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 -26:sc= -25.4! USER MOD Set 1.2: A 40 CYS SG : rot 161:sc= -28.1! USER MOD Set 2.1: A 23 HIS : no HE2:sc= -0.353 K(o=0.64,f=-2.7) USER MOD Set 2.2: A 32 LYS NZ :NH3+ -110:sc= 0.997 (180deg=0) USER MOD Set 3.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 26 SER OG : rot 90:sc= 1.27 USER MOD Single : A 1 LEU N :NH3+ 173:sc= 0.605 (180deg=0.571) USER MOD Single : A 2 GLN : amide:sc= -0.0872 X(o=-0.087,f=0) USER MOD Single : A 4 ASN : amide:sc= -0.377 X(o=-0.38,f=0) USER MOD Single : A 5 THR OG1 : rot 56:sc= 0.511 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= -0.792 X(o=-0.79,f=-1.1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot -94:sc= 0.555 USER MOD Single : A 33 SER OG : rot 24:sc= 1.22 USER MOD Single : A 37 GLN : amide:sc= -2.51! K(o=-2.5!,f=-1.2) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.749 K(o=-0.75,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.781 -0.261 0.374 1.00 24.43 N ATOM 2 CA LEU A 1 2.071 -0.343 -1.053 1.00 63.51 C ATOM 3 C LEU A 1 2.640 -1.712 -1.415 1.00 42.44 C ATOM 4 O LEU A 1 2.823 -2.567 -0.550 1.00 11.24 O ATOM 5 CB LEU A 1 3.057 0.755 -1.457 1.00 74.44 C ATOM 6 CG LEU A 1 2.787 1.437 -2.799 1.00 3.42 C ATOM 7 CD1 LEU A 1 1.506 2.255 -2.734 1.00 24.30 C ATOM 8 CD2 LEU A 1 3.964 2.317 -3.195 1.00 50.21 C ATOM 0 H1 LEU A 1 1.508 0.713 0.617 1.00 24.43 H new ATOM 0 H2 LEU A 1 1.001 -0.908 0.607 1.00 24.43 H new ATOM 0 H3 LEU A 1 2.627 -0.529 0.916 1.00 24.43 H new ATOM 0 HA LEU A 1 1.137 -0.202 -1.597 1.00 63.51 H new ATOM 0 HB2 LEU A 1 3.060 1.518 -0.678 1.00 74.44 H new ATOM 0 HB3 LEU A 1 4.058 0.325 -1.485 1.00 74.44 H new ATOM 0 HG LEU A 1 2.663 0.666 -3.559 1.00 3.42 H new ATOM 0 HD11 LEU A 1 1.330 2.733 -3.698 1.00 24.30 H new ATOM 0 HD12 LEU A 1 0.668 1.600 -2.495 1.00 24.30 H new ATOM 0 HD13 LEU A 1 1.601 3.019 -1.962 1.00 24.30 H new ATOM 0 HD21 LEU A 1 3.755 2.795 -4.152 1.00 50.21 H new ATOM 0 HD22 LEU A 1 4.119 3.082 -2.434 1.00 50.21 H new ATOM 0 HD23 LEU A 1 4.862 1.706 -3.283 1.00 50.21 H new ATOM 20 N GLN A 2 2.920 -1.909 -2.700 1.00 34.33 N ATOM 21 CA GLN A 2 3.469 -3.173 -3.176 1.00 23.24 C ATOM 22 C GLN A 2 4.663 -2.936 -4.095 1.00 55.13 C ATOM 23 O GLN A 2 4.733 -1.921 -4.789 1.00 0.10 O ATOM 24 CB GLN A 2 2.395 -3.976 -3.911 1.00 60.21 C ATOM 25 CG GLN A 2 2.376 -5.450 -3.539 1.00 71.13 C ATOM 26 CD GLN A 2 0.970 -6.001 -3.409 1.00 14.23 C ATOM 27 OE1 GLN A 2 0.656 -6.716 -2.456 1.00 45.05 O ATOM 28 NE2 GLN A 2 0.112 -5.670 -4.367 1.00 44.43 N ATOM 0 H GLN A 2 2.776 -1.210 -3.429 1.00 34.33 H new ATOM 0 HA GLN A 2 3.808 -3.742 -2.310 1.00 23.24 H new ATOM 0 HB2 GLN A 2 1.418 -3.543 -3.696 1.00 60.21 H new ATOM 0 HB3 GLN A 2 2.555 -3.883 -4.985 1.00 60.21 H new ATOM 0 HG2 GLN A 2 2.916 -6.019 -4.296 1.00 71.13 H new ATOM 0 HG3 GLN A 2 2.905 -5.590 -2.597 1.00 71.13 H new ATOM 0 HE21 GLN A 2 0.414 -5.075 -5.139 1.00 44.43 H new ATOM 0 HE22 GLN A 2 -0.849 -6.010 -4.331 1.00 44.43 H new ATOM 37 N CYS A 3 5.599 -3.878 -4.096 1.00 63.30 N ATOM 38 CA CYS A 3 6.791 -3.772 -4.930 1.00 33.45 C ATOM 39 C CYS A 3 7.123 -5.114 -5.577 1.00 55.31 C ATOM 40 O CYS A 3 6.903 -6.171 -4.987 1.00 2.51 O ATOM 41 CB CYS A 3 7.979 -3.287 -4.097 1.00 64.43 C ATOM 42 SG CYS A 3 7.582 -1.922 -2.959 1.00 43.41 S ATOM 0 H CYS A 3 5.556 -4.724 -3.528 1.00 63.30 H new ATOM 0 HA CYS A 3 6.589 -3.048 -5.720 1.00 33.45 H new ATOM 0 HB2 CYS A 3 8.370 -4.125 -3.520 1.00 64.43 H new ATOM 0 HB3 CYS A 3 8.774 -2.965 -4.770 1.00 64.43 H new ATOM 47 N ASN A 4 7.653 -5.062 -6.795 1.00 12.53 N ATOM 48 CA ASN A 4 8.015 -6.272 -7.523 1.00 50.02 C ATOM 49 C ASN A 4 9.356 -6.817 -7.041 1.00 11.35 C ATOM 50 O ASN A 4 10.139 -6.104 -6.412 1.00 42.55 O ATOM 51 CB ASN A 4 8.078 -5.989 -9.025 1.00 52.44 C ATOM 52 CG ASN A 4 6.722 -5.634 -9.604 1.00 53.21 C ATOM 53 OD1 ASN A 4 6.078 -6.456 -10.256 1.00 20.32 O ATOM 54 ND2 ASN A 4 6.281 -4.403 -9.368 1.00 24.41 N ATOM 0 H ASN A 4 7.841 -4.195 -7.298 1.00 12.53 H new ATOM 0 HA ASN A 4 7.248 -7.023 -7.333 1.00 50.02 H new ATOM 0 HB2 ASN A 4 8.774 -5.171 -9.209 1.00 52.44 H new ATOM 0 HB3 ASN A 4 8.472 -6.865 -9.541 1.00 52.44 H new ATOM 0 HD21 ASN A 4 5.375 -4.107 -9.732 1.00 24.41 H new ATOM 0 HD22 ASN A 4 6.848 -3.754 -8.822 1.00 24.41 H new ATOM 61 N THR A 5 9.615 -8.086 -7.339 1.00 32.23 N ATOM 62 CA THR A 5 10.860 -8.727 -6.936 1.00 31.45 C ATOM 63 C THR A 5 11.614 -9.272 -8.143 1.00 60.01 C ATOM 64 O THR A 5 11.050 -9.410 -9.230 1.00 3.04 O ATOM 65 CB THR A 5 10.604 -9.877 -5.943 1.00 72.31 C ATOM 66 OG1 THR A 5 9.206 -9.965 -5.645 1.00 70.22 O ATOM 67 CG2 THR A 5 11.389 -9.667 -4.657 1.00 63.43 C ATOM 0 H THR A 5 8.979 -8.691 -7.858 1.00 32.23 H new ATOM 0 HA THR A 5 11.465 -7.963 -6.448 1.00 31.45 H new ATOM 0 HB THR A 5 10.936 -10.807 -6.405 1.00 72.31 H new ATOM 0 HG1 THR A 5 8.700 -10.064 -6.478 1.00 70.22 H new ATOM 0 HG21 THR A 5 11.192 -10.491 -3.972 1.00 63.43 H new ATOM 0 HG22 THR A 5 12.455 -9.630 -4.883 1.00 63.43 H new ATOM 0 HG23 THR A 5 11.084 -8.729 -4.193 1.00 63.43 H new ATOM 75 N LEU A 6 12.891 -9.581 -7.947 1.00 41.10 N ATOM 76 CA LEU A 6 13.723 -10.112 -9.021 1.00 24.10 C ATOM 77 C LEU A 6 13.250 -11.500 -9.441 1.00 50.12 C ATOM 78 O LEU A 6 13.468 -11.924 -10.576 1.00 54.44 O ATOM 79 CB LEU A 6 15.186 -10.172 -8.577 1.00 70.40 C ATOM 80 CG LEU A 6 15.557 -11.324 -7.642 1.00 72.44 C ATOM 81 CD1 LEU A 6 16.047 -12.523 -8.441 1.00 2.55 C ATOM 82 CD2 LEU A 6 16.613 -10.880 -6.641 1.00 12.00 C ATOM 0 H LEU A 6 13.373 -9.473 -7.054 1.00 41.10 H new ATOM 0 HA LEU A 6 13.637 -9.444 -9.878 1.00 24.10 H new ATOM 0 HB2 LEU A 6 15.812 -10.236 -9.467 1.00 70.40 H new ATOM 0 HB3 LEU A 6 15.433 -9.234 -8.081 1.00 70.40 H new ATOM 0 HG LEU A 6 14.665 -11.621 -7.090 1.00 72.44 H new ATOM 0 HD11 LEU A 6 16.306 -13.333 -7.759 1.00 2.55 H new ATOM 0 HD12 LEU A 6 15.260 -12.856 -9.117 1.00 2.55 H new ATOM 0 HD13 LEU A 6 16.926 -12.240 -9.020 1.00 2.55 H new ATOM 0 HD21 LEU A 6 16.865 -11.713 -5.984 1.00 12.00 H new ATOM 0 HD22 LEU A 6 17.507 -10.556 -7.174 1.00 12.00 H new ATOM 0 HD23 LEU A 6 16.226 -10.053 -6.046 1.00 12.00 H new ATOM 94 N ASP A 7 12.600 -12.202 -8.519 1.00 41.34 N ATOM 95 CA ASP A 7 12.092 -13.541 -8.795 1.00 4.31 C ATOM 96 C ASP A 7 10.820 -13.477 -9.634 1.00 33.44 C ATOM 97 O ASP A 7 10.287 -14.505 -10.051 1.00 24.01 O ATOM 98 CB ASP A 7 11.820 -14.285 -7.487 1.00 34.10 C ATOM 99 CG ASP A 7 11.380 -15.718 -7.717 1.00 2.31 C ATOM 100 OD1 ASP A 7 12.255 -16.574 -7.964 1.00 51.34 O ATOM 101 OD2 ASP A 7 10.161 -15.983 -7.650 1.00 44.12 O ATOM 0 H ASP A 7 12.413 -11.866 -7.574 1.00 41.34 H new ATOM 0 HA ASP A 7 12.851 -14.082 -9.360 1.00 4.31 H new ATOM 0 HB2 ASP A 7 12.722 -14.279 -6.874 1.00 34.10 H new ATOM 0 HB3 ASP A 7 11.049 -13.757 -6.925 1.00 34.10 H new ATOM 106 N GLY A 8 10.336 -12.263 -9.876 1.00 2.33 N ATOM 107 CA GLY A 8 9.129 -12.088 -10.662 1.00 41.12 C ATOM 108 C GLY A 8 7.881 -12.034 -9.804 1.00 73.31 C ATOM 109 O GLY A 8 6.792 -11.744 -10.297 1.00 51.35 O ATOM 0 H GLY A 8 10.759 -11.397 -9.542 1.00 2.33 H new ATOM 0 HA2 GLY A 8 9.207 -11.169 -11.242 1.00 41.12 H new ATOM 0 HA3 GLY A 8 9.041 -12.908 -11.375 1.00 41.12 H new ATOM 113 N GLY A 9 8.038 -12.317 -8.514 1.00 61.14 N ATOM 114 CA GLY A 9 6.906 -12.296 -7.607 1.00 31.02 C ATOM 115 C GLY A 9 6.609 -10.905 -7.082 1.00 24.20 C ATOM 116 O GLY A 9 7.305 -9.945 -7.415 1.00 64.43 O ATOM 0 H GLY A 9 8.929 -12.560 -8.082 1.00 61.14 H new ATOM 0 HA2 GLY A 9 6.026 -12.683 -8.121 1.00 31.02 H new ATOM 0 HA3 GLY A 9 7.104 -12.963 -6.768 1.00 31.02 H new ATOM 120 N THR A 10 5.571 -10.794 -6.259 1.00 4.32 N ATOM 121 CA THR A 10 5.182 -9.510 -5.689 1.00 42.01 C ATOM 122 C THR A 10 5.357 -9.505 -4.175 1.00 14.13 C ATOM 123 O THR A 10 5.145 -10.521 -3.514 1.00 14.34 O ATOM 124 CB THR A 10 3.719 -9.166 -6.027 1.00 43.31 C ATOM 125 OG1 THR A 10 2.917 -10.351 -5.993 1.00 14.04 O ATOM 126 CG2 THR A 10 3.619 -8.519 -7.400 1.00 60.04 C ATOM 0 H THR A 10 4.985 -11.578 -5.972 1.00 4.32 H new ATOM 0 HA THR A 10 5.836 -8.757 -6.130 1.00 42.01 H new ATOM 0 HB THR A 10 3.353 -8.459 -5.282 1.00 43.31 H new ATOM 0 HG1 THR A 10 1.988 -10.124 -6.207 1.00 14.04 H new ATOM 0 HG21 THR A 10 2.577 -8.285 -7.617 1.00 60.04 H new ATOM 0 HG22 THR A 10 4.207 -7.602 -7.414 1.00 60.04 H new ATOM 0 HG23 THR A 10 4.001 -9.206 -8.155 1.00 60.04 H new ATOM 134 N GLU A 11 5.744 -8.355 -3.632 1.00 15.30 N ATOM 135 CA GLU A 11 5.946 -8.219 -2.194 1.00 62.13 C ATOM 136 C GLU A 11 5.240 -6.976 -1.660 1.00 61.22 C ATOM 137 O GLU A 11 5.136 -5.964 -2.352 1.00 73.22 O ATOM 138 CB GLU A 11 7.440 -8.149 -1.872 1.00 2.51 C ATOM 139 CG GLU A 11 8.135 -6.935 -2.467 1.00 34.02 C ATOM 140 CD GLU A 11 9.421 -6.586 -1.743 1.00 54.31 C ATOM 141 OE1 GLU A 11 9.438 -6.661 -0.497 1.00 3.25 O ATOM 142 OE2 GLU A 11 10.409 -6.237 -2.423 1.00 35.15 O ATOM 0 H GLU A 11 5.924 -7.505 -4.166 1.00 15.30 H new ATOM 0 HA GLU A 11 5.517 -9.095 -1.708 1.00 62.13 H new ATOM 0 HB2 GLU A 11 7.570 -8.137 -0.790 1.00 2.51 H new ATOM 0 HB3 GLU A 11 7.925 -9.052 -2.241 1.00 2.51 H new ATOM 0 HG2 GLU A 11 8.354 -7.125 -3.518 1.00 34.02 H new ATOM 0 HG3 GLU A 11 7.459 -6.081 -2.432 1.00 34.02 H new ATOM 149 N GLU A 12 4.757 -7.062 -0.425 1.00 30.23 N ATOM 150 CA GLU A 12 4.060 -5.945 0.202 1.00 74.24 C ATOM 151 C GLU A 12 5.042 -5.022 0.915 1.00 4.54 C ATOM 152 O GLU A 12 5.758 -5.442 1.825 1.00 44.41 O ATOM 153 CB GLU A 12 3.014 -6.459 1.193 1.00 31.32 C ATOM 154 CG GLU A 12 3.602 -7.287 2.324 1.00 42.51 C ATOM 155 CD GLU A 12 2.539 -7.983 3.152 1.00 43.25 C ATOM 156 OE1 GLU A 12 1.340 -7.724 2.917 1.00 24.43 O ATOM 157 OE2 GLU A 12 2.907 -8.787 4.034 1.00 44.34 O ATOM 0 H GLU A 12 4.835 -7.893 0.161 1.00 30.23 H new ATOM 0 HA GLU A 12 3.559 -5.377 -0.582 1.00 74.24 H new ATOM 0 HB2 GLU A 12 2.479 -5.609 1.616 1.00 31.32 H new ATOM 0 HB3 GLU A 12 2.282 -7.062 0.656 1.00 31.32 H new ATOM 0 HG2 GLU A 12 4.280 -8.033 1.909 1.00 42.51 H new ATOM 0 HG3 GLU A 12 4.196 -6.641 2.971 1.00 42.51 H new ATOM 164 N CYS A 13 5.072 -3.761 0.496 1.00 13.11 N ATOM 165 CA CYS A 13 5.966 -2.777 1.093 1.00 43.42 C ATOM 166 C CYS A 13 5.212 -1.876 2.067 1.00 21.10 C ATOM 167 O CYS A 13 4.370 -1.074 1.662 1.00 70.21 O ATOM 168 CB CYS A 13 6.625 -1.929 0.003 1.00 1.51 C ATOM 169 SG CYS A 13 7.759 -2.858 -1.078 1.00 42.32 S ATOM 0 H CYS A 13 4.486 -3.397 -0.256 1.00 13.11 H new ATOM 0 HA CYS A 13 6.738 -3.313 1.645 1.00 43.42 H new ATOM 0 HB2 CYS A 13 5.846 -1.475 -0.610 1.00 1.51 H new ATOM 0 HB3 CYS A 13 7.175 -1.114 0.474 1.00 1.51 H new ATOM 174 N ILE A 14 5.521 -2.015 3.352 1.00 53.31 N ATOM 175 CA ILE A 14 4.874 -1.213 4.383 1.00 35.32 C ATOM 176 C ILE A 14 5.362 0.231 4.345 1.00 70.35 C ATOM 177 O ILE A 14 6.529 0.510 4.070 1.00 2.33 O ATOM 178 CB ILE A 14 5.127 -1.792 5.788 1.00 44.22 C ATOM 179 CG1 ILE A 14 6.630 -1.938 6.039 1.00 74.30 C ATOM 180 CG2 ILE A 14 4.426 -3.133 5.943 1.00 13.30 C ATOM 181 CD1 ILE A 14 6.967 -2.368 7.450 1.00 43.35 C ATOM 0 H ILE A 14 6.215 -2.675 3.704 1.00 53.31 H new ATOM 0 HA ILE A 14 3.804 -1.237 4.176 1.00 35.32 H new ATOM 0 HB ILE A 14 4.718 -1.104 6.528 1.00 44.22 H new ATOM 0 HG12 ILE A 14 7.038 -2.666 5.338 1.00 74.30 H new ATOM 0 HG13 ILE A 14 7.119 -0.986 5.831 1.00 74.30 H new ATOM 0 HG21 ILE A 14 4.614 -3.529 6.941 1.00 13.30 H new ATOM 0 HG22 ILE A 14 3.353 -3.001 5.802 1.00 13.30 H new ATOM 0 HG23 ILE A 14 4.807 -3.831 5.198 1.00 13.30 H new ATOM 0 HD11 ILE A 14 8.049 -2.451 7.556 1.00 43.35 H new ATOM 0 HD12 ILE A 14 6.589 -1.629 8.156 1.00 43.35 H new ATOM 0 HD13 ILE A 14 6.507 -3.334 7.656 1.00 43.35 H new ATOM 193 N PRO A 15 4.449 1.172 4.627 1.00 21.14 N ATOM 194 CA PRO A 15 4.764 2.604 4.634 1.00 70.41 C ATOM 195 C PRO A 15 5.669 2.993 5.798 1.00 62.33 C ATOM 196 O PRO A 15 5.489 2.524 6.921 1.00 70.33 O ATOM 197 CB PRO A 15 3.392 3.268 4.778 1.00 64.21 C ATOM 198 CG PRO A 15 2.545 2.244 5.451 1.00 13.32 C ATOM 199 CD PRO A 15 3.039 0.911 4.963 1.00 23.21 C ATOM 0 HA PRO A 15 5.307 2.906 3.739 1.00 70.41 H new ATOM 0 HB2 PRO A 15 3.454 4.181 5.370 1.00 64.21 H new ATOM 0 HB3 PRO A 15 2.982 3.545 3.807 1.00 64.21 H new ATOM 0 HG2 PRO A 15 2.630 2.319 6.535 1.00 13.32 H new ATOM 0 HG3 PRO A 15 1.493 2.384 5.204 1.00 13.32 H new ATOM 0 HD2 PRO A 15 2.944 0.142 5.730 1.00 23.21 H new ATOM 0 HD3 PRO A 15 2.476 0.567 4.095 1.00 23.21 H new ATOM 207 N GLY A 16 6.644 3.854 5.521 1.00 14.25 N ATOM 208 CA GLY A 16 7.562 4.292 6.556 1.00 22.12 C ATOM 209 C GLY A 16 8.998 3.912 6.255 1.00 45.31 C ATOM 210 O GLY A 16 9.883 4.768 6.240 1.00 44.43 O ATOM 0 H GLY A 16 6.814 4.256 4.599 1.00 14.25 H new ATOM 0 HA2 GLY A 16 7.491 5.374 6.666 1.00 22.12 H new ATOM 0 HA3 GLY A 16 7.266 3.854 7.509 1.00 22.12 H new ATOM 214 N ILE A 17 9.231 2.626 6.016 1.00 2.12 N ATOM 215 CA ILE A 17 10.570 2.136 5.715 1.00 63.23 C ATOM 216 C ILE A 17 10.843 2.168 4.215 1.00 73.34 C ATOM 217 O ILE A 17 11.919 2.575 3.777 1.00 11.40 O ATOM 218 CB ILE A 17 10.773 0.699 6.231 1.00 4.25 C ATOM 219 CG1 ILE A 17 10.376 0.604 7.706 1.00 63.50 C ATOM 220 CG2 ILE A 17 12.219 0.266 6.037 1.00 32.13 C ATOM 221 CD1 ILE A 17 8.976 0.073 7.921 1.00 23.15 C ATOM 0 H ILE A 17 8.510 1.905 6.025 1.00 2.12 H new ATOM 0 HA ILE A 17 11.270 2.799 6.224 1.00 63.23 H new ATOM 0 HB ILE A 17 10.133 0.028 5.657 1.00 4.25 H new ATOM 0 HG12 ILE A 17 11.085 -0.042 8.224 1.00 63.50 H new ATOM 0 HG13 ILE A 17 10.455 1.592 8.160 1.00 63.50 H new ATOM 0 HG21 ILE A 17 12.347 -0.751 6.406 1.00 32.13 H new ATOM 0 HG22 ILE A 17 12.470 0.301 4.977 1.00 32.13 H new ATOM 0 HG23 ILE A 17 12.877 0.938 6.589 1.00 32.13 H new ATOM 0 HD11 ILE A 17 8.762 0.033 8.989 1.00 23.15 H new ATOM 0 HD12 ILE A 17 8.258 0.731 7.432 1.00 23.15 H new ATOM 0 HD13 ILE A 17 8.898 -0.928 7.497 1.00 23.15 H new ATOM 233 N TYR A 18 9.860 1.737 3.431 1.00 22.34 N ATOM 234 CA TYR A 18 9.994 1.715 1.980 1.00 54.13 C ATOM 235 C TYR A 18 9.027 2.700 1.329 1.00 35.50 C ATOM 236 O TYR A 18 7.813 2.499 1.347 1.00 20.54 O ATOM 237 CB TYR A 18 9.740 0.305 1.444 1.00 24.11 C ATOM 238 CG TYR A 18 10.491 -0.772 2.195 1.00 45.34 C ATOM 239 CD1 TYR A 18 11.843 -0.631 2.483 1.00 45.44 C ATOM 240 CD2 TYR A 18 9.850 -1.930 2.615 1.00 73.13 C ATOM 241 CE1 TYR A 18 12.534 -1.612 3.167 1.00 1.24 C ATOM 242 CE2 TYR A 18 10.532 -2.916 3.301 1.00 11.32 C ATOM 243 CZ TYR A 18 11.874 -2.752 3.575 1.00 71.20 C ATOM 244 OH TYR A 18 12.557 -3.732 4.257 1.00 23.44 O ATOM 0 H TYR A 18 8.962 1.398 3.777 1.00 22.34 H new ATOM 0 HA TYR A 18 11.012 2.013 1.730 1.00 54.13 H new ATOM 0 HB2 TYR A 18 8.672 0.093 1.493 1.00 24.11 H new ATOM 0 HB3 TYR A 18 10.024 0.268 0.392 1.00 24.11 H new ATOM 0 HD1 TYR A 18 12.363 0.261 2.166 1.00 45.44 H new ATOM 0 HD2 TYR A 18 8.800 -2.062 2.401 1.00 73.13 H new ATOM 0 HE1 TYR A 18 13.585 -1.487 3.381 1.00 1.24 H new ATOM 0 HE2 TYR A 18 10.018 -3.810 3.621 1.00 11.32 H new ATOM 0 HH TYR A 18 11.946 -4.467 4.472 1.00 23.44 H new ATOM 254 N ASN A 19 9.575 3.765 0.754 1.00 71.34 N ATOM 255 CA ASN A 19 8.762 4.782 0.096 1.00 20.33 C ATOM 256 C ASN A 19 9.129 4.901 -1.380 1.00 11.12 C ATOM 257 O ASN A 19 8.403 5.513 -2.164 1.00 32.44 O ATOM 258 CB ASN A 19 8.942 6.134 0.789 1.00 53.10 C ATOM 259 CG ASN A 19 10.171 6.875 0.300 1.00 50.41 C ATOM 260 OD1 ASN A 19 10.086 7.722 -0.590 1.00 12.13 O ATOM 261 ND2 ASN A 19 11.323 6.559 0.881 1.00 55.03 N ATOM 0 H ASN A 19 10.578 3.947 0.730 1.00 71.34 H new ATOM 0 HA ASN A 19 7.717 4.480 0.168 1.00 20.33 H new ATOM 0 HB2 ASN A 19 8.058 6.748 0.616 1.00 53.10 H new ATOM 0 HB3 ASN A 19 9.018 5.980 1.865 1.00 53.10 H new ATOM 0 HD21 ASN A 19 12.184 7.025 0.593 1.00 55.03 H new ATOM 0 HD22 ASN A 19 11.347 5.851 1.615 1.00 55.03 H new ATOM 268 N VAL A 20 10.261 4.312 -1.752 1.00 72.11 N ATOM 269 CA VAL A 20 10.724 4.350 -3.134 1.00 51.21 C ATOM 270 C VAL A 20 10.743 2.954 -3.746 1.00 55.14 C ATOM 271 O VAL A 20 10.499 1.960 -3.061 1.00 42.32 O ATOM 272 CB VAL A 20 12.133 4.963 -3.237 1.00 24.31 C ATOM 273 CG1 VAL A 20 12.100 6.442 -2.884 1.00 21.23 C ATOM 274 CG2 VAL A 20 13.106 4.213 -2.339 1.00 42.50 C ATOM 0 H VAL A 20 10.874 3.803 -1.116 1.00 72.11 H new ATOM 0 HA VAL A 20 10.022 4.976 -3.686 1.00 51.21 H new ATOM 0 HB VAL A 20 12.477 4.869 -4.267 1.00 24.31 H new ATOM 0 HG11 VAL A 20 13.105 6.857 -2.963 1.00 21.23 H new ATOM 0 HG12 VAL A 20 11.436 6.966 -3.572 1.00 21.23 H new ATOM 0 HG13 VAL A 20 11.735 6.565 -1.864 1.00 21.23 H new ATOM 0 HG21 VAL A 20 14.097 4.659 -2.424 1.00 42.50 H new ATOM 0 HG22 VAL A 20 12.768 4.274 -1.305 1.00 42.50 H new ATOM 0 HG23 VAL A 20 13.151 3.168 -2.645 1.00 42.50 H new ATOM 284 N CYS A 21 11.033 2.886 -5.041 1.00 63.22 N ATOM 285 CA CYS A 21 11.084 1.612 -5.748 1.00 22.42 C ATOM 286 C CYS A 21 11.928 1.725 -7.014 1.00 52.33 C ATOM 287 O CYS A 21 11.900 2.746 -7.703 1.00 35.53 O ATOM 288 CB CYS A 21 9.671 1.145 -6.103 1.00 62.22 C ATOM 289 SG CYS A 21 8.626 2.438 -6.848 1.00 23.02 S ATOM 0 H CYS A 21 11.236 3.699 -5.622 1.00 63.22 H new ATOM 0 HA CYS A 21 11.547 0.878 -5.089 1.00 22.42 H new ATOM 0 HB2 CYS A 21 9.740 0.306 -6.795 1.00 62.22 H new ATOM 0 HB3 CYS A 21 9.185 0.775 -5.200 1.00 62.22 H new ATOM 294 N VAL A 22 12.678 0.670 -7.316 1.00 11.12 N ATOM 295 CA VAL A 22 13.529 0.650 -8.500 1.00 13.13 C ATOM 296 C VAL A 22 13.396 -0.671 -9.249 1.00 42.23 C ATOM 297 O VAL A 22 13.330 -1.739 -8.640 1.00 40.01 O ATOM 298 CB VAL A 22 15.008 0.873 -8.132 1.00 33.22 C ATOM 299 CG1 VAL A 22 15.918 0.269 -9.190 1.00 41.34 C ATOM 300 CG2 VAL A 22 15.294 2.356 -7.953 1.00 42.12 C ATOM 0 H VAL A 22 12.714 -0.182 -6.757 1.00 11.12 H new ATOM 0 HA VAL A 22 13.196 1.464 -9.144 1.00 13.13 H new ATOM 0 HB VAL A 22 15.209 0.371 -7.186 1.00 33.22 H new ATOM 0 HG11 VAL A 22 16.959 0.436 -8.913 1.00 41.34 H new ATOM 0 HG12 VAL A 22 15.730 -0.802 -9.263 1.00 41.34 H new ATOM 0 HG13 VAL A 22 15.719 0.739 -10.153 1.00 41.34 H new ATOM 0 HG21 VAL A 22 16.343 2.495 -7.693 1.00 42.12 H new ATOM 0 HG22 VAL A 22 15.077 2.883 -8.882 1.00 42.12 H new ATOM 0 HG23 VAL A 22 14.667 2.754 -7.155 1.00 42.12 H new ATOM 310 N HIS A 23 13.358 -0.591 -10.576 1.00 24.03 N ATOM 311 CA HIS A 23 13.235 -1.781 -11.410 1.00 32.11 C ATOM 312 C HIS A 23 14.376 -1.858 -12.419 1.00 44.23 C ATOM 313 O HIS A 23 14.485 -1.018 -13.313 1.00 63.01 O ATOM 314 CB HIS A 23 11.892 -1.780 -12.141 1.00 33.45 C ATOM 315 CG HIS A 23 11.770 -2.861 -13.170 1.00 54.25 C ATOM 316 ND1 HIS A 23 10.939 -2.765 -14.267 1.00 41.21 N ATOM 317 CD2 HIS A 23 12.380 -4.065 -13.267 1.00 42.12 C ATOM 318 CE1 HIS A 23 11.043 -3.864 -14.993 1.00 12.13 C ATOM 319 NE2 HIS A 23 11.911 -4.669 -14.408 1.00 5.11 N ATOM 0 H HIS A 23 13.411 0.285 -11.096 1.00 24.03 H new ATOM 0 HA HIS A 23 13.287 -2.656 -10.762 1.00 32.11 H new ATOM 0 HB2 HIS A 23 11.090 -1.892 -11.411 1.00 33.45 H new ATOM 0 HB3 HIS A 23 11.751 -0.813 -12.623 1.00 33.45 H new ATOM 0 HD1 HIS A 23 10.338 -1.970 -14.484 1.00 41.21 H new ATOM 0 HD2 HIS A 23 13.102 -4.475 -12.576 1.00 42.12 H new ATOM 0 HE1 HIS A 23 10.509 -4.069 -15.909 1.00 12.13 H new ATOM 327 N TYR A 24 15.225 -2.869 -12.270 1.00 34.01 N ATOM 328 CA TYR A 24 16.360 -3.053 -13.166 1.00 73.33 C ATOM 329 C TYR A 24 16.082 -4.164 -14.175 1.00 44.43 C ATOM 330 O TYR A 24 15.924 -5.328 -13.808 1.00 13.11 O ATOM 331 CB TYR A 24 17.621 -3.380 -12.365 1.00 61.33 C ATOM 332 CG TYR A 24 18.887 -3.356 -13.192 1.00 73.43 C ATOM 333 CD1 TYR A 24 19.153 -4.356 -14.119 1.00 65.42 C ATOM 334 CD2 TYR A 24 19.815 -2.333 -13.047 1.00 43.02 C ATOM 335 CE1 TYR A 24 20.309 -4.339 -14.876 1.00 52.22 C ATOM 336 CE2 TYR A 24 20.973 -2.307 -13.801 1.00 53.51 C ATOM 337 CZ TYR A 24 21.215 -3.312 -14.714 1.00 2.12 C ATOM 338 OH TYR A 24 22.367 -3.290 -15.467 1.00 74.00 O ATOM 0 H TYR A 24 15.148 -3.574 -11.537 1.00 34.01 H new ATOM 0 HA TYR A 24 16.515 -2.122 -13.711 1.00 73.33 H new ATOM 0 HB2 TYR A 24 17.717 -2.666 -11.547 1.00 61.33 H new ATOM 0 HB3 TYR A 24 17.510 -4.366 -11.915 1.00 61.33 H new ATOM 0 HD1 TYR A 24 18.444 -5.160 -14.250 1.00 65.42 H new ATOM 0 HD2 TYR A 24 19.629 -1.544 -12.333 1.00 43.02 H new ATOM 0 HE1 TYR A 24 20.502 -5.126 -15.590 1.00 52.22 H new ATOM 0 HE2 TYR A 24 21.684 -1.504 -13.676 1.00 53.51 H new ATOM 0 HH TYR A 24 22.896 -2.500 -15.232 1.00 74.00 H new ATOM 348 N LYS A 25 16.026 -3.794 -15.450 1.00 70.54 N ATOM 349 CA LYS A 25 15.770 -4.757 -16.515 1.00 41.14 C ATOM 350 C LYS A 25 16.835 -4.660 -17.604 1.00 15.03 C ATOM 351 O LYS A 25 16.952 -3.639 -18.281 1.00 3.22 O ATOM 352 CB LYS A 25 14.384 -4.523 -17.121 1.00 1.54 C ATOM 353 CG LYS A 25 13.773 -5.767 -17.742 1.00 4.31 C ATOM 354 CD LYS A 25 12.504 -5.440 -18.511 1.00 64.33 C ATOM 355 CE LYS A 25 12.816 -4.774 -19.843 1.00 33.12 C ATOM 356 NZ LYS A 25 11.619 -4.103 -20.420 1.00 54.43 N ATOM 0 H LYS A 25 16.154 -2.834 -15.771 1.00 70.54 H new ATOM 0 HA LYS A 25 15.807 -5.757 -16.083 1.00 41.14 H new ATOM 0 HB2 LYS A 25 13.716 -4.149 -16.345 1.00 1.54 H new ATOM 0 HB3 LYS A 25 14.456 -3.745 -17.882 1.00 1.54 H new ATOM 0 HG2 LYS A 25 14.496 -6.233 -18.412 1.00 4.31 H new ATOM 0 HG3 LYS A 25 13.549 -6.493 -16.960 1.00 4.31 H new ATOM 0 HD2 LYS A 25 11.936 -6.354 -18.684 1.00 64.33 H new ATOM 0 HD3 LYS A 25 11.874 -4.782 -17.913 1.00 64.33 H new ATOM 0 HE2 LYS A 25 13.612 -4.042 -19.706 1.00 33.12 H new ATOM 0 HE3 LYS A 25 13.187 -5.521 -20.545 1.00 33.12 H new ATOM 0 HZ1 LYS A 25 11.872 -3.661 -21.327 1.00 54.43 H new ATOM 0 HZ2 LYS A 25 10.868 -4.806 -20.575 1.00 54.43 H new ATOM 0 HZ3 LYS A 25 11.279 -3.373 -19.762 1.00 54.43 H new ATOM 370 N SER A 26 17.607 -5.730 -17.767 1.00 15.40 N ATOM 371 CA SER A 26 18.663 -5.764 -18.772 1.00 12.22 C ATOM 372 C SER A 26 18.631 -7.076 -19.549 1.00 20.31 C ATOM 373 O SER A 26 18.056 -8.064 -19.095 1.00 34.53 O ATOM 374 CB SER A 26 20.031 -5.582 -18.111 1.00 35.21 C ATOM 375 OG SER A 26 20.254 -4.226 -17.765 1.00 61.25 O ATOM 0 H SER A 26 17.521 -6.584 -17.216 1.00 15.40 H new ATOM 0 HA SER A 26 18.493 -4.944 -19.470 1.00 12.22 H new ATOM 0 HB2 SER A 26 20.092 -6.203 -17.218 1.00 35.21 H new ATOM 0 HB3 SER A 26 20.814 -5.921 -18.789 1.00 35.21 H new ATOM 0 HG SER A 26 19.921 -4.061 -16.858 1.00 61.25 H new ATOM 381 N GLU A 27 19.254 -7.077 -20.723 1.00 51.44 N ATOM 382 CA GLU A 27 19.296 -8.267 -21.564 1.00 63.05 C ATOM 383 C GLU A 27 20.284 -9.290 -21.010 1.00 42.35 C ATOM 384 O GLU A 27 20.277 -10.455 -21.409 1.00 10.41 O ATOM 385 CB GLU A 27 19.682 -7.893 -22.997 1.00 43.11 C ATOM 386 CG GLU A 27 21.095 -7.347 -23.124 1.00 73.21 C ATOM 387 CD GLU A 27 21.256 -6.416 -24.310 1.00 72.11 C ATOM 388 OE1 GLU A 27 20.335 -6.361 -25.152 1.00 20.44 O ATOM 389 OE2 GLU A 27 22.304 -5.742 -24.396 1.00 14.31 O ATOM 0 H GLU A 27 19.736 -6.267 -21.113 1.00 51.44 H new ATOM 0 HA GLU A 27 18.301 -8.713 -21.568 1.00 63.05 H new ATOM 0 HB2 GLU A 27 19.583 -8.773 -23.632 1.00 43.11 H new ATOM 0 HB3 GLU A 27 18.979 -7.149 -23.371 1.00 43.11 H new ATOM 0 HG2 GLU A 27 21.358 -6.814 -22.210 1.00 73.21 H new ATOM 0 HG3 GLU A 27 21.794 -8.178 -23.221 1.00 73.21 H new ATOM 396 N ASP A 28 21.133 -8.845 -20.090 1.00 71.23 N ATOM 397 CA ASP A 28 22.127 -9.721 -19.481 1.00 1.45 C ATOM 398 C ASP A 28 21.694 -10.141 -18.079 1.00 64.24 C ATOM 399 O ASP A 28 22.111 -11.185 -17.578 1.00 44.24 O ATOM 400 CB ASP A 28 23.486 -9.021 -19.420 1.00 15.54 C ATOM 401 CG ASP A 28 24.639 -9.973 -19.667 1.00 41.40 C ATOM 402 OD1 ASP A 28 24.960 -10.765 -18.757 1.00 14.23 O ATOM 403 OD2 ASP A 28 25.222 -9.925 -20.771 1.00 1.23 O ATOM 0 H ASP A 28 21.153 -7.884 -19.750 1.00 71.23 H new ATOM 0 HA ASP A 28 22.215 -10.615 -20.098 1.00 1.45 H new ATOM 0 HB2 ASP A 28 23.513 -8.222 -20.161 1.00 15.54 H new ATOM 0 HB3 ASP A 28 23.607 -8.554 -18.443 1.00 15.54 H new ATOM 408 N GLU A 29 20.857 -9.321 -17.453 1.00 12.21 N ATOM 409 CA GLU A 29 20.370 -9.608 -16.109 1.00 11.23 C ATOM 410 C GLU A 29 19.094 -8.825 -15.814 1.00 35.13 C ATOM 411 O GLU A 29 18.748 -7.889 -16.533 1.00 53.23 O ATOM 412 CB GLU A 29 21.441 -9.267 -15.071 1.00 23.44 C ATOM 413 CG GLU A 29 21.657 -7.775 -14.885 1.00 53.33 C ATOM 414 CD GLU A 29 23.054 -7.443 -14.399 1.00 1.03 C ATOM 415 OE1 GLU A 29 23.289 -7.515 -13.175 1.00 25.34 O ATOM 416 OE2 GLU A 29 23.912 -7.111 -15.243 1.00 64.11 O ATOM 0 H GLU A 29 20.502 -8.453 -17.854 1.00 12.21 H new ATOM 0 HA GLU A 29 20.144 -10.673 -16.052 1.00 11.23 H new ATOM 0 HB2 GLU A 29 21.160 -9.707 -14.114 1.00 23.44 H new ATOM 0 HB3 GLU A 29 22.383 -9.727 -15.369 1.00 23.44 H new ATOM 0 HG2 GLU A 29 21.475 -7.265 -15.831 1.00 53.33 H new ATOM 0 HG3 GLU A 29 20.928 -7.393 -14.171 1.00 53.33 H new ATOM 423 N GLU A 30 18.398 -9.217 -14.751 1.00 22.23 N ATOM 424 CA GLU A 30 17.160 -8.553 -14.362 1.00 35.44 C ATOM 425 C GLU A 30 16.871 -8.765 -12.878 1.00 64.41 C ATOM 426 O GLU A 30 16.804 -9.900 -12.404 1.00 14.43 O ATOM 427 CB GLU A 30 15.990 -9.075 -15.199 1.00 62.42 C ATOM 428 CG GLU A 30 14.658 -8.432 -14.852 1.00 61.13 C ATOM 429 CD GLU A 30 13.524 -8.930 -15.727 1.00 63.32 C ATOM 430 OE1 GLU A 30 13.808 -9.584 -16.752 1.00 63.32 O ATOM 431 OE2 GLU A 30 12.352 -8.666 -15.386 1.00 43.10 O ATOM 0 H GLU A 30 18.671 -9.991 -14.145 1.00 22.23 H new ATOM 0 HA GLU A 30 17.279 -7.485 -14.543 1.00 35.44 H new ATOM 0 HB2 GLU A 30 16.203 -8.902 -16.254 1.00 62.42 H new ATOM 0 HB3 GLU A 30 15.910 -10.153 -15.063 1.00 62.42 H new ATOM 0 HG2 GLU A 30 14.422 -8.635 -13.807 1.00 61.13 H new ATOM 0 HG3 GLU A 30 14.743 -7.350 -14.955 1.00 61.13 H new ATOM 438 N TYR A 31 16.703 -7.666 -12.151 1.00 64.34 N ATOM 439 CA TYR A 31 16.426 -7.731 -10.721 1.00 53.45 C ATOM 440 C TYR A 31 15.722 -6.463 -10.246 1.00 34.52 C ATOM 441 O TYR A 31 15.735 -5.438 -10.927 1.00 0.11 O ATOM 442 CB TYR A 31 17.723 -7.931 -9.937 1.00 64.31 C ATOM 443 CG TYR A 31 18.700 -6.786 -10.079 1.00 1.21 C ATOM 444 CD1 TYR A 31 18.532 -5.610 -9.359 1.00 14.24 C ATOM 445 CD2 TYR A 31 19.792 -6.880 -10.933 1.00 22.11 C ATOM 446 CE1 TYR A 31 19.421 -4.561 -9.486 1.00 0.42 C ATOM 447 CE2 TYR A 31 20.688 -5.836 -11.065 1.00 74.44 C ATOM 448 CZ TYR A 31 20.497 -4.679 -10.340 1.00 44.31 C ATOM 449 OH TYR A 31 21.386 -3.636 -10.469 1.00 25.34 O ATOM 0 H TYR A 31 16.754 -6.720 -12.528 1.00 64.34 H new ATOM 0 HA TYR A 31 15.767 -8.581 -10.542 1.00 53.45 H new ATOM 0 HB2 TYR A 31 17.483 -8.064 -8.882 1.00 64.31 H new ATOM 0 HB3 TYR A 31 18.203 -8.850 -10.273 1.00 64.31 H new ATOM 0 HD1 TYR A 31 17.691 -5.514 -8.688 1.00 14.24 H new ATOM 0 HD2 TYR A 31 19.943 -7.784 -11.503 1.00 22.11 H new ATOM 0 HE1 TYR A 31 19.274 -3.653 -8.920 1.00 0.42 H new ATOM 0 HE2 TYR A 31 21.533 -5.926 -11.732 1.00 74.44 H new ATOM 0 HH TYR A 31 21.125 -3.076 -11.230 1.00 25.34 H new ATOM 459 N LYS A 32 15.107 -6.542 -9.070 1.00 52.05 N ATOM 460 CA LYS A 32 14.398 -5.403 -8.500 1.00 11.24 C ATOM 461 C LYS A 32 14.670 -5.287 -7.003 1.00 71.02 C ATOM 462 O LYS A 32 14.606 -6.276 -6.273 1.00 3.22 O ATOM 463 CB LYS A 32 12.894 -5.536 -8.747 1.00 35.35 C ATOM 464 CG LYS A 32 12.519 -5.569 -10.218 1.00 41.32 C ATOM 465 CD LYS A 32 11.617 -6.749 -10.538 1.00 41.22 C ATOM 466 CE LYS A 32 10.634 -6.414 -11.649 1.00 41.35 C ATOM 467 NZ LYS A 32 10.979 -7.105 -12.922 1.00 60.34 N ATOM 0 H LYS A 32 15.086 -7.383 -8.494 1.00 52.05 H new ATOM 0 HA LYS A 32 14.761 -4.499 -8.989 1.00 11.24 H new ATOM 0 HB2 LYS A 32 12.535 -6.447 -8.269 1.00 35.35 H new ATOM 0 HB3 LYS A 32 12.381 -4.702 -8.269 1.00 35.35 H new ATOM 0 HG2 LYS A 32 12.014 -4.641 -10.486 1.00 41.32 H new ATOM 0 HG3 LYS A 32 13.423 -5.627 -10.824 1.00 41.32 H new ATOM 0 HD2 LYS A 32 12.225 -7.603 -10.834 1.00 41.22 H new ATOM 0 HD3 LYS A 32 11.069 -7.043 -9.643 1.00 41.22 H new ATOM 0 HE2 LYS A 32 9.628 -6.700 -11.342 1.00 41.35 H new ATOM 0 HE3 LYS A 32 10.624 -5.336 -11.812 1.00 41.35 H new ATOM 0 HZ1 LYS A 32 11.318 -6.407 -13.615 1.00 60.34 H new ATOM 0 HZ2 LYS A 32 11.725 -7.808 -12.744 1.00 60.34 H new ATOM 0 HZ3 LYS A 32 10.135 -7.583 -13.297 1.00 60.34 H new ATOM 481 N SER A 33 14.972 -4.073 -6.553 1.00 73.24 N ATOM 482 CA SER A 33 15.256 -3.829 -5.144 1.00 75.10 C ATOM 483 C SER A 33 15.269 -2.333 -4.844 1.00 20.32 C ATOM 484 O SER A 33 15.684 -1.525 -5.675 1.00 0.01 O ATOM 485 CB SER A 33 16.599 -4.451 -4.757 1.00 50.54 C ATOM 486 OG SER A 33 16.447 -5.814 -4.403 1.00 70.21 O ATOM 0 H SER A 33 15.026 -3.243 -7.144 1.00 73.24 H new ATOM 0 HA SER A 33 14.466 -4.293 -4.554 1.00 75.10 H new ATOM 0 HB2 SER A 33 17.297 -4.364 -5.590 1.00 50.54 H new ATOM 0 HB3 SER A 33 17.030 -3.901 -3.921 1.00 50.54 H new ATOM 0 HG SER A 33 15.636 -6.172 -4.820 1.00 70.21 H new ATOM 492 N CYS A 34 14.812 -1.972 -3.650 1.00 11.24 N ATOM 493 CA CYS A 34 14.770 -0.574 -3.237 1.00 71.13 C ATOM 494 C CYS A 34 14.190 -0.439 -1.832 1.00 45.31 C ATOM 495 O CYS A 34 14.029 -1.427 -1.118 1.00 30.31 O ATOM 496 CB CYS A 34 13.938 0.246 -4.225 1.00 73.12 C ATOM 497 SG CYS A 34 14.685 1.844 -4.680 1.00 21.12 S ATOM 0 H CYS A 34 14.465 -2.629 -2.951 1.00 11.24 H new ATOM 0 HA CYS A 34 15.791 -0.193 -3.228 1.00 71.13 H new ATOM 0 HB2 CYS A 34 13.785 -0.342 -5.130 1.00 73.12 H new ATOM 0 HB3 CYS A 34 12.954 0.427 -3.792 1.00 73.12 H new ATOM 0 HG CYS A 34 15.463 2.248 -3.720 1.00 21.12 H new ATOM 502 N GLY A 35 13.879 0.794 -1.442 1.00 63.14 N ATOM 503 CA GLY A 35 13.321 1.037 -0.125 1.00 23.31 C ATOM 504 C GLY A 35 13.246 2.513 0.210 1.00 55.24 C ATOM 505 O GLY A 35 12.169 3.110 0.172 1.00 43.32 O ATOM 0 H GLY A 35 14.004 1.629 -2.015 1.00 63.14 H new ATOM 0 HA2 GLY A 35 12.322 0.604 -0.072 1.00 23.31 H new ATOM 0 HA3 GLY A 35 13.929 0.528 0.623 1.00 23.31 H new ATOM 509 N ILE A 36 14.390 3.103 0.539 1.00 34.13 N ATOM 510 CA ILE A 36 14.448 4.518 0.882 1.00 14.44 C ATOM 511 C ILE A 36 15.207 5.310 -0.177 1.00 4.04 C ATOM 512 O ILE A 36 16.207 4.839 -0.718 1.00 4.41 O ATOM 513 CB ILE A 36 15.118 4.739 2.251 1.00 21.23 C ATOM 514 CG1 ILE A 36 16.295 3.777 2.428 1.00 11.00 C ATOM 515 CG2 ILE A 36 14.106 4.557 3.372 1.00 13.33 C ATOM 516 CD1 ILE A 36 17.054 3.982 3.720 1.00 33.35 C ATOM 0 H ILE A 36 15.289 2.623 0.575 1.00 34.13 H new ATOM 0 HA ILE A 36 13.419 4.873 0.929 1.00 14.44 H new ATOM 0 HB ILE A 36 15.497 5.760 2.293 1.00 21.23 H new ATOM 0 HG12 ILE A 36 15.925 2.752 2.392 1.00 11.00 H new ATOM 0 HG13 ILE A 36 16.981 3.897 1.590 1.00 11.00 H new ATOM 0 HG21 ILE A 36 14.595 4.716 4.333 1.00 13.33 H new ATOM 0 HG22 ILE A 36 13.297 5.278 3.252 1.00 13.33 H new ATOM 0 HG23 ILE A 36 13.700 3.546 3.335 1.00 13.33 H new ATOM 0 HD11 ILE A 36 17.874 3.266 3.778 1.00 33.35 H new ATOM 0 HD12 ILE A 36 17.454 4.995 3.750 1.00 33.35 H new ATOM 0 HD13 ILE A 36 16.382 3.833 4.565 1.00 33.35 H new ATOM 528 N GLN A 37 14.726 6.515 -0.465 1.00 63.12 N ATOM 529 CA GLN A 37 15.361 7.373 -1.459 1.00 24.52 C ATOM 530 C GLN A 37 16.855 7.509 -1.185 1.00 4.32 C ATOM 531 O GLN A 37 17.646 7.734 -2.101 1.00 35.20 O ATOM 532 CB GLN A 37 14.704 8.754 -1.466 1.00 73.45 C ATOM 533 CG GLN A 37 15.259 9.686 -2.531 1.00 74.23 C ATOM 534 CD GLN A 37 15.086 9.138 -3.934 1.00 64.51 C ATOM 535 OE1 GLN A 37 16.006 9.191 -4.751 1.00 62.31 O ATOM 536 NE2 GLN A 37 13.904 8.606 -4.221 1.00 51.03 N ATOM 0 H GLN A 37 13.899 6.919 -0.025 1.00 63.12 H new ATOM 0 HA GLN A 37 15.230 6.911 -2.438 1.00 24.52 H new ATOM 0 HB2 GLN A 37 13.632 8.636 -1.621 1.00 73.45 H new ATOM 0 HB3 GLN A 37 14.836 9.215 -0.487 1.00 73.45 H new ATOM 0 HG2 GLN A 37 14.760 10.652 -2.458 1.00 74.23 H new ATOM 0 HG3 GLN A 37 16.318 9.859 -2.341 1.00 74.23 H new ATOM 0 HE21 GLN A 37 13.170 8.583 -3.513 1.00 51.03 H new ATOM 0 HE22 GLN A 37 13.730 8.220 -5.149 1.00 51.03 H new ATOM 545 N GLU A 38 17.235 7.373 0.082 1.00 33.30 N ATOM 546 CA GLU A 38 18.634 7.482 0.476 1.00 45.53 C ATOM 547 C GLU A 38 19.442 6.298 -0.049 1.00 14.35 C ATOM 548 O GLU A 38 20.579 6.457 -0.490 1.00 23.33 O ATOM 549 CB GLU A 38 18.754 7.561 1.999 1.00 22.01 C ATOM 550 CG GLU A 38 18.208 8.851 2.587 1.00 41.31 C ATOM 551 CD GLU A 38 16.728 8.767 2.905 1.00 30.22 C ATOM 552 OE1 GLU A 38 16.369 8.065 3.874 1.00 63.42 O ATOM 553 OE2 GLU A 38 15.929 9.402 2.186 1.00 13.14 O ATOM 0 H GLU A 38 16.593 7.187 0.853 1.00 33.30 H new ATOM 0 HA GLU A 38 19.037 8.396 0.040 1.00 45.53 H new ATOM 0 HB2 GLU A 38 18.224 6.717 2.441 1.00 22.01 H new ATOM 0 HB3 GLU A 38 19.803 7.460 2.278 1.00 22.01 H new ATOM 0 HG2 GLU A 38 18.758 9.093 3.497 1.00 41.31 H new ATOM 0 HG3 GLU A 38 18.379 9.667 1.885 1.00 41.31 H new ATOM 560 N GLU A 39 18.844 5.112 0.004 1.00 14.14 N ATOM 561 CA GLU A 39 19.507 3.901 -0.464 1.00 5.23 C ATOM 562 C GLU A 39 19.308 3.717 -1.965 1.00 42.24 C ATOM 563 O GLU A 39 20.111 3.067 -2.635 1.00 25.12 O ATOM 564 CB GLU A 39 18.975 2.678 0.286 1.00 15.41 C ATOM 565 CG GLU A 39 17.760 2.043 -0.371 1.00 5.24 C ATOM 566 CD GLU A 39 18.135 0.980 -1.385 1.00 3.20 C ATOM 567 OE1 GLU A 39 18.879 0.046 -1.017 1.00 54.24 O ATOM 568 OE2 GLU A 39 17.686 1.082 -2.546 1.00 0.05 O ATOM 0 H GLU A 39 17.902 4.964 0.366 1.00 14.14 H new ATOM 0 HA GLU A 39 20.574 4.003 -0.266 1.00 5.23 H new ATOM 0 HB2 GLU A 39 19.768 1.934 0.360 1.00 15.41 H new ATOM 0 HB3 GLU A 39 18.716 2.970 1.304 1.00 15.41 H new ATOM 0 HG2 GLU A 39 17.126 1.600 0.397 1.00 5.24 H new ATOM 0 HG3 GLU A 39 17.171 2.817 -0.863 1.00 5.24 H new ATOM 575 N CYS A 40 18.232 4.294 -2.488 1.00 55.24 N ATOM 576 CA CYS A 40 17.924 4.194 -3.910 1.00 42.40 C ATOM 577 C CYS A 40 18.721 5.219 -4.712 1.00 42.11 C ATOM 578 O CYS A 40 19.130 4.955 -5.842 1.00 62.31 O ATOM 579 CB CYS A 40 16.426 4.400 -4.145 1.00 24.30 C ATOM 580 SG CYS A 40 15.532 2.882 -4.610 1.00 11.40 S ATOM 0 H CYS A 40 17.558 4.836 -1.948 1.00 55.24 H new ATOM 0 HA CYS A 40 18.204 3.196 -4.248 1.00 42.40 H new ATOM 0 HB2 CYS A 40 15.980 4.809 -3.239 1.00 24.30 H new ATOM 0 HB3 CYS A 40 16.291 5.144 -4.930 1.00 24.30 H new ATOM 0 HG CYS A 40 14.261 3.043 -4.390 1.00 11.40 H new ATOM 585 N GLU A 41 18.937 6.389 -4.118 1.00 64.24 N ATOM 586 CA GLU A 41 19.685 7.453 -4.778 1.00 72.12 C ATOM 587 C GLU A 41 21.137 7.040 -5.002 1.00 74.23 C ATOM 588 O GLU A 41 21.826 7.594 -5.859 1.00 12.24 O ATOM 589 CB GLU A 41 19.631 8.736 -3.946 1.00 73.12 C ATOM 590 CG GLU A 41 20.331 9.915 -4.600 1.00 51.30 C ATOM 591 CD GLU A 41 19.697 11.244 -4.237 1.00 41.33 C ATOM 592 OE1 GLU A 41 20.110 11.840 -3.220 1.00 33.52 O ATOM 593 OE2 GLU A 41 18.789 11.689 -4.970 1.00 31.30 O ATOM 0 H GLU A 41 18.605 6.624 -3.182 1.00 64.24 H new ATOM 0 HA GLU A 41 19.224 7.638 -5.748 1.00 72.12 H new ATOM 0 HB2 GLU A 41 18.589 8.998 -3.765 1.00 73.12 H new ATOM 0 HB3 GLU A 41 20.086 8.548 -2.974 1.00 73.12 H new ATOM 0 HG2 GLU A 41 21.379 9.923 -4.300 1.00 51.30 H new ATOM 0 HG3 GLU A 41 20.310 9.790 -5.683 1.00 51.30 H new ATOM 600 N ASP A 42 21.594 6.063 -4.226 1.00 40.43 N ATOM 601 CA ASP A 42 22.963 5.575 -4.339 1.00 64.24 C ATOM 602 C ASP A 42 23.296 5.220 -5.785 1.00 42.23 C ATOM 603 O ASP A 42 24.445 5.331 -6.213 1.00 55.33 O ATOM 604 CB ASP A 42 23.167 4.353 -3.442 1.00 4.43 C ATOM 605 CG ASP A 42 24.577 3.801 -3.527 1.00 74.14 C ATOM 606 OD1 ASP A 42 24.918 3.207 -4.571 1.00 43.55 O ATOM 607 OD2 ASP A 42 25.338 3.961 -2.550 1.00 15.01 O ATOM 0 H ASP A 42 21.036 5.594 -3.512 1.00 40.43 H new ATOM 0 HA ASP A 42 23.634 6.371 -4.015 1.00 64.24 H new ATOM 0 HB2 ASP A 42 22.947 4.623 -2.409 1.00 4.43 H new ATOM 0 HB3 ASP A 42 22.458 3.575 -3.726 1.00 4.43 H new ATOM 612 N ALA A 43 22.284 4.792 -6.532 1.00 52.02 N ATOM 613 CA ALA A 43 22.469 4.422 -7.930 1.00 33.11 C ATOM 614 C ALA A 43 22.904 5.623 -8.763 1.00 23.23 C ATOM 615 O ALA A 43 22.071 6.379 -9.261 1.00 32.50 O ATOM 616 CB ALA A 43 21.187 3.824 -8.492 1.00 1.53 C ATOM 0 H ALA A 43 21.327 4.693 -6.193 1.00 52.02 H new ATOM 0 HA ALA A 43 23.259 3.673 -7.980 1.00 33.11 H new ATOM 0 HB1 ALA A 43 21.340 3.552 -9.537 1.00 1.53 H new ATOM 0 HB2 ALA A 43 20.920 2.935 -7.921 1.00 1.53 H new ATOM 0 HB3 ALA A 43 20.383 4.556 -8.421 1.00 1.53 H new ATOM 622 N GLU A 44 24.215 5.792 -8.909 1.00 13.15 N ATOM 623 CA GLU A 44 24.760 6.903 -9.680 1.00 74.02 C ATOM 624 C GLU A 44 24.672 6.620 -11.177 1.00 41.12 C ATOM 625 O GLU A 44 24.775 5.473 -11.610 1.00 52.23 O ATOM 626 CB GLU A 44 26.214 7.164 -9.283 1.00 62.34 C ATOM 627 CG GLU A 44 27.143 5.997 -9.574 1.00 71.22 C ATOM 628 CD GLU A 44 27.313 5.076 -8.382 1.00 22.42 C ATOM 629 OE1 GLU A 44 28.117 5.407 -7.485 1.00 73.13 O ATOM 630 OE2 GLU A 44 26.642 4.023 -8.346 1.00 20.14 O ATOM 0 H GLU A 44 24.918 5.174 -8.504 1.00 13.15 H new ATOM 0 HA GLU A 44 24.167 7.791 -9.460 1.00 74.02 H new ATOM 0 HB2 GLU A 44 26.574 8.045 -9.814 1.00 62.34 H new ATOM 0 HB3 GLU A 44 26.256 7.394 -8.218 1.00 62.34 H new ATOM 0 HG2 GLU A 44 26.751 5.427 -10.416 1.00 71.22 H new ATOM 0 HG3 GLU A 44 28.118 6.380 -9.875 1.00 71.22 H new ATOM 637 N GLY A 45 24.481 7.676 -11.963 1.00 31.41 N ATOM 638 CA GLY A 45 24.382 7.521 -13.402 1.00 71.44 C ATOM 639 C GLY A 45 22.948 7.379 -13.873 1.00 60.30 C ATOM 640 O GLY A 45 22.601 7.817 -14.969 1.00 63.14 O ATOM 0 H GLY A 45 24.393 8.636 -11.628 1.00 31.41 H new ATOM 0 HA2 GLY A 45 24.837 8.383 -13.889 1.00 71.44 H new ATOM 0 HA3 GLY A 45 24.951 6.644 -13.710 1.00 71.44 H new ATOM 644 N ALA A 46 22.113 6.763 -13.043 1.00 34.02 N ATOM 645 CA ALA A 46 20.708 6.565 -13.380 1.00 24.30 C ATOM 646 C ALA A 46 19.799 7.267 -12.378 1.00 33.14 C ATOM 647 O ALA A 46 20.170 7.469 -11.221 1.00 44.51 O ATOM 648 CB ALA A 46 20.385 5.079 -13.439 1.00 54.32 C ATOM 0 H ALA A 46 22.385 6.392 -12.132 1.00 34.02 H new ATOM 0 HA ALA A 46 20.529 7.004 -14.362 1.00 24.30 H new ATOM 0 HB1 ALA A 46 19.333 4.945 -13.691 1.00 54.32 H new ATOM 0 HB2 ALA A 46 21.004 4.602 -14.199 1.00 54.32 H new ATOM 0 HB3 ALA A 46 20.586 4.624 -12.469 1.00 54.32 H new ATOM 654 N THR A 47 18.604 7.638 -12.828 1.00 60.40 N ATOM 655 CA THR A 47 17.642 8.319 -11.971 1.00 71.13 C ATOM 656 C THR A 47 16.634 7.336 -11.386 1.00 3.11 C ATOM 657 O THR A 47 16.193 6.407 -12.063 1.00 14.44 O ATOM 658 CB THR A 47 16.884 9.417 -12.741 1.00 35.04 C ATOM 659 OG1 THR A 47 16.081 10.184 -11.836 1.00 3.02 O ATOM 660 CG2 THR A 47 16.000 8.810 -13.820 1.00 30.32 C ATOM 0 H THR A 47 18.280 7.478 -13.782 1.00 60.40 H new ATOM 0 HA THR A 47 18.209 8.778 -11.161 1.00 71.13 H new ATOM 0 HB THR A 47 17.617 10.068 -13.218 1.00 35.04 H new ATOM 0 HG1 THR A 47 15.604 10.881 -12.333 1.00 3.02 H new ATOM 0 HG21 THR A 47 15.475 9.605 -14.350 1.00 30.32 H new ATOM 0 HG22 THR A 47 16.617 8.251 -14.523 1.00 30.32 H new ATOM 0 HG23 THR A 47 15.274 8.139 -13.361 1.00 30.32 H new ATOM 668 N VAL A 48 16.274 7.547 -10.124 1.00 35.20 N ATOM 669 CA VAL A 48 15.316 6.680 -9.448 1.00 32.02 C ATOM 670 C VAL A 48 13.945 7.341 -9.358 1.00 31.44 C ATOM 671 O VAL A 48 13.793 8.401 -8.750 1.00 2.23 O ATOM 672 CB VAL A 48 15.792 6.316 -8.029 1.00 45.01 C ATOM 673 CG1 VAL A 48 14.760 5.449 -7.325 1.00 23.50 C ATOM 674 CG2 VAL A 48 17.142 5.615 -8.084 1.00 54.41 C ATOM 0 H VAL A 48 16.631 8.310 -9.549 1.00 35.20 H new ATOM 0 HA VAL A 48 15.239 5.769 -10.042 1.00 32.02 H new ATOM 0 HB VAL A 48 15.909 7.236 -7.456 1.00 45.01 H new ATOM 0 HG11 VAL A 48 15.114 5.202 -6.324 1.00 23.50 H new ATOM 0 HG12 VAL A 48 13.817 5.991 -7.253 1.00 23.50 H new ATOM 0 HG13 VAL A 48 14.608 4.531 -7.893 1.00 23.50 H new ATOM 0 HG21 VAL A 48 17.464 5.365 -7.073 1.00 54.41 H new ATOM 0 HG22 VAL A 48 17.054 4.702 -8.673 1.00 54.41 H new ATOM 0 HG23 VAL A 48 17.876 6.275 -8.545 1.00 54.41 H new ATOM 684 N LEU A 49 12.948 6.707 -9.966 1.00 1.31 N ATOM 685 CA LEU A 49 11.587 7.233 -9.954 1.00 43.13 C ATOM 686 C LEU A 49 10.598 6.173 -9.481 1.00 20.01 C ATOM 687 O LEU A 49 10.606 5.041 -9.965 1.00 23.55 O ATOM 688 CB LEU A 49 11.197 7.724 -11.349 1.00 43.25 C ATOM 689 CG LEU A 49 10.083 8.769 -11.406 1.00 13.31 C ATOM 690 CD1 LEU A 49 10.668 10.172 -11.463 1.00 63.34 C ATOM 691 CD2 LEU A 49 9.176 8.518 -12.602 1.00 44.43 C ATOM 0 H LEU A 49 13.056 5.829 -10.473 1.00 1.31 H new ATOM 0 HA LEU A 49 11.554 8.071 -9.258 1.00 43.13 H new ATOM 0 HB2 LEU A 49 12.084 8.141 -11.826 1.00 43.25 H new ATOM 0 HB3 LEU A 49 10.891 6.863 -11.943 1.00 43.25 H new ATOM 0 HG LEU A 49 9.486 8.684 -10.498 1.00 13.31 H new ATOM 0 HD11 LEU A 49 9.860 10.902 -11.503 1.00 63.34 H new ATOM 0 HD12 LEU A 49 11.274 10.350 -10.575 1.00 63.34 H new ATOM 0 HD13 LEU A 49 11.290 10.271 -12.352 1.00 63.34 H new ATOM 0 HD21 LEU A 49 8.389 9.272 -12.626 1.00 44.43 H new ATOM 0 HD22 LEU A 49 9.761 8.574 -13.520 1.00 44.43 H new ATOM 0 HD23 LEU A 49 8.728 7.528 -12.517 1.00 44.43 H new ATOM 703 N CYS A 50 9.745 6.548 -8.534 1.00 12.22 N ATOM 704 CA CYS A 50 8.747 5.631 -7.996 1.00 3.34 C ATOM 705 C CYS A 50 7.344 6.217 -8.125 1.00 61.12 C ATOM 706 O CYS A 50 7.160 7.433 -8.072 1.00 55.31 O ATOM 707 CB CYS A 50 9.049 5.321 -6.528 1.00 73.11 C ATOM 708 SG CYS A 50 8.109 3.912 -5.858 1.00 72.40 S ATOM 0 H CYS A 50 9.725 7.481 -8.123 1.00 12.22 H new ATOM 0 HA CYS A 50 8.790 4.707 -8.573 1.00 3.34 H new ATOM 0 HB2 CYS A 50 10.114 5.116 -6.423 1.00 73.11 H new ATOM 0 HB3 CYS A 50 8.833 6.206 -5.929 1.00 73.11 H new ATOM 713 N CYS A 51 6.358 5.343 -8.295 1.00 72.04 N ATOM 714 CA CYS A 51 4.971 5.771 -8.433 1.00 1.30 C ATOM 715 C CYS A 51 4.220 5.614 -7.114 1.00 73.42 C ATOM 716 O CYS A 51 4.532 4.752 -6.292 1.00 4.31 O ATOM 717 CB CYS A 51 4.273 4.965 -9.530 1.00 52.30 C ATOM 718 SG CYS A 51 5.353 4.522 -10.929 1.00 14.33 S ATOM 0 H CYS A 51 6.494 4.333 -8.341 1.00 72.04 H new ATOM 0 HA CYS A 51 4.968 6.825 -8.709 1.00 1.30 H new ATOM 0 HB2 CYS A 51 3.869 4.052 -9.094 1.00 52.30 H new ATOM 0 HB3 CYS A 51 3.427 5.540 -9.906 1.00 52.30 H new ATOM 723 N PRO A 52 3.204 6.465 -6.907 1.00 30.34 N ATOM 724 CA PRO A 52 2.386 6.440 -5.690 1.00 62.42 C ATOM 725 C PRO A 52 1.495 5.204 -5.616 1.00 42.41 C ATOM 726 O PRO A 52 0.873 4.938 -4.588 1.00 41.14 O ATOM 727 CB PRO A 52 1.535 7.706 -5.809 1.00 2.53 C ATOM 728 CG PRO A 52 1.464 7.979 -7.272 1.00 11.45 C ATOM 729 CD PRO A 52 2.775 7.517 -7.844 1.00 23.34 C ATOM 0 HA PRO A 52 2.997 6.404 -4.788 1.00 62.42 H new ATOM 0 HB2 PRO A 52 0.542 7.557 -5.386 1.00 2.53 H new ATOM 0 HB3 PRO A 52 1.988 8.539 -5.272 1.00 2.53 H new ATOM 0 HG2 PRO A 52 0.630 7.446 -7.728 1.00 11.45 H new ATOM 0 HG3 PRO A 52 1.307 9.040 -7.464 1.00 11.45 H new ATOM 0 HD2 PRO A 52 2.658 7.130 -8.856 1.00 23.34 H new ATOM 0 HD3 PRO A 52 3.500 8.330 -7.895 1.00 23.34 H new ATOM 737 N GLU A 53 1.439 4.454 -6.712 1.00 23.10 N ATOM 738 CA GLU A 53 0.623 3.247 -6.770 1.00 23.25 C ATOM 739 C GLU A 53 1.429 2.025 -6.338 1.00 33.34 C ATOM 740 O GLU A 53 2.599 2.137 -5.971 1.00 74.20 O ATOM 741 CB GLU A 53 0.080 3.039 -8.185 1.00 33.13 C ATOM 742 CG GLU A 53 -1.408 3.320 -8.313 1.00 0.14 C ATOM 743 CD GLU A 53 -1.832 3.576 -9.746 1.00 12.13 C ATOM 744 OE1 GLU A 53 -2.050 2.594 -10.485 1.00 64.22 O ATOM 745 OE2 GLU A 53 -1.947 4.760 -10.127 1.00 61.23 O ATOM 0 H GLU A 53 1.949 4.661 -7.571 1.00 23.10 H new ATOM 0 HA GLU A 53 -0.214 3.371 -6.082 1.00 23.25 H new ATOM 0 HB2 GLU A 53 0.624 3.686 -8.873 1.00 33.13 H new ATOM 0 HB3 GLU A 53 0.275 2.012 -8.493 1.00 33.13 H new ATOM 0 HG2 GLU A 53 -1.969 2.473 -7.918 1.00 0.14 H new ATOM 0 HG3 GLU A 53 -1.664 4.185 -7.702 1.00 0.14 H new ATOM 752 N ASP A 54 0.793 0.859 -6.383 1.00 65.23 N ATOM 753 CA ASP A 54 1.450 -0.385 -5.997 1.00 73.05 C ATOM 754 C ASP A 54 2.008 -1.107 -7.220 1.00 4.50 C ATOM 755 O ASP A 54 1.425 -1.057 -8.304 1.00 22.02 O ATOM 756 CB ASP A 54 0.469 -1.295 -5.257 1.00 21.45 C ATOM 757 CG ASP A 54 -0.877 -1.381 -5.949 1.00 30.35 C ATOM 758 OD1 ASP A 54 -1.678 -0.434 -5.808 1.00 14.51 O ATOM 759 OD2 ASP A 54 -1.129 -2.396 -6.631 1.00 41.24 O ATOM 0 H ASP A 54 -0.176 0.749 -6.683 1.00 65.23 H new ATOM 0 HA ASP A 54 2.279 -0.139 -5.333 1.00 73.05 H new ATOM 0 HB2 ASP A 54 0.896 -2.294 -5.175 1.00 21.45 H new ATOM 0 HB3 ASP A 54 0.329 -0.924 -4.242 1.00 21.45 H new ATOM 764 N LEU A 55 3.142 -1.775 -7.039 1.00 32.30 N ATOM 765 CA LEU A 55 3.781 -2.507 -8.128 1.00 12.25 C ATOM 766 C LEU A 55 4.122 -1.573 -9.285 1.00 34.14 C ATOM 767 O LEU A 55 3.596 -1.718 -10.389 1.00 12.34 O ATOM 768 CB LEU A 55 2.868 -3.632 -8.617 1.00 74.12 C ATOM 769 CG LEU A 55 2.487 -4.687 -7.578 1.00 72.54 C ATOM 770 CD1 LEU A 55 1.696 -5.813 -8.226 1.00 63.54 C ATOM 771 CD2 LEU A 55 3.730 -5.233 -6.892 1.00 4.04 C ATOM 0 H LEU A 55 3.638 -1.825 -6.149 1.00 32.30 H new ATOM 0 HA LEU A 55 4.707 -2.939 -7.749 1.00 12.25 H new ATOM 0 HB2 LEU A 55 1.952 -3.187 -9.006 1.00 74.12 H new ATOM 0 HB3 LEU A 55 3.358 -4.133 -9.452 1.00 74.12 H new ATOM 0 HG LEU A 55 1.857 -4.215 -6.824 1.00 72.54 H new ATOM 0 HD11 LEU A 55 1.434 -6.554 -7.471 1.00 63.54 H new ATOM 0 HD12 LEU A 55 0.786 -5.410 -8.670 1.00 63.54 H new ATOM 0 HD13 LEU A 55 2.301 -6.283 -9.002 1.00 63.54 H new ATOM 0 HD21 LEU A 55 3.440 -5.983 -6.156 1.00 4.04 H new ATOM 0 HD22 LEU A 55 4.385 -5.688 -7.635 1.00 4.04 H new ATOM 0 HD23 LEU A 55 4.257 -4.420 -6.393 1.00 4.04 H new ATOM 783 N CYS A 56 5.006 -0.616 -9.025 1.00 64.30 N ATOM 784 CA CYS A 56 5.420 0.341 -10.044 1.00 72.53 C ATOM 785 C CYS A 56 6.788 -0.026 -10.612 1.00 22.25 C ATOM 786 O CYS A 56 7.157 0.409 -11.701 1.00 55.35 O ATOM 787 CB CYS A 56 5.460 1.754 -9.460 1.00 53.14 C ATOM 788 SG CYS A 56 5.975 3.035 -10.649 1.00 13.23 S ATOM 0 H CYS A 56 5.450 -0.482 -8.116 1.00 64.30 H new ATOM 0 HA CYS A 56 4.691 0.310 -10.853 1.00 72.53 H new ATOM 0 HB2 CYS A 56 4.471 2.005 -9.077 1.00 53.14 H new ATOM 0 HB3 CYS A 56 6.143 1.766 -8.611 1.00 53.14 H new ATOM 793 N ASN A 57 7.537 -0.830 -9.863 1.00 74.33 N ATOM 794 CA ASN A 57 8.864 -1.256 -10.291 1.00 4.31 C ATOM 795 C ASN A 57 8.877 -2.744 -10.627 1.00 12.10 C ATOM 796 O ASN A 57 9.825 -3.456 -10.299 1.00 22.25 O ATOM 797 CB ASN A 57 9.894 -0.959 -9.199 1.00 20.53 C ATOM 798 CG ASN A 57 9.739 -1.870 -7.996 1.00 10.23 C ATOM 799 OD1 ASN A 57 8.677 -1.922 -7.376 1.00 75.40 O ATOM 800 ND2 ASN A 57 10.801 -2.592 -7.660 1.00 24.12 N ATOM 0 H ASN A 57 7.247 -1.199 -8.957 1.00 74.33 H new ATOM 0 HA ASN A 57 9.125 -0.697 -11.190 1.00 4.31 H new ATOM 0 HB2 ASN A 57 10.898 -1.071 -9.609 1.00 20.53 H new ATOM 0 HB3 ASN A 57 9.794 0.079 -8.881 1.00 20.53 H new ATOM 0 HD21 ASN A 57 10.757 -3.222 -6.859 1.00 24.12 H new ATOM 0 HD22 ASN A 57 11.661 -2.517 -8.203 1.00 24.12 H new