USER MOD reduce.3.24.130724 H: found=0, std=0, add=286, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 284 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 25 THR OG1 : rot 141:sc= -2.34 USER MOD Set 1.2: A 31 THR OG1 : rot 180:sc= 0.0047 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -101:sc= 0.0611 USER MOD Single : A 9 ASN : amide:sc= 0.024 K(o=0.024,f=-3.1!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 140:sc=-0.00776 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 154:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc= -0.142 F(o=-0.8!,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 33.314 31.734 32.431 1.00 0.00 N ATOM 2 CA LEU A 1 33.845 31.597 31.052 1.00 0.00 C ATOM 3 C LEU A 1 32.910 30.701 30.225 1.00 0.00 C ATOM 4 O LEU A 1 31.797 31.136 29.967 1.00 0.00 O ATOM 5 CB LEU A 1 35.353 31.235 31.050 1.00 0.00 C ATOM 6 CG LEU A 1 36.198 31.717 29.867 1.00 0.00 C ATOM 7 CD1 LEU A 1 35.792 31.072 28.558 1.00 0.00 C ATOM 8 CD2 LEU A 1 36.151 33.234 29.801 1.00 0.00 C ATOM 0 H1 LEU A 1 33.948 32.341 32.989 1.00 0.00 H new ATOM 0 H2 LEU A 1 32.367 32.162 32.397 1.00 0.00 H new ATOM 0 H3 LEU A 1 33.254 30.795 32.875 1.00 0.00 H new ATOM 0 HA LEU A 1 33.837 32.557 30.536 1.00 0.00 H new ATOM 0 HB2 LEU A 1 35.795 31.634 31.963 1.00 0.00 H new ATOM 0 HB3 LEU A 1 35.438 30.150 31.103 1.00 0.00 H new ATOM 0 HG LEU A 1 37.229 31.404 30.031 1.00 0.00 H new ATOM 0 HD11 LEU A 1 36.424 31.450 27.755 1.00 0.00 H new ATOM 0 HD12 LEU A 1 35.909 29.991 28.633 1.00 0.00 H new ATOM 0 HD13 LEU A 1 34.750 31.310 28.343 1.00 0.00 H new ATOM 0 HD21 LEU A 1 36.752 33.580 28.960 1.00 0.00 H new ATOM 0 HD22 LEU A 1 35.119 33.561 29.669 1.00 0.00 H new ATOM 0 HD23 LEU A 1 36.548 33.651 30.726 1.00 0.00 H new ATOM 20 N CYS A 2 33.283 29.472 29.841 1.00 0.00 N ATOM 21 CA CYS A 2 32.455 28.562 29.027 1.00 0.00 C ATOM 22 C CYS A 2 31.207 28.040 29.780 1.00 0.00 C ATOM 23 O CYS A 2 31.240 26.952 30.346 1.00 0.00 O ATOM 24 CB CYS A 2 33.323 27.398 28.514 1.00 0.00 C ATOM 25 SG CYS A 2 34.637 27.854 27.353 1.00 0.00 S ATOM 0 H CYS A 2 34.187 29.072 30.091 1.00 0.00 H new ATOM 0 HA CYS A 2 32.072 29.133 28.181 1.00 0.00 H new ATOM 0 HB2 CYS A 2 33.777 26.901 29.372 1.00 0.00 H new ATOM 0 HB3 CYS A 2 32.673 26.669 28.031 1.00 0.00 H new ATOM 30 N ASN A 3 30.116 28.816 29.777 1.00 0.00 N ATOM 31 CA ASN A 3 28.822 28.489 30.404 1.00 0.00 C ATOM 32 C ASN A 3 27.606 28.658 29.452 1.00 0.00 C ATOM 33 O ASN A 3 26.465 28.520 29.889 1.00 0.00 O ATOM 34 CB ASN A 3 28.644 29.363 31.668 1.00 0.00 C ATOM 35 CG ASN A 3 29.628 29.085 32.795 1.00 0.00 C ATOM 36 OD1 ASN A 3 30.050 27.969 33.051 1.00 0.00 O ATOM 37 ND2 ASN A 3 30.002 30.087 33.554 1.00 0.00 N ATOM 0 H ASN A 3 30.107 29.728 29.319 1.00 0.00 H new ATOM 0 HA ASN A 3 28.846 27.431 30.665 1.00 0.00 H new ATOM 0 HB2 ASN A 3 28.733 30.411 31.381 1.00 0.00 H new ATOM 0 HB3 ASN A 3 27.632 29.221 32.048 1.00 0.00 H new ATOM 0 HD21 ASN A 3 30.633 29.924 34.339 1.00 0.00 H new ATOM 0 HD22 ASN A 3 29.662 31.029 33.359 1.00 0.00 H new ATOM 44 N GLU A 4 27.822 28.968 28.169 1.00 0.00 N ATOM 45 CA GLU A 4 26.771 29.273 27.178 1.00 0.00 C ATOM 46 C GLU A 4 26.529 28.149 26.139 1.00 0.00 C ATOM 47 O GLU A 4 27.331 27.208 26.044 1.00 0.00 O ATOM 48 CB GLU A 4 27.147 30.591 26.471 1.00 0.00 C ATOM 49 CG GLU A 4 26.922 31.872 27.286 1.00 0.00 C ATOM 50 CD GLU A 4 25.541 32.106 27.929 1.00 0.00 C ATOM 51 OE1 GLU A 4 24.546 31.437 27.587 1.00 0.00 O ATOM 52 OE2 GLU A 4 25.461 33.032 28.771 1.00 0.00 O ATOM 0 H GLU A 4 28.761 29.016 27.774 1.00 0.00 H new ATOM 0 HA GLU A 4 25.828 29.364 27.718 1.00 0.00 H new ATOM 0 HB2 GLU A 4 28.198 30.543 26.188 1.00 0.00 H new ATOM 0 HB3 GLU A 4 26.571 30.664 25.548 1.00 0.00 H new ATOM 0 HG2 GLU A 4 27.665 31.892 28.083 1.00 0.00 H new ATOM 0 HG3 GLU A 4 27.131 32.720 26.634 1.00 0.00 H new ATOM 59 N PRO A 5 25.418 28.221 25.370 1.00 0.00 N ATOM 60 CA PRO A 5 25.020 27.174 24.429 1.00 0.00 C ATOM 61 C PRO A 5 25.707 27.239 23.050 1.00 0.00 C ATOM 62 O PRO A 5 26.205 28.282 22.617 1.00 0.00 O ATOM 63 CB PRO A 5 23.502 27.334 24.286 1.00 0.00 C ATOM 64 CG PRO A 5 23.304 28.839 24.438 1.00 0.00 C ATOM 65 CD PRO A 5 24.336 29.197 25.503 1.00 0.00 C ATOM 0 HA PRO A 5 25.327 26.203 24.817 1.00 0.00 H new ATOM 0 HB2 PRO A 5 23.147 26.975 23.320 1.00 0.00 H new ATOM 0 HB3 PRO A 5 22.963 26.776 25.051 1.00 0.00 H new ATOM 0 HG2 PRO A 5 23.484 29.369 23.503 1.00 0.00 H new ATOM 0 HG3 PRO A 5 22.291 29.086 24.754 1.00 0.00 H new ATOM 0 HD2 PRO A 5 24.708 30.212 25.359 1.00 0.00 H new ATOM 0 HD3 PRO A 5 23.896 29.157 26.500 1.00 0.00 H new ATOM 73 N CYS A 6 25.660 26.107 22.340 1.00 0.00 N ATOM 74 CA CYS A 6 26.232 25.877 21.002 1.00 0.00 C ATOM 75 C CYS A 6 25.342 25.002 20.095 1.00 0.00 C ATOM 76 O CYS A 6 24.285 24.524 20.512 1.00 0.00 O ATOM 77 CB CYS A 6 27.616 25.234 21.173 1.00 0.00 C ATOM 78 SG CYS A 6 27.637 23.732 22.201 1.00 0.00 S ATOM 0 H CYS A 6 25.195 25.275 22.702 1.00 0.00 H new ATOM 0 HA CYS A 6 26.306 26.842 20.500 1.00 0.00 H new ATOM 0 HB2 CYS A 6 28.011 24.988 20.187 1.00 0.00 H new ATOM 0 HB3 CYS A 6 28.291 25.968 21.613 1.00 0.00 H new ATOM 83 N SER A 7 25.765 24.790 18.846 1.00 0.00 N ATOM 84 CA SER A 7 25.129 23.903 17.859 1.00 0.00 C ATOM 85 C SER A 7 26.049 22.730 17.500 1.00 0.00 C ATOM 86 O SER A 7 25.626 21.567 17.524 1.00 0.00 O ATOM 87 CB SER A 7 24.779 24.705 16.593 1.00 0.00 C ATOM 88 OG SER A 7 23.430 24.496 16.225 1.00 0.00 O ATOM 0 H SER A 7 26.596 25.250 18.475 1.00 0.00 H new ATOM 0 HA SER A 7 24.217 23.496 18.296 1.00 0.00 H new ATOM 0 HB2 SER A 7 24.952 25.767 16.770 1.00 0.00 H new ATOM 0 HB3 SER A 7 25.435 24.407 15.775 1.00 0.00 H new ATOM 0 HG SER A 7 23.226 25.015 15.419 1.00 0.00 H new ATOM 94 N SER A 8 27.318 23.043 17.210 1.00 0.00 N ATOM 95 CA SER A 8 28.419 22.121 16.915 1.00 0.00 C ATOM 96 C SER A 8 29.689 22.522 17.687 1.00 0.00 C ATOM 97 O SER A 8 29.686 23.460 18.480 1.00 0.00 O ATOM 98 CB SER A 8 28.673 22.105 15.405 1.00 0.00 C ATOM 99 OG SER A 8 29.498 21.020 15.027 1.00 0.00 O ATOM 0 H SER A 8 27.623 24.016 17.173 1.00 0.00 H new ATOM 0 HA SER A 8 28.145 21.117 17.239 1.00 0.00 H new ATOM 0 HB2 SER A 8 27.722 22.041 14.876 1.00 0.00 H new ATOM 0 HB3 SER A 8 29.142 23.042 15.105 1.00 0.00 H new ATOM 0 HG SER A 8 30.414 21.339 14.888 1.00 0.00 H new ATOM 105 N ASN A 9 30.785 21.789 17.486 1.00 0.00 N ATOM 106 CA ASN A 9 32.067 22.002 18.169 1.00 0.00 C ATOM 107 C ASN A 9 32.749 23.325 17.802 1.00 0.00 C ATOM 108 O ASN A 9 33.289 24.036 18.649 1.00 0.00 O ATOM 109 CB ASN A 9 33.015 20.846 17.792 1.00 0.00 C ATOM 110 CG ASN A 9 32.769 19.572 18.588 1.00 0.00 C ATOM 111 OD1 ASN A 9 31.874 19.449 19.411 1.00 0.00 O ATOM 112 ND2 ASN A 9 33.584 18.563 18.381 1.00 0.00 N ATOM 0 H ASN A 9 30.809 21.010 16.827 1.00 0.00 H new ATOM 0 HA ASN A 9 31.857 22.038 19.238 1.00 0.00 H new ATOM 0 HB2 ASN A 9 32.904 20.628 16.730 1.00 0.00 H new ATOM 0 HB3 ASN A 9 34.045 21.167 17.946 1.00 0.00 H new ATOM 0 HD21 ASN A 9 33.464 17.695 18.903 1.00 0.00 H new ATOM 0 HD22 ASN A 9 34.337 18.647 17.698 1.00 0.00 H new ATOM 119 N SER A 10 32.747 23.643 16.509 1.00 0.00 N ATOM 120 CA SER A 10 33.462 24.791 15.949 1.00 0.00 C ATOM 121 C SER A 10 32.918 26.145 16.400 1.00 0.00 C ATOM 122 O SER A 10 33.632 27.142 16.351 1.00 0.00 O ATOM 123 CB SER A 10 33.546 24.686 14.432 1.00 0.00 C ATOM 124 OG SER A 10 33.978 23.401 14.020 1.00 0.00 O ATOM 0 H SER A 10 32.240 23.102 15.808 1.00 0.00 H new ATOM 0 HA SER A 10 34.472 24.748 16.356 1.00 0.00 H new ATOM 0 HB2 SER A 10 32.569 24.898 13.998 1.00 0.00 H new ATOM 0 HB3 SER A 10 34.235 25.441 14.052 1.00 0.00 H new ATOM 0 HG SER A 10 34.019 23.368 13.041 1.00 0.00 H new ATOM 130 N ASP A 11 31.702 26.158 16.935 1.00 0.00 N ATOM 131 CA ASP A 11 30.999 27.278 17.551 1.00 0.00 C ATOM 132 C ASP A 11 31.779 27.938 18.713 1.00 0.00 C ATOM 133 O ASP A 11 31.494 29.081 19.059 1.00 0.00 O ATOM 134 CB ASP A 11 29.673 26.722 18.112 1.00 0.00 C ATOM 135 CG ASP A 11 28.689 26.139 17.084 1.00 0.00 C ATOM 136 OD1 ASP A 11 29.102 25.341 16.213 1.00 0.00 O ATOM 137 OD2 ASP A 11 27.471 26.407 17.227 1.00 0.00 O ATOM 0 H ASP A 11 31.133 25.311 16.950 1.00 0.00 H new ATOM 0 HA ASP A 11 30.860 28.048 16.792 1.00 0.00 H new ATOM 0 HB2 ASP A 11 29.908 25.945 18.839 1.00 0.00 H new ATOM 0 HB3 ASP A 11 29.168 27.522 18.653 1.00 0.00 H new ATOM 142 N CYS A 12 32.785 27.257 19.287 1.00 0.00 N ATOM 143 CA CYS A 12 33.542 27.686 20.474 1.00 0.00 C ATOM 144 C CYS A 12 35.048 27.416 20.363 1.00 0.00 C ATOM 145 O CYS A 12 35.809 27.664 21.300 1.00 0.00 O ATOM 146 CB CYS A 12 32.992 26.933 21.693 1.00 0.00 C ATOM 147 SG CYS A 12 31.347 27.430 22.255 1.00 0.00 S ATOM 0 H CYS A 12 33.105 26.359 18.923 1.00 0.00 H new ATOM 0 HA CYS A 12 33.419 28.765 20.569 1.00 0.00 H new ATOM 0 HB2 CYS A 12 32.968 25.869 21.457 1.00 0.00 H new ATOM 0 HB3 CYS A 12 33.691 27.061 22.520 1.00 0.00 H new ATOM 152 N ILE A 13 35.497 26.897 19.222 1.00 0.00 N ATOM 153 CA ILE A 13 36.882 26.611 18.921 1.00 0.00 C ATOM 154 C ILE A 13 37.666 27.924 18.797 1.00 0.00 C ATOM 155 O ILE A 13 37.145 28.946 18.355 1.00 0.00 O ATOM 156 CB ILE A 13 36.862 25.755 17.651 1.00 0.00 C ATOM 157 CG1 ILE A 13 36.704 24.289 18.088 1.00 0.00 C ATOM 158 CG2 ILE A 13 38.108 25.911 16.820 1.00 0.00 C ATOM 159 CD1 ILE A 13 36.751 23.261 16.962 1.00 0.00 C ATOM 0 H ILE A 13 34.871 26.657 18.454 1.00 0.00 H new ATOM 0 HA ILE A 13 37.397 26.057 19.706 1.00 0.00 H new ATOM 0 HB ILE A 13 36.034 26.081 17.021 1.00 0.00 H new ATOM 0 HG12 ILE A 13 37.492 24.054 18.804 1.00 0.00 H new ATOM 0 HG13 ILE A 13 35.754 24.185 18.613 1.00 0.00 H new ATOM 0 HG21 ILE A 13 38.036 25.280 15.934 1.00 0.00 H new ATOM 0 HG22 ILE A 13 38.215 26.952 16.517 1.00 0.00 H new ATOM 0 HG23 ILE A 13 38.977 25.613 17.407 1.00 0.00 H new ATOM 0 HD11 ILE A 13 36.630 22.261 17.377 1.00 0.00 H new ATOM 0 HD12 ILE A 13 35.946 23.460 16.254 1.00 0.00 H new ATOM 0 HD13 ILE A 13 37.710 23.327 16.449 1.00 0.00 H new ATOM 171 N GLY A 14 38.950 27.885 19.154 1.00 0.00 N ATOM 172 CA GLY A 14 39.895 28.999 19.008 1.00 0.00 C ATOM 173 C GLY A 14 39.718 30.130 20.028 1.00 0.00 C ATOM 174 O GLY A 14 40.692 30.540 20.657 1.00 0.00 O ATOM 0 H GLY A 14 39.376 27.055 19.565 1.00 0.00 H new ATOM 0 HA2 GLY A 14 40.910 28.610 19.091 1.00 0.00 H new ATOM 0 HA3 GLY A 14 39.794 29.414 18.005 1.00 0.00 H new ATOM 178 N ILE A 15 38.484 30.611 20.221 1.00 0.00 N ATOM 179 CA ILE A 15 38.131 31.695 21.149 1.00 0.00 C ATOM 180 C ILE A 15 38.491 31.341 22.594 1.00 0.00 C ATOM 181 O ILE A 15 38.925 32.183 23.380 1.00 0.00 O ATOM 182 CB ILE A 15 36.671 32.168 20.928 1.00 0.00 C ATOM 183 CG1 ILE A 15 35.517 31.168 21.150 1.00 0.00 C ATOM 184 CG2 ILE A 15 36.544 32.578 19.458 1.00 0.00 C ATOM 185 CD1 ILE A 15 35.321 30.753 22.601 1.00 0.00 C ATOM 0 H ILE A 15 37.675 30.245 19.719 1.00 0.00 H new ATOM 0 HA ILE A 15 38.744 32.568 20.925 1.00 0.00 H new ATOM 0 HB ILE A 15 36.546 32.940 21.687 1.00 0.00 H new ATOM 0 HG12 ILE A 15 34.591 31.611 20.783 1.00 0.00 H new ATOM 0 HG13 ILE A 15 35.703 30.277 20.551 1.00 0.00 H new ATOM 0 HG21 ILE A 15 35.527 32.918 19.262 1.00 0.00 H new ATOM 0 HG22 ILE A 15 37.244 33.385 19.244 1.00 0.00 H new ATOM 0 HG23 ILE A 15 36.770 31.723 18.821 1.00 0.00 H new ATOM 0 HD11 ILE A 15 34.491 30.050 22.669 1.00 0.00 H new ATOM 0 HD12 ILE A 15 36.230 30.278 22.970 1.00 0.00 H new ATOM 0 HD13 ILE A 15 35.101 31.633 23.205 1.00 0.00 H new ATOM 197 N THR A 16 38.362 30.064 22.929 1.00 0.00 N ATOM 198 CA THR A 16 38.719 29.396 24.166 1.00 0.00 C ATOM 199 C THR A 16 38.949 27.900 23.859 1.00 0.00 C ATOM 200 O THR A 16 38.503 27.374 22.840 1.00 0.00 O ATOM 201 CB THR A 16 37.583 29.598 25.165 1.00 0.00 C ATOM 202 OG1 THR A 16 37.457 30.967 25.467 1.00 0.00 O ATOM 203 CG2 THR A 16 37.916 28.904 26.461 1.00 0.00 C ATOM 0 H THR A 16 37.960 29.402 22.265 1.00 0.00 H new ATOM 0 HA THR A 16 39.633 29.804 24.597 1.00 0.00 H new ATOM 0 HB THR A 16 36.668 29.201 24.726 1.00 0.00 H new ATOM 0 HG1 THR A 16 36.508 31.203 25.524 1.00 0.00 H new ATOM 0 HG21 THR A 16 37.103 29.051 27.172 1.00 0.00 H new ATOM 0 HG22 THR A 16 38.051 27.838 26.279 1.00 0.00 H new ATOM 0 HG23 THR A 16 38.836 29.321 26.871 1.00 0.00 H new ATOM 211 N LEU A 17 39.636 27.184 24.746 1.00 0.00 N ATOM 212 CA LEU A 17 39.877 25.741 24.735 1.00 0.00 C ATOM 213 C LEU A 17 38.603 24.923 25.084 1.00 0.00 C ATOM 214 O LEU A 17 38.650 24.057 25.948 1.00 0.00 O ATOM 215 CB LEU A 17 41.009 25.481 25.753 1.00 0.00 C ATOM 216 CG LEU A 17 42.265 26.346 25.603 1.00 0.00 C ATOM 217 CD1 LEU A 17 43.050 26.136 26.881 1.00 0.00 C ATOM 218 CD2 LEU A 17 43.053 25.896 24.384 1.00 0.00 C ATOM 0 H LEU A 17 40.072 27.630 25.553 1.00 0.00 H new ATOM 0 HA LEU A 17 40.160 25.414 23.734 1.00 0.00 H new ATOM 0 HB2 LEU A 17 40.609 25.629 26.756 1.00 0.00 H new ATOM 0 HB3 LEU A 17 41.303 24.434 25.679 1.00 0.00 H new ATOM 0 HG LEU A 17 42.036 27.401 25.456 1.00 0.00 H new ATOM 0 HD11 LEU A 17 43.966 26.726 26.846 1.00 0.00 H new ATOM 0 HD12 LEU A 17 42.448 26.450 27.734 1.00 0.00 H new ATOM 0 HD13 LEU A 17 43.302 25.081 26.984 1.00 0.00 H new ATOM 0 HD21 LEU A 17 43.946 26.513 24.280 1.00 0.00 H new ATOM 0 HD22 LEU A 17 43.345 24.853 24.504 1.00 0.00 H new ATOM 0 HD23 LEU A 17 42.434 25.999 23.492 1.00 0.00 H new ATOM 230 N CYS A 18 37.461 25.164 24.429 1.00 0.00 N ATOM 231 CA CYS A 18 36.159 24.543 24.744 1.00 0.00 C ATOM 232 C CYS A 18 35.536 23.958 23.469 1.00 0.00 C ATOM 233 O CYS A 18 34.398 24.255 23.114 1.00 0.00 O ATOM 234 CB CYS A 18 35.227 25.554 25.435 1.00 0.00 C ATOM 235 SG CYS A 18 35.751 26.161 27.062 1.00 0.00 S ATOM 0 H CYS A 18 37.411 25.813 23.644 1.00 0.00 H new ATOM 0 HA CYS A 18 36.312 23.722 25.445 1.00 0.00 H new ATOM 0 HB2 CYS A 18 35.105 26.412 24.774 1.00 0.00 H new ATOM 0 HB3 CYS A 18 34.245 25.093 25.543 1.00 0.00 H new ATOM 240 N GLN A 19 36.320 23.153 22.747 1.00 0.00 N ATOM 241 CA GLN A 19 35.926 22.600 21.445 1.00 0.00 C ATOM 242 C GLN A 19 34.751 21.612 21.518 1.00 0.00 C ATOM 243 O GLN A 19 34.093 21.379 20.515 1.00 0.00 O ATOM 244 CB GLN A 19 37.080 21.828 20.776 1.00 0.00 C ATOM 245 CG GLN A 19 38.527 22.128 21.188 1.00 0.00 C ATOM 246 CD GLN A 19 39.533 21.599 20.159 1.00 0.00 C ATOM 247 OE1 GLN A 19 39.321 20.614 19.465 1.00 0.00 O ATOM 248 NE2 GLN A 19 40.662 22.257 20.005 1.00 0.00 N ATOM 0 H GLN A 19 37.250 22.864 23.049 1.00 0.00 H new ATOM 0 HA GLN A 19 35.636 23.480 20.871 1.00 0.00 H new ATOM 0 HB2 GLN A 19 36.905 20.766 20.947 1.00 0.00 H new ATOM 0 HB3 GLN A 19 37.005 21.994 19.701 1.00 0.00 H new ATOM 0 HG2 GLN A 19 38.657 23.204 21.303 1.00 0.00 H new ATOM 0 HG3 GLN A 19 38.729 21.677 22.159 1.00 0.00 H new ATOM 0 HE21 GLN A 19 40.854 23.080 20.576 1.00 0.00 H new ATOM 0 HE22 GLN A 19 41.345 21.944 19.315 1.00 0.00 H new ATOM 257 N PHE A 20 34.509 20.980 22.668 1.00 0.00 N ATOM 258 CA PHE A 20 33.516 19.919 22.813 1.00 0.00 C ATOM 259 C PHE A 20 32.106 20.424 23.151 1.00 0.00 C ATOM 260 O PHE A 20 31.728 20.557 24.316 1.00 0.00 O ATOM 261 CB PHE A 20 34.069 18.876 23.797 1.00 0.00 C ATOM 262 CG PHE A 20 35.222 18.074 23.210 1.00 0.00 C ATOM 263 CD1 PHE A 20 34.936 16.927 22.441 1.00 0.00 C ATOM 264 CD2 PHE A 20 36.567 18.472 23.379 1.00 0.00 C ATOM 265 CE1 PHE A 20 35.973 16.198 21.833 1.00 0.00 C ATOM 266 CE2 PHE A 20 37.603 17.746 22.764 1.00 0.00 C ATOM 267 CZ PHE A 20 37.308 16.613 21.988 1.00 0.00 C ATOM 0 H PHE A 20 35.004 21.195 23.534 1.00 0.00 H new ATOM 0 HA PHE A 20 33.362 19.440 21.846 1.00 0.00 H new ATOM 0 HB2 PHE A 20 34.405 19.379 24.704 1.00 0.00 H new ATOM 0 HB3 PHE A 20 33.269 18.196 24.088 1.00 0.00 H new ATOM 0 HD1 PHE A 20 33.912 16.606 22.318 1.00 0.00 H new ATOM 0 HD2 PHE A 20 36.801 19.337 23.982 1.00 0.00 H new ATOM 0 HE1 PHE A 20 35.745 15.320 21.247 1.00 0.00 H new ATOM 0 HE2 PHE A 20 38.629 18.061 22.889 1.00 0.00 H new ATOM 0 HZ PHE A 20 38.105 16.061 21.511 1.00 0.00 H new ATOM 277 N CYS A 21 31.302 20.680 22.115 1.00 0.00 N ATOM 278 CA CYS A 21 29.890 21.057 22.237 1.00 0.00 C ATOM 279 C CYS A 21 29.070 19.842 22.714 1.00 0.00 C ATOM 280 O CYS A 21 28.538 19.053 21.927 1.00 0.00 O ATOM 281 CB CYS A 21 29.404 21.621 20.901 1.00 0.00 C ATOM 282 SG CYS A 21 27.676 22.170 20.893 1.00 0.00 S ATOM 0 H CYS A 21 31.621 20.630 21.147 1.00 0.00 H new ATOM 0 HA CYS A 21 29.759 21.839 22.985 1.00 0.00 H new ATOM 0 HB2 CYS A 21 30.039 22.462 20.625 1.00 0.00 H new ATOM 0 HB3 CYS A 21 29.532 20.859 20.132 1.00 0.00 H new ATOM 287 N LYS A 22 29.023 19.659 24.032 1.00 0.00 N ATOM 288 CA LYS A 22 28.422 18.535 24.748 1.00 0.00 C ATOM 289 C LYS A 22 26.945 18.707 25.023 1.00 0.00 C ATOM 290 O LYS A 22 26.504 19.776 25.432 1.00 0.00 O ATOM 291 CB LYS A 22 29.149 18.393 26.098 1.00 0.00 C ATOM 292 CG LYS A 22 30.226 17.325 26.011 1.00 0.00 C ATOM 293 CD LYS A 22 29.652 15.901 26.012 1.00 0.00 C ATOM 294 CE LYS A 22 29.906 15.199 24.670 1.00 0.00 C ATOM 295 NZ LYS A 22 29.769 13.733 24.793 1.00 0.00 N ATOM 0 H LYS A 22 29.432 20.339 24.672 1.00 0.00 H new ATOM 0 HA LYS A 22 28.526 17.654 24.114 1.00 0.00 H new ATOM 0 HB2 LYS A 22 29.596 19.347 26.380 1.00 0.00 H new ATOM 0 HB3 LYS A 22 28.433 18.134 26.878 1.00 0.00 H new ATOM 0 HG2 LYS A 22 30.809 17.476 25.103 1.00 0.00 H new ATOM 0 HG3 LYS A 22 30.911 17.437 26.852 1.00 0.00 H new ATOM 0 HD2 LYS A 22 30.105 15.324 26.819 1.00 0.00 H new ATOM 0 HD3 LYS A 22 28.581 15.938 26.209 1.00 0.00 H new ATOM 0 HE2 LYS A 22 29.202 15.570 23.925 1.00 0.00 H new ATOM 0 HE3 LYS A 22 30.907 15.444 24.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 29.947 13.289 23.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 30.457 13.377 25.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 28.806 13.500 25.110 1.00 0.00 H new ATOM 309 N GLU A 23 26.205 17.612 24.881 1.00 0.00 N ATOM 310 CA GLU A 23 24.790 17.558 25.232 1.00 0.00 C ATOM 311 C GLU A 23 24.606 16.940 26.613 1.00 0.00 C ATOM 312 O GLU A 23 24.781 15.739 26.820 1.00 0.00 O ATOM 313 CB GLU A 23 23.909 16.900 24.156 1.00 0.00 C ATOM 314 CG GLU A 23 22.777 17.837 23.756 1.00 0.00 C ATOM 315 CD GLU A 23 22.107 17.476 22.416 1.00 0.00 C ATOM 316 OE1 GLU A 23 22.414 16.418 21.818 1.00 0.00 O ATOM 317 OE2 GLU A 23 21.336 18.305 21.887 1.00 0.00 O ATOM 0 H GLU A 23 26.572 16.733 24.517 1.00 0.00 H new ATOM 0 HA GLU A 23 24.433 18.587 25.276 1.00 0.00 H new ATOM 0 HB2 GLU A 23 24.513 16.654 23.282 1.00 0.00 H new ATOM 0 HB3 GLU A 23 23.499 15.964 24.534 1.00 0.00 H new ATOM 0 HG2 GLU A 23 22.021 17.832 24.541 1.00 0.00 H new ATOM 0 HG3 GLU A 23 23.166 18.853 23.694 1.00 0.00 H new ATOM 324 N LYS A 24 24.279 17.805 27.569 1.00 0.00 N ATOM 325 CA LYS A 24 23.958 17.477 28.960 1.00 0.00 C ATOM 326 C LYS A 24 22.599 18.066 29.299 1.00 0.00 C ATOM 327 O LYS A 24 21.948 18.646 28.436 1.00 0.00 O ATOM 328 CB LYS A 24 25.122 17.868 29.880 1.00 0.00 C ATOM 329 CG LYS A 24 25.240 19.373 30.169 1.00 0.00 C ATOM 330 CD LYS A 24 26.507 19.751 30.971 1.00 0.00 C ATOM 331 CE LYS A 24 26.918 18.707 32.021 1.00 0.00 C ATOM 332 NZ LYS A 24 27.901 19.223 33.004 1.00 0.00 N ATOM 0 H LYS A 24 24.227 18.807 27.387 1.00 0.00 H new ATOM 0 HA LYS A 24 23.855 16.403 29.117 1.00 0.00 H new ATOM 0 HB2 LYS A 24 25.012 17.339 30.826 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.053 17.525 29.429 1.00 0.00 H new ATOM 0 HG2 LYS A 24 25.242 19.917 29.224 1.00 0.00 H new ATOM 0 HG3 LYS A 24 24.359 19.699 30.722 1.00 0.00 H new ATOM 0 HD2 LYS A 24 27.334 19.897 30.276 1.00 0.00 H new ATOM 0 HD3 LYS A 24 26.337 20.705 31.470 1.00 0.00 H new ATOM 0 HE2 LYS A 24 26.029 18.365 32.551 1.00 0.00 H new ATOM 0 HE3 LYS A 24 27.341 17.839 31.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 28.138 18.473 33.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 28.763 19.525 32.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 27.492 20.034 33.511 1.00 0.00 H new ATOM 346 N THR A 25 22.130 17.870 30.520 1.00 0.00 N ATOM 347 CA THR A 25 20.766 18.281 30.867 1.00 0.00 C ATOM 348 C THR A 25 20.644 18.850 32.257 1.00 0.00 C ATOM 349 O THR A 25 21.529 18.680 33.097 1.00 0.00 O ATOM 350 CB THR A 25 19.844 17.109 30.567 1.00 0.00 C ATOM 351 OG1 THR A 25 18.491 17.355 30.522 1.00 0.00 O ATOM 352 CG2 THR A 25 19.891 16.064 31.627 1.00 0.00 C ATOM 0 H THR A 25 22.656 17.438 31.280 1.00 0.00 H new ATOM 0 HA THR A 25 20.460 19.128 30.253 1.00 0.00 H new ATOM 0 HB THR A 25 20.231 16.832 29.586 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.088 16.837 29.794 1.00 0.00 H new ATOM 0 HG21 THR A 25 19.215 15.250 31.365 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.907 15.679 31.714 1.00 0.00 H new ATOM 0 HG23 THR A 25 19.585 16.497 32.579 1.00 0.00 H new ATOM 360 N ASP A 26 19.555 19.574 32.465 1.00 0.00 N ATOM 361 CA ASP A 26 19.310 20.278 33.702 1.00 0.00 C ATOM 362 C ASP A 26 18.827 19.306 34.784 1.00 0.00 C ATOM 363 O ASP A 26 18.457 18.161 34.522 1.00 0.00 O ATOM 364 CB ASP A 26 18.290 21.412 33.480 1.00 0.00 C ATOM 365 CG ASP A 26 18.709 22.674 34.238 1.00 0.00 C ATOM 366 OD1 ASP A 26 19.238 22.521 35.364 1.00 0.00 O ATOM 367 OD2 ASP A 26 18.525 23.789 33.709 1.00 0.00 O ATOM 0 H ASP A 26 18.815 19.687 31.772 1.00 0.00 H new ATOM 0 HA ASP A 26 20.244 20.725 34.043 1.00 0.00 H new ATOM 0 HB2 ASP A 26 18.209 21.631 32.415 1.00 0.00 H new ATOM 0 HB3 ASP A 26 17.304 21.091 33.815 1.00 0.00 H new ATOM 372 N GLN A 27 18.672 19.812 36.001 1.00 0.00 N ATOM 373 CA GLN A 27 18.115 19.050 37.128 1.00 0.00 C ATOM 374 C GLN A 27 16.619 18.703 36.951 1.00 0.00 C ATOM 375 O GLN A 27 15.991 18.091 37.809 1.00 0.00 O ATOM 376 CB GLN A 27 18.339 19.827 38.435 1.00 0.00 C ATOM 377 CG GLN A 27 17.539 21.141 38.497 1.00 0.00 C ATOM 378 CD GLN A 27 17.309 21.577 39.945 1.00 0.00 C ATOM 379 OE1 GLN A 27 18.083 22.291 40.565 1.00 0.00 O ATOM 380 NE2 GLN A 27 16.238 21.130 40.566 1.00 0.00 N ATOM 0 H GLN A 27 18.929 20.769 36.243 1.00 0.00 H new ATOM 0 HA GLN A 27 18.643 18.097 37.165 1.00 0.00 H new ATOM 0 HB2 GLN A 27 18.058 19.197 39.279 1.00 0.00 H new ATOM 0 HB3 GLN A 27 19.401 20.049 38.542 1.00 0.00 H new ATOM 0 HG2 GLN A 27 18.075 21.923 37.959 1.00 0.00 H new ATOM 0 HG3 GLN A 27 16.580 21.010 37.996 1.00 0.00 H new ATOM 0 HE21 GLN A 27 15.575 20.532 40.073 1.00 0.00 H new ATOM 0 HE22 GLN A 27 16.071 21.381 41.540 1.00 0.00 H new ATOM 389 N TYR A 28 16.049 19.148 35.834 1.00 0.00 N ATOM 390 CA TYR A 28 14.680 18.986 35.366 1.00 0.00 C ATOM 391 C TYR A 28 14.578 17.932 34.250 1.00 0.00 C ATOM 392 O TYR A 28 13.480 17.475 33.932 1.00 0.00 O ATOM 393 CB TYR A 28 14.278 20.342 34.779 1.00 0.00 C ATOM 394 CG TYR A 28 14.363 21.555 35.682 1.00 0.00 C ATOM 395 CD1 TYR A 28 13.877 21.532 37.004 1.00 0.00 C ATOM 396 CD2 TYR A 28 14.927 22.731 35.157 1.00 0.00 C ATOM 397 CE1 TYR A 28 13.951 22.693 37.798 1.00 0.00 C ATOM 398 CE2 TYR A 28 14.986 23.896 35.937 1.00 0.00 C ATOM 399 CZ TYR A 28 14.503 23.880 37.263 1.00 0.00 C ATOM 400 OH TYR A 28 14.561 25.005 38.024 1.00 0.00 O ATOM 0 H TYR A 28 16.597 19.689 35.165 1.00 0.00 H new ATOM 0 HA TYR A 28 14.042 18.661 36.188 1.00 0.00 H new ATOM 0 HB2 TYR A 28 14.905 20.529 33.907 1.00 0.00 H new ATOM 0 HB3 TYR A 28 13.251 20.261 34.422 1.00 0.00 H new ATOM 0 HD1 TYR A 28 13.449 20.626 37.408 1.00 0.00 H new ATOM 0 HD2 TYR A 28 15.316 22.738 34.150 1.00 0.00 H new ATOM 0 HE1 TYR A 28 13.587 22.677 38.815 1.00 0.00 H new ATOM 0 HE2 TYR A 28 15.400 24.803 35.523 1.00 0.00 H new ATOM 0 HH TYR A 28 14.969 25.730 37.506 1.00 0.00 H new ATOM 410 N GLY A 29 15.714 17.586 33.628 1.00 0.00 N ATOM 411 CA GLY A 29 15.818 16.683 32.472 1.00 0.00 C ATOM 412 C GLY A 29 15.722 17.386 31.113 1.00 0.00 C ATOM 413 O GLY A 29 15.541 16.735 30.083 1.00 0.00 O ATOM 0 H GLY A 29 16.622 17.941 33.928 1.00 0.00 H new ATOM 0 HA2 GLY A 29 16.767 16.150 32.526 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.028 15.935 32.538 1.00 0.00 H new ATOM 417 N LEU A 30 15.873 18.715 31.086 1.00 0.00 N ATOM 418 CA LEU A 30 15.922 19.532 29.868 1.00 0.00 C ATOM 419 C LEU A 30 17.318 19.497 29.308 1.00 0.00 C ATOM 420 O LEU A 30 18.239 20.022 29.918 1.00 0.00 O ATOM 421 CB LEU A 30 15.690 20.998 30.180 1.00 0.00 C ATOM 422 CG LEU A 30 14.239 21.429 30.212 1.00 0.00 C ATOM 423 CD1 LEU A 30 13.637 20.703 31.369 1.00 0.00 C ATOM 424 CD2 LEU A 30 14.307 22.897 30.535 1.00 0.00 C ATOM 0 H LEU A 30 15.967 19.269 31.937 1.00 0.00 H new ATOM 0 HA LEU A 30 15.165 19.137 29.190 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.140 21.223 31.147 1.00 0.00 H new ATOM 0 HB3 LEU A 30 16.214 21.598 29.437 1.00 0.00 H new ATOM 0 HG LEU A 30 13.674 21.236 29.300 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.583 20.966 31.455 1.00 0.00 H new ATOM 0 HD12 LEU A 30 13.731 19.628 31.213 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.157 20.983 32.285 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.298 23.307 30.581 1.00 0.00 H new ATOM 0 HD22 LEU A 30 14.799 23.035 31.498 1.00 0.00 H new ATOM 0 HD23 LEU A 30 14.873 23.414 29.760 1.00 0.00 H new ATOM 436 N THR A 31 17.473 18.835 28.188 1.00 0.00 N ATOM 437 CA THR A 31 18.742 18.617 27.533 1.00 0.00 C ATOM 438 C THR A 31 19.101 19.822 26.660 1.00 0.00 C ATOM 439 O THR A 31 18.252 20.385 25.971 1.00 0.00 O ATOM 440 CB THR A 31 18.659 17.338 26.701 1.00 0.00 C ATOM 441 OG1 THR A 31 18.523 16.222 27.555 1.00 0.00 O ATOM 442 CG2 THR A 31 19.946 17.198 25.920 1.00 0.00 C ATOM 0 H THR A 31 16.689 18.417 27.687 1.00 0.00 H new ATOM 0 HA THR A 31 19.529 18.503 28.278 1.00 0.00 H new ATOM 0 HB THR A 31 17.801 17.387 26.030 1.00 0.00 H new ATOM 0 HG1 THR A 31 18.468 15.404 27.018 1.00 0.00 H new ATOM 0 HG21 THR A 31 19.909 16.290 25.318 1.00 0.00 H new ATOM 0 HG22 THR A 31 20.071 18.062 25.267 1.00 0.00 H new ATOM 0 HG23 THR A 31 20.787 17.141 26.611 1.00 0.00 H new ATOM 450 N TYR A 32 20.382 20.175 26.629 1.00 0.00 N ATOM 451 CA TYR A 32 20.940 21.290 25.877 1.00 0.00 C ATOM 452 C TYR A 32 22.405 21.048 25.484 1.00 0.00 C ATOM 453 O TYR A 32 23.126 20.275 26.114 1.00 0.00 O ATOM 454 CB TYR A 32 20.823 22.559 26.727 1.00 0.00 C ATOM 455 CG TYR A 32 21.174 22.338 28.178 1.00 0.00 C ATOM 456 CD1 TYR A 32 22.515 22.329 28.566 1.00 0.00 C ATOM 457 CD2 TYR A 32 20.178 22.046 29.119 1.00 0.00 C ATOM 458 CE1 TYR A 32 22.859 22.214 29.927 1.00 0.00 C ATOM 459 CE2 TYR A 32 20.492 21.900 30.476 1.00 0.00 C ATOM 460 CZ TYR A 32 21.839 22.015 30.895 1.00 0.00 C ATOM 461 OH TYR A 32 22.158 21.855 32.206 1.00 0.00 O ATOM 0 H TYR A 32 21.093 19.665 27.154 1.00 0.00 H new ATOM 0 HA TYR A 32 20.378 21.398 24.949 1.00 0.00 H new ATOM 0 HB2 TYR A 32 21.478 23.326 26.314 1.00 0.00 H new ATOM 0 HB3 TYR A 32 19.804 22.940 26.661 1.00 0.00 H new ATOM 0 HD1 TYR A 32 23.292 22.411 27.820 1.00 0.00 H new ATOM 0 HD2 TYR A 32 19.155 21.932 28.794 1.00 0.00 H new ATOM 0 HE1 TYR A 32 23.893 22.277 30.233 1.00 0.00 H new ATOM 0 HE2 TYR A 32 19.713 21.701 31.197 1.00 0.00 H new ATOM 0 HH TYR A 32 21.404 22.140 32.763 1.00 0.00 H new ATOM 471 N ARG A 33 22.847 21.754 24.442 1.00 0.00 N ATOM 472 CA ARG A 33 24.208 21.763 23.899 1.00 0.00 C ATOM 473 C ARG A 33 25.020 22.915 24.458 1.00 0.00 C ATOM 474 O ARG A 33 24.659 24.068 24.254 1.00 0.00 O ATOM 475 CB ARG A 33 24.151 21.910 22.378 1.00 0.00 C ATOM 476 CG ARG A 33 23.673 20.620 21.760 1.00 0.00 C ATOM 477 CD ARG A 33 23.550 20.704 20.249 1.00 0.00 C ATOM 478 NE ARG A 33 22.971 19.427 19.849 1.00 0.00 N ATOM 479 CZ ARG A 33 23.545 18.510 19.100 1.00 0.00 C ATOM 480 NH1 ARG A 33 24.467 18.798 18.223 1.00 0.00 N ATOM 481 NH2 ARG A 33 23.241 17.257 19.255 1.00 0.00 N ATOM 0 H ARG A 33 22.226 22.374 23.922 1.00 0.00 H new ATOM 0 HA ARG A 33 24.684 20.824 24.181 1.00 0.00 H new ATOM 0 HB2 ARG A 33 23.480 22.725 22.107 1.00 0.00 H new ATOM 0 HB3 ARG A 33 25.137 22.167 21.991 1.00 0.00 H new ATOM 0 HG2 ARG A 33 24.365 19.819 22.020 1.00 0.00 H new ATOM 0 HG3 ARG A 33 22.705 20.355 22.185 1.00 0.00 H new ATOM 0 HD2 ARG A 33 22.914 21.537 19.950 1.00 0.00 H new ATOM 0 HD3 ARG A 33 24.522 20.861 19.781 1.00 0.00 H new ATOM 0 HE ARG A 33 22.029 19.225 20.183 1.00 0.00 H new ATOM 0 HH11 ARG A 33 24.768 19.765 18.098 1.00 0.00 H new ATOM 0 HH12 ARG A 33 24.887 18.057 17.662 1.00 0.00 H new ATOM 0 HH21 ARG A 33 22.556 16.982 19.959 1.00 0.00 H new ATOM 0 HH22 ARG A 33 23.687 16.548 18.673 1.00 0.00 H new ATOM 495 N THR A 34 26.111 22.596 25.140 1.00 0.00 N ATOM 496 CA THR A 34 26.987 23.535 25.858 1.00 0.00 C ATOM 497 C THR A 34 28.460 23.207 25.646 1.00 0.00 C ATOM 498 O THR A 34 28.849 22.039 25.641 1.00 0.00 O ATOM 499 CB THR A 34 26.667 23.520 27.357 1.00 0.00 C ATOM 500 OG1 THR A 34 26.532 22.200 27.850 1.00 0.00 O ATOM 501 CG2 THR A 34 25.357 24.262 27.600 1.00 0.00 C ATOM 0 H THR A 34 26.432 21.631 25.216 1.00 0.00 H new ATOM 0 HA THR A 34 26.800 24.530 25.454 1.00 0.00 H new ATOM 0 HB THR A 34 27.493 24.003 27.878 1.00 0.00 H new ATOM 0 HG1 THR A 34 26.330 22.228 28.809 1.00 0.00 H new ATOM 0 HG21 THR A 34 25.126 24.253 28.665 1.00 0.00 H new ATOM 0 HG22 THR A 34 25.454 25.292 27.258 1.00 0.00 H new ATOM 0 HG23 THR A 34 24.554 23.771 27.051 1.00 0.00 H new ATOM 509 N CYS A 35 29.285 24.238 25.480 1.00 0.00 N ATOM 510 CA CYS A 35 30.712 24.089 25.156 1.00 0.00 C ATOM 511 C CYS A 35 31.572 23.652 26.354 1.00 0.00 C ATOM 512 O CYS A 35 32.087 24.487 27.096 1.00 0.00 O ATOM 513 CB CYS A 35 31.234 25.387 24.528 1.00 0.00 C ATOM 514 SG CYS A 35 30.550 25.672 22.883 1.00 0.00 S ATOM 0 H CYS A 35 28.986 25.209 25.566 1.00 0.00 H new ATOM 0 HA CYS A 35 30.798 23.277 24.434 1.00 0.00 H new ATOM 0 HB2 CYS A 35 30.983 26.228 25.175 1.00 0.00 H new ATOM 0 HB3 CYS A 35 32.321 25.347 24.465 1.00 0.00 H new ATOM 519 N ASN A 36 31.741 22.342 26.550 1.00 0.00 N ATOM 520 CA ASN A 36 32.621 21.787 27.575 1.00 0.00 C ATOM 521 C ASN A 36 34.077 21.740 27.062 1.00 0.00 C ATOM 522 O ASN A 36 34.366 21.813 25.865 1.00 0.00 O ATOM 523 CB ASN A 36 32.135 20.373 27.982 1.00 0.00 C ATOM 524 CG ASN A 36 32.823 19.884 29.255 1.00 0.00 C ATOM 525 OD1 ASN A 36 33.534 18.779 29.222 1.00 0.00 O flip ATOM 526 ND2 ASN A 36 32.784 20.533 30.288 1.00 0.00 N flip ATOM 0 H ASN A 36 31.265 21.632 25.994 1.00 0.00 H new ATOM 0 HA ASN A 36 32.591 22.429 28.455 1.00 0.00 H new ATOM 0 HB2 ASN A 36 31.056 20.389 28.135 1.00 0.00 H new ATOM 0 HB3 ASN A 36 32.332 19.673 27.170 1.00 0.00 H new ATOM 0 HD21 ASN A 36 32.237 21.393 30.330 1.00 0.00 H new ATOM 0 HD22 ASN A 36 33.299 20.216 31.109 1.00 0.00 H new ATOM 533 N LEU A 37 35.016 21.564 27.990 1.00 0.00 N ATOM 534 CA LEU A 37 36.427 21.368 27.735 1.00 0.00 C ATOM 535 C LEU A 37 36.697 20.030 27.007 1.00 0.00 C ATOM 536 O LEU A 37 37.652 19.925 26.244 1.00 0.00 O ATOM 537 CB LEU A 37 37.097 21.382 29.140 1.00 0.00 C ATOM 538 CG LEU A 37 38.366 22.178 29.350 1.00 0.00 C ATOM 539 CD1 LEU A 37 39.345 21.716 28.316 1.00 0.00 C ATOM 540 CD2 LEU A 37 37.972 23.634 29.292 1.00 0.00 C ATOM 0 H LEU A 37 34.794 21.555 28.986 1.00 0.00 H new ATOM 0 HA LEU A 37 36.825 22.143 27.081 1.00 0.00 H new ATOM 0 HB2 LEU A 37 36.358 21.751 29.851 1.00 0.00 H new ATOM 0 HB3 LEU A 37 37.311 20.348 29.411 1.00 0.00 H new ATOM 0 HG LEU A 37 38.860 22.034 30.311 1.00 0.00 H new ATOM 0 HD11 LEU A 37 40.280 22.265 28.429 1.00 0.00 H new ATOM 0 HD12 LEU A 37 39.533 20.650 28.443 1.00 0.00 H new ATOM 0 HD13 LEU A 37 38.936 21.896 27.322 1.00 0.00 H new ATOM 0 HD21 LEU A 37 38.855 24.256 29.438 1.00 0.00 H new ATOM 0 HD22 LEU A 37 37.531 23.853 28.320 1.00 0.00 H new ATOM 0 HD23 LEU A 37 37.245 23.846 30.076 1.00 0.00 H new ATOM 552 N LEU A 38 35.846 19.016 27.237 1.00 0.00 N ATOM 553 CA LEU A 38 35.974 17.623 26.771 1.00 0.00 C ATOM 554 C LEU A 38 34.639 16.909 26.449 1.00 0.00 C ATOM 555 O LEU A 38 33.582 17.440 26.800 1.00 0.00 O ATOM 556 CB LEU A 38 36.691 16.878 27.912 1.00 0.00 C ATOM 557 CG LEU A 38 38.140 17.274 28.168 1.00 0.00 C ATOM 558 CD1 LEU A 38 38.595 16.534 29.417 1.00 0.00 C ATOM 559 CD2 LEU A 38 38.932 16.871 26.947 1.00 0.00 C ATOM 0 H LEU A 38 34.998 19.155 27.787 1.00 0.00 H new ATOM 0 HA LEU A 38 36.514 17.623 25.824 1.00 0.00 H new ATOM 0 HB2 LEU A 38 36.126 17.034 28.831 1.00 0.00 H new ATOM 0 HB3 LEU A 38 36.661 15.810 27.696 1.00 0.00 H new ATOM 0 HG LEU A 38 38.274 18.343 28.332 1.00 0.00 H new ATOM 0 HD11 LEU A 38 39.631 16.791 29.635 1.00 0.00 H new ATOM 0 HD12 LEU A 38 37.965 16.820 30.259 1.00 0.00 H new ATOM 0 HD13 LEU A 38 38.515 15.459 29.253 1.00 0.00 H new ATOM 0 HD21 LEU A 38 39.979 17.137 27.088 1.00 0.00 H new ATOM 0 HD22 LEU A 38 38.848 15.794 26.798 1.00 0.00 H new ATOM 0 HD23 LEU A 38 38.541 17.390 26.072 1.00 0.00 H new ATOM 571 N PRO A 39 34.655 15.717 25.812 1.00 0.00 N ATOM 572 CA PRO A 39 33.446 14.938 25.510 1.00 0.00 C ATOM 573 C PRO A 39 32.928 14.090 26.695 1.00 0.00 C ATOM 574 O PRO A 39 33.561 14.064 27.771 1.00 0.00 O ATOM 575 CB PRO A 39 33.847 14.072 24.313 1.00 0.00 C ATOM 576 CG PRO A 39 35.313 13.757 24.596 1.00 0.00 C ATOM 577 CD PRO A 39 35.828 15.032 25.268 1.00 0.00 C ATOM 0 HA PRO A 39 32.603 15.595 25.296 1.00 0.00 H new ATOM 0 HB2 PRO A 39 33.244 13.166 24.250 1.00 0.00 H new ATOM 0 HB3 PRO A 39 33.723 14.604 23.370 1.00 0.00 H new ATOM 0 HG2 PRO A 39 35.419 12.889 25.247 1.00 0.00 H new ATOM 0 HG3 PRO A 39 35.861 13.537 23.680 1.00 0.00 H new ATOM 0 HD2 PRO A 39 36.540 14.794 26.059 1.00 0.00 H new ATOM 0 HD3 PRO A 39 36.349 15.666 24.550 1.00 0.00 H new TER 585 PRO A 39