USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=13 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 -4:sc= -24.7! USER MOD Set 1.2: A 40 CYS SG : rot 162:sc= -28.9! USER MOD Set 2.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 26 SER OG : rot 89:sc= 1.31 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.323 X(o=-0.32,f=0) USER MOD Single : A 4 ASN :FLIP amide:sc= -0.509 F(o=-1.8,f=-0.51) USER MOD Single : A 5 THR OG1 : rot -32:sc= 1.09 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= -0.251 K(o=-0.25,f=-1.6) USER MOD Single : A 23 HIS : no HD1:sc= -1.83 X(o=-1.8,f=-1.6) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot -93:sc= 0.542 USER MOD Single : A 32 LYS NZ :NH3+ -144:sc= -0.754 (180deg=-3.32!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN :FLIP amide:sc= -2.01 F(o=-2.6!,f=-2) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.23 K(o=-1.2,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 0.908 -0.305 -0.331 1.00 63.40 N ATOM 2 CA LEU A 1 1.902 -0.270 -1.398 1.00 40.35 C ATOM 3 C LEU A 1 2.539 -1.642 -1.596 1.00 11.43 C ATOM 4 O LEU A 1 2.836 -2.343 -0.629 1.00 13.32 O ATOM 5 CB LEU A 1 2.982 0.766 -1.082 1.00 3.01 C ATOM 6 CG LEU A 1 3.285 1.779 -2.187 1.00 24.14 C ATOM 7 CD1 LEU A 1 3.959 1.096 -3.367 1.00 34.11 C ATOM 8 CD2 LEU A 1 2.011 2.481 -2.631 1.00 15.34 C ATOM 0 H1 LEU A 1 0.489 0.640 -0.216 1.00 63.40 H new ATOM 0 H2 LEU A 1 0.162 -0.987 -0.574 1.00 63.40 H new ATOM 0 H3 LEU A 1 1.364 -0.593 0.559 1.00 63.40 H new ATOM 0 HA LEU A 1 1.397 0.011 -2.322 1.00 40.35 H new ATOM 0 HB2 LEU A 1 2.682 1.313 -0.188 1.00 3.01 H new ATOM 0 HB3 LEU A 1 3.904 0.238 -0.838 1.00 3.01 H new ATOM 0 HG LEU A 1 3.969 2.529 -1.789 1.00 24.14 H new ATOM 0 HD11 LEU A 1 4.167 1.832 -4.143 1.00 34.11 H new ATOM 0 HD12 LEU A 1 4.893 0.641 -3.039 1.00 34.11 H new ATOM 0 HD13 LEU A 1 3.300 0.325 -3.766 1.00 34.11 H new ATOM 0 HD21 LEU A 1 2.246 3.198 -3.418 1.00 15.34 H new ATOM 0 HD22 LEU A 1 1.303 1.744 -3.011 1.00 15.34 H new ATOM 0 HD23 LEU A 1 1.570 3.004 -1.783 1.00 15.34 H new ATOM 20 N GLN A 2 2.747 -2.016 -2.854 1.00 24.13 N ATOM 21 CA GLN A 2 3.351 -3.304 -3.177 1.00 12.41 C ATOM 22 C GLN A 2 4.569 -3.123 -4.077 1.00 21.45 C ATOM 23 O GLN A 2 4.640 -2.178 -4.862 1.00 14.40 O ATOM 24 CB GLN A 2 2.328 -4.213 -3.860 1.00 32.02 C ATOM 25 CG GLN A 2 1.225 -4.694 -2.930 1.00 63.24 C ATOM 26 CD GLN A 2 0.254 -5.635 -3.615 1.00 53.13 C ATOM 27 OE1 GLN A 2 -0.963 -5.472 -3.514 1.00 5.25 O ATOM 28 NE2 GLN A 2 0.786 -6.627 -4.319 1.00 24.11 N ATOM 0 H GLN A 2 2.507 -1.447 -3.666 1.00 24.13 H new ATOM 0 HA GLN A 2 3.676 -3.769 -2.246 1.00 12.41 H new ATOM 0 HB2 GLN A 2 1.879 -3.677 -4.696 1.00 32.02 H new ATOM 0 HB3 GLN A 2 2.844 -5.078 -4.276 1.00 32.02 H new ATOM 0 HG2 GLN A 2 1.672 -5.199 -2.073 1.00 63.24 H new ATOM 0 HG3 GLN A 2 0.679 -3.833 -2.544 1.00 63.24 H new ATOM 0 HE21 GLN A 2 1.800 -6.725 -4.376 1.00 24.11 H new ATOM 0 HE22 GLN A 2 0.181 -7.291 -4.803 1.00 24.11 H new ATOM 37 N CYS A 3 5.527 -4.036 -3.956 1.00 62.25 N ATOM 38 CA CYS A 3 6.744 -3.978 -4.758 1.00 32.43 C ATOM 39 C CYS A 3 7.047 -5.336 -5.386 1.00 14.14 C ATOM 40 O CYS A 3 6.815 -6.379 -4.776 1.00 1.24 O ATOM 41 CB CYS A 3 7.925 -3.528 -3.897 1.00 5.52 C ATOM 42 SG CYS A 3 7.524 -2.193 -2.723 1.00 61.14 S ATOM 0 H CYS A 3 5.484 -4.825 -3.311 1.00 62.25 H new ATOM 0 HA CYS A 3 6.588 -3.254 -5.558 1.00 32.43 H new ATOM 0 HB2 CYS A 3 8.302 -4.386 -3.340 1.00 5.52 H new ATOM 0 HB3 CYS A 3 8.730 -3.193 -4.551 1.00 5.52 H new ATOM 47 N ASN A 4 7.566 -5.313 -6.609 1.00 31.21 N ATOM 48 CA ASN A 4 7.900 -6.542 -7.320 1.00 43.31 C ATOM 49 C ASN A 4 9.233 -7.105 -6.836 1.00 40.11 C ATOM 50 O ASN A 4 9.999 -6.421 -6.155 1.00 72.55 O ATOM 51 CB ASN A 4 7.960 -6.283 -8.827 1.00 22.11 C ATOM 52 CG ASN A 4 6.628 -5.826 -9.389 1.00 32.15 C ATOM 53 OD1 ASN A 4 6.307 -4.553 -9.189 1.00 54.34 O flip ATOM 54 ND2 ASN A 4 5.896 -6.609 -9.994 1.00 44.24 N flip ATOM 0 H ASN A 4 7.764 -4.458 -7.128 1.00 31.21 H new ATOM 0 HA ASN A 4 7.120 -7.275 -7.115 1.00 43.31 H new ATOM 0 HB2 ASN A 4 8.717 -5.526 -9.033 1.00 22.11 H new ATOM 0 HB3 ASN A 4 8.273 -7.194 -9.337 1.00 22.11 H new ATOM 0 HD21 ASN A 4 6.184 -7.579 -10.124 1.00 44.24 H new ATOM 0 HD22 ASN A 4 5.002 -6.288 -10.365 1.00 44.24 H new ATOM 61 N THR A 5 9.505 -8.357 -7.192 1.00 51.44 N ATOM 62 CA THR A 5 10.744 -9.013 -6.795 1.00 1.53 C ATOM 63 C THR A 5 11.452 -9.627 -7.997 1.00 54.42 C ATOM 64 O THR A 5 10.826 -9.914 -9.019 1.00 30.04 O ATOM 65 CB THR A 5 10.486 -10.113 -5.748 1.00 4.20 C ATOM 66 OG1 THR A 5 9.600 -11.101 -6.284 1.00 74.01 O ATOM 67 CG2 THR A 5 9.889 -9.523 -4.479 1.00 24.40 C ATOM 0 H THR A 5 8.883 -8.937 -7.755 1.00 51.44 H new ATOM 0 HA THR A 5 11.381 -8.245 -6.356 1.00 1.53 H new ATOM 0 HB THR A 5 11.440 -10.578 -5.499 1.00 4.20 H new ATOM 0 HG1 THR A 5 8.974 -10.676 -6.907 1.00 74.01 H new ATOM 0 HG21 THR A 5 9.716 -10.319 -3.754 1.00 24.40 H new ATOM 0 HG22 THR A 5 10.580 -8.793 -4.057 1.00 24.40 H new ATOM 0 HG23 THR A 5 8.944 -9.034 -4.715 1.00 24.40 H new ATOM 75 N LEU A 6 12.759 -9.826 -7.870 1.00 73.30 N ATOM 76 CA LEU A 6 13.552 -10.408 -8.947 1.00 42.12 C ATOM 77 C LEU A 6 13.140 -11.853 -9.208 1.00 21.11 C ATOM 78 O LEU A 6 13.424 -12.408 -10.270 1.00 34.03 O ATOM 79 CB LEU A 6 15.041 -10.345 -8.602 1.00 1.41 C ATOM 80 CG LEU A 6 15.561 -11.438 -7.668 1.00 34.03 C ATOM 81 CD1 LEU A 6 17.075 -11.367 -7.554 1.00 24.34 C ATOM 82 CD2 LEU A 6 14.914 -11.318 -6.295 1.00 62.43 C ATOM 0 H LEU A 6 13.292 -9.593 -7.032 1.00 73.30 H new ATOM 0 HA LEU A 6 13.370 -9.829 -9.852 1.00 42.12 H new ATOM 0 HB2 LEU A 6 15.611 -10.387 -9.530 1.00 1.41 H new ATOM 0 HB3 LEU A 6 15.247 -9.377 -8.146 1.00 1.41 H new ATOM 0 HG LEU A 6 15.295 -12.407 -8.090 1.00 34.03 H new ATOM 0 HD11 LEU A 6 17.427 -12.153 -6.885 1.00 24.34 H new ATOM 0 HD12 LEU A 6 17.521 -11.503 -8.539 1.00 24.34 H new ATOM 0 HD13 LEU A 6 17.365 -10.395 -7.156 1.00 24.34 H new ATOM 0 HD21 LEU A 6 15.296 -12.104 -5.643 1.00 62.43 H new ATOM 0 HD22 LEU A 6 15.149 -10.344 -5.866 1.00 62.43 H new ATOM 0 HD23 LEU A 6 13.833 -11.420 -6.392 1.00 62.43 H new ATOM 94 N ASP A 7 12.468 -12.456 -8.234 1.00 20.05 N ATOM 95 CA ASP A 7 12.013 -13.836 -8.359 1.00 23.04 C ATOM 96 C ASP A 7 10.780 -13.923 -9.253 1.00 4.02 C ATOM 97 O ASP A 7 10.297 -15.013 -9.557 1.00 0.33 O ATOM 98 CB ASP A 7 11.701 -14.419 -6.980 1.00 31.52 C ATOM 99 CG ASP A 7 11.771 -15.934 -6.962 1.00 42.25 C ATOM 100 OD1 ASP A 7 12.740 -16.489 -7.521 1.00 42.30 O ATOM 101 OD2 ASP A 7 10.857 -16.564 -6.391 1.00 74.11 O ATOM 0 H ASP A 7 12.226 -12.011 -7.349 1.00 20.05 H new ATOM 0 HA ASP A 7 12.813 -14.417 -8.818 1.00 23.04 H new ATOM 0 HB2 ASP A 7 12.405 -14.017 -6.251 1.00 31.52 H new ATOM 0 HB3 ASP A 7 10.705 -14.101 -6.671 1.00 31.52 H new ATOM 106 N GLY A 8 10.275 -12.766 -9.670 1.00 44.13 N ATOM 107 CA GLY A 8 9.102 -12.734 -10.524 1.00 44.43 C ATOM 108 C GLY A 8 7.815 -12.603 -9.736 1.00 35.44 C ATOM 109 O GLY A 8 6.741 -12.429 -10.311 1.00 1.02 O ATOM 0 H GLY A 8 10.657 -11.851 -9.432 1.00 44.13 H new ATOM 0 HA2 GLY A 8 9.185 -11.899 -11.219 1.00 44.43 H new ATOM 0 HA3 GLY A 8 9.067 -13.644 -11.122 1.00 44.43 H new ATOM 113 N GLY A 9 7.921 -12.690 -8.413 1.00 13.00 N ATOM 114 CA GLY A 9 6.748 -12.580 -7.566 1.00 35.31 C ATOM 115 C GLY A 9 6.535 -11.171 -7.049 1.00 61.22 C ATOM 116 O GLY A 9 7.326 -10.271 -7.333 1.00 60.15 O ATOM 0 H GLY A 9 8.798 -12.835 -7.913 1.00 13.00 H new ATOM 0 HA2 GLY A 9 5.868 -12.895 -8.127 1.00 35.31 H new ATOM 0 HA3 GLY A 9 6.848 -13.262 -6.722 1.00 35.31 H new ATOM 120 N THR A 10 5.462 -10.977 -6.288 1.00 43.13 N ATOM 121 CA THR A 10 5.146 -9.667 -5.733 1.00 42.12 C ATOM 122 C THR A 10 5.189 -9.691 -4.210 1.00 11.54 C ATOM 123 O THR A 10 4.881 -10.706 -3.587 1.00 72.32 O ATOM 124 CB THR A 10 3.756 -9.184 -6.189 1.00 63.20 C ATOM 125 OG1 THR A 10 2.858 -10.295 -6.283 1.00 21.54 O ATOM 126 CG2 THR A 10 3.842 -8.480 -7.535 1.00 24.41 C ATOM 0 H THR A 10 4.797 -11.711 -6.042 1.00 43.13 H new ATOM 0 HA THR A 10 5.902 -8.975 -6.104 1.00 42.12 H new ATOM 0 HB THR A 10 3.381 -8.476 -5.450 1.00 63.20 H new ATOM 0 HG1 THR A 10 1.976 -9.979 -6.572 1.00 21.54 H new ATOM 0 HG21 THR A 10 2.848 -8.148 -7.836 1.00 24.41 H new ATOM 0 HG22 THR A 10 4.503 -7.617 -7.453 1.00 24.41 H new ATOM 0 HG23 THR A 10 4.236 -9.169 -8.282 1.00 24.41 H new ATOM 134 N GLU A 11 5.572 -8.565 -3.615 1.00 42.23 N ATOM 135 CA GLU A 11 5.655 -8.458 -2.163 1.00 72.14 C ATOM 136 C GLU A 11 4.926 -7.212 -1.667 1.00 63.51 C ATOM 137 O GLU A 11 4.889 -6.190 -2.350 1.00 44.32 O ATOM 138 CB GLU A 11 7.117 -8.420 -1.715 1.00 2.21 C ATOM 139 CG GLU A 11 7.873 -7.196 -2.206 1.00 75.32 C ATOM 140 CD GLU A 11 9.085 -6.877 -1.353 1.00 33.53 C ATOM 141 OE1 GLU A 11 10.176 -7.405 -1.651 1.00 23.32 O ATOM 142 OE2 GLU A 11 8.941 -6.099 -0.386 1.00 70.34 O ATOM 0 H GLU A 11 5.829 -7.715 -4.116 1.00 42.23 H new ATOM 0 HA GLU A 11 5.174 -9.335 -1.731 1.00 72.14 H new ATOM 0 HB2 GLU A 11 7.155 -8.448 -0.626 1.00 2.21 H new ATOM 0 HB3 GLU A 11 7.622 -9.317 -2.074 1.00 2.21 H new ATOM 0 HG2 GLU A 11 8.191 -7.359 -3.236 1.00 75.32 H new ATOM 0 HG3 GLU A 11 7.202 -6.337 -2.212 1.00 75.32 H new ATOM 149 N GLU A 12 4.348 -7.308 -0.474 1.00 20.21 N ATOM 150 CA GLU A 12 3.619 -6.190 0.113 1.00 4.31 C ATOM 151 C GLU A 12 4.559 -5.283 0.903 1.00 33.24 C ATOM 152 O GLU A 12 5.140 -5.696 1.907 1.00 21.52 O ATOM 153 CB GLU A 12 2.501 -6.702 1.024 1.00 64.05 C ATOM 154 CG GLU A 12 1.489 -7.582 0.309 1.00 45.32 C ATOM 155 CD GLU A 12 0.219 -7.781 1.113 1.00 63.33 C ATOM 156 OE1 GLU A 12 0.257 -8.540 2.104 1.00 52.31 O ATOM 157 OE2 GLU A 12 -0.812 -7.178 0.750 1.00 75.20 O ATOM 0 H GLU A 12 4.370 -8.148 0.105 1.00 20.21 H new ATOM 0 HA GLU A 12 3.179 -5.610 -0.698 1.00 4.31 H new ATOM 0 HB2 GLU A 12 2.943 -7.265 1.846 1.00 64.05 H new ATOM 0 HB3 GLU A 12 1.983 -5.850 1.463 1.00 64.05 H new ATOM 0 HG2 GLU A 12 1.239 -7.134 -0.653 1.00 45.32 H new ATOM 0 HG3 GLU A 12 1.939 -8.553 0.102 1.00 45.32 H new ATOM 164 N CYS A 13 4.703 -4.045 0.443 1.00 32.10 N ATOM 165 CA CYS A 13 5.571 -3.079 1.104 1.00 25.04 C ATOM 166 C CYS A 13 4.806 -2.298 2.168 1.00 14.22 C ATOM 167 O CYS A 13 3.786 -1.670 1.878 1.00 25.34 O ATOM 168 CB CYS A 13 6.170 -2.114 0.079 1.00 13.20 C ATOM 169 SG CYS A 13 7.148 -2.927 -1.225 1.00 0.10 S ATOM 0 H CYS A 13 4.229 -3.687 -0.386 1.00 32.10 H new ATOM 0 HA CYS A 13 6.377 -3.627 1.591 1.00 25.04 H new ATOM 0 HB2 CYS A 13 5.363 -1.548 -0.386 1.00 13.20 H new ATOM 0 HB3 CYS A 13 6.804 -1.396 0.599 1.00 13.20 H new ATOM 174 N ILE A 14 5.304 -2.341 3.399 1.00 33.13 N ATOM 175 CA ILE A 14 4.668 -1.637 4.505 1.00 14.44 C ATOM 176 C ILE A 14 4.789 -0.126 4.337 1.00 14.23 C ATOM 177 O ILE A 14 5.790 0.390 3.839 1.00 15.24 O ATOM 178 CB ILE A 14 5.281 -2.042 5.858 1.00 24.05 C ATOM 179 CG1 ILE A 14 6.807 -1.943 5.801 1.00 1.54 C ATOM 180 CG2 ILE A 14 4.851 -3.452 6.234 1.00 32.01 C ATOM 181 CD1 ILE A 14 7.467 -1.988 7.162 1.00 71.22 C ATOM 0 H ILE A 14 6.146 -2.856 3.655 1.00 33.13 H new ATOM 0 HA ILE A 14 3.615 -1.919 4.494 1.00 14.44 H new ATOM 0 HB ILE A 14 4.919 -1.356 6.624 1.00 24.05 H new ATOM 0 HG12 ILE A 14 7.193 -2.760 5.192 1.00 1.54 H new ATOM 0 HG13 ILE A 14 7.084 -1.014 5.302 1.00 1.54 H new ATOM 0 HG21 ILE A 14 5.293 -3.724 7.193 1.00 32.01 H new ATOM 0 HG22 ILE A 14 3.764 -3.493 6.310 1.00 32.01 H new ATOM 0 HG23 ILE A 14 5.187 -4.151 5.469 1.00 32.01 H new ATOM 0 HD11 ILE A 14 8.548 -1.913 7.045 1.00 71.22 H new ATOM 0 HD12 ILE A 14 7.109 -1.155 7.768 1.00 71.22 H new ATOM 0 HD13 ILE A 14 7.220 -2.928 7.655 1.00 71.22 H new ATOM 193 N PRO A 15 3.746 0.602 4.764 1.00 40.44 N ATOM 194 CA PRO A 15 3.712 2.065 4.673 1.00 3.11 C ATOM 195 C PRO A 15 4.694 2.728 5.634 1.00 53.14 C ATOM 196 O PRO A 15 4.917 3.936 5.572 1.00 1.42 O ATOM 197 CB PRO A 15 2.272 2.411 5.057 1.00 14.14 C ATOM 198 CG PRO A 15 1.822 1.272 5.906 1.00 52.04 C ATOM 199 CD PRO A 15 2.520 0.054 5.367 1.00 20.14 C ATOM 0 HA PRO A 15 4.000 2.419 3.683 1.00 3.11 H new ATOM 0 HB2 PRO A 15 2.223 3.354 5.601 1.00 14.14 H new ATOM 0 HB3 PRO A 15 1.642 2.520 4.174 1.00 14.14 H new ATOM 0 HG2 PRO A 15 2.080 1.439 6.952 1.00 52.04 H new ATOM 0 HG3 PRO A 15 0.739 1.154 5.859 1.00 52.04 H new ATOM 0 HD2 PRO A 15 2.746 -0.662 6.157 1.00 20.14 H new ATOM 0 HD3 PRO A 15 1.908 -0.467 4.630 1.00 20.14 H new ATOM 207 N GLY A 16 5.278 1.929 6.521 1.00 31.31 N ATOM 208 CA GLY A 16 6.229 2.457 7.482 1.00 61.53 C ATOM 209 C GLY A 16 7.628 2.572 6.909 1.00 13.51 C ATOM 210 O GLY A 16 8.295 3.592 7.085 1.00 52.52 O ATOM 0 H GLY A 16 5.110 0.925 6.592 1.00 31.31 H new ATOM 0 HA2 GLY A 16 5.895 3.439 7.817 1.00 61.53 H new ATOM 0 HA3 GLY A 16 6.251 1.811 8.360 1.00 61.53 H new ATOM 214 N ILE A 17 8.074 1.525 6.224 1.00 75.10 N ATOM 215 CA ILE A 17 9.402 1.514 5.625 1.00 62.04 C ATOM 216 C ILE A 17 9.319 1.399 4.106 1.00 4.03 C ATOM 217 O ILE A 17 8.306 0.962 3.561 1.00 52.13 O ATOM 218 CB ILE A 17 10.256 0.354 6.170 1.00 4.42 C ATOM 219 CG1 ILE A 17 10.034 0.193 7.675 1.00 23.24 C ATOM 220 CG2 ILE A 17 11.728 0.594 5.869 1.00 24.32 C ATOM 221 CD1 ILE A 17 10.755 -0.998 8.268 1.00 35.10 C ATOM 0 H ILE A 17 7.535 0.673 6.070 1.00 75.10 H new ATOM 0 HA ILE A 17 9.876 2.459 5.891 1.00 62.04 H new ATOM 0 HB ILE A 17 9.950 -0.568 5.676 1.00 4.42 H new ATOM 0 HG12 ILE A 17 10.367 1.099 8.182 1.00 23.24 H new ATOM 0 HG13 ILE A 17 8.966 0.094 7.868 1.00 23.24 H new ATOM 0 HG21 ILE A 17 12.319 -0.234 6.260 1.00 24.32 H new ATOM 0 HG22 ILE A 17 11.872 0.665 4.791 1.00 24.32 H new ATOM 0 HG23 ILE A 17 12.049 1.523 6.340 1.00 24.32 H new ATOM 0 HD11 ILE A 17 10.553 -1.050 9.338 1.00 35.10 H new ATOM 0 HD12 ILE A 17 10.405 -1.912 7.787 1.00 35.10 H new ATOM 0 HD13 ILE A 17 11.828 -0.891 8.107 1.00 35.10 H new ATOM 233 N TYR A 18 10.393 1.792 3.430 1.00 54.24 N ATOM 234 CA TYR A 18 10.442 1.734 1.973 1.00 33.05 C ATOM 235 C TYR A 18 9.422 2.686 1.356 1.00 62.15 C ATOM 236 O TYR A 18 8.217 2.448 1.419 1.00 51.51 O ATOM 237 CB TYR A 18 10.181 0.306 1.490 1.00 4.32 C ATOM 238 CG TYR A 18 11.000 -0.737 2.216 1.00 70.51 C ATOM 239 CD1 TYR A 18 12.343 -0.521 2.499 1.00 20.45 C ATOM 240 CD2 TYR A 18 10.431 -1.940 2.617 1.00 1.22 C ATOM 241 CE1 TYR A 18 13.095 -1.472 3.162 1.00 62.33 C ATOM 242 CE2 TYR A 18 11.175 -2.896 3.281 1.00 1.42 C ATOM 243 CZ TYR A 18 12.507 -2.657 3.551 1.00 73.41 C ATOM 244 OH TYR A 18 13.252 -3.608 4.211 1.00 54.31 O ATOM 0 H TYR A 18 11.241 2.154 3.867 1.00 54.24 H new ATOM 0 HA TYR A 18 11.438 2.042 1.655 1.00 33.05 H new ATOM 0 HB2 TYR A 18 9.123 0.077 1.615 1.00 4.32 H new ATOM 0 HB3 TYR A 18 10.396 0.247 0.423 1.00 4.32 H new ATOM 0 HD1 TYR A 18 12.807 0.406 2.196 1.00 20.45 H new ATOM 0 HD2 TYR A 18 9.389 -2.131 2.406 1.00 1.22 H new ATOM 0 HE1 TYR A 18 14.138 -1.288 3.374 1.00 62.33 H new ATOM 0 HE2 TYR A 18 10.717 -3.825 3.587 1.00 1.42 H new ATOM 0 HH TYR A 18 12.687 -4.382 4.415 1.00 54.31 H new ATOM 254 N ASN A 19 9.917 3.765 0.757 1.00 33.21 N ATOM 255 CA ASN A 19 9.050 4.754 0.127 1.00 70.13 C ATOM 256 C ASN A 19 9.361 4.880 -1.362 1.00 33.33 C ATOM 257 O ASN A 19 8.593 5.473 -2.119 1.00 74.34 O ATOM 258 CB ASN A 19 9.212 6.113 0.810 1.00 51.54 C ATOM 259 CG ASN A 19 10.637 6.368 1.260 1.00 44.33 C ATOM 260 OD1 ASN A 19 11.106 5.782 2.236 1.00 42.14 O ATOM 261 ND2 ASN A 19 11.334 7.247 0.548 1.00 22.14 N ATOM 0 H ASN A 19 10.913 3.976 0.695 1.00 33.21 H new ATOM 0 HA ASN A 19 8.018 4.420 0.238 1.00 70.13 H new ATOM 0 HB2 ASN A 19 8.905 6.901 0.122 1.00 51.54 H new ATOM 0 HB3 ASN A 19 8.547 6.165 1.672 1.00 51.54 H new ATOM 0 HD21 ASN A 19 12.298 7.460 0.803 1.00 22.14 H new ATOM 0 HD22 ASN A 19 10.905 7.709 -0.254 1.00 22.14 H new ATOM 268 N VAL A 20 10.492 4.317 -1.774 1.00 61.11 N ATOM 269 CA VAL A 20 10.904 4.364 -3.172 1.00 3.11 C ATOM 270 C VAL A 20 10.924 2.969 -3.786 1.00 51.14 C ATOM 271 O VAL A 20 10.755 1.969 -3.089 1.00 31.35 O ATOM 272 CB VAL A 20 12.299 5.000 -3.325 1.00 12.14 C ATOM 273 CG1 VAL A 20 12.244 6.488 -3.015 1.00 10.23 C ATOM 274 CG2 VAL A 20 13.306 4.297 -2.427 1.00 72.22 C ATOM 0 H VAL A 20 11.139 3.823 -1.160 1.00 61.11 H new ATOM 0 HA VAL A 20 10.173 4.979 -3.697 1.00 3.11 H new ATOM 0 HB VAL A 20 12.623 4.880 -4.359 1.00 12.14 H new ATOM 0 HG11 VAL A 20 13.238 6.920 -3.128 1.00 10.23 H new ATOM 0 HG12 VAL A 20 11.555 6.978 -3.703 1.00 10.23 H new ATOM 0 HG13 VAL A 20 11.899 6.634 -1.991 1.00 10.23 H new ATOM 0 HG21 VAL A 20 14.286 4.759 -2.548 1.00 72.22 H new ATOM 0 HG22 VAL A 20 12.989 4.384 -1.388 1.00 72.22 H new ATOM 0 HG23 VAL A 20 13.365 3.244 -2.701 1.00 72.22 H new ATOM 284 N CYS A 21 11.132 2.909 -5.097 1.00 53.05 N ATOM 285 CA CYS A 21 11.174 1.637 -5.808 1.00 72.21 C ATOM 286 C CYS A 21 12.027 1.746 -7.069 1.00 20.34 C ATOM 287 O CYS A 21 12.047 2.784 -7.730 1.00 71.32 O ATOM 288 CB CYS A 21 9.758 1.186 -6.174 1.00 44.25 C ATOM 289 SG CYS A 21 8.741 2.485 -6.947 1.00 2.22 S ATOM 0 H CYS A 21 11.274 3.727 -5.689 1.00 53.05 H new ATOM 0 HA CYS A 21 11.625 0.896 -5.148 1.00 72.21 H new ATOM 0 HB2 CYS A 21 9.823 0.337 -6.855 1.00 44.25 H new ATOM 0 HB3 CYS A 21 9.256 0.834 -5.273 1.00 44.25 H new ATOM 294 N VAL A 22 12.731 0.666 -7.395 1.00 40.51 N ATOM 295 CA VAL A 22 13.585 0.639 -8.576 1.00 41.45 C ATOM 296 C VAL A 22 13.400 -0.656 -9.359 1.00 25.14 C ATOM 297 O VAL A 22 13.296 -1.736 -8.776 1.00 62.21 O ATOM 298 CB VAL A 22 15.071 0.791 -8.199 1.00 34.13 C ATOM 299 CG1 VAL A 22 15.956 0.107 -9.229 1.00 42.11 C ATOM 300 CG2 VAL A 22 15.437 2.261 -8.060 1.00 24.44 C ATOM 0 H VAL A 22 12.726 -0.201 -6.858 1.00 40.51 H new ATOM 0 HA VAL A 22 13.289 1.482 -9.200 1.00 41.45 H new ATOM 0 HB VAL A 22 15.235 0.307 -7.236 1.00 34.13 H new ATOM 0 HG11 VAL A 22 17.002 0.225 -8.946 1.00 42.11 H new ATOM 0 HG12 VAL A 22 15.710 -0.954 -9.273 1.00 42.11 H new ATOM 0 HG13 VAL A 22 15.792 0.559 -10.207 1.00 42.11 H new ATOM 0 HG21 VAL A 22 16.490 2.350 -7.793 1.00 24.44 H new ATOM 0 HG22 VAL A 22 15.258 2.772 -9.006 1.00 24.44 H new ATOM 0 HG23 VAL A 22 14.826 2.716 -7.281 1.00 24.44 H new ATOM 310 N HIS A 23 13.361 -0.541 -10.682 1.00 62.43 N ATOM 311 CA HIS A 23 13.190 -1.705 -11.546 1.00 2.53 C ATOM 312 C HIS A 23 14.370 -1.849 -12.503 1.00 14.22 C ATOM 313 O HIS A 23 14.561 -1.024 -13.396 1.00 43.53 O ATOM 314 CB HIS A 23 11.887 -1.591 -12.337 1.00 70.32 C ATOM 315 CG HIS A 23 11.663 -2.727 -13.288 1.00 0.30 C ATOM 316 ND1 HIS A 23 10.717 -2.693 -14.291 1.00 45.01 N ATOM 317 CD2 HIS A 23 12.270 -3.933 -13.385 1.00 50.45 C ATOM 318 CE1 HIS A 23 10.751 -3.830 -14.963 1.00 43.33 C ATOM 319 NE2 HIS A 23 11.685 -4.599 -14.434 1.00 63.11 N ATOM 0 H HIS A 23 13.445 0.345 -11.180 1.00 62.43 H new ATOM 0 HA HIS A 23 13.147 -2.593 -10.915 1.00 2.53 H new ATOM 0 HB2 HIS A 23 11.051 -1.542 -11.639 1.00 70.32 H new ATOM 0 HB3 HIS A 23 11.891 -0.655 -12.896 1.00 70.32 H new ATOM 0 HD2 HIS A 23 13.066 -4.302 -12.755 1.00 50.45 H new ATOM 0 HE1 HIS A 23 10.122 -4.087 -15.802 1.00 43.33 H new ATOM 0 HE2 HIS A 23 11.932 -5.536 -14.753 1.00 63.11 H new ATOM 327 N TYR A 24 15.157 -2.901 -12.309 1.00 52.03 N ATOM 328 CA TYR A 24 16.319 -3.151 -13.153 1.00 63.31 C ATOM 329 C TYR A 24 16.027 -4.249 -14.171 1.00 61.41 C ATOM 330 O TYR A 24 15.789 -5.402 -13.809 1.00 11.32 O ATOM 331 CB TYR A 24 17.524 -3.543 -12.295 1.00 74.12 C ATOM 332 CG TYR A 24 18.824 -3.597 -13.065 1.00 74.33 C ATOM 333 CD1 TYR A 24 19.063 -4.603 -13.994 1.00 12.23 C ATOM 334 CD2 TYR A 24 19.813 -2.642 -12.865 1.00 54.11 C ATOM 335 CE1 TYR A 24 20.249 -4.657 -14.699 1.00 4.52 C ATOM 336 CE2 TYR A 24 21.002 -2.687 -13.567 1.00 13.21 C ATOM 337 CZ TYR A 24 21.216 -3.696 -14.482 1.00 74.31 C ATOM 338 OH TYR A 24 22.398 -3.745 -15.184 1.00 24.44 O ATOM 0 H TYR A 24 15.012 -3.594 -11.575 1.00 52.03 H new ATOM 0 HA TYR A 24 16.549 -2.232 -13.693 1.00 63.31 H new ATOM 0 HB2 TYR A 24 17.625 -2.829 -11.478 1.00 74.12 H new ATOM 0 HB3 TYR A 24 17.337 -4.518 -11.845 1.00 74.12 H new ATOM 0 HD1 TYR A 24 18.308 -5.355 -14.167 1.00 12.23 H new ATOM 0 HD2 TYR A 24 19.649 -1.851 -12.148 1.00 54.11 H new ATOM 0 HE1 TYR A 24 20.419 -5.446 -15.416 1.00 4.52 H new ATOM 0 HE2 TYR A 24 21.760 -1.936 -13.400 1.00 13.21 H new ATOM 0 HH TYR A 24 22.970 -2.996 -14.915 1.00 24.44 H new ATOM 348 N LYS A 25 16.048 -3.884 -15.448 1.00 52.43 N ATOM 349 CA LYS A 25 15.788 -4.836 -16.522 1.00 14.53 C ATOM 350 C LYS A 25 16.892 -4.786 -17.573 1.00 10.23 C ATOM 351 O LYS A 25 17.073 -3.773 -18.249 1.00 23.23 O ATOM 352 CB LYS A 25 14.435 -4.543 -17.174 1.00 54.40 C ATOM 353 CG LYS A 25 14.042 -5.551 -18.239 1.00 71.54 C ATOM 354 CD LYS A 25 12.636 -5.297 -18.757 1.00 21.30 C ATOM 355 CE LYS A 25 12.629 -4.249 -19.859 1.00 60.44 C ATOM 356 NZ LYS A 25 11.480 -4.430 -20.789 1.00 33.00 N ATOM 0 H LYS A 25 16.243 -2.934 -15.765 1.00 52.43 H new ATOM 0 HA LYS A 25 15.768 -5.836 -16.090 1.00 14.53 H new ATOM 0 HB2 LYS A 25 13.666 -4.524 -16.402 1.00 54.40 H new ATOM 0 HB3 LYS A 25 14.464 -3.549 -17.620 1.00 54.40 H new ATOM 0 HG2 LYS A 25 14.750 -5.502 -19.066 1.00 71.54 H new ATOM 0 HG3 LYS A 25 14.102 -6.558 -17.827 1.00 71.54 H new ATOM 0 HD2 LYS A 25 12.213 -6.227 -19.136 1.00 21.30 H new ATOM 0 HD3 LYS A 25 11.999 -4.968 -17.936 1.00 21.30 H new ATOM 0 HE2 LYS A 25 12.583 -3.255 -19.414 1.00 60.44 H new ATOM 0 HE3 LYS A 25 13.562 -4.305 -20.419 1.00 60.44 H new ATOM 0 HZ1 LYS A 25 11.511 -3.696 -21.526 1.00 33.00 H new ATOM 0 HZ2 LYS A 25 11.537 -5.369 -21.233 1.00 33.00 H new ATOM 0 HZ3 LYS A 25 10.589 -4.351 -20.259 1.00 33.00 H new ATOM 370 N SER A 26 17.626 -5.886 -17.706 1.00 3.35 N ATOM 371 CA SER A 26 18.714 -5.966 -18.673 1.00 24.20 C ATOM 372 C SER A 26 18.644 -7.270 -19.462 1.00 40.25 C ATOM 373 O SER A 26 18.008 -8.232 -19.035 1.00 71.51 O ATOM 374 CB SER A 26 20.065 -5.859 -17.963 1.00 3.00 C ATOM 375 OG SER A 26 20.341 -4.520 -17.590 1.00 55.10 O ATOM 0 H SER A 26 17.487 -6.734 -17.156 1.00 3.35 H new ATOM 0 HA SER A 26 18.610 -5.134 -19.369 1.00 24.20 H new ATOM 0 HB2 SER A 26 20.065 -6.494 -17.077 1.00 3.00 H new ATOM 0 HB3 SER A 26 20.854 -6.227 -18.619 1.00 3.00 H new ATOM 0 HG SER A 26 19.973 -4.346 -16.699 1.00 55.10 H new ATOM 381 N GLU A 27 19.303 -7.291 -20.617 1.00 73.40 N ATOM 382 CA GLU A 27 19.314 -8.476 -21.467 1.00 62.20 C ATOM 383 C GLU A 27 20.231 -9.551 -20.890 1.00 33.12 C ATOM 384 O GLU A 27 20.180 -10.711 -21.300 1.00 11.14 O ATOM 385 CB GLU A 27 19.766 -8.111 -22.883 1.00 24.25 C ATOM 386 CG GLU A 27 21.207 -7.634 -22.957 1.00 61.22 C ATOM 387 CD GLU A 27 21.655 -7.352 -24.378 1.00 42.21 C ATOM 388 OE1 GLU A 27 21.212 -8.076 -25.294 1.00 51.22 O ATOM 389 OE2 GLU A 27 22.449 -6.408 -24.574 1.00 53.20 O ATOM 0 H GLU A 27 19.835 -6.502 -20.985 1.00 73.40 H new ATOM 0 HA GLU A 27 18.299 -8.872 -21.508 1.00 62.20 H new ATOM 0 HB2 GLU A 27 19.646 -8.981 -23.529 1.00 24.25 H new ATOM 0 HB3 GLU A 27 19.113 -7.331 -23.274 1.00 24.25 H new ATOM 0 HG2 GLU A 27 21.318 -6.730 -22.359 1.00 61.22 H new ATOM 0 HG3 GLU A 27 21.859 -8.389 -22.517 1.00 61.22 H new ATOM 396 N ASP A 28 21.068 -9.157 -19.937 1.00 1.40 N ATOM 397 CA ASP A 28 21.996 -10.085 -19.302 1.00 63.23 C ATOM 398 C ASP A 28 21.494 -10.497 -17.922 1.00 3.33 C ATOM 399 O ASP A 28 21.841 -11.565 -17.418 1.00 40.33 O ATOM 400 CB ASP A 28 23.384 -9.453 -19.186 1.00 62.14 C ATOM 401 CG ASP A 28 24.498 -10.464 -19.376 1.00 43.42 C ATOM 402 OD1 ASP A 28 24.565 -11.429 -18.586 1.00 42.14 O ATOM 403 OD2 ASP A 28 25.303 -10.290 -20.315 1.00 52.31 O ATOM 0 H ASP A 28 21.123 -8.201 -19.587 1.00 1.40 H new ATOM 0 HA ASP A 28 22.063 -10.977 -19.925 1.00 63.23 H new ATOM 0 HB2 ASP A 28 23.484 -8.663 -19.930 1.00 62.14 H new ATOM 0 HB3 ASP A 28 23.486 -8.984 -18.207 1.00 62.14 H new ATOM 408 N GLU A 29 20.677 -9.641 -17.315 1.00 62.24 N ATOM 409 CA GLU A 29 20.130 -9.916 -15.992 1.00 73.11 C ATOM 410 C GLU A 29 18.885 -9.072 -15.732 1.00 44.10 C ATOM 411 O GLU A 29 18.613 -8.112 -16.452 1.00 71.23 O ATOM 412 CB GLU A 29 21.180 -9.641 -14.914 1.00 62.40 C ATOM 413 CG GLU A 29 21.472 -8.164 -14.711 1.00 30.11 C ATOM 414 CD GLU A 29 22.707 -7.924 -13.865 1.00 65.31 C ATOM 415 OE1 GLU A 29 22.925 -8.688 -12.902 1.00 31.15 O ATOM 416 OE2 GLU A 29 23.457 -6.972 -14.168 1.00 21.34 O ATOM 0 H GLU A 29 20.380 -8.752 -17.718 1.00 62.24 H new ATOM 0 HA GLU A 29 19.849 -10.969 -15.955 1.00 73.11 H new ATOM 0 HB2 GLU A 29 20.840 -10.068 -13.971 1.00 62.40 H new ATOM 0 HB3 GLU A 29 22.105 -10.152 -15.181 1.00 62.40 H new ATOM 0 HG2 GLU A 29 21.603 -7.687 -15.682 1.00 30.11 H new ATOM 0 HG3 GLU A 29 20.613 -7.690 -14.236 1.00 30.11 H new ATOM 423 N GLU A 30 18.134 -9.438 -14.698 1.00 24.20 N ATOM 424 CA GLU A 30 16.918 -8.715 -14.344 1.00 24.51 C ATOM 425 C GLU A 30 16.567 -8.929 -12.874 1.00 70.04 C ATOM 426 O GLU A 30 16.424 -10.063 -12.417 1.00 64.44 O ATOM 427 CB GLU A 30 15.755 -9.167 -15.229 1.00 15.32 C ATOM 428 CG GLU A 30 14.434 -8.500 -14.884 1.00 15.13 C ATOM 429 CD GLU A 30 13.346 -8.802 -15.896 1.00 34.01 C ATOM 430 OE1 GLU A 30 13.668 -9.356 -16.967 1.00 64.51 O ATOM 431 OE2 GLU A 30 12.171 -8.484 -15.616 1.00 12.21 O ATOM 0 H GLU A 30 18.346 -10.230 -14.091 1.00 24.20 H new ATOM 0 HA GLU A 30 17.096 -7.652 -14.506 1.00 24.51 H new ATOM 0 HB2 GLU A 30 15.998 -8.956 -16.270 1.00 15.32 H new ATOM 0 HB3 GLU A 30 15.641 -10.247 -15.141 1.00 15.32 H new ATOM 0 HG2 GLU A 30 14.110 -8.833 -13.898 1.00 15.13 H new ATOM 0 HG3 GLU A 30 14.580 -7.422 -14.825 1.00 15.13 H new ATOM 438 N TYR A 31 16.430 -7.831 -12.140 1.00 15.13 N ATOM 439 CA TYR A 31 16.098 -7.897 -10.721 1.00 50.24 C ATOM 440 C TYR A 31 15.443 -6.601 -10.254 1.00 52.42 C ATOM 441 O TYR A 31 15.530 -5.570 -10.923 1.00 21.34 O ATOM 442 CB TYR A 31 17.355 -8.173 -9.895 1.00 11.24 C ATOM 443 CG TYR A 31 18.401 -7.086 -10.001 1.00 54.22 C ATOM 444 CD1 TYR A 31 18.265 -5.894 -9.300 1.00 43.43 C ATOM 445 CD2 TYR A 31 19.523 -7.250 -10.803 1.00 71.34 C ATOM 446 CE1 TYR A 31 19.218 -4.897 -9.395 1.00 74.31 C ATOM 447 CE2 TYR A 31 20.481 -6.260 -10.903 1.00 70.10 C ATOM 448 CZ TYR A 31 20.324 -5.085 -10.197 1.00 72.53 C ATOM 449 OH TYR A 31 21.275 -4.096 -10.295 1.00 62.10 O ATOM 0 H TYR A 31 16.544 -6.885 -12.503 1.00 15.13 H new ATOM 0 HA TYR A 31 15.390 -8.713 -10.577 1.00 50.24 H new ATOM 0 HB2 TYR A 31 17.073 -8.293 -8.849 1.00 11.24 H new ATOM 0 HB3 TYR A 31 17.791 -9.118 -10.218 1.00 11.24 H new ATOM 0 HD1 TYR A 31 17.400 -5.744 -8.670 1.00 43.43 H new ATOM 0 HD2 TYR A 31 19.649 -8.168 -11.358 1.00 71.34 H new ATOM 0 HE1 TYR A 31 19.097 -3.976 -8.844 1.00 74.31 H new ATOM 0 HE2 TYR A 31 21.348 -6.405 -11.530 1.00 70.10 H new ATOM 0 HH TYR A 31 21.075 -3.525 -11.066 1.00 62.10 H new ATOM 459 N LYS A 32 14.786 -6.660 -9.101 1.00 2.34 N ATOM 460 CA LYS A 32 14.117 -5.492 -8.540 1.00 73.01 C ATOM 461 C LYS A 32 14.403 -5.365 -7.047 1.00 42.03 C ATOM 462 O LYS A 32 14.309 -6.340 -6.302 1.00 72.33 O ATOM 463 CB LYS A 32 12.607 -5.583 -8.775 1.00 1.45 C ATOM 464 CG LYS A 32 12.209 -5.442 -10.233 1.00 74.25 C ATOM 465 CD LYS A 32 11.051 -6.361 -10.586 1.00 55.51 C ATOM 466 CE LYS A 32 10.269 -5.838 -11.782 1.00 22.20 C ATOM 467 NZ LYS A 32 8.867 -6.338 -11.790 1.00 34.55 N ATOM 0 H LYS A 32 14.702 -7.505 -8.536 1.00 2.34 H new ATOM 0 HA LYS A 32 14.505 -4.606 -9.042 1.00 73.01 H new ATOM 0 HB2 LYS A 32 12.246 -6.541 -8.400 1.00 1.45 H new ATOM 0 HB3 LYS A 32 12.110 -4.806 -8.195 1.00 1.45 H new ATOM 0 HG2 LYS A 32 11.930 -4.408 -10.437 1.00 74.25 H new ATOM 0 HG3 LYS A 32 13.064 -5.672 -10.869 1.00 74.25 H new ATOM 0 HD2 LYS A 32 11.431 -7.359 -10.806 1.00 55.51 H new ATOM 0 HD3 LYS A 32 10.386 -6.456 -9.728 1.00 55.51 H new ATOM 0 HE2 LYS A 32 10.266 -4.748 -11.765 1.00 22.20 H new ATOM 0 HE3 LYS A 32 10.768 -6.141 -12.703 1.00 22.20 H new ATOM 0 HZ1 LYS A 32 8.566 -6.512 -12.770 1.00 34.55 H new ATOM 0 HZ2 LYS A 32 8.811 -7.224 -11.248 1.00 34.55 H new ATOM 0 HZ3 LYS A 32 8.243 -5.628 -11.357 1.00 34.55 H new ATOM 481 N SER A 33 14.752 -4.157 -6.617 1.00 41.30 N ATOM 482 CA SER A 33 15.055 -3.903 -5.213 1.00 75.02 C ATOM 483 C SER A 33 15.143 -2.405 -4.939 1.00 14.14 C ATOM 484 O SER A 33 15.534 -1.624 -5.807 1.00 60.50 O ATOM 485 CB SER A 33 16.368 -4.583 -4.822 1.00 11.14 C ATOM 486 OG SER A 33 17.483 -3.800 -5.210 1.00 42.22 O ATOM 0 H SER A 33 14.832 -3.339 -7.220 1.00 41.30 H new ATOM 0 HA SER A 33 14.246 -4.318 -4.611 1.00 75.02 H new ATOM 0 HB2 SER A 33 16.391 -4.745 -3.744 1.00 11.14 H new ATOM 0 HB3 SER A 33 16.427 -5.564 -5.293 1.00 11.14 H new ATOM 0 HG SER A 33 18.310 -4.256 -4.947 1.00 42.22 H new ATOM 492 N CYS A 34 14.776 -2.010 -3.724 1.00 54.22 N ATOM 493 CA CYS A 34 14.812 -0.606 -3.333 1.00 33.04 C ATOM 494 C CYS A 34 14.326 -0.429 -1.897 1.00 33.00 C ATOM 495 O CYS A 34 14.139 -1.403 -1.169 1.00 25.01 O ATOM 496 CB CYS A 34 13.952 0.232 -4.281 1.00 35.22 C ATOM 497 SG CYS A 34 14.723 1.800 -4.795 1.00 10.14 S ATOM 0 H CYS A 34 14.450 -2.643 -2.993 1.00 54.22 H new ATOM 0 HA CYS A 34 15.845 -0.264 -3.393 1.00 33.04 H new ATOM 0 HB2 CYS A 34 13.728 -0.359 -5.169 1.00 35.22 H new ATOM 0 HB3 CYS A 34 13.001 0.449 -3.795 1.00 35.22 H new ATOM 0 HG CYS A 34 15.856 1.950 -4.175 1.00 10.14 H new ATOM 502 N GLY A 35 14.122 0.823 -1.497 1.00 31.41 N ATOM 503 CA GLY A 35 13.659 1.105 -0.151 1.00 4.04 C ATOM 504 C GLY A 35 13.587 2.591 0.138 1.00 43.43 C ATOM 505 O GLY A 35 12.511 3.187 0.093 1.00 52.53 O ATOM 0 H GLY A 35 14.269 1.646 -2.081 1.00 31.41 H new ATOM 0 HA2 GLY A 35 12.673 0.662 -0.009 1.00 4.04 H new ATOM 0 HA3 GLY A 35 14.328 0.630 0.567 1.00 4.04 H new ATOM 509 N ILE A 36 14.735 3.191 0.436 1.00 31.12 N ATOM 510 CA ILE A 36 14.797 4.616 0.734 1.00 53.54 C ATOM 511 C ILE A 36 15.505 5.380 -0.380 1.00 53.33 C ATOM 512 O ILE A 36 16.464 4.886 -0.972 1.00 31.11 O ATOM 513 CB ILE A 36 15.523 4.883 2.065 1.00 21.33 C ATOM 514 CG1 ILE A 36 16.714 3.934 2.221 1.00 54.25 C ATOM 515 CG2 ILE A 36 14.561 4.729 3.234 1.00 53.15 C ATOM 516 CD1 ILE A 36 17.516 4.173 3.480 1.00 5.31 C ATOM 0 H ILE A 36 15.635 2.712 0.477 1.00 31.12 H new ATOM 0 HA ILE A 36 13.768 4.966 0.815 1.00 53.54 H new ATOM 0 HB ILE A 36 15.896 5.907 2.059 1.00 21.33 H new ATOM 0 HG12 ILE A 36 16.352 2.906 2.221 1.00 54.25 H new ATOM 0 HG13 ILE A 36 17.369 4.041 1.357 1.00 54.25 H new ATOM 0 HG21 ILE A 36 15.089 4.921 4.168 1.00 53.15 H new ATOM 0 HG22 ILE A 36 13.742 5.441 3.128 1.00 53.15 H new ATOM 0 HG23 ILE A 36 14.161 3.715 3.245 1.00 53.15 H new ATOM 0 HD11 ILE A 36 18.343 3.465 3.524 1.00 5.31 H new ATOM 0 HD12 ILE A 36 17.909 5.190 3.474 1.00 5.31 H new ATOM 0 HD13 ILE A 36 16.875 4.037 4.351 1.00 5.31 H new ATOM 528 N GLN A 37 15.026 6.588 -0.659 1.00 12.41 N ATOM 529 CA GLN A 37 15.614 7.421 -1.701 1.00 41.13 C ATOM 530 C GLN A 37 17.125 7.531 -1.522 1.00 73.04 C ATOM 531 O GLN A 37 17.865 7.676 -2.495 1.00 12.45 O ATOM 532 CB GLN A 37 14.984 8.815 -1.686 1.00 61.13 C ATOM 533 CG GLN A 37 15.486 9.721 -2.799 1.00 13.32 C ATOM 534 CD GLN A 37 15.221 9.153 -4.179 1.00 31.41 C ATOM 535 OE1 GLN A 37 14.014 8.639 -4.386 1.00 54.14 O flip ATOM 536 NE2 GLN A 37 16.092 9.174 -5.049 1.00 50.24 N flip ATOM 0 H GLN A 37 14.232 7.012 -0.178 1.00 12.41 H new ATOM 0 HA GLN A 37 15.414 6.950 -2.663 1.00 41.13 H new ATOM 0 HB2 GLN A 37 13.902 8.716 -1.769 1.00 61.13 H new ATOM 0 HB3 GLN A 37 15.188 9.287 -0.725 1.00 61.13 H new ATOM 0 HG2 GLN A 37 15.006 10.696 -2.713 1.00 13.32 H new ATOM 0 HG3 GLN A 37 16.557 9.882 -2.676 1.00 13.32 H new ATOM 0 HE21 GLN A 37 17.006 9.579 -4.846 1.00 50.24 H new ATOM 0 HE22 GLN A 37 15.900 8.786 -5.973 1.00 50.24 H new ATOM 545 N GLU A 38 17.574 7.461 -0.273 1.00 65.33 N ATOM 546 CA GLU A 38 18.997 7.554 0.032 1.00 63.21 C ATOM 547 C GLU A 38 19.746 6.329 -0.485 1.00 71.41 C ATOM 548 O GLU A 38 20.870 6.437 -0.974 1.00 73.44 O ATOM 549 CB GLU A 38 19.210 7.696 1.540 1.00 32.15 C ATOM 550 CG GLU A 38 18.667 8.995 2.112 1.00 71.11 C ATOM 551 CD GLU A 38 19.109 10.210 1.320 1.00 2.34 C ATOM 552 OE1 GLU A 38 20.312 10.303 0.997 1.00 13.23 O ATOM 553 OE2 GLU A 38 18.252 11.069 1.024 1.00 73.40 O ATOM 0 H GLU A 38 16.974 7.340 0.543 1.00 65.33 H new ATOM 0 HA GLU A 38 19.392 8.438 -0.468 1.00 63.21 H new ATOM 0 HB2 GLU A 38 18.731 6.858 2.046 1.00 32.15 H new ATOM 0 HB3 GLU A 38 20.277 7.632 1.755 1.00 32.15 H new ATOM 0 HG2 GLU A 38 17.578 8.953 2.129 1.00 71.11 H new ATOM 0 HG3 GLU A 38 18.998 9.099 3.145 1.00 71.11 H new ATOM 560 N GLU A 39 19.114 5.165 -0.372 1.00 32.45 N ATOM 561 CA GLU A 39 19.721 3.919 -0.826 1.00 54.00 C ATOM 562 C GLU A 39 19.466 3.701 -2.315 1.00 2.42 C ATOM 563 O GLU A 39 20.236 3.023 -2.995 1.00 70.52 O ATOM 564 CB GLU A 39 19.172 2.736 -0.025 1.00 55.44 C ATOM 565 CG GLU A 39 19.685 2.678 1.403 1.00 23.44 C ATOM 566 CD GLU A 39 20.989 1.913 1.523 1.00 4.34 C ATOM 567 OE1 GLU A 39 20.961 0.669 1.418 1.00 53.54 O ATOM 568 OE2 GLU A 39 22.039 2.560 1.723 1.00 61.10 O ATOM 0 H GLU A 39 18.182 5.059 0.030 1.00 32.45 H new ATOM 0 HA GLU A 39 20.797 3.989 -0.665 1.00 54.00 H new ATOM 0 HB2 GLU A 39 18.084 2.793 -0.009 1.00 55.44 H new ATOM 0 HB3 GLU A 39 19.436 1.809 -0.535 1.00 55.44 H new ATOM 0 HG2 GLU A 39 19.827 3.692 1.776 1.00 23.44 H new ATOM 0 HG3 GLU A 39 18.933 2.208 2.037 1.00 23.44 H new ATOM 575 N CYS A 40 18.380 4.282 -2.814 1.00 63.25 N ATOM 576 CA CYS A 40 18.022 4.152 -4.222 1.00 31.24 C ATOM 577 C CYS A 40 18.800 5.148 -5.076 1.00 4.45 C ATOM 578 O CYS A 40 19.096 4.884 -6.240 1.00 40.14 O ATOM 579 CB CYS A 40 16.519 4.368 -4.409 1.00 12.03 C ATOM 580 SG CYS A 40 15.582 2.839 -4.731 1.00 2.13 S ATOM 0 H CYS A 40 17.733 4.847 -2.265 1.00 63.25 H new ATOM 0 HA CYS A 40 18.281 3.144 -4.545 1.00 31.24 H new ATOM 0 HB2 CYS A 40 16.118 4.846 -3.515 1.00 12.03 H new ATOM 0 HB3 CYS A 40 16.362 5.059 -5.238 1.00 12.03 H new ATOM 0 HG CYS A 40 14.319 3.049 -4.506 1.00 2.13 H new ATOM 585 N GLU A 41 19.129 6.294 -4.487 1.00 11.13 N ATOM 586 CA GLU A 41 19.872 7.330 -5.194 1.00 5.00 C ATOM 587 C GLU A 41 21.368 7.024 -5.192 1.00 15.21 C ATOM 588 O GLU A 41 22.166 7.774 -5.754 1.00 2.14 O ATOM 589 CB GLU A 41 19.620 8.697 -4.555 1.00 15.12 C ATOM 590 CG GLU A 41 20.089 9.864 -5.407 1.00 61.24 C ATOM 591 CD GLU A 41 19.606 9.770 -6.842 1.00 11.04 C ATOM 592 OE1 GLU A 41 18.394 9.551 -7.047 1.00 31.01 O ATOM 593 OE2 GLU A 41 20.441 9.916 -7.759 1.00 12.11 O ATOM 0 H GLU A 41 18.893 6.528 -3.523 1.00 11.13 H new ATOM 0 HA GLU A 41 19.523 7.350 -6.227 1.00 5.00 H new ATOM 0 HB2 GLU A 41 18.553 8.806 -4.360 1.00 15.12 H new ATOM 0 HB3 GLU A 41 20.126 8.736 -3.590 1.00 15.12 H new ATOM 0 HG2 GLU A 41 19.733 10.796 -4.968 1.00 61.24 H new ATOM 0 HG3 GLU A 41 21.178 9.902 -5.396 1.00 61.24 H new ATOM 600 N ASP A 42 21.738 5.918 -4.556 1.00 1.30 N ATOM 601 CA ASP A 42 23.137 5.512 -4.480 1.00 74.04 C ATOM 602 C ASP A 42 23.745 5.397 -5.874 1.00 43.45 C ATOM 603 O ASP A 42 24.954 5.548 -6.049 1.00 0.50 O ATOM 604 CB ASP A 42 23.263 4.177 -3.744 1.00 10.40 C ATOM 605 CG ASP A 42 23.736 4.348 -2.314 1.00 31.13 C ATOM 606 OD1 ASP A 42 23.600 5.465 -1.773 1.00 11.54 O ATOM 607 OD2 ASP A 42 24.241 3.364 -1.735 1.00 63.31 O ATOM 0 H ASP A 42 21.089 5.287 -4.086 1.00 1.30 H new ATOM 0 HA ASP A 42 23.683 6.276 -3.927 1.00 74.04 H new ATOM 0 HB2 ASP A 42 22.297 3.671 -3.746 1.00 10.40 H new ATOM 0 HB3 ASP A 42 23.961 3.534 -4.280 1.00 10.40 H new ATOM 612 N ALA A 43 22.899 5.128 -6.864 1.00 4.53 N ATOM 613 CA ALA A 43 23.354 4.995 -8.242 1.00 72.41 C ATOM 614 C ALA A 43 23.659 6.357 -8.854 1.00 51.45 C ATOM 615 O ALA A 43 22.755 7.157 -9.091 1.00 55.44 O ATOM 616 CB ALA A 43 22.311 4.262 -9.073 1.00 14.11 C ATOM 0 H ALA A 43 21.895 4.998 -6.737 1.00 4.53 H new ATOM 0 HA ALA A 43 24.276 4.413 -8.240 1.00 72.41 H new ATOM 0 HB1 ALA A 43 22.664 4.170 -10.100 1.00 14.11 H new ATOM 0 HB2 ALA A 43 22.145 3.269 -8.655 1.00 14.11 H new ATOM 0 HB3 ALA A 43 21.376 4.822 -9.059 1.00 14.11 H new ATOM 622 N GLU A 44 24.938 6.614 -9.107 1.00 45.44 N ATOM 623 CA GLU A 44 25.361 7.882 -9.691 1.00 4.12 C ATOM 624 C GLU A 44 25.222 7.855 -11.210 1.00 41.12 C ATOM 625 O GLU A 44 25.719 6.946 -11.874 1.00 3.40 O ATOM 626 CB GLU A 44 26.810 8.188 -9.306 1.00 24.11 C ATOM 627 CG GLU A 44 27.196 9.645 -9.496 1.00 41.21 C ATOM 628 CD GLU A 44 28.676 9.890 -9.277 1.00 3.44 C ATOM 629 OE1 GLU A 44 29.494 9.149 -9.860 1.00 61.30 O ATOM 630 OE2 GLU A 44 29.017 10.825 -8.521 1.00 74.11 O ATOM 0 H GLU A 44 25.699 5.962 -8.917 1.00 45.44 H new ATOM 0 HA GLU A 44 24.715 8.667 -9.298 1.00 4.12 H new ATOM 0 HB2 GLU A 44 26.966 7.913 -8.263 1.00 24.11 H new ATOM 0 HB3 GLU A 44 27.475 7.564 -9.903 1.00 24.11 H new ATOM 0 HG2 GLU A 44 26.925 9.960 -10.503 1.00 41.21 H new ATOM 0 HG3 GLU A 44 26.623 10.262 -8.804 1.00 41.21 H new ATOM 637 N GLY A 45 24.541 8.859 -11.754 1.00 51.12 N ATOM 638 CA GLY A 45 24.347 8.932 -13.191 1.00 21.34 C ATOM 639 C GLY A 45 22.928 8.595 -13.602 1.00 15.01 C ATOM 640 O GLY A 45 22.360 9.240 -14.483 1.00 60.00 O ATOM 0 H GLY A 45 24.120 9.623 -11.226 1.00 51.12 H new ATOM 0 HA2 GLY A 45 24.594 9.936 -13.537 1.00 21.34 H new ATOM 0 HA3 GLY A 45 25.037 8.247 -13.683 1.00 21.34 H new ATOM 644 N ALA A 46 22.353 7.581 -12.964 1.00 30.23 N ATOM 645 CA ALA A 46 20.991 7.160 -13.268 1.00 61.20 C ATOM 646 C ALA A 46 19.982 7.884 -12.383 1.00 60.21 C ATOM 647 O ALA A 46 20.333 8.417 -11.330 1.00 23.21 O ATOM 648 CB ALA A 46 20.855 5.653 -13.103 1.00 41.35 C ATOM 0 H ALA A 46 22.810 7.036 -12.233 1.00 30.23 H new ATOM 0 HA ALA A 46 20.779 7.422 -14.305 1.00 61.20 H new ATOM 0 HB1 ALA A 46 19.833 5.353 -13.333 1.00 41.35 H new ATOM 0 HB2 ALA A 46 21.543 5.149 -13.782 1.00 41.35 H new ATOM 0 HB3 ALA A 46 21.092 5.377 -12.076 1.00 41.35 H new ATOM 654 N THR A 47 18.726 7.900 -12.817 1.00 55.23 N ATOM 655 CA THR A 47 17.666 8.560 -12.066 1.00 13.44 C ATOM 656 C THR A 47 16.667 7.547 -11.517 1.00 43.33 C ATOM 657 O THR A 47 16.185 6.679 -12.245 1.00 44.21 O ATOM 658 CB THR A 47 16.914 9.585 -12.936 1.00 3.30 C ATOM 659 OG1 THR A 47 17.843 10.312 -13.749 1.00 34.12 O ATOM 660 CG2 THR A 47 16.124 10.555 -12.070 1.00 31.50 C ATOM 0 H THR A 47 18.418 7.463 -13.686 1.00 55.23 H new ATOM 0 HA THR A 47 18.145 9.080 -11.237 1.00 13.44 H new ATOM 0 HB THR A 47 16.217 9.044 -13.576 1.00 3.30 H new ATOM 0 HG1 THR A 47 17.357 10.960 -14.300 1.00 34.12 H new ATOM 0 HG21 THR A 47 15.602 11.269 -12.707 1.00 31.50 H new ATOM 0 HG22 THR A 47 15.398 10.002 -11.474 1.00 31.50 H new ATOM 0 HG23 THR A 47 16.805 11.090 -11.408 1.00 31.50 H new ATOM 668 N VAL A 48 16.360 7.664 -10.229 1.00 72.24 N ATOM 669 CA VAL A 48 15.417 6.759 -9.584 1.00 34.33 C ATOM 670 C VAL A 48 14.063 7.429 -9.380 1.00 53.43 C ATOM 671 O VAL A 48 13.956 8.439 -8.682 1.00 70.51 O ATOM 672 CB VAL A 48 15.947 6.274 -8.221 1.00 72.23 C ATOM 673 CG1 VAL A 48 14.927 5.374 -7.541 1.00 32.23 C ATOM 674 CG2 VAL A 48 17.275 5.553 -8.393 1.00 45.20 C ATOM 0 H VAL A 48 16.751 8.376 -9.612 1.00 72.24 H new ATOM 0 HA VAL A 48 15.299 5.901 -10.246 1.00 34.33 H new ATOM 0 HB VAL A 48 16.111 7.143 -7.584 1.00 72.23 H new ATOM 0 HG11 VAL A 48 15.319 5.041 -6.580 1.00 32.23 H new ATOM 0 HG12 VAL A 48 14.001 5.927 -7.383 1.00 32.23 H new ATOM 0 HG13 VAL A 48 14.729 4.507 -8.172 1.00 32.23 H new ATOM 0 HG21 VAL A 48 17.635 5.217 -7.421 1.00 45.20 H new ATOM 0 HG22 VAL A 48 17.139 4.692 -9.047 1.00 45.20 H new ATOM 0 HG23 VAL A 48 18.004 6.233 -8.835 1.00 45.20 H new ATOM 684 N LEU A 49 13.030 6.862 -9.994 1.00 11.40 N ATOM 685 CA LEU A 49 11.680 7.405 -9.880 1.00 65.02 C ATOM 686 C LEU A 49 10.693 6.324 -9.453 1.00 21.30 C ATOM 687 O LEU A 49 10.714 5.208 -9.973 1.00 65.31 O ATOM 688 CB LEU A 49 11.241 8.015 -11.212 1.00 41.42 C ATOM 689 CG LEU A 49 10.255 9.181 -11.124 1.00 23.04 C ATOM 690 CD1 LEU A 49 11.000 10.502 -11.003 1.00 73.33 C ATOM 691 CD2 LEU A 49 9.335 9.194 -12.335 1.00 54.02 C ATOM 0 H LEU A 49 13.101 6.027 -10.576 1.00 11.40 H new ATOM 0 HA LEU A 49 11.691 8.183 -9.117 1.00 65.02 H new ATOM 0 HB2 LEU A 49 12.130 8.356 -11.743 1.00 41.42 H new ATOM 0 HB3 LEU A 49 10.790 7.229 -11.818 1.00 41.42 H new ATOM 0 HG LEU A 49 9.644 9.049 -10.231 1.00 23.04 H new ATOM 0 HD11 LEU A 49 10.282 11.320 -10.942 1.00 73.33 H new ATOM 0 HD12 LEU A 49 11.616 10.491 -10.104 1.00 73.33 H new ATOM 0 HD13 LEU A 49 11.636 10.642 -11.877 1.00 73.33 H new ATOM 0 HD21 LEU A 49 8.640 10.030 -12.255 1.00 54.02 H new ATOM 0 HD22 LEU A 49 9.929 9.301 -13.242 1.00 54.02 H new ATOM 0 HD23 LEU A 49 8.775 8.260 -12.377 1.00 54.02 H new ATOM 703 N CYS A 50 9.827 6.662 -8.504 1.00 52.40 N ATOM 704 CA CYS A 50 8.829 5.722 -8.007 1.00 45.14 C ATOM 705 C CYS A 50 7.424 6.303 -8.132 1.00 41.50 C ATOM 706 O CYS A 50 7.231 7.516 -8.035 1.00 72.21 O ATOM 707 CB CYS A 50 9.118 5.364 -6.548 1.00 54.20 C ATOM 708 SG CYS A 50 8.193 3.917 -5.941 1.00 22.40 S ATOM 0 H CYS A 50 9.796 7.581 -8.063 1.00 52.40 H new ATOM 0 HA CYS A 50 8.884 4.818 -8.614 1.00 45.14 H new ATOM 0 HB2 CYS A 50 10.185 5.173 -6.436 1.00 54.20 H new ATOM 0 HB3 CYS A 50 8.881 6.223 -5.920 1.00 54.20 H new ATOM 713 N CYS A 51 6.446 5.431 -8.347 1.00 73.52 N ATOM 714 CA CYS A 51 5.058 5.855 -8.485 1.00 51.25 C ATOM 715 C CYS A 51 4.290 5.638 -7.185 1.00 23.43 C ATOM 716 O CYS A 51 4.596 4.742 -6.397 1.00 12.11 O ATOM 717 CB CYS A 51 4.380 5.091 -9.625 1.00 10.25 C ATOM 718 SG CYS A 51 5.506 4.618 -10.976 1.00 21.31 S ATOM 0 H CYS A 51 6.589 4.424 -8.430 1.00 73.52 H new ATOM 0 HA CYS A 51 5.052 6.920 -8.716 1.00 51.25 H new ATOM 0 HB2 CYS A 51 3.917 4.191 -9.220 1.00 10.25 H new ATOM 0 HB3 CYS A 51 3.578 5.706 -10.033 1.00 10.25 H new ATOM 723 N PRO A 52 3.269 6.476 -6.953 1.00 71.53 N ATOM 724 CA PRO A 52 2.436 6.395 -5.750 1.00 33.32 C ATOM 725 C PRO A 52 1.548 5.155 -5.741 1.00 64.43 C ATOM 726 O PRO A 52 0.906 4.848 -4.738 1.00 34.20 O ATOM 727 CB PRO A 52 1.582 7.663 -5.824 1.00 34.21 C ATOM 728 CG PRO A 52 1.528 7.999 -7.274 1.00 50.22 C ATOM 729 CD PRO A 52 2.848 7.566 -7.849 1.00 3.21 C ATOM 0 HA PRO A 52 3.036 6.321 -4.843 1.00 33.32 H new ATOM 0 HB2 PRO A 52 0.584 7.492 -5.420 1.00 34.21 H new ATOM 0 HB3 PRO A 52 2.026 8.474 -5.246 1.00 34.21 H new ATOM 0 HG2 PRO A 52 0.701 7.484 -7.763 1.00 50.22 H new ATOM 0 HG3 PRO A 52 1.370 9.067 -7.421 1.00 50.22 H new ATOM 0 HD2 PRO A 52 2.745 7.223 -8.878 1.00 3.21 H new ATOM 0 HD3 PRO A 52 3.570 8.382 -7.856 1.00 3.21 H new ATOM 737 N GLU A 53 1.519 4.446 -6.866 1.00 21.45 N ATOM 738 CA GLU A 53 0.710 3.239 -6.986 1.00 34.21 C ATOM 739 C GLU A 53 1.479 2.016 -6.495 1.00 4.13 C ATOM 740 O GLU A 53 2.618 2.128 -6.039 1.00 35.21 O ATOM 741 CB GLU A 53 0.275 3.032 -8.438 1.00 43.04 C ATOM 742 CG GLU A 53 -0.932 3.864 -8.837 1.00 41.10 C ATOM 743 CD GLU A 53 -0.633 5.350 -8.863 1.00 51.44 C ATOM 744 OE1 GLU A 53 0.073 5.797 -9.792 1.00 22.51 O ATOM 745 OE2 GLU A 53 -1.105 6.067 -7.956 1.00 43.23 O ATOM 0 H GLU A 53 2.046 4.687 -7.706 1.00 21.45 H new ATOM 0 HA GLU A 53 -0.176 3.364 -6.363 1.00 34.21 H new ATOM 0 HB2 GLU A 53 1.108 3.277 -9.096 1.00 43.04 H new ATOM 0 HB3 GLU A 53 0.046 1.978 -8.593 1.00 43.04 H new ATOM 0 HG2 GLU A 53 -1.276 3.549 -9.822 1.00 41.10 H new ATOM 0 HG3 GLU A 53 -1.747 3.673 -8.139 1.00 41.10 H new ATOM 752 N ASP A 54 0.850 0.850 -6.591 1.00 13.44 N ATOM 753 CA ASP A 54 1.474 -0.394 -6.157 1.00 3.01 C ATOM 754 C ASP A 54 2.043 -1.160 -7.347 1.00 62.01 C ATOM 755 O ASP A 54 1.449 -1.183 -8.426 1.00 33.43 O ATOM 756 CB ASP A 54 0.462 -1.265 -5.411 1.00 2.42 C ATOM 757 CG ASP A 54 -0.358 -2.130 -6.347 1.00 33.11 C ATOM 758 OD1 ASP A 54 -1.001 -1.572 -7.260 1.00 45.44 O ATOM 759 OD2 ASP A 54 -0.359 -3.366 -6.165 1.00 42.14 O ATOM 0 H ASP A 54 -0.092 0.740 -6.966 1.00 13.44 H new ATOM 0 HA ASP A 54 2.293 -0.144 -5.483 1.00 3.01 H new ATOM 0 HB2 ASP A 54 0.989 -1.902 -4.701 1.00 2.42 H new ATOM 0 HB3 ASP A 54 -0.206 -0.627 -4.832 1.00 2.42 H new ATOM 764 N LEU A 55 3.198 -1.785 -7.145 1.00 10.33 N ATOM 765 CA LEU A 55 3.849 -2.551 -8.202 1.00 33.55 C ATOM 766 C LEU A 55 4.158 -1.667 -9.405 1.00 13.41 C ATOM 767 O LEU A 55 3.688 -1.923 -10.514 1.00 44.42 O ATOM 768 CB LEU A 55 2.962 -3.722 -8.629 1.00 72.13 C ATOM 769 CG LEU A 55 2.544 -4.688 -7.520 1.00 11.11 C ATOM 770 CD1 LEU A 55 1.697 -5.817 -8.086 1.00 54.21 C ATOM 771 CD2 LEU A 55 3.768 -5.243 -6.807 1.00 63.42 C ATOM 0 H LEU A 55 3.703 -1.776 -6.259 1.00 10.33 H new ATOM 0 HA LEU A 55 4.789 -2.939 -7.810 1.00 33.55 H new ATOM 0 HB2 LEU A 55 2.061 -3.319 -9.091 1.00 72.13 H new ATOM 0 HB3 LEU A 55 3.488 -4.289 -9.397 1.00 72.13 H new ATOM 0 HG LEU A 55 1.943 -4.140 -6.795 1.00 11.11 H new ATOM 0 HD11 LEU A 55 1.409 -6.494 -7.282 1.00 54.21 H new ATOM 0 HD12 LEU A 55 0.802 -5.403 -8.550 1.00 54.21 H new ATOM 0 HD13 LEU A 55 2.272 -6.364 -8.833 1.00 54.21 H new ATOM 0 HD21 LEU A 55 3.451 -5.929 -6.021 1.00 63.42 H new ATOM 0 HD22 LEU A 55 4.395 -5.775 -7.522 1.00 63.42 H new ATOM 0 HD23 LEU A 55 4.335 -4.423 -6.367 1.00 63.42 H new ATOM 783 N CYS A 56 4.952 -0.626 -9.179 1.00 10.42 N ATOM 784 CA CYS A 56 5.326 0.297 -10.244 1.00 22.02 C ATOM 785 C CYS A 56 6.721 -0.023 -10.775 1.00 55.52 C ATOM 786 O CYS A 56 7.077 0.367 -11.886 1.00 52.52 O ATOM 787 CB CYS A 56 5.280 1.740 -9.737 1.00 31.21 C ATOM 788 SG CYS A 56 5.724 2.983 -10.992 1.00 1.31 S ATOM 0 H CYS A 56 5.349 -0.400 -8.267 1.00 10.42 H new ATOM 0 HA CYS A 56 4.611 0.182 -11.058 1.00 22.02 H new ATOM 0 HB2 CYS A 56 4.276 1.953 -9.369 1.00 31.21 H new ATOM 0 HB3 CYS A 56 5.957 1.838 -8.889 1.00 31.21 H new ATOM 793 N ASN A 57 7.505 -0.735 -9.973 1.00 34.13 N ATOM 794 CA ASN A 57 8.860 -1.107 -10.362 1.00 21.23 C ATOM 795 C ASN A 57 8.909 -2.553 -10.847 1.00 43.31 C ATOM 796 O ASN A 57 8.648 -3.483 -10.085 1.00 14.32 O ATOM 797 CB ASN A 57 9.820 -0.920 -9.185 1.00 42.52 C ATOM 798 CG ASN A 57 9.492 -1.833 -8.020 1.00 2.11 C ATOM 799 OD1 ASN A 57 8.346 -1.905 -7.577 1.00 11.44 O ATOM 800 ND2 ASN A 57 10.500 -2.536 -7.518 1.00 23.33 N ATOM 0 H ASN A 57 7.225 -1.066 -9.050 1.00 34.13 H new ATOM 0 HA ASN A 57 9.168 -0.457 -11.181 1.00 21.23 H new ATOM 0 HB2 ASN A 57 10.840 -1.112 -9.518 1.00 42.52 H new ATOM 0 HB3 ASN A 57 9.784 0.117 -8.852 1.00 42.52 H new ATOM 0 HD21 ASN A 57 10.340 -3.168 -6.733 1.00 23.33 H new ATOM 0 HD22 ASN A 57 11.434 -2.445 -7.917 1.00 23.33 H new TER 807 ASN A 57