USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 838 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= 0.265 K(o=0.73,f=0.16) USER MOD Set 1.2: A 70 SER OG : rot -169:sc= 0.467 USER MOD Set 2.1: A 40 CYS SG : rot -69:sc= 1.29 USER MOD Set 2.2: A 43 TYR OH : rot -31:sc= 1.56 USER MOD Single : A 1 ALA N :NH3+ -135:sc= -0.0349 (180deg=-1.1) USER MOD Single : A 4 LYS NZ :NH3+ -130:sc= 0.244 (180deg=-0.0702) USER MOD Single : A 7 THR OG1 : rot 78:sc= 0.961 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.236 USER MOD Single : A 17 GLN : amide:sc= -0.636 X(o=-0.64,f=-0.18) 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= -0.103 X(o=-0.1,f=-0.13) USER MOD Single : A 25 THR OG1 : rot -12:sc= 0.767 USER MOD Single : A 34 LYS NZ :NH3+ -126:sc= -0.193 (180deg=-0.806) USER MOD Single : A 37 ASN : amide:sc= -0.269 K(o=-0.27,f=-0.84) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -140:sc= 1.23 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 92:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot -35:sc= 1.23 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 132:sc= 1.24 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0456 USER MOD Single : A 75 ASN : amide:sc= -0.735 X(o=-0.74,f=-1.1) USER MOD Single : A 76 MET CE :methyl -125:sc= -1.21 (180deg=-3.28!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= -0.0676 USER MOD Single : A 98 ASN :FLIP amide:sc= -1.05 F(o=-2.4,f=-1.1) USER MOD Single : A 100 SER OG : rot -162:sc= 1.3 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 177:sc= -5.8! (180deg=-5.85!) USER MOD Single : A 104 TYR OH : rot 157:sc= 0.0396 USER MOD Single : A 105 CYS SG : rot 60:sc= -3.41! USER MOD Single : A 106 SER OG : rot 180:sc= 0.0583 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 13.287 11.233 -6.939 1.00 0.00 N ATOM 2 CA ALA A 1 14.088 10.543 -7.943 1.00 0.00 C ATOM 3 C ALA A 1 14.850 9.374 -7.327 1.00 0.00 C ATOM 4 O ALA A 1 16.068 9.420 -7.151 1.00 0.00 O ATOM 5 CB ALA A 1 15.052 11.514 -8.607 1.00 0.00 C ATOM 0 H1 ALA A 1 12.338 11.420 -7.321 1.00 0.00 H new ATOM 0 H2 ALA A 1 13.208 10.638 -6.089 1.00 0.00 H new ATOM 0 H3 ALA A 1 13.743 12.134 -6.690 1.00 0.00 H new ATOM 0 HA ALA A 1 13.413 10.144 -8.701 1.00 0.00 H new ATOM 0 HB1 ALA A 1 15.644 10.985 -9.354 1.00 0.00 H new ATOM 0 HB2 ALA A 1 14.489 12.313 -9.089 1.00 0.00 H new ATOM 0 HB3 ALA A 1 15.715 11.940 -7.854 1.00 0.00 H new ATOM 11 N PRO A 2 14.119 8.301 -6.991 1.00 0.00 N ATOM 12 CA PRO A 2 14.707 7.100 -6.390 1.00 0.00 C ATOM 13 C PRO A 2 15.574 6.323 -7.376 1.00 0.00 C ATOM 14 O PRO A 2 15.182 5.259 -7.857 1.00 0.00 O ATOM 15 CB PRO A 2 13.485 6.272 -5.985 1.00 0.00 C ATOM 16 CG PRO A 2 12.402 6.720 -6.904 1.00 0.00 C ATOM 17 CD PRO A 2 12.663 8.177 -7.173 1.00 0.00 C ATOM 0 HA PRO A 2 15.369 7.343 -5.559 1.00 0.00 H new ATOM 0 HB2 PRO A 2 13.678 5.204 -6.091 1.00 0.00 H new ATOM 0 HB3 PRO A 2 13.217 6.446 -4.943 1.00 0.00 H new ATOM 0 HG2 PRO A 2 12.413 6.144 -7.830 1.00 0.00 H new ATOM 0 HG3 PRO A 2 11.421 6.576 -6.451 1.00 0.00 H new ATOM 0 HD2 PRO A 2 12.358 8.461 -8.180 1.00 0.00 H new ATOM 0 HD3 PRO A 2 12.115 8.818 -6.482 1.00 0.00 H new ATOM 25 N ILE A 3 16.752 6.861 -7.671 1.00 0.00 N ATOM 26 CA ILE A 3 17.674 6.217 -8.598 1.00 0.00 C ATOM 27 C ILE A 3 18.541 5.185 -7.883 1.00 0.00 C ATOM 28 O ILE A 3 18.832 5.319 -6.695 1.00 0.00 O ATOM 29 CB ILE A 3 18.587 7.246 -9.291 1.00 0.00 C ATOM 30 CG1 ILE A 3 17.754 8.392 -9.868 1.00 0.00 C ATOM 31 CG2 ILE A 3 19.406 6.576 -10.384 1.00 0.00 C ATOM 32 CD1 ILE A 3 18.586 9.483 -10.505 1.00 0.00 C ATOM 0 H ILE A 3 17.091 7.741 -7.282 1.00 0.00 H new ATOM 0 HA ILE A 3 17.066 5.718 -9.352 1.00 0.00 H new ATOM 0 HB ILE A 3 19.273 7.658 -8.551 1.00 0.00 H new ATOM 0 HG12 ILE A 3 17.065 7.991 -10.611 1.00 0.00 H new ATOM 0 HG13 ILE A 3 17.148 8.826 -9.073 1.00 0.00 H new ATOM 0 HG21 ILE A 3 20.046 7.316 -10.864 1.00 0.00 H new ATOM 0 HG22 ILE A 3 20.023 5.791 -9.947 1.00 0.00 H new ATOM 0 HG23 ILE A 3 18.736 6.140 -11.125 1.00 0.00 H new ATOM 0 HD11 ILE A 3 17.929 10.262 -10.892 1.00 0.00 H new ATOM 0 HD12 ILE A 3 19.257 9.911 -9.760 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.172 9.063 -11.322 1.00 0.00 H new ATOM 44 N LYS A 4 18.951 4.156 -8.616 1.00 0.00 N ATOM 45 CA LYS A 4 19.788 3.101 -8.055 1.00 0.00 C ATOM 46 C LYS A 4 21.095 3.673 -7.516 1.00 0.00 C ATOM 47 O LYS A 4 21.777 4.437 -8.198 1.00 0.00 O ATOM 48 CB LYS A 4 20.082 2.037 -9.115 1.00 0.00 C ATOM 49 CG LYS A 4 21.123 1.019 -8.682 1.00 0.00 C ATOM 50 CD LYS A 4 20.606 0.138 -7.557 1.00 0.00 C ATOM 51 CE LYS A 4 19.727 -0.984 -8.088 1.00 0.00 C ATOM 52 NZ LYS A 4 18.283 -0.725 -7.833 1.00 0.00 N ATOM 0 H LYS A 4 18.717 4.030 -9.601 1.00 0.00 H new ATOM 0 HA LYS A 4 19.245 2.641 -7.229 1.00 0.00 H new ATOM 0 HB2 LYS A 4 19.157 1.516 -9.361 1.00 0.00 H new ATOM 0 HB3 LYS A 4 20.423 2.528 -10.026 1.00 0.00 H new ATOM 0 HG2 LYS A 4 21.402 0.398 -9.533 1.00 0.00 H new ATOM 0 HG3 LYS A 4 22.025 1.536 -8.355 1.00 0.00 H new ATOM 0 HD2 LYS A 4 21.448 -0.286 -7.009 1.00 0.00 H new ATOM 0 HD3 LYS A 4 20.038 0.744 -6.851 1.00 0.00 H new ATOM 0 HE2 LYS A 4 19.892 -1.098 -9.159 1.00 0.00 H new ATOM 0 HE3 LYS A 4 20.016 -1.925 -7.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 17.852 -1.563 -7.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 18.184 0.090 -7.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 17.803 -0.520 -8.733 1.00 0.00 H new ATOM 66 N GLY A 5 21.440 3.296 -6.289 1.00 0.00 N ATOM 67 CA GLY A 5 22.665 3.780 -5.680 1.00 0.00 C ATOM 68 C GLY A 5 22.796 5.288 -5.760 1.00 0.00 C ATOM 69 O GLY A 5 22.207 6.013 -4.958 1.00 0.00 O ATOM 0 H GLY A 5 20.893 2.664 -5.705 1.00 0.00 H new ATOM 0 HA2 GLY A 5 22.694 3.471 -4.635 1.00 0.00 H new ATOM 0 HA3 GLY A 5 23.520 3.317 -6.173 1.00 0.00 H new ATOM 73 N VAL A 6 23.572 5.763 -6.730 1.00 0.00 N ATOM 74 CA VAL A 6 23.779 7.194 -6.911 1.00 0.00 C ATOM 75 C VAL A 6 23.853 7.556 -8.390 1.00 0.00 C ATOM 76 O VAL A 6 24.486 8.541 -8.770 1.00 0.00 O ATOM 77 CB VAL A 6 25.068 7.668 -6.214 1.00 0.00 C ATOM 78 CG1 VAL A 6 25.056 9.179 -6.037 1.00 0.00 C ATOM 79 CG2 VAL A 6 25.236 6.968 -4.874 1.00 0.00 C ATOM 0 H VAL A 6 24.067 5.177 -7.402 1.00 0.00 H new ATOM 0 HA VAL A 6 22.924 7.696 -6.459 1.00 0.00 H new ATOM 0 HB VAL A 6 25.918 7.407 -6.845 1.00 0.00 H new ATOM 0 HG11 VAL A 6 25.975 9.495 -5.543 1.00 0.00 H new ATOM 0 HG12 VAL A 6 24.985 9.659 -7.013 1.00 0.00 H new ATOM 0 HG13 VAL A 6 24.199 9.467 -5.428 1.00 0.00 H new ATOM 0 HG21 VAL A 6 26.152 7.314 -4.395 1.00 0.00 H new ATOM 0 HG22 VAL A 6 24.383 7.196 -4.235 1.00 0.00 H new ATOM 0 HG23 VAL A 6 25.294 5.891 -5.031 1.00 0.00 H new ATOM 89 N THR A 7 23.199 6.752 -9.224 1.00 0.00 N ATOM 90 CA THR A 7 23.190 6.986 -10.662 1.00 0.00 C ATOM 91 C THR A 7 22.370 8.222 -11.013 1.00 0.00 C ATOM 92 O THR A 7 21.623 8.740 -10.182 1.00 0.00 O ATOM 93 CB THR A 7 22.623 5.774 -11.425 1.00 0.00 C ATOM 94 OG1 THR A 7 22.707 4.600 -10.611 1.00 0.00 O ATOM 95 CG2 THR A 7 23.380 5.551 -12.726 1.00 0.00 C ATOM 0 H THR A 7 22.669 5.933 -8.927 1.00 0.00 H new ATOM 0 HA THR A 7 24.226 7.143 -10.963 1.00 0.00 H new ATOM 0 HB THR A 7 21.579 5.977 -11.661 1.00 0.00 H new ATOM 0 HG1 THR A 7 21.988 4.611 -9.945 1.00 0.00 H new ATOM 0 HG21 THR A 7 22.962 4.690 -13.247 1.00 0.00 H new ATOM 0 HG22 THR A 7 23.289 6.436 -13.356 1.00 0.00 H new ATOM 0 HG23 THR A 7 24.432 5.367 -12.508 1.00 0.00 H new ATOM 103 N PHE A 8 22.513 8.691 -12.248 1.00 0.00 N ATOM 104 CA PHE A 8 21.785 9.867 -12.709 1.00 0.00 C ATOM 105 C PHE A 8 21.969 10.067 -14.211 1.00 0.00 C ATOM 106 O PHE A 8 23.077 9.955 -14.732 1.00 0.00 O ATOM 107 CB PHE A 8 22.257 11.113 -11.956 1.00 0.00 C ATOM 108 CG PHE A 8 23.656 11.531 -12.307 1.00 0.00 C ATOM 109 CD1 PHE A 8 23.889 12.404 -13.357 1.00 0.00 C ATOM 110 CD2 PHE A 8 24.738 11.052 -11.586 1.00 0.00 C ATOM 111 CE1 PHE A 8 25.176 12.790 -13.682 1.00 0.00 C ATOM 112 CE2 PHE A 8 26.027 11.434 -11.906 1.00 0.00 C ATOM 113 CZ PHE A 8 26.246 12.305 -12.955 1.00 0.00 C ATOM 0 H PHE A 8 23.127 8.274 -12.948 1.00 0.00 H new ATOM 0 HA PHE A 8 20.725 9.709 -12.508 1.00 0.00 H new ATOM 0 HB2 PHE A 8 21.576 11.937 -12.170 1.00 0.00 H new ATOM 0 HB3 PHE A 8 22.201 10.923 -10.884 1.00 0.00 H new ATOM 0 HD1 PHE A 8 23.056 12.787 -13.928 1.00 0.00 H new ATOM 0 HD2 PHE A 8 24.572 10.372 -10.764 1.00 0.00 H new ATOM 0 HE1 PHE A 8 25.345 13.470 -14.504 1.00 0.00 H new ATOM 0 HE2 PHE A 8 26.862 11.052 -11.337 1.00 0.00 H new ATOM 0 HZ PHE A 8 27.252 12.607 -13.207 1.00 0.00 H new ATOM 123 N GLY A 9 20.871 10.363 -14.901 1.00 0.00 N ATOM 124 CA GLY A 9 20.932 10.574 -16.336 1.00 0.00 C ATOM 125 C GLY A 9 21.614 9.430 -17.061 1.00 0.00 C ATOM 126 O GLY A 9 22.765 9.551 -17.478 1.00 0.00 O ATOM 0 H GLY A 9 19.942 10.460 -14.492 1.00 0.00 H new ATOM 0 HA2 GLY A 9 19.921 10.696 -16.726 1.00 0.00 H new ATOM 0 HA3 GLY A 9 21.467 11.501 -16.542 1.00 0.00 H new ATOM 130 N GLU A 10 20.902 8.317 -17.210 1.00 0.00 N ATOM 131 CA GLU A 10 21.447 7.147 -17.887 1.00 0.00 C ATOM 132 C GLU A 10 20.788 6.951 -19.249 1.00 0.00 C ATOM 133 O GLU A 10 21.469 6.818 -20.267 1.00 0.00 O ATOM 134 CB GLU A 10 21.252 5.896 -17.029 1.00 0.00 C ATOM 135 CG GLU A 10 22.424 5.600 -16.108 1.00 0.00 C ATOM 136 CD GLU A 10 23.616 5.025 -16.848 1.00 0.00 C ATOM 137 OE1 GLU A 10 23.472 4.708 -18.048 1.00 0.00 O ATOM 138 OE2 GLU A 10 24.692 4.891 -16.229 1.00 0.00 O ATOM 0 H GLU A 10 19.947 8.202 -16.871 1.00 0.00 H new ATOM 0 HA GLU A 10 22.514 7.311 -18.039 1.00 0.00 H new ATOM 0 HB2 GLU A 10 20.350 6.015 -16.429 1.00 0.00 H new ATOM 0 HB3 GLU A 10 21.089 5.039 -17.683 1.00 0.00 H new ATOM 0 HG2 GLU A 10 22.724 6.517 -15.601 1.00 0.00 H new ATOM 0 HG3 GLU A 10 22.107 4.898 -15.336 1.00 0.00 H new ATOM 145 N ASP A 11 19.460 6.933 -19.260 1.00 0.00 N ATOM 146 CA ASP A 11 18.708 6.753 -20.496 1.00 0.00 C ATOM 147 C ASP A 11 17.237 7.102 -20.293 1.00 0.00 C ATOM 148 O ASP A 11 16.663 7.887 -21.049 1.00 0.00 O ATOM 149 CB ASP A 11 18.839 5.313 -20.993 1.00 0.00 C ATOM 150 CG ASP A 11 18.788 5.215 -22.505 1.00 0.00 C ATOM 151 OD1 ASP A 11 18.007 5.968 -23.123 1.00 0.00 O ATOM 152 OD2 ASP A 11 19.531 4.386 -23.071 1.00 0.00 O ATOM 0 H ASP A 11 18.882 7.041 -18.427 1.00 0.00 H new ATOM 0 HA ASP A 11 19.123 7.427 -21.246 1.00 0.00 H new ATOM 0 HB2 ASP A 11 19.779 4.893 -20.636 1.00 0.00 H new ATOM 0 HB3 ASP A 11 18.038 4.710 -20.566 1.00 0.00 H new ATOM 157 N THR A 12 16.630 6.513 -19.267 1.00 0.00 N ATOM 158 CA THR A 12 15.226 6.760 -18.965 1.00 0.00 C ATOM 159 C THR A 12 14.804 6.043 -17.688 1.00 0.00 C ATOM 160 O THR A 12 15.553 5.233 -17.142 1.00 0.00 O ATOM 161 CB THR A 12 14.314 6.305 -20.121 1.00 0.00 C ATOM 162 OG1 THR A 12 12.960 6.686 -19.856 1.00 0.00 O ATOM 163 CG2 THR A 12 14.394 4.797 -20.311 1.00 0.00 C ATOM 0 H THR A 12 17.090 5.861 -18.631 1.00 0.00 H new ATOM 0 HA THR A 12 15.117 7.836 -18.828 1.00 0.00 H new ATOM 0 HB THR A 12 14.655 6.790 -21.036 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.387 6.395 -20.596 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.742 4.499 -21.132 1.00 0.00 H new ATOM 0 HG22 THR A 12 15.421 4.513 -20.541 1.00 0.00 H new ATOM 0 HG23 THR A 12 14.076 4.298 -19.396 1.00 0.00 H new ATOM 171 N VAL A 13 13.599 6.346 -17.215 1.00 0.00 N ATOM 172 CA VAL A 13 13.076 5.729 -16.002 1.00 0.00 C ATOM 173 C VAL A 13 12.372 4.414 -16.314 1.00 0.00 C ATOM 174 O VAL A 13 12.044 4.132 -17.466 1.00 0.00 O ATOM 175 CB VAL A 13 12.093 6.666 -15.275 1.00 0.00 C ATOM 176 CG1 VAL A 13 12.027 6.326 -13.793 1.00 0.00 C ATOM 177 CG2 VAL A 13 12.492 8.119 -15.479 1.00 0.00 C ATOM 0 H VAL A 13 12.967 7.015 -17.654 1.00 0.00 H new ATOM 0 HA VAL A 13 13.929 5.535 -15.352 1.00 0.00 H new ATOM 0 HB VAL A 13 11.100 6.522 -15.701 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.328 6.998 -13.296 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.690 5.297 -13.671 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.016 6.439 -13.349 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.786 8.767 -14.958 1.00 0.00 H new ATOM 0 HG22 VAL A 13 13.494 8.280 -15.082 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.482 8.353 -16.544 1.00 0.00 H new ATOM 187 N TRP A 14 12.143 3.612 -15.280 1.00 0.00 N ATOM 188 CA TRP A 14 11.477 2.325 -15.443 1.00 0.00 C ATOM 189 C TRP A 14 12.288 1.403 -16.347 1.00 0.00 C ATOM 190 O TRP A 14 11.769 0.416 -16.866 1.00 0.00 O ATOM 191 CB TRP A 14 10.075 2.523 -16.023 1.00 0.00 C ATOM 192 CG TRP A 14 9.119 3.161 -15.060 1.00 0.00 C ATOM 193 CD1 TRP A 14 9.165 4.441 -14.586 1.00 0.00 C ATOM 194 CD2 TRP A 14 7.977 2.547 -14.453 1.00 0.00 C ATOM 195 NE1 TRP A 14 8.120 4.659 -13.721 1.00 0.00 N ATOM 196 CE2 TRP A 14 7.376 3.513 -13.623 1.00 0.00 C ATOM 197 CE3 TRP A 14 7.402 1.276 -14.532 1.00 0.00 C ATOM 198 CZ2 TRP A 14 6.231 3.246 -12.878 1.00 0.00 C ATOM 199 CZ3 TRP A 14 6.266 1.012 -13.792 1.00 0.00 C ATOM 200 CH2 TRP A 14 5.689 1.993 -12.974 1.00 0.00 C ATOM 0 H TRP A 14 12.409 3.830 -14.320 1.00 0.00 H new ATOM 0 HA TRP A 14 11.394 1.860 -14.461 1.00 0.00 H new ATOM 0 HB2 TRP A 14 10.144 3.140 -16.919 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.677 1.556 -16.332 1.00 0.00 H new ATOM 0 HD1 TRP A 14 9.913 5.174 -14.852 1.00 0.00 H new ATOM 0 HE1 TRP A 14 7.929 5.533 -13.231 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.838 0.514 -15.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.786 4.001 -12.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.814 0.032 -13.845 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.800 1.756 -12.409 1.00 0.00 H new ATOM 211 N GLU A 15 13.563 1.733 -16.530 1.00 0.00 N ATOM 212 CA GLU A 15 14.445 0.933 -17.372 1.00 0.00 C ATOM 213 C GLU A 15 15.823 0.788 -16.734 1.00 0.00 C ATOM 214 O GLU A 15 16.447 -0.270 -16.810 1.00 0.00 O ATOM 215 CB GLU A 15 14.576 1.567 -18.758 1.00 0.00 C ATOM 216 CG GLU A 15 13.396 1.283 -19.672 1.00 0.00 C ATOM 217 CD GLU A 15 13.634 1.751 -21.095 1.00 0.00 C ATOM 218 OE1 GLU A 15 14.715 1.453 -21.645 1.00 0.00 O ATOM 219 OE2 GLU A 15 12.739 2.415 -21.658 1.00 0.00 O ATOM 0 H GLU A 15 14.008 2.548 -16.107 1.00 0.00 H new ATOM 0 HA GLU A 15 14.006 -0.059 -17.474 1.00 0.00 H new ATOM 0 HB2 GLU A 15 14.686 2.646 -18.646 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.487 1.201 -19.231 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.193 0.212 -19.675 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.508 1.775 -19.276 1.00 0.00 H new ATOM 226 N VAL A 16 16.293 1.861 -16.104 1.00 0.00 N ATOM 227 CA VAL A 16 17.597 1.854 -15.452 1.00 0.00 C ATOM 228 C VAL A 16 17.480 2.254 -13.986 1.00 0.00 C ATOM 229 O VAL A 16 18.215 1.754 -13.136 1.00 0.00 O ATOM 230 CB VAL A 16 18.581 2.808 -16.156 1.00 0.00 C ATOM 231 CG1 VAL A 16 20.017 2.385 -15.889 1.00 0.00 C ATOM 232 CG2 VAL A 16 18.299 2.855 -17.650 1.00 0.00 C ATOM 0 H VAL A 16 15.790 2.745 -16.032 1.00 0.00 H new ATOM 0 HA VAL A 16 17.979 0.835 -15.518 1.00 0.00 H new ATOM 0 HB VAL A 16 18.442 3.811 -15.751 1.00 0.00 H new ATOM 0 HG11 VAL A 16 20.698 3.070 -16.394 1.00 0.00 H new ATOM 0 HG12 VAL A 16 20.209 2.407 -14.816 1.00 0.00 H new ATOM 0 HG13 VAL A 16 20.174 1.374 -16.265 1.00 0.00 H new ATOM 0 HG21 VAL A 16 19.003 3.533 -18.132 1.00 0.00 H new ATOM 0 HG22 VAL A 16 18.410 1.856 -18.073 1.00 0.00 H new ATOM 0 HG23 VAL A 16 17.282 3.209 -17.817 1.00 0.00 H new ATOM 242 N GLN A 17 16.550 3.159 -13.697 1.00 0.00 N ATOM 243 CA GLN A 17 16.336 3.626 -12.333 1.00 0.00 C ATOM 244 C GLN A 17 16.210 2.451 -11.368 1.00 0.00 C ATOM 245 O GLN A 17 16.779 2.466 -10.278 1.00 0.00 O ATOM 246 CB GLN A 17 15.082 4.498 -12.260 1.00 0.00 C ATOM 247 CG GLN A 17 14.425 4.506 -10.889 1.00 0.00 C ATOM 248 CD GLN A 17 13.357 5.574 -10.759 1.00 0.00 C ATOM 249 OE1 GLN A 17 13.655 6.735 -10.476 1.00 0.00 O ATOM 250 NE2 GLN A 17 12.104 5.187 -10.967 1.00 0.00 N ATOM 0 H GLN A 17 15.933 3.583 -14.390 1.00 0.00 H new ATOM 0 HA GLN A 17 17.201 4.221 -12.041 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.344 5.520 -12.534 1.00 0.00 H new ATOM 0 HB3 GLN A 17 14.361 4.145 -12.997 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.981 3.529 -10.697 1.00 0.00 H new ATOM 0 HG3 GLN A 17 15.187 4.665 -10.126 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.903 4.214 -11.199 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.343 5.862 -10.894 1.00 0.00 H new ATOM 259 N GLY A 18 15.459 1.434 -11.778 1.00 0.00 N ATOM 260 CA GLY A 18 15.271 0.265 -10.939 1.00 0.00 C ATOM 261 C GLY A 18 14.184 0.466 -9.901 1.00 0.00 C ATOM 262 O GLY A 18 14.301 -0.009 -8.770 1.00 0.00 O ATOM 0 H GLY A 18 14.977 1.399 -12.676 1.00 0.00 H new ATOM 0 HA2 GLY A 18 15.018 -0.591 -11.565 1.00 0.00 H new ATOM 0 HA3 GLY A 18 16.209 0.027 -10.437 1.00 0.00 H new ATOM 266 N TYR A 19 13.126 1.172 -10.283 1.00 0.00 N ATOM 267 CA TYR A 19 12.017 1.438 -9.375 1.00 0.00 C ATOM 268 C TYR A 19 10.726 1.686 -10.151 1.00 0.00 C ATOM 269 O TYR A 19 10.743 1.856 -11.370 1.00 0.00 O ATOM 270 CB TYR A 19 12.332 2.645 -8.490 1.00 0.00 C ATOM 271 CG TYR A 19 13.080 2.289 -7.225 1.00 0.00 C ATOM 272 CD1 TYR A 19 12.415 1.754 -6.129 1.00 0.00 C ATOM 273 CD2 TYR A 19 14.452 2.488 -7.126 1.00 0.00 C ATOM 274 CE1 TYR A 19 13.093 1.428 -4.971 1.00 0.00 C ATOM 275 CE2 TYR A 19 15.139 2.163 -5.972 1.00 0.00 C ATOM 276 CZ TYR A 19 14.455 1.634 -4.897 1.00 0.00 C ATOM 277 OH TYR A 19 15.136 1.310 -3.746 1.00 0.00 O ATOM 0 H TYR A 19 13.013 1.570 -11.215 1.00 0.00 H new ATOM 0 HA TYR A 19 11.879 0.560 -8.744 1.00 0.00 H new ATOM 0 HB2 TYR A 19 12.923 3.360 -9.062 1.00 0.00 H new ATOM 0 HB3 TYR A 19 11.400 3.143 -8.223 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.349 1.590 -6.184 1.00 0.00 H new ATOM 0 HD2 TYR A 19 14.990 2.904 -7.965 1.00 0.00 H new ATOM 0 HE1 TYR A 19 12.560 1.014 -4.128 1.00 0.00 H new ATOM 0 HE2 TYR A 19 16.206 2.322 -5.912 1.00 0.00 H new ATOM 0 HH TYR A 19 16.087 1.516 -3.860 1.00 0.00 H new ATOM 287 N LYS A 20 9.608 1.705 -9.434 1.00 0.00 N ATOM 288 CA LYS A 20 8.306 1.933 -10.051 1.00 0.00 C ATOM 289 C LYS A 20 7.438 2.829 -9.173 1.00 0.00 C ATOM 290 O LYS A 20 7.882 3.314 -8.134 1.00 0.00 O ATOM 291 CB LYS A 20 7.596 0.601 -10.300 1.00 0.00 C ATOM 292 CG LYS A 20 8.156 -0.175 -11.479 1.00 0.00 C ATOM 293 CD LYS A 20 9.404 -0.951 -11.095 1.00 0.00 C ATOM 294 CE LYS A 20 9.339 -2.390 -11.583 1.00 0.00 C ATOM 295 NZ LYS A 20 10.147 -2.594 -12.817 1.00 0.00 N ATOM 0 H LYS A 20 9.577 1.565 -8.424 1.00 0.00 H new ATOM 0 HA LYS A 20 8.466 2.435 -11.005 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.670 -0.014 -9.403 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.536 0.790 -10.471 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.399 -0.864 -11.854 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.390 0.514 -12.291 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.282 -0.462 -11.517 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.522 -0.938 -10.012 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.699 -3.056 -10.799 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.301 -2.660 -11.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.077 -3.587 -13.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.788 -1.977 -13.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.142 -2.360 -12.623 1.00 0.00 H new ATOM 309 N ASN A 21 6.197 3.042 -9.599 1.00 0.00 N ATOM 310 CA ASN A 21 5.265 3.878 -8.850 1.00 0.00 C ATOM 311 C ASN A 21 3.869 3.264 -8.842 1.00 0.00 C ATOM 312 O ASN A 21 3.291 2.993 -9.895 1.00 0.00 O ATOM 313 CB ASN A 21 5.212 5.284 -9.452 1.00 0.00 C ATOM 314 CG ASN A 21 6.567 5.965 -9.450 1.00 0.00 C ATOM 315 OD1 ASN A 21 6.942 6.624 -8.480 1.00 0.00 O ATOM 316 ND2 ASN A 21 7.310 5.809 -10.540 1.00 0.00 N ATOM 0 H ASN A 21 5.814 2.648 -10.458 1.00 0.00 H new ATOM 0 HA ASN A 21 5.620 3.943 -7.821 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.840 5.225 -10.475 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.503 5.891 -8.889 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.231 6.244 -10.596 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.960 5.254 -11.321 1.00 0.00 H new ATOM 323 N VAL A 22 3.331 3.047 -7.646 1.00 0.00 N ATOM 324 CA VAL A 22 2.002 2.466 -7.499 1.00 0.00 C ATOM 325 C VAL A 22 1.266 3.071 -6.308 1.00 0.00 C ATOM 326 O VAL A 22 1.863 3.327 -5.262 1.00 0.00 O ATOM 327 CB VAL A 22 2.073 0.938 -7.322 1.00 0.00 C ATOM 328 CG1 VAL A 22 0.681 0.356 -7.132 1.00 0.00 C ATOM 329 CG2 VAL A 22 2.770 0.296 -8.513 1.00 0.00 C ATOM 0 H VAL A 22 3.796 3.265 -6.764 1.00 0.00 H new ATOM 0 HA VAL A 22 1.455 2.693 -8.414 1.00 0.00 H new ATOM 0 HB VAL A 22 2.656 0.721 -6.427 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.752 -0.725 -7.009 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.222 0.793 -6.245 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.070 0.582 -8.006 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.812 -0.784 -8.371 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.216 0.522 -9.424 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.783 0.690 -8.598 1.00 0.00 H new ATOM 339 N ARG A 23 -0.033 3.295 -6.474 1.00 0.00 N ATOM 340 CA ARG A 23 -0.851 3.870 -5.413 1.00 0.00 C ATOM 341 C ARG A 23 -1.785 2.821 -4.817 1.00 0.00 C ATOM 342 O ARG A 23 -2.030 1.778 -5.424 1.00 0.00 O ATOM 343 CB ARG A 23 -1.665 5.049 -5.949 1.00 0.00 C ATOM 344 CG ARG A 23 -1.015 6.400 -5.703 1.00 0.00 C ATOM 345 CD ARG A 23 -2.055 7.483 -5.460 1.00 0.00 C ATOM 346 NE ARG A 23 -1.752 8.708 -6.194 1.00 0.00 N ATOM 347 CZ ARG A 23 -2.657 9.639 -6.476 1.00 0.00 C ATOM 348 NH1 ARG A 23 -3.915 9.484 -6.087 1.00 0.00 N ATOM 349 NH2 ARG A 23 -2.304 10.727 -7.148 1.00 0.00 N ATOM 0 H ARG A 23 -0.542 3.087 -7.333 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.184 4.226 -4.627 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.816 4.918 -7.020 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.651 5.040 -5.484 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.350 6.333 -4.842 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.400 6.671 -6.561 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.037 7.116 -5.758 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.107 7.703 -4.394 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.793 8.857 -6.508 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.190 8.649 -5.570 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.608 10.200 -6.305 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.337 10.849 -7.449 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.000 11.441 -7.364 1.00 0.00 H new ATOM 363 N ILE A 24 -2.303 3.105 -3.627 1.00 0.00 N ATOM 364 CA ILE A 24 -3.210 2.186 -2.951 1.00 0.00 C ATOM 365 C ILE A 24 -4.485 2.898 -2.509 1.00 0.00 C ATOM 366 O ILE A 24 -4.438 3.863 -1.746 1.00 0.00 O ATOM 367 CB ILE A 24 -2.545 1.541 -1.721 1.00 0.00 C ATOM 368 CG1 ILE A 24 -1.116 1.108 -2.056 1.00 0.00 C ATOM 369 CG2 ILE A 24 -3.364 0.353 -1.238 1.00 0.00 C ATOM 370 CD1 ILE A 24 -1.041 0.055 -3.140 1.00 0.00 C ATOM 0 H ILE A 24 -2.110 3.964 -3.111 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.461 1.406 -3.669 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.503 2.279 -0.920 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.545 1.982 -2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.641 0.723 -1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.881 -0.092 -0.368 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.365 0.688 -0.966 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.433 -0.389 -2.034 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.002 -0.203 -3.325 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.584 -0.835 -2.821 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.486 0.443 -4.056 1.00 0.00 H new ATOM 382 N THR A 25 -5.624 2.414 -2.994 1.00 0.00 N ATOM 383 CA THR A 25 -6.912 3.003 -2.649 1.00 0.00 C ATOM 384 C THR A 25 -8.054 2.036 -2.940 1.00 0.00 C ATOM 385 O THR A 25 -8.635 2.054 -4.026 1.00 0.00 O ATOM 386 CB THR A 25 -7.155 4.314 -3.421 1.00 0.00 C ATOM 387 OG1 THR A 25 -6.135 5.267 -3.103 1.00 0.00 O ATOM 388 CG2 THR A 25 -8.521 4.894 -3.086 1.00 0.00 C ATOM 0 H THR A 25 -5.681 1.616 -3.627 1.00 0.00 H new ATOM 0 HA THR A 25 -6.885 3.219 -1.581 1.00 0.00 H new ATOM 0 HB THR A 25 -7.124 4.092 -4.488 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.622 4.952 -2.330 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.670 5.819 -3.643 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.297 4.178 -3.358 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.576 5.101 -2.017 1.00 0.00 H new ATOM 396 N PHE A 26 -8.373 1.193 -1.964 1.00 0.00 N ATOM 397 CA PHE A 26 -9.446 0.218 -2.115 1.00 0.00 C ATOM 398 C PHE A 26 -10.531 0.435 -1.065 1.00 0.00 C ATOM 399 O PHE A 26 -11.596 0.975 -1.361 1.00 0.00 O ATOM 400 CB PHE A 26 -8.891 -1.204 -2.006 1.00 0.00 C ATOM 401 CG PHE A 26 -9.957 -2.262 -1.974 1.00 0.00 C ATOM 402 CD1 PHE A 26 -10.619 -2.632 -3.134 1.00 0.00 C ATOM 403 CD2 PHE A 26 -10.297 -2.887 -0.785 1.00 0.00 C ATOM 404 CE1 PHE A 26 -11.599 -3.606 -3.109 1.00 0.00 C ATOM 405 CE2 PHE A 26 -11.276 -3.862 -0.754 1.00 0.00 C ATOM 406 CZ PHE A 26 -11.929 -4.221 -1.917 1.00 0.00 C ATOM 0 H PHE A 26 -7.903 1.166 -1.059 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.889 0.353 -3.102 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.228 -1.393 -2.850 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.286 -1.281 -1.103 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -10.366 -2.153 -4.069 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -9.791 -2.609 0.128 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -12.106 -3.886 -4.020 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -11.530 -4.343 0.179 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.696 -4.981 -1.894 1.00 0.00 H new ATOM 416 N GLU A 27 -10.251 0.010 0.164 1.00 0.00 N ATOM 417 CA GLU A 27 -11.203 0.157 1.258 1.00 0.00 C ATOM 418 C GLU A 27 -10.643 -0.432 2.549 1.00 0.00 C ATOM 419 O GLU A 27 -10.491 -1.648 2.677 1.00 0.00 O ATOM 420 CB GLU A 27 -12.527 -0.525 0.906 1.00 0.00 C ATOM 421 CG GLU A 27 -13.670 0.449 0.675 1.00 0.00 C ATOM 422 CD GLU A 27 -15.000 -0.085 1.170 1.00 0.00 C ATOM 423 OE1 GLU A 27 -15.515 -1.048 0.564 1.00 0.00 O ATOM 424 OE2 GLU A 27 -15.527 0.461 2.162 1.00 0.00 O ATOM 0 H GLU A 27 -9.373 -0.438 0.426 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.380 1.222 1.411 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.388 -1.129 0.009 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.800 -1.208 1.711 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.449 1.389 1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.745 0.670 -0.390 1.00 0.00 H new ATOM 431 N LEU A 28 -10.336 0.438 3.505 1.00 0.00 N ATOM 432 CA LEU A 28 -9.791 0.006 4.787 1.00 0.00 C ATOM 433 C LEU A 28 -10.658 0.500 5.941 1.00 0.00 C ATOM 434 O LEU A 28 -11.143 -0.292 6.750 1.00 0.00 O ATOM 435 CB LEU A 28 -8.360 0.518 4.955 1.00 0.00 C ATOM 436 CG LEU A 28 -7.251 -0.522 4.788 1.00 0.00 C ATOM 437 CD1 LEU A 28 -7.435 -1.295 3.491 1.00 0.00 C ATOM 438 CD2 LEU A 28 -5.884 0.146 4.823 1.00 0.00 C ATOM 0 H LEU A 28 -10.455 1.447 3.416 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.784 -1.084 4.801 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.194 1.316 4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.268 0.962 5.946 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.311 -1.226 5.618 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.637 -2.030 3.389 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.398 -1.805 3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.402 -0.605 2.648 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.107 -0.609 4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.813 0.872 4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.752 0.654 5.778 1.00 0.00 H new ATOM 450 N ASP A 29 -10.851 1.812 6.010 1.00 0.00 N ATOM 451 CA ASP A 29 -11.663 2.412 7.063 1.00 0.00 C ATOM 452 C ASP A 29 -12.817 3.213 6.469 1.00 0.00 C ATOM 453 O ASP A 29 -12.968 3.291 5.250 1.00 0.00 O ATOM 454 CB ASP A 29 -10.802 3.314 7.949 1.00 0.00 C ATOM 455 CG ASP A 29 -9.498 2.654 8.353 1.00 0.00 C ATOM 456 OD1 ASP A 29 -8.580 2.589 7.510 1.00 0.00 O ATOM 457 OD2 ASP A 29 -9.397 2.201 9.513 1.00 0.00 O ATOM 0 H ASP A 29 -10.456 2.481 5.349 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.078 1.608 7.671 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.587 4.242 7.418 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -11.363 3.582 8.844 1.00 0.00 H new ATOM 462 N GLU A 30 -13.628 3.806 7.339 1.00 0.00 N ATOM 463 CA GLU A 30 -14.770 4.600 6.900 1.00 0.00 C ATOM 464 C GLU A 30 -14.599 6.064 7.294 1.00 0.00 C ATOM 465 O GLU A 30 -15.125 6.961 6.635 1.00 0.00 O ATOM 466 CB GLU A 30 -16.065 4.047 7.500 1.00 0.00 C ATOM 467 CG GLU A 30 -16.604 2.830 6.767 1.00 0.00 C ATOM 468 CD GLU A 30 -17.954 3.086 6.126 1.00 0.00 C ATOM 469 OE1 GLU A 30 -17.981 3.578 4.978 1.00 0.00 O ATOM 470 OE2 GLU A 30 -18.983 2.795 6.771 1.00 0.00 O ATOM 0 H GLU A 30 -13.516 3.752 8.351 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.826 4.538 5.813 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.889 3.784 8.543 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -16.823 4.830 7.492 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.892 2.529 5.998 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.690 1.998 7.466 1.00 0.00 H new ATOM 477 N ARG A 31 -13.860 6.298 8.374 1.00 0.00 N ATOM 478 CA ARG A 31 -13.620 7.652 8.857 1.00 0.00 C ATOM 479 C ARG A 31 -12.157 8.044 8.672 1.00 0.00 C ATOM 480 O ARG A 31 -11.852 9.137 8.195 1.00 0.00 O ATOM 481 CB ARG A 31 -14.007 7.765 10.333 1.00 0.00 C ATOM 482 CG ARG A 31 -15.303 8.525 10.566 1.00 0.00 C ATOM 483 CD ARG A 31 -16.424 7.593 10.999 1.00 0.00 C ATOM 484 NE ARG A 31 -17.683 8.306 11.196 1.00 0.00 N ATOM 485 CZ ARG A 31 -17.915 9.120 12.220 1.00 0.00 C ATOM 486 NH1 ARG A 31 -16.977 9.322 13.135 1.00 0.00 N ATOM 487 NH2 ARG A 31 -19.086 9.733 12.330 1.00 0.00 N ATOM 0 H ARG A 31 -13.417 5.567 8.931 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.237 8.334 8.273 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.102 6.764 10.753 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.202 8.262 10.874 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -15.147 9.288 11.329 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -15.592 9.043 9.652 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -16.561 6.817 10.246 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -16.142 7.093 11.925 1.00 0.00 H new ATOM 0 HE ARG A 31 -18.425 8.172 10.509 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -16.075 8.852 13.053 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -17.157 9.947 13.920 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -19.810 9.580 11.628 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -19.263 10.358 13.117 1.00 0.00 H new ATOM 501 N VAL A 32 -11.256 7.145 9.055 1.00 0.00 N ATOM 502 CA VAL A 32 -9.825 7.397 8.931 1.00 0.00 C ATOM 503 C VAL A 32 -9.259 6.744 7.675 1.00 0.00 C ATOM 504 O VAL A 32 -8.159 6.190 7.693 1.00 0.00 O ATOM 505 CB VAL A 32 -9.055 6.876 10.159 1.00 0.00 C ATOM 506 CG1 VAL A 32 -9.543 7.561 11.426 1.00 0.00 C ATOM 507 CG2 VAL A 32 -9.194 5.365 10.273 1.00 0.00 C ATOM 0 H VAL A 32 -11.491 6.236 9.454 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.698 8.478 8.864 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.999 7.113 10.031 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.987 7.180 12.283 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.387 8.636 11.341 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.605 7.358 11.563 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.644 5.014 11.146 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.247 5.103 10.378 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.791 4.894 9.376 1.00 0.00 H new ATOM 517 N ASP A 33 -10.017 6.812 6.587 1.00 0.00 N ATOM 518 CA ASP A 33 -9.590 6.229 5.320 1.00 0.00 C ATOM 519 C ASP A 33 -8.794 7.237 4.498 1.00 0.00 C ATOM 520 O ASP A 33 -7.872 6.871 3.769 1.00 0.00 O ATOM 521 CB ASP A 33 -10.803 5.746 4.522 1.00 0.00 C ATOM 522 CG ASP A 33 -10.505 4.497 3.716 1.00 0.00 C ATOM 523 OD1 ASP A 33 -9.693 3.670 4.181 1.00 0.00 O ATOM 524 OD2 ASP A 33 -11.086 4.346 2.621 1.00 0.00 O ATOM 0 H ASP A 33 -10.930 7.265 6.556 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.946 5.377 5.539 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.628 5.546 5.206 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.131 6.539 3.850 1.00 0.00 H new ATOM 529 N LYS A 34 -9.157 8.510 4.619 1.00 0.00 N ATOM 530 CA LYS A 34 -8.477 9.573 3.888 1.00 0.00 C ATOM 531 C LYS A 34 -7.084 9.821 4.459 1.00 0.00 C ATOM 532 O LYS A 34 -6.207 10.346 3.774 1.00 0.00 O ATOM 533 CB LYS A 34 -9.299 10.862 3.941 1.00 0.00 C ATOM 534 CG LYS A 34 -8.888 11.799 5.064 1.00 0.00 C ATOM 535 CD LYS A 34 -9.219 11.215 6.427 1.00 0.00 C ATOM 536 CE LYS A 34 -10.602 11.641 6.895 1.00 0.00 C ATOM 537 NZ LYS A 34 -10.705 13.118 7.050 1.00 0.00 N ATOM 0 H LYS A 34 -9.919 8.830 5.217 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.374 9.258 2.850 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.202 11.384 2.989 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.352 10.607 4.059 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.818 11.996 5.002 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.395 12.756 4.944 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.169 10.127 6.380 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.473 11.537 7.153 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.349 11.298 6.179 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.828 11.159 7.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.042 13.344 8.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.770 13.549 6.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.375 13.495 6.350 1.00 0.00 H new ATOM 551 N VAL A 35 -6.888 9.438 5.717 1.00 0.00 N ATOM 552 CA VAL A 35 -5.601 9.617 6.378 1.00 0.00 C ATOM 553 C VAL A 35 -4.534 8.725 5.754 1.00 0.00 C ATOM 554 O VAL A 35 -3.337 8.981 5.891 1.00 0.00 O ATOM 555 CB VAL A 35 -5.697 9.308 7.884 1.00 0.00 C ATOM 556 CG1 VAL A 35 -4.383 9.631 8.580 1.00 0.00 C ATOM 557 CG2 VAL A 35 -6.847 10.078 8.514 1.00 0.00 C ATOM 0 H VAL A 35 -7.604 9.002 6.298 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.319 10.662 6.246 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.894 8.243 8.007 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.470 9.406 9.643 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.584 9.030 8.146 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.153 10.688 8.450 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.900 9.847 9.578 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.684 11.148 8.382 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.783 9.792 8.034 1.00 0.00 H new ATOM 567 N LEU A 36 -4.974 7.676 5.068 1.00 0.00 N ATOM 568 CA LEU A 36 -4.057 6.745 4.421 1.00 0.00 C ATOM 569 C LEU A 36 -4.132 6.873 2.902 1.00 0.00 C ATOM 570 O LEU A 36 -3.527 6.088 2.173 1.00 0.00 O ATOM 571 CB LEU A 36 -4.377 5.309 4.839 1.00 0.00 C ATOM 572 CG LEU A 36 -5.529 4.634 4.094 1.00 0.00 C ATOM 573 CD1 LEU A 36 -4.995 3.695 3.024 1.00 0.00 C ATOM 574 CD2 LEU A 36 -6.426 3.882 5.067 1.00 0.00 C ATOM 0 H LEU A 36 -5.961 7.449 4.946 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.044 6.992 4.739 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.480 4.704 4.705 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.608 5.305 5.904 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.123 5.407 3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.829 3.224 2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.395 4.260 2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.377 2.927 3.489 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.240 3.408 4.519 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.844 3.119 5.583 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.837 4.580 5.796 1.00 0.00 H new ATOM 586 N ASN A 37 -4.876 7.870 2.434 1.00 0.00 N ATOM 587 CA ASN A 37 -5.028 8.102 1.002 1.00 0.00 C ATOM 588 C ASN A 37 -4.410 9.437 0.599 1.00 0.00 C ATOM 589 O ASN A 37 -4.084 9.654 -0.568 1.00 0.00 O ATOM 590 CB ASN A 37 -6.508 8.074 0.614 1.00 0.00 C ATOM 591 CG ASN A 37 -6.771 8.760 -0.713 1.00 0.00 C ATOM 592 OD1 ASN A 37 -6.142 8.443 -1.723 1.00 0.00 O ATOM 593 ND2 ASN A 37 -7.704 9.705 -0.715 1.00 0.00 N ATOM 0 H ASN A 37 -5.383 8.530 3.025 1.00 0.00 H new ATOM 0 HA ASN A 37 -4.505 7.305 0.472 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.847 7.039 0.558 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.094 8.560 1.394 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.925 10.202 -1.578 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.200 9.934 0.147 1.00 0.00 H new ATOM 600 N GLU A 38 -4.252 10.328 1.573 1.00 0.00 N ATOM 601 CA GLU A 38 -3.673 11.642 1.318 1.00 0.00 C ATOM 602 C GLU A 38 -2.362 11.816 2.080 1.00 0.00 C ATOM 603 O GLU A 38 -1.495 12.593 1.678 1.00 0.00 O ATOM 604 CB GLU A 38 -4.657 12.743 1.718 1.00 0.00 C ATOM 605 CG GLU A 38 -4.640 13.065 3.203 1.00 0.00 C ATOM 606 CD GLU A 38 -5.662 14.119 3.583 1.00 0.00 C ATOM 607 OE1 GLU A 38 -6.843 13.962 3.209 1.00 0.00 O ATOM 608 OE2 GLU A 38 -5.281 15.102 4.253 1.00 0.00 O ATOM 0 H GLU A 38 -4.516 10.164 2.544 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.466 11.719 0.251 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.425 13.648 1.156 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.664 12.440 1.432 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.834 12.155 3.771 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.645 13.410 3.485 1.00 0.00 H new ATOM 615 N LYS A 39 -2.224 11.087 3.182 1.00 0.00 N ATOM 616 CA LYS A 39 -1.020 11.159 4.001 1.00 0.00 C ATOM 617 C LYS A 39 -0.042 10.048 3.629 1.00 0.00 C ATOM 618 O LYS A 39 1.110 10.051 4.065 1.00 0.00 O ATOM 619 CB LYS A 39 -1.381 11.059 5.485 1.00 0.00 C ATOM 620 CG LYS A 39 -0.804 12.183 6.328 1.00 0.00 C ATOM 621 CD LYS A 39 -1.278 12.099 7.769 1.00 0.00 C ATOM 622 CE LYS A 39 -2.523 12.943 7.996 1.00 0.00 C ATOM 623 NZ LYS A 39 -2.185 14.362 8.295 1.00 0.00 N ATOM 0 H LYS A 39 -2.931 10.439 3.529 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.540 12.120 3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.466 11.060 5.587 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.025 10.105 5.874 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.285 12.139 6.299 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.095 13.144 5.904 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.490 11.061 8.024 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.483 12.435 8.435 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.157 12.900 7.111 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.099 12.525 8.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.060 14.904 8.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.601 14.406 9.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.657 14.769 7.496 1.00 0.00 H new ATOM 637 N CYS A 40 -0.509 9.102 2.822 1.00 0.00 N ATOM 638 CA CYS A 40 0.325 7.985 2.391 1.00 0.00 C ATOM 639 C CYS A 40 -0.420 7.103 1.395 1.00 0.00 C ATOM 640 O CYS A 40 -0.961 6.059 1.758 1.00 0.00 O ATOM 641 CB CYS A 40 0.765 7.154 3.597 1.00 0.00 C ATOM 642 SG CYS A 40 1.771 5.713 3.174 1.00 0.00 S ATOM 0 H CYS A 40 -1.460 9.086 2.453 1.00 0.00 H new ATOM 0 HA CYS A 40 1.208 8.392 1.899 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.330 7.791 4.277 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.121 6.819 4.137 1.00 0.00 H new ATOM 0 HG CYS A 40 1.036 4.838 2.554 1.00 0.00 H new ATOM 648 N SER A 41 -0.446 7.532 0.136 1.00 0.00 N ATOM 649 CA SER A 41 -1.130 6.784 -0.912 1.00 0.00 C ATOM 650 C SER A 41 -0.147 6.340 -1.992 1.00 0.00 C ATOM 651 O SER A 41 -0.337 5.306 -2.633 1.00 0.00 O ATOM 652 CB SER A 41 -2.239 7.634 -1.534 1.00 0.00 C ATOM 653 OG SER A 41 -1.827 8.982 -1.680 1.00 0.00 O ATOM 0 H SER A 41 -0.001 8.393 -0.182 1.00 0.00 H new ATOM 0 HA SER A 41 -1.573 5.896 -0.461 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.511 7.226 -2.507 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.131 7.589 -0.909 1.00 0.00 H new ATOM 0 HG SER A 41 -2.573 9.578 -1.460 1.00 0.00 H new ATOM 659 N VAL A 42 0.904 7.130 -2.187 1.00 0.00 N ATOM 660 CA VAL A 42 1.918 6.819 -3.188 1.00 0.00 C ATOM 661 C VAL A 42 2.992 5.901 -2.616 1.00 0.00 C ATOM 662 O VAL A 42 3.434 6.078 -1.480 1.00 0.00 O ATOM 663 CB VAL A 42 2.585 8.099 -3.727 1.00 0.00 C ATOM 664 CG1 VAL A 42 3.752 7.750 -4.637 1.00 0.00 C ATOM 665 CG2 VAL A 42 1.568 8.962 -4.457 1.00 0.00 C ATOM 0 H VAL A 42 1.076 7.990 -1.665 1.00 0.00 H new ATOM 0 HA VAL A 42 1.409 6.311 -4.007 1.00 0.00 H new ATOM 0 HB VAL A 42 2.972 8.670 -2.883 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.211 8.666 -5.008 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.490 7.175 -4.078 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.393 7.158 -5.478 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.056 9.862 -4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.149 8.402 -5.293 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.769 9.242 -3.771 1.00 0.00 H new ATOM 675 N TYR A 43 3.409 4.921 -3.409 1.00 0.00 N ATOM 676 CA TYR A 43 4.431 3.973 -2.981 1.00 0.00 C ATOM 677 C TYR A 43 5.402 3.670 -4.117 1.00 0.00 C ATOM 678 O TYR A 43 5.088 3.872 -5.290 1.00 0.00 O ATOM 679 CB TYR A 43 3.782 2.678 -2.490 1.00 0.00 C ATOM 680 CG TYR A 43 2.816 2.881 -1.344 1.00 0.00 C ATOM 681 CD1 TYR A 43 1.538 3.377 -1.566 1.00 0.00 C ATOM 682 CD2 TYR A 43 3.184 2.575 -0.039 1.00 0.00 C ATOM 683 CE1 TYR A 43 0.653 3.564 -0.521 1.00 0.00 C ATOM 684 CE2 TYR A 43 2.305 2.758 1.011 1.00 0.00 C ATOM 685 CZ TYR A 43 1.042 3.253 0.765 1.00 0.00 C ATOM 686 OH TYR A 43 0.163 3.437 1.808 1.00 0.00 O ATOM 0 H TYR A 43 3.055 4.762 -4.352 1.00 0.00 H new ATOM 0 HA TYR A 43 4.989 4.425 -2.161 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.254 2.209 -3.320 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.564 1.986 -2.177 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.230 3.621 -2.572 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.173 2.188 0.157 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.337 3.951 -0.710 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.606 2.515 2.019 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.430 4.191 1.607 1.00 0.00 H new ATOM 696 N THR A 44 6.586 3.182 -3.760 1.00 0.00 N ATOM 697 CA THR A 44 7.606 2.850 -4.747 1.00 0.00 C ATOM 698 C THR A 44 7.949 1.365 -4.705 1.00 0.00 C ATOM 699 O THR A 44 8.050 0.771 -3.632 1.00 0.00 O ATOM 700 CB THR A 44 8.891 3.669 -4.525 1.00 0.00 C ATOM 701 OG1 THR A 44 8.591 4.862 -3.791 1.00 0.00 O ATOM 702 CG2 THR A 44 9.537 4.034 -5.853 1.00 0.00 C ATOM 0 H THR A 44 6.862 3.008 -2.794 1.00 0.00 H new ATOM 0 HA THR A 44 7.192 3.097 -5.725 1.00 0.00 H new ATOM 0 HB THR A 44 9.591 3.058 -3.955 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.414 5.376 -3.652 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.443 4.612 -5.670 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.791 3.124 -6.396 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.841 4.628 -6.445 1.00 0.00 H new ATOM 710 N VAL A 45 8.130 0.771 -5.881 1.00 0.00 N ATOM 711 CA VAL A 45 8.465 -0.645 -5.978 1.00 0.00 C ATOM 712 C VAL A 45 9.806 -0.846 -6.674 1.00 0.00 C ATOM 713 O VAL A 45 9.979 -0.464 -7.831 1.00 0.00 O ATOM 714 CB VAL A 45 7.380 -1.427 -6.742 1.00 0.00 C ATOM 715 CG1 VAL A 45 7.778 -2.888 -6.888 1.00 0.00 C ATOM 716 CG2 VAL A 45 6.037 -1.299 -6.039 1.00 0.00 C ATOM 0 H VAL A 45 8.050 1.248 -6.779 1.00 0.00 H new ATOM 0 HA VAL A 45 8.527 -1.026 -4.959 1.00 0.00 H new ATOM 0 HB VAL A 45 7.284 -1.000 -7.740 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.000 -3.425 -7.430 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.716 -2.956 -7.438 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.904 -3.331 -5.900 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.282 -1.858 -6.592 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.116 -1.699 -5.028 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.749 -0.249 -5.992 1.00 0.00 H new ATOM 726 N GLU A 46 10.753 -1.448 -5.961 1.00 0.00 N ATOM 727 CA GLU A 46 12.079 -1.700 -6.511 1.00 0.00 C ATOM 728 C GLU A 46 11.997 -2.605 -7.737 1.00 0.00 C ATOM 729 O GLU A 46 10.912 -2.875 -8.251 1.00 0.00 O ATOM 730 CB GLU A 46 12.982 -2.336 -5.452 1.00 0.00 C ATOM 731 CG GLU A 46 14.277 -1.576 -5.220 1.00 0.00 C ATOM 732 CD GLU A 46 15.506 -2.446 -5.403 1.00 0.00 C ATOM 733 OE1 GLU A 46 15.833 -3.213 -4.473 1.00 0.00 O ATOM 734 OE2 GLU A 46 16.140 -2.360 -6.475 1.00 0.00 O ATOM 0 H GLU A 46 10.626 -1.770 -5.002 1.00 0.00 H new ATOM 0 HA GLU A 46 12.506 -0.744 -6.815 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.435 -2.400 -4.511 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.219 -3.356 -5.754 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.327 -0.733 -5.909 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.276 -1.163 -4.211 1.00 0.00 H new ATOM 741 N SER A 47 13.153 -3.070 -8.200 1.00 0.00 N ATOM 742 CA SER A 47 13.214 -3.941 -9.368 1.00 0.00 C ATOM 743 C SER A 47 12.933 -5.390 -8.980 1.00 0.00 C ATOM 744 O SER A 47 12.457 -6.181 -9.793 1.00 0.00 O ATOM 745 CB SER A 47 14.585 -3.837 -10.037 1.00 0.00 C ATOM 746 OG SER A 47 14.702 -4.758 -11.108 1.00 0.00 O ATOM 0 H SER A 47 14.060 -2.858 -7.784 1.00 0.00 H new ATOM 0 HA SER A 47 12.449 -3.617 -10.073 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.736 -2.823 -10.407 1.00 0.00 H new ATOM 0 HB3 SER A 47 15.367 -4.028 -9.302 1.00 0.00 H new ATOM 0 HG SER A 47 15.587 -4.670 -11.520 1.00 0.00 H new ATOM 752 N GLY A 48 13.233 -5.730 -7.730 1.00 0.00 N ATOM 753 CA GLY A 48 13.007 -7.083 -7.255 1.00 0.00 C ATOM 754 C GLY A 48 11.934 -7.150 -6.187 1.00 0.00 C ATOM 755 O GLY A 48 12.231 -7.339 -5.007 1.00 0.00 O ATOM 0 H GLY A 48 13.628 -5.093 -7.038 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.720 -7.716 -8.094 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.938 -7.485 -6.856 1.00 0.00 H new ATOM 759 N THR A 49 10.680 -6.994 -6.600 1.00 0.00 N ATOM 760 CA THR A 49 9.558 -7.036 -5.671 1.00 0.00 C ATOM 761 C THR A 49 8.415 -7.879 -6.226 1.00 0.00 C ATOM 762 O THR A 49 8.151 -7.867 -7.427 1.00 0.00 O ATOM 763 CB THR A 49 9.033 -5.621 -5.360 1.00 0.00 C ATOM 764 OG1 THR A 49 10.088 -4.664 -5.510 1.00 0.00 O ATOM 765 CG2 THR A 49 8.474 -5.550 -3.947 1.00 0.00 C ATOM 0 H THR A 49 10.416 -6.837 -7.573 1.00 0.00 H new ATOM 0 HA THR A 49 9.927 -7.490 -4.751 1.00 0.00 H new ATOM 0 HB THR A 49 8.232 -5.391 -6.062 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.081 -4.310 -6.424 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.109 -4.542 -3.750 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.653 -6.259 -3.845 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.259 -5.798 -3.232 1.00 0.00 H new ATOM 773 N GLU A 50 7.741 -8.608 -5.342 1.00 0.00 N ATOM 774 CA GLU A 50 6.626 -9.457 -5.745 1.00 0.00 C ATOM 775 C GLU A 50 5.292 -8.818 -5.369 1.00 0.00 C ATOM 776 O GLU A 50 5.250 -7.819 -4.652 1.00 0.00 O ATOM 777 CB GLU A 50 6.745 -10.836 -5.094 1.00 0.00 C ATOM 778 CG GLU A 50 8.159 -11.391 -5.097 1.00 0.00 C ATOM 779 CD GLU A 50 8.777 -11.422 -3.713 1.00 0.00 C ATOM 780 OE1 GLU A 50 8.065 -11.791 -2.754 1.00 0.00 O ATOM 781 OE2 GLU A 50 9.971 -11.079 -3.587 1.00 0.00 O ATOM 0 H GLU A 50 7.947 -8.628 -4.343 1.00 0.00 H new ATOM 0 HA GLU A 50 6.662 -9.571 -6.828 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.390 -10.774 -4.065 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.089 -11.533 -5.616 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.148 -12.400 -5.509 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.782 -10.785 -5.755 1.00 0.00 H new ATOM 788 N VAL A 51 4.204 -9.402 -5.860 1.00 0.00 N ATOM 789 CA VAL A 51 2.868 -8.892 -5.577 1.00 0.00 C ATOM 790 C VAL A 51 2.498 -9.103 -4.113 1.00 0.00 C ATOM 791 O VAL A 51 1.529 -8.528 -3.616 1.00 0.00 O ATOM 792 CB VAL A 51 1.808 -9.569 -6.465 1.00 0.00 C ATOM 793 CG1 VAL A 51 0.487 -8.819 -6.387 1.00 0.00 C ATOM 794 CG2 VAL A 51 2.296 -9.656 -7.904 1.00 0.00 C ATOM 0 H VAL A 51 4.222 -10.229 -6.456 1.00 0.00 H new ATOM 0 HA VAL A 51 2.885 -7.824 -5.795 1.00 0.00 H new ATOM 0 HB VAL A 51 1.645 -10.582 -6.098 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.250 -9.312 -7.021 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.132 -8.813 -5.356 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.630 -7.794 -6.728 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.535 -10.137 -8.518 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.488 -8.653 -8.284 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.215 -10.241 -7.942 1.00 0.00 H new ATOM 804 N THR A 52 3.277 -9.933 -3.425 1.00 0.00 N ATOM 805 CA THR A 52 3.032 -10.221 -2.018 1.00 0.00 C ATOM 806 C THR A 52 3.833 -9.288 -1.117 1.00 0.00 C ATOM 807 O THR A 52 3.429 -8.999 0.008 1.00 0.00 O ATOM 808 CB THR A 52 3.388 -11.680 -1.673 1.00 0.00 C ATOM 809 OG1 THR A 52 3.265 -11.894 -0.263 1.00 0.00 O ATOM 810 CG2 THR A 52 4.804 -12.012 -2.120 1.00 0.00 C ATOM 0 H THR A 52 4.083 -10.417 -3.820 1.00 0.00 H new ATOM 0 HA THR A 52 1.968 -10.063 -1.844 1.00 0.00 H new ATOM 0 HB THR A 52 2.695 -12.334 -2.201 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.491 -12.824 -0.052 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.033 -13.047 -1.866 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.886 -11.877 -3.198 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.509 -11.351 -1.616 1.00 0.00 H new ATOM 818 N GLU A 53 4.971 -8.820 -1.621 1.00 0.00 N ATOM 819 CA GLU A 53 5.829 -7.919 -0.860 1.00 0.00 C ATOM 820 C GLU A 53 5.088 -6.633 -0.506 1.00 0.00 C ATOM 821 O GLU A 53 5.393 -5.983 0.495 1.00 0.00 O ATOM 822 CB GLU A 53 7.094 -7.590 -1.656 1.00 0.00 C ATOM 823 CG GLU A 53 8.347 -7.506 -0.801 1.00 0.00 C ATOM 824 CD GLU A 53 9.533 -8.208 -1.433 1.00 0.00 C ATOM 825 OE1 GLU A 53 9.524 -8.390 -2.668 1.00 0.00 O ATOM 826 OE2 GLU A 53 10.468 -8.577 -0.692 1.00 0.00 O ATOM 0 H GLU A 53 5.320 -9.050 -2.552 1.00 0.00 H new ATOM 0 HA GLU A 53 6.112 -8.422 0.065 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.238 -8.351 -2.423 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.952 -6.640 -2.172 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.597 -6.459 -0.632 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.146 -7.947 0.175 1.00 0.00 H new ATOM 833 N PHE A 54 4.114 -6.271 -1.334 1.00 0.00 N ATOM 834 CA PHE A 54 3.330 -5.062 -1.110 1.00 0.00 C ATOM 835 C PHE A 54 2.259 -5.297 -0.049 1.00 0.00 C ATOM 836 O PHE A 54 1.750 -4.353 0.555 1.00 0.00 O ATOM 837 CB PHE A 54 2.680 -4.601 -2.416 1.00 0.00 C ATOM 838 CG PHE A 54 3.578 -4.733 -3.612 1.00 0.00 C ATOM 839 CD1 PHE A 54 4.841 -4.164 -3.613 1.00 0.00 C ATOM 840 CD2 PHE A 54 3.159 -5.426 -4.736 1.00 0.00 C ATOM 841 CE1 PHE A 54 5.669 -4.283 -4.713 1.00 0.00 C ATOM 842 CE2 PHE A 54 3.983 -5.550 -5.839 1.00 0.00 C ATOM 843 CZ PHE A 54 5.240 -4.978 -5.827 1.00 0.00 C ATOM 0 H PHE A 54 3.849 -6.798 -2.166 1.00 0.00 H new ATOM 0 HA PHE A 54 4.004 -4.283 -0.753 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.774 -5.182 -2.586 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.376 -3.559 -2.313 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.183 -3.621 -2.744 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.177 -5.875 -4.751 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.651 -3.833 -4.702 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.644 -6.093 -6.709 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.886 -5.074 -6.687 1.00 0.00 H new ATOM 853 N ALA A 55 1.920 -6.563 0.170 1.00 0.00 N ATOM 854 CA ALA A 55 0.910 -6.923 1.158 1.00 0.00 C ATOM 855 C ALA A 55 1.496 -6.928 2.566 1.00 0.00 C ATOM 856 O ALA A 55 0.762 -6.894 3.554 1.00 0.00 O ATOM 857 CB ALA A 55 0.312 -8.283 0.829 1.00 0.00 C ATOM 0 H ALA A 55 2.330 -7.356 -0.323 1.00 0.00 H new ATOM 0 HA ALA A 55 0.120 -6.172 1.124 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.441 -8.540 1.575 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.151 -8.248 -0.157 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.099 -9.037 0.833 1.00 0.00 H new ATOM 863 N CYS A 56 2.821 -6.969 2.650 1.00 0.00 N ATOM 864 CA CYS A 56 3.506 -6.979 3.938 1.00 0.00 C ATOM 865 C CYS A 56 4.131 -5.620 4.232 1.00 0.00 C ATOM 866 O CYS A 56 4.701 -5.405 5.302 1.00 0.00 O ATOM 867 CB CYS A 56 4.583 -8.065 3.958 1.00 0.00 C ATOM 868 SG CYS A 56 6.055 -7.663 2.987 1.00 0.00 S ATOM 0 H CYS A 56 3.443 -6.996 1.842 1.00 0.00 H new ATOM 0 HA CYS A 56 2.769 -7.194 4.712 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.881 -8.247 4.991 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.155 -8.994 3.581 1.00 0.00 H new ATOM 0 HG CYS A 56 5.707 -6.993 1.929 1.00 0.00 H new ATOM 874 N VAL A 57 4.023 -4.705 3.274 1.00 0.00 N ATOM 875 CA VAL A 57 4.578 -3.365 3.430 1.00 0.00 C ATOM 876 C VAL A 57 3.477 -2.339 3.673 1.00 0.00 C ATOM 877 O VAL A 57 3.711 -1.295 4.283 1.00 0.00 O ATOM 878 CB VAL A 57 5.389 -2.947 2.189 1.00 0.00 C ATOM 879 CG1 VAL A 57 4.461 -2.530 1.059 1.00 0.00 C ATOM 880 CG2 VAL A 57 6.355 -1.824 2.538 1.00 0.00 C ATOM 0 H VAL A 57 3.556 -4.867 2.382 1.00 0.00 H new ATOM 0 HA VAL A 57 5.240 -3.395 4.295 1.00 0.00 H new ATOM 0 HB VAL A 57 5.970 -3.805 1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.053 -2.238 0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.814 -3.366 0.793 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.850 -1.687 1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.920 -1.541 1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.795 -0.962 2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.043 -2.163 3.313 1.00 0.00 H new ATOM 890 N VAL A 58 2.275 -2.643 3.193 1.00 0.00 N ATOM 891 CA VAL A 58 1.137 -1.747 3.360 1.00 0.00 C ATOM 892 C VAL A 58 0.464 -1.960 4.712 1.00 0.00 C ATOM 893 O VAL A 58 0.092 -1.002 5.388 1.00 0.00 O ATOM 894 CB VAL A 58 0.095 -1.950 2.244 1.00 0.00 C ATOM 895 CG1 VAL A 58 -1.118 -1.062 2.478 1.00 0.00 C ATOM 896 CG2 VAL A 58 0.714 -1.673 0.882 1.00 0.00 C ATOM 0 H VAL A 58 2.064 -3.502 2.686 1.00 0.00 H new ATOM 0 HA VAL A 58 1.524 -0.730 3.306 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.236 -2.988 2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.843 -1.219 1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.573 -1.313 3.436 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.808 -0.017 2.486 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.036 -1.821 0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.074 -0.645 0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.548 -2.355 0.716 1.00 0.00 H new ATOM 906 N ALA A 59 0.313 -3.222 5.099 1.00 0.00 N ATOM 907 CA ALA A 59 -0.313 -3.560 6.372 1.00 0.00 C ATOM 908 C ALA A 59 0.373 -2.841 7.529 1.00 0.00 C ATOM 909 O ALA A 59 -0.243 -2.583 8.562 1.00 0.00 O ATOM 910 CB ALA A 59 -0.282 -5.066 6.591 1.00 0.00 C ATOM 0 H ALA A 59 0.615 -4.027 4.550 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.351 -3.230 6.338 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.752 -5.305 7.545 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.823 -5.562 5.785 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.752 -5.411 6.600 1.00 0.00 H new ATOM 916 N GLU A 60 1.650 -2.522 7.347 1.00 0.00 N ATOM 917 CA GLU A 60 2.418 -1.834 8.378 1.00 0.00 C ATOM 918 C GLU A 60 2.417 -0.326 8.143 1.00 0.00 C ATOM 919 O GLU A 60 2.622 0.458 9.069 1.00 0.00 O ATOM 920 CB GLU A 60 3.857 -2.355 8.407 1.00 0.00 C ATOM 921 CG GLU A 60 4.593 -2.181 7.089 1.00 0.00 C ATOM 922 CD GLU A 60 6.070 -1.892 7.280 1.00 0.00 C ATOM 923 OE1 GLU A 60 6.431 -0.702 7.393 1.00 0.00 O ATOM 924 OE2 GLU A 60 6.864 -2.855 7.316 1.00 0.00 O ATOM 0 H GLU A 60 2.174 -2.728 6.497 1.00 0.00 H new ATOM 0 HA GLU A 60 1.946 -2.035 9.340 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.407 -1.836 9.192 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.847 -3.412 8.671 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.478 -3.085 6.491 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.137 -1.366 6.527 1.00 0.00 H new ATOM 931 N ALA A 61 2.184 0.072 6.896 1.00 0.00 N ATOM 932 CA ALA A 61 2.153 1.485 6.538 1.00 0.00 C ATOM 933 C ALA A 61 0.794 2.102 6.852 1.00 0.00 C ATOM 934 O ALA A 61 0.566 3.285 6.602 1.00 0.00 O ATOM 935 CB ALA A 61 2.489 1.663 5.065 1.00 0.00 C ATOM 0 H ALA A 61 2.014 -0.564 6.117 1.00 0.00 H new ATOM 0 HA ALA A 61 2.903 2.003 7.136 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.462 2.723 4.811 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.486 1.268 4.869 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.760 1.126 4.458 1.00 0.00 H new ATOM 941 N VAL A 62 -0.106 1.291 7.399 1.00 0.00 N ATOM 942 CA VAL A 62 -1.443 1.758 7.747 1.00 0.00 C ATOM 943 C VAL A 62 -1.590 1.931 9.255 1.00 0.00 C ATOM 944 O VAL A 62 -2.310 2.813 9.722 1.00 0.00 O ATOM 945 CB VAL A 62 -2.525 0.784 7.245 1.00 0.00 C ATOM 946 CG1 VAL A 62 -2.664 0.873 5.733 1.00 0.00 C ATOM 947 CG2 VAL A 62 -2.203 -0.639 7.677 1.00 0.00 C ATOM 0 H VAL A 62 0.066 0.308 7.611 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.578 2.723 7.259 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.479 1.067 7.690 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.433 0.178 5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.945 1.888 5.453 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.714 0.617 5.265 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.978 -1.314 7.314 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.240 -0.936 7.262 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.160 -0.688 8.765 1.00 0.00 H new ATOM 957 N VAL A 63 -0.901 1.083 10.012 1.00 0.00 N ATOM 958 CA VAL A 63 -0.953 1.143 11.468 1.00 0.00 C ATOM 959 C VAL A 63 -0.376 2.455 11.985 1.00 0.00 C ATOM 960 O VAL A 63 -1.113 3.351 12.398 1.00 0.00 O ATOM 961 CB VAL A 63 -0.185 -0.030 12.105 1.00 0.00 C ATOM 962 CG1 VAL A 63 -0.135 0.123 13.618 1.00 0.00 C ATOM 963 CG2 VAL A 63 -0.820 -1.357 11.717 1.00 0.00 C ATOM 0 H VAL A 63 -0.300 0.347 9.641 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.004 1.076 11.751 1.00 0.00 H new ATOM 0 HB VAL A 63 0.838 -0.018 11.728 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.412 -0.715 14.051 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.369 1.055 13.873 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.150 0.139 14.016 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.264 -2.174 12.176 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.853 -1.381 12.064 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.798 -1.468 10.633 1.00 0.00 H new ATOM 973 N LYS A 64 0.948 2.564 11.960 1.00 0.00 N ATOM 974 CA LYS A 64 1.627 3.767 12.424 1.00 0.00 C ATOM 975 C LYS A 64 1.037 5.012 11.769 1.00 0.00 C ATOM 976 O LYS A 64 0.910 6.060 12.403 1.00 0.00 O ATOM 977 CB LYS A 64 3.125 3.681 12.123 1.00 0.00 C ATOM 978 CG LYS A 64 3.436 3.360 10.671 1.00 0.00 C ATOM 979 CD LYS A 64 4.402 2.193 10.553 1.00 0.00 C ATOM 980 CE LYS A 64 5.813 2.593 10.957 1.00 0.00 C ATOM 981 NZ LYS A 64 6.587 3.133 9.806 1.00 0.00 N ATOM 0 H LYS A 64 1.573 1.832 11.622 1.00 0.00 H new ATOM 0 HA LYS A 64 1.483 3.842 13.502 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.595 4.629 12.386 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.572 2.917 12.759 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.512 3.123 10.144 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.864 4.238 10.187 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.061 1.372 11.184 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.407 1.826 9.527 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.766 3.343 11.747 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.332 1.728 11.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.543 3.394 10.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.654 2.409 9.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.106 3.974 9.428 1.00 0.00 H new ATOM 995 N THR A 65 0.675 4.890 10.495 1.00 0.00 N ATOM 996 CA THR A 65 0.098 6.004 9.754 1.00 0.00 C ATOM 997 C THR A 65 -1.301 6.335 10.260 1.00 0.00 C ATOM 998 O THR A 65 -1.740 7.484 10.198 1.00 0.00 O ATOM 999 CB THR A 65 0.028 5.700 8.246 1.00 0.00 C ATOM 1000 OG1 THR A 65 1.344 5.471 7.730 1.00 0.00 O ATOM 1001 CG2 THR A 65 -0.625 6.849 7.492 1.00 0.00 C ATOM 0 H THR A 65 0.772 4.030 9.955 1.00 0.00 H new ATOM 0 HA THR A 65 0.751 6.862 9.914 1.00 0.00 H new ATOM 0 HB THR A 65 -0.577 4.804 8.107 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.346 4.654 7.189 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.663 6.611 6.429 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.637 7.001 7.866 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.043 7.759 7.640 1.00 0.00 H new ATOM 1009 N LEU A 66 -1.998 5.322 10.763 1.00 0.00 N ATOM 1010 CA LEU A 66 -3.350 5.505 11.281 1.00 0.00 C ATOM 1011 C LEU A 66 -3.449 5.021 12.724 1.00 0.00 C ATOM 1012 O LEU A 66 -4.205 4.098 13.028 1.00 0.00 O ATOM 1013 CB LEU A 66 -4.358 4.755 10.409 1.00 0.00 C ATOM 1014 CG LEU A 66 -4.236 4.977 8.901 1.00 0.00 C ATOM 1015 CD1 LEU A 66 -5.432 4.380 8.175 1.00 0.00 C ATOM 1016 CD2 LEU A 66 -4.107 6.461 8.589 1.00 0.00 C ATOM 0 H LEU A 66 -1.650 4.365 10.823 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.581 6.570 11.257 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.258 3.688 10.608 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.362 5.044 10.719 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.335 4.473 8.551 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.328 4.548 7.103 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.480 3.309 8.372 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.347 4.855 8.529 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.021 6.600 7.511 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.989 6.987 8.954 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.218 6.860 9.078 1.00 0.00 H new ATOM 1028 N GLN A 67 -2.684 5.651 13.609 1.00 0.00 N ATOM 1029 CA GLN A 67 -2.688 5.285 15.020 1.00 0.00 C ATOM 1030 C GLN A 67 -2.948 6.505 15.898 1.00 0.00 C ATOM 1031 O GLN A 67 -2.392 6.645 16.988 1.00 0.00 O ATOM 1032 CB GLN A 67 -1.355 4.640 15.405 1.00 0.00 C ATOM 1033 CG GLN A 67 -1.345 3.127 15.251 1.00 0.00 C ATOM 1034 CD GLN A 67 -1.099 2.409 16.563 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -2.000 2.281 17.393 1.00 0.00 O ATOM 1036 NE2 GLN A 67 0.126 1.935 16.758 1.00 0.00 N ATOM 0 H GLN A 67 -2.053 6.417 13.374 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.492 4.566 15.181 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.563 5.065 14.788 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.124 4.893 16.440 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.299 2.801 14.836 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.573 2.843 14.536 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.842 2.064 16.043 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.351 1.442 17.622 1.00 0.00 H new ATOM 1045 N PRO A 68 -3.812 7.409 15.414 1.00 0.00 N ATOM 1046 CA PRO A 68 -4.165 8.633 16.140 1.00 0.00 C ATOM 1047 C PRO A 68 -5.005 8.350 17.380 1.00 0.00 C ATOM 1048 O PRO A 68 -4.717 8.855 18.466 1.00 0.00 O ATOM 1049 CB PRO A 68 -4.977 9.431 15.115 1.00 0.00 C ATOM 1050 CG PRO A 68 -5.537 8.403 14.194 1.00 0.00 C ATOM 1051 CD PRO A 68 -4.511 7.307 14.122 1.00 0.00 C ATOM 0 HA PRO A 68 -3.283 9.157 16.508 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -5.769 10.005 15.597 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.349 10.143 14.579 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.488 8.023 14.566 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -5.727 8.825 13.207 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -4.976 6.330 13.992 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.829 7.449 13.284 1.00 0.00 H new ATOM 1059 N VAL A 69 -6.045 7.539 17.213 1.00 0.00 N ATOM 1060 CA VAL A 69 -6.926 7.187 18.320 1.00 0.00 C ATOM 1061 C VAL A 69 -7.571 5.824 18.097 1.00 0.00 C ATOM 1062 O VAL A 69 -8.794 5.711 18.013 1.00 0.00 O ATOM 1063 CB VAL A 69 -8.032 8.241 18.515 1.00 0.00 C ATOM 1064 CG1 VAL A 69 -7.488 9.456 19.251 1.00 0.00 C ATOM 1065 CG2 VAL A 69 -8.626 8.642 17.173 1.00 0.00 C ATOM 0 H VAL A 69 -6.298 7.113 16.321 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.308 7.151 19.217 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.825 7.804 19.122 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.284 10.190 19.380 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.114 9.152 20.228 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.676 9.898 18.673 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.406 9.387 17.328 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.844 9.062 16.540 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.054 7.765 16.688 1.00 0.00 H new ATOM 1075 N SER A 70 -6.741 4.790 18.003 1.00 0.00 N ATOM 1076 CA SER A 70 -7.230 3.434 17.786 1.00 0.00 C ATOM 1077 C SER A 70 -8.019 2.941 18.995 1.00 0.00 C ATOM 1078 O SER A 70 -8.718 1.930 18.924 1.00 0.00 O ATOM 1079 CB SER A 70 -6.062 2.486 17.504 1.00 0.00 C ATOM 1080 OG SER A 70 -4.829 3.070 17.884 1.00 0.00 O ATOM 0 H SER A 70 -5.726 4.866 18.074 1.00 0.00 H new ATOM 0 HA SER A 70 -7.894 3.448 16.922 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.208 1.552 18.047 1.00 0.00 H new ATOM 0 HB3 SER A 70 -6.039 2.238 16.443 1.00 0.00 H new ATOM 0 HG SER A 70 -4.090 2.526 17.541 1.00 0.00 H new ATOM 1086 N ASP A 71 -7.900 3.662 20.105 1.00 0.00 N ATOM 1087 CA ASP A 71 -8.602 3.300 21.331 1.00 0.00 C ATOM 1088 C ASP A 71 -10.113 3.341 21.124 1.00 0.00 C ATOM 1089 O ASP A 71 -10.873 2.774 21.910 1.00 0.00 O ATOM 1090 CB ASP A 71 -8.205 4.242 22.468 1.00 0.00 C ATOM 1091 CG ASP A 71 -6.702 4.391 22.598 1.00 0.00 C ATOM 1092 OD1 ASP A 71 -6.116 5.185 21.834 1.00 0.00 O ATOM 1093 OD2 ASP A 71 -6.111 3.713 23.465 1.00 0.00 O ATOM 0 H ASP A 71 -7.324 4.500 20.181 1.00 0.00 H new ATOM 0 HA ASP A 71 -8.317 2.282 21.597 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.651 5.222 22.297 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -8.612 3.866 23.406 1.00 0.00 H new ATOM 1098 N LEU A 72 -10.542 4.015 20.063 1.00 0.00 N ATOM 1099 CA LEU A 72 -11.962 4.131 19.753 1.00 0.00 C ATOM 1100 C LEU A 72 -12.377 3.100 18.707 1.00 0.00 C ATOM 1101 O LEU A 72 -13.482 2.558 18.758 1.00 0.00 O ATOM 1102 CB LEU A 72 -12.282 5.540 19.252 1.00 0.00 C ATOM 1103 CG LEU A 72 -11.853 5.856 17.819 1.00 0.00 C ATOM 1104 CD1 LEU A 72 -12.957 5.493 16.838 1.00 0.00 C ATOM 1105 CD2 LEU A 72 -11.481 7.326 17.685 1.00 0.00 C ATOM 0 H LEU A 72 -9.926 4.490 19.403 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.525 3.941 20.667 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -13.358 5.696 19.331 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.806 6.258 19.919 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.974 5.256 17.583 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.633 5.725 15.823 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.176 4.428 16.914 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.855 6.065 17.072 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.178 7.533 16.658 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.342 7.944 17.941 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.656 7.556 18.360 1.00 0.00 H new ATOM 1117 N LEU A 73 -11.484 2.833 17.761 1.00 0.00 N ATOM 1118 CA LEU A 73 -11.756 1.866 16.703 1.00 0.00 C ATOM 1119 C LEU A 73 -12.016 0.480 17.287 1.00 0.00 C ATOM 1120 O LEU A 73 -12.793 -0.301 16.737 1.00 0.00 O ATOM 1121 CB LEU A 73 -10.583 1.807 15.724 1.00 0.00 C ATOM 1122 CG LEU A 73 -10.032 3.155 15.255 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -8.845 2.952 14.327 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -11.120 3.963 14.564 1.00 0.00 C ATOM 0 H LEU A 73 -10.565 3.272 17.705 1.00 0.00 H new ATOM 0 HA LEU A 73 -12.650 2.190 16.170 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.772 1.249 16.192 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.896 1.240 14.847 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.693 3.712 16.128 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.466 3.921 14.003 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.058 2.413 14.855 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.158 2.376 13.456 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.711 4.919 14.237 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.489 3.411 13.700 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.940 4.139 15.260 1.00 0.00 H new ATOM 1136 N THR A 74 -11.362 0.182 18.405 1.00 0.00 N ATOM 1137 CA THR A 74 -11.522 -1.108 19.064 1.00 0.00 C ATOM 1138 C THR A 74 -12.886 -1.216 19.736 1.00 0.00 C ATOM 1139 O THR A 74 -13.341 -2.310 20.067 1.00 0.00 O ATOM 1140 CB THR A 74 -10.424 -1.341 20.118 1.00 0.00 C ATOM 1141 OG1 THR A 74 -9.252 -0.590 19.779 1.00 0.00 O ATOM 1142 CG2 THR A 74 -10.074 -2.818 20.217 1.00 0.00 C ATOM 0 H THR A 74 -10.716 0.817 18.873 1.00 0.00 H new ATOM 0 HA THR A 74 -11.439 -1.871 18.290 1.00 0.00 H new ATOM 0 HB THR A 74 -10.802 -1.007 21.084 1.00 0.00 H new ATOM 0 HG1 THR A 74 -8.559 -0.742 20.455 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.296 -2.958 20.968 1.00 0.00 H new ATOM 0 HG22 THR A 74 -10.961 -3.384 20.503 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.714 -3.172 19.251 1.00 0.00 H new ATOM 1150 N ASN A 75 -13.536 -0.073 19.934 1.00 0.00 N ATOM 1151 CA ASN A 75 -14.849 -0.040 20.567 1.00 0.00 C ATOM 1152 C ASN A 75 -15.937 -0.463 19.585 1.00 0.00 C ATOM 1153 O ASN A 75 -17.012 -0.907 19.987 1.00 0.00 O ATOM 1154 CB ASN A 75 -15.146 1.363 21.101 1.00 0.00 C ATOM 1155 CG ASN A 75 -14.131 1.814 22.134 1.00 0.00 C ATOM 1156 OD1 ASN A 75 -13.415 0.999 22.716 1.00 0.00 O ATOM 1157 ND2 ASN A 75 -14.065 3.120 22.367 1.00 0.00 N ATOM 0 H ASN A 75 -13.174 0.842 19.665 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.841 -0.744 21.399 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -15.155 2.070 20.272 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -16.142 1.377 21.544 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -13.402 3.483 23.051 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -14.678 3.760 21.861 1.00 0.00 H new ATOM 1164 N MET A 76 -15.650 -0.321 18.295 1.00 0.00 N ATOM 1165 CA MET A 76 -16.603 -0.690 17.255 1.00 0.00 C ATOM 1166 C MET A 76 -16.252 -2.047 16.653 1.00 0.00 C ATOM 1167 O MET A 76 -17.119 -2.750 16.134 1.00 0.00 O ATOM 1168 CB MET A 76 -16.632 0.375 16.158 1.00 0.00 C ATOM 1169 CG MET A 76 -15.254 0.740 15.629 1.00 0.00 C ATOM 1170 SD MET A 76 -15.328 1.749 14.136 1.00 0.00 S ATOM 1171 CE MET A 76 -14.734 3.319 14.759 1.00 0.00 C ATOM 0 H MET A 76 -14.765 0.047 17.945 1.00 0.00 H new ATOM 0 HA MET A 76 -17.591 -0.758 17.711 1.00 0.00 H new ATOM 0 HB2 MET A 76 -17.246 0.017 15.332 1.00 0.00 H new ATOM 0 HB3 MET A 76 -17.112 1.273 16.547 1.00 0.00 H new ATOM 0 HG2 MET A 76 -14.704 1.279 16.400 1.00 0.00 H new ATOM 0 HG3 MET A 76 -14.696 -0.173 15.419 1.00 0.00 H new ATOM 0 HE1 MET A 76 -15.465 4.098 14.539 1.00 0.00 H new ATOM 0 HE2 MET A 76 -14.589 3.251 15.837 1.00 0.00 H new ATOM 0 HE3 MET A 76 -13.786 3.565 14.280 1.00 0.00 H new ATOM 1181 N GLY A 77 -14.975 -2.410 16.726 1.00 0.00 N ATOM 1182 CA GLY A 77 -14.533 -3.682 16.183 1.00 0.00 C ATOM 1183 C GLY A 77 -13.200 -3.576 15.470 1.00 0.00 C ATOM 1184 O GLY A 77 -12.351 -4.460 15.592 1.00 0.00 O ATOM 0 H GLY A 77 -14.239 -1.846 17.151 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.453 -4.410 16.990 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.284 -4.058 15.488 1.00 0.00 H new ATOM 1188 N ILE A 78 -13.015 -2.493 14.722 1.00 0.00 N ATOM 1189 CA ILE A 78 -11.776 -2.276 13.986 1.00 0.00 C ATOM 1190 C ILE A 78 -10.569 -2.321 14.917 1.00 0.00 C ATOM 1191 O ILE A 78 -10.394 -1.447 15.766 1.00 0.00 O ATOM 1192 CB ILE A 78 -11.790 -0.925 13.247 1.00 0.00 C ATOM 1193 CG1 ILE A 78 -12.887 -0.915 12.180 1.00 0.00 C ATOM 1194 CG2 ILE A 78 -10.431 -0.651 12.620 1.00 0.00 C ATOM 1195 CD1 ILE A 78 -13.079 0.435 11.524 1.00 0.00 C ATOM 0 H ILE A 78 -13.708 -1.753 14.610 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.698 -3.080 13.254 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.002 -0.135 13.967 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.644 -1.651 11.414 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.828 -1.226 12.634 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.456 0.307 12.101 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -9.670 -0.622 13.400 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.192 -1.442 11.909 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -13.872 0.368 10.779 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -13.353 1.171 12.280 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -12.151 0.740 11.040 1.00 0.00 H new ATOM 1207 N ASP A 79 -9.738 -3.343 14.750 1.00 0.00 N ATOM 1208 CA ASP A 79 -8.544 -3.501 15.574 1.00 0.00 C ATOM 1209 C ASP A 79 -7.313 -2.959 14.855 1.00 0.00 C ATOM 1210 O ASP A 79 -7.137 -3.173 13.655 1.00 0.00 O ATOM 1211 CB ASP A 79 -8.335 -4.974 15.929 1.00 0.00 C ATOM 1212 CG ASP A 79 -8.084 -5.182 17.410 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -7.453 -4.303 18.033 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -8.518 -6.224 17.945 1.00 0.00 O ATOM 0 H ASP A 79 -9.868 -4.075 14.052 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.687 -2.931 16.492 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.213 -5.545 15.628 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -7.491 -5.365 15.362 1.00 0.00 H new ATOM 1219 N LEU A 80 -6.464 -2.255 15.596 1.00 0.00 N ATOM 1220 CA LEU A 80 -5.249 -1.681 15.029 1.00 0.00 C ATOM 1221 C LEU A 80 -4.079 -2.652 15.152 1.00 0.00 C ATOM 1222 O LEU A 80 -3.180 -2.666 14.310 1.00 0.00 O ATOM 1223 CB LEU A 80 -4.909 -0.364 15.730 1.00 0.00 C ATOM 1224 CG LEU A 80 -4.564 0.813 14.817 1.00 0.00 C ATOM 1225 CD1 LEU A 80 -3.274 0.541 14.060 1.00 0.00 C ATOM 1226 CD2 LEU A 80 -5.705 1.088 13.849 1.00 0.00 C ATOM 0 H LEU A 80 -6.595 -2.068 16.590 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.427 -1.488 13.971 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.756 -0.078 16.353 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.066 -0.539 16.399 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.418 1.698 15.436 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.045 1.390 13.415 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.460 0.394 14.770 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.391 -0.356 13.451 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.443 1.929 13.207 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.883 0.205 13.236 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.608 1.328 14.410 1.00 0.00 H new ATOM 1238 N ASP A 81 -4.098 -3.463 16.203 1.00 0.00 N ATOM 1239 CA ASP A 81 -3.041 -4.441 16.434 1.00 0.00 C ATOM 1240 C ASP A 81 -3.078 -5.542 15.379 1.00 0.00 C ATOM 1241 O ASP A 81 -2.056 -6.154 15.071 1.00 0.00 O ATOM 1242 CB ASP A 81 -3.177 -5.051 17.830 1.00 0.00 C ATOM 1243 CG ASP A 81 -1.892 -4.958 18.630 1.00 0.00 C ATOM 1244 OD1 ASP A 81 -1.314 -3.854 18.697 1.00 0.00 O ATOM 1245 OD2 ASP A 81 -1.465 -5.990 19.188 1.00 0.00 O ATOM 0 H ASP A 81 -4.834 -3.463 16.909 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.083 -3.926 16.362 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.975 -4.542 18.370 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.470 -6.097 17.739 1.00 0.00 H new ATOM 1250 N GLU A 82 -4.264 -5.788 14.830 1.00 0.00 N ATOM 1251 CA GLU A 82 -4.434 -6.816 13.810 1.00 0.00 C ATOM 1252 C GLU A 82 -3.886 -6.346 12.466 1.00 0.00 C ATOM 1253 O GLU A 82 -3.410 -7.148 11.663 1.00 0.00 O ATOM 1254 CB GLU A 82 -5.912 -7.187 13.670 1.00 0.00 C ATOM 1255 CG GLU A 82 -6.698 -6.232 12.788 1.00 0.00 C ATOM 1256 CD GLU A 82 -8.192 -6.306 13.034 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -8.640 -7.275 13.682 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -8.914 -5.395 12.577 1.00 0.00 O ATOM 0 H GLU A 82 -5.120 -5.290 15.074 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.874 -7.697 14.122 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.988 -8.194 13.259 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.367 -7.212 14.660 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.354 -5.213 12.966 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.494 -6.459 11.742 1.00 0.00 H new ATOM 1265 N TRP A 83 -3.958 -5.041 12.229 1.00 0.00 N ATOM 1266 CA TRP A 83 -3.470 -4.463 10.981 1.00 0.00 C ATOM 1267 C TRP A 83 -2.032 -4.892 10.709 1.00 0.00 C ATOM 1268 O TRP A 83 -1.640 -5.084 9.558 1.00 0.00 O ATOM 1269 CB TRP A 83 -3.559 -2.937 11.033 1.00 0.00 C ATOM 1270 CG TRP A 83 -4.940 -2.414 10.776 1.00 0.00 C ATOM 1271 CD1 TRP A 83 -6.113 -3.102 10.898 1.00 0.00 C ATOM 1272 CD2 TRP A 83 -5.291 -1.092 10.352 1.00 0.00 C ATOM 1273 NE1 TRP A 83 -7.172 -2.288 10.575 1.00 0.00 N ATOM 1274 CE2 TRP A 83 -6.694 -1.050 10.238 1.00 0.00 C ATOM 1275 CE3 TRP A 83 -4.556 0.060 10.060 1.00 0.00 C ATOM 1276 CZ2 TRP A 83 -7.374 0.099 9.843 1.00 0.00 C ATOM 1277 CZ3 TRP A 83 -5.232 1.200 9.668 1.00 0.00 C ATOM 1278 CH2 TRP A 83 -6.629 1.213 9.563 1.00 0.00 C ATOM 0 H TRP A 83 -4.349 -4.363 12.883 1.00 0.00 H new ATOM 0 HA TRP A 83 -4.099 -4.829 10.169 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.224 -2.594 12.012 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.875 -2.515 10.296 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.196 -4.135 11.204 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.155 -2.562 10.585 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -3.479 0.060 10.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -8.451 0.111 9.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -4.674 2.096 9.439 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -7.128 2.120 9.255 1.00 0.00 H new ATOM 1289 N SER A 84 -1.251 -5.040 11.774 1.00 0.00 N ATOM 1290 CA SER A 84 0.145 -5.442 11.648 1.00 0.00 C ATOM 1291 C SER A 84 0.256 -6.939 11.373 1.00 0.00 C ATOM 1292 O SER A 84 1.209 -7.397 10.743 1.00 0.00 O ATOM 1293 CB SER A 84 0.917 -5.087 12.920 1.00 0.00 C ATOM 1294 OG SER A 84 1.675 -3.902 12.743 1.00 0.00 O ATOM 0 H SER A 84 -1.561 -4.888 12.734 1.00 0.00 H new ATOM 0 HA SER A 84 0.579 -4.902 10.806 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.220 -4.956 13.748 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.580 -5.910 13.188 1.00 0.00 H new ATOM 0 HG SER A 84 2.158 -3.696 13.571 1.00 0.00 H new ATOM 1300 N VAL A 85 -0.726 -7.696 11.851 1.00 0.00 N ATOM 1301 CA VAL A 85 -0.741 -9.141 11.657 1.00 0.00 C ATOM 1302 C VAL A 85 -1.913 -9.566 10.780 1.00 0.00 C ATOM 1303 O VAL A 85 -2.549 -10.590 11.029 1.00 0.00 O ATOM 1304 CB VAL A 85 -0.823 -9.887 13.002 1.00 0.00 C ATOM 1305 CG1 VAL A 85 0.375 -9.547 13.876 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -2.125 -9.556 13.716 1.00 0.00 C ATOM 0 H VAL A 85 -1.522 -7.333 12.376 1.00 0.00 H new ATOM 0 HA VAL A 85 0.193 -9.403 11.161 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.805 -10.959 12.804 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.299 -10.083 14.822 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.293 -9.839 13.365 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.393 -8.474 14.068 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.166 -10.092 14.664 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.175 -8.483 13.903 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.968 -9.856 13.093 1.00 0.00 H new ATOM 1316 N ALA A 86 -2.194 -8.772 9.752 1.00 0.00 N ATOM 1317 CA ALA A 86 -3.289 -9.068 8.835 1.00 0.00 C ATOM 1318 C ALA A 86 -2.768 -9.349 7.430 1.00 0.00 C ATOM 1319 O ALA A 86 -1.559 -9.418 7.207 1.00 0.00 O ATOM 1320 CB ALA A 86 -4.282 -7.915 8.811 1.00 0.00 C ATOM 0 H ALA A 86 -1.679 -7.919 9.533 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.797 -9.964 9.191 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.094 -8.149 8.123 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.687 -7.762 9.812 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.777 -7.007 8.482 1.00 0.00 H new ATOM 1326 N THR A 87 -3.688 -9.511 6.484 1.00 0.00 N ATOM 1327 CA THR A 87 -3.321 -9.787 5.101 1.00 0.00 C ATOM 1328 C THR A 87 -3.982 -8.796 4.149 1.00 0.00 C ATOM 1329 O THR A 87 -5.194 -8.837 3.937 1.00 0.00 O ATOM 1330 CB THR A 87 -3.716 -11.217 4.689 1.00 0.00 C ATOM 1331 OG1 THR A 87 -3.623 -12.095 5.817 1.00 0.00 O ATOM 1332 CG2 THR A 87 -2.821 -11.725 3.569 1.00 0.00 C ATOM 0 H THR A 87 -4.693 -9.456 6.651 1.00 0.00 H new ATOM 0 HA THR A 87 -2.238 -9.684 5.035 1.00 0.00 H new ATOM 0 HB THR A 87 -4.745 -11.196 4.329 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.877 -13.002 5.547 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.120 -12.737 3.295 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.917 -11.071 2.702 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.784 -11.731 3.906 1.00 0.00 H new ATOM 1340 N PHE A 88 -3.178 -7.905 3.578 1.00 0.00 N ATOM 1341 CA PHE A 88 -3.685 -6.903 2.648 1.00 0.00 C ATOM 1342 C PHE A 88 -3.382 -7.296 1.205 1.00 0.00 C ATOM 1343 O PHE A 88 -2.476 -6.747 0.578 1.00 0.00 O ATOM 1344 CB PHE A 88 -3.072 -5.535 2.955 1.00 0.00 C ATOM 1345 CG PHE A 88 -3.563 -4.933 4.241 1.00 0.00 C ATOM 1346 CD1 PHE A 88 -3.246 -5.513 5.458 1.00 0.00 C ATOM 1347 CD2 PHE A 88 -4.340 -3.786 4.231 1.00 0.00 C ATOM 1348 CE1 PHE A 88 -3.698 -4.962 6.642 1.00 0.00 C ATOM 1349 CE2 PHE A 88 -4.794 -3.230 5.412 1.00 0.00 C ATOM 1350 CZ PHE A 88 -4.471 -3.818 6.619 1.00 0.00 C ATOM 0 H PHE A 88 -2.173 -7.857 3.743 1.00 0.00 H new ATOM 0 HA PHE A 88 -4.767 -6.845 2.770 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.987 -5.634 3.000 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.296 -4.853 2.135 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.639 -6.406 5.482 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -4.594 -3.321 3.290 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.447 -5.426 7.584 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -5.401 -2.337 5.391 1.00 0.00 H new ATOM 0 HZ PHE A 88 -4.822 -3.384 7.543 1.00 0.00 H new ATOM 1360 N TYR A 89 -4.145 -8.252 0.686 1.00 0.00 N ATOM 1361 CA TYR A 89 -3.957 -8.722 -0.681 1.00 0.00 C ATOM 1362 C TYR A 89 -4.068 -7.569 -1.674 1.00 0.00 C ATOM 1363 O TYR A 89 -4.898 -6.673 -1.513 1.00 0.00 O ATOM 1364 CB TYR A 89 -4.988 -9.801 -1.018 1.00 0.00 C ATOM 1365 CG TYR A 89 -4.916 -11.010 -0.113 1.00 0.00 C ATOM 1366 CD1 TYR A 89 -5.648 -11.063 1.067 1.00 0.00 C ATOM 1367 CD2 TYR A 89 -4.119 -12.100 -0.439 1.00 0.00 C ATOM 1368 CE1 TYR A 89 -5.585 -12.165 1.897 1.00 0.00 C ATOM 1369 CE2 TYR A 89 -4.051 -13.207 0.384 1.00 0.00 C ATOM 1370 CZ TYR A 89 -4.785 -13.235 1.551 1.00 0.00 C ATOM 1371 OH TYR A 89 -4.722 -14.336 2.375 1.00 0.00 O ATOM 0 H TYR A 89 -4.899 -8.716 1.192 1.00 0.00 H new ATOM 0 HA TYR A 89 -2.957 -9.148 -0.757 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -5.987 -9.370 -0.955 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -4.843 -10.121 -2.050 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -6.277 -10.228 1.340 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -3.542 -12.081 -1.352 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -6.159 -12.189 2.812 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -3.426 -14.046 0.115 1.00 0.00 H new ATOM 0 HH TYR A 89 -4.115 -15.001 1.987 1.00 0.00 H new ATOM 1381 N LEU A 90 -3.226 -7.598 -2.701 1.00 0.00 N ATOM 1382 CA LEU A 90 -3.228 -6.556 -3.722 1.00 0.00 C ATOM 1383 C LEU A 90 -4.008 -7.003 -4.954 1.00 0.00 C ATOM 1384 O LEU A 90 -4.229 -8.196 -5.163 1.00 0.00 O ATOM 1385 CB LEU A 90 -1.794 -6.196 -4.115 1.00 0.00 C ATOM 1386 CG LEU A 90 -0.905 -5.662 -2.992 1.00 0.00 C ATOM 1387 CD1 LEU A 90 -1.656 -4.636 -2.158 1.00 0.00 C ATOM 1388 CD2 LEU A 90 -0.409 -6.804 -2.116 1.00 0.00 C ATOM 0 H LEU A 90 -2.533 -8.332 -2.849 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.716 -5.675 -3.306 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.320 -7.083 -4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.832 -5.449 -4.908 1.00 0.00 H new ATOM 0 HG LEU A 90 -0.041 -5.172 -3.441 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.007 -4.267 -1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.961 -3.804 -2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.539 -5.100 -1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.222 -6.406 -1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.261 -7.322 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.168 -7.503 -2.722 1.00 0.00 H new ATOM 1400 N PHE A 91 -4.421 -6.038 -5.769 1.00 0.00 N ATOM 1401 CA PHE A 91 -5.175 -6.332 -6.982 1.00 0.00 C ATOM 1402 C PHE A 91 -5.274 -5.098 -7.874 1.00 0.00 C ATOM 1403 O PHE A 91 -4.892 -3.998 -7.474 1.00 0.00 O ATOM 1404 CB PHE A 91 -6.577 -6.833 -6.628 1.00 0.00 C ATOM 1405 CG PHE A 91 -6.705 -8.329 -6.656 1.00 0.00 C ATOM 1406 CD1 PHE A 91 -6.553 -9.028 -7.842 1.00 0.00 C ATOM 1407 CD2 PHE A 91 -6.977 -9.036 -5.496 1.00 0.00 C ATOM 1408 CE1 PHE A 91 -6.669 -10.405 -7.872 1.00 0.00 C ATOM 1409 CE2 PHE A 91 -7.094 -10.413 -5.519 1.00 0.00 C ATOM 1410 CZ PHE A 91 -6.941 -11.098 -6.709 1.00 0.00 C ATOM 0 H PHE A 91 -4.246 -5.046 -5.611 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.645 -7.112 -7.529 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.843 -6.472 -5.634 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -7.295 -6.402 -7.326 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.341 -8.491 -8.755 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.099 -8.505 -4.563 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.547 -10.938 -8.803 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.305 -10.953 -4.608 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.034 -12.174 -6.730 1.00 0.00 H new ATOM 1420 N ASP A 92 -5.788 -5.290 -9.084 1.00 0.00 N ATOM 1421 CA ASP A 92 -5.937 -4.193 -10.033 1.00 0.00 C ATOM 1422 C ASP A 92 -7.405 -3.977 -10.387 1.00 0.00 C ATOM 1423 O ASP A 92 -8.295 -4.572 -9.779 1.00 0.00 O ATOM 1424 CB ASP A 92 -5.130 -4.475 -11.302 1.00 0.00 C ATOM 1425 CG ASP A 92 -4.593 -3.209 -11.940 1.00 0.00 C ATOM 1426 OD1 ASP A 92 -4.384 -2.218 -11.208 1.00 0.00 O ATOM 1427 OD2 ASP A 92 -4.382 -3.208 -13.170 1.00 0.00 O ATOM 0 H ASP A 92 -6.108 -6.194 -9.431 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.557 -3.285 -9.564 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.299 -5.138 -11.061 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.759 -5.001 -12.020 1.00 0.00 H new ATOM 1432 N ASP A 93 -7.651 -3.122 -11.374 1.00 0.00 N ATOM 1433 CA ASP A 93 -9.012 -2.827 -11.809 1.00 0.00 C ATOM 1434 C ASP A 93 -9.580 -3.979 -12.632 1.00 0.00 C ATOM 1435 O ASP A 93 -10.776 -4.018 -12.919 1.00 0.00 O ATOM 1436 CB ASP A 93 -9.039 -1.536 -12.628 1.00 0.00 C ATOM 1437 CG ASP A 93 -10.117 -0.577 -12.162 1.00 0.00 C ATOM 1438 OD1 ASP A 93 -11.289 -0.999 -12.076 1.00 0.00 O ATOM 1439 OD2 ASP A 93 -9.788 0.595 -11.883 1.00 0.00 O ATOM 0 H ASP A 93 -6.926 -2.621 -11.888 1.00 0.00 H new ATOM 0 HA ASP A 93 -9.632 -2.698 -10.922 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.068 -1.046 -12.561 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -9.202 -1.779 -13.678 1.00 0.00 H new ATOM 1444 N ALA A 94 -8.715 -4.914 -13.009 1.00 0.00 N ATOM 1445 CA ALA A 94 -9.131 -6.067 -13.798 1.00 0.00 C ATOM 1446 C ALA A 94 -9.231 -7.318 -12.931 1.00 0.00 C ATOM 1447 O ALA A 94 -9.661 -8.373 -13.395 1.00 0.00 O ATOM 1448 CB ALA A 94 -8.163 -6.296 -14.949 1.00 0.00 C ATOM 0 H ALA A 94 -7.721 -4.896 -12.781 1.00 0.00 H new ATOM 0 HA ALA A 94 -10.120 -5.859 -14.206 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -8.486 -7.160 -15.530 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.145 -5.414 -15.590 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.164 -6.478 -14.553 1.00 0.00 H new ATOM 1454 N GLY A 95 -8.830 -7.193 -11.670 1.00 0.00 N ATOM 1455 CA GLY A 95 -8.882 -8.321 -10.759 1.00 0.00 C ATOM 1456 C GLY A 95 -7.676 -9.229 -10.892 1.00 0.00 C ATOM 1457 O GLY A 95 -7.774 -10.437 -10.681 1.00 0.00 O ATOM 0 H GLY A 95 -8.470 -6.330 -11.263 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -8.946 -7.954 -9.735 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -9.788 -8.896 -10.949 1.00 0.00 H new ATOM 1461 N GLU A 96 -6.534 -8.646 -11.245 1.00 0.00 N ATOM 1462 CA GLU A 96 -5.304 -9.413 -11.408 1.00 0.00 C ATOM 1463 C GLU A 96 -4.192 -8.850 -10.528 1.00 0.00 C ATOM 1464 O GLU A 96 -3.990 -7.638 -10.465 1.00 0.00 O ATOM 1465 CB GLU A 96 -4.863 -9.406 -12.874 1.00 0.00 C ATOM 1466 CG GLU A 96 -4.510 -8.023 -13.396 1.00 0.00 C ATOM 1467 CD GLU A 96 -4.391 -7.984 -14.907 1.00 0.00 C ATOM 1468 OE1 GLU A 96 -4.493 -9.056 -15.539 1.00 0.00 O ATOM 1469 OE2 GLU A 96 -4.195 -6.880 -15.458 1.00 0.00 O ATOM 0 H GLU A 96 -6.435 -7.647 -11.423 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.502 -10.440 -11.101 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.998 -10.060 -12.988 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.662 -9.824 -13.487 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.272 -7.312 -13.077 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.568 -7.701 -12.952 1.00 0.00 H new ATOM 1476 N GLU A 97 -3.473 -9.741 -9.851 1.00 0.00 N ATOM 1477 CA GLU A 97 -2.382 -9.333 -8.974 1.00 0.00 C ATOM 1478 C GLU A 97 -1.122 -9.030 -9.778 1.00 0.00 C ATOM 1479 O GLU A 97 -0.236 -9.874 -9.905 1.00 0.00 O ATOM 1480 CB GLU A 97 -2.092 -10.425 -7.943 1.00 0.00 C ATOM 1481 CG GLU A 97 -2.867 -10.260 -6.646 1.00 0.00 C ATOM 1482 CD GLU A 97 -3.265 -11.588 -6.031 1.00 0.00 C ATOM 1483 OE1 GLU A 97 -3.744 -12.468 -6.776 1.00 0.00 O ATOM 1484 OE2 GLU A 97 -3.096 -11.747 -4.804 1.00 0.00 O ATOM 0 H GLU A 97 -3.627 -10.748 -9.893 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.688 -8.425 -8.455 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.330 -11.396 -8.378 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.025 -10.429 -7.721 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.260 -9.701 -5.933 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.763 -9.668 -6.835 1.00 0.00 H new ATOM 1491 N ASN A 98 -1.050 -7.818 -10.320 1.00 0.00 N ATOM 1492 CA ASN A 98 0.101 -7.403 -11.114 1.00 0.00 C ATOM 1493 C ASN A 98 0.640 -6.060 -10.629 1.00 0.00 C ATOM 1494 O ASN A 98 -0.019 -5.354 -9.865 1.00 0.00 O ATOM 1495 CB ASN A 98 -0.279 -7.309 -12.593 1.00 0.00 C ATOM 1496 CG ASN A 98 -0.658 -8.656 -13.178 1.00 0.00 C ATOM 1497 OD1 ASN A 98 -1.620 -8.653 -14.094 1.00 0.00 O flip ATOM 1498 ND2 ASN A 98 -0.093 -9.686 -12.812 1.00 0.00 N flip ATOM 0 H ASN A 98 -1.775 -7.107 -10.224 1.00 0.00 H new ATOM 0 HA ASN A 98 0.883 -8.153 -10.995 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -1.114 -6.618 -12.708 1.00 0.00 H new ATOM 0 HB3 ASN A 98 0.558 -6.894 -13.155 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.641 -9.641 -12.105 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -0.359 -10.584 -13.215 1.00 0.00 H new ATOM 1505 N PHE A 99 1.841 -5.713 -11.080 1.00 0.00 N ATOM 1506 CA PHE A 99 2.468 -4.455 -10.693 1.00 0.00 C ATOM 1507 C PHE A 99 1.860 -3.285 -11.461 1.00 0.00 C ATOM 1508 O PHE A 99 2.553 -2.586 -12.200 1.00 0.00 O ATOM 1509 CB PHE A 99 3.977 -4.514 -10.943 1.00 0.00 C ATOM 1510 CG PHE A 99 4.639 -5.714 -10.329 1.00 0.00 C ATOM 1511 CD1 PHE A 99 4.081 -6.342 -9.227 1.00 0.00 C ATOM 1512 CD2 PHE A 99 5.820 -6.215 -10.854 1.00 0.00 C ATOM 1513 CE1 PHE A 99 4.689 -7.445 -8.659 1.00 0.00 C ATOM 1514 CE2 PHE A 99 6.432 -7.319 -10.291 1.00 0.00 C ATOM 1515 CZ PHE A 99 5.865 -7.935 -9.192 1.00 0.00 C ATOM 0 H PHE A 99 2.399 -6.285 -11.714 1.00 0.00 H new ATOM 0 HA PHE A 99 2.288 -4.301 -9.629 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.159 -4.518 -12.018 1.00 0.00 H new ATOM 0 HB3 PHE A 99 4.439 -3.611 -10.545 1.00 0.00 H new ATOM 0 HD1 PHE A 99 3.160 -5.965 -8.807 1.00 0.00 H new ATOM 0 HD2 PHE A 99 6.267 -5.737 -11.713 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.245 -7.924 -7.799 1.00 0.00 H new ATOM 0 HE2 PHE A 99 7.352 -7.700 -10.710 1.00 0.00 H new ATOM 0 HZ PHE A 99 6.341 -8.798 -8.750 1.00 0.00 H new ATOM 1525 N SER A 100 0.559 -3.078 -11.280 1.00 0.00 N ATOM 1526 CA SER A 100 -0.144 -1.996 -11.958 1.00 0.00 C ATOM 1527 C SER A 100 -0.029 -0.695 -11.170 1.00 0.00 C ATOM 1528 O SER A 100 0.187 -0.707 -9.958 1.00 0.00 O ATOM 1529 CB SER A 100 -1.618 -2.360 -12.151 1.00 0.00 C ATOM 1530 OG SER A 100 -1.956 -2.405 -13.526 1.00 0.00 O ATOM 0 H SER A 100 -0.029 -3.646 -10.670 1.00 0.00 H new ATOM 0 HA SER A 100 0.319 -1.851 -12.934 1.00 0.00 H new ATOM 0 HB2 SER A 100 -1.820 -3.328 -11.692 1.00 0.00 H new ATOM 0 HB3 SER A 100 -2.246 -1.628 -11.643 1.00 0.00 H new ATOM 0 HG SER A 100 -2.930 -2.358 -13.625 1.00 0.00 H new ATOM 1536 N SER A 101 -0.175 0.427 -11.867 1.00 0.00 N ATOM 1537 CA SER A 101 -0.084 1.738 -11.234 1.00 0.00 C ATOM 1538 C SER A 101 -1.013 1.824 -10.027 1.00 0.00 C ATOM 1539 O SER A 101 -0.746 2.559 -9.076 1.00 0.00 O ATOM 1540 CB SER A 101 -0.432 2.838 -12.239 1.00 0.00 C ATOM 1541 OG SER A 101 0.677 3.690 -12.467 1.00 0.00 O ATOM 0 H SER A 101 -0.357 0.455 -12.870 1.00 0.00 H new ATOM 0 HA SER A 101 0.941 1.879 -10.892 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.749 2.388 -13.180 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.273 3.423 -11.866 1.00 0.00 H new ATOM 0 HG SER A 101 0.429 4.383 -13.114 1.00 0.00 H new ATOM 1547 N ARG A 102 -2.105 1.069 -10.073 1.00 0.00 N ATOM 1548 CA ARG A 102 -3.075 1.060 -8.985 1.00 0.00 C ATOM 1549 C ARG A 102 -3.151 -0.319 -8.336 1.00 0.00 C ATOM 1550 O ARG A 102 -3.348 -1.326 -9.016 1.00 0.00 O ATOM 1551 CB ARG A 102 -4.456 1.470 -9.500 1.00 0.00 C ATOM 1552 CG ARG A 102 -5.562 1.313 -8.469 1.00 0.00 C ATOM 1553 CD ARG A 102 -6.256 2.637 -8.191 1.00 0.00 C ATOM 1554 NE ARG A 102 -5.305 3.692 -7.848 1.00 0.00 N ATOM 1555 CZ ARG A 102 -5.586 4.988 -7.926 1.00 0.00 C ATOM 1556 NH1 ARG A 102 -6.783 5.387 -8.333 1.00 0.00 N ATOM 1557 NH2 ARG A 102 -4.668 5.887 -7.596 1.00 0.00 N ATOM 0 H ARG A 102 -2.340 0.455 -10.853 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.747 1.779 -8.234 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -4.419 2.510 -9.825 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.700 0.870 -10.377 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -6.292 0.586 -8.825 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -5.144 0.918 -7.543 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -6.829 2.937 -9.068 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -6.966 2.510 -7.374 1.00 0.00 H new ATOM 0 HE ARG A 102 -4.375 3.418 -7.531 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -7.491 4.698 -8.587 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -6.996 6.383 -8.392 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -3.746 5.583 -7.282 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.884 6.882 -7.656 1.00 0.00 H new ATOM 1571 N MET A 103 -2.993 -0.356 -7.017 1.00 0.00 N ATOM 1572 CA MET A 103 -3.045 -1.611 -6.276 1.00 0.00 C ATOM 1573 C MET A 103 -4.095 -1.548 -5.171 1.00 0.00 C ATOM 1574 O MET A 103 -3.920 -0.846 -4.175 1.00 0.00 O ATOM 1575 CB MET A 103 -1.675 -1.930 -5.675 1.00 0.00 C ATOM 1576 CG MET A 103 -0.917 -3.010 -6.430 1.00 0.00 C ATOM 1577 SD MET A 103 0.868 -2.899 -6.196 1.00 0.00 S ATOM 1578 CE MET A 103 0.959 -2.589 -4.434 1.00 0.00 C ATOM 0 H MET A 103 -2.828 0.468 -6.439 1.00 0.00 H new ATOM 0 HA MET A 103 -3.323 -2.403 -6.972 1.00 0.00 H new ATOM 0 HB2 MET A 103 -1.074 -1.021 -5.658 1.00 0.00 H new ATOM 0 HB3 MET A 103 -1.806 -2.245 -4.640 1.00 0.00 H new ATOM 0 HG2 MET A 103 -1.263 -3.990 -6.099 1.00 0.00 H new ATOM 0 HG3 MET A 103 -1.146 -2.933 -7.493 1.00 0.00 H new ATOM 0 HE1 MET A 103 2.004 -2.549 -4.125 1.00 0.00 H new ATOM 0 HE2 MET A 103 0.476 -1.639 -4.206 1.00 0.00 H new ATOM 0 HE3 MET A 103 0.452 -3.391 -3.897 1.00 0.00 H new ATOM 1588 N TYR A 104 -5.186 -2.283 -5.356 1.00 0.00 N ATOM 1589 CA TYR A 104 -6.265 -2.308 -4.376 1.00 0.00 C ATOM 1590 C TYR A 104 -5.925 -3.235 -3.213 1.00 0.00 C ATOM 1591 O TYR A 104 -5.615 -4.411 -3.412 1.00 0.00 O ATOM 1592 CB TYR A 104 -7.571 -2.758 -5.035 1.00 0.00 C ATOM 1593 CG TYR A 104 -8.137 -1.747 -6.007 1.00 0.00 C ATOM 1594 CD1 TYR A 104 -8.183 -0.396 -5.687 1.00 0.00 C ATOM 1595 CD2 TYR A 104 -8.625 -2.144 -7.246 1.00 0.00 C ATOM 1596 CE1 TYR A 104 -8.701 0.530 -6.572 1.00 0.00 C ATOM 1597 CE2 TYR A 104 -9.143 -1.225 -8.138 1.00 0.00 C ATOM 1598 CZ TYR A 104 -9.179 0.111 -7.796 1.00 0.00 C ATOM 1599 OH TYR A 104 -9.694 1.030 -8.681 1.00 0.00 O ATOM 0 H TYR A 104 -5.346 -2.869 -6.175 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.390 -1.298 -3.987 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -7.399 -3.698 -5.560 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.310 -2.957 -4.259 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -7.808 -0.064 -4.730 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.599 -3.189 -7.516 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -8.731 1.576 -6.307 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -9.518 -1.551 -9.097 1.00 0.00 H new ATOM 0 HH TYR A 104 -9.644 0.671 -9.591 1.00 0.00 H new ATOM 1609 N CYS A 105 -5.984 -2.698 -2.000 1.00 0.00 N ATOM 1610 CA CYS A 105 -5.682 -3.475 -0.803 1.00 0.00 C ATOM 1611 C CYS A 105 -6.942 -4.132 -0.249 1.00 0.00 C ATOM 1612 O CYS A 105 -7.713 -3.506 0.478 1.00 0.00 O ATOM 1613 CB CYS A 105 -5.047 -2.583 0.263 1.00 0.00 C ATOM 1614 SG CYS A 105 -3.247 -2.720 0.365 1.00 0.00 S ATOM 0 H CYS A 105 -6.238 -1.727 -1.819 1.00 0.00 H new ATOM 0 HA CYS A 105 -4.976 -4.259 -1.078 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -5.310 -1.546 0.057 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -5.475 -2.834 1.233 1.00 0.00 H new ATOM 0 HG CYS A 105 -2.721 -2.387 -0.776 1.00 0.00 H new ATOM 1620 N SER A 106 -7.146 -5.398 -0.599 1.00 0.00 N ATOM 1621 CA SER A 106 -8.316 -6.139 -0.142 1.00 0.00 C ATOM 1622 C SER A 106 -7.977 -6.988 1.081 1.00 0.00 C ATOM 1623 O SER A 106 -6.889 -7.555 1.175 1.00 0.00 O ATOM 1624 CB SER A 106 -8.852 -7.031 -1.263 1.00 0.00 C ATOM 1625 OG SER A 106 -7.850 -7.290 -2.232 1.00 0.00 O ATOM 0 H SER A 106 -6.516 -5.932 -1.198 1.00 0.00 H new ATOM 0 HA SER A 106 -9.085 -5.419 0.138 1.00 0.00 H new ATOM 0 HB2 SER A 106 -9.209 -7.972 -0.844 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.706 -6.549 -1.738 1.00 0.00 H new ATOM 0 HG SER A 106 -8.217 -7.863 -2.937 1.00 0.00 H new ATOM 1631 N PHE A 107 -8.918 -7.069 2.015 1.00 0.00 N ATOM 1632 CA PHE A 107 -8.721 -7.846 3.233 1.00 0.00 C ATOM 1633 C PHE A 107 -8.977 -9.329 2.979 1.00 0.00 C ATOM 1634 O PHE A 107 -8.757 -10.167 3.854 1.00 0.00 O ATOM 1635 CB PHE A 107 -9.646 -7.340 4.342 1.00 0.00 C ATOM 1636 CG PHE A 107 -11.097 -7.645 4.098 1.00 0.00 C ATOM 1637 CD1 PHE A 107 -11.637 -8.860 4.486 1.00 0.00 C ATOM 1638 CD2 PHE A 107 -11.919 -6.716 3.481 1.00 0.00 C ATOM 1639 CE1 PHE A 107 -12.972 -9.144 4.263 1.00 0.00 C ATOM 1640 CE2 PHE A 107 -13.254 -6.994 3.255 1.00 0.00 C ATOM 1641 CZ PHE A 107 -13.781 -8.209 3.647 1.00 0.00 C ATOM 0 H PHE A 107 -9.825 -6.606 1.952 1.00 0.00 H new ATOM 0 HA PHE A 107 -7.685 -7.723 3.549 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -9.343 -7.787 5.289 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -9.522 -6.262 4.444 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -11.008 -9.594 4.968 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -11.512 -5.764 3.173 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -13.381 -10.095 4.570 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -13.884 -6.262 2.772 1.00 0.00 H new ATOM 0 HZ PHE A 107 -14.824 -8.428 3.472 1.00 0.00 H new ATOM 1651 N TYR A 108 -9.442 -9.645 1.776 1.00 0.00 N ATOM 1652 CA TYR A 108 -9.731 -11.025 1.406 1.00 0.00 C ATOM 1653 C TYR A 108 -8.731 -11.534 0.373 1.00 0.00 C ATOM 1654 O TYR A 108 -8.137 -10.766 -0.384 1.00 0.00 O ATOM 1655 CB TYR A 108 -11.153 -11.141 0.855 1.00 0.00 C ATOM 1656 CG TYR A 108 -11.353 -10.424 -0.461 1.00 0.00 C ATOM 1657 CD1 TYR A 108 -11.522 -9.046 -0.506 1.00 0.00 C ATOM 1658 CD2 TYR A 108 -11.371 -11.126 -1.661 1.00 0.00 C ATOM 1659 CE1 TYR A 108 -11.705 -8.387 -1.706 1.00 0.00 C ATOM 1660 CE2 TYR A 108 -11.552 -10.475 -2.866 1.00 0.00 C ATOM 1661 CZ TYR A 108 -11.719 -9.106 -2.884 1.00 0.00 C ATOM 1662 OH TYR A 108 -11.900 -8.454 -4.082 1.00 0.00 O ATOM 0 H TYR A 108 -9.627 -8.964 1.040 1.00 0.00 H new ATOM 0 HA TYR A 108 -9.644 -11.639 2.302 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.399 -12.195 0.726 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -11.852 -10.738 1.588 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -11.510 -8.480 0.414 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -11.241 -12.198 -1.651 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.836 -7.315 -1.722 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -11.563 -11.035 -3.789 1.00 0.00 H new ATOM 0 HH TYR A 108 -11.883 -9.105 -4.814 1.00 0.00 H new ATOM 1672 N PRO A 109 -8.539 -12.861 0.340 1.00 0.00 N ATOM 1673 CA PRO A 109 -7.611 -13.503 -0.596 1.00 0.00 C ATOM 1674 C PRO A 109 -8.106 -13.440 -2.037 1.00 0.00 C ATOM 1675 O PRO A 109 -9.257 -13.098 -2.310 1.00 0.00 O ATOM 1676 CB PRO A 109 -7.565 -14.954 -0.110 1.00 0.00 C ATOM 1677 CG PRO A 109 -8.863 -15.160 0.591 1.00 0.00 C ATOM 1678 CD PRO A 109 -9.212 -13.836 1.213 1.00 0.00 C ATOM 0 HA PRO A 109 -6.638 -13.012 -0.607 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -7.451 -15.647 -0.943 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -6.722 -15.120 0.561 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -9.637 -15.480 -0.107 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -8.778 -15.937 1.350 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -10.290 -13.676 1.238 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -8.855 -13.768 2.241 1.00 0.00 H new ATOM 1686 N PRO A 110 -7.218 -13.777 -2.984 1.00 0.00 N ATOM 1687 CA PRO A 110 -7.542 -13.768 -4.414 1.00 0.00 C ATOM 1688 C PRO A 110 -8.517 -14.877 -4.794 1.00 0.00 C ATOM 1689 O PRO A 110 -9.507 -14.636 -5.484 1.00 0.00 O ATOM 1690 CB PRO A 110 -6.186 -13.993 -5.087 1.00 0.00 C ATOM 1691 CG PRO A 110 -5.372 -14.713 -4.068 1.00 0.00 C ATOM 1692 CD PRO A 110 -5.828 -14.195 -2.732 1.00 0.00 C ATOM 0 HA PRO A 110 -8.033 -12.843 -4.715 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.289 -14.581 -5.999 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.722 -13.048 -5.368 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.521 -15.790 -4.140 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.308 -14.527 -4.216 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -5.773 -14.965 -1.963 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.213 -13.361 -2.393 1.00 0.00 H new ATOM 1700 N ASP A 111 -8.230 -16.092 -4.340 1.00 0.00 N ATOM 1701 CA ASP A 111 -9.082 -17.238 -4.632 1.00 0.00 C ATOM 1702 C ASP A 111 -8.535 -18.503 -3.977 1.00 0.00 C ATOM 1703 O ASP A 111 -9.297 -19.369 -3.548 1.00 0.00 O ATOM 1704 CB ASP A 111 -9.199 -17.442 -6.144 1.00 0.00 C ATOM 1705 CG ASP A 111 -10.613 -17.230 -6.648 1.00 0.00 C ATOM 1706 OD1 ASP A 111 -11.486 -18.066 -6.336 1.00 0.00 O ATOM 1707 OD2 ASP A 111 -10.846 -16.227 -7.357 1.00 0.00 O ATOM 0 H ASP A 111 -7.414 -16.308 -3.768 1.00 0.00 H new ATOM 0 HA ASP A 111 -10.072 -17.037 -4.222 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -8.527 -16.752 -6.654 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -8.873 -18.451 -6.398 1.00 0.00 H new ATOM 1712 N GLU A 112 -7.212 -18.601 -3.905 1.00 0.00 N ATOM 1713 CA GLU A 112 -6.564 -19.761 -3.304 1.00 0.00 C ATOM 1714 C GLU A 112 -7.124 -20.036 -1.911 1.00 0.00 C ATOM 1715 O GLU A 112 -6.994 -19.212 -1.006 1.00 0.00 O ATOM 1716 CB GLU A 112 -5.051 -19.544 -3.224 1.00 0.00 C ATOM 1717 CG GLU A 112 -4.240 -20.714 -3.756 1.00 0.00 C ATOM 1718 CD GLU A 112 -3.443 -20.355 -4.995 1.00 0.00 C ATOM 1719 OE1 GLU A 112 -3.995 -20.467 -6.109 1.00 0.00 O ATOM 1720 OE2 GLU A 112 -2.266 -19.963 -4.850 1.00 0.00 O ATOM 0 H GLU A 112 -6.568 -17.892 -4.255 1.00 0.00 H new ATOM 0 HA GLU A 112 -6.767 -20.626 -3.936 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -4.791 -18.647 -3.786 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.773 -19.362 -2.186 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.560 -21.063 -2.979 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.911 -21.541 -3.987 1.00 0.00 H new TER 1727 GLU A 112