USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 376 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 34 CYS SG : rot 8:sc= -24.7! USER MOD Set 1.2: A 40 CYS SG : rot 106:sc= -26.3! USER MOD Set 2.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 26 SER OG : rot 119:sc= 1.13 USER MOD Single : A 1 LEU N :NH3+ 170:sc= 0.145 (180deg=0.0998) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.146 F(o=-1.8,f=-0.15) USER MOD Single : A 4 ASN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 5 THR OG1 : rot -45:sc= 1.21 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.785 K(o=-0.79,f=-1.3) USER MOD Single : A 23 HIS :FLIP no HD1:sc= -0.573 F(o=-1.2,f=-0.57) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot -91:sc= 0.362 USER MOD Single : A 32 LYS NZ :NH3+ -130:sc= -0.5 (180deg=-0.539) USER MOD Single : A 33 SER OG : rot 37:sc= 1.15 USER MOD Single : A 37 GLN :FLIP amide:sc= -0.649 F(o=-1.7!,f=-0.65) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0705 K(o=-0.07,f=-6.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.655 -0.280 0.297 1.00 72.24 N ATOM 2 CA LEU A 1 1.974 -0.377 -1.123 1.00 45.45 C ATOM 3 C LEU A 1 2.630 -1.716 -1.444 1.00 70.04 C ATOM 4 O LEU A 1 2.894 -2.518 -0.549 1.00 71.22 O ATOM 5 CB LEU A 1 2.900 0.769 -1.537 1.00 11.01 C ATOM 6 CG LEU A 1 2.635 1.383 -2.912 1.00 13.31 C ATOM 7 CD1 LEU A 1 1.332 2.169 -2.903 1.00 63.55 C ATOM 8 CD2 LEU A 1 3.795 2.275 -3.330 1.00 74.14 C ATOM 0 H1 LEU A 1 1.368 0.694 0.523 1.00 72.24 H new ATOM 0 H2 LEU A 1 0.876 -0.931 0.523 1.00 72.24 H new ATOM 0 H3 LEU A 1 2.493 -0.534 0.859 1.00 72.24 H new ATOM 0 HA LEU A 1 1.043 -0.306 -1.685 1.00 45.45 H new ATOM 0 HB2 LEU A 1 2.826 1.558 -0.789 1.00 11.01 H new ATOM 0 HB3 LEU A 1 3.927 0.405 -1.516 1.00 11.01 H new ATOM 0 HG LEU A 1 2.544 0.575 -3.638 1.00 13.31 H new ATOM 0 HD11 LEU A 1 1.160 2.599 -3.890 1.00 63.55 H new ATOM 0 HD12 LEU A 1 0.507 1.503 -2.648 1.00 63.55 H new ATOM 0 HD13 LEU A 1 1.394 2.969 -2.165 1.00 63.55 H new ATOM 0 HD21 LEU A 1 3.589 2.704 -4.311 1.00 74.14 H new ATOM 0 HD22 LEU A 1 3.918 3.077 -2.602 1.00 74.14 H new ATOM 0 HD23 LEU A 1 4.710 1.684 -3.377 1.00 74.14 H new ATOM 20 N GLN A 2 2.891 -1.949 -2.727 1.00 23.05 N ATOM 21 CA GLN A 2 3.518 -3.191 -3.165 1.00 14.24 C ATOM 22 C GLN A 2 4.659 -2.911 -4.137 1.00 73.40 C ATOM 23 O GLN A 2 4.656 -1.901 -4.840 1.00 52.52 O ATOM 24 CB GLN A 2 2.482 -4.104 -3.823 1.00 63.04 C ATOM 25 CG GLN A 2 1.897 -5.141 -2.879 1.00 22.33 C ATOM 26 CD GLN A 2 1.029 -6.158 -3.594 1.00 11.24 C ATOM 27 OE1 GLN A 2 1.586 -6.800 -4.613 1.00 5.44 O flip ATOM 28 NE2 GLN A 2 -0.131 -6.364 -3.234 1.00 64.32 N flip ATOM 0 H GLN A 2 2.678 -1.295 -3.480 1.00 23.05 H new ATOM 0 HA GLN A 2 3.928 -3.692 -2.288 1.00 14.24 H new ATOM 0 HB2 GLN A 2 1.673 -3.492 -4.223 1.00 63.04 H new ATOM 0 HB3 GLN A 2 2.944 -4.614 -4.668 1.00 63.04 H new ATOM 0 HG2 GLN A 2 2.708 -5.658 -2.366 1.00 22.33 H new ATOM 0 HG3 GLN A 2 1.305 -4.638 -2.114 1.00 22.33 H new ATOM 0 HE21 GLN A 2 -0.519 -5.848 -2.445 1.00 64.32 H new ATOM 0 HE22 GLN A 2 -0.703 -7.051 -3.725 1.00 64.32 H new ATOM 37 N CYS A 3 5.634 -3.813 -4.172 1.00 20.32 N ATOM 38 CA CYS A 3 6.783 -3.664 -5.057 1.00 73.41 C ATOM 39 C CYS A 3 7.133 -4.993 -5.722 1.00 11.42 C ATOM 40 O CYS A 3 6.921 -6.060 -5.149 1.00 34.15 O ATOM 41 CB CYS A 3 7.989 -3.138 -4.277 1.00 42.02 C ATOM 42 SG CYS A 3 7.595 -1.789 -3.119 1.00 15.24 S ATOM 0 H CYS A 3 5.651 -4.655 -3.597 1.00 20.32 H new ATOM 0 HA CYS A 3 6.521 -2.946 -5.835 1.00 73.41 H new ATOM 0 HB2 CYS A 3 8.435 -3.962 -3.720 1.00 42.02 H new ATOM 0 HB3 CYS A 3 8.741 -2.787 -4.984 1.00 42.02 H new ATOM 47 N ASN A 4 7.671 -4.917 -6.935 1.00 21.23 N ATOM 48 CA ASN A 4 8.051 -6.113 -7.678 1.00 72.01 C ATOM 49 C ASN A 4 9.361 -6.689 -7.150 1.00 2.23 C ATOM 50 O ASN A 4 10.181 -5.972 -6.576 1.00 5.51 O ATOM 51 CB ASN A 4 8.186 -5.791 -9.168 1.00 21.32 C ATOM 52 CG ASN A 4 6.848 -5.501 -9.820 1.00 63.24 C ATOM 53 OD1 ASN A 4 6.271 -4.349 -9.500 1.00 50.24 O flip ATOM 54 ND2 ASN A 4 6.340 -6.304 -10.603 1.00 44.20 N flip ATOM 0 H ASN A 4 7.853 -4.041 -7.424 1.00 21.23 H new ATOM 0 HA ASN A 4 7.267 -6.858 -7.543 1.00 72.01 H new ATOM 0 HB2 ASN A 4 8.842 -4.930 -9.293 1.00 21.32 H new ATOM 0 HB3 ASN A 4 8.661 -6.630 -9.677 1.00 21.32 H new ATOM 0 HD21 ASN A 4 6.819 -7.178 -10.820 1.00 44.20 H new ATOM 0 HD22 ASN A 4 5.440 -6.095 -11.035 1.00 44.20 H new ATOM 61 N THR A 5 9.552 -7.990 -7.348 1.00 3.53 N ATOM 62 CA THR A 5 10.762 -8.662 -6.891 1.00 72.54 C ATOM 63 C THR A 5 11.521 -9.281 -8.060 1.00 10.13 C ATOM 64 O THR A 5 10.949 -9.535 -9.121 1.00 11.44 O ATOM 65 CB THR A 5 10.438 -9.763 -5.864 1.00 25.43 C ATOM 66 OG1 THR A 5 9.763 -10.850 -6.506 1.00 62.43 O ATOM 67 CG2 THR A 5 9.573 -9.216 -4.739 1.00 30.13 C ATOM 0 H THR A 5 8.884 -8.599 -7.822 1.00 3.53 H new ATOM 0 HA THR A 5 11.385 -7.904 -6.416 1.00 72.54 H new ATOM 0 HB THR A 5 11.376 -10.119 -5.439 1.00 25.43 H new ATOM 0 HG1 THR A 5 9.068 -10.498 -7.101 1.00 62.43 H new ATOM 0 HG21 THR A 5 9.357 -10.012 -4.026 1.00 30.13 H new ATOM 0 HG22 THR A 5 10.102 -8.409 -4.233 1.00 30.13 H new ATOM 0 HG23 THR A 5 8.639 -8.835 -5.151 1.00 30.13 H new ATOM 75 N LEU A 6 12.812 -9.522 -7.859 1.00 32.21 N ATOM 76 CA LEU A 6 13.650 -10.113 -8.896 1.00 42.45 C ATOM 77 C LEU A 6 13.226 -11.549 -9.188 1.00 3.44 C ATOM 78 O LEU A 6 13.501 -12.082 -10.263 1.00 13.50 O ATOM 79 CB LEU A 6 15.120 -10.079 -8.473 1.00 53.50 C ATOM 80 CG LEU A 6 15.570 -11.188 -7.522 1.00 1.11 C ATOM 81 CD1 LEU A 6 17.080 -11.156 -7.342 1.00 32.24 C ATOM 82 CD2 LEU A 6 14.868 -11.056 -6.178 1.00 73.34 C ATOM 0 H LEU A 6 13.301 -9.317 -6.988 1.00 32.21 H new ATOM 0 HA LEU A 6 13.526 -9.526 -9.806 1.00 42.45 H new ATOM 0 HB2 LEU A 6 15.737 -10.125 -9.371 1.00 53.50 H new ATOM 0 HB3 LEU A 6 15.319 -9.118 -7.999 1.00 53.50 H new ATOM 0 HG LEU A 6 15.297 -12.148 -7.959 1.00 1.11 H new ATOM 0 HD11 LEU A 6 17.382 -11.952 -6.662 1.00 32.24 H new ATOM 0 HD12 LEU A 6 17.565 -11.300 -8.308 1.00 32.24 H new ATOM 0 HD13 LEU A 6 17.377 -10.193 -6.927 1.00 32.24 H new ATOM 0 HD21 LEU A 6 15.201 -11.854 -5.514 1.00 73.34 H new ATOM 0 HD22 LEU A 6 15.110 -10.090 -5.734 1.00 73.34 H new ATOM 0 HD23 LEU A 6 13.790 -11.129 -6.322 1.00 73.34 H new ATOM 94 N ASP A 7 12.554 -12.168 -8.224 1.00 24.53 N ATOM 95 CA ASP A 7 12.089 -13.542 -8.378 1.00 1.04 C ATOM 96 C ASP A 7 10.850 -13.600 -9.265 1.00 52.43 C ATOM 97 O ASP A 7 10.359 -14.679 -9.594 1.00 13.32 O ATOM 98 CB ASP A 7 11.781 -14.155 -7.011 1.00 3.15 C ATOM 99 CG ASP A 7 11.949 -15.662 -7.000 1.00 45.45 C ATOM 100 OD1 ASP A 7 12.802 -16.168 -7.759 1.00 70.03 O ATOM 101 OD2 ASP A 7 11.228 -16.334 -6.234 1.00 71.44 O ATOM 0 H ASP A 7 12.319 -11.741 -7.328 1.00 24.53 H new ATOM 0 HA ASP A 7 12.883 -14.117 -8.855 1.00 1.04 H new ATOM 0 HB2 ASP A 7 12.439 -13.714 -6.262 1.00 3.15 H new ATOM 0 HB3 ASP A 7 10.759 -13.904 -6.726 1.00 3.15 H new ATOM 106 N GLY A 8 10.348 -12.430 -9.650 1.00 2.33 N ATOM 107 CA GLY A 8 9.170 -12.369 -10.495 1.00 31.44 C ATOM 108 C GLY A 8 7.888 -12.250 -9.694 1.00 41.53 C ATOM 109 O GLY A 8 6.815 -12.037 -10.256 1.00 53.24 O ATOM 0 H GLY A 8 10.737 -11.523 -9.391 1.00 2.33 H new ATOM 0 HA2 GLY A 8 9.254 -11.517 -11.169 1.00 31.44 H new ATOM 0 HA3 GLY A 8 9.125 -13.264 -11.116 1.00 31.44 H new ATOM 113 N GLY A 9 8.000 -12.388 -8.377 1.00 34.04 N ATOM 114 CA GLY A 9 6.833 -12.293 -7.519 1.00 54.33 C ATOM 115 C GLY A 9 6.604 -10.885 -7.006 1.00 31.03 C ATOM 116 O GLY A 9 7.376 -9.973 -7.304 1.00 71.25 O ATOM 0 H GLY A 9 8.878 -12.564 -7.888 1.00 34.04 H new ATOM 0 HA2 GLY A 9 5.953 -12.623 -8.070 1.00 54.33 H new ATOM 0 HA3 GLY A 9 6.952 -12.970 -6.673 1.00 54.33 H new ATOM 120 N THR A 10 5.538 -10.705 -6.231 1.00 44.01 N ATOM 121 CA THR A 10 5.208 -9.398 -5.677 1.00 42.03 C ATOM 122 C THR A 10 5.444 -9.363 -4.172 1.00 25.12 C ATOM 123 O THR A 10 5.231 -10.357 -3.478 1.00 45.03 O ATOM 124 CB THR A 10 3.743 -9.020 -5.964 1.00 73.24 C ATOM 125 OG1 THR A 10 2.901 -10.167 -5.803 1.00 15.12 O ATOM 126 CG2 THR A 10 3.592 -8.469 -7.374 1.00 42.31 C ATOM 0 H THR A 10 4.889 -11.448 -5.973 1.00 44.01 H new ATOM 0 HA THR A 10 5.864 -8.675 -6.162 1.00 42.03 H new ATOM 0 HB THR A 10 3.445 -8.248 -5.255 1.00 73.24 H new ATOM 0 HG1 THR A 10 1.971 -9.918 -5.986 1.00 15.12 H new ATOM 0 HG21 THR A 10 2.549 -8.209 -7.553 1.00 42.31 H new ATOM 0 HG22 THR A 10 4.212 -7.579 -7.485 1.00 42.31 H new ATOM 0 HG23 THR A 10 3.907 -9.223 -8.095 1.00 42.31 H new ATOM 134 N GLU A 11 5.885 -8.212 -3.673 1.00 22.40 N ATOM 135 CA GLU A 11 6.150 -8.050 -2.248 1.00 42.33 C ATOM 136 C GLU A 11 5.391 -6.850 -1.687 1.00 65.52 C ATOM 137 O GLU A 11 5.186 -5.854 -2.380 1.00 25.14 O ATOM 138 CB GLU A 11 7.651 -7.878 -2.002 1.00 74.43 C ATOM 139 CG GLU A 11 8.230 -6.621 -2.627 1.00 42.54 C ATOM 140 CD GLU A 11 9.467 -6.126 -1.903 1.00 41.21 C ATOM 141 OE1 GLU A 11 10.437 -6.904 -1.784 1.00 53.54 O ATOM 142 OE2 GLU A 11 9.465 -4.960 -1.455 1.00 50.12 O ATOM 0 H GLU A 11 6.066 -7.379 -4.234 1.00 22.40 H new ATOM 0 HA GLU A 11 5.806 -8.948 -1.736 1.00 42.33 H new ATOM 0 HB2 GLU A 11 7.834 -7.857 -0.928 1.00 74.43 H new ATOM 0 HB3 GLU A 11 8.177 -8.746 -2.398 1.00 74.43 H new ATOM 0 HG2 GLU A 11 8.479 -6.820 -3.669 1.00 42.54 H new ATOM 0 HG3 GLU A 11 7.473 -5.836 -2.624 1.00 42.54 H new ATOM 149 N GLU A 12 4.977 -6.956 -0.428 1.00 41.15 N ATOM 150 CA GLU A 12 4.240 -5.881 0.225 1.00 51.21 C ATOM 151 C GLU A 12 5.194 -4.891 0.888 1.00 61.43 C ATOM 152 O GLU A 12 5.898 -5.232 1.839 1.00 71.21 O ATOM 153 CB GLU A 12 3.276 -6.453 1.267 1.00 44.02 C ATOM 154 CG GLU A 12 2.303 -7.473 0.700 1.00 22.25 C ATOM 155 CD GLU A 12 1.454 -8.127 1.773 1.00 54.11 C ATOM 156 OE1 GLU A 12 0.832 -7.390 2.568 1.00 63.44 O ATOM 157 OE2 GLU A 12 1.410 -9.374 1.818 1.00 50.01 O ATOM 0 H GLU A 12 5.139 -7.774 0.159 1.00 41.15 H new ATOM 0 HA GLU A 12 3.668 -5.352 -0.537 1.00 51.21 H new ATOM 0 HB2 GLU A 12 3.853 -6.918 2.066 1.00 44.02 H new ATOM 0 HB3 GLU A 12 2.712 -5.635 1.715 1.00 44.02 H new ATOM 0 HG2 GLU A 12 1.652 -6.985 -0.026 1.00 22.25 H new ATOM 0 HG3 GLU A 12 2.859 -8.241 0.163 1.00 22.25 H new ATOM 164 N CYS A 13 5.212 -3.664 0.378 1.00 25.30 N ATOM 165 CA CYS A 13 6.080 -2.624 0.918 1.00 72.40 C ATOM 166 C CYS A 13 5.379 -1.858 2.036 1.00 51.43 C ATOM 167 O CYS A 13 4.316 -1.272 1.828 1.00 13.12 O ATOM 168 CB CYS A 13 6.504 -1.658 -0.190 1.00 73.42 C ATOM 169 SG CYS A 13 7.421 -2.446 -1.552 1.00 65.24 S ATOM 0 H CYS A 13 4.635 -3.365 -0.409 1.00 25.30 H new ATOM 0 HA CYS A 13 6.967 -3.104 1.331 1.00 72.40 H new ATOM 0 HB2 CYS A 13 5.615 -1.175 -0.596 1.00 73.42 H new ATOM 0 HB3 CYS A 13 7.123 -0.873 0.244 1.00 73.42 H new ATOM 174 N ILE A 14 5.982 -1.866 3.220 1.00 51.14 N ATOM 175 CA ILE A 14 5.417 -1.170 4.369 1.00 33.41 C ATOM 176 C ILE A 14 5.474 0.342 4.179 1.00 35.44 C ATOM 177 O ILE A 14 6.497 0.905 3.791 1.00 12.51 O ATOM 178 CB ILE A 14 6.153 -1.541 5.670 1.00 65.33 C ATOM 179 CG1 ILE A 14 6.127 -3.056 5.882 1.00 20.33 C ATOM 180 CG2 ILE A 14 5.528 -0.824 6.856 1.00 14.52 C ATOM 181 CD1 ILE A 14 7.076 -3.532 6.960 1.00 50.10 C ATOM 0 H ILE A 14 6.862 -2.347 3.409 1.00 51.14 H new ATOM 0 HA ILE A 14 4.376 -1.485 4.448 1.00 33.41 H new ATOM 0 HB ILE A 14 7.192 -1.223 5.585 1.00 65.33 H new ATOM 0 HG12 ILE A 14 5.113 -3.361 6.141 1.00 20.33 H new ATOM 0 HG13 ILE A 14 6.379 -3.550 4.944 1.00 20.33 H new ATOM 0 HG21 ILE A 14 6.060 -1.097 7.768 1.00 14.52 H new ATOM 0 HG22 ILE A 14 5.594 0.254 6.706 1.00 14.52 H new ATOM 0 HG23 ILE A 14 4.481 -1.114 6.946 1.00 14.52 H new ATOM 0 HD11 ILE A 14 7.004 -4.615 7.055 1.00 50.10 H new ATOM 0 HD12 ILE A 14 8.097 -3.258 6.693 1.00 50.10 H new ATOM 0 HD13 ILE A 14 6.812 -3.066 7.909 1.00 50.10 H new ATOM 193 N PRO A 15 4.349 1.016 4.461 1.00 32.00 N ATOM 194 CA PRO A 15 4.245 2.472 4.331 1.00 5.41 C ATOM 195 C PRO A 15 5.067 3.208 5.385 1.00 53.15 C ATOM 196 O PRO A 15 4.527 3.699 6.375 1.00 50.20 O ATOM 197 CB PRO A 15 2.752 2.742 4.533 1.00 22.43 C ATOM 198 CG PRO A 15 2.268 1.594 5.350 1.00 74.20 C ATOM 199 CD PRO A 15 3.091 0.409 4.928 1.00 24.55 C ATOM 0 HA PRO A 15 4.629 2.824 3.374 1.00 5.41 H new ATOM 0 HB2 PRO A 15 2.587 3.690 5.045 1.00 22.43 H new ATOM 0 HB3 PRO A 15 2.227 2.799 3.579 1.00 22.43 H new ATOM 0 HG2 PRO A 15 2.389 1.794 6.415 1.00 74.20 H new ATOM 0 HG3 PRO A 15 1.207 1.413 5.179 1.00 74.20 H new ATOM 0 HD2 PRO A 15 3.260 -0.278 5.757 1.00 24.55 H new ATOM 0 HD3 PRO A 15 2.601 -0.159 4.137 1.00 24.55 H new ATOM 207 N GLY A 16 6.376 3.281 5.164 1.00 71.34 N ATOM 208 CA GLY A 16 7.250 3.959 6.103 1.00 62.43 C ATOM 209 C GLY A 16 8.709 3.603 5.897 1.00 23.32 C ATOM 210 O GLY A 16 9.559 4.486 5.776 1.00 61.41 O ATOM 0 H GLY A 16 6.847 2.883 4.351 1.00 71.34 H new ATOM 0 HA2 GLY A 16 7.124 5.037 5.999 1.00 62.43 H new ATOM 0 HA3 GLY A 16 6.956 3.700 7.120 1.00 62.43 H new ATOM 214 N ILE A 17 9.001 2.307 5.860 1.00 71.04 N ATOM 215 CA ILE A 17 10.367 1.837 5.668 1.00 4.31 C ATOM 216 C ILE A 17 10.784 1.941 4.205 1.00 5.11 C ATOM 217 O ILE A 17 11.959 2.147 3.896 1.00 34.25 O ATOM 218 CB ILE A 17 10.532 0.379 6.135 1.00 60.11 C ATOM 219 CG1 ILE A 17 9.927 0.195 7.528 1.00 32.11 C ATOM 220 CG2 ILE A 17 12.002 -0.015 6.134 1.00 75.04 C ATOM 221 CD1 ILE A 17 10.000 -1.228 8.036 1.00 62.13 C ATOM 0 H ILE A 17 8.309 1.564 5.961 1.00 71.04 H new ATOM 0 HA ILE A 17 11.009 2.478 6.272 1.00 4.31 H new ATOM 0 HB ILE A 17 10.001 -0.271 5.440 1.00 60.11 H new ATOM 0 HG12 ILE A 17 10.445 0.849 8.229 1.00 32.11 H new ATOM 0 HG13 ILE A 17 8.884 0.512 7.507 1.00 32.11 H new ATOM 0 HG21 ILE A 17 12.102 -1.048 6.466 1.00 75.04 H new ATOM 0 HG22 ILE A 17 12.404 0.082 5.126 1.00 75.04 H new ATOM 0 HG23 ILE A 17 12.554 0.638 6.809 1.00 75.04 H new ATOM 0 HD11 ILE A 17 9.553 -1.283 9.028 1.00 62.13 H new ATOM 0 HD12 ILE A 17 9.458 -1.885 7.356 1.00 62.13 H new ATOM 0 HD13 ILE A 17 11.042 -1.542 8.090 1.00 62.13 H new ATOM 233 N TYR A 18 9.815 1.799 3.308 1.00 42.30 N ATOM 234 CA TYR A 18 10.081 1.877 1.876 1.00 24.45 C ATOM 235 C TYR A 18 9.133 2.861 1.198 1.00 4.15 C ATOM 236 O TYR A 18 7.919 2.662 1.186 1.00 44.41 O ATOM 237 CB TYR A 18 9.943 0.495 1.236 1.00 63.45 C ATOM 238 CG TYR A 18 10.591 -0.612 2.037 1.00 51.02 C ATOM 239 CD1 TYR A 18 11.925 -0.533 2.415 1.00 24.40 C ATOM 240 CD2 TYR A 18 9.867 -1.736 2.417 1.00 45.13 C ATOM 241 CE1 TYR A 18 12.521 -1.543 3.146 1.00 2.44 C ATOM 242 CE2 TYR A 18 10.455 -2.749 3.149 1.00 34.35 C ATOM 243 CZ TYR A 18 11.782 -2.648 3.511 1.00 33.25 C ATOM 244 OH TYR A 18 12.371 -3.655 4.241 1.00 1.13 O ATOM 0 H TYR A 18 8.838 1.629 3.547 1.00 42.30 H new ATOM 0 HA TYR A 18 11.102 2.233 1.740 1.00 24.45 H new ATOM 0 HB2 TYR A 18 8.885 0.267 1.108 1.00 63.45 H new ATOM 0 HB3 TYR A 18 10.387 0.519 0.241 1.00 63.45 H new ATOM 0 HD1 TYR A 18 12.506 0.332 2.133 1.00 24.40 H new ATOM 0 HD2 TYR A 18 8.828 -1.819 2.135 1.00 45.13 H new ATOM 0 HE1 TYR A 18 13.560 -1.467 3.430 1.00 2.44 H new ATOM 0 HE2 TYR A 18 9.879 -3.616 3.436 1.00 34.35 H new ATOM 0 HH TYR A 18 11.713 -4.360 4.416 1.00 1.13 H new ATOM 254 N ASN A 19 9.699 3.924 0.635 1.00 75.33 N ATOM 255 CA ASN A 19 8.905 4.941 -0.046 1.00 70.51 C ATOM 256 C ASN A 19 9.301 5.046 -1.516 1.00 4.34 C ATOM 257 O ASN A 19 8.619 5.695 -2.309 1.00 3.33 O ATOM 258 CB ASN A 19 9.079 6.297 0.640 1.00 44.13 C ATOM 259 CG ASN A 19 10.346 7.007 0.203 1.00 42.12 C ATOM 260 OD1 ASN A 19 10.336 7.792 -0.746 1.00 34.41 O ATOM 261 ND2 ASN A 19 11.446 6.734 0.895 1.00 1.00 N ATOM 0 H ASN A 19 10.703 4.103 0.637 1.00 75.33 H new ATOM 0 HA ASN A 19 7.857 4.646 0.009 1.00 70.51 H new ATOM 0 HB2 ASN A 19 8.218 6.927 0.418 1.00 44.13 H new ATOM 0 HB3 ASN A 19 9.100 6.155 1.720 1.00 44.13 H new ATOM 0 HD21 ASN A 19 12.329 7.181 0.647 1.00 1.00 H new ATOM 0 HD22 ASN A 19 11.408 6.077 1.674 1.00 1.00 H new ATOM 268 N VAL A 20 10.409 4.403 -1.872 1.00 11.21 N ATOM 269 CA VAL A 20 10.896 4.423 -3.246 1.00 71.00 C ATOM 270 C VAL A 20 10.873 3.027 -3.857 1.00 73.45 C ATOM 271 O VAL A 20 10.586 2.043 -3.175 1.00 21.41 O ATOM 272 CB VAL A 20 12.329 4.983 -3.326 1.00 34.43 C ATOM 273 CG1 VAL A 20 12.356 6.443 -2.902 1.00 11.21 C ATOM 274 CG2 VAL A 20 13.273 4.153 -2.469 1.00 72.41 C ATOM 0 H VAL A 20 10.986 3.862 -1.228 1.00 11.21 H new ATOM 0 HA VAL A 20 10.228 5.074 -3.809 1.00 71.00 H new ATOM 0 HB VAL A 20 12.667 4.924 -4.361 1.00 34.43 H new ATOM 0 HG11 VAL A 20 13.376 6.821 -2.965 1.00 11.21 H new ATOM 0 HG12 VAL A 20 11.712 7.025 -3.561 1.00 11.21 H new ATOM 0 HG13 VAL A 20 11.999 6.531 -1.876 1.00 11.21 H new ATOM 0 HG21 VAL A 20 14.281 4.562 -2.537 1.00 72.41 H new ATOM 0 HG22 VAL A 20 12.940 4.179 -1.431 1.00 72.41 H new ATOM 0 HG23 VAL A 20 13.275 3.122 -2.824 1.00 72.41 H new ATOM 284 N CYS A 21 11.177 2.947 -5.149 1.00 13.04 N ATOM 285 CA CYS A 21 11.191 1.671 -5.854 1.00 42.30 C ATOM 286 C CYS A 21 12.016 1.767 -7.134 1.00 50.13 C ATOM 287 O CYS A 21 11.963 2.770 -7.846 1.00 71.15 O ATOM 288 CB CYS A 21 9.764 1.232 -6.186 1.00 32.35 C ATOM 289 SG CYS A 21 8.723 2.552 -6.887 1.00 10.24 S ATOM 0 H CYS A 21 11.417 3.751 -5.729 1.00 13.04 H new ATOM 0 HA CYS A 21 11.649 0.928 -5.201 1.00 42.30 H new ATOM 0 HB2 CYS A 21 9.806 0.403 -6.893 1.00 32.35 H new ATOM 0 HB3 CYS A 21 9.291 0.854 -5.279 1.00 32.35 H new ATOM 294 N VAL A 22 12.778 0.716 -7.421 1.00 1.22 N ATOM 295 CA VAL A 22 13.613 0.680 -8.615 1.00 42.44 C ATOM 296 C VAL A 22 13.442 -0.635 -9.366 1.00 63.41 C ATOM 297 O VAL A 22 13.364 -1.704 -8.759 1.00 13.35 O ATOM 298 CB VAL A 22 15.101 0.870 -8.266 1.00 22.11 C ATOM 299 CG1 VAL A 22 15.985 0.295 -9.362 1.00 72.52 C ATOM 300 CG2 VAL A 22 15.411 2.342 -8.037 1.00 62.44 C ATOM 0 H VAL A 22 12.834 -0.122 -6.842 1.00 1.22 H new ATOM 0 HA VAL A 22 13.289 1.503 -9.252 1.00 42.44 H new ATOM 0 HB VAL A 22 15.311 0.330 -7.343 1.00 22.11 H new ATOM 0 HG11 VAL A 22 17.033 0.439 -9.097 1.00 72.52 H new ATOM 0 HG12 VAL A 22 15.781 -0.770 -9.472 1.00 72.52 H new ATOM 0 HG13 VAL A 22 15.775 0.804 -10.303 1.00 72.52 H new ATOM 0 HG21 VAL A 22 16.467 2.458 -7.791 1.00 62.44 H new ATOM 0 HG22 VAL A 22 15.185 2.906 -8.942 1.00 62.44 H new ATOM 0 HG23 VAL A 22 14.804 2.718 -7.214 1.00 62.44 H new ATOM 310 N HIS A 23 13.386 -0.551 -10.692 1.00 31.35 N ATOM 311 CA HIS A 23 13.225 -1.736 -11.527 1.00 24.33 C ATOM 312 C HIS A 23 14.333 -1.818 -12.573 1.00 53.41 C ATOM 313 O HIS A 23 14.396 -0.997 -13.489 1.00 62.20 O ATOM 314 CB HIS A 23 11.859 -1.721 -12.213 1.00 62.21 C ATOM 315 CG HIS A 23 11.682 -2.817 -13.219 1.00 0.22 C ATOM 316 ND1 HIS A 23 12.300 -4.015 -13.341 1.00 54.50 N flip ATOM 317 CD2 HIS A 23 10.779 -2.746 -14.258 1.00 43.31 C flip ATOM 318 CE1 HIS A 23 11.764 -4.639 -14.440 1.00 44.11 C flip ATOM 319 NE2 HIS A 23 10.847 -3.853 -14.975 1.00 33.50 N flip ATOM 0 H HIS A 23 13.450 0.325 -11.211 1.00 31.35 H new ATOM 0 HA HIS A 23 13.290 -2.614 -10.885 1.00 24.33 H new ATOM 0 HB2 HIS A 23 11.080 -1.805 -11.455 1.00 62.21 H new ATOM 0 HB3 HIS A 23 11.720 -0.759 -12.707 1.00 62.21 H new ATOM 0 HD2 HIS A 23 10.119 -1.914 -14.455 1.00 43.31 H new ATOM 0 HE1 HIS A 23 12.046 -5.614 -14.808 1.00 44.11 H new ATOM 0 HE2 HIS A 23 10.287 -4.065 -15.801 1.00 33.50 H new ATOM 327 N TYR A 24 15.203 -2.811 -12.430 1.00 41.31 N ATOM 328 CA TYR A 24 16.310 -2.997 -13.361 1.00 11.00 C ATOM 329 C TYR A 24 16.014 -4.129 -14.340 1.00 20.55 C ATOM 330 O TYR A 24 15.885 -5.289 -13.946 1.00 12.12 O ATOM 331 CB TYR A 24 17.602 -3.292 -12.597 1.00 71.34 C ATOM 332 CG TYR A 24 18.836 -3.288 -13.471 1.00 30.50 C ATOM 333 CD1 TYR A 24 19.082 -4.325 -14.363 1.00 45.11 C ATOM 334 CD2 TYR A 24 19.756 -2.249 -13.404 1.00 32.42 C ATOM 335 CE1 TYR A 24 20.209 -4.326 -15.163 1.00 30.21 C ATOM 336 CE2 TYR A 24 20.884 -2.242 -14.201 1.00 1.33 C ATOM 337 CZ TYR A 24 21.106 -3.282 -15.078 1.00 64.24 C ATOM 338 OH TYR A 24 22.230 -3.279 -15.873 1.00 11.11 O ATOM 0 H TYR A 24 15.163 -3.500 -11.679 1.00 41.31 H new ATOM 0 HA TYR A 24 16.434 -2.074 -13.928 1.00 11.00 H new ATOM 0 HB2 TYR A 24 17.724 -2.551 -11.807 1.00 71.34 H new ATOM 0 HB3 TYR A 24 17.514 -4.264 -12.112 1.00 71.34 H new ATOM 0 HD1 TYR A 24 18.381 -5.144 -14.432 1.00 45.11 H new ATOM 0 HD2 TYR A 24 19.586 -1.433 -12.717 1.00 32.42 H new ATOM 0 HE1 TYR A 24 20.386 -5.140 -15.851 1.00 30.21 H new ATOM 0 HE2 TYR A 24 21.588 -1.426 -14.137 1.00 1.33 H new ATOM 0 HH TYR A 24 22.757 -2.473 -15.691 1.00 11.11 H new ATOM 348 N LYS A 25 15.908 -3.785 -15.618 1.00 44.14 N ATOM 349 CA LYS A 25 15.630 -4.770 -16.656 1.00 71.43 C ATOM 350 C LYS A 25 16.658 -4.683 -17.779 1.00 62.15 C ATOM 351 O LYS A 25 16.745 -3.673 -18.477 1.00 42.31 O ATOM 352 CB LYS A 25 14.223 -4.562 -17.221 1.00 71.54 C ATOM 353 CG LYS A 25 13.932 -5.403 -18.453 1.00 13.33 C ATOM 354 CD LYS A 25 13.998 -6.889 -18.142 1.00 54.32 C ATOM 355 CE LYS A 25 13.853 -7.728 -19.402 1.00 72.41 C ATOM 356 NZ LYS A 25 12.443 -7.774 -19.879 1.00 50.35 N ATOM 0 H LYS A 25 16.011 -2.830 -15.961 1.00 44.14 H new ATOM 0 HA LYS A 25 15.692 -5.761 -16.207 1.00 71.43 H new ATOM 0 HB2 LYS A 25 13.492 -4.799 -16.448 1.00 71.54 H new ATOM 0 HB3 LYS A 25 14.093 -3.509 -17.471 1.00 71.54 H new ATOM 0 HG2 LYS A 25 12.943 -5.155 -18.839 1.00 13.33 H new ATOM 0 HG3 LYS A 25 14.650 -5.162 -19.237 1.00 13.33 H new ATOM 0 HD2 LYS A 25 14.947 -7.119 -17.658 1.00 54.32 H new ATOM 0 HD3 LYS A 25 13.209 -7.150 -17.437 1.00 54.32 H new ATOM 0 HE2 LYS A 25 14.489 -7.318 -20.187 1.00 72.41 H new ATOM 0 HE3 LYS A 25 14.203 -8.741 -19.206 1.00 72.41 H new ATOM 0 HZ1 LYS A 25 12.386 -8.355 -20.739 1.00 50.35 H new ATOM 0 HZ2 LYS A 25 11.840 -8.189 -19.140 1.00 50.35 H new ATOM 0 HZ3 LYS A 25 12.117 -6.810 -20.091 1.00 50.35 H new ATOM 370 N SER A 26 17.434 -5.749 -17.949 1.00 43.23 N ATOM 371 CA SER A 26 18.458 -5.791 -18.987 1.00 23.24 C ATOM 372 C SER A 26 18.403 -7.110 -19.751 1.00 74.23 C ATOM 373 O SER A 26 17.836 -8.092 -19.274 1.00 74.51 O ATOM 374 CB SER A 26 19.846 -5.604 -18.371 1.00 1.12 C ATOM 375 OG SER A 26 20.085 -4.243 -18.056 1.00 41.14 O ATOM 0 H SER A 26 17.373 -6.595 -17.382 1.00 43.23 H new ATOM 0 HA SER A 26 18.265 -4.977 -19.686 1.00 23.24 H new ATOM 0 HB2 SER A 26 19.932 -6.210 -17.469 1.00 1.12 H new ATOM 0 HB3 SER A 26 20.607 -5.959 -19.066 1.00 1.12 H new ATOM 0 HG SER A 26 20.226 -4.151 -17.091 1.00 41.14 H new ATOM 381 N GLU A 27 18.996 -7.123 -20.941 1.00 54.21 N ATOM 382 CA GLU A 27 19.013 -8.321 -21.773 1.00 11.44 C ATOM 383 C GLU A 27 20.013 -9.341 -21.236 1.00 75.11 C ATOM 384 O GLU A 27 19.992 -10.509 -21.624 1.00 34.44 O ATOM 385 CB GLU A 27 19.362 -7.960 -23.218 1.00 53.21 C ATOM 386 CG GLU A 27 18.603 -6.753 -23.744 1.00 45.22 C ATOM 387 CD GLU A 27 17.111 -7.001 -23.848 1.00 62.21 C ATOM 388 OE1 GLU A 27 16.401 -6.770 -22.847 1.00 52.12 O ATOM 389 OE2 GLU A 27 16.654 -7.427 -24.929 1.00 51.33 O ATOM 0 H GLU A 27 19.471 -6.318 -21.350 1.00 54.21 H new ATOM 0 HA GLU A 27 18.018 -8.765 -21.748 1.00 11.44 H new ATOM 0 HB2 GLU A 27 20.432 -7.764 -23.286 1.00 53.21 H new ATOM 0 HB3 GLU A 27 19.154 -8.817 -23.858 1.00 53.21 H new ATOM 0 HG2 GLU A 27 18.781 -5.902 -23.086 1.00 45.22 H new ATOM 0 HG3 GLU A 27 18.992 -6.484 -24.726 1.00 45.22 H new ATOM 396 N ASP A 28 20.887 -8.891 -20.343 1.00 52.30 N ATOM 397 CA ASP A 28 21.895 -9.764 -19.752 1.00 54.52 C ATOM 398 C ASP A 28 21.501 -10.167 -18.335 1.00 14.13 C ATOM 399 O ASP A 28 21.929 -11.206 -17.834 1.00 10.13 O ATOM 400 CB ASP A 28 23.257 -9.068 -19.738 1.00 30.41 C ATOM 401 CG ASP A 28 24.400 -10.028 -20.006 1.00 35.23 C ATOM 402 OD1 ASP A 28 24.287 -11.208 -19.612 1.00 44.12 O ATOM 403 OD2 ASP A 28 25.406 -9.600 -20.608 1.00 42.51 O ATOM 0 H ASP A 28 20.918 -7.927 -20.012 1.00 52.30 H new ATOM 0 HA ASP A 28 21.962 -10.666 -20.361 1.00 54.52 H new ATOM 0 HB2 ASP A 28 23.266 -8.278 -20.489 1.00 30.41 H new ATOM 0 HB3 ASP A 28 23.407 -8.589 -18.770 1.00 30.41 H new ATOM 408 N GLU A 29 20.683 -9.337 -17.694 1.00 41.02 N ATOM 409 CA GLU A 29 20.234 -9.607 -16.334 1.00 34.23 C ATOM 410 C GLU A 29 18.967 -8.819 -16.012 1.00 70.15 C ATOM 411 O GLU A 29 18.604 -7.889 -16.732 1.00 33.32 O ATOM 412 CB GLU A 29 21.334 -9.256 -15.330 1.00 60.21 C ATOM 413 CG GLU A 29 21.580 -7.763 -15.194 1.00 31.01 C ATOM 414 CD GLU A 29 22.826 -7.448 -14.390 1.00 1.15 C ATOM 415 OE1 GLU A 29 22.987 -8.024 -13.293 1.00 52.23 O ATOM 416 OE2 GLU A 29 23.641 -6.625 -14.857 1.00 70.02 O ATOM 0 H GLU A 29 20.318 -8.473 -18.095 1.00 41.02 H new ATOM 0 HA GLU A 29 20.009 -10.671 -16.259 1.00 34.23 H new ATOM 0 HB2 GLU A 29 21.067 -9.662 -14.354 1.00 60.21 H new ATOM 0 HB3 GLU A 29 22.261 -9.742 -15.635 1.00 60.21 H new ATOM 0 HG2 GLU A 29 21.671 -7.322 -16.187 1.00 31.01 H new ATOM 0 HG3 GLU A 29 20.717 -7.298 -14.717 1.00 31.01 H new ATOM 423 N GLU A 30 18.300 -9.199 -14.927 1.00 74.34 N ATOM 424 CA GLU A 30 17.073 -8.529 -14.512 1.00 71.20 C ATOM 425 C GLU A 30 16.821 -8.730 -13.020 1.00 64.44 C ATOM 426 O GLU A 30 16.763 -9.861 -12.537 1.00 23.24 O ATOM 427 CB GLU A 30 15.882 -9.053 -15.317 1.00 34.24 C ATOM 428 CG GLU A 30 14.576 -8.342 -15.003 1.00 73.44 C ATOM 429 CD GLU A 30 13.380 -9.001 -15.664 1.00 41.43 C ATOM 430 OE1 GLU A 30 13.589 -9.853 -16.553 1.00 21.11 O ATOM 431 OE2 GLU A 30 12.236 -8.664 -15.294 1.00 4.52 O ATOM 0 H GLU A 30 18.588 -9.966 -14.320 1.00 74.34 H new ATOM 0 HA GLU A 30 17.190 -7.462 -14.703 1.00 71.20 H new ATOM 0 HB2 GLU A 30 16.098 -8.947 -16.380 1.00 34.24 H new ATOM 0 HB3 GLU A 30 15.762 -10.119 -15.121 1.00 34.24 H new ATOM 0 HG2 GLU A 30 14.426 -8.325 -13.923 1.00 73.44 H new ATOM 0 HG3 GLU A 30 14.643 -7.305 -15.332 1.00 73.44 H new ATOM 438 N TYR A 31 16.673 -7.626 -12.297 1.00 65.14 N ATOM 439 CA TYR A 31 16.431 -7.680 -10.861 1.00 3.14 C ATOM 440 C TYR A 31 15.743 -6.408 -10.376 1.00 52.40 C ATOM 441 O TYR A 31 15.743 -5.386 -11.064 1.00 22.34 O ATOM 442 CB TYR A 31 17.748 -7.879 -10.107 1.00 74.34 C ATOM 443 CG TYR A 31 18.736 -6.752 -10.306 1.00 74.10 C ATOM 444 CD1 TYR A 31 18.596 -5.551 -9.621 1.00 71.12 C ATOM 445 CD2 TYR A 31 19.808 -6.887 -11.179 1.00 31.41 C ATOM 446 CE1 TYR A 31 19.496 -4.518 -9.800 1.00 34.11 C ATOM 447 CE2 TYR A 31 20.713 -5.860 -11.363 1.00 23.42 C ATOM 448 CZ TYR A 31 20.553 -4.678 -10.671 1.00 52.33 C ATOM 449 OH TYR A 31 21.452 -3.652 -10.853 1.00 12.22 O ATOM 0 H TYR A 31 16.716 -6.683 -12.682 1.00 65.14 H new ATOM 0 HA TYR A 31 15.774 -8.526 -10.661 1.00 3.14 H new ATOM 0 HB2 TYR A 31 17.536 -7.981 -9.043 1.00 74.34 H new ATOM 0 HB3 TYR A 31 18.205 -8.814 -10.432 1.00 74.34 H new ATOM 0 HD1 TYR A 31 17.770 -5.423 -8.937 1.00 71.12 H new ATOM 0 HD2 TYR A 31 19.936 -7.811 -11.723 1.00 31.41 H new ATOM 0 HE1 TYR A 31 19.372 -3.590 -9.261 1.00 34.11 H new ATOM 0 HE2 TYR A 31 21.541 -5.982 -12.045 1.00 23.42 H new ATOM 0 HH TYR A 31 21.158 -3.088 -11.599 1.00 12.22 H new ATOM 459 N LYS A 32 15.156 -6.477 -9.186 1.00 10.10 N ATOM 460 CA LYS A 32 14.465 -5.332 -8.605 1.00 54.14 C ATOM 461 C LYS A 32 14.751 -5.224 -7.111 1.00 43.52 C ATOM 462 O LYS A 32 14.692 -6.215 -6.385 1.00 30.44 O ATOM 463 CB LYS A 32 12.957 -5.449 -8.839 1.00 54.50 C ATOM 464 CG LYS A 32 12.539 -5.161 -10.271 1.00 11.12 C ATOM 465 CD LYS A 32 11.450 -6.113 -10.736 1.00 12.12 C ATOM 466 CE LYS A 32 11.989 -7.520 -10.940 1.00 25.33 C ATOM 467 NZ LYS A 32 12.781 -7.634 -12.196 1.00 31.20 N ATOM 0 H LYS A 32 15.145 -7.315 -8.604 1.00 10.10 H new ATOM 0 HA LYS A 32 14.834 -4.430 -9.093 1.00 54.14 H new ATOM 0 HB2 LYS A 32 12.633 -6.454 -8.570 1.00 54.50 H new ATOM 0 HB3 LYS A 32 12.440 -4.759 -8.173 1.00 54.50 H new ATOM 0 HG2 LYS A 32 12.183 -4.134 -10.347 1.00 11.12 H new ATOM 0 HG3 LYS A 32 13.404 -5.248 -10.928 1.00 11.12 H new ATOM 0 HD2 LYS A 32 10.645 -6.134 -10.001 1.00 12.12 H new ATOM 0 HD3 LYS A 32 11.020 -5.748 -11.669 1.00 12.12 H new ATOM 0 HE2 LYS A 32 12.614 -7.796 -10.091 1.00 25.33 H new ATOM 0 HE3 LYS A 32 11.159 -8.226 -10.969 1.00 25.33 H new ATOM 0 HZ1 LYS A 32 12.448 -8.454 -12.743 1.00 31.20 H new ATOM 0 HZ2 LYS A 32 12.662 -6.769 -12.761 1.00 31.20 H new ATOM 0 HZ3 LYS A 32 13.787 -7.759 -11.962 1.00 31.20 H new ATOM 481 N SER A 33 15.061 -4.013 -6.659 1.00 12.41 N ATOM 482 CA SER A 33 15.359 -3.775 -5.251 1.00 72.43 C ATOM 483 C SER A 33 15.364 -2.282 -4.941 1.00 52.43 C ATOM 484 O SER A 33 15.778 -1.466 -5.765 1.00 41.24 O ATOM 485 CB SER A 33 16.712 -4.389 -4.884 1.00 54.53 C ATOM 486 OG SER A 33 16.582 -5.767 -4.583 1.00 33.04 O ATOM 0 H SER A 33 15.112 -3.181 -7.247 1.00 12.41 H new ATOM 0 HA SER A 33 14.579 -4.249 -4.655 1.00 72.43 H new ATOM 0 HB2 SER A 33 17.410 -4.259 -5.711 1.00 54.53 H new ATOM 0 HB3 SER A 33 17.132 -3.864 -4.026 1.00 54.53 H new ATOM 0 HG SER A 33 15.908 -6.168 -5.171 1.00 33.04 H new ATOM 492 N CYS A 34 14.900 -1.930 -3.747 1.00 21.24 N ATOM 493 CA CYS A 34 14.850 -0.535 -3.325 1.00 75.53 C ATOM 494 C CYS A 34 14.259 -0.412 -1.924 1.00 14.41 C ATOM 495 O CYS A 34 14.091 -1.406 -1.219 1.00 60.12 O ATOM 496 CB CYS A 34 14.022 0.288 -4.314 1.00 41.12 C ATOM 497 SG CYS A 34 14.770 1.889 -4.757 1.00 14.35 S ATOM 0 H CYS A 34 14.553 -2.592 -3.053 1.00 21.24 H new ATOM 0 HA CYS A 34 15.869 -0.150 -3.305 1.00 75.53 H new ATOM 0 HB2 CYS A 34 13.875 -0.296 -5.222 1.00 41.12 H new ATOM 0 HB3 CYS A 34 13.035 0.466 -3.886 1.00 41.12 H new ATOM 0 HG CYS A 34 15.971 1.958 -4.265 1.00 14.35 H new ATOM 502 N GLY A 35 13.944 0.818 -1.526 1.00 64.24 N ATOM 503 CA GLY A 35 13.376 1.050 -0.212 1.00 33.34 C ATOM 504 C GLY A 35 13.330 2.521 0.149 1.00 2.21 C ATOM 505 O GLY A 35 12.279 3.157 0.059 1.00 23.33 O ATOM 0 H GLY A 35 14.073 1.657 -2.091 1.00 64.24 H new ATOM 0 HA2 GLY A 35 12.367 0.639 -0.178 1.00 33.34 H new ATOM 0 HA3 GLY A 35 13.963 0.514 0.534 1.00 33.34 H new ATOM 509 N ILE A 36 14.472 3.064 0.560 1.00 75.34 N ATOM 510 CA ILE A 36 14.557 4.469 0.936 1.00 51.43 C ATOM 511 C ILE A 36 15.345 5.268 -0.097 1.00 73.13 C ATOM 512 O ILE A 36 16.384 4.820 -0.580 1.00 42.24 O ATOM 513 CB ILE A 36 15.218 4.644 2.316 1.00 72.22 C ATOM 514 CG1 ILE A 36 16.443 3.735 2.437 1.00 33.05 C ATOM 515 CG2 ILE A 36 14.218 4.346 3.423 1.00 21.42 C ATOM 516 CD1 ILE A 36 17.178 3.885 3.751 1.00 62.13 C ATOM 0 H ILE A 36 15.350 2.552 0.641 1.00 75.34 H new ATOM 0 HA ILE A 36 13.535 4.845 0.981 1.00 51.43 H new ATOM 0 HB ILE A 36 15.545 5.679 2.418 1.00 72.22 H new ATOM 0 HG12 ILE A 36 16.129 2.698 2.322 1.00 33.05 H new ATOM 0 HG13 ILE A 36 17.129 3.953 1.619 1.00 33.05 H new ATOM 0 HG21 ILE A 36 14.700 4.474 4.392 1.00 21.42 H new ATOM 0 HG22 ILE A 36 13.373 5.030 3.344 1.00 21.42 H new ATOM 0 HG23 ILE A 36 13.864 3.320 3.327 1.00 21.42 H new ATOM 0 HD11 ILE A 36 18.035 3.211 3.768 1.00 62.13 H new ATOM 0 HD12 ILE A 36 17.523 4.913 3.860 1.00 62.13 H new ATOM 0 HD13 ILE A 36 16.507 3.639 4.574 1.00 62.13 H new ATOM 528 N GLN A 37 14.843 6.453 -0.430 1.00 33.15 N ATOM 529 CA GLN A 37 15.501 7.315 -1.405 1.00 32.54 C ATOM 530 C GLN A 37 16.978 7.489 -1.067 1.00 51.24 C ATOM 531 O GLN A 37 17.812 7.653 -1.957 1.00 74.04 O ATOM 532 CB GLN A 37 14.813 8.680 -1.457 1.00 35.41 C ATOM 533 CG GLN A 37 15.228 9.525 -2.650 1.00 5.33 C ATOM 534 CD GLN A 37 14.178 9.551 -3.742 1.00 34.40 C ATOM 535 OE1 GLN A 37 14.042 8.441 -4.459 1.00 51.25 O flip ATOM 536 NE2 GLN A 37 13.495 10.556 -3.939 1.00 40.32 N flip ATOM 0 H GLN A 37 13.983 6.838 -0.039 1.00 33.15 H new ATOM 0 HA GLN A 37 15.424 6.840 -2.383 1.00 32.54 H new ATOM 0 HB2 GLN A 37 13.733 8.533 -1.485 1.00 35.41 H new ATOM 0 HB3 GLN A 37 15.037 9.226 -0.540 1.00 35.41 H new ATOM 0 HG2 GLN A 37 15.425 10.544 -2.317 1.00 5.33 H new ATOM 0 HG3 GLN A 37 16.161 9.137 -3.058 1.00 5.33 H new ATOM 0 HE21 GLN A 37 13.633 11.387 -3.364 1.00 40.32 H new ATOM 0 HE22 GLN A 37 12.791 10.558 -4.677 1.00 40.32 H new ATOM 545 N GLU A 38 17.293 7.453 0.224 1.00 45.45 N ATOM 546 CA GLU A 38 18.671 7.609 0.677 1.00 15.21 C ATOM 547 C GLU A 38 19.548 6.476 0.153 1.00 35.42 C ATOM 548 O GLU A 38 20.700 6.691 -0.221 1.00 12.33 O ATOM 549 CB GLU A 38 18.726 7.647 2.206 1.00 62.02 C ATOM 550 CG GLU A 38 18.288 8.976 2.798 1.00 30.22 C ATOM 551 CD GLU A 38 18.383 9.000 4.311 1.00 21.33 C ATOM 552 OE1 GLU A 38 17.393 8.624 4.973 1.00 12.24 O ATOM 553 OE2 GLU A 38 19.447 9.394 4.833 1.00 33.34 O ATOM 0 H GLU A 38 16.614 7.317 0.973 1.00 45.45 H new ATOM 0 HA GLU A 38 19.052 8.551 0.283 1.00 15.21 H new ATOM 0 HB2 GLU A 38 18.092 6.855 2.604 1.00 62.02 H new ATOM 0 HB3 GLU A 38 19.744 7.433 2.530 1.00 62.02 H new ATOM 0 HG2 GLU A 38 18.906 9.774 2.386 1.00 30.22 H new ATOM 0 HG3 GLU A 38 17.260 9.182 2.499 1.00 30.22 H new ATOM 560 N GLU A 39 18.992 5.268 0.130 1.00 24.13 N ATOM 561 CA GLU A 39 19.724 4.100 -0.346 1.00 45.32 C ATOM 562 C GLU A 39 19.617 3.973 -1.863 1.00 64.21 C ATOM 563 O GLU A 39 20.603 3.689 -2.545 1.00 32.22 O ATOM 564 CB GLU A 39 19.194 2.830 0.322 1.00 12.21 C ATOM 565 CG GLU A 39 19.649 2.664 1.762 1.00 2.41 C ATOM 566 CD GLU A 39 19.089 1.413 2.411 1.00 45.24 C ATOM 567 OE1 GLU A 39 18.056 0.905 1.927 1.00 1.35 O ATOM 568 OE2 GLU A 39 19.686 0.942 3.402 1.00 73.23 O ATOM 0 H GLU A 39 18.038 5.073 0.435 1.00 24.13 H new ATOM 0 HA GLU A 39 20.774 4.229 -0.082 1.00 45.32 H new ATOM 0 HB2 GLU A 39 18.104 2.842 0.293 1.00 12.21 H new ATOM 0 HB3 GLU A 39 19.518 1.964 -0.255 1.00 12.21 H new ATOM 0 HG2 GLU A 39 20.738 2.628 1.793 1.00 2.41 H new ATOM 0 HG3 GLU A 39 19.342 3.536 2.339 1.00 2.41 H new ATOM 575 N CYS A 40 18.414 4.184 -2.385 1.00 51.22 N ATOM 576 CA CYS A 40 18.176 4.092 -3.820 1.00 54.45 C ATOM 577 C CYS A 40 19.002 5.129 -4.576 1.00 71.15 C ATOM 578 O CYS A 40 19.507 4.859 -5.666 1.00 12.53 O ATOM 579 CB CYS A 40 16.689 4.288 -4.125 1.00 41.23 C ATOM 580 SG CYS A 40 15.844 2.781 -4.703 1.00 12.41 S ATOM 0 H CYS A 40 17.588 4.420 -1.835 1.00 51.22 H new ATOM 0 HA CYS A 40 18.481 3.099 -4.151 1.00 54.45 H new ATOM 0 HB2 CYS A 40 16.189 4.650 -3.226 1.00 41.23 H new ATOM 0 HB3 CYS A 40 16.584 5.064 -4.883 1.00 41.23 H new ATOM 0 HG CYS A 40 15.082 2.320 -3.756 1.00 12.41 H new ATOM 585 N GLU A 41 19.135 6.314 -3.990 1.00 12.35 N ATOM 586 CA GLU A 41 19.899 7.391 -4.608 1.00 63.13 C ATOM 587 C GLU A 41 21.343 6.961 -4.855 1.00 13.35 C ATOM 588 O GLU A 41 22.026 7.511 -5.719 1.00 22.52 O ATOM 589 CB GLU A 41 19.871 8.640 -3.724 1.00 70.35 C ATOM 590 CG GLU A 41 20.679 9.799 -4.283 1.00 22.12 C ATOM 591 CD GLU A 41 22.111 9.806 -3.784 1.00 21.43 C ATOM 592 OE1 GLU A 41 22.335 9.420 -2.617 1.00 43.44 O ATOM 593 OE2 GLU A 41 23.008 10.196 -4.561 1.00 14.23 O ATOM 0 H GLU A 41 18.724 6.553 -3.088 1.00 12.35 H new ATOM 0 HA GLU A 41 19.438 7.624 -5.568 1.00 63.13 H new ATOM 0 HB2 GLU A 41 18.837 8.959 -3.593 1.00 70.35 H new ATOM 0 HB3 GLU A 41 20.254 8.384 -2.736 1.00 70.35 H new ATOM 0 HG2 GLU A 41 20.678 9.746 -5.372 1.00 22.12 H new ATOM 0 HG3 GLU A 41 20.198 10.738 -4.009 1.00 22.12 H new ATOM 600 N ASP A 42 21.799 5.977 -4.089 1.00 24.25 N ATOM 601 CA ASP A 42 23.161 5.472 -4.223 1.00 1.31 C ATOM 602 C ASP A 42 23.467 5.114 -5.674 1.00 2.32 C ATOM 603 O ASP A 42 24.612 5.204 -6.117 1.00 74.13 O ATOM 604 CB ASP A 42 23.365 4.248 -3.329 1.00 13.34 C ATOM 605 CG ASP A 42 24.831 3.932 -3.106 1.00 35.34 C ATOM 606 OD1 ASP A 42 25.424 4.502 -2.167 1.00 0.22 O ATOM 607 OD2 ASP A 42 25.384 3.114 -3.870 1.00 44.24 O ATOM 0 H ASP A 42 21.246 5.513 -3.369 1.00 24.25 H new ATOM 0 HA ASP A 42 23.846 6.259 -3.909 1.00 1.31 H new ATOM 0 HB2 ASP A 42 22.883 4.420 -2.367 1.00 13.34 H new ATOM 0 HB3 ASP A 42 22.875 3.386 -3.781 1.00 13.34 H new ATOM 612 N ALA A 43 22.437 4.707 -6.408 1.00 14.43 N ATOM 613 CA ALA A 43 22.595 4.337 -7.808 1.00 63.34 C ATOM 614 C ALA A 43 22.933 5.553 -8.663 1.00 52.45 C ATOM 615 O ALA A 43 22.045 6.193 -9.226 1.00 13.35 O ATOM 616 CB ALA A 43 21.332 3.662 -8.322 1.00 41.12 C ATOM 0 H ALA A 43 21.483 4.625 -6.055 1.00 14.43 H new ATOM 0 HA ALA A 43 23.424 3.633 -7.880 1.00 63.34 H new ATOM 0 HB1 ALA A 43 21.465 3.391 -9.369 1.00 41.12 H new ATOM 0 HB2 ALA A 43 21.136 2.764 -7.737 1.00 41.12 H new ATOM 0 HB3 ALA A 43 20.489 4.347 -8.228 1.00 41.12 H new ATOM 622 N GLU A 44 24.221 5.867 -8.756 1.00 63.11 N ATOM 623 CA GLU A 44 24.674 7.009 -9.542 1.00 24.30 C ATOM 624 C GLU A 44 24.595 6.707 -11.036 1.00 21.23 C ATOM 625 O GLU A 44 24.778 5.567 -11.460 1.00 70.23 O ATOM 626 CB GLU A 44 26.109 7.381 -9.161 1.00 52.22 C ATOM 627 CG GLU A 44 26.300 7.626 -7.674 1.00 33.33 C ATOM 628 CD GLU A 44 27.712 8.058 -7.330 1.00 51.01 C ATOM 629 OE1 GLU A 44 28.652 7.615 -8.022 1.00 63.41 O ATOM 630 OE2 GLU A 44 27.877 8.839 -6.370 1.00 31.11 O ATOM 0 H GLU A 44 24.969 5.347 -8.297 1.00 63.11 H new ATOM 0 HA GLU A 44 24.017 7.851 -9.324 1.00 24.30 H new ATOM 0 HB2 GLU A 44 26.779 6.582 -9.478 1.00 52.22 H new ATOM 0 HB3 GLU A 44 26.401 8.277 -9.709 1.00 52.22 H new ATOM 0 HG2 GLU A 44 25.599 8.392 -7.343 1.00 33.33 H new ATOM 0 HG3 GLU A 44 26.059 6.715 -7.126 1.00 33.33 H new ATOM 637 N GLY A 45 24.320 7.738 -11.828 1.00 43.54 N ATOM 638 CA GLY A 45 24.221 7.564 -13.266 1.00 33.24 C ATOM 639 C GLY A 45 22.784 7.514 -13.745 1.00 74.43 C ATOM 640 O GLY A 45 22.455 8.058 -14.799 1.00 34.22 O ATOM 0 H GLY A 45 24.164 8.691 -11.500 1.00 43.54 H new ATOM 0 HA2 GLY A 45 24.739 8.383 -13.765 1.00 33.24 H new ATOM 0 HA3 GLY A 45 24.729 6.644 -13.554 1.00 33.24 H new ATOM 644 N ALA A 46 21.926 6.857 -12.971 1.00 53.22 N ATOM 645 CA ALA A 46 20.516 6.738 -13.323 1.00 1.21 C ATOM 646 C ALA A 46 19.630 7.385 -12.264 1.00 54.43 C ATOM 647 O ALA A 46 19.973 7.411 -11.082 1.00 23.31 O ATOM 648 CB ALA A 46 20.140 5.275 -13.507 1.00 12.52 C ATOM 0 H ALA A 46 22.183 6.399 -12.096 1.00 53.22 H new ATOM 0 HA ALA A 46 20.356 7.264 -14.264 1.00 1.21 H new ATOM 0 HB1 ALA A 46 19.085 5.201 -13.769 1.00 12.52 H new ATOM 0 HB2 ALA A 46 20.744 4.842 -14.304 1.00 12.52 H new ATOM 0 HB3 ALA A 46 20.322 4.733 -12.579 1.00 12.52 H new ATOM 654 N THR A 47 18.486 7.909 -12.696 1.00 5.31 N ATOM 655 CA THR A 47 17.551 8.558 -11.786 1.00 5.43 C ATOM 656 C THR A 47 16.545 7.559 -11.226 1.00 43.33 C ATOM 657 O THR A 47 16.079 6.668 -11.937 1.00 3.34 O ATOM 658 CB THR A 47 16.790 9.701 -12.484 1.00 34.23 C ATOM 659 OG1 THR A 47 16.017 10.432 -11.525 1.00 4.21 O ATOM 660 CG2 THR A 47 15.875 9.156 -13.570 1.00 55.42 C ATOM 0 H THR A 47 18.186 7.896 -13.671 1.00 5.31 H new ATOM 0 HA THR A 47 18.141 8.971 -10.968 1.00 5.43 H new ATOM 0 HB THR A 47 17.520 10.366 -12.945 1.00 34.23 H new ATOM 0 HG1 THR A 47 15.538 11.158 -11.976 1.00 4.21 H new ATOM 0 HG21 THR A 47 15.348 9.981 -14.049 1.00 55.42 H new ATOM 0 HG22 THR A 47 16.469 8.624 -14.313 1.00 55.42 H new ATOM 0 HG23 THR A 47 15.152 8.472 -13.127 1.00 55.42 H new ATOM 668 N VAL A 48 16.213 7.713 -9.948 1.00 41.44 N ATOM 669 CA VAL A 48 15.260 6.825 -9.294 1.00 10.22 C ATOM 670 C VAL A 48 13.898 7.494 -9.145 1.00 41.11 C ATOM 671 O VAL A 48 13.770 8.526 -8.484 1.00 74.42 O ATOM 672 CB VAL A 48 15.761 6.391 -7.904 1.00 30.14 C ATOM 673 CG1 VAL A 48 14.740 5.490 -7.226 1.00 23.44 C ATOM 674 CG2 VAL A 48 17.108 5.694 -8.017 1.00 62.41 C ATOM 0 H VAL A 48 16.590 8.444 -9.345 1.00 41.44 H new ATOM 0 HA VAL A 48 15.161 5.944 -9.928 1.00 10.22 H new ATOM 0 HB VAL A 48 15.889 7.282 -7.289 1.00 30.14 H new ATOM 0 HG11 VAL A 48 15.111 5.193 -6.245 1.00 23.44 H new ATOM 0 HG12 VAL A 48 13.799 6.029 -7.110 1.00 23.44 H new ATOM 0 HG13 VAL A 48 14.577 4.602 -7.836 1.00 23.44 H new ATOM 0 HG21 VAL A 48 17.447 5.394 -7.025 1.00 62.41 H new ATOM 0 HG22 VAL A 48 17.009 4.811 -8.649 1.00 62.41 H new ATOM 0 HG23 VAL A 48 17.835 6.376 -8.458 1.00 62.41 H new ATOM 684 N LEU A 49 12.883 6.901 -9.763 1.00 61.52 N ATOM 685 CA LEU A 49 11.529 7.438 -9.700 1.00 14.34 C ATOM 686 C LEU A 49 10.537 6.366 -9.258 1.00 42.43 C ATOM 687 O LEU A 49 10.583 5.230 -9.731 1.00 45.30 O ATOM 688 CB LEU A 49 11.117 8.000 -11.062 1.00 21.23 C ATOM 689 CG LEU A 49 9.633 8.325 -11.233 1.00 71.02 C ATOM 690 CD1 LEU A 49 9.457 9.627 -12.000 1.00 34.44 C ATOM 691 CD2 LEU A 49 8.916 7.185 -11.942 1.00 14.31 C ATOM 0 H LEU A 49 12.972 6.047 -10.314 1.00 61.52 H new ATOM 0 HA LEU A 49 11.518 8.242 -8.964 1.00 14.34 H new ATOM 0 HB2 LEU A 49 11.691 8.908 -11.247 1.00 21.23 H new ATOM 0 HB3 LEU A 49 11.402 7.281 -11.830 1.00 21.23 H new ATOM 0 HG LEU A 49 9.191 8.447 -10.244 1.00 71.02 H new ATOM 0 HD11 LEU A 49 8.394 9.842 -12.112 1.00 34.44 H new ATOM 0 HD12 LEU A 49 9.936 10.439 -11.453 1.00 34.44 H new ATOM 0 HD13 LEU A 49 9.914 9.534 -12.985 1.00 34.44 H new ATOM 0 HD21 LEU A 49 7.861 7.433 -12.055 1.00 14.31 H new ATOM 0 HD22 LEU A 49 9.360 7.032 -12.925 1.00 14.31 H new ATOM 0 HD23 LEU A 49 9.013 6.272 -11.354 1.00 14.31 H new ATOM 703 N CYS A 50 9.640 6.736 -8.351 1.00 33.43 N ATOM 704 CA CYS A 50 8.635 5.807 -7.846 1.00 42.21 C ATOM 705 C CYS A 50 7.230 6.372 -8.033 1.00 71.24 C ATOM 706 O CYS A 50 7.026 7.586 -7.994 1.00 31.52 O ATOM 707 CB CYS A 50 8.884 5.509 -6.366 1.00 72.02 C ATOM 708 SG CYS A 50 8.176 3.930 -5.797 1.00 21.11 S ATOM 0 H CYS A 50 9.588 7.672 -7.950 1.00 33.43 H new ATOM 0 HA CYS A 50 8.714 4.880 -8.415 1.00 42.21 H new ATOM 0 HB2 CYS A 50 9.959 5.500 -6.184 1.00 72.02 H new ATOM 0 HB3 CYS A 50 8.466 6.319 -5.768 1.00 72.02 H new ATOM 713 N CYS A 51 6.264 5.483 -8.237 1.00 74.32 N ATOM 714 CA CYS A 51 4.877 5.890 -8.431 1.00 3.31 C ATOM 715 C CYS A 51 4.076 5.724 -7.143 1.00 4.13 C ATOM 716 O CYS A 51 4.365 4.865 -6.309 1.00 42.31 O ATOM 717 CB CYS A 51 4.235 5.072 -9.553 1.00 22.22 C ATOM 718 SG CYS A 51 5.371 4.661 -10.917 1.00 34.43 S ATOM 0 H CYS A 51 6.416 4.475 -8.272 1.00 74.32 H new ATOM 0 HA CYS A 51 4.870 6.944 -8.709 1.00 3.31 H new ATOM 0 HB2 CYS A 51 3.839 4.147 -9.133 1.00 22.22 H new ATOM 0 HB3 CYS A 51 3.388 5.628 -9.955 1.00 22.22 H new ATOM 723 N PRO A 52 3.045 6.565 -6.975 1.00 30.03 N ATOM 724 CA PRO A 52 2.180 6.531 -5.791 1.00 65.13 C ATOM 725 C PRO A 52 1.299 5.287 -5.753 1.00 25.24 C ATOM 726 O PRO A 52 0.634 5.018 -4.753 1.00 53.23 O ATOM 727 CB PRO A 52 1.322 7.789 -5.943 1.00 3.34 C ATOM 728 CG PRO A 52 1.306 8.063 -7.407 1.00 34.31 C ATOM 729 CD PRO A 52 2.643 7.613 -7.927 1.00 50.43 C ATOM 0 HA PRO A 52 2.756 6.500 -4.866 1.00 65.13 H new ATOM 0 HB2 PRO A 52 0.314 7.629 -5.559 1.00 3.34 H new ATOM 0 HB3 PRO A 52 1.746 8.626 -5.388 1.00 3.34 H new ATOM 0 HG2 PRO A 52 0.495 7.523 -7.896 1.00 34.31 H new ATOM 0 HG3 PRO A 52 1.147 9.123 -7.604 1.00 34.31 H new ATOM 0 HD2 PRO A 52 2.569 7.226 -8.943 1.00 50.43 H new ATOM 0 HD3 PRO A 52 3.362 8.432 -7.950 1.00 50.43 H new ATOM 737 N GLU A 53 1.301 4.532 -6.847 1.00 25.54 N ATOM 738 CA GLU A 53 0.501 3.316 -6.936 1.00 63.22 C ATOM 739 C GLU A 53 1.309 2.099 -6.493 1.00 52.14 C ATOM 740 O GLU A 53 2.467 2.221 -6.093 1.00 15.31 O ATOM 741 CB GLU A 53 -0.002 3.114 -8.367 1.00 12.30 C ATOM 742 CG GLU A 53 -1.203 3.977 -8.717 1.00 31.12 C ATOM 743 CD GLU A 53 -1.071 4.638 -10.075 1.00 4.31 C ATOM 744 OE1 GLU A 53 -0.121 5.429 -10.259 1.00 34.30 O ATOM 745 OE2 GLU A 53 -1.916 4.366 -10.953 1.00 25.00 O ATOM 0 H GLU A 53 1.847 4.741 -7.683 1.00 25.54 H new ATOM 0 HA GLU A 53 -0.354 3.425 -6.269 1.00 63.22 H new ATOM 0 HB2 GLU A 53 0.808 3.334 -9.062 1.00 12.30 H new ATOM 0 HB3 GLU A 53 -0.266 2.066 -8.506 1.00 12.30 H new ATOM 0 HG2 GLU A 53 -2.103 3.363 -8.702 1.00 31.12 H new ATOM 0 HG3 GLU A 53 -1.328 4.745 -7.954 1.00 31.12 H new ATOM 752 N ASP A 54 0.689 0.926 -6.568 1.00 2.40 N ATOM 753 CA ASP A 54 1.349 -0.313 -6.176 1.00 23.43 C ATOM 754 C ASP A 54 1.962 -1.010 -7.387 1.00 12.21 C ATOM 755 O ASP A 54 1.431 -0.932 -8.496 1.00 11.44 O ATOM 756 CB ASP A 54 0.356 -1.248 -5.483 1.00 2.22 C ATOM 757 CG ASP A 54 -0.976 -1.314 -6.203 1.00 61.04 C ATOM 758 OD1 ASP A 54 -1.101 -2.123 -7.147 1.00 31.34 O ATOM 759 OD2 ASP A 54 -1.894 -0.557 -5.824 1.00 23.32 O ATOM 0 H ASP A 54 -0.269 0.808 -6.897 1.00 2.40 H new ATOM 0 HA ASP A 54 2.149 -0.064 -5.479 1.00 23.43 H new ATOM 0 HB2 ASP A 54 0.784 -2.249 -5.424 1.00 2.22 H new ATOM 0 HB3 ASP A 54 0.196 -0.909 -4.459 1.00 2.22 H new ATOM 764 N LEU A 55 3.082 -1.689 -7.168 1.00 70.52 N ATOM 765 CA LEU A 55 3.768 -2.399 -8.242 1.00 62.41 C ATOM 766 C LEU A 55 4.136 -1.448 -9.376 1.00 53.31 C ATOM 767 O LEU A 55 3.646 -1.583 -10.498 1.00 24.20 O ATOM 768 CB LEU A 55 2.888 -3.531 -8.776 1.00 22.12 C ATOM 769 CG LEU A 55 2.509 -4.618 -7.769 1.00 51.04 C ATOM 770 CD1 LEU A 55 1.749 -5.741 -8.458 1.00 22.22 C ATOM 771 CD2 LEU A 55 3.750 -5.159 -7.075 1.00 44.31 C ATOM 0 H LEU A 55 3.535 -1.763 -6.257 1.00 70.52 H new ATOM 0 HA LEU A 55 4.686 -2.822 -7.835 1.00 62.41 H new ATOM 0 HB2 LEU A 55 1.971 -3.095 -9.173 1.00 22.12 H new ATOM 0 HB3 LEU A 55 3.404 -4.002 -9.612 1.00 22.12 H new ATOM 0 HG LEU A 55 1.859 -4.176 -7.014 1.00 51.04 H new ATOM 0 HD11 LEU A 55 1.487 -6.506 -7.726 1.00 22.22 H new ATOM 0 HD12 LEU A 55 0.839 -5.342 -8.907 1.00 22.22 H new ATOM 0 HD13 LEU A 55 2.375 -6.181 -9.235 1.00 22.22 H new ATOM 0 HD21 LEU A 55 3.461 -5.931 -6.362 1.00 44.31 H new ATOM 0 HD22 LEU A 55 4.425 -5.585 -7.817 1.00 44.31 H new ATOM 0 HD23 LEU A 55 4.254 -4.349 -6.548 1.00 44.31 H new ATOM 783 N CYS A 56 5.002 -0.486 -9.077 1.00 1.42 N ATOM 784 CA CYS A 56 5.438 0.488 -10.070 1.00 55.24 C ATOM 785 C CYS A 56 6.806 0.116 -10.633 1.00 42.05 C ATOM 786 O CYS A 56 7.190 0.571 -11.710 1.00 62.31 O ATOM 787 CB CYS A 56 5.491 1.888 -9.454 1.00 73.34 C ATOM 788 SG CYS A 56 6.029 3.189 -10.610 1.00 71.12 S ATOM 0 H CYS A 56 5.416 -0.360 -8.153 1.00 1.42 H new ATOM 0 HA CYS A 56 4.716 0.485 -10.886 1.00 55.24 H new ATOM 0 HB2 CYS A 56 4.503 2.143 -9.072 1.00 73.34 H new ATOM 0 HB3 CYS A 56 6.169 1.872 -8.600 1.00 73.34 H new ATOM 793 N ASN A 57 7.537 -0.714 -9.897 1.00 30.42 N ATOM 794 CA ASN A 57 8.863 -1.148 -10.322 1.00 10.10 C ATOM 795 C ASN A 57 8.867 -2.636 -10.660 1.00 14.24 C ATOM 796 O ASN A 57 8.095 -3.093 -11.503 1.00 2.52 O ATOM 797 CB ASN A 57 9.892 -0.859 -9.227 1.00 61.51 C ATOM 798 CG ASN A 57 9.753 -1.795 -8.042 1.00 30.22 C ATOM 799 OD1 ASN A 57 8.660 -1.975 -7.504 1.00 24.40 O ATOM 800 ND2 ASN A 57 10.863 -2.396 -7.629 1.00 1.20 N ATOM 0 H ASN A 57 7.234 -1.100 -9.003 1.00 30.42 H new ATOM 0 HA ASN A 57 9.130 -0.590 -11.219 1.00 10.10 H new ATOM 0 HB2 ASN A 57 10.896 -0.950 -9.642 1.00 61.51 H new ATOM 0 HB3 ASN A 57 9.779 0.171 -8.888 1.00 61.51 H new ATOM 0 HD21 ASN A 57 10.831 -3.037 -6.836 1.00 1.20 H new ATOM 0 HD22 ASN A 57 11.747 -2.217 -8.105 1.00 1.20 H new TER 807 ASN A 57