USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 826 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 67 GLN : amide:sc= -1.14 X(o=-1,f=-1.2) USER MOD Set 1.2: A 70 SER OG : rot 180:sc= 0.126 USER MOD Set 2.1: A 40 CYS SG : rot 180:sc= 0.33 USER MOD Set 2.2: A 43 TYR OH : rot -104:sc= 0.402 USER MOD Single : A 4 LYS NZ :NH3+ -141:sc= -3.49 (180deg=-5.47!) USER MOD Single : A 7 THR OG1 : rot -155:sc= -0.714 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 17 GLN : amide:sc= -0.59 X(o=-0.59,f=-0.13) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.286 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -1.57 K(o=-1.6,f=-2.6) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -157:sc= -0.678 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00902 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 91:sc= 0.00625 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 120:sc= 1.25 USER MOD Single : A 74 THR OG1 : rot 83:sc= 1.17 USER MOD Single : A 75 ASN : amide:sc= -0.85 K(o=-0.85,f=-1.4) USER MOD Single : A 76 MET CE :methyl -169:sc= -1.93 (180deg=-2.29) USER MOD Single : A 84 SER OG : rot -68:sc= -0.149 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc=-0.00944 USER MOD Single : A 98 ASN : amide:sc= -0.713 X(o=-0.71,f=-0.6) USER MOD Single : A 100 SER OG : rot 180:sc= 0.322 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -137:sc= -2.52 (180deg=-9.94!) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 CYS SG : rot -88:sc= -1.38 USER MOD Single : A 106 SER OG : rot -63:sc= 1.51 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ILE A 3 16.622 6.763 -7.317 1.00 0.00 N ATOM 26 CA ILE A 3 17.553 6.131 -8.243 1.00 0.00 C ATOM 27 C ILE A 3 18.401 5.079 -7.537 1.00 0.00 C ATOM 28 O ILE A 3 18.763 5.237 -6.371 1.00 0.00 O ATOM 29 CB ILE A 3 18.483 7.166 -8.902 1.00 0.00 C ATOM 30 CG1 ILE A 3 17.667 8.335 -9.460 1.00 0.00 C ATOM 31 CG2 ILE A 3 19.306 6.515 -10.003 1.00 0.00 C ATOM 32 CD1 ILE A 3 18.517 9.436 -10.054 1.00 0.00 C ATOM 0 HA ILE A 3 16.952 5.652 -9.016 1.00 0.00 H new ATOM 0 HB ILE A 3 19.166 7.552 -8.145 1.00 0.00 H new ATOM 0 HG12 ILE A 3 16.986 7.960 -10.224 1.00 0.00 H new ATOM 0 HG13 ILE A 3 17.052 8.752 -8.662 1.00 0.00 H new ATOM 0 HG21 ILE A 3 19.958 7.260 -10.459 1.00 0.00 H new ATOM 0 HG22 ILE A 3 19.911 5.714 -9.579 1.00 0.00 H new ATOM 0 HG23 ILE A 3 18.639 6.104 -10.761 1.00 0.00 H new ATOM 0 HD11 ILE A 3 17.872 10.231 -10.430 1.00 0.00 H new ATOM 0 HD12 ILE A 3 19.180 9.838 -9.287 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.112 9.034 -10.874 1.00 0.00 H new ATOM 44 N LYS A 4 18.717 4.004 -8.252 1.00 0.00 N ATOM 45 CA LYS A 4 19.526 2.926 -7.697 1.00 0.00 C ATOM 46 C LYS A 4 20.841 3.463 -7.140 1.00 0.00 C ATOM 47 O LYS A 4 21.410 4.413 -7.675 1.00 0.00 O ATOM 48 CB LYS A 4 19.807 1.868 -8.767 1.00 0.00 C ATOM 49 CG LYS A 4 21.010 2.188 -9.636 1.00 0.00 C ATOM 50 CD LYS A 4 20.784 3.444 -10.461 1.00 0.00 C ATOM 51 CE LYS A 4 19.638 3.265 -11.446 1.00 0.00 C ATOM 52 NZ LYS A 4 19.497 4.439 -12.351 1.00 0.00 N ATOM 0 H LYS A 4 18.425 3.857 -9.218 1.00 0.00 H new ATOM 0 HA LYS A 4 18.966 2.469 -6.881 1.00 0.00 H new ATOM 0 HB2 LYS A 4 19.966 0.905 -8.281 1.00 0.00 H new ATOM 0 HB3 LYS A 4 18.928 1.763 -9.402 1.00 0.00 H new ATOM 0 HG2 LYS A 4 21.890 2.319 -9.006 1.00 0.00 H new ATOM 0 HG3 LYS A 4 21.214 1.348 -10.299 1.00 0.00 H new ATOM 0 HD2 LYS A 4 20.568 4.282 -9.798 1.00 0.00 H new ATOM 0 HD3 LYS A 4 21.696 3.693 -11.003 1.00 0.00 H new ATOM 0 HE2 LYS A 4 19.806 2.367 -12.040 1.00 0.00 H new ATOM 0 HE3 LYS A 4 18.708 3.115 -10.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 18.488 4.639 -12.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 19.952 5.268 -11.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 19.952 4.231 -13.263 1.00 0.00 H new ATOM 66 N GLY A 5 21.318 2.847 -6.062 1.00 0.00 N ATOM 67 CA GLY A 5 22.562 3.277 -5.453 1.00 0.00 C ATOM 68 C GLY A 5 22.635 4.781 -5.281 1.00 0.00 C ATOM 69 O GLY A 5 22.068 5.334 -4.338 1.00 0.00 O ATOM 0 H GLY A 5 20.865 2.058 -5.600 1.00 0.00 H new ATOM 0 HA2 GLY A 5 22.671 2.798 -4.480 1.00 0.00 H new ATOM 0 HA3 GLY A 5 23.398 2.944 -6.068 1.00 0.00 H new ATOM 73 N VAL A 6 23.336 5.446 -6.194 1.00 0.00 N ATOM 74 CA VAL A 6 23.482 6.896 -6.139 1.00 0.00 C ATOM 75 C VAL A 6 23.635 7.486 -7.536 1.00 0.00 C ATOM 76 O VAL A 6 24.195 8.569 -7.707 1.00 0.00 O ATOM 77 CB VAL A 6 24.696 7.307 -5.284 1.00 0.00 C ATOM 78 CG1 VAL A 6 24.608 8.777 -4.903 1.00 0.00 C ATOM 79 CG2 VAL A 6 24.794 6.431 -4.044 1.00 0.00 C ATOM 0 H VAL A 6 23.812 5.004 -6.981 1.00 0.00 H new ATOM 0 HA VAL A 6 22.575 7.288 -5.679 1.00 0.00 H new ATOM 0 HB VAL A 6 25.601 7.164 -5.875 1.00 0.00 H new ATOM 0 HG11 VAL A 6 25.474 9.049 -4.299 1.00 0.00 H new ATOM 0 HG12 VAL A 6 24.590 9.387 -5.806 1.00 0.00 H new ATOM 0 HG13 VAL A 6 23.697 8.950 -4.330 1.00 0.00 H new ATOM 0 HG21 VAL A 6 25.657 6.735 -3.451 1.00 0.00 H new ATOM 0 HG22 VAL A 6 23.888 6.541 -3.448 1.00 0.00 H new ATOM 0 HG23 VAL A 6 24.908 5.389 -4.343 1.00 0.00 H new ATOM 89 N THR A 7 23.132 6.767 -8.535 1.00 0.00 N ATOM 90 CA THR A 7 23.213 7.218 -9.918 1.00 0.00 C ATOM 91 C THR A 7 22.255 8.375 -10.176 1.00 0.00 C ATOM 92 O THR A 7 21.275 8.556 -9.453 1.00 0.00 O ATOM 93 CB THR A 7 22.897 6.076 -10.901 1.00 0.00 C ATOM 94 OG1 THR A 7 23.560 4.876 -10.488 1.00 0.00 O ATOM 95 CG2 THR A 7 23.330 6.441 -12.313 1.00 0.00 C ATOM 0 H THR A 7 22.664 5.869 -8.411 1.00 0.00 H new ATOM 0 HA THR A 7 24.237 7.554 -10.081 1.00 0.00 H new ATOM 0 HB THR A 7 21.819 5.914 -10.900 1.00 0.00 H new ATOM 0 HG1 THR A 7 23.697 4.294 -11.265 1.00 0.00 H new ATOM 0 HG21 THR A 7 23.096 5.619 -12.989 1.00 0.00 H new ATOM 0 HG22 THR A 7 22.801 7.338 -12.636 1.00 0.00 H new ATOM 0 HG23 THR A 7 24.404 6.629 -12.327 1.00 0.00 H new ATOM 103 N PHE A 8 22.543 9.157 -11.212 1.00 0.00 N ATOM 104 CA PHE A 8 21.706 10.297 -11.565 1.00 0.00 C ATOM 105 C PHE A 8 21.988 10.757 -12.992 1.00 0.00 C ATOM 106 O PHE A 8 23.142 10.907 -13.392 1.00 0.00 O ATOM 107 CB PHE A 8 21.943 11.452 -10.589 1.00 0.00 C ATOM 108 CG PHE A 8 23.319 12.045 -10.684 1.00 0.00 C ATOM 109 CD1 PHE A 8 24.403 11.413 -10.097 1.00 0.00 C ATOM 110 CD2 PHE A 8 23.529 13.236 -11.362 1.00 0.00 C ATOM 111 CE1 PHE A 8 25.671 11.956 -10.183 1.00 0.00 C ATOM 112 CE2 PHE A 8 24.795 13.783 -11.451 1.00 0.00 C ATOM 113 CZ PHE A 8 25.867 13.143 -10.860 1.00 0.00 C ATOM 0 H PHE A 8 23.350 9.021 -11.821 1.00 0.00 H new ATOM 0 HA PHE A 8 20.664 9.984 -11.502 1.00 0.00 H new ATOM 0 HB2 PHE A 8 21.206 12.233 -10.777 1.00 0.00 H new ATOM 0 HB3 PHE A 8 21.779 11.097 -9.572 1.00 0.00 H new ATOM 0 HD1 PHE A 8 24.255 10.484 -9.566 1.00 0.00 H new ATOM 0 HD2 PHE A 8 22.695 13.741 -11.825 1.00 0.00 H new ATOM 0 HE1 PHE A 8 26.507 11.452 -9.721 1.00 0.00 H new ATOM 0 HE2 PHE A 8 24.946 14.711 -11.983 1.00 0.00 H new ATOM 0 HZ PHE A 8 26.857 13.570 -10.927 1.00 0.00 H new ATOM 123 N GLY A 9 20.923 10.980 -13.757 1.00 0.00 N ATOM 124 CA GLY A 9 21.076 11.420 -15.132 1.00 0.00 C ATOM 125 C GLY A 9 21.626 10.330 -16.031 1.00 0.00 C ATOM 126 O GLY A 9 22.707 10.475 -16.601 1.00 0.00 O ATOM 0 H GLY A 9 19.958 10.864 -13.449 1.00 0.00 H new ATOM 0 HA2 GLY A 9 20.110 11.749 -15.515 1.00 0.00 H new ATOM 0 HA3 GLY A 9 21.742 12.282 -15.162 1.00 0.00 H new ATOM 130 N GLU A 10 20.881 9.237 -16.157 1.00 0.00 N ATOM 131 CA GLU A 10 21.302 8.118 -16.992 1.00 0.00 C ATOM 132 C GLU A 10 20.526 8.096 -18.305 1.00 0.00 C ATOM 133 O GLU A 10 21.109 7.962 -19.381 1.00 0.00 O ATOM 134 CB GLU A 10 21.105 6.795 -16.248 1.00 0.00 C ATOM 135 CG GLU A 10 22.320 6.359 -15.448 1.00 0.00 C ATOM 136 CD GLU A 10 23.440 5.835 -16.326 1.00 0.00 C ATOM 137 OE1 GLU A 10 24.288 6.647 -16.753 1.00 0.00 O ATOM 138 OE2 GLU A 10 23.467 4.615 -16.588 1.00 0.00 O ATOM 0 H GLU A 10 19.983 9.102 -15.692 1.00 0.00 H new ATOM 0 HA GLU A 10 22.361 8.245 -17.218 1.00 0.00 H new ATOM 0 HB2 GLU A 10 20.253 6.890 -15.575 1.00 0.00 H new ATOM 0 HB3 GLU A 10 20.857 6.016 -16.969 1.00 0.00 H new ATOM 0 HG2 GLU A 10 22.687 7.202 -14.863 1.00 0.00 H new ATOM 0 HG3 GLU A 10 22.025 5.584 -14.740 1.00 0.00 H new ATOM 145 N ASP A 11 19.207 8.229 -18.208 1.00 0.00 N ATOM 146 CA ASP A 11 18.350 8.226 -19.388 1.00 0.00 C ATOM 147 C ASP A 11 16.928 8.645 -19.028 1.00 0.00 C ATOM 148 O ASP A 11 16.448 9.691 -19.464 1.00 0.00 O ATOM 149 CB ASP A 11 18.338 6.838 -20.032 1.00 0.00 C ATOM 150 CG ASP A 11 18.108 6.897 -21.530 1.00 0.00 C ATOM 151 OD1 ASP A 11 17.603 7.932 -22.012 1.00 0.00 O ATOM 152 OD2 ASP A 11 18.435 5.908 -22.219 1.00 0.00 O ATOM 0 H ASP A 11 18.709 8.340 -17.325 1.00 0.00 H new ATOM 0 HA ASP A 11 18.752 8.946 -20.101 1.00 0.00 H new ATOM 0 HB2 ASP A 11 19.287 6.340 -19.832 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.557 6.233 -19.571 1.00 0.00 H new ATOM 157 N THR A 12 16.258 7.820 -18.228 1.00 0.00 N ATOM 158 CA THR A 12 14.891 8.104 -17.811 1.00 0.00 C ATOM 159 C THR A 12 14.458 7.179 -16.679 1.00 0.00 C ATOM 160 O THR A 12 15.159 6.224 -16.342 1.00 0.00 O ATOM 161 CB THR A 12 13.903 7.957 -18.984 1.00 0.00 C ATOM 162 OG1 THR A 12 12.606 8.420 -18.594 1.00 0.00 O ATOM 163 CG2 THR A 12 13.814 6.508 -19.439 1.00 0.00 C ATOM 0 H THR A 12 16.640 6.950 -17.857 1.00 0.00 H new ATOM 0 HA THR A 12 14.876 9.136 -17.460 1.00 0.00 H new ATOM 0 HB THR A 12 14.269 8.560 -19.815 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.985 8.325 -19.346 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.110 6.429 -20.268 1.00 0.00 H new ATOM 0 HG22 THR A 12 14.797 6.168 -19.764 1.00 0.00 H new ATOM 0 HG23 THR A 12 13.470 5.887 -18.612 1.00 0.00 H new ATOM 171 N VAL A 13 13.299 7.467 -16.096 1.00 0.00 N ATOM 172 CA VAL A 13 12.772 6.659 -15.002 1.00 0.00 C ATOM 173 C VAL A 13 11.977 5.470 -15.531 1.00 0.00 C ATOM 174 O VAL A 13 11.580 5.445 -16.695 1.00 0.00 O ATOM 175 CB VAL A 13 11.871 7.493 -14.072 1.00 0.00 C ATOM 176 CG1 VAL A 13 11.826 6.879 -12.681 1.00 0.00 C ATOM 177 CG2 VAL A 13 12.355 8.934 -14.013 1.00 0.00 C ATOM 0 H VAL A 13 12.707 8.254 -16.363 1.00 0.00 H new ATOM 0 HA VAL A 13 13.629 6.296 -14.435 1.00 0.00 H new ATOM 0 HB VAL A 13 10.859 7.491 -14.477 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.185 7.482 -12.038 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.428 5.866 -12.743 1.00 0.00 H new ATOM 0 HG13 VAL A 13 12.833 6.849 -12.264 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.707 9.509 -13.351 1.00 0.00 H new ATOM 0 HG22 VAL A 13 13.376 8.960 -13.633 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.329 9.368 -15.013 1.00 0.00 H new ATOM 187 N TRP A 14 11.748 4.488 -14.667 1.00 0.00 N ATOM 188 CA TRP A 14 11.000 3.295 -15.046 1.00 0.00 C ATOM 189 C TRP A 14 11.710 2.539 -16.164 1.00 0.00 C ATOM 190 O TRP A 14 11.108 1.709 -16.843 1.00 0.00 O ATOM 191 CB TRP A 14 9.586 3.675 -15.490 1.00 0.00 C ATOM 192 CG TRP A 14 8.721 4.160 -14.366 1.00 0.00 C ATOM 193 CD1 TRP A 14 8.864 5.323 -13.665 1.00 0.00 C ATOM 194 CD2 TRP A 14 7.581 3.494 -13.814 1.00 0.00 C ATOM 195 NE1 TRP A 14 7.882 5.420 -12.709 1.00 0.00 N ATOM 196 CE2 TRP A 14 7.081 4.311 -12.781 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.931 2.288 -14.092 1.00 0.00 C ATOM 198 CZ2 TRP A 14 5.964 3.959 -12.027 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.824 1.940 -13.343 1.00 0.00 C ATOM 200 CH2 TRP A 14 5.349 2.772 -12.321 1.00 0.00 C ATOM 0 H TRP A 14 12.070 4.494 -13.699 1.00 0.00 H new ATOM 0 HA TRP A 14 10.938 2.643 -14.174 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.649 4.452 -16.252 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.114 2.810 -15.955 1.00 0.00 H new ATOM 0 HD1 TRP A 14 9.636 6.059 -13.837 1.00 0.00 H new ATOM 0 HE1 TRP A 14 7.768 6.192 -12.052 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.288 1.640 -14.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.596 4.599 -11.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.315 1.010 -13.549 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.481 2.471 -11.754 1.00 0.00 H new ATOM 211 N GLU A 15 12.994 2.832 -16.347 1.00 0.00 N ATOM 212 CA GLU A 15 13.785 2.179 -17.384 1.00 0.00 C ATOM 213 C GLU A 15 15.174 1.822 -16.863 1.00 0.00 C ATOM 214 O GLU A 15 15.709 0.756 -17.169 1.00 0.00 O ATOM 215 CB GLU A 15 13.905 3.084 -18.611 1.00 0.00 C ATOM 216 CG GLU A 15 12.715 2.994 -19.552 1.00 0.00 C ATOM 217 CD GLU A 15 13.127 2.767 -20.994 1.00 0.00 C ATOM 218 OE1 GLU A 15 13.707 3.694 -21.597 1.00 0.00 O ATOM 219 OE2 GLU A 15 12.870 1.664 -21.518 1.00 0.00 O ATOM 0 H GLU A 15 13.508 3.516 -15.792 1.00 0.00 H new ATOM 0 HA GLU A 15 13.275 1.259 -17.670 1.00 0.00 H new ATOM 0 HB2 GLU A 15 14.019 4.116 -18.281 1.00 0.00 H new ATOM 0 HB3 GLU A 15 14.811 2.822 -19.158 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.064 2.180 -19.232 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.133 3.913 -19.485 1.00 0.00 H new ATOM 226 N VAL A 16 15.754 2.722 -16.076 1.00 0.00 N ATOM 227 CA VAL A 16 17.081 2.503 -15.512 1.00 0.00 C ATOM 228 C VAL A 16 17.058 2.618 -13.992 1.00 0.00 C ATOM 229 O VAL A 16 17.834 1.961 -13.299 1.00 0.00 O ATOM 230 CB VAL A 16 18.103 3.508 -16.076 1.00 0.00 C ATOM 231 CG1 VAL A 16 17.791 4.916 -15.593 1.00 0.00 C ATOM 232 CG2 VAL A 16 19.517 3.103 -15.687 1.00 0.00 C ATOM 0 H VAL A 16 15.326 3.610 -15.814 1.00 0.00 H new ATOM 0 HA VAL A 16 17.382 1.494 -15.793 1.00 0.00 H new ATOM 0 HB VAL A 16 18.033 3.500 -17.164 1.00 0.00 H new ATOM 0 HG11 VAL A 16 18.524 5.612 -16.002 1.00 0.00 H new ATOM 0 HG12 VAL A 16 16.793 5.202 -15.926 1.00 0.00 H new ATOM 0 HG13 VAL A 16 17.832 4.945 -14.504 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.227 3.824 -16.093 1.00 0.00 H new ATOM 0 HG22 VAL A 16 19.604 3.082 -14.601 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.735 2.113 -16.088 1.00 0.00 H new ATOM 242 N GLN A 17 16.162 3.456 -13.481 1.00 0.00 N ATOM 243 CA GLN A 17 16.038 3.656 -12.042 1.00 0.00 C ATOM 244 C GLN A 17 15.929 2.321 -11.313 1.00 0.00 C ATOM 245 O GLN A 17 16.524 2.130 -10.254 1.00 0.00 O ATOM 246 CB GLN A 17 14.817 4.523 -11.729 1.00 0.00 C ATOM 247 CG GLN A 17 14.239 4.283 -10.344 1.00 0.00 C ATOM 248 CD GLN A 17 13.281 5.376 -9.914 1.00 0.00 C ATOM 249 OE1 GLN A 17 13.692 6.398 -9.363 1.00 0.00 O ATOM 250 NE2 GLN A 17 11.993 5.167 -10.165 1.00 0.00 N ATOM 0 H GLN A 17 15.512 4.007 -14.041 1.00 0.00 H new ATOM 0 HA GLN A 17 16.936 4.166 -11.694 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.094 5.573 -11.821 1.00 0.00 H new ATOM 0 HB3 GLN A 17 14.045 4.331 -12.474 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.720 3.325 -10.332 1.00 0.00 H new ATOM 0 HG3 GLN A 17 15.053 4.214 -9.622 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.696 4.306 -10.624 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.301 5.868 -9.899 1.00 0.00 H new ATOM 259 N GLY A 18 15.163 1.399 -11.889 1.00 0.00 N ATOM 260 CA GLY A 18 14.989 0.093 -11.280 1.00 0.00 C ATOM 261 C GLY A 18 13.998 0.116 -10.133 1.00 0.00 C ATOM 262 O GLY A 18 14.134 -0.642 -9.172 1.00 0.00 O ATOM 0 H GLY A 18 14.660 1.533 -12.766 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.649 -0.615 -12.036 1.00 0.00 H new ATOM 0 HA3 GLY A 18 15.952 -0.267 -10.917 1.00 0.00 H new ATOM 266 N TYR A 19 13.002 0.988 -10.231 1.00 0.00 N ATOM 267 CA TYR A 19 11.987 1.110 -9.191 1.00 0.00 C ATOM 268 C TYR A 19 10.659 1.579 -9.777 1.00 0.00 C ATOM 269 O TYR A 19 10.618 2.178 -10.852 1.00 0.00 O ATOM 270 CB TYR A 19 12.452 2.084 -8.107 1.00 0.00 C ATOM 271 CG TYR A 19 13.496 1.505 -7.179 1.00 0.00 C ATOM 272 CD1 TYR A 19 13.200 0.427 -6.354 1.00 0.00 C ATOM 273 CD2 TYR A 19 14.779 2.036 -7.129 1.00 0.00 C ATOM 274 CE1 TYR A 19 14.151 -0.105 -5.505 1.00 0.00 C ATOM 275 CE2 TYR A 19 15.737 1.509 -6.283 1.00 0.00 C ATOM 276 CZ TYR A 19 15.418 0.440 -5.473 1.00 0.00 C ATOM 277 OH TYR A 19 16.368 -0.088 -4.629 1.00 0.00 O ATOM 0 H TYR A 19 12.875 1.622 -11.020 1.00 0.00 H new ATOM 0 HA TYR A 19 11.839 0.126 -8.746 1.00 0.00 H new ATOM 0 HB2 TYR A 19 12.856 2.977 -8.583 1.00 0.00 H new ATOM 0 HB3 TYR A 19 11.590 2.398 -7.519 1.00 0.00 H new ATOM 0 HD1 TYR A 19 12.209 -0.002 -6.377 1.00 0.00 H new ATOM 0 HD2 TYR A 19 15.032 2.874 -7.761 1.00 0.00 H new ATOM 0 HE1 TYR A 19 13.904 -0.943 -4.870 1.00 0.00 H new ATOM 0 HE2 TYR A 19 16.730 1.933 -6.257 1.00 0.00 H new ATOM 0 HH TYR A 19 17.207 0.409 -4.729 1.00 0.00 H new ATOM 287 N LYS A 20 9.574 1.303 -9.062 1.00 0.00 N ATOM 288 CA LYS A 20 8.243 1.698 -9.507 1.00 0.00 C ATOM 289 C LYS A 20 7.462 2.356 -8.374 1.00 0.00 C ATOM 290 O LYS A 20 7.853 2.276 -7.211 1.00 0.00 O ATOM 291 CB LYS A 20 7.476 0.481 -10.030 1.00 0.00 C ATOM 292 CG LYS A 20 7.779 0.147 -11.480 1.00 0.00 C ATOM 293 CD LYS A 20 9.050 -0.675 -11.609 1.00 0.00 C ATOM 294 CE LYS A 20 9.024 -1.551 -12.852 1.00 0.00 C ATOM 295 NZ LYS A 20 9.232 -0.757 -14.095 1.00 0.00 N ATOM 0 H LYS A 20 9.590 0.807 -8.171 1.00 0.00 H new ATOM 0 HA LYS A 20 8.357 2.422 -10.313 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.715 -0.383 -9.410 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.407 0.663 -9.924 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.943 -0.405 -11.910 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.881 1.069 -12.053 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.912 -0.009 -11.650 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.171 -1.300 -10.724 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.798 -2.314 -12.775 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.068 -2.072 -12.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.207 -1.390 -14.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.479 -0.045 -14.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.155 -0.280 -14.052 1.00 0.00 H new ATOM 309 N ASN A 21 6.356 3.005 -8.722 1.00 0.00 N ATOM 310 CA ASN A 21 5.520 3.676 -7.733 1.00 0.00 C ATOM 311 C ASN A 21 4.067 3.228 -7.856 1.00 0.00 C ATOM 312 O ASN A 21 3.374 3.583 -8.810 1.00 0.00 O ATOM 313 CB ASN A 21 5.613 5.194 -7.901 1.00 0.00 C ATOM 314 CG ASN A 21 7.047 5.677 -8.004 1.00 0.00 C ATOM 315 OD1 ASN A 21 7.647 6.091 -7.012 1.00 0.00 O ATOM 316 ND2 ASN A 21 7.604 5.626 -9.209 1.00 0.00 N ATOM 0 H ASN A 21 6.018 3.081 -9.681 1.00 0.00 H new ATOM 0 HA ASN A 21 5.883 3.404 -6.742 1.00 0.00 H new ATOM 0 HB2 ASN A 21 5.067 5.492 -8.796 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.128 5.681 -7.055 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.566 5.937 -9.340 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.069 5.275 -10.004 1.00 0.00 H new ATOM 323 N VAL A 22 3.610 2.446 -6.883 1.00 0.00 N ATOM 324 CA VAL A 22 2.239 1.950 -6.880 1.00 0.00 C ATOM 325 C VAL A 22 1.406 2.644 -5.807 1.00 0.00 C ATOM 326 O VAL A 22 1.915 2.996 -4.743 1.00 0.00 O ATOM 327 CB VAL A 22 2.192 0.429 -6.646 1.00 0.00 C ATOM 328 CG1 VAL A 22 2.775 0.079 -5.286 1.00 0.00 C ATOM 329 CG2 VAL A 22 0.766 -0.086 -6.773 1.00 0.00 C ATOM 0 H VAL A 22 4.170 2.142 -6.086 1.00 0.00 H new ATOM 0 HA VAL A 22 1.821 2.172 -7.862 1.00 0.00 H new ATOM 0 HB VAL A 22 2.799 -0.057 -7.410 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.733 -1.000 -5.139 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.812 0.412 -5.238 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.199 0.574 -4.505 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.752 -1.163 -6.605 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.134 0.405 -6.033 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.389 0.130 -7.773 1.00 0.00 H new ATOM 339 N ARG A 23 0.123 2.836 -6.094 1.00 0.00 N ATOM 340 CA ARG A 23 -0.781 3.488 -5.155 1.00 0.00 C ATOM 341 C ARG A 23 -2.031 2.643 -4.927 1.00 0.00 C ATOM 342 O ARG A 23 -2.320 1.726 -5.696 1.00 0.00 O ATOM 343 CB ARG A 23 -1.175 4.873 -5.671 1.00 0.00 C ATOM 344 CG ARG A 23 -1.576 5.842 -4.570 1.00 0.00 C ATOM 345 CD ARG A 23 -0.688 7.076 -4.564 1.00 0.00 C ATOM 346 NE ARG A 23 -1.443 8.293 -4.277 1.00 0.00 N ATOM 347 CZ ARG A 23 -2.337 8.816 -5.108 1.00 0.00 C ATOM 348 NH1 ARG A 23 -2.587 8.232 -6.272 1.00 0.00 N ATOM 349 NH2 ARG A 23 -2.984 9.926 -4.776 1.00 0.00 N ATOM 0 H ARG A 23 -0.314 2.549 -6.970 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.259 3.597 -4.204 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.339 5.295 -6.228 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.004 4.768 -6.371 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.615 6.141 -4.707 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.513 5.342 -3.603 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.098 6.953 -3.819 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.197 7.174 -5.532 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.274 8.767 -3.390 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.092 7.379 -6.531 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.274 8.636 -6.908 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.795 10.378 -3.882 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.670 10.327 -5.415 1.00 0.00 H new ATOM 363 N ILE A 24 -2.767 2.959 -3.867 1.00 0.00 N ATOM 364 CA ILE A 24 -3.986 2.229 -3.539 1.00 0.00 C ATOM 365 C ILE A 24 -5.176 3.175 -3.414 1.00 0.00 C ATOM 366 O ILE A 24 -5.032 4.317 -2.978 1.00 0.00 O ATOM 367 CB ILE A 24 -3.833 1.438 -2.227 1.00 0.00 C ATOM 368 CG1 ILE A 24 -2.718 2.040 -1.370 1.00 0.00 C ATOM 369 CG2 ILE A 24 -3.549 -0.028 -2.522 1.00 0.00 C ATOM 370 CD1 ILE A 24 -1.335 1.558 -1.751 1.00 0.00 C ATOM 0 H ILE A 24 -2.541 3.715 -3.221 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.165 1.530 -4.356 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.768 1.502 -1.670 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.752 3.126 -1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.903 1.797 -0.324 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.443 -0.574 -1.585 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.374 -0.450 -3.097 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.626 -0.111 -3.096 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.595 2.026 -1.102 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.283 0.475 -1.639 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.129 1.825 -2.787 1.00 0.00 H new ATOM 382 N THR A 25 -6.353 2.690 -3.797 1.00 0.00 N ATOM 383 CA THR A 25 -7.569 3.491 -3.727 1.00 0.00 C ATOM 384 C THR A 25 -8.803 2.606 -3.596 1.00 0.00 C ATOM 385 O THR A 25 -9.871 2.931 -4.115 1.00 0.00 O ATOM 386 CB THR A 25 -7.724 4.386 -4.971 1.00 0.00 C ATOM 387 OG1 THR A 25 -6.457 4.950 -5.330 1.00 0.00 O ATOM 388 CG2 THR A 25 -8.726 5.501 -4.713 1.00 0.00 C ATOM 0 H THR A 25 -6.490 1.746 -4.159 1.00 0.00 H new ATOM 0 HA THR A 25 -7.482 4.122 -2.842 1.00 0.00 H new ATOM 0 HB THR A 25 -8.092 3.770 -5.791 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.564 5.516 -6.123 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.819 6.120 -5.605 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.696 5.069 -4.468 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.382 6.114 -3.880 1.00 0.00 H new ATOM 396 N PHE A 26 -8.650 1.486 -2.897 1.00 0.00 N ATOM 397 CA PHE A 26 -9.754 0.554 -2.696 1.00 0.00 C ATOM 398 C PHE A 26 -10.502 0.866 -1.404 1.00 0.00 C ATOM 399 O PHE A 26 -11.615 1.389 -1.430 1.00 0.00 O ATOM 400 CB PHE A 26 -9.234 -0.885 -2.663 1.00 0.00 C ATOM 401 CG PHE A 26 -10.324 -1.918 -2.713 1.00 0.00 C ATOM 402 CD1 PHE A 26 -11.646 -1.540 -2.878 1.00 0.00 C ATOM 403 CD2 PHE A 26 -10.025 -3.265 -2.593 1.00 0.00 C ATOM 404 CE1 PHE A 26 -12.652 -2.488 -2.925 1.00 0.00 C ATOM 405 CE2 PHE A 26 -11.026 -4.217 -2.639 1.00 0.00 C ATOM 406 CZ PHE A 26 -12.341 -3.828 -2.804 1.00 0.00 C ATOM 0 H PHE A 26 -7.773 1.202 -2.460 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.446 0.665 -3.531 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.560 -1.039 -3.506 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.648 -1.030 -1.755 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.894 -0.493 -2.971 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.999 -3.575 -2.462 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.679 -2.181 -3.056 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.780 -5.265 -2.546 1.00 0.00 H new ATOM 0 HZ PHE A 26 -13.125 -4.570 -2.838 1.00 0.00 H new ATOM 416 N GLU A 27 -9.881 0.540 -0.274 1.00 0.00 N ATOM 417 CA GLU A 27 -10.489 0.784 1.029 1.00 0.00 C ATOM 418 C GLU A 27 -9.607 0.243 2.150 1.00 0.00 C ATOM 419 O GLU A 27 -8.635 -0.472 1.902 1.00 0.00 O ATOM 420 CB GLU A 27 -11.875 0.140 1.098 1.00 0.00 C ATOM 421 CG GLU A 27 -12.997 1.135 1.339 1.00 0.00 C ATOM 422 CD GLU A 27 -14.269 0.770 0.599 1.00 0.00 C ATOM 423 OE1 GLU A 27 -14.782 -0.348 0.817 1.00 0.00 O ATOM 424 OE2 GLU A 27 -14.752 1.601 -0.198 1.00 0.00 O ATOM 0 H GLU A 27 -8.958 0.107 -0.235 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.591 1.861 1.159 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.066 -0.392 0.166 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.882 -0.603 1.896 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.206 1.190 2.407 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.671 2.127 1.026 1.00 0.00 H new ATOM 431 N LEU A 28 -9.953 0.588 3.386 1.00 0.00 N ATOM 432 CA LEU A 28 -9.194 0.138 4.547 1.00 0.00 C ATOM 433 C LEU A 28 -9.910 0.507 5.842 1.00 0.00 C ATOM 434 O LEU A 28 -10.162 -0.350 6.689 1.00 0.00 O ATOM 435 CB LEU A 28 -7.792 0.751 4.534 1.00 0.00 C ATOM 436 CG LEU A 28 -6.628 -0.234 4.641 1.00 0.00 C ATOM 437 CD1 LEU A 28 -6.091 -0.578 3.260 1.00 0.00 C ATOM 438 CD2 LEU A 28 -5.523 0.339 5.517 1.00 0.00 C ATOM 0 H LEU A 28 -10.754 1.178 3.609 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.110 -0.948 4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.675 1.322 3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.719 1.459 5.359 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.994 -1.150 5.105 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.263 -1.280 3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.883 -1.031 2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.741 0.330 2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.703 -0.376 5.582 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.160 1.270 5.082 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.914 0.534 6.516 1.00 0.00 H new ATOM 450 N ASP A 29 -10.237 1.786 5.988 1.00 0.00 N ATOM 451 CA ASP A 29 -10.927 2.268 7.178 1.00 0.00 C ATOM 452 C ASP A 29 -12.176 3.058 6.800 1.00 0.00 C ATOM 453 O ASP A 29 -12.513 3.177 5.622 1.00 0.00 O ATOM 454 CB ASP A 29 -9.993 3.139 8.019 1.00 0.00 C ATOM 455 CG ASP A 29 -10.101 2.842 9.502 1.00 0.00 C ATOM 456 OD1 ASP A 29 -10.975 3.439 10.164 1.00 0.00 O ATOM 457 OD2 ASP A 29 -9.314 2.010 9.999 1.00 0.00 O ATOM 0 H ASP A 29 -10.035 2.508 5.296 1.00 0.00 H new ATOM 0 HA ASP A 29 -11.231 1.402 7.766 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.964 2.982 7.694 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.226 4.189 7.844 1.00 0.00 H new ATOM 462 N GLU A 30 -12.858 3.596 7.806 1.00 0.00 N ATOM 463 CA GLU A 30 -14.070 4.373 7.578 1.00 0.00 C ATOM 464 C GLU A 30 -13.897 5.808 8.069 1.00 0.00 C ATOM 465 O GLU A 30 -14.431 6.746 7.477 1.00 0.00 O ATOM 466 CB GLU A 30 -15.261 3.721 8.283 1.00 0.00 C ATOM 467 CG GLU A 30 -15.827 2.522 7.540 1.00 0.00 C ATOM 468 CD GLU A 30 -17.342 2.528 7.490 1.00 0.00 C ATOM 469 OE1 GLU A 30 -17.965 3.049 8.438 1.00 0.00 O ATOM 470 OE2 GLU A 30 -17.905 2.011 6.502 1.00 0.00 O ATOM 0 H GLU A 30 -12.592 3.508 8.787 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.260 4.395 6.505 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.955 3.408 9.281 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -16.048 4.464 8.410 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.434 2.511 6.523 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.487 1.606 8.023 1.00 0.00 H new ATOM 477 N ARG A 31 -13.148 5.969 9.155 1.00 0.00 N ATOM 478 CA ARG A 31 -12.906 7.288 9.727 1.00 0.00 C ATOM 479 C ARG A 31 -11.513 7.791 9.362 1.00 0.00 C ATOM 480 O ARG A 31 -11.257 8.996 9.362 1.00 0.00 O ATOM 481 CB ARG A 31 -13.062 7.243 11.248 1.00 0.00 C ATOM 482 CG ARG A 31 -14.388 7.797 11.741 1.00 0.00 C ATOM 483 CD ARG A 31 -15.564 7.020 11.169 1.00 0.00 C ATOM 484 NE ARG A 31 -16.260 7.769 10.127 1.00 0.00 N ATOM 485 CZ ARG A 31 -17.448 7.424 9.643 1.00 0.00 C ATOM 486 NH1 ARG A 31 -18.068 6.347 10.105 1.00 0.00 N ATOM 487 NH2 ARG A 31 -18.017 8.156 8.694 1.00 0.00 N ATOM 0 H ARG A 31 -12.698 5.203 9.656 1.00 0.00 H new ATOM 0 HA ARG A 31 -13.642 7.977 9.313 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.961 6.211 11.585 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -12.250 7.808 11.705 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -14.418 7.756 12.830 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -14.472 8.847 11.459 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -15.209 6.074 10.760 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -16.263 6.778 11.970 1.00 0.00 H new ATOM 0 HE ARG A 31 -15.809 8.603 9.750 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -17.633 5.781 10.834 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -18.980 6.084 9.732 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -17.542 8.984 8.335 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -18.929 7.890 8.323 1.00 0.00 H new ATOM 501 N VAL A 32 -10.616 6.861 9.051 1.00 0.00 N ATOM 502 CA VAL A 32 -9.249 7.210 8.683 1.00 0.00 C ATOM 503 C VAL A 32 -8.839 6.530 7.381 1.00 0.00 C ATOM 504 O VAL A 32 -7.709 6.061 7.243 1.00 0.00 O ATOM 505 CB VAL A 32 -8.252 6.818 9.790 1.00 0.00 C ATOM 506 CG1 VAL A 32 -8.363 7.772 10.970 1.00 0.00 C ATOM 507 CG2 VAL A 32 -8.485 5.381 10.231 1.00 0.00 C ATOM 0 H VAL A 32 -10.811 5.860 9.047 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.224 8.291 8.548 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.241 6.891 9.389 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.651 7.480 11.742 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.143 8.787 10.639 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -9.374 7.734 11.375 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.772 5.120 11.013 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.500 5.278 10.616 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.350 4.713 9.380 1.00 0.00 H new ATOM 517 N ASP A 33 -9.764 6.482 6.429 1.00 0.00 N ATOM 518 CA ASP A 33 -9.499 5.860 5.137 1.00 0.00 C ATOM 519 C ASP A 33 -8.539 6.711 4.311 1.00 0.00 C ATOM 520 O ASP A 33 -7.530 6.217 3.808 1.00 0.00 O ATOM 521 CB ASP A 33 -10.806 5.653 4.369 1.00 0.00 C ATOM 522 CG ASP A 33 -10.789 4.392 3.528 1.00 0.00 C ATOM 523 OD1 ASP A 33 -9.716 3.763 3.423 1.00 0.00 O ATOM 524 OD2 ASP A 33 -11.850 4.034 2.975 1.00 0.00 O ATOM 0 H ASP A 33 -10.704 6.866 6.527 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.034 4.890 5.317 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.635 5.604 5.075 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.986 6.514 3.725 1.00 0.00 H new ATOM 529 N LYS A 34 -8.860 7.993 4.176 1.00 0.00 N ATOM 530 CA LYS A 34 -8.027 8.915 3.412 1.00 0.00 C ATOM 531 C LYS A 34 -6.645 9.049 4.043 1.00 0.00 C ATOM 532 O LYS A 34 -5.710 9.544 3.413 1.00 0.00 O ATOM 533 CB LYS A 34 -8.696 10.288 3.326 1.00 0.00 C ATOM 534 CG LYS A 34 -8.260 11.247 4.421 1.00 0.00 C ATOM 535 CD LYS A 34 -8.626 10.722 5.799 1.00 0.00 C ATOM 536 CE LYS A 34 -9.350 11.776 6.623 1.00 0.00 C ATOM 537 NZ LYS A 34 -8.958 11.723 8.059 1.00 0.00 N ATOM 0 H LYS A 34 -9.692 8.418 4.586 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.910 8.512 2.406 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.472 10.732 2.356 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.777 10.160 3.376 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.182 11.401 4.364 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.730 12.218 4.264 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.259 9.840 5.697 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.723 10.408 6.321 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.129 12.765 6.222 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.427 11.630 6.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.473 12.457 8.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.192 10.788 8.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.935 11.888 8.146 1.00 0.00 H new ATOM 551 N VAL A 35 -6.522 8.604 5.289 1.00 0.00 N ATOM 552 CA VAL A 35 -5.253 8.672 6.004 1.00 0.00 C ATOM 553 C VAL A 35 -4.195 7.806 5.329 1.00 0.00 C ATOM 554 O VAL A 35 -3.000 7.950 5.592 1.00 0.00 O ATOM 555 CB VAL A 35 -5.410 8.224 7.469 1.00 0.00 C ATOM 556 CG1 VAL A 35 -4.081 8.322 8.203 1.00 0.00 C ATOM 557 CG2 VAL A 35 -6.477 9.052 8.168 1.00 0.00 C ATOM 0 H VAL A 35 -7.286 8.192 5.825 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.933 9.714 5.983 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.727 7.181 7.480 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.212 8.001 9.237 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.347 7.681 7.714 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.731 9.354 8.185 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.574 8.722 9.202 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.192 10.104 8.148 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.430 8.925 7.655 1.00 0.00 H new ATOM 567 N LEU A 36 -4.641 6.908 4.459 1.00 0.00 N ATOM 568 CA LEU A 36 -3.732 6.018 3.744 1.00 0.00 C ATOM 569 C LEU A 36 -3.851 6.214 2.236 1.00 0.00 C ATOM 570 O LEU A 36 -3.134 5.584 1.460 1.00 0.00 O ATOM 571 CB LEU A 36 -4.026 4.560 4.105 1.00 0.00 C ATOM 572 CG LEU A 36 -5.423 4.050 3.752 1.00 0.00 C ATOM 573 CD1 LEU A 36 -5.334 2.744 2.978 1.00 0.00 C ATOM 574 CD2 LEU A 36 -6.259 3.869 5.011 1.00 0.00 C ATOM 0 H LEU A 36 -5.626 6.776 4.231 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.713 6.262 4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.293 3.928 3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.875 4.435 5.177 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.911 4.792 3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.338 2.396 2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.773 2.904 2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.827 1.995 3.586 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.250 3.505 4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.775 3.147 5.669 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.351 4.825 5.527 1.00 0.00 H new ATOM 586 N ASN A 37 -4.761 7.093 1.829 1.00 0.00 N ATOM 587 CA ASN A 37 -4.973 7.373 0.414 1.00 0.00 C ATOM 588 C ASN A 37 -4.457 8.763 0.051 1.00 0.00 C ATOM 589 O ASN A 37 -4.091 9.019 -1.095 1.00 0.00 O ATOM 590 CB ASN A 37 -6.460 7.263 0.068 1.00 0.00 C ATOM 591 CG ASN A 37 -7.135 6.106 0.779 1.00 0.00 C ATOM 592 OD1 ASN A 37 -8.230 6.251 1.322 1.00 0.00 O ATOM 593 ND2 ASN A 37 -6.482 4.950 0.778 1.00 0.00 N ATOM 0 H ASN A 37 -5.363 7.623 2.459 1.00 0.00 H new ATOM 0 HA ASN A 37 -4.416 6.635 -0.164 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.962 8.193 0.335 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.571 7.139 -1.009 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.886 4.136 1.240 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.576 4.876 0.315 1.00 0.00 H new ATOM 600 N GLU A 38 -4.430 9.654 1.037 1.00 0.00 N ATOM 601 CA GLU A 38 -3.959 11.017 0.822 1.00 0.00 C ATOM 602 C GLU A 38 -2.772 11.332 1.727 1.00 0.00 C ATOM 603 O GLU A 38 -1.882 12.100 1.360 1.00 0.00 O ATOM 604 CB GLU A 38 -5.088 12.017 1.076 1.00 0.00 C ATOM 605 CG GLU A 38 -4.599 13.423 1.380 1.00 0.00 C ATOM 606 CD GLU A 38 -5.504 14.494 0.803 1.00 0.00 C ATOM 607 OE1 GLU A 38 -5.729 14.483 -0.425 1.00 0.00 O ATOM 608 OE2 GLU A 38 -5.989 15.342 1.581 1.00 0.00 O ATOM 0 H GLU A 38 -4.729 9.456 1.992 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.635 11.102 -0.215 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.738 12.049 0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.694 11.664 1.910 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.530 13.554 2.460 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.593 13.548 0.979 1.00 0.00 H new ATOM 615 N LYS A 39 -2.765 10.733 2.914 1.00 0.00 N ATOM 616 CA LYS A 39 -1.688 10.947 3.873 1.00 0.00 C ATOM 617 C LYS A 39 -0.503 10.036 3.573 1.00 0.00 C ATOM 618 O LYS A 39 0.632 10.334 3.950 1.00 0.00 O ATOM 619 CB LYS A 39 -2.190 10.698 5.297 1.00 0.00 C ATOM 620 CG LYS A 39 -1.949 11.864 6.240 1.00 0.00 C ATOM 621 CD LYS A 39 -3.102 12.040 7.215 1.00 0.00 C ATOM 622 CE LYS A 39 -4.367 12.498 6.505 1.00 0.00 C ATOM 623 NZ LYS A 39 -4.563 13.970 6.616 1.00 0.00 N ATOM 0 H LYS A 39 -3.494 10.095 3.234 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.358 11.982 3.786 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.258 10.483 5.264 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.698 9.811 5.697 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.025 11.700 6.794 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.817 12.779 5.663 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.293 11.098 7.729 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.827 12.769 7.977 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.315 12.217 5.453 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.229 11.984 6.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.435 14.242 6.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.638 14.236 7.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.753 14.461 6.187 1.00 0.00 H new ATOM 637 N CYS A 40 -0.772 8.928 2.893 1.00 0.00 N ATOM 638 CA CYS A 40 0.274 7.973 2.541 1.00 0.00 C ATOM 639 C CYS A 40 -0.292 6.831 1.704 1.00 0.00 C ATOM 640 O CYS A 40 -0.663 5.784 2.235 1.00 0.00 O ATOM 641 CB CYS A 40 0.932 7.418 3.805 1.00 0.00 C ATOM 642 SG CYS A 40 2.147 6.115 3.494 1.00 0.00 S ATOM 0 H CYS A 40 -1.705 8.668 2.574 1.00 0.00 H new ATOM 0 HA CYS A 40 1.025 8.495 1.949 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.420 8.235 4.337 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.156 7.027 4.464 1.00 0.00 H new ATOM 0 HG CYS A 40 2.649 5.711 4.623 1.00 0.00 H new ATOM 648 N SER A 41 -0.355 7.040 0.393 1.00 0.00 N ATOM 649 CA SER A 41 -0.881 6.030 -0.517 1.00 0.00 C ATOM 650 C SER A 41 0.192 5.575 -1.502 1.00 0.00 C ATOM 651 O SER A 41 0.064 4.528 -2.137 1.00 0.00 O ATOM 652 CB SER A 41 -2.089 6.578 -1.279 1.00 0.00 C ATOM 653 OG SER A 41 -3.005 5.544 -1.595 1.00 0.00 O ATOM 0 H SER A 41 -0.048 7.900 -0.063 1.00 0.00 H new ATOM 0 HA SER A 41 -1.194 5.171 0.076 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.588 7.338 -0.678 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.755 7.064 -2.195 1.00 0.00 H new ATOM 0 HG SER A 41 -3.555 5.817 -2.359 1.00 0.00 H new ATOM 659 N VAL A 42 1.250 6.370 -1.624 1.00 0.00 N ATOM 660 CA VAL A 42 2.346 6.050 -2.530 1.00 0.00 C ATOM 661 C VAL A 42 3.306 5.048 -1.899 1.00 0.00 C ATOM 662 O VAL A 42 3.576 5.102 -0.699 1.00 0.00 O ATOM 663 CB VAL A 42 3.131 7.314 -2.929 1.00 0.00 C ATOM 664 CG1 VAL A 42 4.148 6.991 -4.014 1.00 0.00 C ATOM 665 CG2 VAL A 42 2.180 8.409 -3.388 1.00 0.00 C ATOM 0 H VAL A 42 1.371 7.241 -1.107 1.00 0.00 H new ATOM 0 HA VAL A 42 1.901 5.610 -3.422 1.00 0.00 H new ATOM 0 HB VAL A 42 3.671 7.676 -2.054 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.693 7.896 -4.283 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.848 6.242 -3.645 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.632 6.603 -4.893 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.752 9.294 -3.666 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.611 8.059 -4.249 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.495 8.659 -2.578 1.00 0.00 H new ATOM 675 N TYR A 43 3.818 4.133 -2.715 1.00 0.00 N ATOM 676 CA TYR A 43 4.747 3.116 -2.237 1.00 0.00 C ATOM 677 C TYR A 43 5.695 2.679 -3.349 1.00 0.00 C ATOM 678 O TYR A 43 5.277 2.445 -4.483 1.00 0.00 O ATOM 679 CB TYR A 43 3.979 1.907 -1.700 1.00 0.00 C ATOM 680 CG TYR A 43 3.110 2.223 -0.504 1.00 0.00 C ATOM 681 CD1 TYR A 43 1.791 2.627 -0.667 1.00 0.00 C ATOM 682 CD2 TYR A 43 3.608 2.117 0.788 1.00 0.00 C ATOM 683 CE1 TYR A 43 0.993 2.918 0.423 1.00 0.00 C ATOM 684 CE2 TYR A 43 2.817 2.404 1.884 1.00 0.00 C ATOM 685 CZ TYR A 43 1.511 2.805 1.697 1.00 0.00 C ATOM 686 OH TYR A 43 0.719 3.092 2.785 1.00 0.00 O ATOM 0 H TYR A 43 3.605 4.075 -3.711 1.00 0.00 H new ATOM 0 HA TYR A 43 5.338 3.549 -1.431 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.354 1.502 -2.496 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.690 1.128 -1.426 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.382 2.715 -1.663 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.631 1.805 0.939 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.030 3.232 0.279 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.220 2.315 2.882 1.00 0.00 H new ATOM 0 HH TYR A 43 0.966 3.968 3.148 1.00 0.00 H new ATOM 696 N THR A 44 6.977 2.568 -3.015 1.00 0.00 N ATOM 697 CA THR A 44 7.987 2.160 -3.983 1.00 0.00 C ATOM 698 C THR A 44 7.994 0.646 -4.164 1.00 0.00 C ATOM 699 O THR A 44 7.648 -0.100 -3.248 1.00 0.00 O ATOM 700 CB THR A 44 9.394 2.621 -3.557 1.00 0.00 C ATOM 701 OG1 THR A 44 9.297 3.780 -2.722 1.00 0.00 O ATOM 702 CG2 THR A 44 10.251 2.936 -4.773 1.00 0.00 C ATOM 0 H THR A 44 7.340 2.755 -2.080 1.00 0.00 H new ATOM 0 HA THR A 44 7.728 2.636 -4.929 1.00 0.00 H new ATOM 0 HB THR A 44 9.865 1.811 -3.000 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.195 4.066 -2.454 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.240 3.259 -4.447 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.347 2.044 -5.392 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.782 3.731 -5.353 1.00 0.00 H new ATOM 710 N VAL A 45 8.391 0.198 -5.350 1.00 0.00 N ATOM 711 CA VAL A 45 8.446 -1.228 -5.651 1.00 0.00 C ATOM 712 C VAL A 45 9.514 -1.529 -6.696 1.00 0.00 C ATOM 713 O VAL A 45 9.376 -1.161 -7.862 1.00 0.00 O ATOM 714 CB VAL A 45 7.087 -1.747 -6.157 1.00 0.00 C ATOM 715 CG1 VAL A 45 6.497 -0.790 -7.182 1.00 0.00 C ATOM 716 CG2 VAL A 45 7.235 -3.143 -6.742 1.00 0.00 C ATOM 0 H VAL A 45 8.680 0.802 -6.119 1.00 0.00 H new ATOM 0 HA VAL A 45 8.698 -1.738 -4.721 1.00 0.00 H new ATOM 0 HB VAL A 45 6.401 -1.803 -5.311 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.537 -1.174 -7.528 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.353 0.189 -6.725 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.177 -0.699 -8.029 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.265 -3.494 -7.095 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.936 -3.116 -7.576 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.610 -3.821 -5.975 1.00 0.00 H new ATOM 726 N GLU A 46 10.578 -2.202 -6.270 1.00 0.00 N ATOM 727 CA GLU A 46 11.670 -2.552 -7.170 1.00 0.00 C ATOM 728 C GLU A 46 11.155 -3.344 -8.368 1.00 0.00 C ATOM 729 O GLU A 46 9.968 -3.660 -8.453 1.00 0.00 O ATOM 730 CB GLU A 46 12.733 -3.365 -6.427 1.00 0.00 C ATOM 731 CG GLU A 46 14.156 -3.017 -6.828 1.00 0.00 C ATOM 732 CD GLU A 46 14.801 -4.092 -7.681 1.00 0.00 C ATOM 733 OE1 GLU A 46 14.746 -5.275 -7.284 1.00 0.00 O ATOM 734 OE2 GLU A 46 15.361 -3.751 -8.743 1.00 0.00 O ATOM 0 H GLU A 46 10.707 -2.515 -5.308 1.00 0.00 H new ATOM 0 HA GLU A 46 12.118 -1.627 -7.533 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.617 -3.205 -5.355 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.562 -4.426 -6.611 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.155 -2.075 -7.377 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.755 -2.862 -5.931 1.00 0.00 H new ATOM 741 N SER A 47 12.056 -3.661 -9.293 1.00 0.00 N ATOM 742 CA SER A 47 11.692 -4.412 -10.489 1.00 0.00 C ATOM 743 C SER A 47 11.614 -5.906 -10.189 1.00 0.00 C ATOM 744 O SER A 47 10.983 -6.666 -10.923 1.00 0.00 O ATOM 745 CB SER A 47 12.706 -4.157 -11.605 1.00 0.00 C ATOM 746 OG SER A 47 12.178 -4.522 -12.868 1.00 0.00 O ATOM 0 H SER A 47 13.043 -3.409 -9.237 1.00 0.00 H new ATOM 0 HA SER A 47 10.709 -4.073 -10.816 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.983 -3.103 -11.614 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.616 -4.724 -11.410 1.00 0.00 H new ATOM 0 HG SER A 47 12.845 -4.348 -13.564 1.00 0.00 H new ATOM 752 N GLY A 48 12.262 -6.321 -9.104 1.00 0.00 N ATOM 753 CA GLY A 48 12.254 -7.722 -8.726 1.00 0.00 C ATOM 754 C GLY A 48 11.576 -7.958 -7.391 1.00 0.00 C ATOM 755 O GLY A 48 12.236 -8.251 -6.393 1.00 0.00 O ATOM 0 H GLY A 48 12.792 -5.712 -8.481 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.744 -8.300 -9.496 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.279 -8.088 -8.679 1.00 0.00 H new ATOM 759 N THR A 49 10.253 -7.829 -7.369 1.00 0.00 N ATOM 760 CA THR A 49 9.486 -8.027 -6.147 1.00 0.00 C ATOM 761 C THR A 49 8.238 -8.863 -6.410 1.00 0.00 C ATOM 762 O THR A 49 7.879 -9.111 -7.560 1.00 0.00 O ATOM 763 CB THR A 49 9.067 -6.683 -5.522 1.00 0.00 C ATOM 764 OG1 THR A 49 10.000 -5.661 -5.888 1.00 0.00 O ATOM 765 CG2 THR A 49 8.993 -6.791 -4.006 1.00 0.00 C ATOM 0 H THR A 49 9.691 -7.588 -8.185 1.00 0.00 H new ATOM 0 HA THR A 49 10.135 -8.557 -5.450 1.00 0.00 H new ATOM 0 HB THR A 49 8.078 -6.424 -5.900 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.700 -5.224 -6.712 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.695 -5.830 -3.587 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.260 -7.550 -3.731 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.970 -7.071 -3.613 1.00 0.00 H new ATOM 773 N GLU A 50 7.582 -9.293 -5.337 1.00 0.00 N ATOM 774 CA GLU A 50 6.374 -10.102 -5.454 1.00 0.00 C ATOM 775 C GLU A 50 5.170 -9.369 -4.869 1.00 0.00 C ATOM 776 O GLU A 50 5.317 -8.486 -4.024 1.00 0.00 O ATOM 777 CB GLU A 50 6.562 -11.445 -4.746 1.00 0.00 C ATOM 778 CG GLU A 50 6.978 -12.571 -5.677 1.00 0.00 C ATOM 779 CD GLU A 50 5.950 -13.685 -5.741 1.00 0.00 C ATOM 780 OE1 GLU A 50 4.863 -13.455 -6.312 1.00 0.00 O ATOM 781 OE2 GLU A 50 6.232 -14.784 -5.221 1.00 0.00 O ATOM 0 H GLU A 50 7.866 -9.095 -4.378 1.00 0.00 H new ATOM 0 HA GLU A 50 6.189 -10.282 -6.513 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.315 -11.333 -3.966 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.630 -11.719 -4.252 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.136 -12.170 -6.678 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.931 -12.980 -5.343 1.00 0.00 H new ATOM 788 N VAL A 51 3.979 -9.742 -5.325 1.00 0.00 N ATOM 789 CA VAL A 51 2.749 -9.122 -4.847 1.00 0.00 C ATOM 790 C VAL A 51 2.551 -9.371 -3.356 1.00 0.00 C ATOM 791 O VAL A 51 1.754 -8.697 -2.703 1.00 0.00 O ATOM 792 CB VAL A 51 1.520 -9.649 -5.612 1.00 0.00 C ATOM 793 CG1 VAL A 51 0.290 -8.817 -5.285 1.00 0.00 C ATOM 794 CG2 VAL A 51 1.788 -9.656 -7.110 1.00 0.00 C ATOM 0 H VAL A 51 3.840 -10.471 -6.025 1.00 0.00 H new ATOM 0 HA VAL A 51 2.846 -8.051 -5.024 1.00 0.00 H new ATOM 0 HB VAL A 51 1.329 -10.674 -5.296 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.568 -9.204 -5.835 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.089 -8.869 -4.215 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.466 -7.780 -5.571 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.910 -10.031 -7.635 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.006 -8.642 -7.445 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.641 -10.300 -7.324 1.00 0.00 H new ATOM 804 N THR A 52 3.283 -10.343 -2.822 1.00 0.00 N ATOM 805 CA THR A 52 3.188 -10.683 -1.408 1.00 0.00 C ATOM 806 C THR A 52 4.200 -9.893 -0.584 1.00 0.00 C ATOM 807 O THR A 52 4.016 -9.697 0.616 1.00 0.00 O ATOM 808 CB THR A 52 3.416 -12.188 -1.175 1.00 0.00 C ATOM 809 OG1 THR A 52 3.439 -12.468 0.229 1.00 0.00 O ATOM 810 CG2 THR A 52 4.723 -12.642 -1.809 1.00 0.00 C ATOM 0 H THR A 52 3.949 -10.909 -3.348 1.00 0.00 H new ATOM 0 HA THR A 52 2.179 -10.423 -1.087 1.00 0.00 H new ATOM 0 HB THR A 52 2.596 -12.734 -1.641 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.583 -13.427 0.369 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.862 -13.708 -1.631 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.691 -12.454 -2.882 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.553 -12.089 -1.368 1.00 0.00 H new ATOM 818 N GLU A 53 5.266 -9.443 -1.238 1.00 0.00 N ATOM 819 CA GLU A 53 6.306 -8.675 -0.564 1.00 0.00 C ATOM 820 C GLU A 53 5.777 -7.314 -0.122 1.00 0.00 C ATOM 821 O GLU A 53 6.217 -6.762 0.887 1.00 0.00 O ATOM 822 CB GLU A 53 7.513 -8.490 -1.486 1.00 0.00 C ATOM 823 CG GLU A 53 8.838 -8.851 -0.835 1.00 0.00 C ATOM 824 CD GLU A 53 9.436 -10.126 -1.396 1.00 0.00 C ATOM 825 OE1 GLU A 53 9.112 -11.213 -0.873 1.00 0.00 O ATOM 826 OE2 GLU A 53 10.228 -10.038 -2.358 1.00 0.00 O ATOM 0 H GLU A 53 5.432 -9.597 -2.233 1.00 0.00 H new ATOM 0 HA GLU A 53 6.616 -9.230 0.321 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.376 -9.103 -2.377 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.551 -7.452 -1.817 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.543 -8.031 -0.975 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.692 -8.965 0.239 1.00 0.00 H new ATOM 833 N PHE A 54 4.830 -6.778 -0.884 1.00 0.00 N ATOM 834 CA PHE A 54 4.241 -5.480 -0.573 1.00 0.00 C ATOM 835 C PHE A 54 3.245 -5.597 0.576 1.00 0.00 C ATOM 836 O PHE A 54 2.898 -4.604 1.215 1.00 0.00 O ATOM 837 CB PHE A 54 3.547 -4.902 -1.808 1.00 0.00 C ATOM 838 CG PHE A 54 4.281 -5.173 -3.090 1.00 0.00 C ATOM 839 CD1 PHE A 54 5.624 -4.854 -3.216 1.00 0.00 C ATOM 840 CD2 PHE A 54 3.629 -5.746 -4.170 1.00 0.00 C ATOM 841 CE1 PHE A 54 6.301 -5.101 -4.395 1.00 0.00 C ATOM 842 CE2 PHE A 54 4.301 -5.997 -5.351 1.00 0.00 C ATOM 843 CZ PHE A 54 5.640 -5.674 -5.463 1.00 0.00 C ATOM 0 H PHE A 54 4.454 -7.222 -1.722 1.00 0.00 H new ATOM 0 HA PHE A 54 5.043 -4.808 -0.268 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.542 -5.319 -1.879 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.437 -3.825 -1.682 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.147 -4.407 -2.383 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.582 -6.000 -4.088 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.347 -4.846 -4.481 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.781 -6.445 -6.185 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.168 -5.869 -6.384 1.00 0.00 H new ATOM 853 N ALA A 55 2.788 -6.818 0.833 1.00 0.00 N ATOM 854 CA ALA A 55 1.832 -7.066 1.906 1.00 0.00 C ATOM 855 C ALA A 55 2.493 -6.926 3.273 1.00 0.00 C ATOM 856 O ALA A 55 1.817 -6.731 4.284 1.00 0.00 O ATOM 857 CB ALA A 55 1.216 -8.449 1.755 1.00 0.00 C ATOM 0 H ALA A 55 3.064 -7.651 0.313 1.00 0.00 H new ATOM 0 HA ALA A 55 1.042 -6.319 1.835 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.504 -8.621 2.563 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.700 -8.515 0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.001 -9.204 1.797 1.00 0.00 H new ATOM 863 N CYS A 56 3.818 -7.028 3.298 1.00 0.00 N ATOM 864 CA CYS A 56 4.570 -6.914 4.542 1.00 0.00 C ATOM 865 C CYS A 56 5.325 -5.590 4.602 1.00 0.00 C ATOM 866 O CYS A 56 6.144 -5.369 5.494 1.00 0.00 O ATOM 867 CB CYS A 56 5.551 -8.080 4.678 1.00 0.00 C ATOM 868 SG CYS A 56 5.344 -9.045 6.193 1.00 0.00 S ATOM 0 H CYS A 56 4.393 -7.189 2.471 1.00 0.00 H new ATOM 0 HA CYS A 56 3.862 -6.946 5.370 1.00 0.00 H new ATOM 0 HB2 CYS A 56 5.434 -8.742 3.820 1.00 0.00 H new ATOM 0 HB3 CYS A 56 6.569 -7.691 4.644 1.00 0.00 H new ATOM 0 HG CYS A 56 6.216 -10.009 6.216 1.00 0.00 H new ATOM 874 N VAL A 57 5.045 -4.711 3.645 1.00 0.00 N ATOM 875 CA VAL A 57 5.697 -3.409 3.588 1.00 0.00 C ATOM 876 C VAL A 57 4.678 -2.279 3.682 1.00 0.00 C ATOM 877 O VAL A 57 4.969 -1.208 4.215 1.00 0.00 O ATOM 878 CB VAL A 57 6.511 -3.245 2.290 1.00 0.00 C ATOM 879 CG1 VAL A 57 7.138 -1.860 2.224 1.00 0.00 C ATOM 880 CG2 VAL A 57 7.576 -4.326 2.189 1.00 0.00 C ATOM 0 H VAL A 57 4.370 -4.878 2.898 1.00 0.00 H new ATOM 0 HA VAL A 57 6.373 -3.356 4.441 1.00 0.00 H new ATOM 0 HB VAL A 57 5.835 -3.353 1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.709 -1.763 1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.353 -1.104 2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.802 -1.720 3.077 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.141 -4.195 1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.251 -4.252 3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.100 -5.307 2.187 1.00 0.00 H new ATOM 890 N VAL A 58 3.480 -2.525 3.160 1.00 0.00 N ATOM 891 CA VAL A 58 2.416 -1.529 3.187 1.00 0.00 C ATOM 892 C VAL A 58 1.534 -1.699 4.419 1.00 0.00 C ATOM 893 O VAL A 58 0.791 -0.792 4.793 1.00 0.00 O ATOM 894 CB VAL A 58 1.537 -1.613 1.924 1.00 0.00 C ATOM 895 CG1 VAL A 58 0.563 -0.446 1.872 1.00 0.00 C ATOM 896 CG2 VAL A 58 2.403 -1.652 0.674 1.00 0.00 C ATOM 0 H VAL A 58 3.223 -3.405 2.714 1.00 0.00 H new ATOM 0 HA VAL A 58 2.898 -0.552 3.222 1.00 0.00 H new ATOM 0 HB VAL A 58 0.958 -2.536 1.966 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.049 -0.523 0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.080 -0.469 2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.119 0.491 1.854 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.766 -1.711 -0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.010 -0.748 0.623 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.055 -2.525 0.710 1.00 0.00 H new ATOM 906 N ALA A 59 1.621 -2.868 5.045 1.00 0.00 N ATOM 907 CA ALA A 59 0.833 -3.157 6.237 1.00 0.00 C ATOM 908 C ALA A 59 1.443 -2.500 7.471 1.00 0.00 C ATOM 909 O ALA A 59 0.769 -2.314 8.483 1.00 0.00 O ATOM 910 CB ALA A 59 0.716 -4.660 6.440 1.00 0.00 C ATOM 0 H ALA A 59 2.229 -3.630 4.746 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.165 -2.742 6.093 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.125 -4.862 7.334 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.228 -5.107 5.574 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.711 -5.090 6.558 1.00 0.00 H new ATOM 916 N GLU A 60 2.723 -2.153 7.379 1.00 0.00 N ATOM 917 CA GLU A 60 3.423 -1.518 8.489 1.00 0.00 C ATOM 918 C GLU A 60 3.452 -0.002 8.319 1.00 0.00 C ATOM 919 O GLU A 60 3.513 0.742 9.298 1.00 0.00 O ATOM 920 CB GLU A 60 4.851 -2.057 8.596 1.00 0.00 C ATOM 921 CG GLU A 60 5.644 -1.940 7.306 1.00 0.00 C ATOM 922 CD GLU A 60 7.092 -2.360 7.470 1.00 0.00 C ATOM 923 OE1 GLU A 60 7.346 -3.341 8.200 1.00 0.00 O ATOM 924 OE2 GLU A 60 7.970 -1.707 6.869 1.00 0.00 O ATOM 0 H GLU A 60 3.296 -2.301 6.548 1.00 0.00 H new ATOM 0 HA GLU A 60 2.883 -1.753 9.406 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.375 -1.518 9.385 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.813 -3.104 8.896 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.176 -2.557 6.539 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.606 -0.909 6.953 1.00 0.00 H new ATOM 931 N ALA A 61 3.408 0.448 7.070 1.00 0.00 N ATOM 932 CA ALA A 61 3.428 1.875 6.770 1.00 0.00 C ATOM 933 C ALA A 61 2.036 2.483 6.905 1.00 0.00 C ATOM 934 O ALA A 61 1.846 3.680 6.686 1.00 0.00 O ATOM 935 CB ALA A 61 3.977 2.113 5.372 1.00 0.00 C ATOM 0 H ALA A 61 3.358 -0.155 6.249 1.00 0.00 H new ATOM 0 HA ALA A 61 4.081 2.364 7.492 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.986 3.183 5.162 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.993 1.722 5.308 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.346 1.605 4.642 1.00 0.00 H new ATOM 941 N VAL A 62 1.064 1.652 7.267 1.00 0.00 N ATOM 942 CA VAL A 62 -0.311 2.108 7.432 1.00 0.00 C ATOM 943 C VAL A 62 -0.668 2.256 8.907 1.00 0.00 C ATOM 944 O VAL A 62 -1.417 3.155 9.288 1.00 0.00 O ATOM 945 CB VAL A 62 -1.307 1.139 6.768 1.00 0.00 C ATOM 946 CG1 VAL A 62 -1.225 1.243 5.253 1.00 0.00 C ATOM 947 CG2 VAL A 62 -1.048 -0.288 7.227 1.00 0.00 C ATOM 0 H VAL A 62 1.203 0.659 7.452 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.383 3.081 6.945 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.316 1.418 7.073 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.936 0.551 4.802 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.464 2.261 4.945 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.216 0.992 4.925 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.761 -0.959 6.748 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.034 -0.580 6.953 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.163 -0.349 8.309 1.00 0.00 H new ATOM 957 N VAL A 63 -0.127 1.366 9.733 1.00 0.00 N ATOM 958 CA VAL A 63 -0.387 1.398 11.167 1.00 0.00 C ATOM 959 C VAL A 63 0.024 2.736 11.771 1.00 0.00 C ATOM 960 O VAL A 63 -0.815 3.497 12.253 1.00 0.00 O ATOM 961 CB VAL A 63 0.360 0.266 11.898 1.00 0.00 C ATOM 962 CG1 VAL A 63 0.123 0.351 13.398 1.00 0.00 C ATOM 963 CG2 VAL A 63 -0.068 -1.090 11.358 1.00 0.00 C ATOM 0 H VAL A 63 0.494 0.614 9.434 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.460 1.259 11.297 1.00 0.00 H new ATOM 0 HB VAL A 63 1.428 0.383 11.716 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.658 -0.457 13.897 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.484 1.310 13.770 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.944 0.261 13.604 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.470 -1.878 11.886 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.140 -1.219 11.507 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.159 -1.146 10.293 1.00 0.00 H new ATOM 973 N LYS A 64 1.322 3.019 11.740 1.00 0.00 N ATOM 974 CA LYS A 64 1.847 4.267 12.283 1.00 0.00 C ATOM 975 C LYS A 64 1.130 5.468 11.675 1.00 0.00 C ATOM 976 O LYS A 64 0.878 6.464 12.354 1.00 0.00 O ATOM 977 CB LYS A 64 3.351 4.369 12.018 1.00 0.00 C ATOM 978 CG LYS A 64 3.728 4.152 10.563 1.00 0.00 C ATOM 979 CD LYS A 64 4.804 3.088 10.419 1.00 0.00 C ATOM 980 CE LYS A 64 6.151 3.585 10.921 1.00 0.00 C ATOM 981 NZ LYS A 64 7.081 3.894 9.800 1.00 0.00 N ATOM 0 H LYS A 64 2.030 2.401 11.344 1.00 0.00 H new ATOM 0 HA LYS A 64 1.673 4.269 13.359 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.701 5.352 12.333 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.870 3.634 12.633 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.844 3.856 9.997 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.082 5.089 10.134 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.513 2.197 10.976 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.890 2.795 9.373 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.005 4.478 11.529 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.599 2.830 11.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.988 4.230 10.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.241 3.036 9.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.665 4.633 9.198 1.00 0.00 H new ATOM 995 N THR A 65 0.802 5.368 10.390 1.00 0.00 N ATOM 996 CA THR A 65 0.114 6.446 9.691 1.00 0.00 C ATOM 997 C THR A 65 -1.335 6.562 10.151 1.00 0.00 C ATOM 998 O THR A 65 -1.949 7.624 10.039 1.00 0.00 O ATOM 999 CB THR A 65 0.141 6.234 8.166 1.00 0.00 C ATOM 1000 OG1 THR A 65 1.493 6.103 7.714 1.00 0.00 O ATOM 1001 CG2 THR A 65 -0.530 7.394 7.446 1.00 0.00 C ATOM 0 H THR A 65 1.002 4.551 9.813 1.00 0.00 H new ATOM 0 HA THR A 65 0.644 7.368 9.931 1.00 0.00 H new ATOM 0 HB THR A 65 -0.408 5.320 7.939 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.614 5.226 7.293 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.499 7.222 6.370 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.568 7.473 7.771 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.005 8.320 7.681 1.00 0.00 H new ATOM 1009 N LEU A 66 -1.877 5.465 10.668 1.00 0.00 N ATOM 1010 CA LEU A 66 -3.255 5.445 11.146 1.00 0.00 C ATOM 1011 C LEU A 66 -3.311 5.109 12.633 1.00 0.00 C ATOM 1012 O LEU A 66 -3.901 4.105 13.030 1.00 0.00 O ATOM 1013 CB LEU A 66 -4.076 4.428 10.351 1.00 0.00 C ATOM 1014 CG LEU A 66 -4.542 4.878 8.966 1.00 0.00 C ATOM 1015 CD1 LEU A 66 -3.399 4.800 7.966 1.00 0.00 C ATOM 1016 CD2 LEU A 66 -5.720 4.035 8.500 1.00 0.00 C ATOM 0 H LEU A 66 -1.383 4.578 10.767 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.679 6.439 11.001 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.482 3.522 10.236 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.954 4.161 10.939 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.868 5.916 9.033 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.750 5.124 6.986 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.585 5.448 8.292 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.041 3.772 7.902 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.039 4.369 7.513 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.421 2.988 8.450 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.546 4.143 9.203 1.00 0.00 H new ATOM 1028 N GLN A 67 -2.693 5.957 13.449 1.00 0.00 N ATOM 1029 CA GLN A 67 -2.674 5.750 14.893 1.00 0.00 C ATOM 1030 C GLN A 67 -3.171 6.991 15.627 1.00 0.00 C ATOM 1031 O GLN A 67 -2.679 7.347 16.698 1.00 0.00 O ATOM 1032 CB GLN A 67 -1.261 5.398 15.360 1.00 0.00 C ATOM 1033 CG GLN A 67 -0.883 3.946 15.113 1.00 0.00 C ATOM 1034 CD GLN A 67 -0.626 3.183 16.398 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -1.429 3.226 17.330 1.00 0.00 O ATOM 1036 NE2 GLN A 67 0.498 2.479 16.454 1.00 0.00 N ATOM 0 H GLN A 67 -2.199 6.793 13.136 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.343 4.921 15.125 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.547 6.043 14.848 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.176 5.611 16.426 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.683 3.456 14.558 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.009 3.908 14.488 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.135 2.472 15.658 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.724 1.945 17.293 1.00 0.00 H new ATOM 1045 N PRO A 68 -4.169 7.667 15.039 1.00 0.00 N ATOM 1046 CA PRO A 68 -4.754 8.879 15.620 1.00 0.00 C ATOM 1047 C PRO A 68 -5.563 8.586 16.879 1.00 0.00 C ATOM 1048 O PRO A 68 -5.386 9.237 17.909 1.00 0.00 O ATOM 1049 CB PRO A 68 -5.667 9.401 14.508 1.00 0.00 C ATOM 1050 CG PRO A 68 -6.010 8.196 13.703 1.00 0.00 C ATOM 1051 CD PRO A 68 -4.804 7.301 13.762 1.00 0.00 C ATOM 0 HA PRO A 68 -3.990 9.591 15.932 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.561 9.871 14.918 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -5.162 10.152 13.901 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.889 7.694 14.108 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -6.244 8.468 12.674 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.084 6.248 13.740 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.136 7.471 12.918 1.00 0.00 H new ATOM 1059 N VAL A 69 -6.452 7.602 16.790 1.00 0.00 N ATOM 1060 CA VAL A 69 -7.287 7.221 17.923 1.00 0.00 C ATOM 1061 C VAL A 69 -7.734 5.768 17.812 1.00 0.00 C ATOM 1062 O VAL A 69 -8.921 5.482 17.657 1.00 0.00 O ATOM 1063 CB VAL A 69 -8.532 8.122 18.030 1.00 0.00 C ATOM 1064 CG1 VAL A 69 -8.163 9.475 18.621 1.00 0.00 C ATOM 1065 CG2 VAL A 69 -9.188 8.287 16.668 1.00 0.00 C ATOM 0 H VAL A 69 -6.613 7.054 15.945 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.680 7.344 18.820 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.249 7.644 18.698 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -9.055 10.098 18.689 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.742 9.335 19.616 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.428 9.963 17.981 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.066 8.926 16.762 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.480 8.742 15.976 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.489 7.311 16.289 1.00 0.00 H new ATOM 1075 N SER A 70 -6.774 4.852 17.895 1.00 0.00 N ATOM 1076 CA SER A 70 -7.068 3.426 17.801 1.00 0.00 C ATOM 1077 C SER A 70 -8.133 3.023 18.816 1.00 0.00 C ATOM 1078 O SER A 70 -8.874 2.062 18.607 1.00 0.00 O ATOM 1079 CB SER A 70 -5.796 2.606 18.027 1.00 0.00 C ATOM 1080 OG SER A 70 -4.719 3.435 18.426 1.00 0.00 O ATOM 0 H SER A 70 -5.787 5.071 18.027 1.00 0.00 H new ATOM 0 HA SER A 70 -7.450 3.224 16.800 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.978 1.849 18.790 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.532 2.078 17.111 1.00 0.00 H new ATOM 0 HG SER A 70 -3.919 2.887 18.566 1.00 0.00 H new ATOM 1086 N ASP A 71 -8.205 3.765 19.916 1.00 0.00 N ATOM 1087 CA ASP A 71 -9.180 3.487 20.964 1.00 0.00 C ATOM 1088 C ASP A 71 -10.597 3.480 20.399 1.00 0.00 C ATOM 1089 O ASP A 71 -11.500 2.863 20.967 1.00 0.00 O ATOM 1090 CB ASP A 71 -9.068 4.525 22.082 1.00 0.00 C ATOM 1091 CG ASP A 71 -7.809 4.353 22.908 1.00 0.00 C ATOM 1092 OD1 ASP A 71 -7.777 3.438 23.758 1.00 0.00 O ATOM 1093 OD2 ASP A 71 -6.855 5.133 22.705 1.00 0.00 O ATOM 0 H ASP A 71 -7.599 4.564 20.105 1.00 0.00 H new ATOM 0 HA ASP A 71 -8.966 2.500 21.373 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -9.080 5.525 21.648 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -9.939 4.449 22.733 1.00 0.00 H new ATOM 1098 N LEU A 72 -10.786 4.169 19.280 1.00 0.00 N ATOM 1099 CA LEU A 72 -12.094 4.243 18.638 1.00 0.00 C ATOM 1100 C LEU A 72 -12.257 3.133 17.604 1.00 0.00 C ATOM 1101 O LEU A 72 -13.269 2.432 17.585 1.00 0.00 O ATOM 1102 CB LEU A 72 -12.281 5.607 17.973 1.00 0.00 C ATOM 1103 CG LEU A 72 -12.546 6.783 18.915 1.00 0.00 C ATOM 1104 CD1 LEU A 72 -12.323 8.104 18.195 1.00 0.00 C ATOM 1105 CD2 LEU A 72 -13.959 6.710 19.475 1.00 0.00 C ATOM 0 H LEU A 72 -10.050 4.685 18.798 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.856 4.113 19.406 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.388 5.829 17.389 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -13.112 5.536 17.271 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.844 6.723 19.747 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.516 8.929 18.881 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -11.292 8.158 17.844 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.000 8.173 17.344 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -14.130 7.554 20.143 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -14.677 6.744 18.656 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -14.084 5.779 20.028 1.00 0.00 H new ATOM 1117 N LEU A 73 -11.254 2.979 16.747 1.00 0.00 N ATOM 1118 CA LEU A 73 -11.284 1.953 15.711 1.00 0.00 C ATOM 1119 C LEU A 73 -11.589 0.583 16.309 1.00 0.00 C ATOM 1120 O LEU A 73 -12.398 -0.175 15.773 1.00 0.00 O ATOM 1121 CB LEU A 73 -9.948 1.911 14.967 1.00 0.00 C ATOM 1122 CG LEU A 73 -9.702 3.040 13.966 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -9.304 4.318 14.688 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -8.631 2.638 12.961 1.00 0.00 C ATOM 0 H LEU A 73 -10.410 3.552 16.749 1.00 0.00 H new ATOM 0 HA LEU A 73 -12.077 2.207 15.007 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.144 1.924 15.703 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.880 0.961 14.437 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.629 3.227 13.425 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.133 5.110 13.959 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.103 4.616 15.367 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.390 4.145 15.257 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.469 3.454 12.256 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.701 2.423 13.487 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.955 1.750 12.419 1.00 0.00 H new ATOM 1136 N THR A 74 -10.937 0.272 17.425 1.00 0.00 N ATOM 1137 CA THR A 74 -11.138 -1.005 18.098 1.00 0.00 C ATOM 1138 C THR A 74 -12.612 -1.231 18.417 1.00 0.00 C ATOM 1139 O THR A 74 -13.062 -2.370 18.541 1.00 0.00 O ATOM 1140 CB THR A 74 -10.323 -1.088 19.402 1.00 0.00 C ATOM 1141 OG1 THR A 74 -9.055 -0.445 19.229 1.00 0.00 O ATOM 1142 CG2 THR A 74 -10.111 -2.536 19.816 1.00 0.00 C ATOM 0 H THR A 74 -10.265 0.888 17.882 1.00 0.00 H new ATOM 0 HA THR A 74 -10.793 -1.781 17.414 1.00 0.00 H new ATOM 0 HB THR A 74 -10.883 -0.580 20.188 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.157 0.521 19.362 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.533 -2.569 20.739 1.00 0.00 H new ATOM 0 HG22 THR A 74 -11.078 -3.014 19.975 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.570 -3.064 19.030 1.00 0.00 H new ATOM 1150 N ASN A 75 -13.358 -0.140 18.550 1.00 0.00 N ATOM 1151 CA ASN A 75 -14.782 -0.220 18.855 1.00 0.00 C ATOM 1152 C ASN A 75 -15.616 -0.164 17.579 1.00 0.00 C ATOM 1153 O ASN A 75 -16.782 -0.559 17.570 1.00 0.00 O ATOM 1154 CB ASN A 75 -15.188 0.918 19.794 1.00 0.00 C ATOM 1155 CG ASN A 75 -16.138 1.899 19.136 1.00 0.00 C ATOM 1156 OD1 ASN A 75 -17.313 1.597 18.924 1.00 0.00 O ATOM 1157 ND2 ASN A 75 -15.632 3.083 18.808 1.00 0.00 N ATOM 0 H ASN A 75 -13.001 0.810 18.451 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.970 -1.174 19.348 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -15.660 0.501 20.684 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -14.295 1.448 20.126 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -16.223 3.784 18.362 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -14.652 3.291 19.002 1.00 0.00 H new ATOM 1164 N MET A 76 -15.011 0.330 16.504 1.00 0.00 N ATOM 1165 CA MET A 76 -15.697 0.436 15.222 1.00 0.00 C ATOM 1166 C MET A 76 -15.418 -0.786 14.353 1.00 0.00 C ATOM 1167 O MET A 76 -15.526 -0.727 13.129 1.00 0.00 O ATOM 1168 CB MET A 76 -15.261 1.707 14.490 1.00 0.00 C ATOM 1169 CG MET A 76 -15.561 2.984 15.258 1.00 0.00 C ATOM 1170 SD MET A 76 -15.135 4.470 14.330 1.00 0.00 S ATOM 1171 CE MET A 76 -13.346 4.369 14.333 1.00 0.00 C ATOM 0 H MET A 76 -14.047 0.663 16.495 1.00 0.00 H new ATOM 0 HA MET A 76 -16.769 0.485 15.415 1.00 0.00 H new ATOM 0 HB2 MET A 76 -14.190 1.654 14.294 1.00 0.00 H new ATOM 0 HB3 MET A 76 -15.761 1.749 13.522 1.00 0.00 H new ATOM 0 HG2 MET A 76 -16.621 3.010 15.512 1.00 0.00 H new ATOM 0 HG3 MET A 76 -15.009 2.976 16.198 1.00 0.00 H new ATOM 0 HE1 MET A 76 -12.928 5.309 13.972 1.00 0.00 H new ATOM 0 HE2 MET A 76 -12.994 4.181 15.347 1.00 0.00 H new ATOM 0 HE3 MET A 76 -13.026 3.555 13.682 1.00 0.00 H new ATOM 1181 N GLY A 77 -15.058 -1.894 14.995 1.00 0.00 N ATOM 1182 CA GLY A 77 -14.769 -3.114 14.265 1.00 0.00 C ATOM 1183 C GLY A 77 -13.469 -3.031 13.489 1.00 0.00 C ATOM 1184 O GLY A 77 -13.363 -3.564 12.384 1.00 0.00 O ATOM 0 H GLY A 77 -14.962 -1.968 16.008 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.719 -3.949 14.964 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.587 -3.324 13.576 1.00 0.00 H new ATOM 1188 N ILE A 78 -12.479 -2.359 14.066 1.00 0.00 N ATOM 1189 CA ILE A 78 -11.181 -2.208 13.421 1.00 0.00 C ATOM 1190 C ILE A 78 -10.049 -2.280 14.440 1.00 0.00 C ATOM 1191 O ILE A 78 -9.906 -1.400 15.289 1.00 0.00 O ATOM 1192 CB ILE A 78 -11.084 -0.874 12.657 1.00 0.00 C ATOM 1193 CG1 ILE A 78 -12.172 -0.796 11.584 1.00 0.00 C ATOM 1194 CG2 ILE A 78 -9.705 -0.721 12.033 1.00 0.00 C ATOM 1195 CD1 ILE A 78 -12.268 0.559 10.919 1.00 0.00 C ATOM 0 H ILE A 78 -12.551 -1.910 14.979 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.083 -3.031 12.713 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.236 -0.056 13.361 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -11.976 -1.552 10.824 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.134 -1.039 12.035 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -9.651 0.226 11.496 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.947 -0.738 12.816 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.527 -1.542 11.338 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -13.060 0.541 10.170 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.495 1.317 11.669 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -11.319 0.797 10.438 1.00 0.00 H new ATOM 1207 N ASP A 79 -9.246 -3.334 14.350 1.00 0.00 N ATOM 1208 CA ASP A 79 -8.123 -3.521 15.262 1.00 0.00 C ATOM 1209 C ASP A 79 -6.806 -3.158 14.584 1.00 0.00 C ATOM 1210 O ASP A 79 -6.613 -3.422 13.396 1.00 0.00 O ATOM 1211 CB ASP A 79 -8.075 -4.967 15.757 1.00 0.00 C ATOM 1212 CG ASP A 79 -7.673 -5.068 17.215 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -6.896 -4.206 17.677 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -8.137 -6.007 17.895 1.00 0.00 O ATOM 0 H ASP A 79 -9.352 -4.073 13.654 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.266 -2.858 16.115 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.054 -5.427 15.621 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -7.369 -5.533 15.149 1.00 0.00 H new ATOM 1219 N LEU A 80 -5.902 -2.552 15.346 1.00 0.00 N ATOM 1220 CA LEU A 80 -4.602 -2.152 14.819 1.00 0.00 C ATOM 1221 C LEU A 80 -3.572 -3.261 15.008 1.00 0.00 C ATOM 1222 O LEU A 80 -2.658 -3.418 14.199 1.00 0.00 O ATOM 1223 CB LEU A 80 -4.122 -0.873 15.507 1.00 0.00 C ATOM 1224 CG LEU A 80 -3.642 0.247 14.583 1.00 0.00 C ATOM 1225 CD1 LEU A 80 -4.823 0.917 13.898 1.00 0.00 C ATOM 1226 CD2 LEU A 80 -2.825 1.268 15.362 1.00 0.00 C ATOM 0 H LEU A 80 -6.045 -2.327 16.330 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.714 -1.963 13.751 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.936 -0.487 16.120 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.308 -1.132 16.184 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.003 -0.190 13.815 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.462 1.711 13.245 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.367 0.180 13.307 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.488 1.341 14.651 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.492 2.058 14.689 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.440 1.700 16.152 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.957 0.779 15.805 1.00 0.00 H new ATOM 1238 N ASP A 81 -3.729 -4.030 16.081 1.00 0.00 N ATOM 1239 CA ASP A 81 -2.815 -5.127 16.375 1.00 0.00 C ATOM 1240 C ASP A 81 -2.893 -6.203 15.296 1.00 0.00 C ATOM 1241 O ASP A 81 -1.959 -6.985 15.118 1.00 0.00 O ATOM 1242 CB ASP A 81 -3.135 -5.734 17.742 1.00 0.00 C ATOM 1243 CG ASP A 81 -1.992 -5.581 18.726 1.00 0.00 C ATOM 1244 OD1 ASP A 81 -1.720 -4.438 19.148 1.00 0.00 O ATOM 1245 OD2 ASP A 81 -1.369 -6.606 19.074 1.00 0.00 O ATOM 0 H ASP A 81 -4.480 -3.913 16.761 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.801 -4.728 16.392 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.027 -5.257 18.148 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.367 -6.792 17.621 1.00 0.00 H new ATOM 1250 N GLU A 82 -4.013 -6.237 14.581 1.00 0.00 N ATOM 1251 CA GLU A 82 -4.212 -7.219 13.522 1.00 0.00 C ATOM 1252 C GLU A 82 -3.626 -6.723 12.203 1.00 0.00 C ATOM 1253 O GLU A 82 -3.173 -7.515 11.377 1.00 0.00 O ATOM 1254 CB GLU A 82 -5.703 -7.519 13.348 1.00 0.00 C ATOM 1255 CG GLU A 82 -6.432 -6.504 12.485 1.00 0.00 C ATOM 1256 CD GLU A 82 -7.930 -6.507 12.719 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -8.400 -7.320 13.542 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -8.632 -5.696 12.080 1.00 0.00 O ATOM 0 H GLU A 82 -4.795 -5.597 14.716 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.695 -8.135 13.809 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.816 -8.508 12.905 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.175 -7.554 14.330 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.038 -5.509 12.690 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.232 -6.715 11.435 1.00 0.00 H new ATOM 1265 N TRP A 83 -3.638 -5.409 12.014 1.00 0.00 N ATOM 1266 CA TRP A 83 -3.108 -4.807 10.795 1.00 0.00 C ATOM 1267 C TRP A 83 -1.654 -5.209 10.578 1.00 0.00 C ATOM 1268 O TRP A 83 -1.204 -5.353 9.441 1.00 0.00 O ATOM 1269 CB TRP A 83 -3.224 -3.283 10.863 1.00 0.00 C ATOM 1270 CG TRP A 83 -4.600 -2.778 10.548 1.00 0.00 C ATOM 1271 CD1 TRP A 83 -5.752 -3.510 10.504 1.00 0.00 C ATOM 1272 CD2 TRP A 83 -4.966 -1.430 10.233 1.00 0.00 C ATOM 1273 NE1 TRP A 83 -6.812 -2.698 10.180 1.00 0.00 N ATOM 1274 CE2 TRP A 83 -6.356 -1.418 10.009 1.00 0.00 C ATOM 1275 CE3 TRP A 83 -4.255 -0.232 10.119 1.00 0.00 C ATOM 1276 CZ2 TRP A 83 -7.046 -0.255 9.678 1.00 0.00 C ATOM 1277 CZ3 TRP A 83 -4.941 0.921 9.790 1.00 0.00 C ATOM 1278 CH2 TRP A 83 -6.325 0.904 9.573 1.00 0.00 C ATOM 0 H TRP A 83 -4.009 -4.740 12.688 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.696 -5.172 9.953 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -2.941 -2.948 11.861 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.513 -2.840 10.165 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.820 -4.571 10.696 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.781 -3.000 10.083 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -3.188 -0.208 10.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -8.113 -0.267 9.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -4.401 1.852 9.698 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -6.833 1.823 9.318 1.00 0.00 H new ATOM 1289 N SER A 84 -0.924 -5.390 11.674 1.00 0.00 N ATOM 1290 CA SER A 84 0.481 -5.773 11.601 1.00 0.00 C ATOM 1291 C SER A 84 0.624 -7.271 11.353 1.00 0.00 C ATOM 1292 O SER A 84 1.673 -7.742 10.913 1.00 0.00 O ATOM 1293 CB SER A 84 1.204 -5.387 12.894 1.00 0.00 C ATOM 1294 OG SER A 84 1.075 -6.403 13.873 1.00 0.00 O ATOM 0 H SER A 84 -1.282 -5.278 12.622 1.00 0.00 H new ATOM 0 HA SER A 84 0.935 -5.240 10.766 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.259 -5.210 12.686 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.794 -4.453 13.279 1.00 0.00 H new ATOM 0 HG SER A 84 0.141 -6.459 14.165 1.00 0.00 H new ATOM 1300 N VAL A 85 -0.439 -8.016 11.639 1.00 0.00 N ATOM 1301 CA VAL A 85 -0.434 -9.461 11.446 1.00 0.00 C ATOM 1302 C VAL A 85 -1.601 -9.903 10.570 1.00 0.00 C ATOM 1303 O VAL A 85 -2.222 -10.935 10.820 1.00 0.00 O ATOM 1304 CB VAL A 85 -0.507 -10.207 12.792 1.00 0.00 C ATOM 1305 CG1 VAL A 85 0.716 -9.895 13.642 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -1.786 -9.848 13.532 1.00 0.00 C ATOM 0 H VAL A 85 -1.315 -7.643 12.005 1.00 0.00 H new ATOM 0 HA VAL A 85 0.504 -9.710 10.950 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.519 -11.279 12.593 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.647 -10.431 14.589 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.616 -10.208 13.113 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.762 -8.823 13.834 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.820 -10.384 14.480 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.808 -8.775 13.721 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.648 -10.127 12.926 1.00 0.00 H new ATOM 1316 N ALA A 86 -1.893 -9.113 9.541 1.00 0.00 N ATOM 1317 CA ALA A 86 -2.984 -9.424 8.626 1.00 0.00 C ATOM 1318 C ALA A 86 -2.462 -9.674 7.215 1.00 0.00 C ATOM 1319 O ALA A 86 -1.255 -9.637 6.972 1.00 0.00 O ATOM 1320 CB ALA A 86 -4.006 -8.297 8.621 1.00 0.00 C ATOM 0 H ALA A 86 -1.389 -8.254 9.321 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.468 -10.337 8.973 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.815 -8.543 7.933 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.410 -8.168 9.625 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.526 -7.372 8.301 1.00 0.00 H new ATOM 1326 N THR A 87 -3.378 -9.929 6.286 1.00 0.00 N ATOM 1327 CA THR A 87 -3.010 -10.187 4.900 1.00 0.00 C ATOM 1328 C THR A 87 -3.590 -9.127 3.971 1.00 0.00 C ATOM 1329 O THR A 87 -4.778 -9.151 3.650 1.00 0.00 O ATOM 1330 CB THR A 87 -3.493 -11.576 4.439 1.00 0.00 C ATOM 1331 OG1 THR A 87 -3.405 -12.509 5.522 1.00 0.00 O ATOM 1332 CG2 THR A 87 -2.664 -12.075 3.265 1.00 0.00 C ATOM 0 H THR A 87 -4.381 -9.962 6.469 1.00 0.00 H new ATOM 0 HA THR A 87 -1.922 -10.154 4.851 1.00 0.00 H new ATOM 0 HB THR A 87 -4.531 -11.488 4.119 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.715 -13.389 5.222 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.023 -13.057 2.957 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.756 -11.378 2.432 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.618 -12.149 3.563 1.00 0.00 H new ATOM 1340 N PHE A 88 -2.743 -8.197 3.541 1.00 0.00 N ATOM 1341 CA PHE A 88 -3.172 -7.127 2.648 1.00 0.00 C ATOM 1342 C PHE A 88 -3.055 -7.557 1.188 1.00 0.00 C ATOM 1343 O PHE A 88 -1.958 -7.611 0.632 1.00 0.00 O ATOM 1344 CB PHE A 88 -2.337 -5.868 2.889 1.00 0.00 C ATOM 1345 CG PHE A 88 -2.869 -4.998 3.992 1.00 0.00 C ATOM 1346 CD1 PHE A 88 -3.225 -5.547 5.214 1.00 0.00 C ATOM 1347 CD2 PHE A 88 -3.013 -3.633 3.808 1.00 0.00 C ATOM 1348 CE1 PHE A 88 -3.714 -4.750 6.231 1.00 0.00 C ATOM 1349 CE2 PHE A 88 -3.501 -2.830 4.822 1.00 0.00 C ATOM 1350 CZ PHE A 88 -3.853 -3.390 6.035 1.00 0.00 C ATOM 0 H PHE A 88 -1.756 -8.163 3.797 1.00 0.00 H new ATOM 0 HA PHE A 88 -4.218 -6.907 2.861 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.315 -6.160 3.129 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.295 -5.288 1.967 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.119 -6.610 5.373 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -2.741 -3.191 2.861 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.987 -5.190 7.179 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.607 -1.767 4.666 1.00 0.00 H new ATOM 0 HZ PHE A 88 -4.236 -2.765 6.828 1.00 0.00 H new ATOM 1360 N TYR A 89 -4.193 -7.862 0.575 1.00 0.00 N ATOM 1361 CA TYR A 89 -4.219 -8.290 -0.819 1.00 0.00 C ATOM 1362 C TYR A 89 -4.372 -7.094 -1.754 1.00 0.00 C ATOM 1363 O TYR A 89 -5.321 -6.317 -1.638 1.00 0.00 O ATOM 1364 CB TYR A 89 -5.362 -9.280 -1.049 1.00 0.00 C ATOM 1365 CG TYR A 89 -5.413 -10.394 -0.028 1.00 0.00 C ATOM 1366 CD1 TYR A 89 -6.105 -10.237 1.167 1.00 0.00 C ATOM 1367 CD2 TYR A 89 -4.770 -11.604 -0.258 1.00 0.00 C ATOM 1368 CE1 TYR A 89 -6.154 -11.251 2.103 1.00 0.00 C ATOM 1369 CE2 TYR A 89 -4.814 -12.624 0.672 1.00 0.00 C ATOM 1370 CZ TYR A 89 -5.507 -12.443 1.851 1.00 0.00 C ATOM 1371 OH TYR A 89 -5.554 -13.457 2.780 1.00 0.00 O ATOM 0 H TYR A 89 -5.109 -7.821 1.021 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.271 -8.781 -1.039 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.308 -8.740 -1.032 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.261 -9.714 -2.044 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -6.613 -9.305 1.367 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.226 -11.749 -1.180 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -6.696 -11.112 3.027 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.309 -13.558 0.477 1.00 0.00 H new ATOM 0 HH TYR A 89 -5.049 -14.228 2.448 1.00 0.00 H new ATOM 1381 N LEU A 90 -3.431 -6.952 -2.681 1.00 0.00 N ATOM 1382 CA LEU A 90 -3.459 -5.851 -3.637 1.00 0.00 C ATOM 1383 C LEU A 90 -4.029 -6.308 -4.976 1.00 0.00 C ATOM 1384 O LEU A 90 -3.351 -6.976 -5.757 1.00 0.00 O ATOM 1385 CB LEU A 90 -2.052 -5.286 -3.836 1.00 0.00 C ATOM 1386 CG LEU A 90 -1.333 -4.815 -2.571 1.00 0.00 C ATOM 1387 CD1 LEU A 90 -2.295 -4.077 -1.654 1.00 0.00 C ATOM 1388 CD2 LEU A 90 -0.701 -5.995 -1.846 1.00 0.00 C ATOM 0 H LEU A 90 -2.639 -7.586 -2.791 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.104 -5.070 -3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.440 -6.050 -4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.114 -4.447 -4.529 1.00 0.00 H new ATOM 0 HG LEU A 90 -0.540 -4.126 -2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.766 -3.749 -0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.700 -3.209 -2.174 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.110 -4.743 -1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.194 -5.641 -0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.476 -6.708 -1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.020 -6.481 -2.503 1.00 0.00 H new ATOM 1400 N PHE A 91 -5.280 -5.941 -5.237 1.00 0.00 N ATOM 1401 CA PHE A 91 -5.942 -6.312 -6.482 1.00 0.00 C ATOM 1402 C PHE A 91 -5.702 -5.259 -7.560 1.00 0.00 C ATOM 1403 O PHE A 91 -4.990 -4.279 -7.339 1.00 0.00 O ATOM 1404 CB PHE A 91 -7.444 -6.491 -6.253 1.00 0.00 C ATOM 1405 CG PHE A 91 -7.870 -7.928 -6.169 1.00 0.00 C ATOM 1406 CD1 PHE A 91 -8.080 -8.671 -7.319 1.00 0.00 C ATOM 1407 CD2 PHE A 91 -8.062 -8.537 -4.939 1.00 0.00 C ATOM 1408 CE1 PHE A 91 -8.473 -9.994 -7.245 1.00 0.00 C ATOM 1409 CE2 PHE A 91 -8.455 -9.860 -4.858 1.00 0.00 C ATOM 1410 CZ PHE A 91 -8.660 -10.589 -6.012 1.00 0.00 C ATOM 0 H PHE A 91 -5.855 -5.387 -4.603 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.519 -7.257 -6.821 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.726 -5.982 -5.331 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -7.987 -6.006 -7.064 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.935 -8.211 -8.285 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.903 -7.971 -4.033 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -8.634 -10.562 -8.149 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.601 -10.322 -3.893 1.00 0.00 H new ATOM 0 HZ PHE A 91 -8.966 -11.623 -5.951 1.00 0.00 H new ATOM 1420 N ASP A 92 -6.301 -5.469 -8.727 1.00 0.00 N ATOM 1421 CA ASP A 92 -6.154 -4.538 -9.840 1.00 0.00 C ATOM 1422 C ASP A 92 -7.508 -4.225 -10.469 1.00 0.00 C ATOM 1423 O ASP A 92 -8.551 -4.635 -9.958 1.00 0.00 O ATOM 1424 CB ASP A 92 -5.209 -5.116 -10.895 1.00 0.00 C ATOM 1425 CG ASP A 92 -3.818 -5.369 -10.348 1.00 0.00 C ATOM 1426 OD1 ASP A 92 -3.699 -6.104 -9.346 1.00 0.00 O ATOM 1427 OD2 ASP A 92 -2.847 -4.833 -10.923 1.00 0.00 O ATOM 0 H ASP A 92 -6.893 -6.275 -8.927 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.730 -3.611 -9.453 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.622 -6.050 -11.276 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.145 -4.428 -11.738 1.00 0.00 H new ATOM 1432 N ASP A 93 -7.484 -3.497 -11.580 1.00 0.00 N ATOM 1433 CA ASP A 93 -8.710 -3.129 -12.279 1.00 0.00 C ATOM 1434 C ASP A 93 -9.232 -4.296 -13.112 1.00 0.00 C ATOM 1435 O ASP A 93 -10.385 -4.297 -13.542 1.00 0.00 O ATOM 1436 CB ASP A 93 -8.465 -1.915 -13.177 1.00 0.00 C ATOM 1437 CG ASP A 93 -7.854 -2.295 -14.511 1.00 0.00 C ATOM 1438 OD1 ASP A 93 -6.969 -3.176 -14.529 1.00 0.00 O ATOM 1439 OD2 ASP A 93 -8.261 -1.712 -15.538 1.00 0.00 O ATOM 0 H ASP A 93 -6.630 -3.150 -12.016 1.00 0.00 H new ATOM 0 HA ASP A 93 -9.462 -2.874 -11.533 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -9.409 -1.397 -13.347 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.805 -1.215 -12.665 1.00 0.00 H new ATOM 1444 N ALA A 94 -8.375 -5.286 -13.335 1.00 0.00 N ATOM 1445 CA ALA A 94 -8.750 -6.459 -14.115 1.00 0.00 C ATOM 1446 C ALA A 94 -9.219 -7.593 -13.210 1.00 0.00 C ATOM 1447 O ALA A 94 -9.577 -8.671 -13.684 1.00 0.00 O ATOM 1448 CB ALA A 94 -7.581 -6.917 -14.975 1.00 0.00 C ATOM 0 H ALA A 94 -7.416 -5.300 -12.987 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.579 -6.182 -14.766 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.875 -7.794 -15.552 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -7.293 -6.115 -15.655 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -6.736 -7.171 -14.335 1.00 0.00 H new ATOM 1454 N GLY A 95 -9.213 -7.344 -11.904 1.00 0.00 N ATOM 1455 CA GLY A 95 -9.639 -8.354 -10.954 1.00 0.00 C ATOM 1456 C GLY A 95 -8.552 -9.369 -10.661 1.00 0.00 C ATOM 1457 O GLY A 95 -8.838 -10.546 -10.438 1.00 0.00 O ATOM 0 H GLY A 95 -8.920 -6.460 -11.487 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -9.940 -7.870 -10.025 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -10.517 -8.869 -11.345 1.00 0.00 H new ATOM 1461 N GLU A 96 -7.303 -8.915 -10.663 1.00 0.00 N ATOM 1462 CA GLU A 96 -6.171 -9.794 -10.398 1.00 0.00 C ATOM 1463 C GLU A 96 -5.278 -9.216 -9.303 1.00 0.00 C ATOM 1464 O GLU A 96 -5.386 -8.041 -8.957 1.00 0.00 O ATOM 1465 CB GLU A 96 -5.355 -10.011 -11.674 1.00 0.00 C ATOM 1466 CG GLU A 96 -4.854 -8.722 -12.303 1.00 0.00 C ATOM 1467 CD GLU A 96 -4.902 -8.754 -13.818 1.00 0.00 C ATOM 1468 OE1 GLU A 96 -5.860 -9.335 -14.370 1.00 0.00 O ATOM 1469 OE2 GLU A 96 -3.981 -8.198 -14.453 1.00 0.00 O ATOM 0 H GLU A 96 -7.050 -7.944 -10.845 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.561 -10.753 -10.057 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.502 -10.649 -11.445 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.967 -10.546 -12.400 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.456 -7.888 -11.942 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.829 -8.539 -11.980 1.00 0.00 H new ATOM 1476 N GLU A 97 -4.397 -10.053 -8.763 1.00 0.00 N ATOM 1477 CA GLU A 97 -3.487 -9.626 -7.707 1.00 0.00 C ATOM 1478 C GLU A 97 -2.090 -9.369 -8.263 1.00 0.00 C ATOM 1479 O GLU A 97 -1.124 -10.020 -7.868 1.00 0.00 O ATOM 1480 CB GLU A 97 -3.422 -10.682 -6.601 1.00 0.00 C ATOM 1481 CG GLU A 97 -3.113 -10.108 -5.229 1.00 0.00 C ATOM 1482 CD GLU A 97 -3.540 -11.028 -4.102 1.00 0.00 C ATOM 1483 OE1 GLU A 97 -4.757 -11.125 -3.844 1.00 0.00 O ATOM 1484 OE2 GLU A 97 -2.655 -11.651 -3.478 1.00 0.00 O ATOM 0 H GLU A 97 -4.295 -11.029 -9.039 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.869 -8.695 -7.288 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.374 -11.210 -6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.660 -11.418 -6.858 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.043 -9.918 -5.152 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.616 -9.147 -5.119 1.00 0.00 H new ATOM 1491 N ASN A 98 -1.992 -8.416 -9.185 1.00 0.00 N ATOM 1492 CA ASN A 98 -0.714 -8.074 -9.798 1.00 0.00 C ATOM 1493 C ASN A 98 -0.275 -6.670 -9.391 1.00 0.00 C ATOM 1494 O ASN A 98 -0.930 -6.013 -8.582 1.00 0.00 O ATOM 1495 CB ASN A 98 -0.813 -8.168 -11.321 1.00 0.00 C ATOM 1496 CG ASN A 98 -0.996 -9.595 -11.801 1.00 0.00 C ATOM 1497 OD1 ASN A 98 -0.364 -10.519 -11.291 1.00 0.00 O ATOM 1498 ND2 ASN A 98 -1.865 -9.780 -12.788 1.00 0.00 N ATOM 0 H ASN A 98 -2.782 -7.867 -9.524 1.00 0.00 H new ATOM 0 HA ASN A 98 0.032 -8.786 -9.445 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -1.650 -7.561 -11.666 1.00 0.00 H new ATOM 0 HB3 ASN A 98 0.089 -7.750 -11.768 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -2.030 -10.718 -13.153 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -2.367 -8.984 -13.181 1.00 0.00 H new ATOM 1505 N PHE A 99 0.838 -6.217 -9.960 1.00 0.00 N ATOM 1506 CA PHE A 99 1.365 -4.891 -9.657 1.00 0.00 C ATOM 1507 C PHE A 99 1.314 -3.991 -10.888 1.00 0.00 C ATOM 1508 O PHE A 99 2.346 -3.538 -11.382 1.00 0.00 O ATOM 1509 CB PHE A 99 2.804 -4.996 -9.147 1.00 0.00 C ATOM 1510 CG PHE A 99 3.622 -6.027 -9.870 1.00 0.00 C ATOM 1511 CD1 PHE A 99 4.340 -5.690 -11.006 1.00 0.00 C ATOM 1512 CD2 PHE A 99 3.674 -7.335 -9.413 1.00 0.00 C ATOM 1513 CE1 PHE A 99 5.094 -6.637 -11.674 1.00 0.00 C ATOM 1514 CE2 PHE A 99 4.426 -8.286 -10.076 1.00 0.00 C ATOM 1515 CZ PHE A 99 5.137 -7.937 -11.208 1.00 0.00 C ATOM 0 H PHE A 99 1.392 -6.748 -10.632 1.00 0.00 H new ATOM 0 HA PHE A 99 0.742 -4.448 -8.880 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.288 -4.024 -9.246 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.788 -5.237 -8.084 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.310 -4.675 -11.374 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.120 -7.614 -8.529 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.649 -6.361 -12.559 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.458 -9.301 -9.710 1.00 0.00 H new ATOM 0 HZ PHE A 99 5.725 -8.679 -11.728 1.00 0.00 H new ATOM 1525 N SER A 100 0.105 -3.738 -11.378 1.00 0.00 N ATOM 1526 CA SER A 100 -0.082 -2.896 -12.554 1.00 0.00 C ATOM 1527 C SER A 100 0.062 -1.420 -12.195 1.00 0.00 C ATOM 1528 O SER A 100 0.554 -1.077 -11.119 1.00 0.00 O ATOM 1529 CB SER A 100 -1.458 -3.149 -13.175 1.00 0.00 C ATOM 1530 OG SER A 100 -1.507 -2.682 -14.512 1.00 0.00 O ATOM 0 H SER A 100 -0.760 -4.104 -10.979 1.00 0.00 H new ATOM 0 HA SER A 100 0.690 -3.152 -13.280 1.00 0.00 H new ATOM 0 HB2 SER A 100 -1.681 -4.216 -13.151 1.00 0.00 H new ATOM 0 HB3 SER A 100 -2.225 -2.649 -12.583 1.00 0.00 H new ATOM 0 HG SER A 100 -2.395 -2.857 -14.887 1.00 0.00 H new ATOM 1536 N SER A 101 -0.370 -0.551 -13.103 1.00 0.00 N ATOM 1537 CA SER A 101 -0.286 0.888 -12.884 1.00 0.00 C ATOM 1538 C SER A 101 -0.772 1.254 -11.485 1.00 0.00 C ATOM 1539 O SER A 101 -0.132 2.034 -10.779 1.00 0.00 O ATOM 1540 CB SER A 101 -1.111 1.634 -13.935 1.00 0.00 C ATOM 1541 OG SER A 101 -0.331 1.929 -15.080 1.00 0.00 O ATOM 0 H SER A 101 -0.782 -0.818 -13.997 1.00 0.00 H new ATOM 0 HA SER A 101 0.759 1.184 -12.975 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.971 1.030 -14.223 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.500 2.558 -13.508 1.00 0.00 H new ATOM 0 HG SER A 101 -0.881 2.404 -15.737 1.00 0.00 H new ATOM 1547 N ARG A 102 -1.907 0.686 -11.092 1.00 0.00 N ATOM 1548 CA ARG A 102 -2.480 0.953 -9.779 1.00 0.00 C ATOM 1549 C ARG A 102 -2.756 -0.348 -9.031 1.00 0.00 C ATOM 1550 O ARG A 102 -2.527 -1.437 -9.556 1.00 0.00 O ATOM 1551 CB ARG A 102 -3.774 1.758 -9.917 1.00 0.00 C ATOM 1552 CG ARG A 102 -5.010 0.895 -10.116 1.00 0.00 C ATOM 1553 CD ARG A 102 -6.263 1.743 -10.263 1.00 0.00 C ATOM 1554 NE ARG A 102 -7.089 1.308 -11.386 1.00 0.00 N ATOM 1555 CZ ARG A 102 -6.820 1.602 -12.654 1.00 0.00 C ATOM 1556 NH1 ARG A 102 -5.753 2.328 -12.957 1.00 0.00 N ATOM 1557 NH2 ARG A 102 -7.620 1.170 -13.620 1.00 0.00 N ATOM 0 H ARG A 102 -2.448 0.038 -11.664 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.757 1.535 -9.207 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.908 2.370 -9.025 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -3.679 2.441 -10.761 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.883 0.275 -11.003 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -5.124 0.219 -9.268 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -6.846 1.692 -9.343 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.980 2.786 -10.403 1.00 0.00 H new ATOM 0 HE ARG A 102 -7.918 0.748 -11.186 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.136 2.662 -12.216 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.549 2.552 -13.931 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -8.442 0.612 -13.390 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -7.413 1.396 -14.593 1.00 0.00 H new ATOM 1571 N MET A 103 -3.247 -0.226 -7.802 1.00 0.00 N ATOM 1572 CA MET A 103 -3.554 -1.392 -6.983 1.00 0.00 C ATOM 1573 C MET A 103 -4.742 -1.116 -6.066 1.00 0.00 C ATOM 1574 O MET A 103 -5.041 0.037 -5.753 1.00 0.00 O ATOM 1575 CB MET A 103 -2.334 -1.792 -6.150 1.00 0.00 C ATOM 1576 CG MET A 103 -1.624 -3.031 -6.670 1.00 0.00 C ATOM 1577 SD MET A 103 -0.007 -3.275 -5.908 1.00 0.00 S ATOM 1578 CE MET A 103 0.192 -5.045 -6.098 1.00 0.00 C ATOM 0 H MET A 103 -3.441 0.669 -7.352 1.00 0.00 H new ATOM 0 HA MET A 103 -3.816 -2.214 -7.649 1.00 0.00 H new ATOM 0 HB2 MET A 103 -1.629 -0.961 -6.130 1.00 0.00 H new ATOM 0 HB3 MET A 103 -2.648 -1.968 -5.121 1.00 0.00 H new ATOM 0 HG2 MET A 103 -2.245 -3.907 -6.483 1.00 0.00 H new ATOM 0 HG3 MET A 103 -1.504 -2.950 -7.750 1.00 0.00 H new ATOM 0 HE1 MET A 103 0.594 -5.467 -5.177 1.00 0.00 H new ATOM 0 HE2 MET A 103 -0.775 -5.499 -6.313 1.00 0.00 H new ATOM 0 HE3 MET A 103 0.879 -5.248 -6.920 1.00 0.00 H new ATOM 1588 N TYR A 104 -5.415 -2.179 -5.641 1.00 0.00 N ATOM 1589 CA TYR A 104 -6.571 -2.050 -4.762 1.00 0.00 C ATOM 1590 C TYR A 104 -6.336 -2.777 -3.442 1.00 0.00 C ATOM 1591 O TYR A 104 -6.110 -3.987 -3.418 1.00 0.00 O ATOM 1592 CB TYR A 104 -7.822 -2.604 -5.447 1.00 0.00 C ATOM 1593 CG TYR A 104 -8.431 -1.655 -6.454 1.00 0.00 C ATOM 1594 CD1 TYR A 104 -8.636 -0.317 -6.143 1.00 0.00 C ATOM 1595 CD2 TYR A 104 -8.801 -2.097 -7.719 1.00 0.00 C ATOM 1596 CE1 TYR A 104 -9.193 0.553 -7.060 1.00 0.00 C ATOM 1597 CE2 TYR A 104 -9.358 -1.234 -8.643 1.00 0.00 C ATOM 1598 CZ TYR A 104 -9.552 0.090 -8.309 1.00 0.00 C ATOM 1599 OH TYR A 104 -10.106 0.953 -9.226 1.00 0.00 O ATOM 0 H TYR A 104 -5.180 -3.140 -5.891 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.719 -0.991 -4.551 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -7.568 -3.538 -5.948 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.567 -2.842 -4.688 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.355 0.050 -5.167 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.650 -3.133 -7.984 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -9.347 1.590 -6.801 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -9.640 -1.594 -9.621 1.00 0.00 H new ATOM 0 HH TYR A 104 -10.300 0.468 -10.055 1.00 0.00 H new ATOM 1609 N CYS A 105 -6.393 -2.030 -2.345 1.00 0.00 N ATOM 1610 CA CYS A 105 -6.187 -2.601 -1.019 1.00 0.00 C ATOM 1611 C CYS A 105 -7.431 -3.346 -0.548 1.00 0.00 C ATOM 1612 O CYS A 105 -8.425 -2.732 -0.159 1.00 0.00 O ATOM 1613 CB CYS A 105 -5.825 -1.503 -0.018 1.00 0.00 C ATOM 1614 SG CYS A 105 -4.163 -1.655 0.677 1.00 0.00 S ATOM 0 H CYS A 105 -6.580 -1.027 -2.348 1.00 0.00 H new ATOM 0 HA CYS A 105 -5.363 -3.311 -1.081 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -5.914 -0.534 -0.510 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -6.550 -1.515 0.796 1.00 0.00 H new ATOM 0 HG CYS A 105 -4.203 -2.409 1.736 1.00 0.00 H new ATOM 1620 N SER A 106 -7.371 -4.673 -0.587 1.00 0.00 N ATOM 1621 CA SER A 106 -8.495 -5.503 -0.170 1.00 0.00 C ATOM 1622 C SER A 106 -8.162 -6.268 1.107 1.00 0.00 C ATOM 1623 O SER A 106 -7.265 -7.111 1.123 1.00 0.00 O ATOM 1624 CB SER A 106 -8.873 -6.484 -1.282 1.00 0.00 C ATOM 1625 OG SER A 106 -8.570 -5.949 -2.559 1.00 0.00 O ATOM 0 H SER A 106 -6.555 -5.197 -0.903 1.00 0.00 H new ATOM 0 HA SER A 106 -9.343 -4.848 0.030 1.00 0.00 H new ATOM 0 HB2 SER A 106 -8.337 -7.423 -1.141 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.937 -6.713 -1.223 1.00 0.00 H new ATOM 0 HG SER A 106 -9.111 -5.147 -2.714 1.00 0.00 H new ATOM 1631 N PHE A 107 -8.890 -5.967 2.177 1.00 0.00 N ATOM 1632 CA PHE A 107 -8.672 -6.625 3.460 1.00 0.00 C ATOM 1633 C PHE A 107 -8.992 -8.114 3.369 1.00 0.00 C ATOM 1634 O PHE A 107 -8.616 -8.895 4.243 1.00 0.00 O ATOM 1635 CB PHE A 107 -9.532 -5.972 4.544 1.00 0.00 C ATOM 1636 CG PHE A 107 -11.003 -6.000 4.241 1.00 0.00 C ATOM 1637 CD1 PHE A 107 -11.755 -7.136 4.496 1.00 0.00 C ATOM 1638 CD2 PHE A 107 -11.634 -4.891 3.701 1.00 0.00 C ATOM 1639 CE1 PHE A 107 -13.108 -7.164 4.216 1.00 0.00 C ATOM 1640 CE2 PHE A 107 -12.987 -4.913 3.420 1.00 0.00 C ATOM 1641 CZ PHE A 107 -13.725 -6.051 3.679 1.00 0.00 C ATOM 0 H PHE A 107 -9.636 -5.272 2.181 1.00 0.00 H new ATOM 0 HA PHE A 107 -7.620 -6.513 3.724 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -9.355 -6.480 5.492 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -9.216 -4.937 4.673 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -11.279 -8.009 4.918 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -11.061 -3.998 3.497 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -13.683 -8.056 4.417 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -13.466 -4.042 2.999 1.00 0.00 H new ATOM 0 HZ PHE A 107 -14.783 -6.071 3.462 1.00 0.00 H new ATOM 1651 N TYR A 108 -9.689 -8.499 2.306 1.00 0.00 N ATOM 1652 CA TYR A 108 -10.063 -9.894 2.101 1.00 0.00 C ATOM 1653 C TYR A 108 -9.251 -10.515 0.969 1.00 0.00 C ATOM 1654 O TYR A 108 -8.762 -9.828 0.072 1.00 0.00 O ATOM 1655 CB TYR A 108 -11.557 -10.003 1.792 1.00 0.00 C ATOM 1656 CG TYR A 108 -11.949 -9.383 0.470 1.00 0.00 C ATOM 1657 CD1 TYR A 108 -12.091 -8.007 0.339 1.00 0.00 C ATOM 1658 CD2 TYR A 108 -12.176 -10.174 -0.650 1.00 0.00 C ATOM 1659 CE1 TYR A 108 -12.449 -7.438 -0.867 1.00 0.00 C ATOM 1660 CE2 TYR A 108 -12.533 -9.613 -1.861 1.00 0.00 C ATOM 1661 CZ TYR A 108 -12.669 -8.244 -1.964 1.00 0.00 C ATOM 1662 OH TYR A 108 -13.025 -7.680 -3.168 1.00 0.00 O ATOM 0 H TYR A 108 -10.007 -7.865 1.573 1.00 0.00 H new ATOM 0 HA TYR A 108 -9.848 -10.440 3.019 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.843 -11.055 1.789 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.121 -9.521 2.591 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -11.918 -7.372 1.195 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -12.071 -11.246 -0.572 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.556 -6.367 -0.951 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -12.705 -10.242 -2.722 1.00 0.00 H new ATOM 0 HH TYR A 108 -13.141 -8.386 -3.838 1.00 0.00 H new ATOM 1672 N PRO A 109 -9.104 -11.847 1.010 1.00 0.00 N ATOM 1673 CA PRO A 109 -8.354 -12.592 -0.005 1.00 0.00 C ATOM 1674 C PRO A 109 -9.066 -12.614 -1.353 1.00 0.00 C ATOM 1675 O PRO A 109 -10.238 -12.256 -1.469 1.00 0.00 O ATOM 1676 CB PRO A 109 -8.272 -14.005 0.579 1.00 0.00 C ATOM 1677 CG PRO A 109 -9.449 -14.108 1.486 1.00 0.00 C ATOM 1678 CD PRO A 109 -9.660 -12.729 2.050 1.00 0.00 C ATOM 0 HA PRO A 109 -7.382 -12.141 -0.205 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.309 -14.761 -0.206 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -7.339 -14.155 1.122 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -10.331 -14.447 0.943 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -9.267 -14.831 2.281 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -10.716 -12.525 2.228 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -9.146 -12.601 3.002 1.00 0.00 H new ATOM 1686 N PRO A 110 -8.344 -13.044 -2.399 1.00 0.00 N ATOM 1687 CA PRO A 110 -8.888 -13.124 -3.758 1.00 0.00 C ATOM 1688 C PRO A 110 -9.932 -14.226 -3.901 1.00 0.00 C ATOM 1689 O PRO A 110 -11.063 -13.972 -4.316 1.00 0.00 O ATOM 1690 CB PRO A 110 -7.658 -13.437 -4.614 1.00 0.00 C ATOM 1691 CG PRO A 110 -6.710 -14.110 -3.683 1.00 0.00 C ATOM 1692 CD PRO A 110 -6.941 -13.486 -2.334 1.00 0.00 C ATOM 0 HA PRO A 110 -9.403 -12.207 -4.046 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -7.914 -14.083 -5.454 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -7.225 -12.528 -5.032 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -6.890 -15.185 -3.652 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -5.679 -13.969 -4.007 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.782 -14.202 -1.528 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.264 -12.650 -2.156 1.00 0.00 H new ATOM 1700 N ASP A 111 -9.545 -15.449 -3.554 1.00 0.00 N ATOM 1701 CA ASP A 111 -10.449 -16.590 -3.642 1.00 0.00 C ATOM 1702 C ASP A 111 -9.708 -17.893 -3.361 1.00 0.00 C ATOM 1703 O ASP A 111 -10.084 -18.651 -2.468 1.00 0.00 O ATOM 1704 CB ASP A 111 -11.099 -16.647 -5.026 1.00 0.00 C ATOM 1705 CG ASP A 111 -12.607 -16.504 -4.963 1.00 0.00 C ATOM 1706 OD1 ASP A 111 -13.255 -17.336 -4.293 1.00 0.00 O ATOM 1707 OD2 ASP A 111 -13.139 -15.560 -5.583 1.00 0.00 O ATOM 0 H ASP A 111 -8.612 -15.675 -3.209 1.00 0.00 H new ATOM 0 HA ASP A 111 -11.227 -16.465 -2.888 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -10.687 -15.854 -5.651 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -10.846 -17.593 -5.504 1.00 0.00 H new ATOM 1712 N GLU A 112 -8.653 -18.146 -4.130 1.00 0.00 N ATOM 1713 CA GLU A 112 -7.861 -19.359 -3.963 1.00 0.00 C ATOM 1714 C GLU A 112 -8.762 -20.577 -3.781 1.00 0.00 C ATOM 1715 O GLU A 112 -9.484 -20.969 -4.698 1.00 0.00 O ATOM 1716 CB GLU A 112 -6.923 -19.221 -2.762 1.00 0.00 C ATOM 1717 CG GLU A 112 -5.869 -20.313 -2.685 1.00 0.00 C ATOM 1718 CD GLU A 112 -5.140 -20.327 -1.355 1.00 0.00 C ATOM 1719 OE1 GLU A 112 -5.820 -20.312 -0.307 1.00 0.00 O ATOM 1720 OE2 GLU A 112 -3.892 -20.354 -1.361 1.00 0.00 O ATOM 0 H GLU A 112 -8.328 -17.528 -4.873 1.00 0.00 H new ATOM 0 HA GLU A 112 -7.266 -19.500 -4.865 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -6.427 -18.251 -2.808 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -7.514 -19.233 -1.846 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -6.342 -21.282 -2.846 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -5.147 -20.173 -3.490 1.00 0.00 H new