USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 614 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 16 THR OG1 : rot 179:sc= 0.612 USER MOD Set 1.2: A 18 THR OG1 : rot -44:sc= 1.33 USER MOD Set 1.3: A 20 THR OG1 : rot 78:sc= 0.962 USER MOD Set 1.4: A 67 ASN : amide:sc= -0.0134 K(o=2.9,f=-7.6!) USER MOD Set 2.1: A 37 THR OG1 : rot 141:sc= 2.7 USER MOD Set 2.2: A 40 THR OG1 : rot -68:sc= 1.71 USER MOD Set 2.3: A 41 ASN : amide:sc= -2.49! C(o=1.9!,f=-0.63!) USER MOD Set 3.1: A 23 GLN : amide:sc= -0.758 K(o=-4,f=-15!) USER MOD Set 3.2: A 33 HIS : no HE2:sc= -3.27 K(o=-4,f=-9.4!) USER MOD Set 4.1: A 2 MET CE :methyl 150:sc= 0 (180deg=-0.794) USER MOD Set 4.2: A 79 GLN : amide:sc= -0.859 K(o=-0.86,f=-13!) USER MOD Single : A 5 ASN : amide:sc= 0.288 K(o=0.29,f=-2.8!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot -150:sc= -0.249 USER MOD Single : A -3 ASN :FLIP amide:sc= -0.049 F(o=-0.81,f=-0.049) USER MOD Single : A -4 SER N :NH3+ 137:sc= 0.194 (180deg=0.00402) USER MOD Single : A -4 SER OG : rot 180:sc= 0.095 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 28 GLN : amide:sc= -0.984! C(o=-0.98!,f=-8!) USER MOD Single : A 31 HIS : no HD1:sc= -2.59! C(o=-2.6!,f=-6.1!) USER MOD Single : A 34 SER OG : rot -51:sc= 0.398 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 0.865 K(o=0.87,f=-3.2!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.298 K(o=0.3,f=-9!) USER MOD Single : A 64 TYR OH : rot 110:sc= -0.29 USER MOD Single : A 65 THR OG1 : rot -82:sc= 0.0786 USER MOD Single : A 66 THR OG1 : rot 170:sc= -0.122 USER MOD Single : A 70 LYS NZ :NH3+ -117:sc= -0.0208 (180deg=-0.417) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -4 3.467 37.929 -3.141 1.00 0.00 N ATOM 2 CA SER A -4 4.009 36.620 -2.726 1.00 0.00 C ATOM 3 C SER A -4 2.922 35.558 -2.834 1.00 0.00 C ATOM 4 O SER A -4 1.735 35.868 -2.732 1.00 0.00 O ATOM 5 CB SER A -4 4.500 36.711 -1.282 1.00 0.00 C ATOM 6 OG SER A -4 5.240 37.904 -1.071 1.00 0.00 O ATOM 0 H1 SER A -4 3.793 38.664 -2.482 1.00 0.00 H new ATOM 0 H2 SER A -4 3.798 38.153 -4.101 1.00 0.00 H new ATOM 0 H3 SER A -4 2.428 37.893 -3.133 1.00 0.00 H new ATOM 0 HA SER A -4 4.841 36.347 -3.376 1.00 0.00 H new ATOM 0 HB2 SER A -4 3.649 36.682 -0.602 1.00 0.00 H new ATOM 0 HB3 SER A -4 5.123 35.847 -1.051 1.00 0.00 H new ATOM 0 HG SER A -4 5.542 37.941 -0.140 1.00 0.00 H new ATOM 14 N ASN A -3 3.321 34.308 -3.036 1.00 0.00 N ATOM 15 CA ASN A -3 2.363 33.214 -3.158 1.00 0.00 C ATOM 16 C ASN A -3 1.954 32.742 -1.770 1.00 0.00 C ATOM 17 O ASN A -3 1.060 31.912 -1.618 1.00 0.00 O ATOM 18 CB ASN A -3 2.961 32.051 -3.964 1.00 0.00 C ATOM 19 CG ASN A -3 1.931 30.994 -4.336 1.00 0.00 C ATOM 20 OD1 ASN A -3 1.808 29.958 -3.515 1.00 0.00 O flip ATOM 21 ND2 ASN A -3 1.261 31.101 -5.364 1.00 0.00 N flip ATOM 0 H ASN A -3 4.298 34.026 -3.119 1.00 0.00 H new ATOM 0 HA ASN A -3 1.483 33.574 -3.691 1.00 0.00 H new ATOM 0 HB2 ASN A -3 3.416 32.443 -4.874 1.00 0.00 H new ATOM 0 HB3 ASN A -3 3.758 31.586 -3.384 1.00 0.00 H new ATOM 0 HD21 ASN A -3 1.383 31.912 -5.970 1.00 0.00 H new ATOM 0 HD22 ASN A -3 0.584 30.379 -5.609 1.00 0.00 H new ATOM 28 N ALA A -2 2.636 33.291 -0.762 1.00 0.00 N ATOM 29 CA ALA A -2 2.362 33.001 0.638 1.00 0.00 C ATOM 30 C ALA A -2 2.738 31.565 0.978 1.00 0.00 C ATOM 31 O ALA A -2 2.266 30.988 1.960 1.00 0.00 O ATOM 32 CB ALA A -2 0.911 33.297 0.966 1.00 0.00 C ATOM 0 H ALA A -2 3.399 33.954 -0.901 1.00 0.00 H new ATOM 0 HA ALA A -2 2.980 33.651 1.257 1.00 0.00 H new ATOM 0 HB1 ALA A -2 0.723 33.075 2.016 1.00 0.00 H new ATOM 0 HB2 ALA A -2 0.702 34.350 0.775 1.00 0.00 H new ATOM 0 HB3 ALA A -2 0.264 32.680 0.343 1.00 0.00 H new ATOM 38 N ASP A -1 3.612 31.005 0.159 1.00 0.00 N ATOM 39 CA ASP A -1 4.139 29.668 0.382 1.00 0.00 C ATOM 40 C ASP A -1 5.359 29.757 1.292 1.00 0.00 C ATOM 41 O ASP A -1 6.482 29.404 0.921 1.00 0.00 O ATOM 42 CB ASP A -1 4.489 29.006 -0.951 1.00 0.00 C ATOM 43 CG ASP A -1 5.056 27.607 -0.792 1.00 0.00 C ATOM 44 OD1 ASP A -1 4.760 26.944 0.225 1.00 0.00 O ATOM 45 OD2 ASP A -1 5.786 27.165 -1.699 1.00 0.00 O ATOM 0 H ASP A -1 3.976 31.462 -0.677 1.00 0.00 H new ATOM 0 HA ASP A -1 3.383 29.051 0.867 1.00 0.00 H new ATOM 0 HB2 ASP A -1 3.595 28.960 -1.573 1.00 0.00 H new ATOM 0 HB3 ASP A -1 5.213 29.627 -1.479 1.00 0.00 H new ATOM 50 N CYS A 1 5.119 30.276 2.479 1.00 0.00 N ATOM 51 CA CYS A 1 6.145 30.450 3.478 1.00 0.00 C ATOM 52 C CYS A 1 5.530 30.376 4.873 1.00 0.00 C ATOM 53 O CYS A 1 4.322 30.560 5.038 1.00 0.00 O ATOM 54 CB CYS A 1 6.878 31.780 3.253 1.00 0.00 C ATOM 55 SG CYS A 1 5.913 33.060 2.373 1.00 0.00 S ATOM 0 H CYS A 1 4.196 30.591 2.777 1.00 0.00 H new ATOM 0 HA CYS A 1 6.878 29.648 3.392 1.00 0.00 H new ATOM 0 HB2 CYS A 1 7.181 32.178 4.221 1.00 0.00 H new ATOM 0 HB3 CYS A 1 7.790 31.583 2.689 1.00 0.00 H new ATOM 60 N MET A 2 6.356 30.092 5.873 1.00 0.00 N ATOM 61 CA MET A 2 5.862 29.912 7.249 1.00 0.00 C ATOM 62 C MET A 2 5.997 31.163 8.093 1.00 0.00 C ATOM 63 O MET A 2 6.881 31.974 7.880 1.00 0.00 O ATOM 64 CB MET A 2 6.605 28.783 7.964 1.00 0.00 C ATOM 65 CG MET A 2 8.119 28.942 7.923 1.00 0.00 C ATOM 66 SD MET A 2 8.965 27.922 9.138 1.00 0.00 S ATOM 67 CE MET A 2 10.676 28.333 8.804 1.00 0.00 C ATOM 0 H MET A 2 7.364 29.980 5.767 1.00 0.00 H new ATOM 0 HA MET A 2 4.805 29.669 7.144 1.00 0.00 H new ATOM 0 HB2 MET A 2 6.278 28.742 9.003 1.00 0.00 H new ATOM 0 HB3 MET A 2 6.333 27.831 7.507 1.00 0.00 H new ATOM 0 HG2 MET A 2 8.479 28.685 6.927 1.00 0.00 H new ATOM 0 HG3 MET A 2 8.374 29.988 8.094 1.00 0.00 H new ATOM 0 HE1 MET A 2 11.257 28.246 9.722 1.00 0.00 H new ATOM 0 HE2 MET A 2 11.075 27.649 8.055 1.00 0.00 H new ATOM 0 HE3 MET A 2 10.738 29.355 8.431 1.00 0.00 H new ATOM 77 N PHE A 3 5.121 31.289 9.076 1.00 0.00 N ATOM 78 CA PHE A 3 5.121 32.427 9.972 1.00 0.00 C ATOM 79 C PHE A 3 5.582 31.975 11.344 1.00 0.00 C ATOM 80 O PHE A 3 4.790 31.481 12.140 1.00 0.00 O ATOM 81 CB PHE A 3 3.717 33.040 10.060 1.00 0.00 C ATOM 82 CG PHE A 3 3.167 33.526 8.746 1.00 0.00 C ATOM 83 CD1 PHE A 3 2.514 32.657 7.884 1.00 0.00 C ATOM 84 CD2 PHE A 3 3.295 34.855 8.377 1.00 0.00 C ATOM 85 CE1 PHE A 3 2.003 33.103 6.680 1.00 0.00 C ATOM 86 CE2 PHE A 3 2.785 35.308 7.175 1.00 0.00 C ATOM 87 CZ PHE A 3 2.138 34.431 6.326 1.00 0.00 C ATOM 0 H PHE A 3 4.391 30.604 9.273 1.00 0.00 H new ATOM 0 HA PHE A 3 5.801 33.188 9.590 1.00 0.00 H new ATOM 0 HB2 PHE A 3 3.035 32.297 10.473 1.00 0.00 H new ATOM 0 HB3 PHE A 3 3.742 33.875 10.761 1.00 0.00 H new ATOM 0 HD1 PHE A 3 2.404 31.618 8.158 1.00 0.00 H new ATOM 0 HD2 PHE A 3 3.799 35.546 9.037 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.499 32.415 6.018 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.892 36.347 6.900 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.738 34.784 5.387 1.00 0.00 H new ATOM 97 N GLY A 4 6.865 32.124 11.609 1.00 0.00 N ATOM 98 CA GLY A 4 7.425 31.603 12.816 1.00 0.00 C ATOM 99 C GLY A 4 7.735 30.138 12.670 1.00 0.00 C ATOM 100 O GLY A 4 8.544 29.750 11.820 1.00 0.00 O ATOM 0 H GLY A 4 7.529 32.602 10.999 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.335 32.149 13.066 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.727 31.752 13.640 1.00 0.00 H new ATOM 104 N ASN A 5 7.007 29.344 13.439 1.00 0.00 N ATOM 105 CA ASN A 5 7.215 27.905 13.547 1.00 0.00 C ATOM 106 C ASN A 5 6.592 27.195 12.363 1.00 0.00 C ATOM 107 O ASN A 5 6.997 26.099 11.997 1.00 0.00 O ATOM 108 CB ASN A 5 6.539 27.382 14.817 1.00 0.00 C ATOM 109 CG ASN A 5 7.036 28.028 16.094 1.00 0.00 C ATOM 110 OD1 ASN A 5 7.662 29.089 16.090 1.00 0.00 O ATOM 111 ND2 ASN A 5 6.705 27.410 17.207 1.00 0.00 N ATOM 0 H ASN A 5 6.240 29.686 14.017 1.00 0.00 H new ATOM 0 HA ASN A 5 8.288 27.715 13.575 1.00 0.00 H new ATOM 0 HB2 ASN A 5 5.464 27.543 14.736 1.00 0.00 H new ATOM 0 HB3 ASN A 5 6.696 26.305 14.882 1.00 0.00 H new ATOM 0 HD21 ASN A 5 6.967 27.808 18.109 1.00 0.00 H new ATOM 0 HD22 ASN A 5 6.186 26.533 17.168 1.00 0.00 H new ATOM 118 N GLY A 6 5.576 27.815 11.785 1.00 0.00 N ATOM 119 CA GLY A 6 4.849 27.176 10.718 1.00 0.00 C ATOM 120 C GLY A 6 3.480 26.727 11.175 1.00 0.00 C ATOM 121 O GLY A 6 2.810 25.945 10.498 1.00 0.00 O ATOM 0 H GLY A 6 5.245 28.746 12.037 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.746 27.867 9.881 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.413 26.317 10.355 1.00 0.00 H new ATOM 125 N LYS A 7 3.067 27.229 12.331 1.00 0.00 N ATOM 126 CA LYS A 7 1.748 26.943 12.873 1.00 0.00 C ATOM 127 C LYS A 7 0.669 27.539 11.969 1.00 0.00 C ATOM 128 O LYS A 7 -0.361 26.918 11.713 1.00 0.00 O ATOM 129 CB LYS A 7 1.650 27.507 14.292 1.00 0.00 C ATOM 130 CG LYS A 7 2.459 26.735 15.313 1.00 0.00 C ATOM 131 CD LYS A 7 2.328 27.353 16.691 1.00 0.00 C ATOM 132 CE LYS A 7 3.214 26.661 17.709 1.00 0.00 C ATOM 133 NZ LYS A 7 3.107 27.276 19.056 1.00 0.00 N ATOM 0 H LYS A 7 3.634 27.843 12.916 1.00 0.00 H new ATOM 0 HA LYS A 7 1.593 25.865 12.914 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.986 28.544 14.285 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.604 27.513 14.599 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.121 25.699 15.342 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.508 26.720 15.015 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.590 28.410 16.641 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.289 27.297 17.016 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.940 25.608 17.770 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.250 26.702 17.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.729 26.771 19.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.393 28.275 19.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.124 27.214 19.389 1.00 0.00 H new ATOM 147 N GLY A 8 0.930 28.748 11.482 1.00 0.00 N ATOM 148 CA GLY A 8 0.086 29.359 10.492 1.00 0.00 C ATOM 149 C GLY A 8 0.766 29.373 9.140 1.00 0.00 C ATOM 150 O GLY A 8 0.502 30.234 8.310 1.00 0.00 O ATOM 0 H GLY A 8 1.727 29.317 11.767 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.856 28.815 10.425 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.156 30.378 10.793 1.00 0.00 H new ATOM 154 N TYR A 9 1.679 28.430 8.940 1.00 0.00 N ATOM 155 CA TYR A 9 2.282 28.208 7.639 1.00 0.00 C ATOM 156 C TYR A 9 1.218 27.695 6.681 1.00 0.00 C ATOM 157 O TYR A 9 0.760 26.570 6.821 1.00 0.00 O ATOM 158 CB TYR A 9 3.415 27.183 7.767 1.00 0.00 C ATOM 159 CG TYR A 9 3.876 26.600 6.456 1.00 0.00 C ATOM 160 CD1 TYR A 9 4.006 27.385 5.323 1.00 0.00 C ATOM 161 CD2 TYR A 9 4.150 25.249 6.351 1.00 0.00 C ATOM 162 CE1 TYR A 9 4.383 26.836 4.120 1.00 0.00 C ATOM 163 CE2 TYR A 9 4.541 24.692 5.154 1.00 0.00 C ATOM 164 CZ TYR A 9 4.649 25.492 4.039 1.00 0.00 C ATOM 165 OH TYR A 9 5.005 24.945 2.832 1.00 0.00 O ATOM 0 H TYR A 9 2.018 27.804 9.671 1.00 0.00 H new ATOM 0 HA TYR A 9 2.694 29.142 7.256 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.264 27.657 8.259 1.00 0.00 H new ATOM 0 HB3 TYR A 9 3.084 26.372 8.415 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.808 28.445 5.385 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.056 24.619 7.223 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.469 27.460 3.243 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.761 23.637 5.090 1.00 0.00 H new ATOM 0 HH TYR A 9 4.707 24.012 2.795 1.00 0.00 H new ATOM 175 N ARG A 10 0.807 28.519 5.728 1.00 0.00 N ATOM 176 CA ARG A 10 -0.278 28.149 4.824 1.00 0.00 C ATOM 177 C ARG A 10 0.258 27.974 3.405 1.00 0.00 C ATOM 178 O ARG A 10 -0.375 28.383 2.429 1.00 0.00 O ATOM 179 CB ARG A 10 -1.378 29.221 4.846 1.00 0.00 C ATOM 180 CG ARG A 10 -1.553 29.906 6.198 1.00 0.00 C ATOM 181 CD ARG A 10 -2.319 29.076 7.220 1.00 0.00 C ATOM 182 NE ARG A 10 -1.670 27.812 7.514 1.00 0.00 N ATOM 183 CZ ARG A 10 -2.031 27.014 8.505 1.00 0.00 C ATOM 184 NH1 ARG A 10 -3.168 27.223 9.154 1.00 0.00 N ATOM 185 NH2 ARG A 10 -1.265 25.986 8.817 1.00 0.00 N ATOM 0 H ARG A 10 1.204 29.443 5.559 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.705 27.204 5.158 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.149 29.977 4.095 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.324 28.762 4.558 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.569 30.144 6.603 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.074 30.852 6.050 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.424 29.649 8.141 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.325 28.885 6.846 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.891 27.522 6.923 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.770 28.003 8.890 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.441 26.604 9.917 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.405 25.814 8.296 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.533 25.363 9.579 1.00 0.00 H new ATOM 199 N GLY A 11 1.433 27.366 3.305 1.00 0.00 N ATOM 200 CA GLY A 11 2.085 27.196 2.021 1.00 0.00 C ATOM 201 C GLY A 11 1.776 25.859 1.378 1.00 0.00 C ATOM 202 O GLY A 11 0.833 25.171 1.777 1.00 0.00 O ATOM 0 H GLY A 11 1.950 26.985 4.097 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.773 27.997 1.351 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.163 27.291 2.151 1.00 0.00 H new ATOM 206 N LYS A 12 2.591 25.470 0.411 1.00 0.00 N ATOM 207 CA LYS A 12 2.287 24.328 -0.428 1.00 0.00 C ATOM 208 C LYS A 12 3.541 23.520 -0.685 1.00 0.00 C ATOM 209 O LYS A 12 3.605 22.735 -1.632 1.00 0.00 O ATOM 210 CB LYS A 12 1.709 24.825 -1.745 1.00 0.00 C ATOM 211 CG LYS A 12 2.692 25.671 -2.536 1.00 0.00 C ATOM 212 CD LYS A 12 1.984 26.504 -3.575 1.00 0.00 C ATOM 213 CE LYS A 12 1.216 25.635 -4.558 1.00 0.00 C ATOM 214 NZ LYS A 12 0.542 26.440 -5.609 1.00 0.00 N ATOM 0 H LYS A 12 3.472 25.933 0.189 1.00 0.00 H new ATOM 0 HA LYS A 12 1.562 23.688 0.075 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.404 23.970 -2.349 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.811 25.410 -1.545 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.243 26.323 -1.858 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.423 25.025 -3.021 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.297 27.193 -3.084 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.712 27.110 -4.115 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.900 24.928 -5.027 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.472 25.049 -4.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.031 25.807 -6.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.130 27.097 -5.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.253 26.980 -6.142 1.00 0.00 H new ATOM 228 N ARG A 13 4.547 23.723 0.149 1.00 0.00 N ATOM 229 CA ARG A 13 5.744 22.926 0.058 1.00 0.00 C ATOM 230 C ARG A 13 5.375 21.505 0.439 1.00 0.00 C ATOM 231 O ARG A 13 4.634 21.293 1.390 1.00 0.00 O ATOM 232 CB ARG A 13 6.833 23.462 0.980 1.00 0.00 C ATOM 233 CG ARG A 13 7.175 24.931 0.776 1.00 0.00 C ATOM 234 CD ARG A 13 7.998 25.176 -0.477 1.00 0.00 C ATOM 235 NE ARG A 13 8.285 26.604 -0.654 1.00 0.00 N ATOM 236 CZ ARG A 13 9.431 27.094 -1.124 1.00 0.00 C ATOM 237 NH1 ARG A 13 10.424 26.281 -1.460 1.00 0.00 N ATOM 238 NH2 ARG A 13 9.573 28.406 -1.272 1.00 0.00 N ATOM 0 H ARG A 13 4.553 24.427 0.887 1.00 0.00 H new ATOM 0 HA ARG A 13 6.141 22.961 -0.957 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.519 23.317 2.014 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.736 22.869 0.835 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.253 25.509 0.718 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.726 25.295 1.644 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.933 24.620 -0.415 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.460 24.800 -1.347 1.00 0.00 H new ATOM 0 HE ARG A 13 7.555 27.269 -0.399 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.313 25.272 -1.359 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.298 26.665 -1.819 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.807 29.033 -1.026 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.448 28.787 -1.631 1.00 0.00 H new ATOM 252 N VAL A 14 5.857 20.547 -0.315 1.00 0.00 N ATOM 253 CA VAL A 14 5.428 19.161 -0.162 1.00 0.00 C ATOM 254 C VAL A 14 6.621 18.236 -0.257 1.00 0.00 C ATOM 255 O VAL A 14 6.542 17.131 -0.790 1.00 0.00 O ATOM 256 CB VAL A 14 4.399 18.791 -1.251 1.00 0.00 C ATOM 257 CG1 VAL A 14 3.045 19.394 -0.930 1.00 0.00 C ATOM 258 CG2 VAL A 14 4.863 19.285 -2.611 1.00 0.00 C ATOM 0 H VAL A 14 6.551 20.694 -1.048 1.00 0.00 H new ATOM 0 HA VAL A 14 4.962 19.050 0.817 1.00 0.00 H new ATOM 0 HB VAL A 14 4.309 17.705 -1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.332 19.123 -1.709 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.696 19.014 0.030 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.133 20.479 -0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.126 19.015 -3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.977 20.369 -2.585 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.820 18.826 -2.858 1.00 0.00 H new ATOM 268 N THR A 15 7.737 18.717 0.241 1.00 0.00 N ATOM 269 CA THR A 15 9.003 18.085 0.058 1.00 0.00 C ATOM 270 C THR A 15 9.892 18.465 1.242 1.00 0.00 C ATOM 271 O THR A 15 10.055 19.652 1.542 1.00 0.00 O ATOM 272 CB THR A 15 9.577 18.585 -1.268 1.00 0.00 C ATOM 273 OG1 THR A 15 8.685 18.275 -2.345 1.00 0.00 O ATOM 274 CG2 THR A 15 10.917 18.000 -1.549 1.00 0.00 C ATOM 0 H THR A 15 7.780 19.574 0.793 1.00 0.00 H new ATOM 0 HA THR A 15 8.929 16.998 0.020 1.00 0.00 H new ATOM 0 HB THR A 15 9.690 19.666 -1.183 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.064 18.602 -3.188 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.288 18.381 -2.500 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.608 18.275 -0.753 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.837 16.914 -1.600 1.00 0.00 H new ATOM 282 N THR A 16 10.433 17.466 1.915 1.00 0.00 N ATOM 283 CA THR A 16 11.124 17.666 3.181 1.00 0.00 C ATOM 284 C THR A 16 12.457 18.400 3.028 1.00 0.00 C ATOM 285 O THR A 16 12.798 18.887 1.947 1.00 0.00 O ATOM 286 CB THR A 16 11.386 16.316 3.862 1.00 0.00 C ATOM 287 OG1 THR A 16 12.217 15.505 3.017 1.00 0.00 O ATOM 288 CG2 THR A 16 10.083 15.590 4.151 1.00 0.00 C ATOM 0 H THR A 16 10.407 16.495 1.603 1.00 0.00 H new ATOM 0 HA THR A 16 10.467 18.288 3.789 1.00 0.00 H new ATOM 0 HB THR A 16 11.892 16.499 4.810 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.398 14.650 3.460 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.297 14.636 4.634 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.465 16.200 4.810 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.551 15.412 3.217 1.00 0.00 H new ATOM 296 N VAL A 17 13.215 18.458 4.120 1.00 0.00 N ATOM 297 CA VAL A 17 14.530 19.077 4.122 1.00 0.00 C ATOM 298 C VAL A 17 15.491 18.318 3.222 1.00 0.00 C ATOM 299 O VAL A 17 16.470 18.867 2.719 1.00 0.00 O ATOM 300 CB VAL A 17 15.136 19.164 5.533 1.00 0.00 C ATOM 301 CG1 VAL A 17 14.426 20.223 6.359 1.00 0.00 C ATOM 302 CG2 VAL A 17 15.093 17.815 6.238 1.00 0.00 C ATOM 0 H VAL A 17 12.933 18.078 5.023 1.00 0.00 H new ATOM 0 HA VAL A 17 14.388 20.090 3.745 1.00 0.00 H new ATOM 0 HB VAL A 17 16.182 19.452 5.428 1.00 0.00 H new ATOM 0 HG11 VAL A 17 14.871 20.268 7.353 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.528 21.193 5.872 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.369 19.969 6.445 1.00 0.00 H new ATOM 0 HG21 VAL A 17 15.529 17.910 7.233 1.00 0.00 H new ATOM 0 HG22 VAL A 17 14.059 17.483 6.325 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.661 17.085 5.662 1.00 0.00 H new ATOM 312 N THR A 18 15.174 17.055 3.000 1.00 0.00 N ATOM 313 CA THR A 18 15.977 16.201 2.148 1.00 0.00 C ATOM 314 C THR A 18 15.437 16.273 0.739 1.00 0.00 C ATOM 315 O THR A 18 16.093 15.896 -0.229 1.00 0.00 O ATOM 316 CB THR A 18 15.899 14.739 2.613 1.00 0.00 C ATOM 317 OG1 THR A 18 14.592 14.212 2.329 1.00 0.00 O ATOM 318 CG2 THR A 18 16.166 14.637 4.102 1.00 0.00 C ATOM 0 H THR A 18 14.357 16.596 3.403 1.00 0.00 H new ATOM 0 HA THR A 18 17.012 16.540 2.193 1.00 0.00 H new ATOM 0 HB THR A 18 16.656 14.165 2.079 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.911 14.867 2.589 1.00 0.00 H new ATOM 0 HG21 THR A 18 16.106 13.594 4.412 1.00 0.00 H new ATOM 0 HG22 THR A 18 17.161 15.024 4.321 1.00 0.00 H new ATOM 0 HG23 THR A 18 15.423 15.220 4.646 1.00 0.00 H new ATOM 326 N GLY A 19 14.229 16.787 0.647 1.00 0.00 N ATOM 327 CA GLY A 19 13.527 16.805 -0.598 1.00 0.00 C ATOM 328 C GLY A 19 12.761 15.522 -0.834 1.00 0.00 C ATOM 329 O GLY A 19 12.422 15.197 -1.971 1.00 0.00 O ATOM 0 H GLY A 19 13.719 17.197 1.429 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.836 17.648 -0.613 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.236 16.959 -1.412 1.00 0.00 H new ATOM 333 N THR A 20 12.497 14.779 0.234 1.00 0.00 N ATOM 334 CA THR A 20 11.552 13.684 0.153 1.00 0.00 C ATOM 335 C THR A 20 10.127 14.235 0.146 1.00 0.00 C ATOM 336 O THR A 20 9.750 14.981 1.043 1.00 0.00 O ATOM 337 CB THR A 20 11.709 12.708 1.333 1.00 0.00 C ATOM 338 OG1 THR A 20 12.992 12.064 1.284 1.00 0.00 O ATOM 339 CG2 THR A 20 10.609 11.665 1.303 1.00 0.00 C ATOM 0 H THR A 20 12.920 14.915 1.152 1.00 0.00 H new ATOM 0 HA THR A 20 11.753 13.140 -0.770 1.00 0.00 H new ATOM 0 HB THR A 20 11.635 13.276 2.260 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.679 12.679 1.616 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.733 10.982 2.143 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.639 12.157 1.375 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.663 11.106 0.369 1.00 0.00 H new ATOM 347 N PRO A 21 9.334 13.917 -0.888 1.00 0.00 N ATOM 348 CA PRO A 21 7.921 14.305 -0.952 1.00 0.00 C ATOM 349 C PRO A 21 7.138 13.953 0.301 1.00 0.00 C ATOM 350 O PRO A 21 7.189 12.818 0.787 1.00 0.00 O ATOM 351 CB PRO A 21 7.396 13.477 -2.107 1.00 0.00 C ATOM 352 CG PRO A 21 8.560 13.342 -3.010 1.00 0.00 C ATOM 353 CD PRO A 21 9.750 13.184 -2.101 1.00 0.00 C ATOM 0 HA PRO A 21 7.816 15.384 -1.062 1.00 0.00 H new ATOM 0 HB2 PRO A 21 7.038 12.504 -1.770 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.561 13.970 -2.604 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.450 12.480 -3.668 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.666 14.219 -3.649 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.960 12.136 -1.888 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.653 13.608 -2.540 1.00 0.00 H new ATOM 361 N CYS A 22 6.423 14.929 0.823 1.00 0.00 N ATOM 362 CA CYS A 22 5.524 14.682 1.943 1.00 0.00 C ATOM 363 C CYS A 22 4.331 13.821 1.525 1.00 0.00 C ATOM 364 O CYS A 22 3.832 13.915 0.402 1.00 0.00 O ATOM 365 CB CYS A 22 5.032 15.998 2.537 1.00 0.00 C ATOM 366 SG CYS A 22 6.376 17.089 3.077 1.00 0.00 S ATOM 0 H CYS A 22 6.443 15.895 0.496 1.00 0.00 H new ATOM 0 HA CYS A 22 6.088 14.137 2.700 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.426 16.519 1.796 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.383 15.785 3.386 1.00 0.00 H new ATOM 371 N GLN A 23 3.913 12.968 2.447 1.00 0.00 N ATOM 372 CA GLN A 23 2.725 12.140 2.308 1.00 0.00 C ATOM 373 C GLN A 23 1.500 12.978 2.547 1.00 0.00 C ATOM 374 O GLN A 23 1.592 14.076 3.095 1.00 0.00 O ATOM 375 CB GLN A 23 2.743 11.053 3.371 1.00 0.00 C ATOM 376 CG GLN A 23 1.721 9.945 3.191 1.00 0.00 C ATOM 377 CD GLN A 23 1.882 8.898 4.260 1.00 0.00 C ATOM 378 OE1 GLN A 23 2.670 7.989 4.103 1.00 0.00 O ATOM 379 NE2 GLN A 23 1.087 8.972 5.316 1.00 0.00 N ATOM 0 H GLN A 23 4.401 12.829 3.332 1.00 0.00 H new ATOM 0 HA GLN A 23 2.711 11.708 1.307 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.737 10.606 3.392 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.582 11.518 4.344 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.714 10.361 3.231 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.839 9.490 2.208 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.438 9.753 5.412 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.124 8.248 6.034 1.00 0.00 H new ATOM 388 N ASP A 24 0.355 12.432 2.208 1.00 0.00 N ATOM 389 CA ASP A 24 -0.879 13.100 2.487 1.00 0.00 C ATOM 390 C ASP A 24 -1.133 12.894 3.948 1.00 0.00 C ATOM 391 O ASP A 24 -1.043 11.769 4.456 1.00 0.00 O ATOM 392 CB ASP A 24 -2.028 12.505 1.694 1.00 0.00 C ATOM 393 CG ASP A 24 -3.228 13.428 1.591 1.00 0.00 C ATOM 394 OD1 ASP A 24 -3.849 13.727 2.630 1.00 0.00 O ATOM 395 OD2 ASP A 24 -3.569 13.837 0.461 1.00 0.00 O ATOM 0 H ASP A 24 0.260 11.530 1.741 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.811 14.153 2.214 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.679 12.260 0.691 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.337 11.570 2.161 1.00 0.00 H new ATOM 400 N TRP A 25 -1.396 13.971 4.619 1.00 0.00 N ATOM 401 CA TRP A 25 -1.698 13.936 6.034 1.00 0.00 C ATOM 402 C TRP A 25 -2.878 13.011 6.279 1.00 0.00 C ATOM 403 O TRP A 25 -2.968 12.353 7.313 1.00 0.00 O ATOM 404 CB TRP A 25 -2.003 15.339 6.542 1.00 0.00 C ATOM 405 CG TRP A 25 -0.916 16.320 6.237 1.00 0.00 C ATOM 406 CD1 TRP A 25 -0.810 17.099 5.131 1.00 0.00 C ATOM 407 CD2 TRP A 25 0.220 16.630 7.052 1.00 0.00 C ATOM 408 NE1 TRP A 25 0.321 17.857 5.200 1.00 0.00 N ATOM 409 CE2 TRP A 25 0.967 17.600 6.375 1.00 0.00 C ATOM 410 CE3 TRP A 25 0.672 16.180 8.284 1.00 0.00 C ATOM 411 CZ2 TRP A 25 2.142 18.134 6.897 1.00 0.00 C ATOM 412 CZ3 TRP A 25 1.831 16.705 8.811 1.00 0.00 C ATOM 413 CH2 TRP A 25 2.557 17.675 8.119 1.00 0.00 C ATOM 0 H TRP A 25 -1.410 14.905 4.210 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.833 13.557 6.578 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -2.934 15.687 6.095 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -2.160 15.303 7.620 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.518 17.116 4.316 1.00 0.00 H new ATOM 0 HE1 TRP A 25 0.635 18.514 4.485 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.120 15.425 8.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 2.705 18.882 6.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.183 16.361 9.773 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.462 18.071 8.555 1.00 0.00 H new ATOM 424 N ALA A 26 -3.774 12.966 5.309 1.00 0.00 N ATOM 425 CA ALA A 26 -4.932 12.090 5.371 1.00 0.00 C ATOM 426 C ALA A 26 -4.599 10.639 5.014 1.00 0.00 C ATOM 427 O ALA A 26 -5.386 9.738 5.320 1.00 0.00 O ATOM 428 CB ALA A 26 -6.043 12.605 4.476 1.00 0.00 C ATOM 0 H ALA A 26 -3.721 13.531 4.461 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.269 12.097 6.407 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.900 11.934 4.537 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.339 13.603 4.801 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.690 12.649 3.446 1.00 0.00 H new ATOM 434 N ALA A 27 -3.452 10.378 4.379 1.00 0.00 N ATOM 435 CA ALA A 27 -3.177 9.043 3.919 1.00 0.00 C ATOM 436 C ALA A 27 -2.375 8.324 4.966 1.00 0.00 C ATOM 437 O ALA A 27 -1.586 8.929 5.661 1.00 0.00 O ATOM 438 CB ALA A 27 -2.429 9.061 2.597 1.00 0.00 C ATOM 0 H ALA A 27 -2.724 11.065 4.182 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.120 8.522 3.754 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.235 8.038 2.275 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.031 9.571 1.845 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.483 9.587 2.721 1.00 0.00 H new ATOM 444 N GLN A 28 -2.573 7.041 5.057 1.00 0.00 N ATOM 445 CA GLN A 28 -1.850 6.204 5.985 1.00 0.00 C ATOM 446 C GLN A 28 -0.819 5.502 5.157 1.00 0.00 C ATOM 447 O GLN A 28 -0.424 4.367 5.418 1.00 0.00 O ATOM 448 CB GLN A 28 -2.786 5.165 6.615 1.00 0.00 C ATOM 449 CG GLN A 28 -3.967 5.761 7.352 1.00 0.00 C ATOM 450 CD GLN A 28 -3.522 6.670 8.464 1.00 0.00 C ATOM 451 OE1 GLN A 28 -3.293 6.228 9.580 1.00 0.00 O ATOM 452 NE2 GLN A 28 -3.384 7.947 8.163 1.00 0.00 N ATOM 0 H GLN A 28 -3.248 6.535 4.484 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.414 6.789 6.795 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.157 4.504 5.832 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.213 4.549 7.308 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.590 6.318 6.652 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.584 4.960 7.760 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.586 8.273 7.218 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.075 8.608 8.875 1.00 0.00 H new ATOM 461 N GLU A 29 -0.426 6.192 4.112 1.00 0.00 N ATOM 462 CA GLU A 29 0.128 5.528 2.984 1.00 0.00 C ATOM 463 C GLU A 29 1.175 6.346 2.249 1.00 0.00 C ATOM 464 O GLU A 29 0.890 7.449 1.797 1.00 0.00 O ATOM 465 CB GLU A 29 -1.040 5.207 2.080 1.00 0.00 C ATOM 466 CG GLU A 29 -1.885 4.046 2.569 1.00 0.00 C ATOM 467 CD GLU A 29 -3.010 3.692 1.622 1.00 0.00 C ATOM 468 OE1 GLU A 29 -4.004 4.452 1.567 1.00 0.00 O ATOM 469 OE2 GLU A 29 -2.926 2.643 0.947 1.00 0.00 O ATOM 0 H GLU A 29 -0.484 7.207 4.031 1.00 0.00 H new ATOM 0 HA GLU A 29 0.661 4.634 3.309 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.671 6.091 1.988 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.665 4.978 1.083 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.247 3.173 2.708 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.303 4.294 3.544 1.00 0.00 H new ATOM 476 N PRO A 30 2.389 5.794 2.080 1.00 0.00 N ATOM 477 CA PRO A 30 2.745 4.445 2.531 1.00 0.00 C ATOM 478 C PRO A 30 3.187 4.403 3.994 1.00 0.00 C ATOM 479 O PRO A 30 3.956 3.533 4.396 1.00 0.00 O ATOM 480 CB PRO A 30 3.922 4.059 1.616 1.00 0.00 C ATOM 481 CG PRO A 30 4.212 5.259 0.764 1.00 0.00 C ATOM 482 CD PRO A 30 3.516 6.428 1.400 1.00 0.00 C ATOM 0 HA PRO A 30 1.892 3.769 2.473 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.796 3.781 2.205 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.667 3.198 0.999 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.286 5.437 0.701 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.854 5.105 -0.254 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.166 6.956 2.098 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.185 7.156 0.659 1.00 0.00 H new ATOM 490 N HIS A 31 2.719 5.361 4.778 1.00 0.00 N ATOM 491 CA HIS A 31 3.051 5.451 6.189 1.00 0.00 C ATOM 492 C HIS A 31 1.780 5.694 6.965 1.00 0.00 C ATOM 493 O HIS A 31 1.166 6.765 6.868 1.00 0.00 O ATOM 494 CB HIS A 31 4.068 6.577 6.440 1.00 0.00 C ATOM 495 CG HIS A 31 5.382 6.341 5.761 1.00 0.00 C ATOM 496 ND1 HIS A 31 5.539 6.405 4.397 1.00 0.00 N ATOM 497 CD2 HIS A 31 6.592 6.008 6.261 1.00 0.00 C ATOM 498 CE1 HIS A 31 6.786 6.116 4.087 1.00 0.00 C ATOM 499 NE2 HIS A 31 7.449 5.873 5.199 1.00 0.00 N ATOM 0 H HIS A 31 2.096 6.100 4.452 1.00 0.00 H new ATOM 0 HA HIS A 31 3.510 4.519 6.519 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.650 7.521 6.091 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.233 6.678 7.513 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.839 5.873 7.304 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.196 6.084 3.088 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.437 5.625 5.260 1.00 0.00 H new ATOM 508 N ARG A 32 1.339 4.693 7.692 1.00 0.00 N ATOM 509 CA ARG A 32 0.088 4.817 8.392 1.00 0.00 C ATOM 510 C ARG A 32 0.281 5.709 9.609 1.00 0.00 C ATOM 511 O ARG A 32 1.231 5.544 10.371 1.00 0.00 O ATOM 512 CB ARG A 32 -0.502 3.443 8.765 1.00 0.00 C ATOM 513 CG ARG A 32 0.515 2.382 9.180 1.00 0.00 C ATOM 514 CD ARG A 32 1.101 2.642 10.554 1.00 0.00 C ATOM 515 NE ARG A 32 0.069 2.745 11.583 1.00 0.00 N ATOM 516 CZ ARG A 32 0.262 3.301 12.774 1.00 0.00 C ATOM 517 NH1 ARG A 32 1.458 3.770 13.102 1.00 0.00 N ATOM 518 NH2 ARG A 32 -0.742 3.381 13.638 1.00 0.00 N ATOM 0 H ARG A 32 1.819 3.801 7.811 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.642 5.283 7.731 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.211 3.581 9.581 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.067 3.066 7.913 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.036 1.403 9.173 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.320 2.349 8.446 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.790 1.837 10.812 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.682 3.564 10.531 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.855 2.367 11.374 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.231 3.704 12.440 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.605 4.197 14.017 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.661 3.016 13.387 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.595 3.808 14.553 1.00 0.00 H new ATOM 532 N HIS A 33 -0.576 6.691 9.752 1.00 0.00 N ATOM 533 CA HIS A 33 -0.471 7.623 10.861 1.00 0.00 C ATOM 534 C HIS A 33 -1.829 8.239 11.158 1.00 0.00 C ATOM 535 O HIS A 33 -2.308 9.130 10.457 1.00 0.00 O ATOM 536 CB HIS A 33 0.566 8.717 10.570 1.00 0.00 C ATOM 537 CG HIS A 33 0.187 9.575 9.414 1.00 0.00 C ATOM 538 ND1 HIS A 33 0.030 10.926 9.498 1.00 0.00 N ATOM 539 CD2 HIS A 33 -0.127 9.245 8.165 1.00 0.00 C ATOM 540 CE1 HIS A 33 -0.369 11.401 8.348 1.00 0.00 C ATOM 541 NE2 HIS A 33 -0.469 10.402 7.508 1.00 0.00 N ATOM 0 H HIS A 33 -1.355 6.870 9.118 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.135 7.071 11.739 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.688 9.341 11.455 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.532 8.253 10.371 1.00 0.00 H new ATOM 0 HD1 HIS A 33 0.199 11.484 10.335 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.115 8.250 7.744 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.580 12.437 8.129 1.00 0.00 H new ATOM 550 N SER A 34 -2.450 7.740 12.186 1.00 0.00 N ATOM 551 CA SER A 34 -3.735 8.255 12.636 1.00 0.00 C ATOM 552 C SER A 34 -3.524 9.515 13.474 1.00 0.00 C ATOM 553 O SER A 34 -4.312 9.827 14.365 1.00 0.00 O ATOM 554 CB SER A 34 -4.472 7.183 13.446 1.00 0.00 C ATOM 555 OG SER A 34 -5.813 7.563 13.719 1.00 0.00 O ATOM 0 H SER A 34 -2.091 6.965 12.744 1.00 0.00 H new ATOM 0 HA SER A 34 -4.344 8.513 11.770 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.465 6.242 12.896 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.945 7.008 14.384 1.00 0.00 H new ATOM 0 HG SER A 34 -5.825 8.462 14.109 1.00 0.00 H new ATOM 561 N ILE A 35 -2.455 10.238 13.163 1.00 0.00 N ATOM 562 CA ILE A 35 -2.051 11.402 13.905 1.00 0.00 C ATOM 563 C ILE A 35 -1.531 12.425 12.929 1.00 0.00 C ATOM 564 O ILE A 35 -0.896 12.069 11.924 1.00 0.00 O ATOM 565 CB ILE A 35 -0.960 11.091 14.952 1.00 0.00 C ATOM 566 CG1 ILE A 35 0.205 10.356 14.286 1.00 0.00 C ATOM 567 CG2 ILE A 35 -1.532 10.285 16.109 1.00 0.00 C ATOM 568 CD1 ILE A 35 1.355 10.048 15.220 1.00 0.00 C ATOM 0 H ILE A 35 -1.843 10.021 12.376 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.918 11.775 14.451 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.587 12.030 15.362 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.164 9.423 13.861 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.575 10.960 13.457 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.744 10.079 16.833 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.327 10.854 16.590 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.935 9.344 15.733 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.140 9.527 14.672 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.753 10.978 15.626 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.002 9.417 16.036 1.00 0.00 H new ATOM 580 N PHE A 36 -1.793 13.678 13.229 1.00 0.00 N ATOM 581 CA PHE A 36 -1.462 14.769 12.357 1.00 0.00 C ATOM 582 C PHE A 36 -2.059 14.552 10.978 1.00 0.00 C ATOM 583 O PHE A 36 -1.384 14.626 9.956 1.00 0.00 O ATOM 584 CB PHE A 36 0.044 14.986 12.315 1.00 0.00 C ATOM 585 CG PHE A 36 0.663 15.042 13.687 1.00 0.00 C ATOM 586 CD1 PHE A 36 0.501 16.159 14.489 1.00 0.00 C ATOM 587 CD2 PHE A 36 1.399 13.975 14.176 1.00 0.00 C ATOM 588 CE1 PHE A 36 1.063 16.214 15.748 1.00 0.00 C ATOM 589 CE2 PHE A 36 1.964 14.024 15.435 1.00 0.00 C ATOM 590 CZ PHE A 36 1.795 15.146 16.223 1.00 0.00 C ATOM 0 H PHE A 36 -2.247 13.965 14.096 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.902 15.684 12.752 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.507 14.181 11.745 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.258 15.915 11.786 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.073 16.998 14.124 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.532 13.094 13.565 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.930 17.093 16.361 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.537 13.186 15.803 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.235 15.187 17.208 1.00 0.00 H new ATOM 600 N THR A 37 -3.331 14.221 10.994 1.00 0.00 N ATOM 601 CA THR A 37 -4.151 14.211 9.807 1.00 0.00 C ATOM 602 C THR A 37 -5.006 15.476 9.803 1.00 0.00 C ATOM 603 O THR A 37 -4.996 16.228 10.784 1.00 0.00 O ATOM 604 CB THR A 37 -5.085 12.979 9.766 1.00 0.00 C ATOM 605 OG1 THR A 37 -6.221 13.189 10.624 1.00 0.00 O ATOM 606 CG2 THR A 37 -4.351 11.715 10.198 1.00 0.00 C ATOM 0 H THR A 37 -3.829 13.949 11.842 1.00 0.00 H new ATOM 0 HA THR A 37 -3.497 14.168 8.936 1.00 0.00 H new ATOM 0 HB THR A 37 -5.421 12.850 8.737 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.024 12.823 10.198 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.034 10.866 10.159 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.510 11.536 9.528 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.983 11.838 11.217 1.00 0.00 H new ATOM 614 N PRO A 38 -5.760 15.743 8.733 1.00 0.00 N ATOM 615 CA PRO A 38 -6.707 16.858 8.718 1.00 0.00 C ATOM 616 C PRO A 38 -7.757 16.741 9.826 1.00 0.00 C ATOM 617 O PRO A 38 -8.266 17.750 10.318 1.00 0.00 O ATOM 618 CB PRO A 38 -7.381 16.744 7.352 1.00 0.00 C ATOM 619 CG PRO A 38 -6.430 15.962 6.514 1.00 0.00 C ATOM 620 CD PRO A 38 -5.737 15.018 7.452 1.00 0.00 C ATOM 0 HA PRO A 38 -6.206 17.811 8.885 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.345 16.241 7.429 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.569 17.728 6.922 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.957 15.418 5.730 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.713 16.618 6.020 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.258 14.063 7.520 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.718 14.804 7.128 1.00 0.00 H new ATOM 628 N GLU A 39 -8.066 15.509 10.228 1.00 0.00 N ATOM 629 CA GLU A 39 -9.142 15.282 11.184 1.00 0.00 C ATOM 630 C GLU A 39 -8.623 15.317 12.612 1.00 0.00 C ATOM 631 O GLU A 39 -9.322 15.757 13.523 1.00 0.00 O ATOM 632 CB GLU A 39 -9.828 13.940 10.933 1.00 0.00 C ATOM 633 CG GLU A 39 -10.158 13.680 9.478 1.00 0.00 C ATOM 634 CD GLU A 39 -9.192 12.704 8.850 1.00 0.00 C ATOM 635 OE1 GLU A 39 -8.001 13.046 8.718 1.00 0.00 O ATOM 636 OE2 GLU A 39 -9.619 11.585 8.502 1.00 0.00 O ATOM 0 H GLU A 39 -7.592 14.664 9.910 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.866 16.085 11.047 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.183 13.140 11.297 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.748 13.899 11.517 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.172 13.289 9.400 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.135 14.620 8.926 1.00 0.00 H new ATOM 643 N THR A 40 -7.397 14.853 12.808 1.00 0.00 N ATOM 644 CA THR A 40 -6.829 14.793 14.141 1.00 0.00 C ATOM 645 C THR A 40 -6.193 16.122 14.515 1.00 0.00 C ATOM 646 O THR A 40 -5.993 16.417 15.697 1.00 0.00 O ATOM 647 CB THR A 40 -5.802 13.650 14.264 1.00 0.00 C ATOM 648 OG1 THR A 40 -4.987 13.596 13.089 1.00 0.00 O ATOM 649 CG2 THR A 40 -6.502 12.313 14.464 1.00 0.00 C ATOM 0 H THR A 40 -6.783 14.516 12.066 1.00 0.00 H new ATOM 0 HA THR A 40 -7.642 14.589 14.837 1.00 0.00 H new ATOM 0 HB THR A 40 -5.174 13.847 15.133 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.531 13.306 12.327 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.757 11.521 14.548 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.099 12.348 15.375 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.151 12.111 13.612 1.00 0.00 H new ATOM 657 N ASN A 41 -5.901 16.937 13.505 1.00 0.00 N ATOM 658 CA ASN A 41 -5.338 18.259 13.732 1.00 0.00 C ATOM 659 C ASN A 41 -6.021 19.310 12.865 1.00 0.00 C ATOM 660 O ASN A 41 -5.389 19.945 12.027 1.00 0.00 O ATOM 661 CB ASN A 41 -3.835 18.254 13.461 1.00 0.00 C ATOM 662 CG ASN A 41 -3.074 17.476 14.500 1.00 0.00 C ATOM 663 OD1 ASN A 41 -2.914 16.264 14.403 1.00 0.00 O ATOM 664 ND2 ASN A 41 -2.587 18.176 15.498 1.00 0.00 N ATOM 0 H ASN A 41 -6.046 16.703 12.523 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.511 18.517 14.777 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.646 17.825 12.477 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.468 19.280 13.437 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.051 17.713 16.232 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.744 19.183 15.539 1.00 0.00 H new ATOM 671 N PRO A 42 -7.316 19.554 13.089 1.00 0.00 N ATOM 672 CA PRO A 42 -8.078 20.521 12.299 1.00 0.00 C ATOM 673 C PRO A 42 -7.759 21.961 12.698 1.00 0.00 C ATOM 674 O PRO A 42 -8.536 22.882 12.443 1.00 0.00 O ATOM 675 CB PRO A 42 -9.530 20.169 12.628 1.00 0.00 C ATOM 676 CG PRO A 42 -9.481 19.591 14.001 1.00 0.00 C ATOM 677 CD PRO A 42 -8.138 18.921 14.138 1.00 0.00 C ATOM 0 HA PRO A 42 -7.848 20.467 11.235 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.168 21.052 12.593 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.935 19.454 11.912 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -9.604 20.370 14.754 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.289 18.874 14.149 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.712 19.079 15.129 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -8.212 17.843 13.991 1.00 0.00 H new ATOM 685 N ARG A 43 -6.605 22.143 13.329 1.00 0.00 N ATOM 686 CA ARG A 43 -6.184 23.441 13.812 1.00 0.00 C ATOM 687 C ARG A 43 -4.946 23.942 13.075 1.00 0.00 C ATOM 688 O ARG A 43 -4.639 25.128 13.122 1.00 0.00 O ATOM 689 CB ARG A 43 -5.882 23.333 15.298 1.00 0.00 C ATOM 690 CG ARG A 43 -4.865 22.253 15.609 1.00 0.00 C ATOM 691 CD ARG A 43 -4.810 21.975 17.099 1.00 0.00 C ATOM 692 NE ARG A 43 -3.931 20.855 17.434 1.00 0.00 N ATOM 693 CZ ARG A 43 -2.874 20.947 18.243 1.00 0.00 C ATOM 694 NH1 ARG A 43 -2.555 22.111 18.796 1.00 0.00 N ATOM 695 NH2 ARG A 43 -2.150 19.869 18.516 1.00 0.00 N ATOM 0 H ARG A 43 -5.940 21.393 13.517 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.988 24.155 13.633 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.511 24.292 15.660 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.805 23.124 15.838 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.124 21.339 15.074 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.881 22.562 15.256 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.466 22.869 17.618 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.816 21.763 17.462 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.139 19.945 17.023 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.119 22.939 18.603 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.746 22.177 19.414 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.401 18.969 18.107 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.342 19.940 19.135 1.00 0.00 H new ATOM 709 N ALA A 44 -4.230 23.045 12.397 1.00 0.00 N ATOM 710 CA ALA A 44 -2.999 23.431 11.727 1.00 0.00 C ATOM 711 C ALA A 44 -3.193 23.445 10.228 1.00 0.00 C ATOM 712 O ALA A 44 -2.245 23.624 9.466 1.00 0.00 O ATOM 713 CB ALA A 44 -1.855 22.512 12.120 1.00 0.00 C ATOM 0 H ALA A 44 -4.480 22.061 12.300 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.739 24.440 12.046 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.946 22.822 11.605 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.698 22.566 13.197 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.099 21.487 11.840 1.00 0.00 H new ATOM 719 N GLY A 45 -4.438 23.238 9.825 1.00 0.00 N ATOM 720 CA GLY A 45 -4.818 23.379 8.430 1.00 0.00 C ATOM 721 C GLY A 45 -4.113 22.393 7.529 1.00 0.00 C ATOM 722 O GLY A 45 -3.598 22.758 6.476 1.00 0.00 O ATOM 0 H GLY A 45 -5.202 22.972 10.446 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.896 23.244 8.336 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.594 24.393 8.098 1.00 0.00 H new ATOM 726 N LEU A 46 -4.087 21.143 7.953 1.00 0.00 N ATOM 727 CA LEU A 46 -3.414 20.092 7.209 1.00 0.00 C ATOM 728 C LEU A 46 -4.218 19.709 5.973 1.00 0.00 C ATOM 729 O LEU A 46 -5.260 19.060 6.067 1.00 0.00 O ATOM 730 CB LEU A 46 -3.170 18.870 8.108 1.00 0.00 C ATOM 731 CG LEU A 46 -2.249 19.126 9.314 1.00 0.00 C ATOM 732 CD1 LEU A 46 -2.980 19.837 10.428 1.00 0.00 C ATOM 733 CD2 LEU A 46 -1.650 17.836 9.834 1.00 0.00 C ATOM 0 H LEU A 46 -4.528 20.828 8.817 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.446 20.468 6.877 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.131 18.509 8.474 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.739 18.072 7.503 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.442 19.769 8.965 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.299 20.001 11.263 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.349 20.797 10.066 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.820 19.227 10.759 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.005 18.052 10.686 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.449 17.163 10.146 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.064 17.363 9.046 1.00 0.00 H new ATOM 745 N GLU A 47 -3.743 20.156 4.822 1.00 0.00 N ATOM 746 CA GLU A 47 -4.380 19.882 3.559 1.00 0.00 C ATOM 747 C GLU A 47 -3.436 19.086 2.664 1.00 0.00 C ATOM 748 O GLU A 47 -2.239 19.373 2.611 1.00 0.00 O ATOM 749 CB GLU A 47 -4.780 21.207 2.909 1.00 0.00 C ATOM 750 CG GLU A 47 -3.763 22.320 3.132 1.00 0.00 C ATOM 751 CD GLU A 47 -4.245 23.674 2.655 1.00 0.00 C ATOM 752 OE1 GLU A 47 -4.099 23.972 1.449 1.00 0.00 O ATOM 753 OE2 GLU A 47 -4.755 24.458 3.483 1.00 0.00 O ATOM 0 H GLU A 47 -2.898 20.722 4.745 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.277 19.282 3.711 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.911 21.053 1.838 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.745 21.522 3.306 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.526 22.379 4.194 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.838 22.067 2.613 1.00 0.00 H new ATOM 760 N LYS A 48 -3.985 18.075 1.992 1.00 0.00 N ATOM 761 CA LYS A 48 -3.223 17.198 1.102 1.00 0.00 C ATOM 762 C LYS A 48 -1.910 16.730 1.724 1.00 0.00 C ATOM 763 O LYS A 48 -1.912 15.964 2.682 1.00 0.00 O ATOM 764 CB LYS A 48 -2.966 17.879 -0.242 1.00 0.00 C ATOM 765 CG LYS A 48 -4.151 17.805 -1.188 1.00 0.00 C ATOM 766 CD LYS A 48 -4.454 16.360 -1.542 1.00 0.00 C ATOM 767 CE LYS A 48 -5.706 16.231 -2.388 1.00 0.00 C ATOM 768 NZ LYS A 48 -5.980 14.813 -2.723 1.00 0.00 N ATOM 0 H LYS A 48 -4.976 17.840 2.049 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.834 16.310 0.938 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.713 18.925 -0.069 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.101 17.416 -0.717 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.024 18.264 -0.724 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.937 18.371 -2.094 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.608 15.934 -2.080 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.574 15.780 -0.627 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.556 16.652 -1.851 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.590 16.809 -3.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.842 14.753 -3.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.177 14.421 -3.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.113 14.269 -1.847 1.00 0.00 H new ATOM 782 N ASN A 49 -0.796 17.208 1.194 1.00 0.00 N ATOM 783 CA ASN A 49 0.503 16.803 1.684 1.00 0.00 C ATOM 784 C ASN A 49 1.405 18.012 1.831 1.00 0.00 C ATOM 785 O ASN A 49 2.624 17.888 1.931 1.00 0.00 O ATOM 786 CB ASN A 49 1.140 15.757 0.761 1.00 0.00 C ATOM 787 CG ASN A 49 1.481 16.267 -0.629 1.00 0.00 C ATOM 788 OD1 ASN A 49 0.772 17.098 -1.201 1.00 0.00 O ATOM 789 ND2 ASN A 49 2.580 15.770 -1.182 1.00 0.00 N ATOM 0 H ASN A 49 -0.769 17.877 0.424 1.00 0.00 H new ATOM 0 HA ASN A 49 0.373 16.343 2.664 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.050 15.383 1.230 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.459 14.911 0.667 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.865 16.074 -2.113 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.140 15.084 -0.676 1.00 0.00 H new ATOM 796 N TYR A 50 0.785 19.183 1.856 1.00 0.00 N ATOM 797 CA TYR A 50 1.520 20.431 2.025 1.00 0.00 C ATOM 798 C TYR A 50 2.039 20.499 3.447 1.00 0.00 C ATOM 799 O TYR A 50 1.285 20.273 4.387 1.00 0.00 O ATOM 800 CB TYR A 50 0.627 21.644 1.754 1.00 0.00 C ATOM 801 CG TYR A 50 -0.265 21.505 0.544 1.00 0.00 C ATOM 802 CD1 TYR A 50 0.255 21.401 -0.740 1.00 0.00 C ATOM 803 CD2 TYR A 50 -1.638 21.467 0.697 1.00 0.00 C ATOM 804 CE1 TYR A 50 -0.577 21.264 -1.836 1.00 0.00 C ATOM 805 CE2 TYR A 50 -2.477 21.330 -0.384 1.00 0.00 C ATOM 806 CZ TYR A 50 -1.946 21.227 -1.653 1.00 0.00 C ATOM 807 OH TYR A 50 -2.783 21.087 -2.736 1.00 0.00 O ATOM 0 H TYR A 50 -0.224 19.296 1.762 1.00 0.00 H new ATOM 0 HA TYR A 50 2.344 20.451 1.311 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.004 21.824 2.630 1.00 0.00 H new ATOM 0 HB3 TYR A 50 1.258 22.523 1.625 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.325 21.428 -0.884 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.061 21.547 1.687 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.159 21.186 -2.829 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.547 21.303 -0.240 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.714 21.078 -2.431 1.00 0.00 H new ATOM 817 N CYS A 51 3.316 20.814 3.597 1.00 0.00 N ATOM 818 CA CYS A 51 3.966 20.800 4.891 1.00 0.00 C ATOM 819 C CYS A 51 3.205 21.642 5.897 1.00 0.00 C ATOM 820 O CYS A 51 2.612 22.664 5.548 1.00 0.00 O ATOM 821 CB CYS A 51 5.391 21.312 4.748 1.00 0.00 C ATOM 822 SG CYS A 51 6.401 20.325 3.606 1.00 0.00 S ATOM 0 H CYS A 51 3.926 21.085 2.826 1.00 0.00 H new ATOM 0 HA CYS A 51 3.982 19.774 5.260 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.365 22.344 4.399 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.867 21.319 5.729 1.00 0.00 H new ATOM 827 N ARG A 52 3.216 21.204 7.138 1.00 0.00 N ATOM 828 CA ARG A 52 2.493 21.886 8.196 1.00 0.00 C ATOM 829 C ARG A 52 3.193 21.686 9.517 1.00 0.00 C ATOM 830 O ARG A 52 4.015 20.783 9.654 1.00 0.00 O ATOM 831 CB ARG A 52 1.047 21.381 8.300 1.00 0.00 C ATOM 832 CG ARG A 52 0.108 22.023 7.296 1.00 0.00 C ATOM 833 CD ARG A 52 0.339 23.522 7.251 1.00 0.00 C ATOM 834 NE ARG A 52 -0.681 24.226 6.493 1.00 0.00 N ATOM 835 CZ ARG A 52 -0.659 24.393 5.166 1.00 0.00 C ATOM 836 NH1 ARG A 52 0.354 23.926 4.439 1.00 0.00 N ATOM 837 NH2 ARG A 52 -1.650 25.037 4.571 1.00 0.00 N ATOM 0 H ARG A 52 3.721 20.372 7.443 1.00 0.00 H new ATOM 0 HA ARG A 52 2.470 22.948 7.951 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.037 20.301 8.156 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.675 21.572 9.307 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.270 21.592 6.308 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.927 21.815 7.569 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.363 23.912 8.269 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.316 23.722 6.810 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.468 24.620 7.008 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.124 23.435 4.893 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.360 24.059 3.428 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.425 25.403 5.124 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.639 25.167 3.559 1.00 0.00 H new ATOM 851 N ASN A 53 2.897 22.533 10.484 1.00 0.00 N ATOM 852 CA ASN A 53 3.431 22.323 11.818 1.00 0.00 C ATOM 853 C ASN A 53 2.304 22.217 12.842 1.00 0.00 C ATOM 854 O ASN A 53 2.009 23.179 13.547 1.00 0.00 O ATOM 855 CB ASN A 53 4.385 23.449 12.214 1.00 0.00 C ATOM 856 CG ASN A 53 5.401 22.991 13.234 1.00 0.00 C ATOM 857 OD1 ASN A 53 5.226 21.954 13.882 1.00 0.00 O ATOM 858 ND2 ASN A 53 6.450 23.773 13.413 1.00 0.00 N ATOM 0 H ASN A 53 2.303 23.356 10.377 1.00 0.00 H new ATOM 0 HA ASN A 53 3.987 21.386 11.805 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.901 23.817 11.327 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.813 24.284 12.620 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.155 23.529 14.109 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.555 24.621 12.856 1.00 0.00 H new ATOM 865 N PRO A 54 1.657 21.038 12.941 1.00 0.00 N ATOM 866 CA PRO A 54 0.582 20.807 13.906 1.00 0.00 C ATOM 867 C PRO A 54 1.069 20.891 15.345 1.00 0.00 C ATOM 868 O PRO A 54 0.300 21.196 16.255 1.00 0.00 O ATOM 869 CB PRO A 54 0.092 19.390 13.607 1.00 0.00 C ATOM 870 CG PRO A 54 0.653 19.037 12.277 1.00 0.00 C ATOM 871 CD PRO A 54 1.909 19.851 12.114 1.00 0.00 C ATOM 0 HA PRO A 54 -0.197 21.564 13.810 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.430 18.690 14.372 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.997 19.348 13.595 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.871 17.971 12.219 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.060 19.260 11.483 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.789 19.304 12.454 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.082 20.117 11.071 1.00 0.00 H new ATOM 879 N ASP A 55 2.350 20.623 15.541 1.00 0.00 N ATOM 880 CA ASP A 55 2.940 20.675 16.868 1.00 0.00 C ATOM 881 C ASP A 55 3.485 22.058 17.130 1.00 0.00 C ATOM 882 O ASP A 55 3.738 22.444 18.269 1.00 0.00 O ATOM 883 CB ASP A 55 4.075 19.664 17.009 1.00 0.00 C ATOM 884 CG ASP A 55 3.895 18.762 18.215 1.00 0.00 C ATOM 885 OD1 ASP A 55 4.325 19.150 19.325 1.00 0.00 O ATOM 886 OD2 ASP A 55 3.323 17.665 18.065 1.00 0.00 O ATOM 0 H ASP A 55 3.001 20.367 14.798 1.00 0.00 H new ATOM 0 HA ASP A 55 2.161 20.432 17.590 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.130 19.054 16.107 1.00 0.00 H new ATOM 0 HB3 ASP A 55 5.023 20.195 17.093 1.00 0.00 H new ATOM 891 N GLY A 56 3.649 22.797 16.041 1.00 0.00 N ATOM 892 CA GLY A 56 4.329 24.059 16.078 1.00 0.00 C ATOM 893 C GLY A 56 5.703 23.922 16.654 1.00 0.00 C ATOM 894 O GLY A 56 6.136 24.760 17.439 1.00 0.00 O ATOM 0 H GLY A 56 3.311 22.529 15.117 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.395 24.468 15.070 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.752 24.767 16.673 1.00 0.00 H new ATOM 898 N ASP A 57 6.371 22.839 16.267 1.00 0.00 N ATOM 899 CA ASP A 57 7.756 22.612 16.640 1.00 0.00 C ATOM 900 C ASP A 57 8.572 23.869 16.382 1.00 0.00 C ATOM 901 O ASP A 57 8.407 24.512 15.344 1.00 0.00 O ATOM 902 CB ASP A 57 8.352 21.465 15.825 1.00 0.00 C ATOM 903 CG ASP A 57 9.611 20.905 16.455 1.00 0.00 C ATOM 904 OD1 ASP A 57 10.678 21.530 16.309 1.00 0.00 O ATOM 905 OD2 ASP A 57 9.535 19.849 17.119 1.00 0.00 O ATOM 0 H ASP A 57 5.967 22.101 15.690 1.00 0.00 H new ATOM 0 HA ASP A 57 7.786 22.356 17.699 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.613 20.670 15.727 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.578 21.817 14.818 1.00 0.00 H new ATOM 910 N VAL A 58 9.460 24.200 17.306 1.00 0.00 N ATOM 911 CA VAL A 58 10.255 25.419 17.208 1.00 0.00 C ATOM 912 C VAL A 58 11.356 25.256 16.153 1.00 0.00 C ATOM 913 O VAL A 58 12.229 26.110 15.996 1.00 0.00 O ATOM 914 CB VAL A 58 10.881 25.783 18.576 1.00 0.00 C ATOM 915 CG1 VAL A 58 11.419 27.207 18.580 1.00 0.00 C ATOM 916 CG2 VAL A 58 9.863 25.595 19.690 1.00 0.00 C ATOM 0 H VAL A 58 9.651 23.640 18.137 1.00 0.00 H new ATOM 0 HA VAL A 58 9.592 26.230 16.906 1.00 0.00 H new ATOM 0 HB VAL A 58 11.721 25.111 18.749 1.00 0.00 H new ATOM 0 HG11 VAL A 58 11.851 27.430 19.555 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.185 27.309 17.812 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.606 27.904 18.376 1.00 0.00 H new ATOM 0 HG21 VAL A 58 10.318 25.855 20.646 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.003 26.240 19.510 1.00 0.00 H new ATOM 0 HG23 VAL A 58 9.538 24.555 19.714 1.00 0.00 H new ATOM 926 N GLY A 59 11.295 24.154 15.421 1.00 0.00 N ATOM 927 CA GLY A 59 12.250 23.896 14.380 1.00 0.00 C ATOM 928 C GLY A 59 11.661 24.189 13.025 1.00 0.00 C ATOM 929 O GLY A 59 12.391 24.319 12.038 1.00 0.00 O ATOM 0 H GLY A 59 10.588 23.428 15.537 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.138 24.509 14.535 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.570 22.855 14.424 1.00 0.00 H new ATOM 933 N GLY A 60 10.336 24.284 12.968 1.00 0.00 N ATOM 934 CA GLY A 60 9.693 24.624 11.724 1.00 0.00 C ATOM 935 C GLY A 60 8.729 23.552 11.286 1.00 0.00 C ATOM 936 O GLY A 60 8.584 22.533 11.967 1.00 0.00 O ATOM 0 H GLY A 60 9.706 24.132 13.756 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.161 25.569 11.835 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.448 24.772 10.952 1.00 0.00 H new ATOM 940 N PRO A 61 8.059 23.745 10.148 1.00 0.00 N ATOM 941 CA PRO A 61 7.059 22.813 9.667 1.00 0.00 C ATOM 942 C PRO A 61 7.677 21.523 9.172 1.00 0.00 C ATOM 943 O PRO A 61 8.864 21.451 8.842 1.00 0.00 O ATOM 944 CB PRO A 61 6.386 23.556 8.523 1.00 0.00 C ATOM 945 CG PRO A 61 7.421 24.494 8.037 1.00 0.00 C ATOM 946 CD PRO A 61 8.241 24.876 9.235 1.00 0.00 C ATOM 0 HA PRO A 61 6.367 22.518 10.456 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.069 22.872 7.736 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.496 24.086 8.862 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.043 24.025 7.274 1.00 0.00 H new ATOM 0 HG3 PRO A 61 6.966 25.373 7.581 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.290 25.017 8.975 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.894 25.809 9.678 1.00 0.00 H new ATOM 954 N TRP A 62 6.848 20.519 9.094 1.00 0.00 N ATOM 955 CA TRP A 62 7.286 19.181 8.815 1.00 0.00 C ATOM 956 C TRP A 62 6.176 18.452 8.102 1.00 0.00 C ATOM 957 O TRP A 62 5.188 19.063 7.685 1.00 0.00 O ATOM 958 CB TRP A 62 7.634 18.467 10.124 1.00 0.00 C ATOM 959 CG TRP A 62 6.507 18.504 11.106 1.00 0.00 C ATOM 960 CD1 TRP A 62 6.117 19.570 11.851 1.00 0.00 C ATOM 961 CD2 TRP A 62 5.620 17.440 11.439 1.00 0.00 C ATOM 962 NE1 TRP A 62 5.030 19.237 12.618 1.00 0.00 N ATOM 963 CE2 TRP A 62 4.716 17.934 12.391 1.00 0.00 C ATOM 964 CE3 TRP A 62 5.504 16.122 11.025 1.00 0.00 C ATOM 965 CZ2 TRP A 62 3.706 17.159 12.935 1.00 0.00 C ATOM 966 CZ3 TRP A 62 4.500 15.348 11.566 1.00 0.00 C ATOM 967 CH2 TRP A 62 3.614 15.868 12.512 1.00 0.00 C ATOM 0 H TRP A 62 5.840 20.608 9.224 1.00 0.00 H new ATOM 0 HA TRP A 62 8.176 19.200 8.185 1.00 0.00 H new ATOM 0 HB2 TRP A 62 7.895 17.430 9.912 1.00 0.00 H new ATOM 0 HB3 TRP A 62 8.514 18.933 10.567 1.00 0.00 H new ATOM 0 HD1 TRP A 62 6.593 20.539 11.841 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.538 19.864 13.254 1.00 0.00 H new ATOM 0 HE3 TRP A 62 6.185 15.711 10.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.019 17.562 13.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.397 14.320 11.252 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.840 15.233 12.916 1.00 0.00 H new ATOM 978 N CYS A 63 6.349 17.164 7.956 1.00 0.00 N ATOM 979 CA CYS A 63 5.364 16.327 7.319 1.00 0.00 C ATOM 980 C CYS A 63 5.713 14.864 7.531 1.00 0.00 C ATOM 981 O CYS A 63 6.687 14.537 8.210 1.00 0.00 O ATOM 982 CB CYS A 63 5.287 16.663 5.832 1.00 0.00 C ATOM 983 SG CYS A 63 6.827 16.361 4.911 1.00 0.00 S ATOM 0 H CYS A 63 7.179 16.664 8.276 1.00 0.00 H new ATOM 0 HA CYS A 63 4.386 16.511 7.764 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.487 16.076 5.381 1.00 0.00 H new ATOM 0 HB3 CYS A 63 5.013 17.712 5.723 1.00 0.00 H new ATOM 988 N TYR A 64 4.909 13.990 6.967 1.00 0.00 N ATOM 989 CA TYR A 64 5.237 12.582 6.914 1.00 0.00 C ATOM 990 C TYR A 64 5.734 12.306 5.521 1.00 0.00 C ATOM 991 O TYR A 64 5.291 12.961 4.593 1.00 0.00 O ATOM 992 CB TYR A 64 4.027 11.725 7.279 1.00 0.00 C ATOM 993 CG TYR A 64 3.758 11.721 8.767 1.00 0.00 C ATOM 994 CD1 TYR A 64 4.472 10.880 9.607 1.00 0.00 C ATOM 995 CD2 TYR A 64 2.808 12.560 9.335 1.00 0.00 C ATOM 996 CE1 TYR A 64 4.251 10.870 10.967 1.00 0.00 C ATOM 997 CE2 TYR A 64 2.579 12.555 10.699 1.00 0.00 C ATOM 998 CZ TYR A 64 3.304 11.708 11.509 1.00 0.00 C ATOM 999 OH TYR A 64 3.089 11.702 12.866 1.00 0.00 O ATOM 0 H TYR A 64 4.017 14.232 6.536 1.00 0.00 H new ATOM 0 HA TYR A 64 6.008 12.326 7.641 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.148 12.098 6.754 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.192 10.703 6.939 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.216 10.220 9.187 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.240 13.226 8.702 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.818 10.208 11.604 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.836 13.211 11.127 1.00 0.00 H new ATOM 0 HH TYR A 64 3.419 12.540 13.253 1.00 0.00 H new ATOM 1009 N THR A 65 6.659 11.387 5.353 1.00 0.00 N ATOM 1010 CA THR A 65 7.301 11.257 4.063 1.00 0.00 C ATOM 1011 C THR A 65 6.774 10.037 3.342 1.00 0.00 C ATOM 1012 O THR A 65 6.405 9.051 3.975 1.00 0.00 O ATOM 1013 CB THR A 65 8.840 11.161 4.191 1.00 0.00 C ATOM 1014 OG1 THR A 65 9.260 9.789 4.276 1.00 0.00 O ATOM 1015 CG2 THR A 65 9.330 11.921 5.413 1.00 0.00 C ATOM 0 H THR A 65 6.977 10.735 6.070 1.00 0.00 H new ATOM 0 HA THR A 65 7.068 12.154 3.490 1.00 0.00 H new ATOM 0 HB THR A 65 9.275 11.610 3.298 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.163 9.474 5.199 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.415 11.839 5.482 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.050 12.971 5.325 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.877 11.499 6.310 1.00 0.00 H new ATOM 1023 N THR A 66 6.705 10.115 2.024 1.00 0.00 N ATOM 1024 CA THR A 66 6.372 8.954 1.221 1.00 0.00 C ATOM 1025 C THR A 66 7.601 8.055 1.026 1.00 0.00 C ATOM 1026 O THR A 66 7.597 7.143 0.199 1.00 0.00 O ATOM 1027 CB THR A 66 5.813 9.379 -0.151 1.00 0.00 C ATOM 1028 OG1 THR A 66 6.732 10.264 -0.806 1.00 0.00 O ATOM 1029 CG2 THR A 66 4.470 10.074 0.001 1.00 0.00 C ATOM 0 H THR A 66 6.875 10.967 1.490 1.00 0.00 H new ATOM 0 HA THR A 66 5.606 8.391 1.753 1.00 0.00 H new ATOM 0 HB THR A 66 5.678 8.480 -0.752 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.450 10.400 -1.734 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.097 10.364 -0.981 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.760 9.395 0.473 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.588 10.963 0.621 1.00 0.00 H new ATOM 1037 N ASN A 67 8.636 8.308 1.825 1.00 0.00 N ATOM 1038 CA ASN A 67 9.912 7.608 1.719 1.00 0.00 C ATOM 1039 C ASN A 67 9.944 6.415 2.666 1.00 0.00 C ATOM 1040 O ASN A 67 9.770 6.574 3.872 1.00 0.00 O ATOM 1041 CB ASN A 67 11.035 8.581 2.085 1.00 0.00 C ATOM 1042 CG ASN A 67 12.429 8.070 1.812 1.00 0.00 C ATOM 1043 OD1 ASN A 67 12.676 6.869 1.732 1.00 0.00 O ATOM 1044 ND2 ASN A 67 13.363 8.999 1.707 1.00 0.00 N ATOM 0 H ASN A 67 8.612 9.008 2.567 1.00 0.00 H new ATOM 0 HA ASN A 67 10.043 7.245 0.700 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.888 9.508 1.531 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.954 8.826 3.144 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.335 8.730 1.553 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.112 9.985 1.780 1.00 0.00 H new ATOM 1051 N PRO A 68 10.184 5.202 2.145 1.00 0.00 N ATOM 1052 CA PRO A 68 10.235 3.983 2.965 1.00 0.00 C ATOM 1053 C PRO A 68 11.414 3.958 3.936 1.00 0.00 C ATOM 1054 O PRO A 68 11.630 2.975 4.648 1.00 0.00 O ATOM 1055 CB PRO A 68 10.361 2.860 1.936 1.00 0.00 C ATOM 1056 CG PRO A 68 10.935 3.509 0.723 1.00 0.00 C ATOM 1057 CD PRO A 68 10.406 4.916 0.717 1.00 0.00 C ATOM 0 HA PRO A 68 9.356 3.899 3.604 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.008 2.062 2.300 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.391 2.411 1.722 1.00 0.00 H new ATOM 0 HG2 PRO A 68 12.025 3.502 0.755 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.639 2.977 -0.181 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.119 5.612 0.274 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.483 4.996 0.143 1.00 0.00 H new ATOM 1065 N ARG A 69 12.178 5.035 3.951 1.00 0.00 N ATOM 1066 CA ARG A 69 13.276 5.190 4.885 1.00 0.00 C ATOM 1067 C ARG A 69 12.796 5.728 6.224 1.00 0.00 C ATOM 1068 O ARG A 69 13.176 5.223 7.277 1.00 0.00 O ATOM 1069 CB ARG A 69 14.294 6.148 4.295 1.00 0.00 C ATOM 1070 CG ARG A 69 15.123 5.537 3.186 1.00 0.00 C ATOM 1071 CD ARG A 69 16.101 4.518 3.738 1.00 0.00 C ATOM 1072 NE ARG A 69 16.977 5.113 4.747 1.00 0.00 N ATOM 1073 CZ ARG A 69 17.705 4.411 5.609 1.00 0.00 C ATOM 1074 NH1 ARG A 69 17.617 3.087 5.627 1.00 0.00 N ATOM 1075 NH2 ARG A 69 18.499 5.035 6.473 1.00 0.00 N ATOM 0 H ARG A 69 12.055 5.825 3.317 1.00 0.00 H new ATOM 0 HA ARG A 69 13.724 4.211 5.055 1.00 0.00 H new ATOM 0 HB2 ARG A 69 13.775 7.025 3.909 1.00 0.00 H new ATOM 0 HB3 ARG A 69 14.958 6.493 5.087 1.00 0.00 H new ATOM 0 HG2 ARG A 69 14.467 5.060 2.458 1.00 0.00 H new ATOM 0 HG3 ARG A 69 15.667 6.321 2.660 1.00 0.00 H new ATOM 0 HD2 ARG A 69 15.552 3.684 4.176 1.00 0.00 H new ATOM 0 HD3 ARG A 69 16.703 4.111 2.925 1.00 0.00 H new ATOM 0 HE ARG A 69 17.033 6.131 4.792 1.00 0.00 H new ATOM 0 HH11 ARG A 69 16.991 2.609 4.979 1.00 0.00 H new ATOM 0 HH12 ARG A 69 18.176 2.548 6.288 1.00 0.00 H new ATOM 0 HH21 ARG A 69 18.550 6.054 6.475 1.00 0.00 H new ATOM 0 HH22 ARG A 69 19.057 4.495 7.134 1.00 0.00 H new ATOM 1089 N LYS A 70 11.966 6.759 6.178 1.00 0.00 N ATOM 1090 CA LYS A 70 11.539 7.436 7.390 1.00 0.00 C ATOM 1091 C LYS A 70 10.040 7.695 7.376 1.00 0.00 C ATOM 1092 O LYS A 70 9.415 7.805 6.320 1.00 0.00 O ATOM 1093 CB LYS A 70 12.291 8.758 7.532 1.00 0.00 C ATOM 1094 CG LYS A 70 11.937 9.759 6.449 1.00 0.00 C ATOM 1095 CD LYS A 70 13.175 10.347 5.815 1.00 0.00 C ATOM 1096 CE LYS A 70 13.931 11.250 6.778 1.00 0.00 C ATOM 1097 NZ LYS A 70 15.164 11.808 6.165 1.00 0.00 N ATOM 0 H LYS A 70 11.577 7.143 5.317 1.00 0.00 H new ATOM 0 HA LYS A 70 11.764 6.791 8.240 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.070 9.192 8.507 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.363 8.565 7.504 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.332 9.271 5.685 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.330 10.558 6.875 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.830 9.542 5.482 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.894 10.916 4.929 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.282 12.066 7.095 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.194 10.686 7.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.996 11.468 6.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.229 11.501 5.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.132 12.847 6.204 1.00 0.00 H new ATOM 1111 N LEU A 71 9.486 7.811 8.567 1.00 0.00 N ATOM 1112 CA LEU A 71 8.057 8.034 8.746 1.00 0.00 C ATOM 1113 C LEU A 71 7.748 9.509 8.615 1.00 0.00 C ATOM 1114 O LEU A 71 6.755 9.895 8.002 1.00 0.00 O ATOM 1115 CB LEU A 71 7.612 7.520 10.123 1.00 0.00 C ATOM 1116 CG LEU A 71 6.138 7.739 10.474 1.00 0.00 C ATOM 1117 CD1 LEU A 71 5.246 6.849 9.628 1.00 0.00 C ATOM 1118 CD2 LEU A 71 5.903 7.479 11.954 1.00 0.00 C ATOM 0 H LEU A 71 10.010 7.754 9.440 1.00 0.00 H new ATOM 0 HA LEU A 71 7.512 7.488 7.976 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.823 6.452 10.176 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.223 8.004 10.885 1.00 0.00 H new ATOM 0 HG LEU A 71 5.884 8.777 10.259 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.203 7.021 9.894 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.395 7.082 8.574 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.499 5.804 9.808 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.851 7.639 12.189 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.176 6.450 12.191 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.514 8.161 12.545 1.00 0.00 H new ATOM 1130 N TYR A 72 8.638 10.329 9.140 1.00 0.00 N ATOM 1131 CA TYR A 72 8.430 11.760 9.166 1.00 0.00 C ATOM 1132 C TYR A 72 9.747 12.475 8.920 1.00 0.00 C ATOM 1133 O TYR A 72 10.825 11.890 9.064 1.00 0.00 O ATOM 1134 CB TYR A 72 7.864 12.196 10.528 1.00 0.00 C ATOM 1135 CG TYR A 72 8.918 12.287 11.613 1.00 0.00 C ATOM 1136 CD1 TYR A 72 9.356 11.154 12.287 1.00 0.00 C ATOM 1137 CD2 TYR A 72 9.495 13.510 11.940 1.00 0.00 C ATOM 1138 CE1 TYR A 72 10.340 11.237 13.254 1.00 0.00 C ATOM 1139 CE2 TYR A 72 10.473 13.599 12.908 1.00 0.00 C ATOM 1140 CZ TYR A 72 10.895 12.461 13.560 1.00 0.00 C ATOM 1141 OH TYR A 72 11.881 12.543 14.516 1.00 0.00 O ATOM 0 H TYR A 72 9.518 10.024 9.557 1.00 0.00 H new ATOM 0 HA TYR A 72 7.717 12.021 8.384 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.380 13.167 10.419 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.094 11.489 10.837 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.921 10.194 12.052 1.00 0.00 H new ATOM 0 HD2 TYR A 72 9.172 14.404 11.427 1.00 0.00 H new ATOM 0 HE1 TYR A 72 10.672 10.347 13.767 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.907 14.557 13.154 1.00 0.00 H new ATOM 0 HH TYR A 72 12.167 13.475 14.612 1.00 0.00 H new ATOM 1151 N ASP A 73 9.644 13.731 8.550 1.00 0.00 N ATOM 1152 CA ASP A 73 10.802 14.584 8.348 1.00 0.00 C ATOM 1153 C ASP A 73 10.333 16.023 8.291 1.00 0.00 C ATOM 1154 O ASP A 73 9.142 16.280 8.175 1.00 0.00 O ATOM 1155 CB ASP A 73 11.540 14.201 7.061 1.00 0.00 C ATOM 1156 CG ASP A 73 12.887 14.884 6.918 1.00 0.00 C ATOM 1157 OD1 ASP A 73 13.521 15.169 7.957 1.00 0.00 O ATOM 1158 OD2 ASP A 73 13.331 15.099 5.773 1.00 0.00 O ATOM 0 H ASP A 73 8.752 14.196 8.379 1.00 0.00 H new ATOM 0 HA ASP A 73 11.502 14.458 9.174 1.00 0.00 H new ATOM 0 HB2 ASP A 73 11.684 13.121 7.040 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.918 14.456 6.203 1.00 0.00 H new ATOM 1163 N TYR A 74 11.256 16.953 8.386 1.00 0.00 N ATOM 1164 CA TYR A 74 10.909 18.367 8.391 1.00 0.00 C ATOM 1165 C TYR A 74 11.003 18.927 6.994 1.00 0.00 C ATOM 1166 O TYR A 74 11.674 18.357 6.149 1.00 0.00 O ATOM 1167 CB TYR A 74 11.826 19.147 9.330 1.00 0.00 C ATOM 1168 CG TYR A 74 11.524 18.888 10.791 1.00 0.00 C ATOM 1169 CD1 TYR A 74 11.862 17.675 11.378 1.00 0.00 C ATOM 1170 CD2 TYR A 74 10.878 19.841 11.581 1.00 0.00 C ATOM 1171 CE1 TYR A 74 11.565 17.413 12.699 1.00 0.00 C ATOM 1172 CE2 TYR A 74 10.586 19.584 12.907 1.00 0.00 C ATOM 1173 CZ TYR A 74 10.929 18.369 13.459 1.00 0.00 C ATOM 1174 OH TYR A 74 10.625 18.103 14.773 1.00 0.00 O ATOM 0 H TYR A 74 12.255 16.762 8.461 1.00 0.00 H new ATOM 0 HA TYR A 74 9.884 18.468 8.749 1.00 0.00 H new ATOM 0 HB2 TYR A 74 12.862 18.879 9.124 1.00 0.00 H new ATOM 0 HB3 TYR A 74 11.726 20.213 9.126 1.00 0.00 H new ATOM 0 HD1 TYR A 74 12.367 16.923 10.789 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.603 20.792 11.150 1.00 0.00 H new ATOM 0 HE1 TYR A 74 11.830 16.462 13.136 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.091 20.332 13.508 1.00 0.00 H new ATOM 0 HH TYR A 74 11.286 17.481 15.142 1.00 0.00 H new ATOM 1184 N CYS A 75 10.326 20.033 6.753 1.00 0.00 N ATOM 1185 CA CYS A 75 10.354 20.664 5.450 1.00 0.00 C ATOM 1186 C CYS A 75 11.210 21.910 5.499 1.00 0.00 C ATOM 1187 O CYS A 75 11.584 22.374 6.575 1.00 0.00 O ATOM 1188 CB CYS A 75 8.945 21.020 5.000 1.00 0.00 C ATOM 1189 SG CYS A 75 7.853 19.591 4.805 1.00 0.00 S ATOM 0 H CYS A 75 9.749 20.513 7.444 1.00 0.00 H new ATOM 0 HA CYS A 75 10.782 19.963 4.733 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.505 21.705 5.725 1.00 0.00 H new ATOM 0 HB3 CYS A 75 9.001 21.554 4.051 1.00 0.00 H new ATOM 1194 N ASP A 76 11.500 22.459 4.339 1.00 0.00 N ATOM 1195 CA ASP A 76 12.355 23.627 4.260 1.00 0.00 C ATOM 1196 C ASP A 76 11.631 24.758 3.548 1.00 0.00 C ATOM 1197 O ASP A 76 11.969 25.128 2.423 1.00 0.00 O ATOM 1198 CB ASP A 76 13.670 23.288 3.554 1.00 0.00 C ATOM 1199 CG ASP A 76 14.695 24.402 3.669 1.00 0.00 C ATOM 1200 OD1 ASP A 76 14.858 24.958 4.780 1.00 0.00 O ATOM 1201 OD2 ASP A 76 15.356 24.717 2.657 1.00 0.00 O ATOM 0 H ASP A 76 11.159 22.118 3.440 1.00 0.00 H new ATOM 0 HA ASP A 76 12.594 23.954 5.272 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.082 22.374 3.980 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.472 23.088 2.501 1.00 0.00 H new ATOM 1206 N VAL A 77 10.600 25.275 4.197 1.00 0.00 N ATOM 1207 CA VAL A 77 9.867 26.412 3.672 1.00 0.00 C ATOM 1208 C VAL A 77 10.324 27.700 4.350 1.00 0.00 C ATOM 1209 O VAL A 77 10.417 27.776 5.574 1.00 0.00 O ATOM 1210 CB VAL A 77 8.341 26.225 3.823 1.00 0.00 C ATOM 1211 CG1 VAL A 77 7.972 25.775 5.215 1.00 0.00 C ATOM 1212 CG2 VAL A 77 7.598 27.494 3.467 1.00 0.00 C ATOM 0 H VAL A 77 10.253 24.924 5.089 1.00 0.00 H new ATOM 0 HA VAL A 77 10.083 26.483 2.606 1.00 0.00 H new ATOM 0 HB VAL A 77 8.043 25.442 3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.891 25.654 5.284 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.458 24.824 5.431 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.300 26.522 5.938 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.526 27.333 3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.917 28.300 4.128 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.815 27.765 2.434 1.00 0.00 H new ATOM 1222 N PRO A 78 10.631 28.713 3.534 1.00 0.00 N ATOM 1223 CA PRO A 78 11.149 30.010 3.991 1.00 0.00 C ATOM 1224 C PRO A 78 10.219 30.731 4.941 1.00 0.00 C ATOM 1225 O PRO A 78 9.014 30.468 4.996 1.00 0.00 O ATOM 1226 CB PRO A 78 11.292 30.817 2.690 1.00 0.00 C ATOM 1227 CG PRO A 78 10.430 30.109 1.698 1.00 0.00 C ATOM 1228 CD PRO A 78 10.503 28.665 2.074 1.00 0.00 C ATOM 0 HA PRO A 78 12.075 29.884 4.551 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.969 31.849 2.828 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.330 30.850 2.358 1.00 0.00 H new ATOM 0 HG2 PRO A 78 9.404 30.474 1.737 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.787 30.269 0.681 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.611 28.121 1.764 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.355 28.169 1.610 1.00 0.00 H new ATOM 1236 N GLN A 79 10.803 31.645 5.690 1.00 0.00 N ATOM 1237 CA GLN A 79 10.073 32.417 6.658 1.00 0.00 C ATOM 1238 C GLN A 79 9.246 33.501 5.971 1.00 0.00 C ATOM 1239 O GLN A 79 9.782 34.444 5.392 1.00 0.00 O ATOM 1240 CB GLN A 79 11.035 33.020 7.681 1.00 0.00 C ATOM 1241 CG GLN A 79 10.330 33.828 8.737 1.00 0.00 C ATOM 1242 CD GLN A 79 9.321 32.997 9.488 1.00 0.00 C ATOM 1243 OE1 GLN A 79 8.269 33.502 9.843 1.00 0.00 O ATOM 1244 NE2 GLN A 79 9.637 31.718 9.716 1.00 0.00 N ATOM 0 H GLN A 79 11.797 31.868 5.640 1.00 0.00 H new ATOM 0 HA GLN A 79 9.382 31.759 7.185 1.00 0.00 H new ATOM 0 HB2 GLN A 79 11.599 32.219 8.159 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.756 33.654 7.165 1.00 0.00 H new ATOM 0 HG2 GLN A 79 11.062 34.232 9.436 1.00 0.00 H new ATOM 0 HG3 GLN A 79 9.829 34.678 8.273 1.00 0.00 H new ATOM 0 HE21 GLN A 79 10.532 31.349 9.396 1.00 0.00 H new ATOM 0 HE22 GLN A 79 8.983 31.111 10.210 1.00 0.00 H new ATOM 1253 N CYS A 80 7.940 33.335 6.036 1.00 0.00 N ATOM 1254 CA CYS A 80 6.997 34.270 5.456 1.00 0.00 C ATOM 1255 C CYS A 80 6.904 35.509 6.331 1.00 0.00 C ATOM 1256 O CYS A 80 6.818 36.632 5.839 1.00 0.00 O ATOM 1257 CB CYS A 80 5.623 33.613 5.353 1.00 0.00 C ATOM 1258 SG CYS A 80 4.737 33.914 3.791 1.00 0.00 S ATOM 0 H CYS A 80 7.499 32.539 6.498 1.00 0.00 H new ATOM 0 HA CYS A 80 7.337 34.555 4.461 1.00 0.00 H new ATOM 0 HB2 CYS A 80 5.741 32.537 5.484 1.00 0.00 H new ATOM 0 HB3 CYS A 80 5.005 33.968 6.177 1.00 0.00 H new ATOM 1263 N ALA A 81 6.926 35.287 7.642 1.00 0.00 N ATOM 1264 CA ALA A 81 6.871 36.385 8.605 1.00 0.00 C ATOM 1265 C ALA A 81 8.265 36.942 8.884 1.00 0.00 C ATOM 1266 O ALA A 81 8.632 37.191 10.035 1.00 0.00 O ATOM 1267 CB ALA A 81 6.212 35.933 9.900 1.00 0.00 C ATOM 0 H ALA A 81 6.981 34.359 8.062 1.00 0.00 H new ATOM 0 HA ALA A 81 6.268 37.181 8.168 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.181 36.766 10.603 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.196 35.595 9.693 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.785 35.114 10.333 1.00 0.00 H new ATOM 1273 N ALA A 82 9.038 37.137 7.829 1.00 0.00 N ATOM 1274 CA ALA A 82 10.388 37.652 7.955 1.00 0.00 C ATOM 1275 C ALA A 82 10.437 39.107 7.521 1.00 0.00 C ATOM 1276 O ALA A 82 10.419 39.358 6.298 1.00 0.00 O ATOM 1277 CB ALA A 82 11.355 36.814 7.134 1.00 0.00 C ATOM 1278 OXT ALA A 82 10.473 39.991 8.400 1.00 0.00 O ATOM 0 H ALA A 82 8.750 36.944 6.870 1.00 0.00 H new ATOM 0 HA ALA A 82 10.689 37.593 9.001 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.363 37.214 7.240 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.335 35.783 7.488 1.00 0.00 H new ATOM 0 HB3 ALA A 82 11.061 36.843 6.085 1.00 0.00 H new TER 1284 ALA A 82