USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=12 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 -3:sc= -25.6! USER MOD Set 1.2: A 40 CYS SG : rot 121:sc= -25.8! USER MOD Set 2.1: A 24 TYR OH : rot 45:sc=0.000489 USER MOD Set 2.2: A 26 SER OG : rot 91:sc= 1.28 USER MOD Single : A 1 LEU N :NH3+ -135:sc= 0.0523 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.011) USER MOD Single : A 4 ASN : amide:sc= -0.479 X(o=-0.48,f=0) USER MOD Single : A 5 THR OG1 : rot -42:sc= 1.19 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00064 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.849 K(o=-0.85,f=-1.4) USER MOD Single : A 23 HIS : no HD1:sc= -2.17 K(o=-2.2,f=-1.4) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot -93:sc= 0.323 USER MOD Single : A 32 LYS NZ :NH3+ 157:sc= 0.797 (180deg=0.032) USER MOD Single : A 33 SER OG : rot 39:sc= 1.09 USER MOD Single : A 37 GLN : amide:sc= -1.7 K(o=-1.7,f=-0.59) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.423 K(o=-0.42,f=-6.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.369 -0.369 0.114 1.00 25.33 N ATOM 2 CA LEU A 1 1.799 -0.454 -1.277 1.00 54.34 C ATOM 3 C LEU A 1 2.494 -1.783 -1.553 1.00 72.12 C ATOM 4 O LEU A 1 2.768 -2.553 -0.633 1.00 42.20 O ATOM 5 CB LEU A 1 2.738 0.706 -1.613 1.00 63.42 C ATOM 6 CG LEU A 1 2.614 1.283 -3.024 1.00 4.24 C ATOM 7 CD1 LEU A 1 1.357 2.130 -3.145 1.00 71.32 C ATOM 8 CD2 LEU A 1 3.847 2.103 -3.374 1.00 45.04 C ATOM 0 H1 LEU A 1 0.397 -0.000 0.155 1.00 25.33 H new ATOM 0 H2 LEU A 1 1.399 -1.315 0.545 1.00 25.33 H new ATOM 0 H3 LEU A 1 2.004 0.269 0.635 1.00 25.33 H new ATOM 0 HA LEU A 1 0.913 -0.391 -1.909 1.00 54.34 H new ATOM 0 HB2 LEU A 1 2.562 1.509 -0.897 1.00 63.42 H new ATOM 0 HB3 LEU A 1 3.765 0.370 -1.469 1.00 63.42 H new ATOM 0 HG LEU A 1 2.539 0.456 -3.730 1.00 4.24 H new ATOM 0 HD11 LEU A 1 1.285 2.532 -4.155 1.00 71.32 H new ATOM 0 HD12 LEU A 1 0.482 1.514 -2.937 1.00 71.32 H new ATOM 0 HD13 LEU A 1 1.401 2.951 -2.430 1.00 71.32 H new ATOM 0 HD21 LEU A 1 3.742 2.506 -4.381 1.00 45.04 H new ATOM 0 HD22 LEU A 1 3.952 2.923 -2.664 1.00 45.04 H new ATOM 0 HD23 LEU A 1 4.732 1.468 -3.328 1.00 45.04 H new ATOM 20 N GLN A 2 2.777 -2.044 -2.825 1.00 62.12 N ATOM 21 CA GLN A 2 3.442 -3.280 -3.221 1.00 41.12 C ATOM 22 C GLN A 2 4.591 -2.996 -4.184 1.00 13.15 C ATOM 23 O GLN A 2 4.559 -2.020 -4.934 1.00 1.02 O ATOM 24 CB GLN A 2 2.441 -4.237 -3.871 1.00 41.32 C ATOM 25 CG GLN A 2 1.767 -5.175 -2.883 1.00 62.34 C ATOM 26 CD GLN A 2 0.914 -6.226 -3.566 1.00 13.00 C ATOM 27 OE1 GLN A 2 -0.251 -6.420 -3.215 1.00 64.34 O ATOM 28 NE2 GLN A 2 1.489 -6.911 -4.547 1.00 44.44 N ATOM 0 H GLN A 2 2.556 -1.417 -3.599 1.00 62.12 H new ATOM 0 HA GLN A 2 3.850 -3.746 -2.324 1.00 41.12 H new ATOM 0 HB2 GLN A 2 1.677 -3.655 -4.386 1.00 41.32 H new ATOM 0 HB3 GLN A 2 2.956 -4.829 -4.628 1.00 41.32 H new ATOM 0 HG2 GLN A 2 2.528 -5.667 -2.278 1.00 62.34 H new ATOM 0 HG3 GLN A 2 1.145 -4.594 -2.202 1.00 62.34 H new ATOM 0 HE21 GLN A 2 2.457 -6.717 -4.805 1.00 44.44 H new ATOM 0 HE22 GLN A 2 0.963 -7.631 -5.043 1.00 44.44 H new ATOM 37 N CYS A 3 5.604 -3.854 -4.157 1.00 25.53 N ATOM 38 CA CYS A 3 6.764 -3.696 -5.026 1.00 23.34 C ATOM 39 C CYS A 3 7.144 -5.025 -5.673 1.00 25.13 C ATOM 40 O CYS A 3 6.964 -6.089 -5.082 1.00 3.23 O ATOM 41 CB CYS A 3 7.951 -3.145 -4.232 1.00 53.04 C ATOM 42 SG CYS A 3 7.512 -1.816 -3.066 1.00 21.20 S ATOM 0 H CYS A 3 5.646 -4.667 -3.542 1.00 25.53 H new ATOM 0 HA CYS A 3 6.503 -2.990 -5.814 1.00 23.34 H new ATOM 0 HB2 CYS A 3 8.414 -3.961 -3.678 1.00 53.04 H new ATOM 0 HB3 CYS A 3 8.699 -2.769 -4.930 1.00 53.04 H new ATOM 47 N ASN A 4 7.672 -4.954 -6.891 1.00 33.33 N ATOM 48 CA ASN A 4 8.077 -6.151 -7.619 1.00 22.23 C ATOM 49 C ASN A 4 9.392 -6.700 -7.074 1.00 4.22 C ATOM 50 O ASN A 4 10.176 -5.973 -6.461 1.00 74.13 O ATOM 51 CB ASN A 4 8.220 -5.842 -9.110 1.00 75.34 C ATOM 52 CG ASN A 4 6.883 -5.572 -9.775 1.00 5.11 C ATOM 53 OD1 ASN A 4 6.377 -6.398 -10.534 1.00 34.22 O ATOM 54 ND2 ASN A 4 6.307 -4.410 -9.492 1.00 15.22 N ATOM 0 H ASN A 4 7.829 -4.081 -7.394 1.00 33.33 H new ATOM 0 HA ASN A 4 7.304 -6.907 -7.484 1.00 22.23 H new ATOM 0 HB2 ASN A 4 8.868 -4.975 -9.238 1.00 75.34 H new ATOM 0 HB3 ASN A 4 8.707 -6.681 -9.607 1.00 75.34 H new ATOM 0 HD21 ASN A 4 5.408 -4.171 -9.910 1.00 15.22 H new ATOM 0 HD22 ASN A 4 6.764 -3.756 -8.857 1.00 15.22 H new ATOM 61 N THR A 5 9.630 -7.988 -7.301 1.00 74.13 N ATOM 62 CA THR A 5 10.849 -8.635 -6.833 1.00 51.04 C ATOM 63 C THR A 5 11.632 -9.237 -7.994 1.00 71.43 C ATOM 64 O THR A 5 11.081 -9.479 -9.069 1.00 41.13 O ATOM 65 CB THR A 5 10.539 -9.742 -5.808 1.00 65.33 C ATOM 66 OG1 THR A 5 9.795 -10.794 -6.433 1.00 22.11 O ATOM 67 CG2 THR A 5 9.751 -9.186 -4.632 1.00 44.21 C ATOM 0 H THR A 5 8.994 -8.604 -7.807 1.00 74.13 H new ATOM 0 HA THR A 5 11.452 -7.864 -6.353 1.00 51.04 H new ATOM 0 HB THR A 5 11.484 -10.137 -5.436 1.00 65.33 H new ATOM 0 HG1 THR A 5 9.114 -10.408 -7.022 1.00 22.11 H new ATOM 0 HG21 THR A 5 9.544 -9.986 -3.922 1.00 44.21 H new ATOM 0 HG22 THR A 5 10.333 -8.406 -4.140 1.00 44.21 H new ATOM 0 HG23 THR A 5 8.811 -8.766 -4.990 1.00 44.21 H new ATOM 75 N LEU A 6 12.919 -9.479 -7.771 1.00 40.24 N ATOM 76 CA LEU A 6 13.779 -10.055 -8.800 1.00 13.32 C ATOM 77 C LEU A 6 13.362 -11.487 -9.119 1.00 1.14 C ATOM 78 O LEU A 6 13.653 -12.003 -10.198 1.00 12.01 O ATOM 79 CB LEU A 6 15.239 -10.025 -8.346 1.00 64.24 C ATOM 80 CG LEU A 6 15.672 -11.147 -7.402 1.00 32.22 C ATOM 81 CD1 LEU A 6 17.179 -11.122 -7.198 1.00 34.41 C ATOM 82 CD2 LEU A 6 14.949 -11.029 -6.068 1.00 22.32 C ATOM 0 H LEU A 6 13.390 -9.286 -6.887 1.00 40.24 H new ATOM 0 HA LEU A 6 13.674 -9.456 -9.705 1.00 13.32 H new ATOM 0 HB2 LEU A 6 15.874 -10.057 -9.231 1.00 64.24 H new ATOM 0 HB3 LEU A 6 15.426 -9.071 -7.853 1.00 64.24 H new ATOM 0 HG LEU A 6 15.404 -12.101 -7.855 1.00 32.22 H new ATOM 0 HD11 LEU A 6 17.468 -11.928 -6.523 1.00 34.41 H new ATOM 0 HD12 LEU A 6 17.678 -11.255 -8.158 1.00 34.41 H new ATOM 0 HD13 LEU A 6 17.472 -10.165 -6.767 1.00 34.41 H new ATOM 0 HD21 LEU A 6 15.269 -11.835 -5.408 1.00 22.32 H new ATOM 0 HD22 LEU A 6 15.186 -10.069 -5.609 1.00 22.32 H new ATOM 0 HD23 LEU A 6 13.873 -11.098 -6.230 1.00 22.32 H new ATOM 94 N ASP A 7 12.678 -12.123 -8.174 1.00 2.33 N ATOM 95 CA ASP A 7 12.218 -13.495 -8.355 1.00 1.41 C ATOM 96 C ASP A 7 10.992 -13.541 -9.262 1.00 22.44 C ATOM 97 O ASP A 7 10.507 -14.616 -9.611 1.00 34.40 O ATOM 98 CB ASP A 7 11.892 -14.128 -7.002 1.00 34.52 C ATOM 99 CG ASP A 7 11.879 -15.643 -7.060 1.00 22.40 C ATOM 100 OD1 ASP A 7 12.200 -16.198 -8.132 1.00 34.13 O ATOM 101 OD2 ASP A 7 11.548 -16.274 -6.034 1.00 61.20 O ATOM 0 H ASP A 7 12.430 -11.710 -7.275 1.00 2.33 H new ATOM 0 HA ASP A 7 13.019 -14.062 -8.829 1.00 1.41 H new ATOM 0 HB2 ASP A 7 12.626 -13.802 -6.265 1.00 34.52 H new ATOM 0 HB3 ASP A 7 10.919 -13.772 -6.662 1.00 34.52 H new ATOM 106 N GLY A 8 10.496 -12.367 -9.638 1.00 53.24 N ATOM 107 CA GLY A 8 9.330 -12.296 -10.500 1.00 20.21 C ATOM 108 C GLY A 8 8.035 -12.210 -9.717 1.00 51.41 C ATOM 109 O GLY A 8 6.967 -12.005 -10.292 1.00 15.13 O ATOM 0 H GLY A 8 10.880 -11.464 -9.361 1.00 53.24 H new ATOM 0 HA2 GLY A 8 9.416 -11.426 -11.151 1.00 20.21 H new ATOM 0 HA3 GLY A 8 9.304 -13.175 -11.144 1.00 20.21 H new ATOM 113 N GLY A 9 8.129 -12.368 -8.400 1.00 43.42 N ATOM 114 CA GLY A 9 6.948 -12.305 -7.559 1.00 4.40 C ATOM 115 C GLY A 9 6.685 -10.908 -7.033 1.00 1.40 C ATOM 116 O GLY A 9 7.442 -9.977 -7.312 1.00 62.31 O ATOM 0 H GLY A 9 9.002 -12.538 -7.901 1.00 43.42 H new ATOM 0 HA2 GLY A 9 6.082 -12.645 -8.128 1.00 4.40 H new ATOM 0 HA3 GLY A 9 7.067 -12.990 -6.719 1.00 4.40 H new ATOM 120 N THR A 10 5.607 -10.758 -6.270 1.00 12.42 N ATOM 121 CA THR A 10 5.244 -9.464 -5.706 1.00 14.21 C ATOM 122 C THR A 10 5.453 -9.444 -4.196 1.00 42.41 C ATOM 123 O THR A 10 5.245 -10.449 -3.519 1.00 24.54 O ATOM 124 CB THR A 10 3.777 -9.109 -6.014 1.00 13.51 C ATOM 125 OG1 THR A 10 2.956 -10.276 -5.900 1.00 73.24 O ATOM 126 CG2 THR A 10 3.644 -8.523 -7.412 1.00 12.25 C ATOM 0 H THR A 10 4.970 -11.517 -6.028 1.00 12.42 H new ATOM 0 HA THR A 10 5.895 -8.723 -6.170 1.00 14.21 H new ATOM 0 HB THR A 10 3.448 -8.362 -5.292 1.00 13.51 H new ATOM 0 HG1 THR A 10 2.025 -10.041 -6.096 1.00 73.24 H new ATOM 0 HG21 THR A 10 2.599 -8.280 -7.607 1.00 12.25 H new ATOM 0 HG22 THR A 10 4.247 -7.618 -7.486 1.00 12.25 H new ATOM 0 HG23 THR A 10 3.990 -9.251 -8.146 1.00 12.25 H new ATOM 134 N GLU A 11 5.865 -8.292 -3.676 1.00 2.23 N ATOM 135 CA GLU A 11 6.103 -8.142 -2.245 1.00 33.32 C ATOM 136 C GLU A 11 5.369 -6.922 -1.696 1.00 44.32 C ATOM 137 O GLU A 11 5.202 -5.921 -2.393 1.00 34.43 O ATOM 138 CB GLU A 11 7.602 -8.019 -1.964 1.00 72.12 C ATOM 139 CG GLU A 11 8.235 -6.779 -2.572 1.00 12.32 C ATOM 140 CD GLU A 11 9.491 -6.347 -1.841 1.00 23.22 C ATOM 141 OE1 GLU A 11 9.403 -6.064 -0.628 1.00 3.34 O ATOM 142 OE2 GLU A 11 10.562 -6.293 -2.481 1.00 51.21 O ATOM 0 H GLU A 11 6.041 -7.450 -4.224 1.00 2.23 H new ATOM 0 HA GLU A 11 5.719 -9.031 -1.744 1.00 33.32 H new ATOM 0 HB2 GLU A 11 7.761 -8.007 -0.886 1.00 72.12 H new ATOM 0 HB3 GLU A 11 8.109 -8.903 -2.351 1.00 72.12 H new ATOM 0 HG2 GLU A 11 8.476 -6.974 -3.617 1.00 12.32 H new ATOM 0 HG3 GLU A 11 7.512 -5.963 -2.559 1.00 12.32 H new ATOM 149 N GLU A 12 4.935 -7.013 -0.443 1.00 73.52 N ATOM 150 CA GLU A 12 4.218 -5.917 0.198 1.00 22.32 C ATOM 151 C GLU A 12 5.191 -4.945 0.859 1.00 14.23 C ATOM 152 O GLU A 12 5.955 -5.321 1.748 1.00 63.40 O ATOM 153 CB GLU A 12 3.236 -6.460 1.239 1.00 63.13 C ATOM 154 CG GLU A 12 3.905 -7.243 2.356 1.00 33.30 C ATOM 155 CD GLU A 12 2.908 -7.986 3.225 1.00 63.55 C ATOM 156 OE1 GLU A 12 2.195 -8.863 2.693 1.00 0.12 O ATOM 157 OE2 GLU A 12 2.842 -7.691 4.436 1.00 24.23 O ATOM 0 H GLU A 12 5.067 -7.834 0.148 1.00 73.52 H new ATOM 0 HA GLU A 12 3.661 -5.381 -0.571 1.00 22.32 H new ATOM 0 HB2 GLU A 12 2.681 -5.628 1.672 1.00 63.13 H new ATOM 0 HB3 GLU A 12 2.510 -7.102 0.741 1.00 63.13 H new ATOM 0 HG2 GLU A 12 4.608 -7.956 1.925 1.00 33.30 H new ATOM 0 HG3 GLU A 12 4.485 -6.560 2.977 1.00 33.30 H new ATOM 164 N CYS A 13 5.156 -3.692 0.419 1.00 51.42 N ATOM 165 CA CYS A 13 6.034 -2.664 0.965 1.00 14.23 C ATOM 166 C CYS A 13 5.360 -1.932 2.122 1.00 15.13 C ATOM 167 O CYS A 13 4.259 -1.400 1.976 1.00 12.33 O ATOM 168 CB CYS A 13 6.425 -1.665 -0.126 1.00 11.04 C ATOM 169 SG CYS A 13 7.207 -2.426 -1.584 1.00 51.34 S ATOM 0 H CYS A 13 4.528 -3.364 -0.315 1.00 51.42 H new ATOM 0 HA CYS A 13 6.933 -3.152 1.341 1.00 14.23 H new ATOM 0 HB2 CYS A 13 5.534 -1.125 -0.445 1.00 11.04 H new ATOM 0 HB3 CYS A 13 7.109 -0.930 0.298 1.00 11.04 H new ATOM 174 N ILE A 14 6.028 -1.910 3.270 1.00 11.35 N ATOM 175 CA ILE A 14 5.495 -1.242 4.452 1.00 75.35 C ATOM 176 C ILE A 14 5.465 0.270 4.262 1.00 55.44 C ATOM 177 O ILE A 14 6.434 0.884 3.816 1.00 41.41 O ATOM 178 CB ILE A 14 6.322 -1.574 5.708 1.00 74.55 C ATOM 179 CG1 ILE A 14 6.384 -3.089 5.918 1.00 43.32 C ATOM 180 CG2 ILE A 14 5.728 -0.889 6.929 1.00 1.31 C ATOM 181 CD1 ILE A 14 7.408 -3.514 6.947 1.00 10.00 C ATOM 0 H ILE A 14 6.939 -2.347 3.407 1.00 11.35 H new ATOM 0 HA ILE A 14 4.478 -1.609 4.590 1.00 75.35 H new ATOM 0 HB ILE A 14 7.337 -1.204 5.566 1.00 74.55 H new ATOM 0 HG12 ILE A 14 5.401 -3.446 6.226 1.00 43.32 H new ATOM 0 HG13 ILE A 14 6.614 -3.570 4.968 1.00 43.32 H new ATOM 0 HG21 ILE A 14 6.323 -1.133 7.809 1.00 1.31 H new ATOM 0 HG22 ILE A 14 5.730 0.190 6.778 1.00 1.31 H new ATOM 0 HG23 ILE A 14 4.704 -1.233 7.077 1.00 1.31 H new ATOM 0 HD11 ILE A 14 7.397 -4.600 7.044 1.00 10.00 H new ATOM 0 HD12 ILE A 14 8.399 -3.188 6.631 1.00 10.00 H new ATOM 0 HD13 ILE A 14 7.167 -3.061 7.909 1.00 10.00 H new ATOM 193 N PRO A 15 4.326 0.888 4.609 1.00 34.12 N ATOM 194 CA PRO A 15 4.142 2.337 4.488 1.00 2.23 C ATOM 195 C PRO A 15 4.985 3.114 5.494 1.00 42.12 C ATOM 196 O PRO A 15 4.479 3.580 6.514 1.00 45.22 O ATOM 197 CB PRO A 15 2.652 2.531 4.777 1.00 14.50 C ATOM 198 CG PRO A 15 2.273 1.362 5.618 1.00 21.43 C ATOM 199 CD PRO A 15 3.129 0.219 5.148 1.00 65.35 C ATOM 0 HA PRO A 15 4.452 2.707 3.511 1.00 2.23 H new ATOM 0 HB2 PRO A 15 2.469 3.470 5.299 1.00 14.50 H new ATOM 0 HB3 PRO A 15 2.071 2.561 3.855 1.00 14.50 H new ATOM 0 HG2 PRO A 15 2.444 1.569 6.674 1.00 21.43 H new ATOM 0 HG3 PRO A 15 1.214 1.128 5.507 1.00 21.43 H new ATOM 0 HD2 PRO A 15 3.380 -0.457 5.965 1.00 65.35 H new ATOM 0 HD3 PRO A 15 2.624 -0.375 4.387 1.00 65.35 H new ATOM 207 N GLY A 16 6.275 3.250 5.199 1.00 54.24 N ATOM 208 CA GLY A 16 7.167 3.972 6.087 1.00 72.21 C ATOM 209 C GLY A 16 8.618 3.580 5.895 1.00 64.43 C ATOM 210 O GLY A 16 9.499 4.439 5.842 1.00 14.14 O ATOM 0 H GLY A 16 6.718 2.873 4.361 1.00 54.24 H new ATOM 0 HA2 GLY A 16 7.057 5.043 5.915 1.00 72.21 H new ATOM 0 HA3 GLY A 16 6.877 3.784 7.121 1.00 72.21 H new ATOM 214 N ILE A 17 8.869 2.279 5.791 1.00 24.01 N ATOM 215 CA ILE A 17 10.224 1.775 5.605 1.00 45.55 C ATOM 216 C ILE A 17 10.654 1.882 4.145 1.00 5.24 C ATOM 217 O ILE A 17 11.835 2.065 3.847 1.00 11.30 O ATOM 218 CB ILE A 17 10.348 0.309 6.058 1.00 34.14 C ATOM 219 CG1 ILE A 17 9.749 0.133 7.455 1.00 32.43 C ATOM 220 CG2 ILE A 17 11.804 -0.130 6.041 1.00 21.32 C ATOM 221 CD1 ILE A 17 9.813 -1.290 7.965 1.00 24.12 C ATOM 0 H ILE A 17 8.152 1.555 5.832 1.00 24.01 H new ATOM 0 HA ILE A 17 10.877 2.393 6.221 1.00 45.55 H new ATOM 0 HB ILE A 17 9.792 -0.319 5.362 1.00 34.14 H new ATOM 0 HG12 ILE A 17 10.276 0.784 8.152 1.00 32.43 H new ATOM 0 HG13 ILE A 17 8.709 0.458 7.439 1.00 32.43 H new ATOM 0 HG21 ILE A 17 11.875 -1.169 6.364 1.00 21.32 H new ATOM 0 HG22 ILE A 17 12.200 -0.036 5.030 1.00 21.32 H new ATOM 0 HG23 ILE A 17 12.382 0.500 6.717 1.00 21.32 H new ATOM 0 HD11 ILE A 17 9.371 -1.340 8.960 1.00 24.12 H new ATOM 0 HD12 ILE A 17 9.261 -1.944 7.289 1.00 24.12 H new ATOM 0 HD13 ILE A 17 10.853 -1.613 8.014 1.00 24.12 H new ATOM 233 N TYR A 18 9.689 1.768 3.240 1.00 1.12 N ATOM 234 CA TYR A 18 9.967 1.851 1.811 1.00 4.13 C ATOM 235 C TYR A 18 9.022 2.835 1.128 1.00 22.14 C ATOM 236 O TYR A 18 7.809 2.633 1.106 1.00 50.12 O ATOM 237 CB TYR A 18 9.839 0.471 1.164 1.00 24.15 C ATOM 238 CG TYR A 18 10.514 -0.631 1.950 1.00 11.10 C ATOM 239 CD1 TYR A 18 11.838 -0.512 2.355 1.00 52.31 C ATOM 240 CD2 TYR A 18 9.828 -1.791 2.287 1.00 61.35 C ATOM 241 CE1 TYR A 18 12.459 -1.516 3.072 1.00 34.02 C ATOM 242 CE2 TYR A 18 10.440 -2.800 3.005 1.00 63.12 C ATOM 243 CZ TYR A 18 11.756 -2.658 3.395 1.00 14.11 C ATOM 244 OH TYR A 18 12.369 -3.661 4.109 1.00 25.15 O ATOM 0 H TYR A 18 8.707 1.618 3.470 1.00 1.12 H new ATOM 0 HA TYR A 18 10.989 2.210 1.686 1.00 4.13 H new ATOM 0 HB2 TYR A 18 8.782 0.229 1.049 1.00 24.15 H new ATOM 0 HB3 TYR A 18 10.268 0.507 0.163 1.00 24.15 H new ATOM 0 HD1 TYR A 18 12.391 0.381 2.105 1.00 52.31 H new ATOM 0 HD2 TYR A 18 8.798 -1.906 1.982 1.00 61.35 H new ATOM 0 HE1 TYR A 18 13.489 -1.408 3.378 1.00 34.02 H new ATOM 0 HE2 TYR A 18 9.892 -3.695 3.260 1.00 63.12 H new ATOM 0 HH TYR A 18 11.735 -4.394 4.254 1.00 25.15 H new ATOM 254 N ASN A 19 9.589 3.901 0.572 1.00 70.52 N ATOM 255 CA ASN A 19 8.798 4.917 -0.112 1.00 61.05 C ATOM 256 C ASN A 19 9.197 5.019 -1.582 1.00 21.24 C ATOM 257 O ASN A 19 8.510 5.656 -2.380 1.00 3.51 O ATOM 258 CB ASN A 19 8.974 6.275 0.570 1.00 34.25 C ATOM 259 CG ASN A 19 10.224 6.997 0.108 1.00 4.14 C ATOM 260 OD1 ASN A 19 10.190 7.769 -0.850 1.00 5.53 O ATOM 261 ND2 ASN A 19 11.337 6.748 0.789 1.00 11.04 N ATOM 0 H ASN A 19 10.593 4.083 0.582 1.00 70.52 H new ATOM 0 HA ASN A 19 7.750 4.623 -0.057 1.00 61.05 H new ATOM 0 HB2 ASN A 19 8.102 6.897 0.366 1.00 34.25 H new ATOM 0 HB3 ASN A 19 9.018 6.133 1.650 1.00 34.25 H new ATOM 0 HD21 ASN A 19 12.210 7.204 0.524 1.00 11.04 H new ATOM 0 HD22 ASN A 19 11.319 6.100 1.577 1.00 11.04 H new ATOM 268 N VAL A 20 10.312 4.385 -1.932 1.00 11.13 N ATOM 269 CA VAL A 20 10.802 4.402 -3.305 1.00 0.42 C ATOM 270 C VAL A 20 10.790 3.003 -3.910 1.00 44.21 C ATOM 271 O VAL A 20 10.510 2.020 -3.224 1.00 1.13 O ATOM 272 CB VAL A 20 12.231 4.972 -3.384 1.00 31.05 C ATOM 273 CG1 VAL A 20 12.245 6.437 -2.974 1.00 23.20 C ATOM 274 CG2 VAL A 20 13.177 4.158 -2.514 1.00 63.45 C ATOM 0 H VAL A 20 10.893 3.853 -1.284 1.00 11.13 H new ATOM 0 HA VAL A 20 10.130 5.046 -3.873 1.00 0.42 H new ATOM 0 HB VAL A 20 12.574 4.905 -4.416 1.00 31.05 H new ATOM 0 HG11 VAL A 20 13.263 6.822 -3.036 1.00 23.20 H new ATOM 0 HG12 VAL A 20 11.599 7.008 -3.641 1.00 23.20 H new ATOM 0 HG13 VAL A 20 11.883 6.532 -1.950 1.00 23.20 H new ATOM 0 HG21 VAL A 20 14.182 4.574 -2.581 1.00 63.45 H new ATOM 0 HG22 VAL A 20 12.839 4.192 -1.478 1.00 63.45 H new ATOM 0 HG23 VAL A 20 13.189 3.124 -2.858 1.00 63.45 H new ATOM 284 N CYS A 21 11.097 2.920 -5.200 1.00 41.24 N ATOM 285 CA CYS A 21 11.122 1.642 -5.900 1.00 64.41 C ATOM 286 C CYS A 21 11.964 1.733 -7.170 1.00 54.11 C ATOM 287 O CYS A 21 11.946 2.747 -7.867 1.00 44.45 O ATOM 288 CB CYS A 21 9.700 1.199 -6.248 1.00 70.33 C ATOM 289 SG CYS A 21 8.677 2.506 -6.998 1.00 14.13 S ATOM 0 H CYS A 21 11.332 3.724 -5.782 1.00 41.24 H new ATOM 0 HA CYS A 21 11.574 0.903 -5.238 1.00 64.41 H new ATOM 0 HB2 CYS A 21 9.752 0.354 -6.935 1.00 70.33 H new ATOM 0 HB3 CYS A 21 9.210 0.844 -5.342 1.00 70.33 H new ATOM 294 N VAL A 22 12.699 0.666 -7.464 1.00 61.43 N ATOM 295 CA VAL A 22 13.546 0.624 -8.650 1.00 51.05 C ATOM 296 C VAL A 22 13.395 -0.702 -9.388 1.00 14.15 C ATOM 297 O VAL A 22 13.328 -1.765 -8.769 1.00 3.42 O ATOM 298 CB VAL A 22 15.029 0.832 -8.289 1.00 73.40 C ATOM 299 CG1 VAL A 22 15.928 0.257 -9.373 1.00 1.12 C ATOM 300 CG2 VAL A 22 15.321 2.308 -8.069 1.00 44.10 C ATOM 0 H VAL A 22 12.725 -0.181 -6.897 1.00 61.43 H new ATOM 0 HA VAL A 22 13.220 1.437 -9.299 1.00 51.05 H new ATOM 0 HB VAL A 22 15.237 0.302 -7.360 1.00 73.40 H new ATOM 0 HG11 VAL A 22 16.972 0.413 -9.101 1.00 1.12 H new ATOM 0 HG12 VAL A 22 15.736 -0.811 -9.476 1.00 1.12 H new ATOM 0 HG13 VAL A 22 15.721 0.756 -10.320 1.00 1.12 H new ATOM 0 HG21 VAL A 22 16.373 2.437 -7.815 1.00 44.10 H new ATOM 0 HG22 VAL A 22 15.097 2.863 -8.980 1.00 44.10 H new ATOM 0 HG23 VAL A 22 14.702 2.684 -7.254 1.00 44.10 H new ATOM 310 N HIS A 23 13.341 -0.633 -10.714 1.00 11.41 N ATOM 311 CA HIS A 23 13.198 -1.829 -11.537 1.00 5.52 C ATOM 312 C HIS A 23 14.315 -1.911 -12.574 1.00 13.34 C ATOM 313 O HIS A 23 14.389 -1.088 -13.486 1.00 43.25 O ATOM 314 CB HIS A 23 11.838 -1.835 -12.234 1.00 14.52 C ATOM 315 CG HIS A 23 11.688 -2.927 -13.247 1.00 25.40 C ATOM 316 ND1 HIS A 23 10.808 -2.857 -14.306 1.00 33.14 N ATOM 317 CD2 HIS A 23 12.316 -4.122 -13.360 1.00 14.41 C ATOM 318 CE1 HIS A 23 10.898 -3.961 -15.025 1.00 22.51 C ATOM 319 NE2 HIS A 23 11.807 -4.745 -14.473 1.00 33.25 N ATOM 0 H HIS A 23 13.394 0.238 -11.242 1.00 11.41 H new ATOM 0 HA HIS A 23 13.267 -2.699 -10.885 1.00 5.52 H new ATOM 0 HB2 HIS A 23 11.055 -1.938 -11.483 1.00 14.52 H new ATOM 0 HB3 HIS A 23 11.686 -0.873 -12.724 1.00 14.52 H new ATOM 0 HD2 HIS A 23 13.075 -4.512 -12.698 1.00 14.41 H new ATOM 0 HE1 HIS A 23 10.326 -4.185 -15.913 1.00 22.51 H new ATOM 0 HE2 HIS A 23 12.085 -5.664 -14.818 1.00 33.25 H new ATOM 327 N TYR A 24 15.180 -2.907 -12.426 1.00 62.40 N ATOM 328 CA TYR A 24 16.294 -3.095 -13.348 1.00 4.13 C ATOM 329 C TYR A 24 16.004 -4.224 -14.331 1.00 73.32 C ATOM 330 O TYR A 24 15.869 -5.384 -13.941 1.00 73.44 O ATOM 331 CB TYR A 24 17.579 -3.396 -12.574 1.00 11.35 C ATOM 332 CG TYR A 24 18.821 -3.389 -13.435 1.00 41.35 C ATOM 333 CD1 TYR A 24 19.080 -4.425 -14.324 1.00 75.22 C ATOM 334 CD2 TYR A 24 19.737 -2.347 -13.361 1.00 12.53 C ATOM 335 CE1 TYR A 24 20.213 -4.424 -15.113 1.00 45.43 C ATOM 336 CE2 TYR A 24 20.873 -2.336 -14.147 1.00 54.20 C ATOM 337 CZ TYR A 24 21.107 -3.377 -15.021 1.00 54.54 C ATOM 338 OH TYR A 24 22.238 -3.370 -15.805 1.00 75.24 O ATOM 0 H TYR A 24 15.132 -3.597 -11.676 1.00 62.40 H new ATOM 0 HA TYR A 24 16.425 -2.171 -13.912 1.00 4.13 H new ATOM 0 HB2 TYR A 24 17.695 -2.660 -11.778 1.00 11.35 H new ATOM 0 HB3 TYR A 24 17.485 -4.371 -12.095 1.00 11.35 H new ATOM 0 HD1 TYR A 24 18.382 -5.246 -14.399 1.00 75.22 H new ATOM 0 HD2 TYR A 24 19.558 -1.531 -12.677 1.00 12.53 H new ATOM 0 HE1 TYR A 24 20.398 -5.238 -15.798 1.00 45.43 H new ATOM 0 HE2 TYR A 24 21.574 -1.517 -14.078 1.00 54.20 H new ATOM 0 HH TYR A 24 22.003 -3.627 -16.721 1.00 75.24 H new ATOM 348 N LYS A 25 15.909 -3.877 -15.610 1.00 42.51 N ATOM 349 CA LYS A 25 15.637 -4.859 -16.653 1.00 13.14 C ATOM 350 C LYS A 25 16.681 -4.779 -17.761 1.00 61.44 C ATOM 351 O LYS A 25 16.785 -3.770 -18.458 1.00 74.14 O ATOM 352 CB LYS A 25 14.239 -4.639 -17.237 1.00 4.23 C ATOM 353 CG LYS A 25 13.913 -5.563 -18.397 1.00 51.53 C ATOM 354 CD LYS A 25 12.630 -5.147 -19.097 1.00 40.53 C ATOM 355 CE LYS A 25 11.401 -5.645 -18.352 1.00 65.40 C ATOM 356 NZ LYS A 25 10.232 -5.810 -19.259 1.00 33.03 N ATOM 0 H LYS A 25 16.017 -2.921 -15.950 1.00 42.51 H new ATOM 0 HA LYS A 25 15.685 -5.851 -16.205 1.00 13.14 H new ATOM 0 HB2 LYS A 25 13.499 -4.782 -16.450 1.00 4.23 H new ATOM 0 HB3 LYS A 25 14.152 -3.605 -17.571 1.00 4.23 H new ATOM 0 HG2 LYS A 25 14.737 -5.557 -19.111 1.00 51.53 H new ATOM 0 HG3 LYS A 25 13.815 -6.586 -18.032 1.00 51.53 H new ATOM 0 HD2 LYS A 25 12.593 -4.060 -19.176 1.00 40.53 H new ATOM 0 HD3 LYS A 25 12.625 -5.541 -20.113 1.00 40.53 H new ATOM 0 HE2 LYS A 25 11.627 -6.598 -17.874 1.00 65.40 H new ATOM 0 HE3 LYS A 25 11.148 -4.942 -17.558 1.00 65.40 H new ATOM 0 HZ1 LYS A 25 9.415 -6.151 -18.713 1.00 33.03 H new ATOM 0 HZ2 LYS A 25 10.000 -4.895 -19.696 1.00 33.03 H new ATOM 0 HZ3 LYS A 25 10.464 -6.500 -20.002 1.00 33.03 H new ATOM 370 N SER A 26 17.452 -5.851 -17.920 1.00 10.40 N ATOM 371 CA SER A 26 18.490 -5.901 -18.943 1.00 51.30 C ATOM 372 C SER A 26 18.435 -7.219 -19.709 1.00 33.23 C ATOM 373 O SER A 26 17.857 -8.198 -19.238 1.00 75.11 O ATOM 374 CB SER A 26 19.870 -5.724 -18.308 1.00 25.10 C ATOM 375 OG SER A 26 20.122 -4.363 -18.005 1.00 43.24 O ATOM 0 H SER A 26 17.377 -6.696 -17.354 1.00 10.40 H new ATOM 0 HA SER A 26 18.314 -5.086 -19.645 1.00 51.30 H new ATOM 0 HB2 SER A 26 19.934 -6.320 -17.398 1.00 25.10 H new ATOM 0 HB3 SER A 26 20.637 -6.096 -18.987 1.00 25.10 H new ATOM 0 HG SER A 26 19.820 -4.170 -17.093 1.00 43.24 H new ATOM 381 N GLU A 27 19.041 -7.235 -20.892 1.00 33.12 N ATOM 382 CA GLU A 27 19.060 -8.433 -21.723 1.00 51.35 C ATOM 383 C GLU A 27 20.046 -9.460 -21.175 1.00 35.41 C ATOM 384 O GLU A 27 20.023 -10.628 -21.565 1.00 43.34 O ATOM 385 CB GLU A 27 19.429 -8.074 -23.164 1.00 63.04 C ATOM 386 CG GLU A 27 20.797 -7.426 -23.299 1.00 11.33 C ATOM 387 CD GLU A 27 21.282 -7.379 -24.735 1.00 30.14 C ATOM 388 OE1 GLU A 27 21.076 -8.372 -25.464 1.00 2.25 O ATOM 389 OE2 GLU A 27 21.867 -6.349 -25.129 1.00 44.22 O ATOM 0 H GLU A 27 19.525 -6.433 -21.296 1.00 33.12 H new ATOM 0 HA GLU A 27 18.062 -8.870 -21.709 1.00 51.35 H new ATOM 0 HB2 GLU A 27 19.403 -8.978 -23.773 1.00 63.04 H new ATOM 0 HB3 GLU A 27 18.675 -7.397 -23.565 1.00 63.04 H new ATOM 0 HG2 GLU A 27 20.756 -6.412 -22.900 1.00 11.33 H new ATOM 0 HG3 GLU A 27 21.517 -7.977 -22.694 1.00 11.33 H new ATOM 396 N ASP A 28 20.909 -9.017 -20.268 1.00 64.32 N ATOM 397 CA ASP A 28 21.903 -9.897 -19.665 1.00 23.42 C ATOM 398 C ASP A 28 21.488 -10.298 -18.252 1.00 64.15 C ATOM 399 O ASP A 28 21.901 -11.342 -17.747 1.00 54.43 O ATOM 400 CB ASP A 28 23.270 -9.212 -19.633 1.00 63.21 C ATOM 401 CG ASP A 28 24.410 -10.183 -19.874 1.00 40.51 C ATOM 402 OD1 ASP A 28 24.709 -10.465 -21.053 1.00 2.30 O ATOM 403 OD2 ASP A 28 25.002 -10.661 -18.884 1.00 2.54 O ATOM 0 H ASP A 28 20.940 -8.054 -19.934 1.00 64.32 H new ATOM 0 HA ASP A 28 21.971 -10.798 -20.274 1.00 23.42 H new ATOM 0 HB2 ASP A 28 23.298 -8.428 -20.390 1.00 63.21 H new ATOM 0 HB3 ASP A 28 23.408 -8.727 -18.667 1.00 63.21 H new ATOM 408 N GLU A 29 20.671 -9.461 -17.621 1.00 45.31 N ATOM 409 CA GLU A 29 20.203 -9.728 -16.266 1.00 41.32 C ATOM 410 C GLU A 29 18.941 -8.926 -15.959 1.00 62.40 C ATOM 411 O GLU A 29 18.593 -7.995 -16.684 1.00 65.45 O ATOM 412 CB GLU A 29 21.295 -9.390 -15.249 1.00 43.53 C ATOM 413 CG GLU A 29 21.522 -7.897 -15.073 1.00 33.53 C ATOM 414 CD GLU A 29 22.797 -7.587 -14.314 1.00 0.33 C ATOM 415 OE1 GLU A 29 22.923 -8.036 -13.155 1.00 41.53 O ATOM 416 OE2 GLU A 29 23.669 -6.894 -14.879 1.00 64.50 O ATOM 0 H GLU A 29 20.320 -8.593 -18.026 1.00 45.31 H new ATOM 0 HA GLU A 29 19.966 -10.789 -16.194 1.00 41.32 H new ATOM 0 HB2 GLU A 29 21.029 -9.825 -14.285 1.00 43.53 H new ATOM 0 HB3 GLU A 29 22.229 -9.857 -15.563 1.00 43.53 H new ATOM 0 HG2 GLU A 29 21.562 -7.421 -16.053 1.00 33.53 H new ATOM 0 HG3 GLU A 29 20.674 -7.464 -14.543 1.00 33.53 H new ATOM 423 N GLU A 30 18.260 -9.297 -14.879 1.00 3.21 N ATOM 424 CA GLU A 30 17.036 -8.614 -14.477 1.00 5.42 C ATOM 425 C GLU A 30 16.772 -8.803 -12.986 1.00 23.41 C ATOM 426 O GLU A 30 16.700 -9.931 -12.496 1.00 3.54 O ATOM 427 CB GLU A 30 15.847 -9.132 -15.287 1.00 34.51 C ATOM 428 CG GLU A 30 14.517 -8.527 -14.871 1.00 14.20 C ATOM 429 CD GLU A 30 13.348 -9.093 -15.653 1.00 54.15 C ATOM 430 OE1 GLU A 30 13.587 -9.899 -16.577 1.00 45.31 O ATOM 431 OE2 GLU A 30 12.194 -8.730 -15.343 1.00 71.30 O ATOM 0 H GLU A 30 18.535 -10.066 -14.268 1.00 3.21 H new ATOM 0 HA GLU A 30 17.163 -7.549 -14.673 1.00 5.42 H new ATOM 0 HB2 GLU A 30 16.018 -8.921 -16.343 1.00 34.51 H new ATOM 0 HB3 GLU A 30 15.792 -10.216 -15.183 1.00 34.51 H new ATOM 0 HG2 GLU A 30 14.358 -8.705 -13.807 1.00 14.20 H new ATOM 0 HG3 GLU A 30 14.554 -7.447 -15.011 1.00 14.20 H new ATOM 438 N TYR A 31 16.629 -7.693 -12.271 1.00 22.24 N ATOM 439 CA TYR A 31 16.376 -7.736 -10.835 1.00 61.03 C ATOM 440 C TYR A 31 15.693 -6.456 -10.364 1.00 42.32 C ATOM 441 O TYR A 31 15.709 -5.438 -11.057 1.00 33.01 O ATOM 442 CB TYR A 31 17.685 -7.940 -10.071 1.00 44.22 C ATOM 443 CG TYR A 31 18.671 -6.807 -10.246 1.00 64.14 C ATOM 444 CD1 TYR A 31 18.525 -5.617 -9.544 1.00 34.45 C ATOM 445 CD2 TYR A 31 19.749 -6.926 -11.115 1.00 40.33 C ATOM 446 CE1 TYR A 31 19.423 -4.579 -9.701 1.00 35.32 C ATOM 447 CE2 TYR A 31 20.653 -5.894 -11.278 1.00 14.53 C ATOM 448 CZ TYR A 31 20.485 -4.722 -10.569 1.00 20.44 C ATOM 449 OH TYR A 31 21.382 -3.691 -10.729 1.00 22.33 O ATOM 0 H TYR A 31 16.684 -6.752 -12.662 1.00 22.24 H new ATOM 0 HA TYR A 31 15.711 -8.576 -10.634 1.00 61.03 H new ATOM 0 HB2 TYR A 31 17.463 -8.056 -9.010 1.00 44.22 H new ATOM 0 HB3 TYR A 31 18.149 -8.869 -10.403 1.00 44.22 H new ATOM 0 HD1 TYR A 31 17.695 -5.501 -8.863 1.00 34.45 H new ATOM 0 HD2 TYR A 31 19.882 -7.841 -11.673 1.00 40.33 H new ATOM 0 HE1 TYR A 31 19.294 -3.661 -9.147 1.00 35.32 H new ATOM 0 HE2 TYR A 31 21.486 -6.004 -11.956 1.00 14.53 H new ATOM 0 HH TYR A 31 21.102 -3.128 -11.481 1.00 22.33 H new ATOM 459 N LYS A 32 15.094 -6.514 -9.180 1.00 22.14 N ATOM 460 CA LYS A 32 14.406 -5.361 -8.612 1.00 5.42 C ATOM 461 C LYS A 32 14.674 -5.251 -7.114 1.00 51.41 C ATOM 462 O LYS A 32 14.594 -6.239 -6.385 1.00 73.44 O ATOM 463 CB LYS A 32 12.901 -5.463 -8.866 1.00 12.25 C ATOM 464 CG LYS A 32 12.528 -5.427 -10.338 1.00 2.14 C ATOM 465 CD LYS A 32 11.327 -6.310 -10.630 1.00 51.05 C ATOM 466 CE LYS A 32 11.534 -7.131 -11.894 1.00 34.20 C ATOM 467 NZ LYS A 32 12.135 -8.461 -11.599 1.00 33.32 N ATOM 0 H LYS A 32 15.071 -7.349 -8.594 1.00 22.14 H new ATOM 0 HA LYS A 32 14.790 -4.464 -9.098 1.00 5.42 H new ATOM 0 HB2 LYS A 32 12.529 -6.389 -8.428 1.00 12.25 H new ATOM 0 HB3 LYS A 32 12.398 -4.644 -8.352 1.00 12.25 H new ATOM 0 HG2 LYS A 32 12.307 -4.401 -10.633 1.00 2.14 H new ATOM 0 HG3 LYS A 32 13.377 -5.756 -10.938 1.00 2.14 H new ATOM 0 HD2 LYS A 32 11.151 -6.977 -9.786 1.00 51.05 H new ATOM 0 HD3 LYS A 32 10.436 -5.691 -10.739 1.00 51.05 H new ATOM 0 HE2 LYS A 32 10.578 -7.268 -12.398 1.00 34.20 H new ATOM 0 HE3 LYS A 32 12.181 -6.584 -12.580 1.00 34.20 H new ATOM 0 HZ1 LYS A 32 11.911 -9.122 -12.370 1.00 33.32 H new ATOM 0 HZ2 LYS A 32 13.167 -8.365 -11.515 1.00 33.32 H new ATOM 0 HZ3 LYS A 32 11.747 -8.827 -10.706 1.00 33.32 H new ATOM 481 N SER A 33 14.991 -4.042 -6.661 1.00 54.33 N ATOM 482 CA SER A 33 15.272 -3.803 -5.250 1.00 60.44 C ATOM 483 C SER A 33 15.288 -2.309 -4.945 1.00 10.24 C ATOM 484 O SER A 33 15.719 -1.499 -5.766 1.00 60.45 O ATOM 485 CB SER A 33 16.613 -4.429 -4.863 1.00 64.04 C ATOM 486 OG SER A 33 16.447 -5.772 -4.442 1.00 43.15 O ATOM 0 H SER A 33 15.060 -3.213 -7.251 1.00 54.33 H new ATOM 0 HA SER A 33 14.479 -4.267 -4.663 1.00 60.44 H new ATOM 0 HB2 SER A 33 17.294 -4.393 -5.714 1.00 64.04 H new ATOM 0 HB3 SER A 33 17.072 -3.848 -4.063 1.00 64.04 H new ATOM 0 HG SER A 33 15.771 -6.209 -5.001 1.00 43.15 H new ATOM 492 N CYS A 34 14.815 -1.949 -3.756 1.00 73.50 N ATOM 493 CA CYS A 34 14.773 -0.553 -3.339 1.00 70.13 C ATOM 494 C CYS A 34 14.170 -0.420 -1.944 1.00 2.32 C ATOM 495 O CYS A 34 13.985 -1.411 -1.239 1.00 13.32 O ATOM 496 CB CYS A 34 13.962 0.275 -4.338 1.00 44.02 C ATOM 497 SG CYS A 34 14.729 1.868 -4.778 1.00 55.20 S ATOM 0 H CYS A 34 14.455 -2.606 -3.064 1.00 73.50 H new ATOM 0 HA CYS A 34 15.796 -0.177 -3.311 1.00 70.13 H new ATOM 0 HB2 CYS A 34 13.818 -0.310 -5.246 1.00 44.02 H new ATOM 0 HB3 CYS A 34 12.973 0.463 -3.920 1.00 44.02 H new ATOM 0 HG CYS A 34 15.823 2.026 -4.094 1.00 55.20 H new ATOM 502 N GLY A 35 13.866 0.814 -1.552 1.00 30.02 N ATOM 503 CA GLY A 35 13.287 1.055 -0.243 1.00 24.01 C ATOM 504 C GLY A 35 13.233 2.529 0.104 1.00 13.52 C ATOM 505 O GLY A 35 12.175 3.155 0.021 1.00 61.33 O ATOM 0 H GLY A 35 14.010 1.651 -2.117 1.00 30.02 H new ATOM 0 HA2 GLY A 35 12.279 0.641 -0.213 1.00 24.01 H new ATOM 0 HA3 GLY A 35 13.871 0.528 0.512 1.00 24.01 H new ATOM 509 N ILE A 36 14.374 3.086 0.496 1.00 12.11 N ATOM 510 CA ILE A 36 14.451 4.496 0.858 1.00 52.03 C ATOM 511 C ILE A 36 15.233 5.289 -0.184 1.00 22.32 C ATOM 512 O ILE A 36 16.266 4.835 -0.676 1.00 32.32 O ATOM 513 CB ILE A 36 15.111 4.689 2.236 1.00 63.54 C ATOM 514 CG1 ILE A 36 16.333 3.777 2.372 1.00 53.12 C ATOM 515 CG2 ILE A 36 14.110 4.411 3.347 1.00 73.44 C ATOM 516 CD1 ILE A 36 17.106 3.990 3.654 1.00 12.34 C ATOM 0 H ILE A 36 15.258 2.582 0.571 1.00 12.11 H new ATOM 0 HA ILE A 36 13.427 4.867 0.900 1.00 52.03 H new ATOM 0 HB ILE A 36 15.441 5.724 2.322 1.00 63.54 H new ATOM 0 HG12 ILE A 36 16.008 2.738 2.322 1.00 53.12 H new ATOM 0 HG13 ILE A 36 16.998 3.945 1.524 1.00 53.12 H new ATOM 0 HG21 ILE A 36 14.592 4.552 4.315 1.00 73.44 H new ATOM 0 HG22 ILE A 36 13.268 5.097 3.258 1.00 73.44 H new ATOM 0 HG23 ILE A 36 13.752 3.385 3.266 1.00 73.44 H new ATOM 0 HD11 ILE A 36 17.958 3.310 3.682 1.00 12.34 H new ATOM 0 HD12 ILE A 36 17.461 5.019 3.698 1.00 12.34 H new ATOM 0 HD13 ILE A 36 16.457 3.794 4.507 1.00 12.34 H new ATOM 528 N GLN A 37 14.735 6.476 -0.513 1.00 74.12 N ATOM 529 CA GLN A 37 15.388 7.332 -1.496 1.00 1.43 C ATOM 530 C GLN A 37 16.868 7.504 -1.169 1.00 40.15 C ATOM 531 O GLN A 37 17.694 7.679 -2.065 1.00 12.32 O ATOM 532 CB GLN A 37 14.703 8.699 -1.548 1.00 3.22 C ATOM 533 CG GLN A 37 15.116 9.542 -2.744 1.00 24.41 C ATOM 534 CD GLN A 37 14.056 9.577 -3.827 1.00 22.01 C ATOM 535 OE1 GLN A 37 13.388 10.592 -4.025 1.00 11.25 O ATOM 536 NE2 GLN A 37 13.896 8.466 -4.536 1.00 24.42 N ATOM 0 H GLN A 37 13.882 6.867 -0.114 1.00 74.12 H new ATOM 0 HA GLN A 37 15.303 6.854 -2.472 1.00 1.43 H new ATOM 0 HB2 GLN A 37 13.623 8.554 -1.572 1.00 3.22 H new ATOM 0 HB3 GLN A 37 14.931 9.245 -0.633 1.00 3.22 H new ATOM 0 HG2 GLN A 37 15.325 10.559 -2.412 1.00 24.41 H new ATOM 0 HG3 GLN A 37 16.042 9.146 -3.160 1.00 24.41 H new ATOM 0 HE21 GLN A 37 14.471 7.647 -4.338 1.00 24.42 H new ATOM 0 HE22 GLN A 37 13.198 8.431 -5.279 1.00 24.42 H new ATOM 545 N GLU A 38 17.195 7.453 0.118 1.00 21.10 N ATOM 546 CA GLU A 38 18.576 7.604 0.561 1.00 10.23 C ATOM 547 C GLU A 38 19.440 6.453 0.053 1.00 13.50 C ATOM 548 O GLU A 38 20.593 6.651 -0.328 1.00 11.42 O ATOM 549 CB GLU A 38 18.640 7.669 2.089 1.00 65.33 C ATOM 550 CG GLU A 38 20.056 7.747 2.635 1.00 20.14 C ATOM 551 CD GLU A 38 20.101 8.234 4.071 1.00 41.45 C ATOM 552 OE1 GLU A 38 19.780 7.439 4.978 1.00 1.32 O ATOM 553 OE2 GLU A 38 20.458 9.412 4.285 1.00 20.24 O ATOM 0 H GLU A 38 16.523 7.308 0.872 1.00 21.10 H new ATOM 0 HA GLU A 38 18.963 8.535 0.148 1.00 10.23 H new ATOM 0 HB2 GLU A 38 18.079 8.539 2.431 1.00 65.33 H new ATOM 0 HB3 GLU A 38 18.148 6.789 2.503 1.00 65.33 H new ATOM 0 HG2 GLU A 38 20.520 6.762 2.574 1.00 20.14 H new ATOM 0 HG3 GLU A 38 20.646 8.416 2.009 1.00 20.14 H new ATOM 560 N GLU A 39 18.872 5.251 0.051 1.00 3.23 N ATOM 561 CA GLU A 39 19.591 4.069 -0.409 1.00 20.24 C ATOM 562 C GLU A 39 19.479 3.919 -1.923 1.00 61.20 C ATOM 563 O GLU A 39 20.433 3.517 -2.591 1.00 13.32 O ATOM 564 CB GLU A 39 19.049 2.815 0.281 1.00 74.15 C ATOM 565 CG GLU A 39 19.451 2.701 1.741 1.00 31.13 C ATOM 566 CD GLU A 39 18.696 1.607 2.471 1.00 74.12 C ATOM 567 OE1 GLU A 39 17.771 1.021 1.870 1.00 51.42 O ATOM 568 OE2 GLU A 39 19.030 1.337 3.643 1.00 20.53 O ATOM 0 H GLU A 39 17.918 5.070 0.362 1.00 3.23 H new ATOM 0 HA GLU A 39 20.643 4.191 -0.151 1.00 20.24 H new ATOM 0 HB2 GLU A 39 17.961 2.814 0.211 1.00 74.15 H new ATOM 0 HB3 GLU A 39 19.404 1.934 -0.254 1.00 74.15 H new ATOM 0 HG2 GLU A 39 20.521 2.503 1.805 1.00 31.13 H new ATOM 0 HG3 GLU A 39 19.273 3.654 2.238 1.00 31.13 H new ATOM 575 N CYS A 40 18.307 4.244 -2.459 1.00 24.12 N ATOM 576 CA CYS A 40 18.068 4.145 -3.894 1.00 3.25 C ATOM 577 C CYS A 40 18.886 5.185 -4.654 1.00 50.11 C ATOM 578 O CYS A 40 19.346 4.934 -5.767 1.00 64.41 O ATOM 579 CB CYS A 40 16.580 4.329 -4.198 1.00 21.45 C ATOM 580 SG CYS A 40 15.739 2.807 -4.742 1.00 44.01 S ATOM 0 H CYS A 40 17.508 4.578 -1.921 1.00 24.12 H new ATOM 0 HA CYS A 40 18.379 3.153 -4.222 1.00 3.25 H new ATOM 0 HB2 CYS A 40 16.082 4.708 -3.306 1.00 21.45 H new ATOM 0 HB3 CYS A 40 16.469 5.089 -4.971 1.00 21.45 H new ATOM 0 HG CYS A 40 14.763 2.536 -3.928 1.00 44.01 H new ATOM 585 N GLU A 41 19.062 6.353 -4.044 1.00 52.23 N ATOM 586 CA GLU A 41 19.823 7.431 -4.664 1.00 43.05 C ATOM 587 C GLU A 41 21.288 7.036 -4.832 1.00 74.24 C ATOM 588 O GLU A 41 22.020 7.643 -5.614 1.00 72.11 O ATOM 589 CB GLU A 41 19.721 8.706 -3.825 1.00 51.32 C ATOM 590 CG GLU A 41 20.445 9.895 -4.434 1.00 1.31 C ATOM 591 CD GLU A 41 19.752 11.212 -4.143 1.00 10.24 C ATOM 592 OE1 GLU A 41 18.681 11.461 -4.734 1.00 54.51 O ATOM 593 OE2 GLU A 41 20.280 11.993 -3.324 1.00 43.10 O ATOM 0 H GLU A 41 18.688 6.577 -3.122 1.00 52.23 H new ATOM 0 HA GLU A 41 19.399 7.619 -5.650 1.00 43.05 H new ATOM 0 HB2 GLU A 41 18.669 8.961 -3.693 1.00 51.32 H new ATOM 0 HB3 GLU A 41 20.129 8.512 -2.833 1.00 51.32 H new ATOM 0 HG2 GLU A 41 21.464 9.932 -4.048 1.00 1.31 H new ATOM 0 HG3 GLU A 41 20.518 9.758 -5.513 1.00 1.31 H new ATOM 600 N ASP A 42 21.707 6.015 -4.093 1.00 2.21 N ATOM 601 CA ASP A 42 23.083 5.538 -4.159 1.00 65.42 C ATOM 602 C ASP A 42 23.495 5.264 -5.603 1.00 11.54 C ATOM 603 O ASP A 42 24.669 5.372 -5.955 1.00 1.33 O ATOM 604 CB ASP A 42 23.247 4.269 -3.321 1.00 13.15 C ATOM 605 CG ASP A 42 22.950 3.010 -4.111 1.00 52.12 C ATOM 606 OD1 ASP A 42 21.842 2.914 -4.679 1.00 50.11 O ATOM 607 OD2 ASP A 42 23.825 2.120 -4.161 1.00 51.34 O ATOM 0 H ASP A 42 21.113 5.502 -3.441 1.00 2.21 H new ATOM 0 HA ASP A 42 23.730 6.317 -3.756 1.00 65.42 H new ATOM 0 HB2 ASP A 42 24.266 4.221 -2.936 1.00 13.15 H new ATOM 0 HB3 ASP A 42 22.582 4.318 -2.459 1.00 13.15 H new ATOM 612 N ALA A 43 22.520 4.909 -6.433 1.00 41.32 N ATOM 613 CA ALA A 43 22.781 4.621 -7.838 1.00 53.52 C ATOM 614 C ALA A 43 23.151 5.890 -8.599 1.00 3.11 C ATOM 615 O ALA A 43 22.298 6.525 -9.217 1.00 15.33 O ATOM 616 CB ALA A 43 21.569 3.957 -8.474 1.00 53.35 C ATOM 0 H ALA A 43 21.543 4.814 -6.157 1.00 41.32 H new ATOM 0 HA ALA A 43 23.627 3.936 -7.892 1.00 53.52 H new ATOM 0 HB1 ALA A 43 21.778 3.747 -9.523 1.00 53.35 H new ATOM 0 HB2 ALA A 43 21.351 3.024 -7.954 1.00 53.35 H new ATOM 0 HB3 ALA A 43 20.709 4.623 -8.401 1.00 53.35 H new ATOM 622 N GLU A 44 24.429 6.253 -8.548 1.00 42.04 N ATOM 623 CA GLU A 44 24.911 7.447 -9.232 1.00 51.51 C ATOM 624 C GLU A 44 24.828 7.278 -10.746 1.00 41.15 C ATOM 625 O GLU A 44 25.146 6.217 -11.282 1.00 32.13 O ATOM 626 CB GLU A 44 26.353 7.751 -8.820 1.00 52.50 C ATOM 627 CG GLU A 44 27.368 6.777 -9.393 1.00 31.32 C ATOM 628 CD GLU A 44 28.751 6.960 -8.800 1.00 24.43 C ATOM 629 OE1 GLU A 44 29.042 8.067 -8.301 1.00 62.12 O ATOM 630 OE2 GLU A 44 29.543 5.994 -8.834 1.00 43.42 O ATOM 0 H GLU A 44 25.148 5.738 -8.041 1.00 42.04 H new ATOM 0 HA GLU A 44 24.274 8.282 -8.942 1.00 51.51 H new ATOM 0 HB2 GLU A 44 26.609 8.760 -9.142 1.00 52.50 H new ATOM 0 HB3 GLU A 44 26.422 7.736 -7.732 1.00 52.50 H new ATOM 0 HG2 GLU A 44 27.030 5.757 -9.210 1.00 31.32 H new ATOM 0 HG3 GLU A 44 27.420 6.907 -10.474 1.00 31.32 H new ATOM 637 N GLY A 45 24.398 8.333 -11.432 1.00 11.44 N ATOM 638 CA GLY A 45 24.280 8.282 -12.877 1.00 71.41 C ATOM 639 C GLY A 45 22.892 7.875 -13.331 1.00 62.33 C ATOM 640 O GLY A 45 22.482 8.186 -14.449 1.00 35.12 O ATOM 0 H GLY A 45 24.129 9.223 -11.012 1.00 11.44 H new ATOM 0 HA2 GLY A 45 24.523 9.260 -13.293 1.00 71.41 H new ATOM 0 HA3 GLY A 45 25.010 7.576 -13.273 1.00 71.41 H new ATOM 644 N ALA A 46 22.168 7.175 -12.463 1.00 45.43 N ATOM 645 CA ALA A 46 20.819 6.726 -12.781 1.00 70.42 C ATOM 646 C ALA A 46 19.781 7.471 -11.948 1.00 64.34 C ATOM 647 O ALA A 46 20.032 7.823 -10.795 1.00 54.02 O ATOM 648 CB ALA A 46 20.697 5.225 -12.561 1.00 1.15 C ATOM 0 H ALA A 46 22.494 6.907 -11.534 1.00 45.43 H new ATOM 0 HA ALA A 46 20.628 6.945 -13.832 1.00 70.42 H new ATOM 0 HB1 ALA A 46 19.684 4.903 -12.802 1.00 1.15 H new ATOM 0 HB2 ALA A 46 21.406 4.704 -13.204 1.00 1.15 H new ATOM 0 HB3 ALA A 46 20.913 4.991 -11.519 1.00 1.15 H new ATOM 654 N THR A 47 18.615 7.709 -12.540 1.00 12.02 N ATOM 655 CA THR A 47 17.540 8.414 -11.853 1.00 52.12 C ATOM 656 C THR A 47 16.533 7.436 -11.259 1.00 54.30 C ATOM 657 O THR A 47 16.122 6.478 -11.914 1.00 12.03 O ATOM 658 CB THR A 47 16.804 9.378 -12.803 1.00 33.11 C ATOM 659 OG1 THR A 47 17.751 10.168 -13.530 1.00 61.33 O ATOM 660 CG2 THR A 47 15.865 10.290 -12.028 1.00 32.34 C ATOM 0 H THR A 47 18.391 7.424 -13.493 1.00 12.02 H new ATOM 0 HA THR A 47 18.001 8.989 -11.050 1.00 52.12 H new ATOM 0 HB THR A 47 16.214 8.784 -13.501 1.00 33.11 H new ATOM 0 HG1 THR A 47 17.275 10.777 -14.133 1.00 61.33 H new ATOM 0 HG21 THR A 47 15.357 10.962 -12.720 1.00 32.34 H new ATOM 0 HG22 THR A 47 15.127 9.687 -11.499 1.00 32.34 H new ATOM 0 HG23 THR A 47 16.438 10.876 -11.309 1.00 32.34 H new ATOM 668 N VAL A 48 16.137 7.684 -10.014 1.00 41.54 N ATOM 669 CA VAL A 48 15.176 6.826 -9.332 1.00 52.52 C ATOM 670 C VAL A 48 13.795 7.471 -9.294 1.00 33.14 C ATOM 671 O VAL A 48 13.614 8.545 -8.717 1.00 62.54 O ATOM 672 CB VAL A 48 15.625 6.514 -7.892 1.00 50.24 C ATOM 673 CG1 VAL A 48 14.588 5.657 -7.183 1.00 71.45 C ATOM 674 CG2 VAL A 48 16.983 5.829 -7.895 1.00 43.33 C ATOM 0 H VAL A 48 16.467 8.472 -9.458 1.00 41.54 H new ATOM 0 HA VAL A 48 15.124 5.896 -9.898 1.00 52.52 H new ATOM 0 HB VAL A 48 15.718 7.453 -7.347 1.00 50.24 H new ATOM 0 HG11 VAL A 48 14.923 5.447 -6.167 1.00 71.45 H new ATOM 0 HG12 VAL A 48 13.638 6.190 -7.149 1.00 71.45 H new ATOM 0 HG13 VAL A 48 14.459 4.719 -7.724 1.00 71.45 H new ATOM 0 HG21 VAL A 48 17.285 5.616 -6.870 1.00 43.33 H new ATOM 0 HG22 VAL A 48 16.919 4.897 -8.456 1.00 43.33 H new ATOM 0 HG23 VAL A 48 17.719 6.483 -8.362 1.00 43.33 H new ATOM 684 N LEU A 49 12.822 6.809 -9.910 1.00 33.11 N ATOM 685 CA LEU A 49 11.455 7.316 -9.946 1.00 15.51 C ATOM 686 C LEU A 49 10.467 6.254 -9.476 1.00 35.32 C ATOM 687 O LEU A 49 10.524 5.103 -9.909 1.00 75.42 O ATOM 688 CB LEU A 49 11.096 7.772 -11.361 1.00 51.05 C ATOM 689 CG LEU A 49 10.047 8.880 -11.465 1.00 33.45 C ATOM 690 CD1 LEU A 49 10.714 10.245 -11.505 1.00 5.44 C ATOM 691 CD2 LEU A 49 9.174 8.674 -12.694 1.00 14.51 C ATOM 0 H LEU A 49 12.954 5.920 -10.391 1.00 33.11 H new ATOM 0 HA LEU A 49 11.393 8.168 -9.269 1.00 15.51 H new ATOM 0 HB2 LEU A 49 12.007 8.114 -11.852 1.00 51.05 H new ATOM 0 HB3 LEU A 49 10.738 6.907 -11.920 1.00 51.05 H new ATOM 0 HG LEU A 49 9.411 8.836 -10.581 1.00 33.45 H new ATOM 0 HD11 LEU A 49 9.952 11.020 -11.579 1.00 5.44 H new ATOM 0 HD12 LEU A 49 11.295 10.393 -10.595 1.00 5.44 H new ATOM 0 HD13 LEU A 49 11.375 10.302 -12.370 1.00 5.44 H new ATOM 0 HD21 LEU A 49 8.433 9.472 -12.752 1.00 14.51 H new ATOM 0 HD22 LEU A 49 9.796 8.691 -13.589 1.00 14.51 H new ATOM 0 HD23 LEU A 49 8.666 7.712 -12.623 1.00 14.51 H new ATOM 703 N CYS A 50 9.560 6.648 -8.588 1.00 74.21 N ATOM 704 CA CYS A 50 8.557 5.731 -8.060 1.00 20.32 C ATOM 705 C CYS A 50 7.150 6.279 -8.277 1.00 53.14 C ATOM 706 O CYS A 50 6.937 7.492 -8.279 1.00 45.05 O ATOM 707 CB CYS A 50 8.796 5.485 -6.569 1.00 34.03 C ATOM 708 SG CYS A 50 8.119 3.908 -5.957 1.00 61.14 S ATOM 0 H CYS A 50 9.499 7.597 -8.219 1.00 74.21 H new ATOM 0 HA CYS A 50 8.646 4.786 -8.597 1.00 20.32 H new ATOM 0 HB2 CYS A 50 9.868 5.507 -6.375 1.00 34.03 H new ATOM 0 HB3 CYS A 50 8.353 6.303 -6.001 1.00 34.03 H new ATOM 713 N CYS A 51 6.191 5.377 -8.460 1.00 41.21 N ATOM 714 CA CYS A 51 4.804 5.769 -8.679 1.00 31.33 C ATOM 715 C CYS A 51 3.993 5.638 -7.393 1.00 13.22 C ATOM 716 O CYS A 51 4.282 4.811 -6.528 1.00 74.53 O ATOM 717 CB CYS A 51 4.177 4.910 -9.779 1.00 42.22 C ATOM 718 SG CYS A 51 5.324 4.473 -11.125 1.00 42.54 S ATOM 0 H CYS A 51 6.349 4.369 -8.461 1.00 41.21 H new ATOM 0 HA CYS A 51 4.792 6.813 -8.991 1.00 31.33 H new ATOM 0 HB2 CYS A 51 3.790 3.993 -9.333 1.00 42.22 H new ATOM 0 HB3 CYS A 51 3.325 5.443 -10.201 1.00 42.22 H new ATOM 723 N PRO A 52 2.952 6.475 -7.262 1.00 62.42 N ATOM 724 CA PRO A 52 2.077 6.472 -6.086 1.00 42.01 C ATOM 725 C PRO A 52 1.207 5.222 -6.014 1.00 22.25 C ATOM 726 O PRO A 52 0.546 4.973 -5.006 1.00 23.11 O ATOM 727 CB PRO A 52 1.209 7.717 -6.287 1.00 62.31 C ATOM 728 CG PRO A 52 1.203 7.941 -7.760 1.00 25.31 C ATOM 729 CD PRO A 52 2.550 7.487 -8.253 1.00 75.31 C ATOM 0 HA PRO A 52 2.645 6.477 -5.155 1.00 42.01 H new ATOM 0 HB2 PRO A 52 0.200 7.562 -5.906 1.00 62.31 H new ATOM 0 HB3 PRO A 52 1.621 8.576 -5.758 1.00 62.31 H new ATOM 0 HG2 PRO A 52 0.402 7.377 -8.237 1.00 25.31 H new ATOM 0 HG3 PRO A 52 1.036 8.992 -7.994 1.00 25.31 H new ATOM 0 HD2 PRO A 52 2.490 7.065 -9.256 1.00 75.31 H new ATOM 0 HD3 PRO A 52 3.261 8.312 -8.296 1.00 75.31 H new ATOM 737 N GLU A 53 1.213 4.439 -7.088 1.00 40.10 N ATOM 738 CA GLU A 53 0.423 3.215 -7.145 1.00 22.34 C ATOM 739 C GLU A 53 1.239 2.018 -6.663 1.00 11.31 C ATOM 740 O GLU A 53 2.395 2.162 -6.264 1.00 33.32 O ATOM 741 CB GLU A 53 -0.073 2.967 -8.571 1.00 22.33 C ATOM 742 CG GLU A 53 -1.170 3.922 -9.008 1.00 51.33 C ATOM 743 CD GLU A 53 -0.623 5.217 -9.577 1.00 13.41 C ATOM 744 OE1 GLU A 53 0.527 5.212 -10.063 1.00 3.24 O ATOM 745 OE2 GLU A 53 -1.345 6.235 -9.536 1.00 51.41 O ATOM 0 H GLU A 53 1.756 4.630 -7.930 1.00 40.10 H new ATOM 0 HA GLU A 53 -0.436 3.337 -6.486 1.00 22.34 H new ATOM 0 HB2 GLU A 53 0.768 3.053 -9.259 1.00 22.33 H new ATOM 0 HB3 GLU A 53 -0.442 1.944 -8.646 1.00 22.33 H new ATOM 0 HG2 GLU A 53 -1.793 3.435 -9.758 1.00 51.33 H new ATOM 0 HG3 GLU A 53 -1.812 4.146 -8.156 1.00 51.33 H new ATOM 752 N ASP A 54 0.628 0.839 -6.703 1.00 5.22 N ATOM 753 CA ASP A 54 1.297 -0.383 -6.271 1.00 50.11 C ATOM 754 C ASP A 54 1.916 -1.113 -7.459 1.00 55.34 C ATOM 755 O ASP A 54 1.382 -1.078 -8.569 1.00 71.21 O ATOM 756 CB ASP A 54 0.310 -1.302 -5.550 1.00 20.02 C ATOM 757 CG ASP A 54 -0.757 -0.530 -4.799 1.00 30.23 C ATOM 758 OD1 ASP A 54 -1.678 0.000 -5.454 1.00 54.24 O ATOM 759 OD2 ASP A 54 -0.671 -0.457 -3.555 1.00 73.32 O ATOM 0 H ASP A 54 -0.329 0.703 -7.030 1.00 5.22 H new ATOM 0 HA ASP A 54 2.095 -0.107 -5.582 1.00 50.11 H new ATOM 0 HB2 ASP A 54 -0.166 -1.961 -6.276 1.00 20.02 H new ATOM 0 HB3 ASP A 54 0.854 -1.938 -4.851 1.00 20.02 H new ATOM 764 N LEU A 55 3.044 -1.772 -7.220 1.00 51.42 N ATOM 765 CA LEU A 55 3.737 -2.509 -8.271 1.00 34.41 C ATOM 766 C LEU A 55 4.112 -1.588 -9.427 1.00 0.43 C ATOM 767 O LEU A 55 3.633 -1.755 -10.549 1.00 3.51 O ATOM 768 CB LEU A 55 2.859 -3.654 -8.781 1.00 23.12 C ATOM 769 CG LEU A 55 2.490 -4.726 -7.754 1.00 45.42 C ATOM 770 CD1 LEU A 55 1.745 -5.871 -8.422 1.00 42.32 C ATOM 771 CD2 LEU A 55 3.737 -5.238 -7.047 1.00 73.32 C ATOM 0 H LEU A 55 3.498 -1.811 -6.308 1.00 51.42 H new ATOM 0 HA LEU A 55 4.653 -2.921 -7.848 1.00 34.41 H new ATOM 0 HB2 LEU A 55 1.938 -3.229 -9.180 1.00 23.12 H new ATOM 0 HB3 LEU A 55 3.373 -4.137 -9.612 1.00 23.12 H new ATOM 0 HG LEU A 55 1.832 -4.278 -7.009 1.00 45.42 H new ATOM 0 HD11 LEU A 55 1.491 -6.624 -7.676 1.00 42.32 H new ATOM 0 HD12 LEU A 55 0.832 -5.492 -8.881 1.00 42.32 H new ATOM 0 HD13 LEU A 55 2.378 -6.319 -9.188 1.00 42.32 H new ATOM 0 HD21 LEU A 55 3.456 -6.000 -6.320 1.00 73.32 H new ATOM 0 HD22 LEU A 55 4.419 -5.669 -7.779 1.00 73.32 H new ATOM 0 HD23 LEU A 55 4.230 -4.412 -6.535 1.00 73.32 H new ATOM 783 N CYS A 56 4.973 -0.616 -9.146 1.00 3.54 N ATOM 784 CA CYS A 56 5.415 0.332 -10.161 1.00 45.42 C ATOM 785 C CYS A 56 6.792 -0.049 -10.698 1.00 50.34 C ATOM 786 O CYS A 56 7.186 0.377 -11.783 1.00 52.42 O ATOM 787 CB CYS A 56 5.455 1.749 -9.584 1.00 23.31 C ATOM 788 SG CYS A 56 5.996 3.021 -10.771 1.00 32.51 S ATOM 0 H CYS A 56 5.379 -0.464 -8.223 1.00 3.54 H new ATOM 0 HA CYS A 56 4.702 0.303 -10.985 1.00 45.42 H new ATOM 0 HB2 CYS A 56 4.462 2.009 -9.217 1.00 23.31 H new ATOM 0 HB3 CYS A 56 6.125 1.761 -8.725 1.00 23.31 H new ATOM 793 N ASN A 57 7.518 -0.854 -9.931 1.00 25.34 N ATOM 794 CA ASN A 57 8.851 -1.293 -10.329 1.00 1.02 C ATOM 795 C ASN A 57 8.861 -2.785 -10.646 1.00 35.32 C ATOM 796 O ASN A 57 8.073 -3.261 -11.464 1.00 4.23 O ATOM 797 CB ASN A 57 9.863 -0.989 -9.222 1.00 12.10 C ATOM 798 CG ASN A 57 9.678 -1.880 -8.009 1.00 14.22 C ATOM 799 OD1 ASN A 57 8.580 -1.979 -7.460 1.00 23.24 O ATOM 800 ND2 ASN A 57 10.753 -2.533 -7.585 1.00 4.33 N ATOM 0 H ASN A 57 7.206 -1.216 -9.030 1.00 25.34 H new ATOM 0 HA ASN A 57 9.132 -0.746 -11.229 1.00 1.02 H new ATOM 0 HB2 ASN A 57 10.873 -1.116 -9.612 1.00 12.10 H new ATOM 0 HB3 ASN A 57 9.766 0.054 -8.921 1.00 12.10 H new ATOM 0 HD21 ASN A 57 10.689 -3.147 -6.773 1.00 4.33 H new ATOM 0 HD22 ASN A 57 11.643 -2.421 -8.071 1.00 4.33 H new TER 807 ASN A 57