.00 0.00 C ATOM 0 HA PRO A 18 13.609 41.109 -2.945 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.522 42.230 -0.443 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.126 42.266 -1.502 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.722 40.290 0.761 1.00 0.00 H new ATOM 0 HG3 PRO A 18 11.215 41.117 0.421 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.563 38.570 -0.442 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.711 39.718 -1.457 1.00 0.00 H new ATOM 296 N THR A 19 15.929 41.065 -2.092 1.00 0.00 N ATOM 297 CA THR A 19 17.339 40.829 -1.817 1.00 0.00 C ATOM 298 C THR A 19 17.773 40.987 -0.364 1.00 0.00 C ATOM 299 O THR A 19 18.817 40.473 0.029 1.00 0.00 O ATOM 300 CB THR A 19 18.240 41.590 -2.795 1.00 0.00 C ATOM 301 OG1 THR A 19 17.558 41.818 -4.012 1.00 0.00 O ATOM 302 CG2 THR A 19 19.532 40.824 -3.066 1.00 0.00 C ATOM 0 H THR A 19 15.757 41.813 -2.764 1.00 0.00 H new ATOM 0 HA THR A 19 17.473 39.762 -1.993 1.00 0.00 H new ATOM 0 HB THR A 19 18.496 42.546 -2.338 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.143 42.306 -4.628 1.00 0.00 H new ATOM 0 HG21 THR A 19 20.151 41.389 -3.763 1.00 0.00 H new ATOM 0 HG22 THR A 19 20.075 40.684 -2.131 1.00 0.00 H new ATOM 0 HG23 THR A 19 19.295 39.851 -3.497 1.00 0.00 H new ATOM 310 N THR A 20 16.971 41.697 0.435 1.00 0.00 N ATOM 311 CA THR A 20 17.237 41.875 1.855 1.00 0.00 C ATOM 312 C THR A 20 16.874 40.663 2.712 1.00 0.00 C ATOM 313 O THR A 20 17.240 40.593 3.885 1.00 0.00 O ATOM 314 CB THR A 20 16.605 43.181 2.353 1.00 0.00 C ATOM 315 OG1 THR A 20 17.215 43.576 3.563 1.00 0.00 O ATOM 316 CG2 THR A 20 15.111 43.006 2.616 1.00 0.00 C ATOM 0 H THR A 20 16.122 42.161 0.111 1.00 0.00 H new ATOM 0 HA THR A 20 18.318 41.958 1.972 1.00 0.00 H new ATOM 0 HB THR A 20 16.752 43.934 1.579 1.00 0.00 H new ATOM 0 HG1 THR A 20 17.523 42.782 4.048 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.691 43.948 2.968 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.612 42.708 1.694 1.00 0.00 H new ATOM 0 HG23 THR A 20 14.963 42.237 3.374 1.00 0.00 H new ATOM 324 N GLU A 21 16.151 39.699 2.128 1.00 0.00 N ATOM 325 CA GLU A 21 15.756 38.484 2.825 1.00 0.00 C ATOM 326 C GLU A 21 16.505 37.261 2.296 1.00 0.00 C ATOM 327 O GLU A 21 16.369 36.172 2.852 1.00 0.00 O ATOM 328 CB GLU A 21 14.244 38.276 2.718 1.00 0.00 C ATOM 329 CG GLU A 21 13.439 39.448 3.279 1.00 0.00 C ATOM 330 CD GLU A 21 13.665 39.688 4.771 1.00 0.00 C ATOM 331 OE1 GLU A 21 13.202 40.745 5.256 1.00 0.00 O ATOM 332 OE2 GLU A 21 14.294 38.826 5.426 1.00 0.00 O ATOM 0 H GLU A 21 15.828 39.746 1.162 1.00 0.00 H new ATOM 0 HA GLU A 21 16.022 38.603 3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 21 13.976 38.126 1.672 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.969 37.366 3.251 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.700 40.353 2.730 1.00 0.00 H new ATOM 0 HG3 GLU A 21 12.378 39.265 3.106 1.00 0.00 H new ATOM 339 N VAL A 22 17.297 37.420 1.231 1.00 0.00 N ATOM 340 CA VAL A 22 18.108 36.323 0.713 1.00 0.00 C ATOM 341 C VAL A 22 19.145 35.938 1.768 1.00 0.00 C ATOM 342 O VAL A 22 19.620 34.801 1.792 1.00 0.00 O ATOM 343 CB VAL A 22 18.786 36.763 -0.590 1.00 0.00 C ATOM 344 CG1 VAL A 22 19.753 35.694 -1.102 1.00 0.00 C ATOM 345 CG2 VAL A 22 17.739 37.032 -1.673 1.00 0.00 C ATOM 0 H VAL A 22 17.391 38.295 0.715 1.00 0.00 H new ATOM 0 HA VAL A 22 17.485 35.455 0.497 1.00 0.00 H new ATOM 0 HB VAL A 22 19.342 37.675 -0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 22 20.217 36.036 -2.027 1.00 0.00 H new ATOM 0 HG12 VAL A 22 20.525 35.513 -0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 22 19.207 34.770 -1.291 1.00 0.00 H new ATOM 0 HG21 VAL A 22 18.237 37.343 -2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 22 17.168 36.123 -1.860 1.00 0.00 H new ATOM 0 HG23 VAL A 22 17.066 37.822 -1.340 1.00 0.00 H new ATOM 355 N GLY A 23 19.496 36.879 2.650 1.00 0.00 N ATOM 356 CA GLY A 23 20.448 36.642 3.726 1.00 0.00 C ATOM 357 C GLY A 23 19.863 35.754 4.822 1.00 0.00 C ATOM 358 O GLY A 23 20.603 35.287 5.682 1.00 0.00 O ATOM 0 H GLY A 23 19.123 37.828 2.633 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.345 36.174 3.320 1.00 0.00 H new ATOM 0 HA3 GLY A 23 20.753 37.596 4.157 1.00 0.00 H new ATOM 362 N LYS A 24 18.547 35.507 4.806 1.00 0.00 N ATOM 363 CA LYS A 24 17.924 34.600 5.760 1.00 0.00 C ATOM 364 C LYS A 24 18.064 33.159 5.288 1.00 0.00 C ATOM 365 O LYS A 24 18.055 32.242 6.107 1.00 0.00 O ATOM 366 CB LYS A 24 16.439 34.944 5.922 1.00 0.00 C ATOM 367 CG LYS A 24 16.193 36.413 6.280 1.00 0.00 C ATOM 368 CD LYS A 24 16.988 36.833 7.519 1.00 0.00 C ATOM 369 CE LYS A 24 16.523 38.197 8.036 1.00 0.00 C ATOM 370 NZ LYS A 24 16.581 39.233 6.988 1.00 0.00 N ATOM 0 H LYS A 24 17.898 35.926 4.140 1.00 0.00 H new ATOM 0 HA LYS A 24 18.426 34.711 6.721 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.916 34.711 4.995 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.009 34.311 6.698 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.472 37.045 5.437 1.00 0.00 H new ATOM 0 HG3 LYS A 24 15.129 36.571 6.459 1.00 0.00 H new ATOM 0 HD2 LYS A 24 16.869 36.084 8.302 1.00 0.00 H new ATOM 0 HD3 LYS A 24 18.050 36.875 7.277 1.00 0.00 H new ATOM 0 HE2 LYS A 24 15.502 38.115 8.409 1.00 0.00 H new ATOM 0 HE3 LYS A 24 17.146 38.498 8.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 16.712 40.166 7.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 17.378 39.036 6.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 15.694 39.228 6.446 1.00 0.00 H new ATOM 384 N ILE A 25 18.198 32.956 3.974 1.00 0.00 N ATOM 385 CA ILE A 25 18.303 31.628 3.386 1.00 0.00 C ATOM 386 C ILE A 25 19.765 31.210 3.229 1.00 0.00 C ATOM 387 O ILE A 25 20.092 30.033 3.388 1.00 0.00 O ATOM 388 CB ILE A 25 17.598 31.624 2.021 1.00 0.00 C ATOM 389 CG1 ILE A 25 16.155 32.131 2.150 1.00 0.00 C ATOM 390 CG2 ILE A 25 17.635 30.218 1.422 1.00 0.00 C ATOM 391 CD1 ILE A 25 15.427 32.088 0.808 1.00 0.00 C ATOM 0 H ILE A 25 18.236 33.713 3.291 1.00 0.00 H new ATOM 0 HA ILE A 25 17.822 30.909 4.050 1.00 0.00 H new ATOM 0 HB ILE A 25 18.126 32.302 1.350 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.617 31.522 2.877 1.00 0.00 H new ATOM 0 HG13 ILE A 25 16.159 33.152 2.531 1.00 0.00 H new ATOM 0 HG21 ILE A 25 17.134 30.222 0.454 1.00 0.00 H new ATOM 0 HG22 ILE A 25 18.671 29.905 1.293 1.00 0.00 H new ATOM 0 HG23 ILE A 25 17.127 29.524 2.091 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.408 32.454 0.935 1.00 0.00 H new ATOM 0 HD12 ILE A 25 15.951 32.718 0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.401 31.062 0.441 1.00 0.00 H new ATOM 403 N LEU A 26 20.641 32.173 2.919 1.00 0.00 N ATOM 404 CA LEU A 26 22.044 31.921 2.604 1.00 0.00 C ATOM 405 C LEU A 26 22.996 32.583 3.601 1.00 0.00 C ATOM 406 O LEU A 26 24.187 32.717 3.318 1.00 0.00 O ATOM 407 CB LEU A 26 22.337 32.415 1.180 1.00 0.00 C ATOM 408 CG LEU A 26 21.340 31.905 0.137 1.00 0.00 C ATOM 409 CD1 LEU A 26 21.718 32.502 -1.214 1.00 0.00 C ATOM 410 CD2 LEU A 26 21.385 30.382 0.041 1.00 0.00 C ATOM 0 H LEU A 26 20.388 33.160 2.881 1.00 0.00 H new ATOM 0 HA LEU A 26 22.215 30.847 2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 26 22.330 33.505 1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 26 23.341 32.101 0.895 1.00 0.00 H new ATOM 0 HG LEU A 26 20.332 32.201 0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 26 21.020 32.152 -1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 26 21.676 33.590 -1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 26 22.729 32.192 -1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 26 20.668 30.043 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 26 22.387 30.065 -0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 26 21.132 29.949 1.009 1.00 0.00 H new ATOM 422 N GLY A 27 22.487 33.001 4.764 1.00 0.00 N ATOM 423 CA GLY A 27 23.259 33.762 5.734 1.00 0.00 C ATOM 424 C GLY A 27 24.412 32.980 6.365 1.00 0.00 C ATOM 425 O GLY A 27 25.311 33.589 6.946 1.00 0.00 O ATOM 0 H GLY A 27 21.526 32.818 5.054 1.00 0.00 H new ATOM 0 HA2 GLY A 27 23.660 34.650 5.247 1.00 0.00 H new ATOM 0 HA3 GLY A 27 22.592 34.106 6.524 1.00 0.00 H new ATOM 429 N ASN A 28 24.406 31.647 6.266 1.00 0.00 N ATOM 430 CA ASN A 28 25.464 30.824 6.838 1.00 0.00 C ATOM 431 C ASN A 28 25.491 29.456 6.158 1.00 0.00 C ATOM 432 O ASN A 28 24.751 28.558 6.554 1.00 0.00 O ATOM 433 CB ASN A 28 25.203 30.669 8.339 1.00 0.00 C ATOM 434 CG ASN A 28 26.281 29.836 9.021 1.00 0.00 C ATOM 435 OD1 ASN A 28 27.377 29.657 8.496 1.00 0.00 O ATOM 436 ND2 ASN A 28 25.979 29.318 10.205 1.00 0.00 N ATOM 0 H ASN A 28 23.674 31.118 5.792 1.00 0.00 H new ATOM 0 HA ASN A 28 26.432 31.300 6.681 1.00 0.00 H new ATOM 0 HB2 ASN A 28 25.158 31.654 8.803 1.00 0.00 H new ATOM 0 HB3 ASN A 28 24.231 30.200 8.492 1.00 0.00 H new ATOM 0 HD21 ASN A 28 26.666 28.753 10.705 1.00 0.00 H new ATOM 0 HD22 ASN A 28 25.060 29.485 10.615 1.00 0.00 H new ATOM 443 N ARG A 29 26.346 29.304 5.138 1.00 0.00 N ATOM 444 CA ARG A 29 26.523 28.049 4.406 1.00 0.00 C ATOM 445 C ARG A 29 25.195 27.451 3.938 1.00 0.00 C ATOM 446 O ARG A 29 25.093 26.237 3.749 1.00 0.00 O ATOM 447 CB ARG A 29 27.330 27.054 5.248 1.00 0.00 C ATOM 448 CG ARG A 29 28.683 27.621 5.692 1.00 0.00 C ATOM 449 CD ARG A 29 29.558 27.999 4.495 1.00 0.00 C ATOM 450 NE ARG A 29 30.865 28.494 4.940 1.00 0.00 N ATOM 451 CZ ARG A 29 31.966 27.744 5.034 1.00 0.00 C ATOM 452 NH1 ARG A 29 31.939 26.447 4.735 1.00 0.00 N ATOM 453 NH2 ARG A 29 33.109 28.291 5.433 1.00 0.00 N ATOM 0 H ARG A 29 26.940 30.060 4.796 1.00 0.00 H new ATOM 0 HA ARG A 29 27.087 28.271 3.500 1.00 0.00 H new ATOM 0 HB2 ARG A 29 26.751 26.774 6.128 1.00 0.00 H new ATOM 0 HB3 ARG A 29 27.493 26.144 4.671 1.00 0.00 H new ATOM 0 HG2 ARG A 29 28.522 28.499 6.317 1.00 0.00 H new ATOM 0 HG3 ARG A 29 29.203 26.885 6.305 1.00 0.00 H new ATOM 0 HD2 ARG A 29 29.693 27.131 3.850 1.00 0.00 H new ATOM 0 HD3 ARG A 29 29.058 28.764 3.900 1.00 0.00 H new ATOM 0 HE ARG A 29 30.938 29.479 5.195 1.00 0.00 H new ATOM 0 HH11 ARG A 29 31.069 26.012 4.429 1.00 0.00 H new ATOM 0 HH12 ARG A 29 32.789 25.888 4.812 1.00 0.00 H new ATOM 0 HH21 ARG A 29 33.145 29.283 5.667 1.00 0.00 H new ATOM 0 HH22 ARG A 29 33.950 27.719 5.505 1.00 0.00 H new ATOM 467 N ALA A 30 24.180 28.299 3.751 1.00 0.00 N ATOM 468 CA ALA A 30 22.832 27.888 3.385 1.00 0.00 C ATOM 469 C ALA A 30 22.258 26.841 4.337 1.00 0.00 C ATOM 470 O ALA A 30 21.370 26.080 3.960 1.00 0.00 O ATOM 471 CB ALA A 30 22.801 27.444 1.920 1.00 0.00 C ATOM 0 H ALA A 30 24.280 29.309 3.853 1.00 0.00 H new ATOM 0 HA ALA A 30 22.173 28.750 3.487 1.00 0.00 H new ATOM 0 HB1 ALA A 30 21.789 27.138 1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 30 23.109 28.272 1.282 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.482 26.605 1.780 1.00 0.00 H new ATOM 477 N ALA A 31 22.750 26.790 5.580 1.00 0.00 N ATOM 478 CA ALA A 31 22.302 25.807 6.553 1.00 0.00 C ATOM 479 C ALA A 31 20.818 25.982 6.872 1.00 0.00 C ATOM 480 O ALA A 31 20.160 25.026 7.281 1.00 0.00 O ATOM 481 CB ALA A 31 23.137 25.964 7.822 1.00 0.00 C ATOM 0 H ALA A 31 23.465 27.427 5.931 1.00 0.00 H new ATOM 0 HA ALA A 31 22.432 24.807 6.138 1.00 0.00 H new ATOM 0 HB1 ALA A 31 22.813 25.233 8.563 1.00 0.00 H new ATOM 0 HB2 ALA A 31 24.189 25.802 7.588 1.00 0.00 H new ATOM 0 HB3 ALA A 31 23.005 26.969 8.222 1.00 0.00 H new ATOM 487 N VAL A 32 20.286 27.193 6.694 1.00 0.00 N ATOM 488 CA VAL A 32 18.872 27.454 6.918 1.00 0.00 C ATOM 489 C VAL A 32 18.042 26.852 5.791 1.00 0.00 C ATOM 490 O VAL A 32 16.948 26.346 6.029 1.00 0.00 O ATOM 491 CB VAL A 32 18.638 28.966 7.017 1.00 0.00 C ATOM 492 CG1 VAL A 32 17.159 29.250 7.280 1.00 0.00 C ATOM 493 CG2 VAL A 32 19.473 29.578 8.146 1.00 0.00 C ATOM 0 H VAL A 32 20.820 28.009 6.394 1.00 0.00 H new ATOM 0 HA VAL A 32 18.562 26.989 7.854 1.00 0.00 H new ATOM 0 HB VAL A 32 18.940 29.415 6.071 1.00 0.00 H new ATOM 0 HG11 VAL A 32 17.002 30.326 7.349 1.00 0.00 H new ATOM 0 HG12 VAL A 32 16.560 28.847 6.463 1.00 0.00 H new ATOM 0 HG13 VAL A 32 16.859 28.779 8.216 1.00 0.00 H new ATOM 0 HG21 VAL A 32 19.288 30.651 8.194 1.00 0.00 H new ATOM 0 HG22 VAL A 32 19.195 29.119 9.094 1.00 0.00 H new ATOM 0 HG23 VAL A 32 20.531 29.400 7.953 1.00 0.00 H new ATOM 503 N LYS A 33 18.562 26.902 4.557 1.00 0.00 N ATOM 504 CA LYS A 33 17.881 26.327 3.407 1.00 0.00 C ATOM 505 C LYS A 33 17.860 24.812 3.538 1.00 0.00 C ATOM 506 O LYS A 33 16.847 24.173 3.258 1.00 0.00 O ATOM 507 CB LYS A 33 18.613 26.749 2.130 1.00 0.00 C ATOM 508 CG LYS A 33 17.837 26.312 0.886 1.00 0.00 C ATOM 509 CD LYS A 33 18.543 26.798 -0.383 1.00 0.00 C ATOM 510 CE LYS A 33 19.880 26.086 -0.604 1.00 0.00 C ATOM 511 NZ LYS A 33 19.687 24.657 -0.922 1.00 0.00 N ATOM 0 H LYS A 33 19.457 27.339 4.337 1.00 0.00 H new ATOM 0 HA LYS A 33 16.853 26.686 3.360 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.743 27.831 2.121 1.00 0.00 H new ATOM 0 HB3 LYS A 33 19.610 26.308 2.115 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.749 25.226 0.867 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.824 26.713 0.922 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.896 26.630 -1.244 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.711 27.873 -0.315 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.421 26.571 -1.417 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.496 26.181 0.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.607 24.221 -1.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.253 24.176 -0.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.064 24.567 -1.750 1.00 0.00 H new ATOM 525 N LYS A 34 18.988 24.239 3.969 1.00 0.00 N ATOM 526 CA LYS A 34 19.136 22.803 4.149 1.00 0.00 C ATOM 527 C LYS A 34 18.240 22.278 5.267 1.00 0.00 C ATOM 528 O LYS A 34 17.913 21.093 5.282 1.00 0.00 O ATOM 529 CB LYS A 34 20.610 22.491 4.435 1.00 0.00 C ATOM 530 CG LYS A 34 21.473 22.857 3.219 1.00 0.00 C ATOM 531 CD LYS A 34 22.956 22.846 3.597 1.00 0.00 C ATOM 532 CE LYS A 34 23.784 23.260 2.382 1.00 0.00 C ATOM 533 NZ LYS A 34 25.203 23.446 2.738 1.00 0.00 N ATOM 0 H LYS A 34 19.828 24.769 4.203 1.00 0.00 H new ATOM 0 HA LYS A 34 18.823 22.298 3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 34 20.945 23.049 5.309 1.00 0.00 H new ATOM 0 HB3 LYS A 34 20.727 21.433 4.668 1.00 0.00 H new ATOM 0 HG2 LYS A 34 21.292 22.150 2.410 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.192 23.843 2.849 1.00 0.00 H new ATOM 0 HD2 LYS A 34 23.138 23.529 4.427 1.00 0.00 H new ATOM 0 HD3 LYS A 34 23.251 21.852 3.932 1.00 0.00 H new ATOM 0 HE2 LYS A 34 23.698 22.500 1.605 1.00 0.00 H new ATOM 0 HE3 LYS A 34 23.387 24.186 1.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 25.793 23.323 1.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 25.342 24.403 3.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 25.476 22.744 3.455 1.00 0.00 H new ATOM 547 N HIS A 35 17.833 23.142 6.200 1.00 0.00 N ATOM 548 CA HIS A 35 16.929 22.742 7.265 1.00 0.00 C ATOM 549 C HIS A 35 15.497 22.652 6.747 1.00 0.00 C ATOM 550 O HIS A 35 14.733 21.806 7.212 1.00 0.00 O ATOM 551 CB HIS A 35 17.014 23.744 8.416 1.00 0.00 C ATOM 552 CG HIS A 35 16.251 23.280 9.625 1.00 0.00 C ATOM 553 ND1 HIS A 35 16.615 22.250 10.476 1.00 0.00 N ATOM 554 CD2 HIS A 35 15.082 23.813 10.097 1.00 0.00 C ATOM 555 CE1 HIS A 35 15.681 22.158 11.438 1.00 0.00 C ATOM 556 NE2 HIS A 35 14.738 23.096 11.226 1.00 0.00 N ATOM 0 H HIS A 35 18.118 24.121 6.234 1.00 0.00 H new ATOM 0 HA HIS A 35 17.224 21.757 7.626 1.00 0.00 H new ATOM 0 HB2 HIS A 35 18.059 23.900 8.685 1.00 0.00 H new ATOM 0 HB3 HIS A 35 16.622 24.707 8.088 1.00 0.00 H new ATOM 0 HD2 HIS A 35 14.533 24.638 9.668 1.00 0.00 H new ATOM 0 HE1 HIS A 35 15.686 21.446 12.250 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.910 23.251 11.802 1.00 0.00 H new ATOM 565 N ILE A 36 15.120 23.506 5.789 1.00 0.00 N ATOM 566 CA ILE A 36 13.789 23.445 5.197 1.00 0.00 C ATOM 567 C ILE A 36 13.706 22.240 4.257 1.00 0.00 C ATOM 568 O ILE A 36 12.641 21.650 4.089 1.00 0.00 O ATOM 569 CB ILE A 36 13.473 24.768 4.482 1.00 0.00 C ATOM 570 CG1 ILE A 36 13.377 25.890 5.523 1.00 0.00 C ATOM 571 CG2 ILE A 36 12.156 24.659 3.704 1.00 0.00 C ATOM 572 CD1 ILE A 36 13.184 27.267 4.886 1.00 0.00 C ATOM 0 H ILE A 36 15.717 24.242 5.412 1.00 0.00 H new ATOM 0 HA ILE A 36 13.036 23.312 5.974 1.00 0.00 H new ATOM 0 HB ILE A 36 14.270 24.991 3.773 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.545 25.685 6.197 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.283 25.897 6.129 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.949 25.605 3.204 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.237 23.866 2.960 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.344 24.428 4.394 1.00 0.00 H new ATOM 0 HD11 ILE A 36 13.122 28.024 5.668 1.00 0.00 H new ATOM 0 HD12 ILE A 36 14.029 27.487 4.233 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.263 27.272 4.302 1.00 0.00 H new ATOM 584 N GLU A 37 14.834 21.867 3.645 1.00 0.00 N ATOM 585 CA GLU A 37 14.900 20.664 2.828 1.00 0.00 C ATOM 586 C GLU A 37 14.753 19.421 3.701 1.00 0.00 C ATOM 587 O GLU A 37 14.211 18.408 3.264 1.00 0.00 O ATOM 588 CB GLU A 37 16.243 20.621 2.100 1.00 0.00 C ATOM 589 CG GLU A 37 16.321 21.744 1.062 1.00 0.00 C ATOM 590 CD GLU A 37 17.680 21.792 0.369 1.00 0.00 C ATOM 591 OE1 GLU A 37 18.571 21.006 0.753 1.00 0.00 O ATOM 592 OE2 GLU A 37 17.817 22.627 -0.551 1.00 0.00 O ATOM 0 H GLU A 37 15.711 22.385 3.703 1.00 0.00 H new ATOM 0 HA GLU A 37 14.086 20.682 2.103 1.00 0.00 H new ATOM 0 HB2 GLU A 37 17.057 20.723 2.818 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.368 19.655 1.611 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.539 21.602 0.316 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.128 22.700 1.548 1.00 0.00 H new ATOM 599 N ARG A 38 15.235 19.497 4.944 1.00 0.00 N ATOM 600 CA ARG A 38 15.127 18.414 5.909 1.00 0.00 C ATOM 601 C ARG A 38 13.732 18.384 6.535 1.00 0.00 C ATOM 602 O ARG A 38 13.276 17.337 6.993 1.00 0.00 O ATOM 603 CB ARG A 38 16.213 18.645 6.967 1.00 0.00 C ATOM 604 CG ARG A 38 16.164 17.678 8.151 1.00 0.00 C ATOM 605 CD ARG A 38 16.614 16.266 7.778 1.00 0.00 C ATOM 606 NE ARG A 38 15.665 15.593 6.881 1.00 0.00 N ATOM 607 CZ ARG A 38 16.014 14.690 5.957 1.00 0.00 C ATOM 608 NH1 ARG A 38 17.284 14.322 5.813 1.00 0.00 N ATOM 609 NH2 ARG A 38 15.091 14.150 5.167 1.00 0.00 N ATOM 0 H ARG A 38 15.714 20.321 5.306 1.00 0.00 H new ATOM 0 HA ARG A 38 15.270 17.447 5.428 1.00 0.00 H new ATOM 0 HB2 ARG A 38 17.190 18.565 6.490 1.00 0.00 H new ATOM 0 HB3 ARG A 38 16.124 19.664 7.343 1.00 0.00 H new ATOM 0 HG2 ARG A 38 16.799 18.058 8.952 1.00 0.00 H new ATOM 0 HG3 ARG A 38 15.147 17.640 8.542 1.00 0.00 H new ATOM 0 HD2 ARG A 38 17.591 16.314 7.298 1.00 0.00 H new ATOM 0 HD3 ARG A 38 16.734 15.674 8.686 1.00 0.00 H new ATOM 0 HE ARG A 38 14.677 15.829 6.968 1.00 0.00 H new ATOM 0 HH11 ARG A 38 18.004 14.729 6.410 1.00 0.00 H new ATOM 0 HH12 ARG A 38 17.538 13.633 5.105 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.113 14.424 5.264 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.361 13.462 4.464 1.00 0.00 H new ATOM 623 N GLN A 39 13.056 19.538 6.548 1.00 0.00 N ATOM 624 CA GLN A 39 11.742 19.712 7.149 1.00 0.00 C ATOM 625 C GLN A 39 10.640 19.134 6.264 1.00 0.00 C ATOM 626 O GLN A 39 9.602 18.707 6.771 1.00 0.00 O ATOM 627 CB GLN A 39 11.527 21.214 7.360 1.00 0.00 C ATOM 628 CG GLN A 39 10.156 21.541 7.952 1.00 0.00 C ATOM 629 CD GLN A 39 9.943 23.046 8.067 1.00 0.00 C ATOM 630 OE1 GLN A 39 10.885 23.832 8.005 1.00 0.00 O ATOM 631 NE2 GLN A 39 8.693 23.467 8.241 1.00 0.00 N ATOM 0 H GLN A 39 13.422 20.393 6.129 1.00 0.00 H new ATOM 0 HA GLN A 39 11.697 19.177 8.097 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.304 21.598 8.021 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.638 21.729 6.406 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.375 21.109 7.326 1.00 0.00 H new ATOM 0 HG3 GLN A 39 10.065 21.083 8.937 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.930 22.792 8.289 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.498 24.465 8.326 1.00 0.00 H new ATOM 640 N PHE A 40 10.863 19.119 4.949 1.00 0.00 N ATOM 641 CA PHE A 40 9.874 18.655 3.988 1.00 0.00 C ATOM 642 C PHE A 40 10.368 17.619 2.982 1.00 0.00 C ATOM 643 O PHE A 40 9.653 17.272 2.044 1.00 0.00 O ATOM 644 CB PHE A 40 9.173 19.844 3.331 1.00 0.00 C ATOM 645 CG PHE A 40 8.270 20.624 4.258 1.00 0.00 C ATOM 646 CD1 PHE A 40 8.551 21.971 4.534 1.00 0.00 C ATOM 647 CD2 PHE A 40 7.160 20.009 4.850 1.00 0.00 C ATOM 648 CE1 PHE A 40 7.716 22.707 5.382 1.00 0.00 C ATOM 649 CE2 PHE A 40 6.331 20.740 5.714 1.00 0.00 C ATOM 650 CZ PHE A 40 6.606 22.090 5.975 1.00 0.00 C ATOM 0 H PHE A 40 11.737 19.430 4.525 1.00 0.00 H new ATOM 0 HA PHE A 40 9.140 18.092 4.565 1.00 0.00 H new ATOM 0 HB2 PHE A 40 9.928 20.518 2.927 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.584 19.483 2.488 1.00 0.00 H new ATOM 0 HD1 PHE A 40 9.416 22.442 4.090 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.942 18.972 4.641 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.926 23.748 5.579 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.481 20.263 6.178 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.962 22.655 6.633 1.00 0.00 H new ATOM 660 N ASN A 41 11.594 17.132 3.182 1.00 0.00 N ATOM 661 CA ASN A 41 12.259 16.199 2.280 1.00 0.00 C ATOM 662 C ASN A 41 12.365 16.748 0.850 1.00 0.00 C ATOM 663 O ASN A 41 12.592 15.990 -0.095 1.00 0.00 O ATOM 664 CB ASN A 41 11.592 14.820 2.345 1.00 0.00 C ATOM 665 CG ASN A 41 11.601 14.237 3.752 1.00 0.00 C ATOM 666 OD1 ASN A 41 12.370 14.662 4.612 1.00 0.00 O ATOM 667 ND2 ASN A 41 10.744 13.252 3.997 1.00 0.00 N ATOM 0 H ASN A 41 12.161 17.382 3.992 1.00 0.00 H new ATOM 0 HA ASN A 41 13.288 16.076 2.618 1.00 0.00 H new ATOM 0 HB2 ASN A 41 10.563 14.900 1.994 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.107 14.138 1.669 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.710 12.824 4.922 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.120 12.924 3.260 1.00 0.00 H new ATOM 674 N CYS A 42 12.194 18.063 0.693 1.00 0.00 N ATOM 675 CA CYS A 42 12.251 18.734 -0.597 1.00 0.00 C ATOM 676 C CYS A 42 13.673 19.226 -0.878 1.00 0.00 C ATOM 677 O CYS A 42 14.597 18.969 -0.107 1.00 0.00 O ATOM 678 CB CYS A 42 11.271 19.910 -0.574 1.00 0.00 C ATOM 679 SG CYS A 42 11.856 21.172 0.588 1.00 0.00 S ATOM 0 H CYS A 42 12.010 18.695 1.472 1.00 0.00 H new ATOM 0 HA CYS A 42 11.975 18.039 -1.390 1.00 0.00 H new ATOM 0 HB2 CYS A 42 11.177 20.337 -1.572 1.00 0.00 H new ATOM 0 HB3 CYS A 42 10.280 19.564 -0.281 1.00 0.00 H new ATOM 0 HG CYS A 42 11.654 22.353 0.084 1.00 0.00 H new ATOM 685 N VAL A 43 13.844 19.940 -1.995 1.00 0.00 N ATOM 686 CA VAL A 43 15.099 20.574 -2.371 1.00 0.00 C ATOM 687 C VAL A 43 14.790 22.010 -2.776 1.00 0.00 C ATOM 688 O VAL A 43 13.737 22.269 -3.355 1.00 0.00 O ATOM 689 CB VAL A 43 15.772 19.794 -3.510 1.00 0.00 C ATOM 690 CG1 VAL A 43 17.025 20.512 -4.012 1.00 0.00 C ATOM 691 CG2 VAL A 43 16.170 18.395 -3.042 1.00 0.00 C ATOM 0 H VAL A 43 13.096 20.093 -2.672 1.00 0.00 H new ATOM 0 HA VAL A 43 15.799 20.575 -1.535 1.00 0.00 H new ATOM 0 HB VAL A 43 15.048 19.724 -4.322 1.00 0.00 H new ATOM 0 HG11 VAL A 43 17.477 19.934 -4.818 1.00 0.00 H new ATOM 0 HG12 VAL A 43 16.754 21.501 -4.383 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.738 20.614 -3.194 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.645 17.858 -3.863 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.868 18.475 -2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 43 15.281 17.852 -2.720 1.00 0.00 H new ATOM 701 N ILE A 44 15.699 22.948 -2.482 1.00 0.00 N ATOM 702 CA ILE A 44 15.493 24.357 -2.785 1.00 0.00 C ATOM 703 C ILE A 44 16.745 24.942 -3.429 1.00 0.00 C ATOM 704 O ILE A 44 17.860 24.560 -3.076 1.00 0.00 O ATOM 705 CB ILE A 44 15.107 25.115 -1.505 1.00 0.00 C ATOM 706 CG1 ILE A 44 13.829 24.509 -0.908 1.00 0.00 C ATOM 707 CG2 ILE A 44 14.907 26.609 -1.795 1.00 0.00 C ATOM 708 CD1 ILE A 44 13.389 25.229 0.368 1.00 0.00 C ATOM 0 H ILE A 44 16.591 22.746 -2.030 1.00 0.00 H new ATOM 0 HA ILE A 44 14.674 24.462 -3.497 1.00 0.00 H new ATOM 0 HB ILE A 44 15.918 25.018 -0.783 1.00 0.00 H new ATOM 0 HG12 ILE A 44 13.027 24.557 -1.645 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.997 23.455 -0.689 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.634 27.125 -0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 44 15.833 27.031 -2.187 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.112 26.734 -2.530 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.481 24.765 0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.178 25.158 1.116 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.194 26.278 0.145 1.00 0.00 H new ATOM 720 N THR A 45 16.562 25.870 -4.371 1.00 0.00 N ATOM 721 CA THR A 45 17.660 26.515 -5.075 1.00 0.00 C ATOM 722 C THR A 45 17.514 28.019 -5.255 1.00 0.00 C ATOM 723 O THR A 45 16.604 28.480 -5.942 1.00 0.00 O ATOM 724 CB THR A 45 17.974 25.815 -6.400 1.00 0.00 C ATOM 725 OG1 THR A 45 17.770 24.422 -6.299 1.00 0.00 O ATOM 726 CG2 THR A 45 19.406 26.105 -6.838 1.00 0.00 C ATOM 0 H THR A 45 15.640 26.193 -4.665 1.00 0.00 H new ATOM 0 HA THR A 45 18.517 26.398 -4.411 1.00 0.00 H new ATOM 0 HB THR A 45 17.291 26.209 -7.153 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.976 23.998 -7.158 1.00 0.00 H new ATOM 0 HG21 THR A 45 19.608 25.598 -7.782 1.00 0.00 H new ATOM 0 HG22 THR A 45 19.536 27.179 -6.968 1.00 0.00 H new ATOM 0 HG23 THR A 45 20.099 25.745 -6.077 1.00 0.00 H new ATOM 734 N VAL A 46 18.413 28.786 -4.637 1.00 0.00 N ATOM 735 CA VAL A 46 18.459 30.230 -4.819 1.00 0.00 C ATOM 736 C VAL A 46 19.262 30.586 -6.069 1.00 0.00 C ATOM 737 O VAL A 46 20.208 29.883 -6.421 1.00 0.00 O ATOM 738 CB VAL A 46 18.978 30.933 -3.562 1.00 0.00 C ATOM 739 CG1 VAL A 46 18.790 32.445 -3.689 1.00 0.00 C ATOM 740 CG2 VAL A 46 18.220 30.455 -2.323 1.00 0.00 C ATOM 0 H VAL A 46 19.123 28.423 -4.001 1.00 0.00 H new ATOM 0 HA VAL A 46 17.444 30.595 -4.975 1.00 0.00 H new ATOM 0 HB VAL A 46 20.036 30.693 -3.458 1.00 0.00 H new ATOM 0 HG11 VAL A 46 19.163 32.935 -2.789 1.00 0.00 H new ATOM 0 HG12 VAL A 46 19.342 32.809 -4.555 1.00 0.00 H new ATOM 0 HG13 VAL A 46 17.731 32.671 -3.813 1.00 0.00 H new ATOM 0 HG21 VAL A 46 18.605 30.967 -1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 46 17.159 30.677 -2.438 1.00 0.00 H new ATOM 0 HG23 VAL A 46 18.355 29.380 -2.206 1.00 0.00 H new ATOM 750 N HIS A 47 18.881 31.673 -6.744 1.00 0.00 N ATOM 751 CA HIS A 47 19.494 32.083 -8.000 1.00 0.00 C ATOM 752 C HIS A 47 19.871 33.563 -7.987 1.00 0.00 C ATOM 753 O HIS A 47 19.373 34.350 -8.794 1.00 0.00 O ATOM 754 CB HIS A 47 18.552 31.708 -9.148 1.00 0.00 C ATOM 755 CG HIS A 47 18.465 30.225 -9.375 1.00 0.00 C ATOM 756 ND1 HIS A 47 19.471 29.422 -9.874 1.00 0.00 N ATOM 757 CD2 HIS A 47 17.370 29.435 -9.152 1.00 0.00 C ATOM 758 CE1 HIS A 47 18.992 28.167 -9.966 1.00 0.00 C ATOM 759 NE2 HIS A 47 17.714 28.152 -9.538 1.00 0.00 N ATOM 0 H HIS A 47 18.135 32.293 -6.429 1.00 0.00 H new ATOM 0 HA HIS A 47 20.436 31.554 -8.145 1.00 0.00 H new ATOM 0 HB2 HIS A 47 17.556 32.097 -8.935 1.00 0.00 H new ATOM 0 HB3 HIS A 47 18.894 32.191 -10.064 1.00 0.00 H new ATOM 0 HD2 HIS A 47 16.419 29.753 -8.751 1.00 0.00 H new ATOM 0 HE1 HIS A 47 19.543 27.310 -10.325 1.00 0.00 H new ATOM 0 HE2 HIS A 47 17.105 27.335 -9.504 1.00 0.00 H new ATOM 768 N THR A 48 20.759 33.942 -7.063 1.00 0.00 N ATOM 769 CA THR A 48 21.239 35.317 -6.922 1.00 0.00 C ATOM 770 C THR A 48 21.974 35.884 -8.137 1.00 0.00 C ATOM 771 O THR A 48 22.232 37.082 -8.206 1.00 0.00 O ATOM 772 CB THR A 48 22.048 35.515 -5.632 1.00 0.00 C ATOM 773 OG1 THR A 48 23.411 35.256 -5.891 1.00 0.00 O ATOM 774 CG2 THR A 48 21.600 34.604 -4.488 1.00 0.00 C ATOM 0 H THR A 48 21.167 33.297 -6.387 1.00 0.00 H new ATOM 0 HA THR A 48 20.326 35.908 -6.854 1.00 0.00 H new ATOM 0 HB THR A 48 21.882 36.546 -5.319 1.00 0.00 H new ATOM 0 HG1 THR A 48 23.930 35.383 -5.070 1.00 0.00 H new ATOM 0 HG21 THR A 48 22.214 34.797 -3.608 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.555 34.803 -4.252 1.00 0.00 H new ATOM 0 HG23 THR A 48 21.712 33.562 -4.787 1.00 0.00 H new ATOM 782 N GLU A 49 22.314 35.027 -9.104 1.00 0.00 N ATOM 783 CA GLU A 49 22.990 35.448 -10.323 1.00 0.00 C ATOM 784 C GLU A 49 22.026 36.192 -11.247 1.00 0.00 C ATOM 785 O GLU A 49 22.455 36.895 -12.160 1.00 0.00 O ATOM 786 CB GLU A 49 23.543 34.216 -11.043 1.00 0.00 C ATOM 787 CG GLU A 49 24.426 33.387 -10.113 1.00 0.00 C ATOM 788 CD GLU A 49 25.146 32.255 -10.847 1.00 0.00 C ATOM 789 OE1 GLU A 49 24.866 32.053 -12.049 1.00 0.00 O ATOM 790 OE2 GLU A 49 25.983 31.596 -10.190 1.00 0.00 O ATOM 0 H GLU A 49 22.127 34.025 -9.059 1.00 0.00 H new ATOM 0 HA GLU A 49 23.805 36.122 -10.059 1.00 0.00 H new ATOM 0 HB2 GLU A 49 22.719 33.604 -11.408 1.00 0.00 H new ATOM 0 HB3 GLU A 49 24.119 34.528 -11.914 1.00 0.00 H new ATOM 0 HG2 GLU A 49 25.163 34.037 -9.642 1.00 0.00 H new ATOM 0 HG3 GLU A 49 23.814 32.967 -9.315 1.00 0.00 H new ATOM 797 N VAL A 50 20.719 36.032 -11.008 1.00 0.00 N ATOM 798 CA VAL A 50 19.673 36.663 -11.797 1.00 0.00 C ATOM 799 C VAL A 50 19.414 38.098 -11.342 1.00 0.00 C ATOM 800 O VAL A 50 19.668 38.446 -10.189 1.00 0.00 O ATOM 801 CB VAL A 50 18.390 35.825 -11.730 1.00 0.00 C ATOM 802 CG1 VAL A 50 17.318 36.366 -12.676 1.00 0.00 C ATOM 803 CG2 VAL A 50 18.689 34.373 -12.096 1.00 0.00 C ATOM 0 H VAL A 50 20.361 35.452 -10.249 1.00 0.00 H new ATOM 0 HA VAL A 50 20.009 36.711 -12.833 1.00 0.00 H new ATOM 0 HB VAL A 50 18.015 35.882 -10.708 1.00 0.00 H new ATOM 0 HG11 VAL A 50 16.423 35.748 -12.603 1.00 0.00 H new ATOM 0 HG12 VAL A 50 17.074 37.392 -12.401 1.00 0.00 H new ATOM 0 HG13 VAL A 50 17.691 36.344 -13.700 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.771 33.788 -12.045 1.00 0.00 H new ATOM 0 HG22 VAL A 50 19.092 34.328 -13.108 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.419 33.964 -11.397 1.00 0.00 H new ATOM 813 N GLN A 51 18.908 38.923 -12.256 1.00 0.00 N ATOM 814 CA GLN A 51 18.500 40.281 -11.956 1.00 0.00 C ATOM 815 C GLN A 51 17.326 40.661 -12.851 1.00 0.00 C ATOM 816 O GLN A 51 17.381 40.484 -14.065 1.00 0.00 O ATOM 817 CB GLN A 51 19.688 41.230 -12.133 1.00 0.00 C ATOM 818 CG GLN A 51 19.294 42.704 -11.999 1.00 0.00 C ATOM 819 CD GLN A 51 18.791 43.067 -10.606 1.00 0.00 C ATOM 820 OE1 GLN A 51 18.889 42.288 -9.663 1.00 0.00 O ATOM 821 NE2 GLN A 51 18.242 44.271 -10.467 1.00 0.00 N ATOM 0 H GLN A 51 18.771 38.659 -13.232 1.00 0.00 H new ATOM 0 HA GLN A 51 18.172 40.358 -10.919 1.00 0.00 H new ATOM 0 HB2 GLN A 51 20.450 40.993 -11.391 1.00 0.00 H new ATOM 0 HB3 GLN A 51 20.136 41.066 -13.113 1.00 0.00 H new ATOM 0 HG2 GLN A 51 20.155 43.327 -12.241 1.00 0.00 H new ATOM 0 HG3 GLN A 51 18.519 42.934 -12.730 1.00 0.00 H new ATOM 0 HE21 GLN A 51 18.175 44.897 -11.270 1.00 0.00 H new ATOM 0 HE22 GLN A 51 17.889 44.568 -9.558 1.00 0.00 H new ATOM 830 N SER A 52 16.262 41.186 -12.238 1.00 0.00 N ATOM 831 CA SER A 52 15.081 41.639 -12.954 1.00 0.00 C ATOM 832 C SER A 52 14.541 42.927 -12.341 1.00 0.00 C ATOM 833 O SER A 52 14.952 43.321 -11.249 1.00 0.00 O ATOM 834 CB SER A 52 14.020 40.535 -12.936 1.00 0.00 C ATOM 835 OG SER A 52 12.902 40.927 -13.704 1.00 0.00 O ATOM 0 H SER A 52 16.202 41.307 -11.227 1.00 0.00 H new ATOM 0 HA SER A 52 15.349 41.854 -13.989 1.00 0.00 H new ATOM 0 HB2 SER A 52 14.439 39.610 -13.334 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.713 40.331 -11.910 1.00 0.00 H new ATOM 0 HG SER A 52 12.079 40.724 -13.211 1.00 0.00 H new ATOM 841 N SER A 53 13.616 43.585 -13.044 1.00 0.00 N ATOM 842 CA SER A 53 13.001 44.828 -12.605 1.00 0.00 C ATOM 843 C SER A 53 12.216 44.636 -11.308 1.00 0.00 C ATOM 844 O SER A 53 11.791 45.611 -10.685 1.00 0.00 O ATOM 845 CB SER A 53 12.098 45.347 -13.725 1.00 0.00 C ATOM 846 OG SER A 53 11.493 46.572 -13.359 1.00 0.00 O ATOM 0 H SER A 53 13.272 43.259 -13.947 1.00 0.00 H new ATOM 0 HA SER A 53 13.780 45.561 -12.393 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.682 45.483 -14.635 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.328 44.609 -13.948 1.00 0.00 H new ATOM 0 HG SER A 53 11.512 46.668 -12.384 1.00 0.00 H new ATOM 852 N PHE A 54 12.019 43.382 -10.884 1.00 0.00 N ATOM 853 CA PHE A 54 11.344 43.080 -9.631 1.00 0.00 C ATOM 854 C PHE A 54 12.136 43.552 -8.412 1.00 0.00 C ATOM 855 O PHE A 54 11.570 43.680 -7.323 1.00 0.00 O ATOM 856 CB PHE A 54 11.090 41.579 -9.531 1.00 0.00 C ATOM 857 CG PHE A 54 10.193 41.021 -10.610 1.00 0.00 C ATOM 858 CD1 PHE A 54 10.682 40.022 -11.458 1.00 0.00 C ATOM 859 CD2 PHE A 54 8.886 41.497 -10.772 1.00 0.00 C ATOM 860 CE1 PHE A 54 9.867 39.491 -12.467 1.00 0.00 C ATOM 861 CE2 PHE A 54 8.068 40.972 -11.783 1.00 0.00 C ATOM 862 CZ PHE A 54 8.559 39.967 -12.630 1.00 0.00 C ATOM 0 H PHE A 54 12.324 42.557 -11.401 1.00 0.00 H new ATOM 0 HA PHE A 54 10.398 43.622 -9.633 1.00 0.00 H new ATOM 0 HB2 PHE A 54 12.047 41.058 -9.567 1.00 0.00 H new ATOM 0 HB3 PHE A 54 10.646 41.363 -8.559 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.691 39.658 -11.335 1.00 0.00 H new ATOM 0 HD2 PHE A 54 8.508 42.269 -10.118 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.246 38.717 -13.117 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.061 41.341 -11.909 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.929 39.560 -13.407 1.00 0.00 H new ATOM 872 N GLY A 55 13.436 43.815 -8.580 1.00 0.00 N ATOM 873 CA GLY A 55 14.289 44.219 -7.472 1.00 0.00 C ATOM 874 C GLY A 55 14.448 43.066 -6.483 1.00 0.00 C ATOM 875 O GLY A 55 14.646 43.291 -5.289 1.00 0.00 O ATOM 0 H GLY A 55 13.916 43.753 -9.478 1.00 0.00 H new ATOM 0 HA2 GLY A 55 15.266 44.523 -7.848 1.00 0.00 H new ATOM 0 HA3 GLY A 55 13.858 45.084 -6.968 1.00 0.00 H new ATOM 879 N ALA A 56 14.359 41.831 -6.987 1.00 0.00 N ATOM 880 CA ALA A 56 14.326 40.635 -6.166 1.00 0.00 C ATOM 881 C ALA A 56 15.123 39.496 -6.803 1.00 0.00 C ATOM 882 O ALA A 56 15.496 39.568 -7.974 1.00 0.00 O ATOM 883 CB ALA A 56 12.862 40.237 -5.980 1.00 0.00 C ATOM 0 H ALA A 56 14.308 41.641 -7.988 1.00 0.00 H new ATOM 0 HA ALA A 56 14.790 40.838 -5.201 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.804 39.339 -5.365 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.324 41.048 -5.489 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.412 40.040 -6.953 1.00 0.00 H new ATOM 889 N THR A 57 15.377 38.449 -6.021 1.00 0.00 N ATOM 890 CA THR A 57 16.118 37.276 -6.460 1.00 0.00 C ATOM 891 C THR A 57 15.093 36.143 -6.526 1.00 0.00 C ATOM 892 O THR A 57 14.319 35.964 -5.587 1.00 0.00 O ATOM 893 CB THR A 57 17.188 36.961 -5.411 1.00 0.00 C ATOM 894 OG1 THR A 57 18.300 37.805 -5.613 1.00 0.00 O ATOM 895 CG2 THR A 57 17.663 35.513 -5.499 1.00 0.00 C ATOM 0 H THR A 57 15.068 38.394 -5.051 1.00 0.00 H new ATOM 0 HA THR A 57 16.608 37.419 -7.423 1.00 0.00 H new ATOM 0 HB THR A 57 16.744 37.121 -4.429 1.00 0.00 H new ATOM 0 HG1 THR A 57 18.987 37.608 -4.942 1.00 0.00 H new ATOM 0 HG21 THR A 57 18.422 35.332 -4.737 1.00 0.00 H new ATOM 0 HG22 THR A 57 16.819 34.843 -5.337 1.00 0.00 H new ATOM 0 HG23 THR A 57 18.088 35.329 -6.486 1.00 0.00 H new ATOM 903 N PRO A 58 15.074 35.370 -7.621 1.00 0.00 N ATOM 904 CA PRO A 58 14.184 34.237 -7.783 1.00 0.00 C ATOM 905 C PRO A 58 14.701 33.021 -7.014 1.00 0.00 C ATOM 906 O PRO A 58 15.900 32.890 -6.761 1.00 0.00 O ATOM 907 CB PRO A 58 14.145 33.981 -9.284 1.00 0.00 C ATOM 908 CG PRO A 58 15.545 34.393 -9.733 1.00 0.00 C ATOM 909 CD PRO A 58 15.903 35.549 -8.798 1.00 0.00 C ATOM 0 HA PRO A 58 13.188 34.433 -7.385 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.939 32.935 -9.511 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.372 34.572 -9.775 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.253 33.570 -9.640 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.554 34.706 -10.777 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.961 35.530 -8.538 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.708 36.511 -9.272 1.00 0.00 H new ATOM 917 N VAL A 59 13.779 32.128 -6.644 1.00 0.00 N ATOM 918 CA VAL A 59 14.073 30.887 -5.938 1.00 0.00 C ATOM 919 C VAL A 59 13.244 29.742 -6.500 1.00 0.00 C ATOM 920 O VAL A 59 12.114 29.956 -6.931 1.00 0.00 O ATOM 921 CB VAL A 59 13.878 31.038 -4.422 1.00 0.00 C ATOM 922 CG1 VAL A 59 14.496 29.854 -3.674 1.00 0.00 C ATOM 923 CG2 VAL A 59 14.495 32.332 -3.895 1.00 0.00 C ATOM 0 H VAL A 59 12.785 32.255 -6.834 1.00 0.00 H new ATOM 0 HA VAL A 59 15.125 30.650 -6.098 1.00 0.00 H new ATOM 0 HB VAL A 59 12.803 31.066 -4.246 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.346 29.982 -2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.019 28.929 -3.999 1.00 0.00 H new ATOM 0 HG13 VAL A 59 15.564 29.806 -3.888 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.335 32.400 -2.819 1.00 0.00 H new ATOM 0 HG22 VAL A 59 15.565 32.336 -4.104 1.00 0.00 H new ATOM 0 HG23 VAL A 59 14.026 33.185 -4.386 1.00 0.00 H new ATOM 933 N GLU A 60 13.793 28.529 -6.490 1.00 0.00 N ATOM 934 CA GLU A 60 13.130 27.341 -7.015 1.00 0.00 C ATOM 935 C GLU A 60 13.015 26.265 -5.940 1.00 0.00 C ATOM 936 O GLU A 60 13.800 26.243 -4.992 1.00 0.00 O ATOM 937 CB GLU A 60 13.893 26.812 -8.232 1.00 0.00 C ATOM 938 CG GLU A 60 13.751 27.766 -9.422 1.00 0.00 C ATOM 939 CD GLU A 60 14.676 27.383 -10.577 1.00 0.00 C ATOM 940 OE1 GLU A 60 14.485 27.948 -11.676 1.00 0.00 O ATOM 941 OE2 GLU A 60 15.565 26.529 -10.363 1.00 0.00 O ATOM 0 H GLU A 60 14.722 28.343 -6.112 1.00 0.00 H new ATOM 0 HA GLU A 60 12.121 27.613 -7.325 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.947 26.691 -7.981 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.515 25.826 -8.503 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.718 27.762 -9.769 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.975 28.783 -9.100 1.00 0.00 H new ATOM 948 N ILE A 61 12.035 25.372 -6.093 1.00 0.00 N ATOM 949 CA ILE A 61 11.790 24.275 -5.165 1.00 0.00 C ATOM 950 C ILE A 61 11.483 23.007 -5.954 1.00 0.00 C ATOM 951 O ILE A 61 10.905 23.085 -7.039 1.00 0.00 O ATOM 952 CB ILE A 61 10.629 24.622 -4.218 1.00 0.00 C ATOM 953 CG1 ILE A 61 10.872 25.988 -3.563 1.00 0.00 C ATOM 954 CG2 ILE A 61 10.438 23.524 -3.164 1.00 0.00 C ATOM 955 CD1 ILE A 61 9.724 26.392 -2.641 1.00 0.00 C ATOM 0 H ILE A 61 11.383 25.394 -6.877 1.00 0.00 H new ATOM 0 HA ILE A 61 12.680 24.110 -4.557 1.00 0.00 H new ATOM 0 HB ILE A 61 9.709 24.682 -4.799 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.801 25.957 -2.993 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.998 26.744 -4.338 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.611 23.791 -2.506 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.216 22.579 -3.659 1.00 0.00 H new ATOM 0 HG23 ILE A 61 11.351 23.420 -2.577 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.938 27.365 -2.199 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.799 26.450 -3.215 1.00 0.00 H new ATOM 0 HD13 ILE A 61 9.614 25.650 -1.850 1.00 0.00 H new ATOM 967 N VAL A 62 11.871 21.845 -5.417 1.00 0.00 N ATOM 968 CA VAL A 62 11.644 20.551 -6.042 1.00 0.00 C ATOM 969 C VAL A 62 11.240 19.526 -4.992 1.00 0.00 C ATOM 970 O VAL A 62 11.774 19.530 -3.885 1.00 0.00 O ATOM 971 CB VAL A 62 12.895 20.098 -6.808 1.00 0.00 C ATOM 972 CG1 VAL A 62 12.648 18.773 -7.526 1.00 0.00 C ATOM 973 CG2 VAL A 62 13.331 21.138 -7.844 1.00 0.00 C ATOM 0 H VAL A 62 12.358 21.784 -4.523 1.00 0.00 H new ATOM 0 HA VAL A 62 10.828 20.642 -6.759 1.00 0.00 H new ATOM 0 HB VAL A 62 13.686 19.976 -6.068 1.00 0.00 H new ATOM 0 HG11 VAL A 62 13.550 18.475 -8.061 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.389 18.006 -6.796 1.00 0.00 H new ATOM 0 HG13 VAL A 62 11.828 18.891 -8.235 1.00 0.00 H new ATOM 0 HG21 VAL A 62 14.219 20.782 -8.366 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.527 21.295 -8.563 1.00 0.00 H new ATOM 0 HG23 VAL A 62 13.558 22.079 -7.342 1.00 0.00 H new ATOM 983 N ALA A 63 10.300 18.641 -5.333 1.00 0.00 N ATOM 984 CA ALA A 63 9.834 17.588 -4.445 1.00 0.00 C ATOM 985 C ALA A 63 9.125 16.501 -5.253 1.00 0.00 C ATOM 986 O ALA A 63 8.808 16.697 -6.424 1.00 0.00 O ATOM 987 CB ALA A 63 8.876 18.177 -3.408 1.00 0.00 C ATOM 0 H ALA A 63 9.840 18.640 -6.244 1.00 0.00 H new ATOM 0 HA ALA A 63 10.689 17.146 -3.933 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.528 17.386 -2.744 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.394 18.939 -2.825 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.022 18.627 -3.915 1.00 0.00 H new ATOM 993 N GLN A 64 8.872 15.345 -4.630 1.00 0.00 N ATOM 994 CA GLN A 64 8.190 14.240 -5.291 1.00 0.00 C ATOM 995 C GLN A 64 6.702 14.539 -5.495 1.00 0.00 C ATOM 996 O GLN A 64 6.055 13.903 -6.324 1.00 0.00 O ATOM 997 CB GLN A 64 8.405 12.975 -4.454 1.00 0.00 C ATOM 998 CG GLN A 64 7.621 11.781 -5.008 1.00 0.00 C ATOM 999 CD GLN A 64 8.037 10.461 -4.373 1.00 0.00 C ATOM 1000 OE1 GLN A 64 9.080 10.361 -3.733 1.00 0.00 O ATOM 1001 NE2 GLN A 64 7.224 9.422 -4.544 1.00 0.00 N ATOM 0 H GLN A 64 9.133 15.155 -3.663 1.00 0.00 H new ATOM 0 HA GLN A 64 8.607 14.093 -6.287 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.467 12.732 -4.430 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.098 13.164 -3.425 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.556 11.941 -4.840 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.768 11.723 -6.086 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.363 9.531 -5.080 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.462 8.516 -4.139 1.00 0.00 H new ATOM 1010 N ASN A 65 6.152 15.499 -4.747 1.00 0.00 N ATOM 1011 CA ASN A 65 4.740 15.844 -4.819 1.00 0.00 C ATOM 1012 C ASN A 65 4.501 17.284 -4.368 1.00 0.00 C ATOM 1013 O ASN A 65 5.350 17.889 -3.713 1.00 0.00 O ATOM 1014 CB ASN A 65 3.931 14.855 -3.972 1.00 0.00 C ATOM 1015 CG ASN A 65 4.478 14.721 -2.557 1.00 0.00 C ATOM 1016 OD1 ASN A 65 4.849 15.706 -1.929 1.00 0.00 O ATOM 1017 ND2 ASN A 65 4.529 13.498 -2.038 1.00 0.00 N ATOM 0 H ASN A 65 6.679 16.057 -4.075 1.00 0.00 H new ATOM 0 HA ASN A 65 4.410 15.774 -5.855 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.892 15.183 -3.928 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.936 13.878 -4.455 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.884 13.360 -1.092 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.213 12.698 -2.586 1.00 0.00 H new ATOM 1024 N LYS A 66 3.335 17.841 -4.715 1.00 0.00 N ATOM 1025 CA LYS A 66 2.960 19.184 -4.294 1.00 0.00 C ATOM 1026 C LYS A 66 2.551 19.208 -2.826 1.00 0.00 C ATOM 1027 O LYS A 66 2.454 20.276 -2.228 1.00 0.00 O ATOM 1028 CB LYS A 66 1.832 19.723 -5.179 1.00 0.00 C ATOM 1029 CG LYS A 66 2.336 19.905 -6.614 1.00 0.00 C ATOM 1030 CD LYS A 66 1.282 20.590 -7.490 1.00 0.00 C ATOM 1031 CE LYS A 66 0.019 19.741 -7.622 1.00 0.00 C ATOM 1032 NZ LYS A 66 0.292 18.479 -8.332 1.00 0.00 N ATOM 0 H LYS A 66 2.634 17.374 -5.291 1.00 0.00 H new ATOM 0 HA LYS A 66 3.831 19.830 -4.406 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.987 19.034 -5.166 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.474 20.675 -4.787 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.250 20.499 -6.608 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.590 18.934 -7.039 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.026 21.559 -7.061 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.698 20.779 -8.479 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.381 19.524 -6.631 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.745 20.304 -8.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.607 18.022 -8.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.835 18.678 -9.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.841 17.846 -7.716 1.00 0.00 H new ATOM 1046 N GLU A 67 2.311 18.031 -2.240 1.00 0.00 N ATOM 1047 CA GLU A 67 1.958 17.908 -0.832 1.00 0.00 C ATOM 1048 C GLU A 67 3.132 18.305 0.062 1.00 0.00 C ATOM 1049 O GLU A 67 2.950 18.547 1.254 1.00 0.00 O ATOM 1050 CB GLU A 67 1.510 16.465 -0.573 1.00 0.00 C ATOM 1051 CG GLU A 67 1.148 16.223 0.896 1.00 0.00 C ATOM 1052 CD GLU A 67 0.536 14.844 1.120 1.00 0.00 C ATOM 1053 OE1 GLU A 67 0.314 14.121 0.121 1.00 0.00 O ATOM 1054 OE2 GLU A 67 0.289 14.514 2.302 1.00 0.00 O ATOM 0 H GLU A 67 2.357 17.139 -2.733 1.00 0.00 H new ATOM 0 HA GLU A 67 1.141 18.587 -0.590 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.648 16.237 -1.200 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.307 15.781 -0.866 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.043 16.326 1.510 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.445 16.988 1.226 1.00 0.00 H new ATOM 1061 N GLN A 68 4.340 18.381 -0.507 1.00 0.00 N ATOM 1062 CA GLN A 68 5.535 18.774 0.226 1.00 0.00 C ATOM 1063 C GLN A 68 6.214 19.977 -0.429 1.00 0.00 C ATOM 1064 O GLN A 68 6.941 20.708 0.242 1.00 0.00 O ATOM 1065 CB GLN A 68 6.497 17.584 0.296 1.00 0.00 C ATOM 1066 CG GLN A 68 5.870 16.388 1.021 1.00 0.00 C ATOM 1067 CD GLN A 68 6.672 15.110 0.795 1.00 0.00 C ATOM 1068 OE1 GLN A 68 6.102 14.048 0.566 1.00 0.00 O ATOM 1069 NE2 GLN A 68 7.997 15.199 0.860 1.00 0.00 N ATOM 0 H GLN A 68 4.510 18.170 -1.490 1.00 0.00 H new ATOM 0 HA GLN A 68 5.249 19.070 1.235 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.783 17.288 -0.713 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.410 17.884 0.811 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.813 16.598 2.089 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.848 16.244 0.670 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.439 16.098 1.052 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.572 14.368 0.717 1.00 0.00 H new ATOM 1078 N CYS A 69 5.990 20.202 -1.730 1.00 0.00 N ATOM 1079 CA CYS A 69 6.594 21.332 -2.420 1.00 0.00 C ATOM 1080 C CYS A 69 5.900 22.627 -1.979 1.00 0.00 C ATOM 1081 O CYS A 69 6.557 23.649 -1.806 1.00 0.00 O ATOM 1082 CB CYS A 69 6.426 21.129 -3.925 1.00 0.00 C ATOM 1083 SG CYS A 69 7.534 22.250 -4.816 1.00 0.00 S ATOM 0 H CYS A 69 5.397 19.616 -2.317 1.00 0.00 H new ATOM 0 HA CYS A 69 7.654 21.403 -2.178 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.648 20.095 -4.190 1.00 0.00 H new ATOM 0 HB3 CYS A 69 5.392 21.317 -4.214 1.00 0.00 H new ATOM 0 HG CYS A 69 7.391 22.074 -6.096 1.00 0.00 H new ATOM 1089 N GLN A 70 4.576 22.585 -1.797 1.00 0.00 N ATOM 1090 CA GLN A 70 3.819 23.760 -1.388 1.00 0.00 C ATOM 1091 C GLN A 70 4.088 24.113 0.072 1.00 0.00 C ATOM 1092 O GLN A 70 4.003 25.279 0.447 1.00 0.00 O ATOM 1093 CB GLN A 70 2.323 23.504 -1.563 1.00 0.00 C ATOM 1094 CG GLN A 70 1.926 23.321 -3.029 1.00 0.00 C ATOM 1095 CD GLN A 70 1.972 24.623 -3.825 1.00 0.00 C ATOM 1096 OE1 GLN A 70 2.281 25.687 -3.297 1.00 0.00 O ATOM 1097 NE2 GLN A 70 1.663 24.543 -5.116 1.00 0.00 N ATOM 0 H GLN A 70 4.011 21.746 -1.928 1.00 0.00 H new ATOM 0 HA GLN A 70 4.136 24.592 -2.017 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.042 22.614 -1.000 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.763 24.338 -1.140 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.593 22.594 -3.493 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.919 22.907 -3.078 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.410 23.643 -5.525 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.679 25.381 -5.697 1.00 0.00 H new ATOM 1106 N GLU A 71 4.412 23.117 0.902 1.00 0.00 N ATOM 1107 CA GLU A 71 4.673 23.370 2.309 1.00 0.00 C ATOM 1108 C GLU A 71 6.042 24.023 2.480 1.00 0.00 C ATOM 1109 O GLU A 71 6.232 24.830 3.386 1.00 0.00 O ATOM 1110 CB GLU A 71 4.594 22.055 3.089 1.00 0.00 C ATOM 1111 CG GLU A 71 3.236 21.374 2.920 1.00 0.00 C ATOM 1112 CD GLU A 71 2.072 22.190 3.494 1.00 0.00 C ATOM 1113 OE1 GLU A 71 0.916 21.807 3.207 1.00 0.00 O ATOM 1114 OE2 GLU A 71 2.328 23.182 4.212 1.00 0.00 O ATOM 0 H GLU A 71 4.497 22.140 0.621 1.00 0.00 H new ATOM 0 HA GLU A 71 3.920 24.054 2.701 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.382 21.383 2.749 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.774 22.248 4.146 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.057 21.195 1.860 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.263 20.400 3.408 1.00 0.00 H new ATOM 1121 N ALA A 72 6.997 23.676 1.611 1.00 0.00 N ATOM 1122 CA ALA A 72 8.309 24.295 1.623 1.00 0.00 C ATOM 1123 C ALA A 72 8.234 25.697 1.018 1.00 0.00 C ATOM 1124 O ALA A 72 9.028 26.569 1.369 1.00 0.00 O ATOM 1125 CB ALA A 72 9.266 23.416 0.825 1.00 0.00 C ATOM 0 H ALA A 72 6.876 22.965 0.890 1.00 0.00 H new ATOM 0 HA ALA A 72 8.669 24.390 2.647 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.258 23.867 0.823 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.317 22.427 1.281 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.907 23.325 -0.200 1.00 0.00 H new ATOM 1131 N ARG A 73 7.278 25.919 0.108 1.00 0.00 N ATOM 1132 CA ARG A 73 7.046 27.224 -0.493 1.00 0.00 C ATOM 1133 C ARG A 73 6.486 28.189 0.542 1.00 0.00 C ATOM 1134 O ARG A 73 7.017 29.283 0.725 1.00 0.00 O ATOM 1135 CB ARG A 73 6.081 27.054 -1.675 1.00 0.00 C ATOM 1136 CG ARG A 73 5.405 28.359 -2.101 1.00 0.00 C ATOM 1137 CD ARG A 73 6.417 29.425 -2.518 1.00 0.00 C ATOM 1138 NE ARG A 73 5.739 30.689 -2.825 1.00 0.00 N ATOM 1139 CZ ARG A 73 5.053 30.918 -3.948 1.00 0.00 C ATOM 1140 NH1 ARG A 73 4.954 29.973 -4.879 1.00 0.00 N ATOM 1141 NH2 ARG A 73 4.464 32.093 -4.144 1.00 0.00 N ATOM 0 H ARG A 73 6.646 25.193 -0.228 1.00 0.00 H new ATOM 0 HA ARG A 73 7.985 27.643 -0.855 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.627 26.643 -2.524 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.314 26.327 -1.407 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.727 28.161 -2.931 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.799 28.738 -1.278 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.141 29.579 -1.718 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.974 29.084 -3.391 1.00 0.00 H new ATOM 0 HE ARG A 73 5.795 31.440 -2.138 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.403 29.068 -4.737 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.429 30.153 -5.735 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.535 32.824 -3.436 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.941 32.264 -5.003 1.00 0.00 H new ATOM 1155 N ASN A 74 5.412 27.786 1.219 1.00 0.00 N ATOM 1156 CA ASN A 74 4.746 28.636 2.195 1.00 0.00 C ATOM 1157 C ASN A 74 5.600 28.860 3.445 1.00 0.00 C ATOM 1158 O ASN A 74 5.289 29.732 4.251 1.00 0.00 O ATOM 1159 CB ASN A 74 3.378 28.044 2.534 1.00 0.00 C ATOM 1160 CG ASN A 74 2.377 28.322 1.422 1.00 0.00 C ATOM 1161 OD1 ASN A 74 1.850 29.427 1.321 1.00 0.00 O ATOM 1162 ND2 ASN A 74 2.102 27.333 0.580 1.00 0.00 N ATOM 0 H ASN A 74 4.984 26.867 1.105 1.00 0.00 H new ATOM 0 HA ASN A 74 4.602 29.623 1.755 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.470 26.969 2.686 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.015 28.468 3.470 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.436 27.479 -0.178 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.557 26.427 0.691 1.00 0.00 H new ATOM 1169 N ALA A 75 6.678 28.087 3.620 1.00 0.00 N ATOM 1170 CA ALA A 75 7.578 28.264 4.747 1.00 0.00 C ATOM 1171 C ALA A 75 8.559 29.409 4.495 1.00 0.00 C ATOM 1172 O ALA A 75 8.922 30.128 5.423 1.00 0.00 O ATOM 1173 CB ALA A 75 8.326 26.953 4.978 1.00 0.00 C ATOM 0 H ALA A 75 6.942 27.331 2.988 1.00 0.00 H new ATOM 0 HA ALA A 75 7.002 28.524 5.635 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.007 27.067 5.821 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.611 26.159 5.194 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.895 26.696 4.084 1.00 0.00 H new ATOM 1179 N VAL A 76 8.994 29.590 3.242 1.00 0.00 N ATOM 1180 CA VAL A 76 9.969 30.618 2.890 1.00 0.00 C ATOM 1181 C VAL A 76 9.280 31.971 2.685 1.00 0.00 C ATOM 1182 O VAL A 76 9.938 32.986 2.477 1.00 0.00 O ATOM 1183 CB VAL A 76 10.736 30.168 1.636 1.00 0.00 C ATOM 1184 CG1 VAL A 76 11.776 31.190 1.171 1.00 0.00 C ATOM 1185 CG2 VAL A 76 11.472 28.859 1.932 1.00 0.00 C ATOM 0 H VAL A 76 8.679 29.029 2.451 1.00 0.00 H new ATOM 0 HA VAL A 76 10.681 30.749 3.705 1.00 0.00 H new ATOM 0 HB VAL A 76 9.995 30.050 0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.283 30.814 0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.280 32.132 0.935 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.506 31.353 1.964 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.016 28.539 1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.174 29.013 2.752 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.751 28.091 2.212 1.00 0.00 H new ATOM 1195 N MET A 77 7.947 31.988 2.748 1.00 0.00 N ATOM 1196 CA MET A 77 7.173 33.196 2.508 1.00 0.00 C ATOM 1197 C MET A 77 6.703 33.857 3.803 1.00 0.00 C ATOM 1198 O MET A 77 5.993 34.861 3.758 1.00 0.00 O ATOM 1199 CB MET A 77 5.993 32.862 1.595 1.00 0.00 C ATOM 1200 CG MET A 77 6.517 32.355 0.252 1.00 0.00 C ATOM 1201 SD MET A 77 7.378 33.611 -0.732 1.00 0.00 S ATOM 1202 CE MET A 77 8.527 32.534 -1.628 1.00 0.00 C ATOM 0 H MET A 77 7.382 31.167 2.966 1.00 0.00 H new ATOM 0 HA MET A 77 7.819 33.924 2.018 1.00 0.00 H new ATOM 0 HB2 MET A 77 5.362 32.105 2.061 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.373 33.746 1.446 1.00 0.00 H new ATOM 0 HG2 MET A 77 7.196 31.521 0.431 1.00 0.00 H new ATOM 0 HG3 MET A 77 5.680 31.966 -0.328 1.00 0.00 H new ATOM 0 HE1 MET A 77 9.314 33.138 -2.081 1.00 0.00 H new ATOM 0 HE2 MET A 77 8.971 31.819 -0.935 1.00 0.00 H new ATOM 0 HE3 MET A 77 7.988 31.996 -2.408 1.00 0.00 H new ATOM 1212 N SER A 78 7.092 33.311 4.962 1.00 0.00 N ATOM 1213 CA SER A 78 6.696 33.882 6.244 1.00 0.00 C ATOM 1214 C SER A 78 7.643 33.507 7.386 1.00 0.00 C ATOM 1215 O SER A 78 7.788 34.277 8.332 1.00 0.00 O ATOM 1216 CB SER A 78 5.275 33.406 6.568 1.00 0.00 C ATOM 1217 OG SER A 78 4.869 33.882 7.836 1.00 0.00 O ATOM 0 H SER A 78 7.678 32.479 5.033 1.00 0.00 H new ATOM 0 HA SER A 78 6.738 34.967 6.154 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.584 33.759 5.803 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.238 32.317 6.553 1.00 0.00 H new ATOM 0 HG SER A 78 3.960 33.570 8.027 1.00 0.00 H new ATOM 1223 N LEU A 79 8.291 32.338 7.318 1.00 0.00 N ATOM 1224 CA LEU A 79 9.160 31.872 8.393 1.00 0.00 C ATOM 1225 C LEU A 79 10.630 31.955 8.006 1.00 0.00 C ATOM 1226 O LEU A 79 11.452 32.434 8.786 1.00 0.00 O ATOM 1227 CB LEU A 79 8.792 30.430 8.749 1.00 0.00 C ATOM 1228 CG LEU A 79 7.299 30.254 9.048 1.00 0.00 C ATOM 1229 CD1 LEU A 79 7.029 28.790 9.376 1.00 0.00 C ATOM 1230 CD2 LEU A 79 6.861 31.118 10.227 1.00 0.00 C ATOM 0 H LEU A 79 8.226 31.699 6.525 1.00 0.00 H new ATOM 0 HA LEU A 79 9.013 32.520 9.257 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.072 29.774 7.925 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.371 30.116 9.617 1.00 0.00 H new ATOM 0 HG LEU A 79 6.734 30.564 8.169 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.969 28.655 9.590 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.309 28.169 8.525 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.615 28.498 10.247 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.797 30.969 10.412 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.427 30.836 11.115 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.046 32.167 9.998 1.00 0.00 H new ATOM 1242 N MET A 80 10.953 31.482 6.797 1.00 0.00 N ATOM 1243 CA MET A 80 12.310 31.426 6.261 1.00 0.00 C ATOM 1244 C MET A 80 13.280 30.681 7.183 1.00 0.00 C ATOM 1245 O MET A 80 14.482 30.692 6.934 1.00 0.00 O ATOM 1246 CB MET A 80 12.803 32.839 5.933 1.00 0.00 C ATOM 1247 CG MET A 80 11.758 33.590 5.115 1.00 0.00 C ATOM 1248 SD MET A 80 12.300 35.203 4.484 1.00 0.00 S ATOM 1249 CE MET A 80 13.325 34.640 3.101 1.00 0.00 C ATOM 0 H MET A 80 10.254 31.118 6.149 1.00 0.00 H new ATOM 0 HA MET A 80 12.279 30.846 5.338 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.011 33.382 6.855 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.739 32.785 5.377 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.461 32.967 4.271 1.00 0.00 H new ATOM 0 HG3 MET A 80 10.871 33.736 5.731 1.00 0.00 H new ATOM 0 HE1 MET A 80 13.119 35.252 2.223 1.00 0.00 H new ATOM 0 HE2 MET A 80 14.378 34.731 3.368 1.00 0.00 H new ATOM 0 HE3 MET A 80 13.096 33.598 2.879 1.00 0.00 H new ATOM 1259 N GLN A 81 12.770 30.037 8.245 1.00 0.00 N ATOM 1260 CA GLN A 81 13.561 29.373 9.276 1.00 0.00 C ATOM 1261 C GLN A 81 14.659 30.262 9.874 1.00 0.00 C ATOM 1262 O GLN A 81 15.575 29.761 10.527 1.00 0.00 O ATOM 1263 CB GLN A 81 14.078 28.015 8.789 1.00 0.00 C ATOM 1264 CG GLN A 81 12.953 26.979 8.726 1.00 0.00 C ATOM 1265 CD GLN A 81 12.435 26.572 10.105 1.00 0.00 C ATOM 1266 OE1 GLN A 81 12.876 27.090 11.128 1.00 0.00 O ATOM 1267 NE2 GLN A 81 11.494 25.635 10.143 1.00 0.00 N ATOM 0 H GLN A 81 11.766 29.966 8.408 1.00 0.00 H new ATOM 0 HA GLN A 81 12.888 29.178 10.111 1.00 0.00 H new ATOM 0 HB2 GLN A 81 14.527 28.127 7.802 1.00 0.00 H new ATOM 0 HB3 GLN A 81 14.863 27.662 9.458 1.00 0.00 H new ATOM 0 HG2 GLN A 81 12.128 27.383 8.139 1.00 0.00 H new ATOM 0 HG3 GLN A 81 13.312 26.093 8.203 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.148 25.224 9.276 1.00 0.00 H new ATOM 0 HE22 GLN A 81 11.117 25.327 11.039 1.00 0.00 H new