USER MOD reduce.3.24.130724 H: found=0, std=0, add=262, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 261 hydrogens (11 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 12 ASN : amide:sc= 0.117 K(o=-1.8,f=-3.6) USER MOD Set 1.2: A 28 MET CE :methyl 156:sc= -2.32 (180deg=-3.36!) USER MOD Set 1.3: A 31 TYR OH : rot -116:sc= 0.443 USER MOD Single : A 1 ASP N :NH3+ 164:sc= 0.387 (180deg=0.268) USER MOD Single : A 3 ASN : amide:sc= -0.266 X(o=-0.27,f=-0.0076) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 FUC O2 : rot 38:sc= 0.0128 USER MOD Single : A 39 FUC O3 : rot -94:sc= 0.0383 USER MOD Single : A 39 FUC O4 : rot 160:sc= 0.05 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -9.679 14.753 -3.175 1.00 0.00 N ATOM 2 CA ASP A 1 -8.608 14.010 -2.521 1.00 0.00 C ATOM 3 C ASP A 1 -9.152 13.166 -1.374 1.00 0.00 C ATOM 4 O ASP A 1 -9.522 13.691 -0.325 1.00 0.00 O ATOM 5 CB ASP A 1 -7.536 14.969 -2.001 1.00 0.00 C ATOM 6 CG ASP A 1 -6.710 15.576 -3.118 1.00 0.00 C ATOM 7 OD1 ASP A 1 -7.307 16.034 -4.116 1.00 0.00 O ATOM 8 OD2 ASP A 1 -5.468 15.595 -2.996 1.00 0.00 O ATOM 0 H1 ASP A 1 -9.270 15.511 -3.758 1.00 0.00 H new ATOM 0 H2 ASP A 1 -10.229 14.110 -3.780 1.00 0.00 H new ATOM 0 H3 ASP A 1 -10.303 15.169 -2.455 1.00 0.00 H new ATOM 0 HA ASP A 1 -8.161 13.343 -3.258 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -8.012 15.767 -1.431 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -6.878 14.436 -1.315 1.00 0.00 H new ATOM 13 N VAL A 2 -9.198 11.854 -1.582 1.00 0.00 N ATOM 14 CA VAL A 2 -9.697 10.937 -0.564 1.00 0.00 C ATOM 15 C VAL A 2 -8.718 9.792 -0.326 1.00 0.00 C ATOM 16 O VAL A 2 -8.284 9.127 -1.268 1.00 0.00 O ATOM 17 CB VAL A 2 -11.066 10.351 -0.957 1.00 0.00 C ATOM 18 CG1 VAL A 2 -12.169 11.369 -0.718 1.00 0.00 C ATOM 19 CG2 VAL A 2 -11.055 9.892 -2.408 1.00 0.00 C ATOM 0 H VAL A 2 -8.896 11.403 -2.445 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.807 11.515 0.354 1.00 0.00 H new ATOM 0 HB VAL A 2 -11.264 9.482 -0.329 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -13.129 10.938 -1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -12.190 11.641 0.337 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -11.979 12.259 -1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -12.031 9.481 -2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -10.835 10.740 -3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.292 9.126 -2.541 1.00 0.00 H new ATOM 29 N ASN A 3 -8.373 9.568 0.937 1.00 0.00 N ATOM 30 CA ASN A 3 -7.445 8.503 1.298 1.00 0.00 C ATOM 31 C ASN A 3 -8.045 7.134 0.991 1.00 0.00 C ATOM 32 O ASN A 3 -9.248 7.007 0.767 1.00 0.00 O ATOM 33 CB ASN A 3 -7.083 8.598 2.782 1.00 0.00 C ATOM 34 CG ASN A 3 -5.603 8.840 3.003 1.00 0.00 C ATOM 35 OD1 ASN A 3 -5.042 9.820 2.511 1.00 0.00 O ATOM 36 ND2 ASN A 3 -4.960 7.945 3.743 1.00 0.00 N ATOM 0 H ASN A 3 -8.722 10.110 1.728 1.00 0.00 H new ATOM 0 HA ASN A 3 -6.539 8.622 0.703 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -7.653 9.406 3.241 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -7.376 7.676 3.284 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -3.962 8.055 3.923 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -5.464 7.148 4.131 1.00 0.00 H new ATOM 43 N GLU A 4 -7.195 6.111 0.980 1.00 0.00 N ATOM 44 CA GLU A 4 -7.640 4.752 0.700 1.00 0.00 C ATOM 45 C GLU A 4 -7.029 3.761 1.687 1.00 0.00 C ATOM 46 O GLU A 4 -7.718 2.885 2.208 1.00 0.00 O ATOM 47 CB GLU A 4 -7.272 4.356 -0.732 1.00 0.00 C ATOM 48 CG GLU A 4 -8.377 4.621 -1.740 1.00 0.00 C ATOM 49 CD GLU A 4 -7.868 5.282 -3.005 1.00 0.00 C ATOM 50 OE1 GLU A 4 -7.013 4.680 -3.687 1.00 0.00 O ATOM 51 OE2 GLU A 4 -8.326 6.402 -3.316 1.00 0.00 O ATOM 0 H GLU A 4 -6.195 6.199 1.162 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.724 4.724 0.811 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.379 4.903 -1.033 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.019 3.296 -0.753 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.862 3.679 -1.997 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.136 5.256 -1.283 1.00 0.00 H new ATOM 58 N CYS A 5 -5.732 3.907 1.939 1.00 0.00 N ATOM 59 CA CYS A 5 -5.032 3.025 2.865 1.00 0.00 C ATOM 60 C CYS A 5 -5.082 3.578 4.285 1.00 0.00 C ATOM 61 O CYS A 5 -4.053 3.917 4.871 1.00 0.00 O ATOM 62 CB CYS A 5 -3.577 2.841 2.423 1.00 0.00 C ATOM 63 SG CYS A 5 -2.623 1.690 3.464 1.00 0.00 S ATOM 0 H CYS A 5 -5.146 4.626 1.516 1.00 0.00 H new ATOM 0 HA CYS A 5 -5.531 2.056 2.856 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -3.564 2.480 1.395 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -3.082 3.812 2.426 1.00 0.00 H new ATOM 68 N ILE A 6 -6.288 3.668 4.835 1.00 0.00 N ATOM 69 CA ILE A 6 -6.478 4.178 6.187 1.00 0.00 C ATOM 70 C ILE A 6 -6.592 3.041 7.195 1.00 0.00 C ATOM 71 O ILE A 6 -6.130 3.155 8.330 1.00 0.00 O ATOM 72 CB ILE A 6 -7.737 5.062 6.283 1.00 0.00 C ATOM 73 CG1 ILE A 6 -7.760 6.085 5.147 1.00 0.00 C ATOM 74 CG2 ILE A 6 -7.791 5.760 7.634 1.00 0.00 C ATOM 75 CD1 ILE A 6 -9.105 6.754 4.964 1.00 0.00 C ATOM 0 H ILE A 6 -7.150 3.394 4.364 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.600 4.780 6.422 1.00 0.00 H new ATOM 0 HB ILE A 6 -8.617 4.426 6.188 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.007 6.849 5.341 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -7.480 5.590 4.217 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.685 6.381 7.687 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.819 5.014 8.428 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.907 6.386 7.756 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -9.048 7.467 4.142 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -9.859 6.000 4.739 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.378 7.278 5.880 1.00 0.00 H new ATOM 87 N SER A 7 -7.213 1.944 6.772 1.00 0.00 N ATOM 88 CA SER A 7 -7.388 0.785 7.640 1.00 0.00 C ATOM 89 C SER A 7 -6.901 -0.487 6.956 1.00 0.00 C ATOM 90 O SER A 7 -7.623 -1.483 6.879 1.00 0.00 O ATOM 91 CB SER A 7 -8.857 0.639 8.041 1.00 0.00 C ATOM 92 OG SER A 7 -8.988 -0.107 9.239 1.00 0.00 O ATOM 0 H SER A 7 -7.602 1.834 5.836 1.00 0.00 H new ATOM 0 HA SER A 7 -6.790 0.940 8.538 1.00 0.00 H new ATOM 0 HB2 SER A 7 -9.301 1.626 8.173 1.00 0.00 H new ATOM 0 HB3 SER A 7 -9.408 0.146 7.240 1.00 0.00 H new ATOM 0 HG SER A 7 -9.936 -0.184 9.474 1.00 0.00 H new ATOM 98 N ASN A 8 -5.667 -0.448 6.463 1.00 0.00 N ATOM 99 CA ASN A 8 -5.071 -1.595 5.786 1.00 0.00 C ATOM 100 C ASN A 8 -5.974 -2.106 4.661 1.00 0.00 C ATOM 101 O ASN A 8 -6.897 -2.883 4.904 1.00 0.00 O ATOM 102 CB ASN A 8 -4.807 -2.720 6.789 1.00 0.00 C ATOM 103 CG ASN A 8 -3.403 -2.666 7.361 1.00 0.00 C ATOM 104 OD1 ASN A 8 -3.194 -2.205 8.483 1.00 0.00 O ATOM 105 ND2 ASN A 8 -2.432 -3.141 6.588 1.00 0.00 N ATOM 0 H ASN A 8 -5.058 0.369 6.520 1.00 0.00 H new ATOM 0 HA ASN A 8 -4.127 -1.272 5.347 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -5.530 -2.656 7.602 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.961 -3.682 6.301 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.467 -3.133 6.918 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.652 -3.514 5.664 1.00 0.00 H new ATOM 112 N PRO A 9 -5.717 -1.679 3.413 1.00 0.00 N ATOM 113 CA PRO A 9 -6.512 -2.108 2.256 1.00 0.00 C ATOM 114 C PRO A 9 -6.329 -3.591 1.955 1.00 0.00 C ATOM 115 O PRO A 9 -7.277 -4.283 1.586 1.00 0.00 O ATOM 116 CB PRO A 9 -5.968 -1.252 1.107 1.00 0.00 C ATOM 117 CG PRO A 9 -4.589 -0.881 1.528 1.00 0.00 C ATOM 118 CD PRO A 9 -4.633 -0.757 3.026 1.00 0.00 C ATOM 0 HA PRO A 9 -7.581 -1.980 2.423 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.959 -1.808 0.170 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.584 -0.367 0.947 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.870 -1.640 1.220 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.279 0.057 1.068 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.684 -1.040 3.481 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.844 0.266 3.339 1.00 0.00 H new ATOM 126 N CYS A 10 -5.102 -4.071 2.125 1.00 0.00 N ATOM 127 CA CYS A 10 -4.786 -5.473 1.881 1.00 0.00 C ATOM 128 C CYS A 10 -5.397 -6.351 2.969 1.00 0.00 C ATOM 129 O CYS A 10 -5.133 -6.155 4.155 1.00 0.00 O ATOM 130 CB CYS A 10 -3.264 -5.687 1.828 1.00 0.00 C ATOM 131 SG CYS A 10 -2.313 -4.259 1.199 1.00 0.00 S ATOM 0 H CYS A 10 -4.309 -3.508 2.432 1.00 0.00 H new ATOM 0 HA CYS A 10 -5.210 -5.755 0.917 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.910 -5.929 2.830 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.054 -6.552 1.198 1.00 0.00 H new ATOM 136 N GLN A 11 -6.215 -7.318 2.563 1.00 0.00 N ATOM 137 CA GLN A 11 -6.860 -8.220 3.513 1.00 0.00 C ATOM 138 C GLN A 11 -6.028 -9.475 3.718 1.00 0.00 C ATOM 139 O GLN A 11 -6.548 -10.591 3.734 1.00 0.00 O ATOM 140 CB GLN A 11 -8.267 -8.586 3.039 1.00 0.00 C ATOM 141 CG GLN A 11 -9.078 -7.395 2.556 1.00 0.00 C ATOM 142 CD GLN A 11 -9.782 -6.672 3.688 1.00 0.00 C ATOM 143 OE1 GLN A 11 -9.319 -5.633 4.160 1.00 0.00 O ATOM 144 NE2 GLN A 11 -10.907 -7.221 4.132 1.00 0.00 N ATOM 0 H GLN A 11 -6.447 -7.497 1.586 1.00 0.00 H new ATOM 0 HA GLN A 11 -6.940 -7.702 4.469 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -8.191 -9.314 2.231 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -8.801 -9.071 3.856 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -8.420 -6.698 2.038 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.818 -7.734 1.830 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -11.254 -8.083 3.712 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -11.424 -6.781 4.893 1.00 0.00 H new ATOM 153 N ASN A 12 -4.732 -9.274 3.877 1.00 0.00 N ATOM 154 CA ASN A 12 -3.799 -10.367 4.086 1.00 0.00 C ATOM 155 C ASN A 12 -2.610 -9.886 4.916 1.00 0.00 C ATOM 156 O ASN A 12 -2.691 -8.852 5.580 1.00 0.00 O ATOM 157 CB ASN A 12 -3.334 -10.911 2.733 1.00 0.00 C ATOM 158 CG ASN A 12 -4.222 -12.030 2.224 1.00 0.00 C ATOM 159 OD1 ASN A 12 -3.991 -13.204 2.513 1.00 0.00 O ATOM 160 ND2 ASN A 12 -5.248 -11.668 1.461 1.00 0.00 N ATOM 0 H ASN A 12 -4.297 -8.351 3.865 1.00 0.00 H new ATOM 0 HA ASN A 12 -4.294 -11.170 4.632 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -3.321 -10.101 2.004 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.311 -11.275 2.823 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.882 -12.376 1.090 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -5.402 -10.683 1.247 1.00 0.00 H new ATOM 167 N ASP A 13 -1.504 -10.622 4.869 1.00 0.00 N ATOM 168 CA ASP A 13 -0.308 -10.243 5.609 1.00 0.00 C ATOM 169 C ASP A 13 0.591 -9.351 4.754 1.00 0.00 C ATOM 170 O ASP A 13 1.805 -9.304 4.954 1.00 0.00 O ATOM 171 CB ASP A 13 0.461 -11.490 6.052 1.00 0.00 C ATOM 172 CG ASP A 13 -0.320 -12.329 7.043 1.00 0.00 C ATOM 173 OD1 ASP A 13 -1.105 -11.749 7.823 1.00 0.00 O ATOM 174 OD2 ASP A 13 -0.148 -13.566 7.040 1.00 0.00 O ATOM 0 H ASP A 13 -1.412 -11.482 4.328 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.615 -9.685 6.494 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.701 -12.095 5.178 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.407 -11.189 6.501 1.00 0.00 H new ATOM 179 N ALA A 14 -0.014 -8.647 3.799 1.00 0.00 N ATOM 180 CA ALA A 14 0.717 -7.762 2.911 1.00 0.00 C ATOM 181 C ALA A 14 1.184 -6.507 3.638 1.00 0.00 C ATOM 182 O ALA A 14 1.011 -6.374 4.850 1.00 0.00 O ATOM 183 CB ALA A 14 -0.166 -7.397 1.730 1.00 0.00 C ATOM 0 H ALA A 14 -1.018 -8.677 3.624 1.00 0.00 H new ATOM 0 HA ALA A 14 1.607 -8.281 2.555 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.379 -6.732 1.060 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.448 -8.303 1.193 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.064 -6.894 2.089 1.00 0.00 H new ATOM 189 N THR A 15 1.780 -5.591 2.885 1.00 0.00 N ATOM 190 CA THR A 15 2.277 -4.341 3.445 1.00 0.00 C ATOM 191 C THR A 15 1.775 -3.152 2.631 1.00 0.00 C ATOM 192 O THR A 15 1.913 -3.120 1.408 1.00 0.00 O ATOM 193 CB THR A 15 3.807 -4.356 3.476 1.00 0.00 C ATOM 194 OG1 THR A 15 4.277 -5.366 4.347 1.00 0.00 O ATOM 195 CG2 THR A 15 4.421 -3.050 3.929 1.00 0.00 C ATOM 0 H THR A 15 1.931 -5.691 1.881 1.00 0.00 H new ATOM 0 HA THR A 15 1.903 -4.241 4.464 1.00 0.00 H new ATOM 0 HB THR A 15 4.108 -4.539 2.445 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.507 -3.138 3.925 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.119 -2.252 3.251 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.079 -2.818 4.938 1.00 0.00 H new ATOM 202 N CYS A 16 1.184 -2.179 3.317 1.00 0.00 N ATOM 203 CA CYS A 16 0.655 -0.992 2.654 1.00 0.00 C ATOM 204 C CYS A 16 1.561 0.214 2.877 1.00 0.00 C ATOM 205 O CYS A 16 2.136 0.385 3.952 1.00 0.00 O ATOM 206 CB CYS A 16 -0.755 -0.685 3.162 1.00 0.00 C ATOM 207 SG CYS A 16 -1.679 0.493 2.123 1.00 0.00 S ATOM 0 H CYS A 16 1.059 -2.189 4.329 1.00 0.00 H new ATOM 0 HA CYS A 16 0.615 -1.196 1.584 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.318 -1.616 3.225 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.686 -0.285 4.174 1.00 0.00 H new ATOM 212 N LEU A 17 1.678 1.052 1.851 1.00 0.00 N ATOM 213 CA LEU A 17 2.506 2.248 1.929 1.00 0.00 C ATOM 214 C LEU A 17 1.867 3.394 1.152 1.00 0.00 C ATOM 215 O LEU A 17 2.071 3.531 -0.055 1.00 0.00 O ATOM 216 CB LEU A 17 3.907 1.963 1.382 1.00 0.00 C ATOM 217 CG LEU A 17 3.943 1.266 0.018 1.00 0.00 C ATOM 218 CD1 LEU A 17 4.969 1.922 -0.891 1.00 0.00 C ATOM 219 CD2 LEU A 17 4.245 -0.215 0.186 1.00 0.00 C ATOM 0 H LEU A 17 1.208 0.923 0.955 1.00 0.00 H new ATOM 0 HA LEU A 17 2.588 2.539 2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.449 2.906 1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.443 1.345 2.103 1.00 0.00 H new ATOM 0 HG LEU A 17 2.962 1.367 -0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.980 1.413 -1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.708 2.970 -1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.956 1.854 -0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.267 -0.695 -0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.213 -0.336 0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.471 -0.677 0.799 1.00 0.00 H new ATOM 231 N ASP A 18 1.089 4.213 1.853 1.00 0.00 N ATOM 232 CA ASP A 18 0.413 5.346 1.231 1.00 0.00 C ATOM 233 C ASP A 18 1.061 6.664 1.647 1.00 0.00 C ATOM 234 O ASP A 18 1.137 6.981 2.834 1.00 0.00 O ATOM 235 CB ASP A 18 -1.073 5.345 1.604 1.00 0.00 C ATOM 236 CG ASP A 18 -1.305 5.630 3.076 1.00 0.00 C ATOM 237 OD1 ASP A 18 -0.604 5.025 3.915 1.00 0.00 O ATOM 238 OD2 ASP A 18 -2.186 6.459 3.389 1.00 0.00 O ATOM 0 H ASP A 18 0.911 4.113 2.852 1.00 0.00 H new ATOM 0 HA ASP A 18 0.507 5.247 0.150 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.594 6.093 1.006 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.506 4.377 1.352 1.00 0.00 H new ATOM 243 N GLN A 19 1.529 7.424 0.663 1.00 0.00 N ATOM 244 CA GLN A 19 2.171 8.707 0.927 1.00 0.00 C ATOM 245 C GLN A 19 1.818 9.725 -0.153 1.00 0.00 C ATOM 246 O GLN A 19 2.604 9.970 -1.068 1.00 0.00 O ATOM 247 CB GLN A 19 3.689 8.532 1.008 1.00 0.00 C ATOM 248 CG GLN A 19 4.218 8.462 2.432 1.00 0.00 C ATOM 249 CD GLN A 19 5.714 8.228 2.487 1.00 0.00 C ATOM 250 OE1 GLN A 19 6.172 7.169 2.916 1.00 0.00 O ATOM 251 NE2 GLN A 19 6.485 9.218 2.052 1.00 0.00 N ATOM 0 H GLN A 19 1.476 7.174 -0.325 1.00 0.00 H new ATOM 0 HA GLN A 19 1.804 9.081 1.883 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.970 7.621 0.480 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.170 9.362 0.491 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.980 9.391 2.950 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.709 7.660 2.966 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.062 10.079 1.705 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.500 9.118 2.065 1.00 0.00 H new ATOM 260 N ILE A 20 0.634 10.317 -0.037 1.00 0.00 N ATOM 261 CA ILE A 20 0.176 11.312 -0.998 1.00 0.00 C ATOM 262 C ILE A 20 0.200 10.758 -2.421 1.00 0.00 C ATOM 263 O ILE A 20 1.259 10.643 -3.035 1.00 0.00 O ATOM 264 CB ILE A 20 1.043 12.586 -0.933 1.00 0.00 C ATOM 265 CG1 ILE A 20 1.042 13.155 0.486 1.00 0.00 C ATOM 266 CG2 ILE A 20 0.546 13.626 -1.928 1.00 0.00 C ATOM 267 CD1 ILE A 20 2.390 13.683 0.925 1.00 0.00 C ATOM 0 H ILE A 20 -0.027 10.124 0.715 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.851 11.565 -0.733 1.00 0.00 H new ATOM 0 HB ILE A 20 2.066 12.322 -1.201 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.309 13.959 0.546 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.721 12.378 1.180 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.171 14.517 -1.866 1.00 0.00 H new ATOM 0 HG22 ILE A 20 0.596 13.217 -2.937 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.485 13.890 -1.694 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.315 14.071 1.941 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.123 12.877 0.897 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.704 14.482 0.253 1.00 0.00 H new ATOM 279 N GLY A 21 -0.978 10.420 -2.938 1.00 0.00 N ATOM 280 CA GLY A 21 -1.071 9.885 -4.284 1.00 0.00 C ATOM 281 C GLY A 21 -1.573 8.455 -4.307 1.00 0.00 C ATOM 282 O GLY A 21 -2.564 8.127 -3.655 1.00 0.00 O ATOM 0 H GLY A 21 -1.869 10.507 -2.449 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.740 10.511 -4.875 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.090 9.930 -4.758 1.00 0.00 H new ATOM 286 N GLU A 22 -0.888 7.602 -5.061 1.00 0.00 N ATOM 287 CA GLU A 22 -1.269 6.200 -5.169 1.00 0.00 C ATOM 288 C GLU A 22 -0.347 5.318 -4.332 1.00 0.00 C ATOM 289 O GLU A 22 0.857 5.250 -4.582 1.00 0.00 O ATOM 290 CB GLU A 22 -1.235 5.752 -6.631 1.00 0.00 C ATOM 291 CG GLU A 22 -2.596 5.786 -7.309 1.00 0.00 C ATOM 292 CD GLU A 22 -2.848 4.566 -8.174 1.00 0.00 C ATOM 293 OE1 GLU A 22 -2.310 3.486 -7.848 1.00 0.00 O ATOM 294 OE2 GLU A 22 -3.582 4.690 -9.176 1.00 0.00 O ATOM 0 H GLU A 22 -0.065 7.858 -5.607 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.285 6.095 -4.788 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.547 6.393 -7.183 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.838 4.738 -6.683 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.375 5.855 -6.549 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.669 6.684 -7.923 1.00 0.00 H new ATOM 301 N PHE A 23 -0.919 4.646 -3.340 1.00 0.00 N ATOM 302 CA PHE A 23 -0.149 3.768 -2.467 1.00 0.00 C ATOM 303 C PHE A 23 0.133 2.434 -3.150 1.00 0.00 C ATOM 304 O PHE A 23 -0.389 2.157 -4.229 1.00 0.00 O ATOM 305 CB PHE A 23 -0.893 3.537 -1.152 1.00 0.00 C ATOM 306 CG PHE A 23 -2.189 2.794 -1.312 1.00 0.00 C ATOM 307 CD1 PHE A 23 -3.351 3.467 -1.652 1.00 0.00 C ATOM 308 CD2 PHE A 23 -2.245 1.422 -1.121 1.00 0.00 C ATOM 309 CE1 PHE A 23 -4.545 2.789 -1.800 1.00 0.00 C ATOM 310 CE2 PHE A 23 -3.437 0.737 -1.268 1.00 0.00 C ATOM 311 CZ PHE A 23 -4.588 1.421 -1.608 1.00 0.00 C ATOM 0 H PHE A 23 -1.914 4.692 -3.120 1.00 0.00 H new ATOM 0 HA PHE A 23 0.803 4.254 -2.253 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.247 2.981 -0.473 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.093 4.501 -0.684 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.323 4.536 -1.803 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -1.348 0.883 -0.855 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -5.443 3.327 -2.065 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.468 -0.332 -1.117 1.00 0.00 H new ATOM 0 HZ PHE A 23 -5.520 0.888 -1.724 1.00 0.00 H new ATOM 321 N GLN A 24 0.964 1.612 -2.518 1.00 0.00 N ATOM 322 CA GLN A 24 1.314 0.309 -3.071 1.00 0.00 C ATOM 323 C GLN A 24 1.237 -0.781 -2.006 1.00 0.00 C ATOM 324 O GLN A 24 1.767 -0.628 -0.906 1.00 0.00 O ATOM 325 CB GLN A 24 2.721 0.350 -3.671 1.00 0.00 C ATOM 326 CG GLN A 24 2.904 1.433 -4.721 1.00 0.00 C ATOM 327 CD GLN A 24 3.078 0.867 -6.118 1.00 0.00 C ATOM 328 OE1 GLN A 24 4.071 1.140 -6.792 1.00 0.00 O ATOM 329 NE2 GLN A 24 2.108 0.075 -6.561 1.00 0.00 N ATOM 0 H GLN A 24 1.407 1.825 -1.624 1.00 0.00 H new ATOM 0 HA GLN A 24 0.594 0.073 -3.855 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.444 0.506 -2.870 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.945 -0.619 -4.118 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.040 2.097 -4.707 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.775 2.037 -4.467 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.302 -0.125 -5.968 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.169 -0.333 -7.494 1.00 0.00 H new ATOM 338 N CYS A 25 0.575 -1.883 -2.345 1.00 0.00 N ATOM 339 CA CYS A 25 0.431 -3.004 -1.424 1.00 0.00 C ATOM 340 C CYS A 25 1.404 -4.122 -1.783 1.00 0.00 C ATOM 341 O CYS A 25 1.425 -4.597 -2.919 1.00 0.00 O ATOM 342 CB CYS A 25 -1.007 -3.533 -1.447 1.00 0.00 C ATOM 343 SG CYS A 25 -1.289 -4.997 -0.392 1.00 0.00 S ATOM 0 H CYS A 25 0.130 -2.023 -3.252 1.00 0.00 H new ATOM 0 HA CYS A 25 0.661 -2.651 -0.419 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -1.679 -2.736 -1.129 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.273 -3.784 -2.474 1.00 0.00 H new ATOM 348 N ILE A 26 2.205 -4.542 -0.811 1.00 0.00 N ATOM 349 CA ILE A 26 3.175 -5.608 -1.029 1.00 0.00 C ATOM 350 C ILE A 26 2.553 -6.964 -0.731 1.00 0.00 C ATOM 351 O ILE A 26 2.522 -7.408 0.417 1.00 0.00 O ATOM 352 CB ILE A 26 4.427 -5.425 -0.149 1.00 0.00 C ATOM 353 CG1 ILE A 26 4.902 -3.971 -0.189 1.00 0.00 C ATOM 354 CG2 ILE A 26 5.537 -6.361 -0.606 1.00 0.00 C ATOM 355 CD1 ILE A 26 5.279 -3.495 -1.574 1.00 0.00 C ATOM 0 H ILE A 26 2.202 -4.161 0.135 1.00 0.00 H new ATOM 0 HA ILE A 26 3.474 -5.561 -2.076 1.00 0.00 H new ATOM 0 HB ILE A 26 4.166 -5.673 0.880 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.114 -3.329 0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.762 -3.860 0.471 1.00 0.00 H new ATOM 0 HG21 ILE A 26 6.415 -6.220 0.025 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.197 -7.394 -0.529 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.796 -6.140 -1.642 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.606 -2.456 -1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.089 -4.112 -1.963 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.415 -3.573 -2.233 1.00 0.00 H new ATOM 367 N CYS A 27 2.044 -7.613 -1.773 1.00 0.00 N ATOM 368 CA CYS A 27 1.406 -8.914 -1.622 1.00 0.00 C ATOM 369 C CYS A 27 2.435 -10.036 -1.560 1.00 0.00 C ATOM 370 O CYS A 27 3.640 -9.798 -1.630 1.00 0.00 O ATOM 371 CB CYS A 27 0.430 -9.162 -2.774 1.00 0.00 C ATOM 372 SG CYS A 27 -1.121 -9.977 -2.273 1.00 0.00 S ATOM 0 H CYS A 27 2.061 -7.259 -2.730 1.00 0.00 H new ATOM 0 HA CYS A 27 0.857 -8.908 -0.680 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.191 -8.209 -3.245 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.923 -9.775 -3.528 1.00 0.00 H new ATOM 377 N MET A 28 1.941 -11.260 -1.420 1.00 0.00 N ATOM 378 CA MET A 28 2.798 -12.435 -1.338 1.00 0.00 C ATOM 379 C MET A 28 3.190 -12.926 -2.730 1.00 0.00 C ATOM 380 O MET A 28 2.477 -12.687 -3.705 1.00 0.00 O ATOM 381 CB MET A 28 2.080 -13.547 -0.572 1.00 0.00 C ATOM 382 CG MET A 28 1.471 -13.077 0.739 1.00 0.00 C ATOM 383 SD MET A 28 0.131 -14.145 1.304 1.00 0.00 S ATOM 384 CE MET A 28 -0.603 -13.123 2.578 1.00 0.00 C ATOM 0 H MET A 28 0.944 -11.465 -1.361 1.00 0.00 H new ATOM 0 HA MET A 28 3.709 -12.160 -0.807 1.00 0.00 H new ATOM 0 HB2 MET A 28 1.293 -13.963 -1.202 1.00 0.00 H new ATOM 0 HB3 MET A 28 2.785 -14.353 -0.369 1.00 0.00 H new ATOM 0 HG2 MET A 28 2.247 -13.039 1.503 1.00 0.00 H new ATOM 0 HG3 MET A 28 1.094 -12.061 0.617 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.643 -13.414 2.724 1.00 0.00 H new ATOM 0 HE2 MET A 28 -0.055 -13.255 3.511 1.00 0.00 H new ATOM 0 HE3 MET A 28 -0.558 -12.077 2.276 1.00 0.00 H new ATOM 394 N PRO A 29 4.333 -13.627 -2.842 1.00 0.00 N ATOM 395 CA PRO A 29 4.813 -14.155 -4.123 1.00 0.00 C ATOM 396 C PRO A 29 3.802 -15.094 -4.770 1.00 0.00 C ATOM 397 O PRO A 29 3.501 -16.161 -4.238 1.00 0.00 O ATOM 398 CB PRO A 29 6.093 -14.918 -3.751 1.00 0.00 C ATOM 399 CG PRO A 29 6.009 -15.132 -2.278 1.00 0.00 C ATOM 400 CD PRO A 29 5.241 -13.963 -1.735 1.00 0.00 C ATOM 0 HA PRO A 29 4.979 -13.361 -4.852 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.154 -15.867 -4.284 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.983 -14.346 -4.015 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.505 -16.071 -2.048 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.003 -15.186 -1.834 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.695 -14.224 -0.829 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.897 -13.130 -1.483 1.00 0.00 H new ATOM 408 N GLY A 30 3.275 -14.685 -5.919 1.00 0.00 N ATOM 409 CA GLY A 30 2.298 -15.498 -6.617 1.00 0.00 C ATOM 410 C GLY A 30 0.897 -15.318 -6.065 1.00 0.00 C ATOM 411 O GLY A 30 0.048 -16.197 -6.207 1.00 0.00 O ATOM 0 H GLY A 30 3.507 -13.805 -6.379 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.304 -15.240 -7.676 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.583 -16.547 -6.543 1.00 0.00 H new ATOM 415 N TYR A 31 0.658 -14.173 -5.431 1.00 0.00 N ATOM 416 CA TYR A 31 -0.646 -13.876 -4.853 1.00 0.00 C ATOM 417 C TYR A 31 -1.391 -12.857 -5.712 1.00 0.00 C ATOM 418 O TYR A 31 -0.888 -11.761 -5.965 1.00 0.00 O ATOM 419 CB TYR A 31 -0.481 -13.344 -3.426 1.00 0.00 C ATOM 420 CG TYR A 31 -1.635 -13.681 -2.511 1.00 0.00 C ATOM 421 CD1 TYR A 31 -2.901 -13.157 -2.735 1.00 0.00 C ATOM 422 CD2 TYR A 31 -1.459 -14.525 -1.422 1.00 0.00 C ATOM 423 CE1 TYR A 31 -3.959 -13.464 -1.901 1.00 0.00 C ATOM 424 CE2 TYR A 31 -2.511 -14.837 -0.582 1.00 0.00 C ATOM 425 CZ TYR A 31 -3.759 -14.304 -0.826 1.00 0.00 C ATOM 426 OH TYR A 31 -4.811 -14.612 0.007 1.00 0.00 O ATOM 0 H TYR A 31 1.352 -13.436 -5.305 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.230 -14.796 -4.822 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.437 -13.749 -3.001 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.364 -12.261 -3.464 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.062 -12.498 -3.576 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.483 -14.945 -1.228 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.938 -13.048 -2.090 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.357 -15.495 0.261 1.00 0.00 H new ATOM 0 HH TYR A 31 -4.627 -14.270 0.907 1.00 0.00 H new ATOM 436 N GLU A 32 -2.583 -13.226 -6.168 1.00 0.00 N ATOM 437 CA GLU A 32 -3.386 -12.344 -7.010 1.00 0.00 C ATOM 438 C GLU A 32 -4.302 -11.458 -6.171 1.00 0.00 C ATOM 439 O GLU A 32 -4.529 -11.720 -4.990 1.00 0.00 O ATOM 440 CB GLU A 32 -4.219 -13.166 -7.996 1.00 0.00 C ATOM 441 CG GLU A 32 -4.518 -12.436 -9.294 1.00 0.00 C ATOM 442 CD GLU A 32 -5.181 -13.328 -10.325 1.00 0.00 C ATOM 443 OE1 GLU A 32 -4.859 -14.533 -10.361 1.00 0.00 O ATOM 444 OE2 GLU A 32 -6.022 -12.819 -11.098 1.00 0.00 O ATOM 0 H GLU A 32 -3.015 -14.128 -5.970 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.703 -11.700 -7.564 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.690 -14.092 -8.223 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.159 -13.445 -7.520 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.165 -11.584 -9.086 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.590 -12.039 -9.705 1.00 0.00 H new ATOM 451 N GLY A 33 -4.827 -10.406 -6.791 1.00 0.00 N ATOM 452 CA GLY A 33 -5.712 -9.494 -6.092 1.00 0.00 C ATOM 453 C GLY A 33 -5.097 -8.120 -5.906 1.00 0.00 C ATOM 454 O GLY A 33 -3.937 -8.000 -5.515 1.00 0.00 O ATOM 0 H GLY A 33 -4.654 -10.169 -7.768 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.645 -9.399 -6.648 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.963 -9.912 -5.117 1.00 0.00 H new ATOM 458 N VAL A 34 -5.878 -7.082 -6.189 1.00 0.00 N ATOM 459 CA VAL A 34 -5.405 -5.710 -6.052 1.00 0.00 C ATOM 460 C VAL A 34 -4.917 -5.435 -4.632 1.00 0.00 C ATOM 461 O VAL A 34 -3.985 -4.658 -4.424 1.00 0.00 O ATOM 462 CB VAL A 34 -6.509 -4.699 -6.416 1.00 0.00 C ATOM 463 CG1 VAL A 34 -6.009 -3.269 -6.259 1.00 0.00 C ATOM 464 CG2 VAL A 34 -6.996 -4.944 -7.834 1.00 0.00 C ATOM 0 H VAL A 34 -6.841 -7.166 -6.515 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.572 -5.589 -6.745 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.345 -4.839 -5.731 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.806 -2.574 -6.522 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.707 -3.101 -5.225 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.155 -3.108 -6.917 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.776 -4.224 -8.080 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.164 -4.830 -8.529 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.398 -5.954 -7.911 1.00 0.00 H new ATOM 474 N TYR A 35 -5.553 -6.078 -3.658 1.00 0.00 N ATOM 475 CA TYR A 35 -5.182 -5.906 -2.259 1.00 0.00 C ATOM 476 C TYR A 35 -5.092 -7.255 -1.552 1.00 0.00 C ATOM 477 O TYR A 35 -5.596 -7.421 -0.441 1.00 0.00 O ATOM 478 CB TYR A 35 -6.198 -5.010 -1.549 1.00 0.00 C ATOM 479 CG TYR A 35 -6.504 -3.739 -2.305 1.00 0.00 C ATOM 480 CD1 TYR A 35 -5.544 -2.745 -2.446 1.00 0.00 C ATOM 481 CD2 TYR A 35 -7.751 -3.535 -2.878 1.00 0.00 C ATOM 482 CE1 TYR A 35 -5.822 -1.581 -3.138 1.00 0.00 C ATOM 483 CE2 TYR A 35 -8.036 -2.374 -3.571 1.00 0.00 C ATOM 484 CZ TYR A 35 -7.068 -1.401 -3.698 1.00 0.00 C ATOM 485 OH TYR A 35 -7.347 -0.243 -4.389 1.00 0.00 O ATOM 0 H TYR A 35 -6.328 -6.723 -3.812 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.202 -5.431 -2.222 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.123 -5.568 -1.400 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.818 -4.754 -0.560 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.566 -2.884 -2.009 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.511 -4.296 -2.781 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.066 -0.816 -3.239 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -9.012 -2.230 -4.011 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.268 -0.274 -4.721 1.00 0.00 H new ATOM 495 N CYS A 36 -4.450 -8.220 -2.205 1.00 0.00 N ATOM 496 CA CYS A 36 -4.300 -9.553 -1.636 1.00 0.00 C ATOM 497 C CYS A 36 -5.660 -10.155 -1.302 1.00 0.00 C ATOM 498 O CYS A 36 -6.270 -9.810 -0.290 1.00 0.00 O ATOM 499 CB CYS A 36 -3.435 -9.497 -0.377 1.00 0.00 C ATOM 500 SG CYS A 36 -1.744 -8.894 -0.672 1.00 0.00 S ATOM 0 H CYS A 36 -4.027 -8.103 -3.126 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.812 -10.186 -2.377 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.918 -8.851 0.356 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -3.384 -10.494 0.062 1.00 0.00 H new ATOM 505 N GLU A 37 -6.135 -11.051 -2.159 1.00 0.00 N ATOM 506 CA GLU A 37 -7.428 -11.690 -1.947 1.00 0.00 C ATOM 507 C GLU A 37 -7.704 -12.755 -3.006 1.00 0.00 C ATOM 508 O GLU A 37 -8.323 -13.780 -2.720 1.00 0.00 O ATOM 509 CB GLU A 37 -8.541 -10.638 -1.957 1.00 0.00 C ATOM 510 CG GLU A 37 -8.751 -9.985 -3.314 1.00 0.00 C ATOM 511 CD GLU A 37 -9.227 -8.549 -3.202 1.00 0.00 C ATOM 512 OE1 GLU A 37 -8.379 -7.656 -2.998 1.00 0.00 O ATOM 513 OE2 GLU A 37 -10.449 -8.320 -3.318 1.00 0.00 O ATOM 0 H GLU A 37 -5.647 -11.350 -3.003 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.404 -12.182 -0.975 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.473 -11.105 -1.640 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.306 -9.866 -1.224 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.817 -10.012 -3.875 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.480 -10.563 -3.882 1.00 0.00 H new ATOM 520 N ILE A 38 -7.248 -12.506 -4.230 1.00 0.00 N ATOM 521 CA ILE A 38 -7.453 -13.447 -5.325 1.00 0.00 C ATOM 522 C ILE A 38 -6.309 -14.454 -5.410 1.00 0.00 C ATOM 523 O ILE A 38 -5.136 -14.082 -5.370 1.00 0.00 O ATOM 524 CB ILE A 38 -7.584 -12.713 -6.675 1.00 0.00 C ATOM 525 CG1 ILE A 38 -8.684 -11.652 -6.597 1.00 0.00 C ATOM 526 CG2 ILE A 38 -7.878 -13.704 -7.794 1.00 0.00 C ATOM 527 CD1 ILE A 38 -9.976 -12.164 -5.999 1.00 0.00 C ATOM 0 H ILE A 38 -6.735 -11.663 -4.488 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.381 -13.979 -5.117 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.638 -12.218 -6.894 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.326 -10.812 -6.002 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -8.882 -11.272 -7.599 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.967 -13.169 -8.740 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.066 -14.428 -7.862 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.812 -14.225 -7.582 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.710 -11.359 -5.975 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -10.358 -12.985 -6.606 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -9.792 -12.518 -4.985 1.00 0.00 H new TER 539 ILE A 38 HETATM 540 C1 FUC A 39 5.591 -5.758 4.155 1.00 0.00 C HETATM 541 C2 FUC A 39 6.125 -6.420 5.423 1.00 0.00 C HETATM 542 C3 FUC A 39 5.306 -7.666 5.743 1.00 0.00 C HETATM 543 C4 FUC A 39 5.279 -8.590 4.530 1.00 0.00 C HETATM 544 C5 FUC A 39 4.783 -7.828 3.305 1.00 0.00 C HETATM 545 C6 FUC A 39 4.802 -8.673 2.046 1.00 0.00 C HETATM 546 O2 FUC A 39 6.051 -5.505 6.507 1.00 0.00 O HETATM 547 O3 FUC A 39 5.879 -8.346 6.850 1.00 0.00 O HETATM 548 O4 FUC A 39 6.584 -9.095 4.284 1.00 0.00 O HETATM 549 O5 FUC A 39 5.622 -6.682 3.065 1.00 0.00 O HETATM 0 HO4 FUC A 39 6.523 -9.907 3.738 1.00 0.00 H new HETATM 0 HO3 FUC A 39 6.490 -9.040 6.527 1.00 0.00 H new HETATM 0 HO2 FUC A 39 5.228 -4.978 6.435 1.00 0.00 H new HETATM 0 H63 FUC A 39 5.821 -9.003 1.845 1.00 0.00 H new HETATM 0 H62 FUC A 39 4.159 -9.543 2.182 1.00 0.00 H new HETATM 0 H61 FUC A 39 4.439 -8.082 1.205 1.00 0.00 H new HETATM 0 H5 FUC A 39 3.755 -7.536 3.522 1.00 0.00 H new HETATM 0 H4 FUC A 39 4.602 -9.421 4.730 1.00 0.00 H new HETATM 0 H3 FUC A 39 4.287 -7.370 5.992 1.00 0.00 H new HETATM 0 H2 FUC A 39 7.164 -6.709 5.265 1.00 0.00 H new