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= 0.111 K(o=1.1,f=-5.4!) USER MOD Set 1.2: A 68 GLN : amide:sc= 0.961 K(o=1.1,f=-4.7!) USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= 0.024 USER MOD Set 2.2: A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -163:sc= 0.861 (180deg=0.227) USER MOD Single : A 14 LYS NZ :NH3+ 149:sc= 1.09 (180deg=-0.0429) USER MOD Single : A 15 GLN : amide:sc= -1.01 K(o=-1,f=-2.8!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -155:sc= 1.17 (180deg=0.854) USER MOD Single : A 28 ASN : amide:sc= -0.951 K(o=-0.95,f=-3.2) USER MOD Single : A 33 LYS NZ :NH3+ 168:sc= 1.03 (180deg=0.917) USER MOD Single : A 34 LYS NZ :NH3+ 155:sc= 0.786 (180deg=0.431) USER MOD Single : A 35 HIS : no HD1:sc=-0.00192 X(o=-0.0019,f=0) USER MOD Single : A 39 GLN : amide:sc=-0.00191 K(o=-0.0019,f=-0.63) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 42 CYS SG : rot 48:sc= -0.549 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0133 USER MOD Single : A 47 HIS : no HE2:sc= 1.22 K(o=1.2,f=-3.6!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 52 SER OG : rot 168:sc= 2.13 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc=-0.00555 K(o=-0.0056,f=-1.3!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.884 USER MOD Single : A 70 GLN : amide:sc= -0.458 K(o=-0.46,f=-1.7) USER MOD Single : A 74 ASN : amide:sc= 0.15 K(o=0.15,f=-1.7) USER MOD Single : A 77 MET CE :methyl -127:sc= -0.329 (180deg=-1) USER MOD Single : A 78 SER OG : rot 5:sc= 0.262 USER MOD Single : A 80 MET CE :methyl 147:sc= -0.1 (180deg=-0.836) USER MOD Single : A 81 GLN : amide:sc= -0.532 X(o=-0.53,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 128 N VAL A 10 9.298 14.660 -10.956 1.00 0.00 N ATOM 129 CA VAL A 10 9.302 15.528 -9.784 1.00 0.00 C ATOM 130 C VAL A 10 8.420 16.755 -9.988 1.00 0.00 C ATOM 131 O VAL A 10 8.200 17.190 -11.118 1.00 0.00 O ATOM 132 CB VAL A 10 10.732 15.945 -9.399 1.00 0.00 C ATOM 133 CG1 VAL A 10 11.690 14.753 -9.320 1.00 0.00 C ATOM 134 CG2 VAL A 10 11.297 16.956 -10.402 1.00 0.00 C ATOM 0 HA VAL A 10 8.884 14.951 -8.959 1.00 0.00 H new ATOM 0 HB VAL A 10 10.657 16.397 -8.410 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.685 15.103 -9.045 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.333 14.048 -8.569 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.735 14.258 -10.290 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.309 17.235 -10.107 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.319 16.509 -11.396 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.666 17.845 -10.418 1.00 0.00 H new ATOM 144 N GLU A 11 7.919 17.313 -8.889 1.00 0.00 N ATOM 145 CA GLU A 11 7.172 18.562 -8.894 1.00 0.00 C ATOM 146 C GLU A 11 8.132 19.743 -8.825 1.00 0.00 C ATOM 147 O GLU A 11 9.289 19.588 -8.434 1.00 0.00 O ATOM 148 CB GLU A 11 6.191 18.586 -7.720 1.00 0.00 C ATOM 149 CG GLU A 11 5.083 17.548 -7.914 1.00 0.00 C ATOM 150 CD GLU A 11 4.179 17.851 -9.112 1.00 0.00 C ATOM 151 OE1 GLU A 11 4.280 18.970 -9.665 1.00 0.00 O ATOM 152 OE2 GLU A 11 3.386 16.951 -9.471 1.00 0.00 O ATOM 0 H GLU A 11 8.023 16.904 -7.961 1.00 0.00 H new ATOM 0 HA GLU A 11 6.602 18.638 -9.820 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.724 18.385 -6.791 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.752 19.579 -7.628 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.534 16.564 -8.046 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.475 17.501 -7.010 1.00 0.00 H new ATOM 159 N LYS A 12 7.650 20.933 -9.203 1.00 0.00 N ATOM 160 CA LYS A 12 8.457 22.145 -9.201 1.00 0.00 C ATOM 161 C LYS A 12 7.639 23.375 -8.846 1.00 0.00 C ATOM 162 O LYS A 12 6.434 23.436 -9.102 1.00 0.00 O ATOM 163 CB LYS A 12 9.131 22.334 -10.566 1.00 0.00 C ATOM 164 CG LYS A 12 10.628 22.043 -10.467 1.00 0.00 C ATOM 165 CD LYS A 12 11.313 22.431 -11.775 1.00 0.00 C ATOM 166 CE LYS A 12 12.835 22.357 -11.632 1.00 0.00 C ATOM 167 NZ LYS A 12 13.320 23.306 -10.611 1.00 0.00 N ATOM 0 H LYS A 12 6.690 21.076 -9.517 1.00 0.00 H new ATOM 0 HA LYS A 12 9.221 22.028 -8.432 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.673 21.671 -11.300 1.00 0.00 H new ATOM 0 HB3 LYS A 12 8.975 23.354 -10.917 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.063 22.601 -9.638 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.790 20.985 -10.260 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.985 21.766 -12.574 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.018 23.441 -12.060 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.129 21.343 -11.359 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.305 22.578 -12.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.343 23.450 -10.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.828 24.215 -10.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.131 22.922 -9.663 1.00 0.00 H new ATOM 181 N ILE A 13 8.319 24.354 -8.251 1.00 0.00 N ATOM 182 CA ILE A 13 7.764 25.648 -7.884 1.00 0.00 C ATOM 183 C ILE A 13 8.847 26.705 -8.092 1.00 0.00 C ATOM 184 O ILE A 13 10.031 26.412 -7.936 1.00 0.00 O ATOM 185 CB ILE A 13 7.282 25.629 -6.425 1.00 0.00 C ATOM 186 CG1 ILE A 13 5.998 24.798 -6.311 1.00 0.00 C ATOM 187 CG2 ILE A 13 7.046 27.046 -5.888 1.00 0.00 C ATOM 188 CD1 ILE A 13 5.452 24.793 -4.883 1.00 0.00 C ATOM 0 H ILE A 13 9.304 24.261 -8.005 1.00 0.00 H new ATOM 0 HA ILE A 13 6.901 25.881 -8.507 1.00 0.00 H new ATOM 0 HB ILE A 13 8.065 25.173 -5.818 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.244 25.199 -6.988 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.198 23.774 -6.628 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.706 26.991 -4.854 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.976 27.612 -5.935 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.288 27.543 -6.493 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.542 24.194 -4.843 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.196 24.367 -4.210 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.227 25.814 -4.576 1.00 0.00 H new ATOM 200 N LYS A 14 8.439 27.928 -8.441 1.00 0.00 N ATOM 201 CA LYS A 14 9.355 29.038 -8.641 1.00 0.00 C ATOM 202 C LYS A 14 8.760 30.288 -8.003 1.00 0.00 C ATOM 203 O LYS A 14 7.577 30.569 -8.182 1.00 0.00 O ATOM 204 CB LYS A 14 9.620 29.217 -10.136 1.00 0.00 C ATOM 205 CG LYS A 14 10.695 30.273 -10.389 1.00 0.00 C ATOM 206 CD LYS A 14 10.903 30.428 -11.896 1.00 0.00 C ATOM 207 CE LYS A 14 12.145 31.268 -12.205 1.00 0.00 C ATOM 208 NZ LYS A 14 13.367 30.624 -11.681 1.00 0.00 N ATOM 0 H LYS A 14 7.460 28.170 -8.592 1.00 0.00 H new ATOM 0 HA LYS A 14 10.315 28.842 -8.163 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.933 28.266 -10.568 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.697 29.507 -10.638 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.396 31.225 -9.951 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.629 29.981 -9.909 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.004 29.444 -12.354 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.025 30.897 -12.340 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.236 31.405 -13.282 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.036 32.259 -11.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.174 30.862 -12.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.551 30.963 -10.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.237 29.592 -11.666 1.00 0.00 H new ATOM 222 N GLN A 15 9.574 31.039 -7.261 1.00 0.00 N ATOM 223 CA GLN A 15 9.100 32.218 -6.557 1.00 0.00 C ATOM 224 C GLN A 15 10.251 33.187 -6.286 1.00 0.00 C ATOM 225 O GLN A 15 11.405 32.776 -6.166 1.00 0.00 O ATOM 226 CB GLN A 15 8.405 31.780 -5.260 1.00 0.00 C ATOM 227 CG GLN A 15 7.918 32.972 -4.435 1.00 0.00 C ATOM 228 CD GLN A 15 7.009 33.892 -5.242 1.00 0.00 C ATOM 229 OE1 GLN A 15 6.159 33.428 -5.999 1.00 0.00 O ATOM 230 NE2 GLN A 15 7.181 35.201 -5.087 1.00 0.00 N ATOM 0 H GLN A 15 10.568 30.846 -7.135 1.00 0.00 H new ATOM 0 HA GLN A 15 8.378 32.751 -7.176 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.558 31.138 -5.502 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.096 31.185 -4.663 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.381 32.611 -3.558 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.777 33.537 -4.073 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.897 35.549 -4.449 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.597 35.857 -5.606 1.00 0.00 H new ATOM 239 N TRP A 16 9.926 34.479 -6.191 1.00 0.00 N ATOM 240 CA TRP A 16 10.887 35.540 -5.947 1.00 0.00 C ATOM 241 C TRP A 16 10.891 35.942 -4.473 1.00 0.00 C ATOM 242 O TRP A 16 9.875 35.830 -3.790 1.00 0.00 O ATOM 243 CB TRP A 16 10.517 36.745 -6.811 1.00 0.00 C ATOM 244 CG TRP A 16 10.410 36.459 -8.276 1.00 0.00 C ATOM 245 CD1 TRP A 16 9.355 35.876 -8.881 1.00 0.00 C ATOM 246 CD2 TRP A 16 11.397 36.677 -9.329 1.00 0.00 C ATOM 247 NE1 TRP A 16 9.616 35.712 -10.226 1.00 0.00 N ATOM 248 CE2 TRP A 16 10.862 36.199 -10.560 1.00 0.00 C ATOM 249 CE3 TRP A 16 12.685 37.240 -9.373 1.00 0.00 C ATOM 250 CZ2 TRP A 16 11.570 36.273 -11.766 1.00 0.00 C ATOM 251 CZ3 TRP A 16 13.400 37.329 -10.579 1.00 0.00 C ATOM 252 CH2 TRP A 16 12.850 36.844 -11.774 1.00 0.00 C ATOM 0 H TRP A 16 8.968 34.816 -6.284 1.00 0.00 H new ATOM 0 HA TRP A 16 11.885 35.185 -6.203 1.00 0.00 H new ATOM 0 HB2 TRP A 16 9.565 37.145 -6.463 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.264 37.525 -6.661 1.00 0.00 H new ATOM 0 HD1 TRP A 16 8.441 35.581 -8.386 1.00 0.00 H new ATOM 0 HE1 TRP A 16 8.969 35.285 -10.889 1.00 0.00 H new ATOM 0 HE3 TRP A 16 13.133 37.611 -8.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 11.135 35.895 -12.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 14.383 37.776 -10.586 1.00 0.00 H new ATOM 0 HH2 TRP A 16 13.409 36.910 -12.695 1.00 0.00 H new ATOM 263 N ILE A 17 12.043 36.420 -4.001 1.00 0.00 N ATOM 264 CA ILE A 17 12.196 37.010 -2.679 1.00 0.00 C ATOM 265 C ILE A 17 13.065 38.254 -2.831 1.00 0.00 C ATOM 266 O ILE A 17 13.976 38.258 -3.659 1.00 0.00 O ATOM 267 CB ILE A 17 12.826 36.023 -1.683 1.00 0.00 C ATOM 268 CG1 ILE A 17 14.079 35.358 -2.267 1.00 0.00 C ATOM 269 CG2 ILE A 17 11.810 34.960 -1.258 1.00 0.00 C ATOM 270 CD1 ILE A 17 14.841 34.578 -1.198 1.00 0.00 C ATOM 0 H ILE A 17 12.909 36.406 -4.540 1.00 0.00 H new ATOM 0 HA ILE A 17 11.217 37.269 -2.276 1.00 0.00 H new ATOM 0 HB ILE A 17 13.127 36.592 -0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.793 34.686 -3.076 1.00 0.00 H new ATOM 0 HG13 ILE A 17 14.730 36.119 -2.699 1.00 0.00 H new ATOM 0 HG21 ILE A 17 12.277 34.272 -0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.956 35.442 -0.783 1.00 0.00 H new ATOM 0 HG23 ILE A 17 11.473 34.408 -2.135 1.00 0.00 H new ATOM 0 HD11 ILE A 17 15.724 34.118 -1.643 1.00 0.00 H new ATOM 0 HD12 ILE A 17 15.147 35.256 -0.402 1.00 0.00 H new ATOM 0 HD13 ILE A 17 14.197 33.802 -0.785 1.00 0.00 H new ATOM 282 N PRO A 18 12.813 39.316 -2.059 1.00 0.00 N ATOM 283 CA PRO A 18 13.576 40.544 -2.156 1.00 0.00 C ATOM 284 C PRO A 18 15.025 40.280 -1.762 1.00 0.00 C ATOM 285 O PRO A 18 15.287 39.553 -0.804 1.00 0.00 O ATOM 286 CB PRO A 18 12.891 41.528 -1.208 1.00 0.00 C ATOM 287 CG PRO A 18 12.211 40.616 -0.188 1.00 0.00 C ATOM 288 CD PRO A 18 11.794 39.414 -1.034 1.00 0.00 C ATOM 0 HA PRO A 18 13.602 40.947 -3.168 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.610 42.197 -0.734 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.169 42.155 -1.731 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.890 40.329 0.615 1.00 0.00 H new ATOM 0 HG3 PRO A 18 11.353 41.100 0.278 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.746 38.505 -0.434 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.806 39.560 -1.470 1.00 0.00 H new ATOM 296 N THR A 19 15.971 40.866 -2.500 1.00 0.00 N ATOM 297 CA THR A 19 17.390 40.655 -2.254 1.00 0.00 C ATOM 298 C THR A 19 17.881 41.102 -0.880 1.00 0.00 C ATOM 299 O THR A 19 18.979 40.741 -0.455 1.00 0.00 O ATOM 300 CB THR A 19 18.260 41.163 -3.409 1.00 0.00 C ATOM 301 OG1 THR A 19 17.541 41.104 -4.624 1.00 0.00 O ATOM 302 CG2 THR A 19 19.540 40.341 -3.554 1.00 0.00 C ATOM 0 H THR A 19 15.772 41.495 -3.278 1.00 0.00 H new ATOM 0 HA THR A 19 17.510 39.572 -2.223 1.00 0.00 H new ATOM 0 HB THR A 19 18.530 42.194 -3.181 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.106 41.432 -5.355 1.00 0.00 H new ATOM 0 HG21 THR A 19 20.131 40.731 -4.383 1.00 0.00 H new ATOM 0 HG22 THR A 19 20.120 40.405 -2.633 1.00 0.00 H new ATOM 0 HG23 THR A 19 19.284 39.300 -3.749 1.00 0.00 H new ATOM 310 N THR A 20 17.060 41.890 -0.176 1.00 0.00 N ATOM 311 CA THR A 20 17.344 42.330 1.179 1.00 0.00 C ATOM 312 C THR A 20 17.005 41.310 2.264 1.00 0.00 C ATOM 313 O THR A 20 17.341 41.509 3.430 1.00 0.00 O ATOM 314 CB THR A 20 16.742 43.710 1.463 1.00 0.00 C ATOM 315 OG1 THR A 20 15.429 43.569 1.958 1.00 0.00 O ATOM 316 CG2 THR A 20 16.701 44.593 0.216 1.00 0.00 C ATOM 0 H THR A 20 16.174 42.239 -0.542 1.00 0.00 H new ATOM 0 HA THR A 20 18.429 42.424 1.229 1.00 0.00 H new ATOM 0 HB THR A 20 17.384 44.190 2.202 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.051 44.455 2.139 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.266 45.560 0.469 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.714 44.738 -0.161 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.094 44.112 -0.551 1.00 0.00 H new ATOM 324 N GLU A 21 16.339 40.217 1.876 1.00 0.00 N ATOM 325 CA GLU A 21 15.935 39.162 2.797 1.00 0.00 C ATOM 326 C GLU A 21 16.566 37.818 2.431 1.00 0.00 C ATOM 327 O GLU A 21 16.396 36.844 3.159 1.00 0.00 O ATOM 328 CB GLU A 21 14.409 39.037 2.810 1.00 0.00 C ATOM 329 CG GLU A 21 13.694 40.341 3.174 1.00 0.00 C ATOM 330 CD GLU A 21 13.989 40.822 4.593 1.00 0.00 C ATOM 331 OE1 GLU A 21 13.611 41.977 4.899 1.00 0.00 O ATOM 332 OE2 GLU A 21 14.589 40.049 5.369 1.00 0.00 O ATOM 0 H GLU A 21 16.066 40.043 0.909 1.00 0.00 H new ATOM 0 HA GLU A 21 16.289 39.435 3.791 1.00 0.00 H new ATOM 0 HB2 GLU A 21 14.071 38.708 1.827 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.122 38.263 3.522 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.988 41.117 2.467 1.00 0.00 H new ATOM 0 HG3 GLU A 21 12.619 40.200 3.063 1.00 0.00 H new ATOM 339 N VAL A 22 17.299 37.749 1.313 1.00 0.00 N ATOM 340 CA VAL A 22 17.971 36.518 0.902 1.00 0.00 C ATOM 341 C VAL A 22 19.000 36.126 1.966 1.00 0.00 C ATOM 342 O VAL A 22 19.371 34.958 2.081 1.00 0.00 O ATOM 343 CB VAL A 22 18.658 36.760 -0.446 1.00 0.00 C ATOM 344 CG1 VAL A 22 19.563 35.597 -0.853 1.00 0.00 C ATOM 345 CG2 VAL A 22 17.613 36.943 -1.547 1.00 0.00 C ATOM 0 H VAL A 22 17.440 38.535 0.678 1.00 0.00 H new ATOM 0 HA VAL A 22 17.251 35.707 0.797 1.00 0.00 H new ATOM 0 HB VAL A 22 19.265 37.658 -0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 22 20.027 35.816 -1.815 1.00 0.00 H new ATOM 0 HG12 VAL A 22 20.338 35.458 -0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 22 18.970 34.686 -0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 22 18.114 37.114 -2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 22 16.997 36.046 -1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 22 16.981 37.799 -1.310 1.00 0.00 H new ATOM 355 N GLY A 23 19.459 37.104 2.754 1.00 0.00 N ATOM 356 CA GLY A 23 20.446 36.873 3.798 1.00 0.00 C ATOM 357 C GLY A 23 19.882 36.049 4.951 1.00 0.00 C ATOM 358 O GLY A 23 20.648 35.531 5.761 1.00 0.00 O ATOM 0 H GLY A 23 19.153 38.074 2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.308 36.358 3.373 1.00 0.00 H new ATOM 0 HA3 GLY A 23 20.802 37.831 4.178 1.00 0.00 H new ATOM 362 N LYS A 24 18.552 35.918 5.038 1.00 0.00 N ATOM 363 CA LYS A 24 17.917 35.103 6.068 1.00 0.00 C ATOM 364 C LYS A 24 17.867 33.631 5.664 1.00 0.00 C ATOM 365 O LYS A 24 17.450 32.790 6.457 1.00 0.00 O ATOM 366 CB LYS A 24 16.509 35.622 6.386 1.00 0.00 C ATOM 367 CG LYS A 24 16.513 36.844 7.311 1.00 0.00 C ATOM 368 CD LYS A 24 17.195 38.063 6.683 1.00 0.00 C ATOM 369 CE LYS A 24 17.088 39.280 7.603 1.00 0.00 C ATOM 370 NZ LYS A 24 15.684 39.670 7.834 1.00 0.00 N ATOM 0 H LYS A 24 17.896 36.371 4.401 1.00 0.00 H new ATOM 0 HA LYS A 24 18.525 35.182 6.969 1.00 0.00 H new ATOM 0 HB2 LYS A 24 16.005 35.880 5.455 1.00 0.00 H new ATOM 0 HB3 LYS A 24 15.930 34.824 6.851 1.00 0.00 H new ATOM 0 HG2 LYS A 24 15.486 37.101 7.569 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.021 36.588 8.241 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.244 37.839 6.490 1.00 0.00 H new ATOM 0 HD3 LYS A 24 16.734 38.287 5.721 1.00 0.00 H new ATOM 0 HE2 LYS A 24 17.565 39.057 8.557 1.00 0.00 H new ATOM 0 HE3 LYS A 24 17.630 40.117 7.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 15.640 40.680 8.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 15.130 39.498 6.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 15.291 39.107 8.615 1.00 0.00 H new ATOM 384 N ILE A 25 18.287 33.319 4.433 1.00 0.00 N ATOM 385 CA ILE A 25 18.233 31.960 3.911 1.00 0.00 C ATOM 386 C ILE A 25 19.632 31.450 3.565 1.00 0.00 C ATOM 387 O ILE A 25 19.903 30.264 3.714 1.00 0.00 O ATOM 388 CB ILE A 25 17.321 31.933 2.677 1.00 0.00 C ATOM 389 CG1 ILE A 25 15.952 32.560 2.977 1.00 0.00 C ATOM 390 CG2 ILE A 25 17.156 30.499 2.175 1.00 0.00 C ATOM 391 CD1 ILE A 25 15.102 32.644 1.712 1.00 0.00 C ATOM 0 H ILE A 25 18.671 34.001 3.778 1.00 0.00 H new ATOM 0 HA ILE A 25 17.826 31.298 4.676 1.00 0.00 H new ATOM 0 HB ILE A 25 17.793 32.529 1.896 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.433 31.967 3.730 1.00 0.00 H new ATOM 0 HG13 ILE A 25 16.088 33.557 3.395 1.00 0.00 H new ATOM 0 HG21 ILE A 25 16.507 30.492 1.299 1.00 0.00 H new ATOM 0 HG22 ILE A 25 18.131 30.093 1.907 1.00 0.00 H new ATOM 0 HG23 ILE A 25 16.712 29.887 2.960 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.137 33.092 1.951 1.00 0.00 H new ATOM 0 HD12 ILE A 25 15.613 33.258 0.970 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.948 31.643 1.310 1.00 0.00 H new ATOM 403 N LEU A 26 20.515 32.344 3.102 1.00 0.00 N ATOM 404 CA LEU A 26 21.843 31.982 2.624 1.00 0.00 C ATOM 405 C LEU A 26 22.966 32.662 3.411 1.00 0.00 C ATOM 406 O LEU A 26 24.135 32.519 3.060 1.00 0.00 O ATOM 407 CB LEU A 26 21.956 32.333 1.138 1.00 0.00 C ATOM 408 CG LEU A 26 20.782 31.815 0.305 1.00 0.00 C ATOM 409 CD1 LEU A 26 20.963 32.271 -1.137 1.00 0.00 C ATOM 410 CD2 LEU A 26 20.725 30.290 0.325 1.00 0.00 C ATOM 0 H LEU A 26 20.321 33.344 3.051 1.00 0.00 H new ATOM 0 HA LEU A 26 21.964 30.909 2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 26 22.019 33.416 1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 26 22.884 31.919 0.743 1.00 0.00 H new ATOM 0 HG LEU A 26 19.858 32.208 0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 26 20.131 31.907 -1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 26 20.989 33.360 -1.174 1.00 0.00 H new ATOM 0 HD13 LEU A 26 21.898 31.872 -1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 26 19.881 29.950 -0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 26 21.650 29.886 -0.087 1.00 0.00 H new ATOM 0 HD23 LEU A 26 20.603 29.944 1.351 1.00 0.00 H new ATOM 422 N GLY A 27 22.623 33.402 4.471 1.00 0.00 N ATOM 423 CA GLY A 27 23.585 34.182 5.240 1.00 0.00 C ATOM 424 C GLY A 27 24.440 33.334 6.183 1.00 0.00 C ATOM 425 O GLY A 27 25.260 33.880 6.919 1.00 0.00 O ATOM 0 H GLY A 27 21.666 33.474 4.817 1.00 0.00 H new ATOM 0 HA2 GLY A 27 24.239 34.718 4.552 1.00 0.00 H new ATOM 0 HA3 GLY A 27 23.050 34.932 5.822 1.00 0.00 H new ATOM 429 N ASN A 28 24.263 32.011 6.176 1.00 0.00 N ATOM 430 CA ASN A 28 24.971 31.107 7.070 1.00 0.00 C ATOM 431 C ASN A 28 25.231 29.756 6.402 1.00 0.00 C ATOM 432 O ASN A 28 24.776 28.719 6.884 1.00 0.00 O ATOM 433 CB ASN A 28 24.206 30.962 8.390 1.00 0.00 C ATOM 434 CG ASN A 28 22.724 30.667 8.200 1.00 0.00 C ATOM 435 OD1 ASN A 28 22.286 30.231 7.138 1.00 0.00 O ATOM 436 ND2 ASN A 28 21.936 30.904 9.242 1.00 0.00 N ATOM 0 H ASN A 28 23.618 31.538 5.543 1.00 0.00 H new ATOM 0 HA ASN A 28 25.948 31.534 7.297 1.00 0.00 H new ATOM 0 HB2 ASN A 28 24.656 30.161 8.976 1.00 0.00 H new ATOM 0 HB3 ASN A 28 24.315 31.880 8.968 1.00 0.00 H new ATOM 0 HD21 ASN A 28 20.934 30.724 9.175 1.00 0.00 H new ATOM 0 HD22 ASN A 28 22.332 31.266 10.109 1.00 0.00 H new ATOM 443 N ARG A 29 25.969 29.772 5.286 1.00 0.00 N ATOM 444 CA ARG A 29 26.261 28.573 4.499 1.00 0.00 C ATOM 445 C ARG A 29 24.982 27.862 4.068 1.00 0.00 C ATOM 446 O ARG A 29 24.973 26.647 3.883 1.00 0.00 O ATOM 447 CB ARG A 29 27.240 27.654 5.237 1.00 0.00 C ATOM 448 CG ARG A 29 28.550 28.385 5.536 1.00 0.00 C ATOM 449 CD ARG A 29 29.531 27.440 6.228 1.00 0.00 C ATOM 450 NE ARG A 29 30.797 28.124 6.531 1.00 0.00 N ATOM 451 CZ ARG A 29 31.118 28.633 7.724 1.00 0.00 C ATOM 452 NH1 ARG A 29 30.276 28.557 8.750 1.00 0.00 N ATOM 453 NH2 ARG A 29 32.298 29.222 7.898 1.00 0.00 N ATOM 0 H ARG A 29 26.382 30.623 4.903 1.00 0.00 H new ATOM 0 HA ARG A 29 26.759 28.881 3.580 1.00 0.00 H new ATOM 0 HB2 ARG A 29 26.790 27.309 6.168 1.00 0.00 H new ATOM 0 HB3 ARG A 29 27.441 26.769 4.633 1.00 0.00 H new ATOM 0 HG2 ARG A 29 28.986 28.760 4.610 1.00 0.00 H new ATOM 0 HG3 ARG A 29 28.357 29.250 6.171 1.00 0.00 H new ATOM 0 HD2 ARG A 29 29.088 27.062 7.149 1.00 0.00 H new ATOM 0 HD3 ARG A 29 29.723 26.578 5.589 1.00 0.00 H new ATOM 0 HE ARG A 29 31.478 28.216 5.777 1.00 0.00 H new ATOM 0 HH11 ARG A 29 29.369 28.105 8.633 1.00 0.00 H new ATOM 0 HH12 ARG A 29 30.537 28.951 9.654 1.00 0.00 H new ATOM 0 HH21 ARG A 29 32.956 29.285 7.121 1.00 0.00 H new ATOM 0 HH22 ARG A 29 32.545 29.611 8.808 1.00 0.00 H new ATOM 467 N ALA A 30 23.903 28.636 3.910 1.00 0.00 N ATOM 468 CA ALA A 30 22.589 28.149 3.528 1.00 0.00 C ATOM 469 C ALA A 30 22.061 27.067 4.468 1.00 0.00 C ATOM 470 O ALA A 30 21.245 26.241 4.062 1.00 0.00 O ATOM 471 CB ALA A 30 22.595 27.718 2.061 1.00 0.00 C ATOM 0 H ALA A 30 23.929 29.646 4.050 1.00 0.00 H new ATOM 0 HA ALA A 30 21.882 28.972 3.630 1.00 0.00 H new ATOM 0 HB1 ALA A 30 21.605 27.354 1.785 1.00 0.00 H new ATOM 0 HB2 ALA A 30 22.858 28.569 1.433 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.327 26.923 1.918 1.00 0.00 H new ATOM 477 N ALA A 31 22.514 27.053 5.726 1.00 0.00 N ATOM 478 CA ALA A 31 22.063 26.067 6.695 1.00 0.00 C ATOM 479 C ALA A 31 20.559 26.185 6.948 1.00 0.00 C ATOM 480 O ALA A 31 19.927 25.207 7.345 1.00 0.00 O ATOM 481 CB ALA A 31 22.841 26.270 7.995 1.00 0.00 C ATOM 0 H ALA A 31 23.195 27.719 6.091 1.00 0.00 H new ATOM 0 HA ALA A 31 22.248 25.067 6.302 1.00 0.00 H new ATOM 0 HB1 ALA A 31 22.514 25.537 8.733 1.00 0.00 H new ATOM 0 HB2 ALA A 31 23.907 26.143 7.805 1.00 0.00 H new ATOM 0 HB3 ALA A 31 22.658 27.275 8.376 1.00 0.00 H new ATOM 487 N VAL A 32 19.982 27.368 6.722 1.00 0.00 N ATOM 488 CA VAL A 32 18.546 27.569 6.872 1.00 0.00 C ATOM 489 C VAL A 32 17.803 26.904 5.718 1.00 0.00 C ATOM 490 O VAL A 32 16.736 26.333 5.925 1.00 0.00 O ATOM 491 CB VAL A 32 18.239 29.070 6.915 1.00 0.00 C ATOM 492 CG1 VAL A 32 16.733 29.308 6.980 1.00 0.00 C ATOM 493 CG2 VAL A 32 18.887 29.699 8.145 1.00 0.00 C ATOM 0 H VAL A 32 20.493 28.202 6.433 1.00 0.00 H new ATOM 0 HA VAL A 32 18.212 27.114 7.805 1.00 0.00 H new ATOM 0 HB VAL A 32 18.639 29.524 6.008 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.535 30.379 7.010 1.00 0.00 H new ATOM 0 HG12 VAL A 32 16.258 28.876 6.099 1.00 0.00 H new ATOM 0 HG13 VAL A 32 16.329 28.839 7.877 1.00 0.00 H new ATOM 0 HG21 VAL A 32 18.664 30.766 8.168 1.00 0.00 H new ATOM 0 HG22 VAL A 32 18.494 29.226 9.045 1.00 0.00 H new ATOM 0 HG23 VAL A 32 19.967 29.555 8.101 1.00 0.00 H new ATOM 503 N LYS A 33 18.363 26.968 4.504 1.00 0.00 N ATOM 504 CA LYS A 33 17.744 26.351 3.339 1.00 0.00 C ATOM 505 C LYS A 33 17.798 24.834 3.472 1.00 0.00 C ATOM 506 O LYS A 33 16.835 24.147 3.145 1.00 0.00 O ATOM 507 CB LYS A 33 18.484 26.809 2.080 1.00 0.00 C ATOM 508 CG LYS A 33 17.805 26.283 0.811 1.00 0.00 C ATOM 509 CD LYS A 33 18.565 26.737 -0.441 1.00 0.00 C ATOM 510 CE LYS A 33 19.927 26.048 -0.559 1.00 0.00 C ATOM 511 NZ LYS A 33 19.780 24.596 -0.783 1.00 0.00 N ATOM 0 H LYS A 33 19.245 27.443 4.309 1.00 0.00 H new ATOM 0 HA LYS A 33 16.699 26.653 3.267 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.518 27.898 2.052 1.00 0.00 H new ATOM 0 HB3 LYS A 33 19.516 26.459 2.115 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.762 25.194 0.841 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.777 26.642 0.768 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.969 26.519 -1.327 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.706 27.817 -0.409 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.489 26.489 -1.382 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.504 26.221 0.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.698 24.193 -1.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.451 24.141 0.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.087 24.430 -1.540 1.00 0.00 H new ATOM 525 N LYS A 34 18.930 24.317 3.953 1.00 0.00 N ATOM 526 CA LYS A 34 19.148 22.885 4.110 1.00 0.00 C ATOM 527 C LYS A 34 18.251 22.294 5.192 1.00 0.00 C ATOM 528 O LYS A 34 18.003 21.091 5.189 1.00 0.00 O ATOM 529 CB LYS A 34 20.623 22.644 4.440 1.00 0.00 C ATOM 530 CG LYS A 34 21.507 23.053 3.258 1.00 0.00 C ATOM 531 CD LYS A 34 22.966 23.154 3.698 1.00 0.00 C ATOM 532 CE LYS A 34 23.821 23.606 2.518 1.00 0.00 C ATOM 533 NZ LYS A 34 25.210 23.881 2.935 1.00 0.00 N ATOM 0 H LYS A 34 19.724 24.887 4.245 1.00 0.00 H new ATOM 0 HA LYS A 34 18.890 22.385 3.176 1.00 0.00 H new ATOM 0 HB2 LYS A 34 20.902 23.214 5.326 1.00 0.00 H new ATOM 0 HB3 LYS A 34 20.783 21.592 4.675 1.00 0.00 H new ATOM 0 HG2 LYS A 34 21.412 22.323 2.454 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.173 24.011 2.860 1.00 0.00 H new ATOM 0 HD2 LYS A 34 23.061 23.861 4.522 1.00 0.00 H new ATOM 0 HD3 LYS A 34 23.314 22.189 4.065 1.00 0.00 H new ATOM 0 HE2 LYS A 34 23.817 22.836 1.747 1.00 0.00 H new ATOM 0 HE3 LYS A 34 23.388 24.503 2.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 25.846 23.769 2.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 25.278 24.854 3.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 25.486 23.214 3.683 1.00 0.00 H new ATOM 547 N HIS A 35 17.758 23.126 6.117 1.00 0.00 N ATOM 548 CA HIS A 35 16.864 22.667 7.171 1.00 0.00 C ATOM 549 C HIS A 35 15.458 22.427 6.624 1.00 0.00 C ATOM 550 O HIS A 35 14.746 21.558 7.121 1.00 0.00 O ATOM 551 CB HIS A 35 16.831 23.712 8.286 1.00 0.00 C ATOM 552 CG HIS A 35 16.084 23.236 9.504 1.00 0.00 C ATOM 553 ND1 HIS A 35 16.611 22.511 10.556 1.00 0.00 N ATOM 554 CD2 HIS A 35 14.757 23.446 9.761 1.00 0.00 C ATOM 555 CE1 HIS A 35 15.621 22.282 11.438 1.00 0.00 C ATOM 556 NE2 HIS A 35 14.487 22.846 10.977 1.00 0.00 N ATOM 0 H HIS A 35 17.968 24.124 6.151 1.00 0.00 H new ATOM 0 HA HIS A 35 17.233 21.721 7.567 1.00 0.00 H new ATOM 0 HB2 HIS A 35 17.852 23.969 8.568 1.00 0.00 H new ATOM 0 HB3 HIS A 35 16.365 24.623 7.911 1.00 0.00 H new ATOM 0 HD2 HIS A 35 14.056 23.978 9.135 1.00 0.00 H new ATOM 0 HE1 HIS A 35 15.719 21.735 12.364 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.582 22.832 11.446 1.00 0.00 H new ATOM 565 N ILE A 36 15.055 23.190 5.603 1.00 0.00 N ATOM 566 CA ILE A 36 13.740 23.023 4.994 1.00 0.00 C ATOM 567 C ILE A 36 13.728 21.766 4.123 1.00 0.00 C ATOM 568 O ILE A 36 12.697 21.110 3.981 1.00 0.00 O ATOM 569 CB ILE A 36 13.390 24.270 4.168 1.00 0.00 C ATOM 570 CG1 ILE A 36 13.417 25.513 5.068 1.00 0.00 C ATOM 571 CG2 ILE A 36 12.017 24.112 3.510 1.00 0.00 C ATOM 572 CD1 ILE A 36 13.221 26.800 4.267 1.00 0.00 C ATOM 0 H ILE A 36 15.622 23.927 5.184 1.00 0.00 H new ATOM 0 HA ILE A 36 12.987 22.905 5.774 1.00 0.00 H new ATOM 0 HB ILE A 36 14.131 24.390 3.378 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.635 25.432 5.823 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.368 25.557 5.599 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.787 25.005 2.929 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.027 23.244 2.851 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.258 23.974 4.280 1.00 0.00 H new ATOM 0 HD11 ILE A 36 13.247 27.656 4.942 1.00 0.00 H new ATOM 0 HD12 ILE A 36 14.018 26.895 3.530 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.258 26.768 3.758 1.00 0.00 H new ATOM 584 N GLU A 37 14.880 21.425 3.539 1.00 0.00 N ATOM 585 CA GLU A 37 15.005 20.252 2.687 1.00 0.00 C ATOM 586 C GLU A 37 14.829 18.959 3.482 1.00 0.00 C ATOM 587 O GLU A 37 14.379 17.956 2.931 1.00 0.00 O ATOM 588 CB GLU A 37 16.375 20.270 2.002 1.00 0.00 C ATOM 589 CG GLU A 37 16.474 21.467 1.057 1.00 0.00 C ATOM 590 CD GLU A 37 17.819 21.525 0.331 1.00 0.00 C ATOM 591 OE1 GLU A 37 17.962 22.430 -0.521 1.00 0.00 O ATOM 592 OE2 GLU A 37 18.686 20.675 0.624 1.00 0.00 O ATOM 0 H GLU A 37 15.745 21.955 3.646 1.00 0.00 H new ATOM 0 HA GLU A 37 14.215 20.284 1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 37 17.164 20.322 2.752 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.524 19.344 1.446 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.670 21.415 0.323 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.330 22.387 1.623 1.00 0.00 H new ATOM 599 N ARG A 38 15.178 18.969 4.774 1.00 0.00 N ATOM 600 CA ARG A 38 15.016 17.796 5.629 1.00 0.00 C ATOM 601 C ARG A 38 13.709 17.852 6.415 1.00 0.00 C ATOM 602 O ARG A 38 13.365 16.900 7.115 1.00 0.00 O ATOM 603 CB ARG A 38 16.253 17.617 6.523 1.00 0.00 C ATOM 604 CG ARG A 38 16.543 18.782 7.473 1.00 0.00 C ATOM 605 CD ARG A 38 15.528 18.926 8.612 1.00 0.00 C ATOM 606 NE ARG A 38 15.331 17.662 9.329 1.00 0.00 N ATOM 607 CZ ARG A 38 16.072 17.246 10.360 1.00 0.00 C ATOM 608 NH1 ARG A 38 17.081 17.979 10.818 1.00 0.00 N ATOM 609 NH2 ARG A 38 15.800 16.082 10.941 1.00 0.00 N ATOM 0 H ARG A 38 15.575 19.781 5.248 1.00 0.00 H new ATOM 0 HA ARG A 38 14.943 16.908 5.001 1.00 0.00 H new ATOM 0 HB2 ARG A 38 16.127 16.710 7.114 1.00 0.00 H new ATOM 0 HB3 ARG A 38 17.124 17.463 5.885 1.00 0.00 H new ATOM 0 HG2 ARG A 38 17.537 18.650 7.901 1.00 0.00 H new ATOM 0 HG3 ARG A 38 16.564 19.709 6.899 1.00 0.00 H new ATOM 0 HD2 ARG A 38 15.871 19.690 9.310 1.00 0.00 H new ATOM 0 HD3 ARG A 38 14.575 19.267 8.208 1.00 0.00 H new ATOM 0 HE ARG A 38 14.572 17.056 9.018 1.00 0.00 H new ATOM 0 HH11 ARG A 38 17.300 18.874 10.382 1.00 0.00 H new ATOM 0 HH12 ARG A 38 17.636 17.646 11.606 1.00 0.00 H new ATOM 0 HH21 ARG A 38 15.028 15.510 10.600 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.363 15.761 11.728 1.00 0.00 H new ATOM 623 N GLN A 39 12.978 18.967 6.305 1.00 0.00 N ATOM 624 CA GLN A 39 11.699 19.145 6.976 1.00 0.00 C ATOM 625 C GLN A 39 10.554 18.640 6.102 1.00 0.00 C ATOM 626 O GLN A 39 9.523 18.215 6.619 1.00 0.00 O ATOM 627 CB GLN A 39 11.529 20.633 7.297 1.00 0.00 C ATOM 628 CG GLN A 39 10.130 20.968 7.825 1.00 0.00 C ATOM 629 CD GLN A 39 9.771 20.198 9.093 1.00 0.00 C ATOM 630 OE1 GLN A 39 10.639 19.831 9.881 1.00 0.00 O ATOM 631 NE2 GLN A 39 8.481 19.948 9.299 1.00 0.00 N ATOM 0 H GLN A 39 13.264 19.770 5.745 1.00 0.00 H new ATOM 0 HA GLN A 39 11.679 18.565 7.899 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.273 20.928 8.037 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.724 21.219 6.399 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.070 22.037 8.027 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.394 20.748 7.052 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.786 20.267 8.624 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.187 19.437 10.132 1.00 0.00 H new ATOM 640 N PHE A 40 10.744 18.685 4.780 1.00 0.00 N ATOM 641 CA PHE A 40 9.723 18.294 3.822 1.00 0.00 C ATOM 642 C PHE A 40 10.247 17.345 2.741 1.00 0.00 C ATOM 643 O PHE A 40 9.550 17.077 1.763 1.00 0.00 O ATOM 644 CB PHE A 40 9.071 19.542 3.220 1.00 0.00 C ATOM 645 CG PHE A 40 8.340 20.405 4.225 1.00 0.00 C ATOM 646 CD1 PHE A 40 8.743 21.734 4.413 1.00 0.00 C ATOM 647 CD2 PHE A 40 7.271 19.886 4.971 1.00 0.00 C ATOM 648 CE1 PHE A 40 8.071 22.548 5.335 1.00 0.00 C ATOM 649 CE2 PHE A 40 6.605 20.696 5.898 1.00 0.00 C ATOM 650 CZ PHE A 40 7.005 22.028 6.083 1.00 0.00 C ATOM 0 H PHE A 40 11.615 18.996 4.350 1.00 0.00 H new ATOM 0 HA PHE A 40 8.965 17.726 4.361 1.00 0.00 H new ATOM 0 HB2 PHE A 40 9.841 20.142 2.734 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.370 19.234 2.444 1.00 0.00 H new ATOM 0 HD1 PHE A 40 9.572 22.131 3.847 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.962 18.861 4.830 1.00 0.00 H new ATOM 0 HE1 PHE A 40 8.374 23.576 5.469 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.782 20.295 6.472 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.493 22.652 6.800 1.00 0.00 H new ATOM 660 N ASN A 41 11.476 16.845 2.914 1.00 0.00 N ATOM 661 CA ASN A 41 12.152 15.983 1.950 1.00 0.00 C ATOM 662 C ASN A 41 12.276 16.635 0.569 1.00 0.00 C ATOM 663 O ASN A 41 12.520 15.949 -0.424 1.00 0.00 O ATOM 664 CB ASN A 41 11.481 14.607 1.903 1.00 0.00 C ATOM 665 CG ASN A 41 11.512 13.900 3.254 1.00 0.00 C ATOM 666 OD1 ASN A 41 12.251 14.280 4.159 1.00 0.00 O ATOM 667 ND2 ASN A 41 10.705 12.855 3.401 1.00 0.00 N ATOM 0 H ASN A 41 12.035 17.035 3.746 1.00 0.00 H new ATOM 0 HA ASN A 41 13.177 15.836 2.289 1.00 0.00 H new ATOM 0 HB2 ASN A 41 10.447 14.721 1.579 1.00 0.00 H new ATOM 0 HB3 ASN A 41 11.981 13.987 1.159 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.688 12.344 4.284 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.103 12.563 2.631 1.00 0.00 H new ATOM 674 N CYS A 42 12.107 17.959 0.499 1.00 0.00 N ATOM 675 CA CYS A 42 12.199 18.721 -0.731 1.00 0.00 C ATOM 676 C CYS A 42 13.643 19.139 -0.999 1.00 0.00 C ATOM 677 O CYS A 42 14.540 18.843 -0.211 1.00 0.00 O ATOM 678 CB CYS A 42 11.296 19.949 -0.610 1.00 0.00 C ATOM 679 SG CYS A 42 9.574 19.408 -0.468 1.00 0.00 S ATOM 0 H CYS A 42 11.899 18.533 1.316 1.00 0.00 H new ATOM 0 HA CYS A 42 11.874 18.106 -1.570 1.00 0.00 H new ATOM 0 HB2 CYS A 42 11.578 20.538 0.263 1.00 0.00 H new ATOM 0 HB3 CYS A 42 11.417 20.592 -1.482 1.00 0.00 H new ATOM 0 HG CYS A 42 9.488 18.461 0.418 1.00 0.00 H new ATOM 685 N VAL A 43 13.865 19.834 -2.117 1.00 0.00 N ATOM 686 CA VAL A 43 15.158 20.413 -2.456 1.00 0.00 C ATOM 687 C VAL A 43 14.915 21.853 -2.883 1.00 0.00 C ATOM 688 O VAL A 43 13.891 22.145 -3.502 1.00 0.00 O ATOM 689 CB VAL A 43 15.836 19.595 -3.562 1.00 0.00 C ATOM 690 CG1 VAL A 43 17.140 20.260 -4.011 1.00 0.00 C ATOM 691 CG2 VAL A 43 16.154 18.185 -3.070 1.00 0.00 C ATOM 0 H VAL A 43 13.143 20.010 -2.816 1.00 0.00 H new ATOM 0 HA VAL A 43 15.832 20.396 -1.600 1.00 0.00 H new ATOM 0 HB VAL A 43 15.144 19.545 -4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 43 17.602 19.661 -4.796 1.00 0.00 H new ATOM 0 HG12 VAL A 43 16.926 21.258 -4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.821 20.335 -3.163 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.635 17.621 -3.869 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.824 18.241 -2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 43 15.231 17.685 -2.777 1.00 0.00 H new ATOM 701 N ILE A 44 15.843 22.759 -2.567 1.00 0.00 N ATOM 702 CA ILE A 44 15.676 24.175 -2.862 1.00 0.00 C ATOM 703 C ILE A 44 16.967 24.742 -3.447 1.00 0.00 C ATOM 704 O ILE A 44 18.061 24.381 -3.014 1.00 0.00 O ATOM 705 CB ILE A 44 15.248 24.929 -1.595 1.00 0.00 C ATOM 706 CG1 ILE A 44 13.946 24.338 -1.034 1.00 0.00 C ATOM 707 CG2 ILE A 44 15.074 26.424 -1.887 1.00 0.00 C ATOM 708 CD1 ILE A 44 13.507 25.036 0.253 1.00 0.00 C ATOM 0 H ILE A 44 16.722 22.530 -2.104 1.00 0.00 H new ATOM 0 HA ILE A 44 14.889 24.302 -3.606 1.00 0.00 H new ATOM 0 HB ILE A 44 16.033 24.815 -0.847 1.00 0.00 H new ATOM 0 HG12 ILE A 44 13.157 24.426 -1.781 1.00 0.00 H new ATOM 0 HG13 ILE A 44 14.085 23.274 -0.840 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.771 26.940 -0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 44 16.018 26.838 -2.241 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.309 26.559 -2.652 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.582 24.586 0.614 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.284 24.926 1.010 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.341 26.095 0.054 1.00 0.00 H new ATOM 720 N THR A 45 16.836 25.639 -4.429 1.00 0.00 N ATOM 721 CA THR A 45 17.976 26.273 -5.078 1.00 0.00 C ATOM 722 C THR A 45 17.808 27.757 -5.378 1.00 0.00 C ATOM 723 O THR A 45 16.783 28.172 -5.912 1.00 0.00 O ATOM 724 CB THR A 45 18.437 25.499 -6.317 1.00 0.00 C ATOM 725 OG1 THR A 45 18.270 24.110 -6.142 1.00 0.00 O ATOM 726 CG2 THR A 45 19.892 25.817 -6.648 1.00 0.00 C ATOM 0 H THR A 45 15.933 25.943 -4.793 1.00 0.00 H new ATOM 0 HA THR A 45 18.767 26.228 -4.329 1.00 0.00 H new ATOM 0 HB THR A 45 17.813 25.816 -7.153 1.00 0.00 H new ATOM 0 HG1 THR A 45 18.570 23.640 -6.948 1.00 0.00 H new ATOM 0 HG21 THR A 45 20.195 25.255 -7.531 1.00 0.00 H new ATOM 0 HG22 THR A 45 19.996 26.884 -6.843 1.00 0.00 H new ATOM 0 HG23 THR A 45 20.526 25.539 -5.806 1.00 0.00 H new ATOM 734 N VAL A 46 18.817 28.561 -5.037 1.00 0.00 N ATOM 735 CA VAL A 46 18.823 29.984 -5.352 1.00 0.00 C ATOM 736 C VAL A 46 19.371 30.261 -6.752 1.00 0.00 C ATOM 737 O VAL A 46 20.116 29.454 -7.305 1.00 0.00 O ATOM 738 CB VAL A 46 19.566 30.777 -4.271 1.00 0.00 C ATOM 739 CG1 VAL A 46 21.080 30.654 -4.454 1.00 0.00 C ATOM 740 CG2 VAL A 46 19.162 32.253 -4.339 1.00 0.00 C ATOM 0 H VAL A 46 19.647 28.243 -4.537 1.00 0.00 H new ATOM 0 HA VAL A 46 17.788 30.327 -5.359 1.00 0.00 H new ATOM 0 HB VAL A 46 19.296 30.367 -3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 46 21.588 31.224 -3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 46 21.371 29.606 -4.384 1.00 0.00 H new ATOM 0 HG13 VAL A 46 21.361 31.044 -5.432 1.00 0.00 H new ATOM 0 HG21 VAL A 46 19.693 32.812 -3.568 1.00 0.00 H new ATOM 0 HG22 VAL A 46 19.417 32.655 -5.319 1.00 0.00 H new ATOM 0 HG23 VAL A 46 18.088 32.344 -4.178 1.00 0.00 H new ATOM 750 N HIS A 47 19.002 31.408 -7.322 1.00 0.00 N ATOM 751 CA HIS A 47 19.506 31.861 -8.609 1.00 0.00 C ATOM 752 C HIS A 47 19.868 33.342 -8.533 1.00 0.00 C ATOM 753 O HIS A 47 19.330 34.161 -9.274 1.00 0.00 O ATOM 754 CB HIS A 47 18.491 31.527 -9.704 1.00 0.00 C ATOM 755 CG HIS A 47 18.535 30.074 -10.094 1.00 0.00 C ATOM 756 ND1 HIS A 47 19.417 29.499 -10.990 1.00 0.00 N ATOM 757 CD2 HIS A 47 17.710 29.084 -9.630 1.00 0.00 C ATOM 758 CE1 HIS A 47 19.136 28.186 -11.067 1.00 0.00 C ATOM 759 NE2 HIS A 47 18.101 27.911 -10.249 1.00 0.00 N ATOM 0 H HIS A 47 18.337 32.053 -6.895 1.00 0.00 H new ATOM 0 HA HIS A 47 20.426 31.337 -8.870 1.00 0.00 H new ATOM 0 HB2 HIS A 47 17.489 31.778 -9.357 1.00 0.00 H new ATOM 0 HB3 HIS A 47 18.689 32.143 -10.581 1.00 0.00 H new ATOM 0 HD1 HIS A 47 20.152 29.985 -11.503 1.00 0.00 H new ATOM 0 HD2 HIS A 47 16.907 29.198 -8.917 1.00 0.00 H new ATOM 0 HE1 HIS A 47 19.656 27.468 -11.684 1.00 0.00 H new ATOM 768 N THR A 48 20.792 33.680 -7.625 1.00 0.00 N ATOM 769 CA THR A 48 21.282 35.046 -7.459 1.00 0.00 C ATOM 770 C THR A 48 21.942 35.644 -8.702 1.00 0.00 C ATOM 771 O THR A 48 22.226 36.841 -8.749 1.00 0.00 O ATOM 772 CB THR A 48 22.163 35.195 -6.212 1.00 0.00 C ATOM 773 OG1 THR A 48 23.499 34.885 -6.540 1.00 0.00 O ATOM 774 CG2 THR A 48 21.714 34.298 -5.057 1.00 0.00 C ATOM 0 H THR A 48 21.219 33.010 -6.986 1.00 0.00 H new ATOM 0 HA THR A 48 20.384 35.645 -7.307 1.00 0.00 H new ATOM 0 HB THR A 48 22.072 36.229 -5.880 1.00 0.00 H new ATOM 0 HG1 THR A 48 24.062 34.982 -5.744 1.00 0.00 H new ATOM 0 HG21 THR A 48 22.375 34.447 -4.203 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.693 34.553 -4.774 1.00 0.00 H new ATOM 0 HG23 THR A 48 21.755 33.255 -5.370 1.00 0.00 H new ATOM 782 N GLU A 49 22.180 34.804 -9.712 1.00 0.00 N ATOM 783 CA GLU A 49 22.668 35.227 -11.018 1.00 0.00 C ATOM 784 C GLU A 49 21.588 36.023 -11.760 1.00 0.00 C ATOM 785 O GLU A 49 21.862 36.624 -12.795 1.00 0.00 O ATOM 786 CB GLU A 49 23.072 33.979 -11.814 1.00 0.00 C ATOM 787 CG GLU A 49 21.866 33.059 -12.039 1.00 0.00 C ATOM 788 CD GLU A 49 22.264 31.671 -12.534 1.00 0.00 C ATOM 789 OE1 GLU A 49 21.372 30.791 -12.527 1.00 0.00 O ATOM 790 OE2 GLU A 49 23.441 31.490 -12.915 1.00 0.00 O ATOM 0 H GLU A 49 22.036 33.797 -9.640 1.00 0.00 H new ATOM 0 HA GLU A 49 23.534 35.879 -10.899 1.00 0.00 H new ATOM 0 HB2 GLU A 49 23.492 34.276 -12.775 1.00 0.00 H new ATOM 0 HB3 GLU A 49 23.852 33.438 -11.279 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.310 32.961 -11.106 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.194 33.519 -12.764 1.00 0.00 H new ATOM 797 N VAL A 50 20.363 36.021 -11.223 1.00 0.00 N ATOM 798 CA VAL A 50 19.224 36.755 -11.760 1.00 0.00 C ATOM 799 C VAL A 50 18.852 37.940 -10.869 1.00 0.00 C ATOM 800 O VAL A 50 19.022 37.878 -9.651 1.00 0.00 O ATOM 801 CB VAL A 50 18.019 35.830 -11.960 1.00 0.00 C ATOM 802 CG1 VAL A 50 16.914 36.530 -12.753 1.00 0.00 C ATOM 803 CG2 VAL A 50 18.404 34.541 -12.681 1.00 0.00 C ATOM 0 H VAL A 50 20.136 35.493 -10.380 1.00 0.00 H new ATOM 0 HA VAL A 50 19.518 37.149 -12.733 1.00 0.00 H new ATOM 0 HB VAL A 50 17.653 35.579 -10.964 1.00 0.00 H new ATOM 0 HG11 VAL A 50 16.071 35.851 -12.880 1.00 0.00 H new ATOM 0 HG12 VAL A 50 16.586 37.418 -12.213 1.00 0.00 H new ATOM 0 HG13 VAL A 50 17.297 36.821 -13.731 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.521 33.914 -12.802 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.816 34.781 -13.661 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.151 34.006 -12.095 1.00 0.00 H new ATOM 813 N GLN A 51 18.338 39.010 -11.476 1.00 0.00 N ATOM 814 CA GLN A 51 17.842 40.169 -10.754 1.00 0.00 C ATOM 815 C GLN A 51 16.604 40.699 -11.470 1.00 0.00 C ATOM 816 O GLN A 51 16.653 41.011 -12.659 1.00 0.00 O ATOM 817 CB GLN A 51 18.919 41.252 -10.657 1.00 0.00 C ATOM 818 CG GLN A 51 20.158 40.752 -9.905 1.00 0.00 C ATOM 819 CD GLN A 51 21.191 41.854 -9.705 1.00 0.00 C ATOM 820 OE1 GLN A 51 21.003 42.995 -10.122 1.00 0.00 O ATOM 821 NE2 GLN A 51 22.306 41.520 -9.060 1.00 0.00 N ATOM 0 H GLN A 51 18.256 39.092 -12.489 1.00 0.00 H new ATOM 0 HA GLN A 51 17.579 39.879 -9.737 1.00 0.00 H new ATOM 0 HB2 GLN A 51 19.205 41.571 -11.659 1.00 0.00 H new ATOM 0 HB3 GLN A 51 18.512 42.126 -10.148 1.00 0.00 H new ATOM 0 HG2 GLN A 51 19.858 40.357 -8.935 1.00 0.00 H new ATOM 0 HG3 GLN A 51 20.610 39.929 -10.458 1.00 0.00 H new ATOM 0 HE21 GLN A 51 22.435 40.565 -8.725 1.00 0.00 H new ATOM 0 HE22 GLN A 51 23.032 42.219 -8.901 1.00 0.00 H new ATOM 830 N SER A 52 15.494 40.801 -10.741 1.00 0.00 N ATOM 831 CA SER A 52 14.239 41.286 -11.292 1.00 0.00 C ATOM 832 C SER A 52 14.253 42.803 -11.447 1.00 0.00 C ATOM 833 O SER A 52 15.182 43.476 -10.998 1.00 0.00 O ATOM 834 CB SER A 52 13.095 40.886 -10.366 1.00 0.00 C ATOM 835 OG SER A 52 13.197 41.618 -9.162 1.00 0.00 O ATOM 0 H SER A 52 15.444 40.549 -9.754 1.00 0.00 H new ATOM 0 HA SER A 52 14.103 40.841 -12.278 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.136 41.083 -10.846 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.134 39.816 -10.160 1.00 0.00 H new ATOM 0 HG SER A 52 12.373 41.511 -8.643 1.00 0.00 H new ATOM 841 N SER A 53 13.210 43.337 -12.084 1.00 0.00 N ATOM 842 CA SER A 53 13.007 44.774 -12.225 1.00 0.00 C ATOM 843 C SER A 53 12.474 45.368 -10.918 1.00 0.00 C ATOM 844 O SER A 53 12.154 46.554 -10.861 1.00 0.00 O ATOM 845 CB SER A 53 12.041 45.037 -13.379 1.00 0.00 C ATOM 846 OG SER A 53 10.783 44.460 -13.100 1.00 0.00 O ATOM 0 H SER A 53 12.477 42.777 -12.519 1.00 0.00 H new ATOM 0 HA SER A 53 13.960 45.256 -12.446 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.931 46.110 -13.534 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.444 44.621 -14.303 1.00 0.00 H new ATOM 0 HG SER A 53 10.170 44.635 -13.845 1.00 0.00 H new ATOM 852 N PHE A 54 12.379 44.543 -9.871 1.00 0.00 N ATOM 853 CA PHE A 54 11.856 44.930 -8.572 1.00 0.00 C ATOM 854 C PHE A 54 12.758 44.694 -7.358 1.00 0.00 C ATOM 855 O PHE A 54 12.305 44.797 -6.218 1.00 0.00 O ATOM 856 CB PHE A 54 10.400 44.498 -8.392 1.00 0.00 C ATOM 857 CG PHE A 54 10.092 43.118 -8.925 1.00 0.00 C ATOM 858 CD1 PHE A 54 10.388 41.987 -8.154 1.00 0.00 C ATOM 859 CD2 PHE A 54 9.510 42.966 -10.193 1.00 0.00 C ATOM 860 CE1 PHE A 54 10.094 40.706 -8.643 1.00 0.00 C ATOM 861 CE2 PHE A 54 9.220 41.685 -10.683 1.00 0.00 C ATOM 862 CZ PHE A 54 9.511 40.555 -9.908 1.00 0.00 C ATOM 0 H PHE A 54 12.672 43.567 -9.911 1.00 0.00 H new ATOM 0 HA PHE A 54 11.860 46.020 -8.598 1.00 0.00 H new ATOM 0 HB2 PHE A 54 10.152 44.529 -7.331 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.754 45.220 -8.891 1.00 0.00 H new ATOM 0 HD1 PHE A 54 10.843 42.102 -7.181 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.285 43.836 -10.792 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.317 39.835 -8.044 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.772 41.569 -11.659 1.00 0.00 H new ATOM 0 HZ PHE A 54 9.286 39.568 -10.285 1.00 0.00 H new ATOM 872 N GLY A 55 14.036 44.376 -7.591 1.00 0.00 N ATOM 873 CA GLY A 55 15.000 44.203 -6.514 1.00 0.00 C ATOM 874 C GLY A 55 14.836 42.860 -5.807 1.00 0.00 C ATOM 875 O GLY A 55 14.958 42.793 -4.586 1.00 0.00 O ATOM 0 H GLY A 55 14.422 44.234 -8.524 1.00 0.00 H new ATOM 0 HA2 GLY A 55 16.010 44.279 -6.916 1.00 0.00 H new ATOM 0 HA3 GLY A 55 14.883 45.010 -5.790 1.00 0.00 H new ATOM 879 N ALA A 56 14.559 41.791 -6.565 1.00 0.00 N ATOM 880 CA ALA A 56 14.361 40.463 -6.007 1.00 0.00 C ATOM 881 C ALA A 56 15.172 39.406 -6.751 1.00 0.00 C ATOM 882 O ALA A 56 15.656 39.641 -7.860 1.00 0.00 O ATOM 883 CB ALA A 56 12.869 40.134 -6.025 1.00 0.00 C ATOM 0 H ALA A 56 14.468 41.831 -7.580 1.00 0.00 H new ATOM 0 HA ALA A 56 14.721 40.457 -4.978 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.711 39.139 -5.608 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.327 40.868 -5.428 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.503 40.160 -7.051 1.00 0.00 H new ATOM 889 N THR A 57 15.315 38.235 -6.127 1.00 0.00 N ATOM 890 CA THR A 57 16.078 37.111 -6.651 1.00 0.00 C ATOM 891 C THR A 57 15.110 35.929 -6.659 1.00 0.00 C ATOM 892 O THR A 57 14.424 35.689 -5.664 1.00 0.00 O ATOM 893 CB THR A 57 17.248 36.842 -5.700 1.00 0.00 C ATOM 894 OG1 THR A 57 18.272 37.781 -5.946 1.00 0.00 O ATOM 895 CG2 THR A 57 17.819 35.439 -5.895 1.00 0.00 C ATOM 0 H THR A 57 14.890 38.042 -5.220 1.00 0.00 H new ATOM 0 HA THR A 57 16.480 37.292 -7.648 1.00 0.00 H new ATOM 0 HB THR A 57 16.877 36.928 -4.679 1.00 0.00 H new ATOM 0 HG1 THR A 57 19.022 37.614 -5.338 1.00 0.00 H new ATOM 0 HG21 THR A 57 18.647 35.284 -5.204 1.00 0.00 H new ATOM 0 HG22 THR A 57 17.042 34.700 -5.702 1.00 0.00 H new ATOM 0 HG23 THR A 57 18.176 35.331 -6.919 1.00 0.00 H new ATOM 903 N PRO A 58 15.040 35.177 -7.766 1.00 0.00 N ATOM 904 CA PRO A 58 14.170 34.023 -7.899 1.00 0.00 C ATOM 905 C PRO A 58 14.795 32.785 -7.262 1.00 0.00 C ATOM 906 O PRO A 58 16.018 32.699 -7.112 1.00 0.00 O ATOM 907 CB PRO A 58 14.012 33.834 -9.405 1.00 0.00 C ATOM 908 CG PRO A 58 15.376 34.274 -9.936 1.00 0.00 C ATOM 909 CD PRO A 58 15.789 35.399 -8.986 1.00 0.00 C ATOM 0 HA PRO A 58 13.215 34.171 -7.395 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.790 32.799 -9.663 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.203 34.443 -9.808 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.094 33.454 -9.922 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.311 34.624 -10.966 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.862 35.377 -8.796 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.561 36.376 -9.413 1.00 0.00 H new ATOM 917 N VAL A 59 13.953 31.824 -6.896 1.00 0.00 N ATOM 918 CA VAL A 59 14.369 30.537 -6.345 1.00 0.00 C ATOM 919 C VAL A 59 13.577 29.368 -6.923 1.00 0.00 C ATOM 920 O VAL A 59 12.471 29.555 -7.426 1.00 0.00 O ATOM 921 CB VAL A 59 14.396 30.535 -4.805 1.00 0.00 C ATOM 922 CG1 VAL A 59 14.802 31.889 -4.220 1.00 0.00 C ATOM 923 CG2 VAL A 59 13.030 30.161 -4.231 1.00 0.00 C ATOM 0 H VAL A 59 12.941 31.919 -6.975 1.00 0.00 H new ATOM 0 HA VAL A 59 15.400 30.388 -6.665 1.00 0.00 H new ATOM 0 HB VAL A 59 15.143 29.793 -4.525 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.804 31.829 -3.132 1.00 0.00 H new ATOM 0 HG12 VAL A 59 15.800 32.152 -4.571 1.00 0.00 H new ATOM 0 HG13 VAL A 59 14.092 32.651 -4.540 1.00 0.00 H new ATOM 0 HG21 VAL A 59 13.079 30.168 -3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 59 12.285 30.883 -4.565 1.00 0.00 H new ATOM 0 HG23 VAL A 59 12.751 29.165 -4.576 1.00 0.00 H new ATOM 933 N GLU A 60 14.146 28.166 -6.844 1.00 0.00 N ATOM 934 CA GLU A 60 13.536 26.937 -7.327 1.00 0.00 C ATOM 935 C GLU A 60 13.278 25.986 -6.162 1.00 0.00 C ATOM 936 O GLU A 60 14.017 25.994 -5.178 1.00 0.00 O ATOM 937 CB GLU A 60 14.462 26.279 -8.355 1.00 0.00 C ATOM 938 CG GLU A 60 14.579 27.099 -9.642 1.00 0.00 C ATOM 939 CD GLU A 60 13.353 26.970 -10.542 1.00 0.00 C ATOM 940 OE1 GLU A 60 13.213 27.833 -11.436 1.00 0.00 O ATOM 941 OE2 GLU A 60 12.566 26.018 -10.338 1.00 0.00 O ATOM 0 H GLU A 60 15.067 28.021 -6.431 1.00 0.00 H new ATOM 0 HA GLU A 60 12.582 27.169 -7.801 1.00 0.00 H new ATOM 0 HB2 GLU A 60 15.452 26.150 -7.918 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.087 25.284 -8.594 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.727 28.148 -9.386 1.00 0.00 H new ATOM 0 HG3 GLU A 60 15.463 26.778 -10.193 1.00 0.00 H new ATOM 948 N ILE A 61 12.229 25.166 -6.274 1.00 0.00 N ATOM 949 CA ILE A 61 11.903 24.146 -5.288 1.00 0.00 C ATOM 950 C ILE A 61 11.535 22.865 -6.028 1.00 0.00 C ATOM 951 O ILE A 61 10.927 22.926 -7.098 1.00 0.00 O ATOM 952 CB ILE A 61 10.752 24.613 -4.383 1.00 0.00 C ATOM 953 CG1 ILE A 61 11.044 26.002 -3.801 1.00 0.00 C ATOM 954 CG2 ILE A 61 10.479 23.577 -3.288 1.00 0.00 C ATOM 955 CD1 ILE A 61 9.902 26.514 -2.924 1.00 0.00 C ATOM 0 H ILE A 61 11.580 25.196 -7.060 1.00 0.00 H new ATOM 0 HA ILE A 61 12.763 23.962 -4.644 1.00 0.00 H new ATOM 0 HB ILE A 61 9.847 24.702 -4.984 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.961 25.962 -3.213 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.218 26.706 -4.615 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.661 23.923 -2.656 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.206 22.626 -3.746 1.00 0.00 H new ATOM 0 HG23 ILE A 61 11.375 23.444 -2.682 1.00 0.00 H new ATOM 0 HD11 ILE A 61 10.156 27.500 -2.535 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.990 26.581 -3.517 1.00 0.00 H new ATOM 0 HD13 ILE A 61 9.745 25.826 -2.093 1.00 0.00 H new ATOM 967 N VAL A 62 11.899 21.712 -5.465 1.00 0.00 N ATOM 968 CA VAL A 62 11.620 20.409 -6.057 1.00 0.00 C ATOM 969 C VAL A 62 11.148 19.429 -4.987 1.00 0.00 C ATOM 970 O VAL A 62 11.624 19.482 -3.852 1.00 0.00 O ATOM 971 CB VAL A 62 12.867 19.886 -6.783 1.00 0.00 C ATOM 972 CG1 VAL A 62 12.593 18.531 -7.438 1.00 0.00 C ATOM 973 CG2 VAL A 62 13.327 20.863 -7.867 1.00 0.00 C ATOM 0 H VAL A 62 12.400 21.659 -4.578 1.00 0.00 H new ATOM 0 HA VAL A 62 10.819 20.512 -6.789 1.00 0.00 H new ATOM 0 HB VAL A 62 13.649 19.780 -6.032 1.00 0.00 H new ATOM 0 HG11 VAL A 62 13.493 18.184 -7.945 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.306 17.809 -6.674 1.00 0.00 H new ATOM 0 HG13 VAL A 62 11.785 18.634 -8.162 1.00 0.00 H new ATOM 0 HG21 VAL A 62 14.212 20.465 -8.364 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.530 20.997 -8.598 1.00 0.00 H new ATOM 0 HG23 VAL A 62 13.567 21.824 -7.412 1.00 0.00 H new ATOM 983 N ALA A 63 10.216 18.543 -5.343 1.00 0.00 N ATOM 984 CA ALA A 63 9.668 17.562 -4.416 1.00 0.00 C ATOM 985 C ALA A 63 9.040 16.398 -5.179 1.00 0.00 C ATOM 986 O ALA A 63 8.862 16.469 -6.394 1.00 0.00 O ATOM 987 CB ALA A 63 8.605 18.235 -3.555 1.00 0.00 C ATOM 0 H ALA A 63 9.823 18.489 -6.283 1.00 0.00 H new ATOM 0 HA ALA A 63 10.471 17.175 -3.789 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.188 17.509 -2.857 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.055 19.057 -2.998 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.811 18.622 -4.194 1.00 0.00 H new ATOM 993 N GLN A 64 8.698 15.323 -4.465 1.00 0.00 N ATOM 994 CA GLN A 64 8.027 14.183 -5.064 1.00 0.00 C ATOM 995 C GLN A 64 6.542 14.478 -5.303 1.00 0.00 C ATOM 996 O GLN A 64 5.903 13.809 -6.115 1.00 0.00 O ATOM 997 CB GLN A 64 8.226 12.968 -4.148 1.00 0.00 C ATOM 998 CG GLN A 64 7.422 11.754 -4.625 1.00 0.00 C ATOM 999 CD GLN A 64 7.823 10.475 -3.902 1.00 0.00 C ATOM 1000 OE1 GLN A 64 8.903 10.379 -3.322 1.00 0.00 O ATOM 1001 NE2 GLN A 64 6.958 9.465 -3.930 1.00 0.00 N ATOM 0 H GLN A 64 8.879 15.225 -3.466 1.00 0.00 H new ATOM 0 HA GLN A 64 8.459 13.970 -6.042 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.285 12.711 -4.111 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.925 13.226 -3.133 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.360 11.940 -4.467 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.567 11.623 -5.697 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.068 9.569 -4.418 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.184 8.587 -3.464 1.00 0.00 H new ATOM 1010 N ASN A 65 5.983 15.470 -4.603 1.00 0.00 N ATOM 1011 CA ASN A 65 4.576 15.826 -4.727 1.00 0.00 C ATOM 1012 C ASN A 65 4.330 17.273 -4.293 1.00 0.00 C ATOM 1013 O ASN A 65 5.172 17.881 -3.629 1.00 0.00 O ATOM 1014 CB ASN A 65 3.735 14.844 -3.902 1.00 0.00 C ATOM 1015 CG ASN A 65 4.175 14.785 -2.447 1.00 0.00 C ATOM 1016 OD1 ASN A 65 4.322 15.811 -1.789 1.00 0.00 O ATOM 1017 ND2 ASN A 65 4.392 13.584 -1.924 1.00 0.00 N ATOM 0 H ASN A 65 6.497 16.045 -3.936 1.00 0.00 H new ATOM 0 HA ASN A 65 4.279 15.756 -5.774 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.687 15.138 -3.950 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.808 13.849 -4.341 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.689 13.497 -0.952 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.262 12.748 -2.494 1.00 0.00 H new ATOM 1024 N LYS A 66 3.175 17.836 -4.667 1.00 0.00 N ATOM 1025 CA LYS A 66 2.824 19.208 -4.328 1.00 0.00 C ATOM 1026 C LYS A 66 2.453 19.350 -2.856 1.00 0.00 C ATOM 1027 O LYS A 66 2.554 20.443 -2.303 1.00 0.00 O ATOM 1028 CB LYS A 66 1.663 19.676 -5.206 1.00 0.00 C ATOM 1029 CG LYS A 66 2.090 19.745 -6.674 1.00 0.00 C ATOM 1030 CD LYS A 66 0.918 20.209 -7.535 1.00 0.00 C ATOM 1031 CE LYS A 66 1.352 20.273 -8.999 1.00 0.00 C ATOM 1032 NZ LYS A 66 0.248 20.724 -9.869 1.00 0.00 N ATOM 0 H LYS A 66 2.463 17.349 -5.212 1.00 0.00 H new ATOM 0 HA LYS A 66 3.699 19.832 -4.510 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.821 18.993 -5.099 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.322 20.657 -4.875 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.929 20.432 -6.786 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.433 18.766 -7.008 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.078 19.523 -7.424 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.576 21.189 -7.203 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.198 20.953 -9.100 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.693 19.290 -9.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.575 20.757 -10.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.549 20.061 -9.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.060 21.673 -9.575 1.00 0.00 H new ATOM 1046 N GLU A 67 2.028 18.257 -2.218 1.00 0.00 N ATOM 1047 CA GLU A 67 1.649 18.252 -0.811 1.00 0.00 C ATOM 1048 C GLU A 67 2.852 18.495 0.103 1.00 0.00 C ATOM 1049 O GLU A 67 2.683 18.609 1.318 1.00 0.00 O ATOM 1050 CB GLU A 67 0.946 16.934 -0.454 1.00 0.00 C ATOM 1051 CG GLU A 67 -0.452 16.842 -1.080 1.00 0.00 C ATOM 1052 CD GLU A 67 -0.452 16.443 -2.558 1.00 0.00 C ATOM 1053 OE1 GLU A 67 -1.552 16.469 -3.155 1.00 0.00 O ATOM 1054 OE2 GLU A 67 0.633 16.114 -3.089 1.00 0.00 O ATOM 0 H GLU A 67 1.938 17.347 -2.670 1.00 0.00 H new ATOM 0 HA GLU A 67 0.953 19.075 -0.650 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.552 16.095 -0.796 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.865 16.848 0.630 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.042 16.117 -0.519 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.949 17.806 -0.975 1.00 0.00 H new ATOM 1061 N GLN A 68 4.057 18.575 -0.472 1.00 0.00 N ATOM 1062 CA GLN A 68 5.265 18.893 0.268 1.00 0.00 C ATOM 1063 C GLN A 68 6.005 20.063 -0.378 1.00 0.00 C ATOM 1064 O GLN A 68 6.706 20.800 0.313 1.00 0.00 O ATOM 1065 CB GLN A 68 6.170 17.658 0.332 1.00 0.00 C ATOM 1066 CG GLN A 68 5.504 16.509 1.094 1.00 0.00 C ATOM 1067 CD GLN A 68 6.239 15.191 0.882 1.00 0.00 C ATOM 1068 OE1 GLN A 68 5.616 14.141 0.735 1.00 0.00 O ATOM 1069 NE2 GLN A 68 7.569 15.217 0.864 1.00 0.00 N ATOM 0 H GLN A 68 4.213 18.419 -1.468 1.00 0.00 H new ATOM 0 HA GLN A 68 4.989 19.187 1.280 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.413 17.332 -0.679 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.110 17.920 0.817 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.479 16.744 2.158 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.470 16.406 0.766 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.064 16.100 0.988 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.094 14.354 0.726 1.00 0.00 H new ATOM 1078 N CYS A 69 5.863 20.245 -1.697 1.00 0.00 N ATOM 1079 CA CYS A 69 6.556 21.318 -2.393 1.00 0.00 C ATOM 1080 C CYS A 69 5.968 22.659 -1.955 1.00 0.00 C ATOM 1081 O CYS A 69 6.698 23.640 -1.808 1.00 0.00 O ATOM 1082 CB CYS A 69 6.359 21.118 -3.897 1.00 0.00 C ATOM 1083 SG CYS A 69 7.585 22.097 -4.803 1.00 0.00 S ATOM 0 H CYS A 69 5.276 19.663 -2.294 1.00 0.00 H new ATOM 0 HA CYS A 69 7.620 21.308 -2.159 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.461 20.063 -4.151 1.00 0.00 H new ATOM 0 HB3 CYS A 69 5.352 21.419 -4.186 1.00 0.00 H new ATOM 0 HG CYS A 69 7.419 21.925 -6.081 1.00 0.00 H new ATOM 1089 N GLN A 70 4.648 22.712 -1.737 1.00 0.00 N ATOM 1090 CA GLN A 70 3.981 23.933 -1.303 1.00 0.00 C ATOM 1091 C GLN A 70 4.354 24.271 0.139 1.00 0.00 C ATOM 1092 O GLN A 70 4.420 25.443 0.503 1.00 0.00 O ATOM 1093 CB GLN A 70 2.464 23.761 -1.417 1.00 0.00 C ATOM 1094 CG GLN A 70 2.013 23.564 -2.869 1.00 0.00 C ATOM 1095 CD GLN A 70 2.177 24.822 -3.717 1.00 0.00 C ATOM 1096 OE1 GLN A 70 2.490 25.897 -3.217 1.00 0.00 O ATOM 1097 NE2 GLN A 70 1.968 24.688 -5.024 1.00 0.00 N ATOM 0 H GLN A 70 4.023 21.915 -1.857 1.00 0.00 H new ATOM 0 HA GLN A 70 4.306 24.752 -1.945 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.151 22.904 -0.821 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.968 24.637 -1.000 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.588 22.753 -3.316 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.967 23.257 -2.881 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.709 23.780 -5.409 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.067 25.494 -5.642 1.00 0.00 H new ATOM 1106 N GLU A 71 4.605 23.252 0.967 1.00 0.00 N ATOM 1107 CA GLU A 71 4.973 23.474 2.356 1.00 0.00 C ATOM 1108 C GLU A 71 6.394 24.021 2.431 1.00 0.00 C ATOM 1109 O GLU A 71 6.710 24.806 3.326 1.00 0.00 O ATOM 1110 CB GLU A 71 4.871 22.158 3.133 1.00 0.00 C ATOM 1111 CG GLU A 71 3.474 21.536 3.038 1.00 0.00 C ATOM 1112 CD GLU A 71 2.379 22.405 3.657 1.00 0.00 C ATOM 1113 OE1 GLU A 71 1.191 22.082 3.418 1.00 0.00 O ATOM 1114 OE2 GLU A 71 2.720 23.381 4.361 1.00 0.00 O ATOM 0 H GLU A 71 4.558 22.270 0.694 1.00 0.00 H new ATOM 0 HA GLU A 71 4.292 24.200 2.800 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.608 21.453 2.748 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.117 22.336 4.180 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.235 21.356 1.990 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.482 20.566 3.535 1.00 0.00 H new ATOM 1121 N ALA A 72 7.255 23.615 1.494 1.00 0.00 N ATOM 1122 CA ALA A 72 8.623 24.104 1.427 1.00 0.00 C ATOM 1123 C ALA A 72 8.679 25.501 0.801 1.00 0.00 C ATOM 1124 O ALA A 72 9.668 26.209 0.972 1.00 0.00 O ATOM 1125 CB ALA A 72 9.456 23.107 0.624 1.00 0.00 C ATOM 0 H ALA A 72 7.019 22.941 0.766 1.00 0.00 H new ATOM 0 HA ALA A 72 9.030 24.191 2.434 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.486 23.459 0.564 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.433 22.134 1.115 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.045 23.015 -0.381 1.00 0.00 H new ATOM 1131 N ARG A 73 7.626 25.903 0.076 1.00 0.00 N ATOM 1132 CA ARG A 73 7.545 27.240 -0.497 1.00 0.00 C ATOM 1133 C ARG A 73 7.035 28.235 0.538 1.00 0.00 C ATOM 1134 O ARG A 73 7.625 29.296 0.731 1.00 0.00 O ATOM 1135 CB ARG A 73 6.592 27.215 -1.697 1.00 0.00 C ATOM 1136 CG ARG A 73 6.480 28.596 -2.342 1.00 0.00 C ATOM 1137 CD ARG A 73 5.216 28.679 -3.190 1.00 0.00 C ATOM 1138 NE ARG A 73 5.107 29.979 -3.865 1.00 0.00 N ATOM 1139 CZ ARG A 73 4.505 31.046 -3.335 1.00 0.00 C ATOM 1140 NH1 ARG A 73 3.981 30.983 -2.114 1.00 0.00 N ATOM 1141 NH2 ARG A 73 4.425 32.178 -4.026 1.00 0.00 N ATOM 0 H ARG A 73 6.818 25.313 -0.124 1.00 0.00 H new ATOM 0 HA ARG A 73 8.540 27.550 -0.817 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.949 26.495 -2.433 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.606 26.880 -1.375 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.460 29.366 -1.570 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.356 28.788 -2.962 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.221 27.881 -3.933 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.342 28.521 -2.559 1.00 0.00 H new ATOM 0 HE ARG A 73 5.516 30.072 -4.795 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.038 30.117 -1.579 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.522 31.801 -1.713 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.824 32.233 -4.963 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.965 32.992 -3.619 1.00 0.00 H new ATOM 1155 N ASN A 74 5.930 27.889 1.202 1.00 0.00 N ATOM 1156 CA ASN A 74 5.258 28.791 2.121 1.00 0.00 C ATOM 1157 C ASN A 74 6.021 28.938 3.436 1.00 0.00 C ATOM 1158 O ASN A 74 5.751 29.859 4.203 1.00 0.00 O ATOM 1159 CB ASN A 74 3.826 28.294 2.322 1.00 0.00 C ATOM 1160 CG ASN A 74 3.041 28.358 1.017 1.00 0.00 C ATOM 1161 OD1 ASN A 74 3.178 29.308 0.250 1.00 0.00 O ATOM 1162 ND2 ASN A 74 2.212 27.354 0.751 1.00 0.00 N ATOM 0 H ASN A 74 5.482 26.977 1.114 1.00 0.00 H new ATOM 0 HA ASN A 74 5.228 29.794 1.696 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.841 27.269 2.692 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.329 28.900 3.080 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.667 27.358 -0.111 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.121 26.580 1.409 1.00 0.00 H new ATOM 1169 N ALA A 75 6.973 28.038 3.700 1.00 0.00 N ATOM 1170 CA ALA A 75 7.864 28.164 4.843 1.00 0.00 C ATOM 1171 C ALA A 75 8.939 29.227 4.579 1.00 0.00 C ATOM 1172 O ALA A 75 9.739 29.528 5.463 1.00 0.00 O ATOM 1173 CB ALA A 75 8.506 26.805 5.121 1.00 0.00 C ATOM 0 H ALA A 75 7.142 27.210 3.129 1.00 0.00 H new ATOM 0 HA ALA A 75 7.293 28.482 5.715 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.176 26.887 5.976 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.728 26.073 5.339 1.00 0.00 H new ATOM 0 HB3 ALA A 75 9.072 26.484 4.246 1.00 0.00 H new ATOM 1179 N VAL A 76 8.957 29.794 3.366 1.00 0.00 N ATOM 1180 CA VAL A 76 9.945 30.783 2.953 1.00 0.00 C ATOM 1181 C VAL A 76 9.316 32.146 2.645 1.00 0.00 C ATOM 1182 O VAL A 76 10.031 33.124 2.447 1.00 0.00 O ATOM 1183 CB VAL A 76 10.769 30.233 1.773 1.00 0.00 C ATOM 1184 CG1 VAL A 76 11.951 31.135 1.423 1.00 0.00 C ATOM 1185 CG2 VAL A 76 11.327 28.854 2.124 1.00 0.00 C ATOM 0 H VAL A 76 8.276 29.572 2.640 1.00 0.00 H new ATOM 0 HA VAL A 76 10.622 30.961 3.789 1.00 0.00 H new ATOM 0 HB VAL A 76 10.095 30.182 0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.501 30.705 0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.585 32.124 1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.612 31.220 2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.908 28.472 1.285 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.967 28.933 3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.504 28.172 2.336 1.00 0.00 H new ATOM 1195 N MET A 77 7.983 32.231 2.601 1.00 0.00 N ATOM 1196 CA MET A 77 7.310 33.471 2.241 1.00 0.00 C ATOM 1197 C MET A 77 7.190 34.456 3.402 1.00 0.00 C ATOM 1198 O MET A 77 7.050 35.653 3.164 1.00 0.00 O ATOM 1199 CB MET A 77 5.914 33.150 1.703 1.00 0.00 C ATOM 1200 CG MET A 77 5.947 32.348 0.402 1.00 0.00 C ATOM 1201 SD MET A 77 6.686 33.218 -1.005 1.00 0.00 S ATOM 1202 CE MET A 77 8.368 32.556 -0.919 1.00 0.00 C ATOM 0 H MET A 77 7.355 31.455 2.810 1.00 0.00 H new ATOM 0 HA MET A 77 7.923 33.954 1.480 1.00 0.00 H new ATOM 0 HB2 MET A 77 5.360 32.589 2.456 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.372 34.081 1.536 1.00 0.00 H new ATOM 0 HG2 MET A 77 6.502 31.426 0.574 1.00 0.00 H new ATOM 0 HG3 MET A 77 4.928 32.063 0.141 1.00 0.00 H new ATOM 0 HE1 MET A 77 9.082 33.379 -0.898 1.00 0.00 H new ATOM 0 HE2 MET A 77 8.478 31.957 -0.015 1.00 0.00 H new ATOM 0 HE3 MET A 77 8.559 31.932 -1.792 1.00 0.00 H new ATOM 1212 N SER A 78 7.242 33.972 4.649 1.00 0.00 N ATOM 1213 CA SER A 78 7.128 34.839 5.817 1.00 0.00 C ATOM 1214 C SER A 78 7.878 34.291 7.026 1.00 0.00 C ATOM 1215 O SER A 78 8.401 35.068 7.823 1.00 0.00 O ATOM 1216 CB SER A 78 5.652 35.019 6.184 1.00 0.00 C ATOM 1217 OG SER A 78 4.979 35.790 5.213 1.00 0.00 O ATOM 0 H SER A 78 7.362 32.984 4.870 1.00 0.00 H new ATOM 0 HA SER A 78 7.578 35.795 5.551 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.174 34.043 6.273 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.572 35.503 7.157 1.00 0.00 H new ATOM 0 HG SER A 78 5.589 35.987 4.472 1.00 0.00 H new ATOM 1223 N LEU A 79 7.941 32.966 7.172 1.00 0.00 N ATOM 1224 CA LEU A 79 8.668 32.359 8.278 1.00 0.00 C ATOM 1225 C LEU A 79 10.161 32.335 7.975 1.00 0.00 C ATOM 1226 O LEU A 79 10.984 32.507 8.869 1.00 0.00 O ATOM 1227 CB LEU A 79 8.158 30.935 8.509 1.00 0.00 C ATOM 1228 CG LEU A 79 6.640 30.875 8.719 1.00 0.00 C ATOM 1229 CD1 LEU A 79 6.228 29.420 8.950 1.00 0.00 C ATOM 1230 CD2 LEU A 79 6.215 31.704 9.929 1.00 0.00 C ATOM 0 H LEU A 79 7.498 32.299 6.539 1.00 0.00 H new ATOM 0 HA LEU A 79 8.504 32.950 9.179 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.427 30.314 7.654 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.658 30.512 9.380 1.00 0.00 H new ATOM 0 HG LEU A 79 6.154 31.281 7.832 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.150 29.367 9.100 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.503 28.822 8.081 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.737 29.033 9.833 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.134 31.641 10.051 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.704 31.319 10.824 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.503 32.744 9.777 1.00 0.00 H new ATOM 1242 N MET A 80 10.496 32.122 6.696 1.00 0.00 N ATOM 1243 CA MET A 80 11.868 32.062 6.200 1.00 0.00 C ATOM 1244 C MET A 80 12.729 31.092 7.008 1.00 0.00 C ATOM 1245 O MET A 80 13.954 31.189 6.994 1.00 0.00 O ATOM 1246 CB MET A 80 12.460 33.472 6.106 1.00 0.00 C ATOM 1247 CG MET A 80 11.518 34.368 5.301 1.00 0.00 C ATOM 1248 SD MET A 80 12.200 35.984 4.854 1.00 0.00 S ATOM 1249 CE MET A 80 13.234 35.465 3.464 1.00 0.00 C ATOM 0 H MET A 80 9.800 31.984 5.963 1.00 0.00 H new ATOM 0 HA MET A 80 11.855 31.653 5.190 1.00 0.00 H new ATOM 0 HB2 MET A 80 12.606 33.884 7.105 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.440 33.436 5.630 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.234 33.845 4.388 1.00 0.00 H new ATOM 0 HG3 MET A 80 10.606 34.522 5.877 1.00 0.00 H new ATOM 0 HE1 MET A 80 13.268 36.260 2.719 1.00 0.00 H new ATOM 0 HE2 MET A 80 14.243 35.257 3.819 1.00 0.00 H new ATOM 0 HE3 MET A 80 12.815 34.564 3.015 1.00 0.00 H new ATOM 1259 N GLN A 81 12.077 30.160 7.714 1.00 0.00 N ATOM 1260 CA GLN A 81 12.707 29.181 8.588 1.00 0.00 C ATOM 1261 C GLN A 81 13.670 29.850 9.575 1.00 0.00 C ATOM 1262 O GLN A 81 14.676 29.267 9.976 1.00 0.00 O ATOM 1263 CB GLN A 81 13.314 28.057 7.742 1.00 0.00 C ATOM 1264 CG GLN A 81 13.757 26.841 8.567 1.00 0.00 C ATOM 1265 CD GLN A 81 12.626 26.252 9.403 1.00 0.00 C ATOM 1266 OE1 GLN A 81 12.826 25.899 10.562 1.00 0.00 O ATOM 1267 NE2 GLN A 81 11.431 26.138 8.833 1.00 0.00 N ATOM 0 H GLN A 81 11.061 30.069 7.687 1.00 0.00 H new ATOM 0 HA GLN A 81 11.962 28.708 9.228 1.00 0.00 H new ATOM 0 HB2 GLN A 81 12.583 27.736 7.000 1.00 0.00 H new ATOM 0 HB3 GLN A 81 14.172 28.447 7.195 1.00 0.00 H new ATOM 0 HG2 GLN A 81 14.145 26.074 7.896 1.00 0.00 H new ATOM 0 HG3 GLN A 81 14.576 27.133 9.225 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.295 26.440 7.868 1.00 0.00 H new ATOM 0 HE22 GLN A 81 10.650 25.749 9.360 1.00 0.00 H new