USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 246 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 Single : A 1 SER N :NH3+ -136:sc= -2.94! (180deg=-6.38!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.217 USER MOD Single : A 7 SER OG : rot 118:sc= 0.817 USER MOD Single : A 9 GLN : amide:sc= -0.84 K(o=-0.84,f=-2.9!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -4.29! C(o=-4.3!,f=-11!) USER MOD Single : A 16 ASN : amide:sc= -0.624 K(o=-0.62,f=-2!) USER MOD Single : A 19 SER OG : rot -160:sc= -0.956 USER MOD Single : A 20 GLN : amide:sc= -1.54! C(o=-1.5!,f=-3.9!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -91:sc= -0.648! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -4.81! C(o=-4.8!,f=-8.8!) USER MOD Single : A 29 ASN : amide:sc= -0.151 K(o=-0.15,f=-1.1) USER MOD Single : A 31 ASN : amide:sc= -0.0888 K(o=-0.089,f=-1.6) USER MOD Single : A 32 THR OG1 : rot -10:sc= 0.107 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.025 0.864 -8.756 1.00 1.00 N ATOM 2 CA SER A 1 2.719 1.776 -7.618 1.00 1.00 C ATOM 3 C SER A 1 2.764 1.008 -6.304 1.00 1.00 C ATOM 4 O SER A 1 3.426 1.424 -5.353 1.00 1.00 O ATOM 5 CB SER A 1 1.347 2.418 -7.789 1.00 1.00 C ATOM 6 OG SER A 1 1.479 3.815 -8.015 1.00 1.00 O ATOM 0 H1 SER A 1 3.684 1.334 -9.410 1.00 1.00 H new ATOM 0 H2 SER A 1 3.460 -0.009 -8.394 1.00 1.00 H new ATOM 0 H3 SER A 1 2.146 0.630 -9.259 1.00 1.00 H new ATOM 0 HA SER A 1 3.472 2.564 -7.603 1.00 1.00 H new ATOM 0 HB2 SER A 1 0.824 1.956 -8.626 1.00 1.00 H new ATOM 0 HB3 SER A 1 0.743 2.243 -6.899 1.00 1.00 H new ATOM 0 HG SER A 1 0.591 4.214 -8.125 1.00 1.00 H new ATOM 14 N PRO A 2 2.052 -0.128 -6.238 1.00 1.00 N ATOM 15 CA PRO A 2 2.004 -0.968 -5.036 1.00 1.00 C ATOM 16 C PRO A 2 3.241 -1.850 -4.902 1.00 1.00 C ATOM 17 O PRO A 2 3.167 -3.069 -5.050 1.00 1.00 O ATOM 18 CB PRO A 2 0.756 -1.815 -5.235 1.00 1.00 C ATOM 19 CG PRO A 2 0.533 -1.872 -6.713 1.00 1.00 C ATOM 20 CD PRO A 2 1.239 -0.683 -7.328 1.00 1.00 C ATOM 0 HA PRO A 2 1.979 -0.373 -4.123 1.00 1.00 H new ATOM 0 HB2 PRO A 2 0.892 -2.814 -4.821 1.00 1.00 H new ATOM 0 HB3 PRO A 2 -0.101 -1.373 -4.727 1.00 1.00 H new ATOM 0 HG2 PRO A 2 0.923 -2.803 -7.124 1.00 1.00 H new ATOM 0 HG3 PRO A 2 -0.533 -1.845 -6.941 1.00 1.00 H new ATOM 0 HD2 PRO A 2 1.860 -0.984 -8.172 1.00 1.00 H new ATOM 0 HD3 PRO A 2 0.526 0.051 -7.703 1.00 1.00 H new ATOM 28 N THR A 3 4.377 -1.221 -4.618 1.00 1.00 N ATOM 29 CA THR A 3 5.637 -1.936 -4.459 1.00 1.00 C ATOM 30 C THR A 3 6.513 -1.216 -3.441 1.00 1.00 C ATOM 31 O THR A 3 6.005 -0.538 -2.547 1.00 1.00 O ATOM 32 CB THR A 3 6.353 -2.030 -5.806 1.00 1.00 C ATOM 33 OG1 THR A 3 7.304 -3.085 -5.781 1.00 1.00 O ATOM 34 CG2 THR A 3 7.040 -0.711 -6.151 1.00 1.00 C ATOM 0 H THR A 3 4.450 -0.211 -4.493 1.00 1.00 H new ATOM 0 HA THR A 3 5.437 -2.945 -4.098 1.00 1.00 H new ATOM 0 HB THR A 3 5.609 -2.239 -6.575 1.00 1.00 H new ATOM 0 HG1 THR A 3 7.756 -3.138 -6.649 1.00 1.00 H new ATOM 0 HG21 THR A 3 7.542 -0.803 -7.114 1.00 1.00 H new ATOM 0 HG22 THR A 3 6.296 0.084 -6.205 1.00 1.00 H new ATOM 0 HG23 THR A 3 7.773 -0.470 -5.381 1.00 1.00 H new ATOM 42 N CYS A 4 7.828 -1.355 -3.578 1.00 1.00 N ATOM 43 CA CYS A 4 8.759 -0.707 -2.666 1.00 1.00 C ATOM 44 C CYS A 4 8.375 0.755 -2.480 1.00 1.00 C ATOM 45 O CYS A 4 7.803 1.373 -3.375 1.00 1.00 O ATOM 46 CB CYS A 4 10.178 -0.810 -3.214 1.00 1.00 C ATOM 47 SG CYS A 4 10.384 0.085 -4.765 1.00 1.00 S ATOM 0 H CYS A 4 8.270 -1.910 -4.311 1.00 1.00 H new ATOM 0 HA CYS A 4 8.715 -1.208 -1.699 1.00 1.00 H new ATOM 0 HB2 CYS A 4 10.878 -0.419 -2.476 1.00 1.00 H new ATOM 0 HB3 CYS A 4 10.430 -1.859 -3.367 1.00 1.00 H new ATOM 52 N ILE A 5 8.692 1.304 -1.312 1.00 1.00 N ATOM 53 CA ILE A 5 8.377 2.697 -1.013 1.00 1.00 C ATOM 54 C ILE A 5 9.397 3.614 -1.664 1.00 1.00 C ATOM 55 O ILE A 5 10.544 3.685 -1.234 1.00 1.00 O ATOM 56 CB ILE A 5 8.378 2.916 0.494 1.00 1.00 C ATOM 57 CG1 ILE A 5 7.294 2.069 1.153 1.00 1.00 C ATOM 58 CG2 ILE A 5 8.176 4.392 0.827 1.00 1.00 C ATOM 59 CD1 ILE A 5 7.904 0.935 1.968 1.00 1.00 C ATOM 0 H ILE A 5 9.166 0.807 -0.558 1.00 1.00 H new ATOM 0 HA ILE A 5 7.388 2.927 -1.409 1.00 1.00 H new ATOM 0 HB ILE A 5 9.348 2.608 0.884 1.00 1.00 H new ATOM 0 HG12 ILE A 5 6.681 2.697 1.799 1.00 1.00 H new ATOM 0 HG13 ILE A 5 6.634 1.658 0.389 1.00 1.00 H new ATOM 0 HG21 ILE A 5 8.180 4.525 1.909 1.00 1.00 H new ATOM 0 HG22 ILE A 5 8.983 4.978 0.386 1.00 1.00 H new ATOM 0 HG23 ILE A 5 7.221 4.729 0.424 1.00 1.00 H new ATOM 0 HD11 ILE A 5 7.108 0.348 2.426 1.00 1.00 H new ATOM 0 HD12 ILE A 5 8.497 0.295 1.314 1.00 1.00 H new ATOM 0 HD13 ILE A 5 8.544 1.350 2.747 1.00 1.00 H new ATOM 71 N PRO A 6 8.985 4.343 -2.706 1.00 1.00 N ATOM 72 CA PRO A 6 9.871 5.273 -3.417 1.00 1.00 C ATOM 73 C PRO A 6 10.235 6.475 -2.564 1.00 1.00 C ATOM 74 O PRO A 6 9.556 6.782 -1.590 1.00 1.00 O ATOM 75 CB PRO A 6 9.066 5.686 -4.642 1.00 1.00 C ATOM 76 CG PRO A 6 7.638 5.470 -4.265 1.00 1.00 C ATOM 77 CD PRO A 6 7.624 4.341 -3.263 1.00 1.00 C ATOM 0 HA PRO A 6 10.825 4.814 -3.676 1.00 1.00 H new ATOM 0 HB2 PRO A 6 9.251 6.728 -4.901 1.00 1.00 H new ATOM 0 HB3 PRO A 6 9.338 5.088 -5.512 1.00 1.00 H new ATOM 0 HG2 PRO A 6 7.209 6.375 -3.835 1.00 1.00 H new ATOM 0 HG3 PRO A 6 7.040 5.219 -5.141 1.00 1.00 H new ATOM 0 HD2 PRO A 6 6.875 4.504 -2.488 1.00 1.00 H new ATOM 0 HD3 PRO A 6 7.388 3.389 -3.738 1.00 1.00 H new ATOM 85 N SER A 7 11.320 7.143 -2.931 1.00 1.00 N ATOM 86 CA SER A 7 11.794 8.316 -2.199 1.00 1.00 C ATOM 87 C SER A 7 10.672 9.337 -2.024 1.00 1.00 C ATOM 88 O SER A 7 10.076 9.792 -2.999 1.00 1.00 O ATOM 89 CB SER A 7 12.960 8.954 -2.945 1.00 1.00 C ATOM 90 OG SER A 7 13.316 10.189 -2.341 1.00 1.00 O ATOM 0 H SER A 7 11.894 6.893 -3.736 1.00 1.00 H new ATOM 0 HA SER A 7 12.126 7.995 -1.212 1.00 1.00 H new ATOM 0 HB2 SER A 7 13.816 8.279 -2.941 1.00 1.00 H new ATOM 0 HB3 SER A 7 12.688 9.117 -3.988 1.00 1.00 H new ATOM 0 HG SER A 7 14.234 10.135 -2.003 1.00 1.00 H new ATOM 96 N GLY A 8 10.398 9.701 -0.772 1.00 1.00 N ATOM 97 CA GLY A 8 9.357 10.680 -0.463 1.00 1.00 C ATOM 98 C GLY A 8 8.163 10.025 0.224 1.00 1.00 C ATOM 99 O GLY A 8 7.409 10.682 0.941 1.00 1.00 O ATOM 0 H GLY A 8 10.883 9.332 0.046 1.00 1.00 H new ATOM 0 HA2 GLY A 8 9.767 11.458 0.181 1.00 1.00 H new ATOM 0 HA3 GLY A 8 9.028 11.166 -1.382 1.00 1.00 H new ATOM 103 N GLN A 9 7.997 8.728 -0.002 1.00 1.00 N ATOM 104 CA GLN A 9 6.896 7.973 0.588 1.00 1.00 C ATOM 105 C GLN A 9 7.307 7.402 1.939 1.00 1.00 C ATOM 106 O GLN A 9 8.492 7.310 2.247 1.00 1.00 O ATOM 107 CB GLN A 9 6.482 6.843 -0.349 1.00 1.00 C ATOM 108 CG GLN A 9 5.412 7.306 -1.334 1.00 1.00 C ATOM 109 CD GLN A 9 4.828 6.114 -2.079 1.00 1.00 C ATOM 110 OE1 GLN A 9 4.774 5.004 -1.549 1.00 1.00 O ATOM 111 NE2 GLN A 9 4.390 6.343 -3.311 1.00 1.00 N ATOM 0 H GLN A 9 8.615 8.173 -0.594 1.00 1.00 H new ATOM 0 HA GLN A 9 6.051 8.645 0.736 1.00 1.00 H new ATOM 0 HB2 GLN A 9 7.353 6.484 -0.897 1.00 1.00 H new ATOM 0 HB3 GLN A 9 6.104 6.003 0.234 1.00 1.00 H new ATOM 0 HG2 GLN A 9 4.621 7.833 -0.801 1.00 1.00 H new ATOM 0 HG3 GLN A 9 5.843 8.012 -2.044 1.00 1.00 H new ATOM 0 HE21 GLN A 9 4.455 7.280 -3.710 1.00 1.00 H new ATOM 0 HE22 GLN A 9 3.988 5.582 -3.859 1.00 1.00 H new ATOM 120 N PRO A 10 6.324 7.014 2.763 1.00 1.00 N ATOM 121 CA PRO A 10 6.579 6.452 4.097 1.00 1.00 C ATOM 122 C PRO A 10 6.975 4.978 4.047 1.00 1.00 C ATOM 123 O PRO A 10 6.275 4.155 3.458 1.00 1.00 O ATOM 124 CB PRO A 10 5.253 6.631 4.824 1.00 1.00 C ATOM 125 CG PRO A 10 4.207 6.684 3.755 1.00 1.00 C ATOM 126 CD PRO A 10 4.886 7.101 2.470 1.00 1.00 C ATOM 0 HA PRO A 10 7.415 6.948 4.590 1.00 1.00 H new ATOM 0 HB2 PRO A 10 5.069 5.805 5.511 1.00 1.00 H new ATOM 0 HB3 PRO A 10 5.253 7.545 5.417 1.00 1.00 H new ATOM 0 HG2 PRO A 10 3.730 5.711 3.638 1.00 1.00 H new ATOM 0 HG3 PRO A 10 3.423 7.393 4.021 1.00 1.00 H new ATOM 0 HD2 PRO A 10 4.610 6.445 1.645 1.00 1.00 H new ATOM 0 HD3 PRO A 10 4.601 8.113 2.182 1.00 1.00 H new ATOM 134 N CYS A 11 8.103 4.656 4.676 1.00 1.00 N ATOM 135 CA CYS A 11 8.605 3.285 4.718 1.00 1.00 C ATOM 136 C CYS A 11 8.741 2.818 6.163 1.00 1.00 C ATOM 137 O CYS A 11 9.144 3.586 7.037 1.00 1.00 O ATOM 138 CB CYS A 11 9.962 3.209 4.024 1.00 1.00 C ATOM 139 SG CYS A 11 11.250 4.073 4.945 1.00 1.00 S ATOM 0 H CYS A 11 8.690 5.331 5.166 1.00 1.00 H new ATOM 0 HA CYS A 11 7.898 2.636 4.201 1.00 1.00 H new ATOM 0 HB2 CYS A 11 10.246 2.164 3.899 1.00 1.00 H new ATOM 0 HB3 CYS A 11 9.882 3.639 3.026 1.00 1.00 H new ATOM 144 N PRO A 12 8.411 1.545 6.430 1.00 1.00 N ATOM 145 CA PRO A 12 8.501 0.969 7.779 1.00 1.00 C ATOM 146 C PRO A 12 9.938 0.621 8.152 1.00 1.00 C ATOM 147 O PRO A 12 10.440 1.046 9.193 1.00 1.00 O ATOM 148 CB PRO A 12 7.642 -0.287 7.699 1.00 1.00 C ATOM 149 CG PRO A 12 7.632 -0.677 6.255 1.00 1.00 C ATOM 150 CD PRO A 12 7.929 0.566 5.446 1.00 1.00 C ATOM 0 HA PRO A 12 8.166 1.667 8.546 1.00 1.00 H new ATOM 0 HB2 PRO A 12 8.055 -1.084 8.317 1.00 1.00 H new ATOM 0 HB3 PRO A 12 6.632 -0.094 8.060 1.00 1.00 H new ATOM 0 HG2 PRO A 12 8.378 -1.448 6.061 1.00 1.00 H new ATOM 0 HG3 PRO A 12 6.664 -1.093 5.977 1.00 1.00 H new ATOM 0 HD2 PRO A 12 8.681 0.370 4.681 1.00 1.00 H new ATOM 0 HD3 PRO A 12 7.038 0.927 4.932 1.00 1.00 H new ATOM 158 N TYR A 13 10.597 -0.147 7.290 1.00 1.00 N ATOM 159 CA TYR A 13 11.983 -0.547 7.521 1.00 1.00 C ATOM 160 C TYR A 13 12.848 -0.128 6.341 1.00 1.00 C ATOM 161 O TYR A 13 12.344 0.116 5.246 1.00 1.00 O ATOM 162 CB TYR A 13 12.078 -2.059 7.701 1.00 1.00 C ATOM 163 CG TYR A 13 10.829 -2.666 8.285 1.00 1.00 C ATOM 164 CD1 TYR A 13 10.358 -2.242 9.515 1.00 1.00 C ATOM 165 CD2 TYR A 13 10.154 -3.653 7.588 1.00 1.00 C ATOM 166 CE1 TYR A 13 9.211 -2.807 10.047 1.00 1.00 C ATOM 167 CE2 TYR A 13 9.008 -4.216 8.122 1.00 1.00 C ATOM 168 CZ TYR A 13 8.542 -3.790 9.347 1.00 1.00 C ATOM 169 OH TYR A 13 7.403 -4.350 9.876 1.00 1.00 O ATOM 0 H TYR A 13 10.194 -0.506 6.424 1.00 1.00 H new ATOM 0 HA TYR A 13 12.337 -0.056 8.427 1.00 1.00 H new ATOM 0 HB2 TYR A 13 12.282 -2.521 6.735 1.00 1.00 H new ATOM 0 HB3 TYR A 13 12.924 -2.289 8.349 1.00 1.00 H new ATOM 0 HD1 TYR A 13 10.884 -1.472 10.059 1.00 1.00 H new ATOM 0 HD2 TYR A 13 10.521 -3.984 6.628 1.00 1.00 H new ATOM 0 HE1 TYR A 13 8.841 -2.479 11.007 1.00 1.00 H new ATOM 0 HE2 TYR A 13 8.480 -4.987 7.580 1.00 1.00 H new ATOM 0 HH TYR A 13 7.053 -5.025 9.258 1.00 1.00 H new ATOM 179 N ASN A 14 14.156 -0.060 6.567 1.00 1.00 N ATOM 180 CA ASN A 14 15.094 0.314 5.520 1.00 1.00 C ATOM 181 C ASN A 14 15.174 -0.784 4.461 1.00 1.00 C ATOM 182 O ASN A 14 15.830 -0.620 3.431 1.00 1.00 O ATOM 183 CB ASN A 14 16.475 0.556 6.124 1.00 1.00 C ATOM 184 CG ASN A 14 16.369 1.337 7.419 1.00 1.00 C ATOM 185 OD1 ASN A 14 15.276 1.614 7.913 1.00 1.00 O ATOM 186 ND2 ASN A 14 17.518 1.693 7.971 1.00 1.00 N ATOM 0 H ASN A 14 14.589 -0.260 7.469 1.00 1.00 H new ATOM 0 HA ASN A 14 14.744 1.231 5.046 1.00 1.00 H new ATOM 0 HB2 ASN A 14 16.968 -0.398 6.309 1.00 1.00 H new ATOM 0 HB3 ASN A 14 17.096 1.103 5.415 1.00 1.00 H new ATOM 0 HD21 ASN A 14 17.523 2.220 8.844 1.00 1.00 H new ATOM 0 HD22 ASN A 14 18.399 1.440 7.523 1.00 1.00 H new ATOM 193 N GLU A 15 14.508 -1.909 4.724 1.00 1.00 N ATOM 194 CA GLU A 15 14.505 -3.042 3.803 1.00 1.00 C ATOM 195 C GLU A 15 13.290 -2.993 2.884 1.00 1.00 C ATOM 196 O GLU A 15 13.224 -3.717 1.891 1.00 1.00 O ATOM 197 CB GLU A 15 14.493 -4.346 4.598 1.00 1.00 C ATOM 198 CG GLU A 15 15.430 -5.380 3.983 1.00 1.00 C ATOM 199 CD GLU A 15 16.441 -5.856 5.019 1.00 1.00 C ATOM 200 OE1 GLU A 15 17.035 -4.999 5.708 1.00 1.00 O ATOM 201 OE2 GLU A 15 16.637 -7.083 5.140 1.00 1.00 O ATOM 0 H GLU A 15 13.962 -2.058 5.572 1.00 1.00 H new ATOM 0 HA GLU A 15 15.404 -2.991 3.189 1.00 1.00 H new ATOM 0 HB2 GLU A 15 14.791 -4.149 5.628 1.00 1.00 H new ATOM 0 HB3 GLU A 15 13.479 -4.745 4.631 1.00 1.00 H new ATOM 0 HG2 GLU A 15 14.854 -6.227 3.610 1.00 1.00 H new ATOM 0 HG3 GLU A 15 15.950 -4.947 3.128 1.00 1.00 H new ATOM 208 N ASN A 16 12.325 -2.146 3.223 1.00 1.00 N ATOM 209 CA ASN A 16 11.109 -2.017 2.426 1.00 1.00 C ATOM 210 C ASN A 16 11.154 -0.761 1.566 1.00 1.00 C ATOM 211 O ASN A 16 10.140 -0.349 1.002 1.00 1.00 O ATOM 212 CB ASN A 16 9.887 -1.975 3.340 1.00 1.00 C ATOM 213 CG ASN A 16 8.677 -2.571 2.630 1.00 1.00 C ATOM 214 OD1 ASN A 16 8.812 -3.457 1.787 1.00 1.00 O ATOM 215 ND2 ASN A 16 7.489 -2.082 2.972 1.00 1.00 N ATOM 0 H ASN A 16 12.360 -1.539 4.042 1.00 1.00 H new ATOM 0 HA ASN A 16 11.039 -2.883 1.768 1.00 1.00 H new ATOM 0 HB2 ASN A 16 10.090 -2.530 4.256 1.00 1.00 H new ATOM 0 HB3 ASN A 16 9.677 -0.946 3.631 1.00 1.00 H new ATOM 0 HD21 ASN A 16 6.643 -2.442 2.530 1.00 1.00 H new ATOM 0 HD22 ASN A 16 7.424 -1.347 3.676 1.00 1.00 H new ATOM 222 N CYS A 17 12.332 -0.154 1.466 1.00 1.00 N ATOM 223 CA CYS A 17 12.498 1.057 0.667 1.00 1.00 C ATOM 224 C CYS A 17 12.963 0.708 -0.739 1.00 1.00 C ATOM 225 O CYS A 17 13.701 -0.258 -0.937 1.00 1.00 O ATOM 226 CB CYS A 17 13.509 1.989 1.328 1.00 1.00 C ATOM 227 SG CYS A 17 12.752 3.524 1.883 1.00 1.00 S ATOM 0 H CYS A 17 13.183 -0.478 1.926 1.00 1.00 H new ATOM 0 HA CYS A 17 11.534 1.562 0.604 1.00 1.00 H new ATOM 0 HB2 CYS A 17 13.966 1.483 2.178 1.00 1.00 H new ATOM 0 HB3 CYS A 17 14.309 2.214 0.623 1.00 1.00 H new ATOM 232 N CYS A 18 12.539 1.505 -1.715 1.00 1.00 N ATOM 233 CA CYS A 18 12.926 1.282 -3.099 1.00 1.00 C ATOM 234 C CYS A 18 14.438 1.371 -3.217 1.00 1.00 C ATOM 235 O CYS A 18 15.067 0.605 -3.946 1.00 1.00 O ATOM 236 CB CYS A 18 12.264 2.325 -3.993 1.00 1.00 C ATOM 237 SG CYS A 18 10.501 2.024 -4.211 1.00 1.00 S ATOM 0 H CYS A 18 11.928 2.309 -1.571 1.00 1.00 H new ATOM 0 HA CYS A 18 12.600 0.292 -3.417 1.00 1.00 H new ATOM 0 HB2 CYS A 18 12.410 3.315 -3.561 1.00 1.00 H new ATOM 0 HB3 CYS A 18 12.753 2.327 -4.967 1.00 1.00 H new ATOM 242 N SER A 19 15.013 2.310 -2.476 1.00 1.00 N ATOM 243 CA SER A 19 16.452 2.513 -2.463 1.00 1.00 C ATOM 244 C SER A 19 17.084 1.735 -1.314 1.00 1.00 C ATOM 245 O SER A 19 18.307 1.681 -1.186 1.00 1.00 O ATOM 246 CB SER A 19 16.765 3.997 -2.309 1.00 1.00 C ATOM 247 OG SER A 19 16.867 4.335 -0.932 1.00 1.00 O ATOM 0 H SER A 19 14.496 2.948 -1.871 1.00 1.00 H new ATOM 0 HA SER A 19 16.865 2.152 -3.405 1.00 1.00 H new ATOM 0 HB2 SER A 19 17.698 4.235 -2.820 1.00 1.00 H new ATOM 0 HB3 SER A 19 15.983 4.592 -2.781 1.00 1.00 H new ATOM 0 HG SER A 19 16.750 5.302 -0.823 1.00 1.00 H new ATOM 253 N GLN A 20 16.242 1.137 -0.474 1.00 1.00 N ATOM 254 CA GLN A 20 16.713 0.366 0.670 1.00 1.00 C ATOM 255 C GLN A 20 17.165 1.296 1.792 1.00 1.00 C ATOM 256 O GLN A 20 17.669 0.841 2.818 1.00 1.00 O ATOM 257 CB GLN A 20 17.862 -0.543 0.254 1.00 1.00 C ATOM 258 CG GLN A 20 17.580 -1.996 0.630 1.00 1.00 C ATOM 259 CD GLN A 20 16.249 -2.446 0.043 1.00 1.00 C ATOM 260 OE1 GLN A 20 15.187 -2.166 0.598 1.00 1.00 O ATOM 261 NE2 GLN A 20 16.304 -3.147 -1.083 1.00 1.00 N ATOM 0 H GLN A 20 15.227 1.173 -0.566 1.00 1.00 H new ATOM 0 HA GLN A 20 15.889 -0.247 1.035 1.00 1.00 H new ATOM 0 HB2 GLN A 20 18.018 -0.467 -0.822 1.00 1.00 H new ATOM 0 HB3 GLN A 20 18.783 -0.212 0.734 1.00 1.00 H new ATOM 0 HG2 GLN A 20 18.382 -2.636 0.262 1.00 1.00 H new ATOM 0 HG3 GLN A 20 17.561 -2.101 1.715 1.00 1.00 H new ATOM 0 HE21 GLN A 20 17.206 -3.357 -1.510 1.00 1.00 H new ATOM 0 HE22 GLN A 20 15.444 -3.476 -1.522 1.00 1.00 H new ATOM 270 N SER A 21 16.984 2.600 1.593 1.00 1.00 N ATOM 271 CA SER A 21 17.377 3.586 2.593 1.00 1.00 C ATOM 272 C SER A 21 16.150 4.257 3.200 1.00 1.00 C ATOM 273 O SER A 21 15.391 4.928 2.502 1.00 1.00 O ATOM 274 CB SER A 21 18.278 4.636 1.955 1.00 1.00 C ATOM 275 OG SER A 21 19.638 4.227 2.020 1.00 1.00 O ATOM 0 H SER A 21 16.569 2.996 0.750 1.00 1.00 H new ATOM 0 HA SER A 21 17.921 3.076 3.388 1.00 1.00 H new ATOM 0 HB2 SER A 21 17.987 4.791 0.916 1.00 1.00 H new ATOM 0 HB3 SER A 21 18.154 5.590 2.467 1.00 1.00 H new ATOM 0 HG SER A 21 20.205 4.910 1.605 1.00 1.00 H new ATOM 281 N CYS A 22 15.965 4.076 4.505 1.00 1.00 N ATOM 282 CA CYS A 22 14.836 4.669 5.213 1.00 1.00 C ATOM 283 C CYS A 22 15.336 5.725 6.194 1.00 1.00 C ATOM 284 O CYS A 22 16.391 5.563 6.807 1.00 1.00 O ATOM 285 CB CYS A 22 14.064 3.587 5.961 1.00 1.00 C ATOM 286 SG CYS A 22 12.813 2.793 4.935 1.00 1.00 S ATOM 0 H CYS A 22 16.585 3.521 5.095 1.00 1.00 H new ATOM 0 HA CYS A 22 14.171 5.142 4.490 1.00 1.00 H new ATOM 0 HB2 CYS A 22 14.762 2.833 6.325 1.00 1.00 H new ATOM 0 HB3 CYS A 22 13.585 4.027 6.836 1.00 1.00 H new ATOM 291 N THR A 23 14.580 6.808 6.333 1.00 1.00 N ATOM 292 CA THR A 23 14.954 7.895 7.234 1.00 1.00 C ATOM 293 C THR A 23 13.738 8.371 8.023 1.00 1.00 C ATOM 294 O THR A 23 12.631 7.881 7.819 1.00 1.00 O ATOM 295 CB THR A 23 15.541 9.049 6.421 1.00 1.00 C ATOM 296 OG1 THR A 23 15.539 10.243 7.187 1.00 1.00 O ATOM 297 CG2 THR A 23 14.753 9.256 5.130 1.00 1.00 C ATOM 0 H THR A 23 13.703 6.958 5.833 1.00 1.00 H new ATOM 0 HA THR A 23 15.702 7.534 7.940 1.00 1.00 H new ATOM 0 HB THR A 23 16.569 8.795 6.163 1.00 1.00 H new ATOM 0 HG1 THR A 23 14.703 10.731 7.031 1.00 1.00 H new ATOM 0 HG21 THR A 23 15.188 10.082 4.567 1.00 1.00 H new ATOM 0 HG22 THR A 23 14.793 8.347 4.530 1.00 1.00 H new ATOM 0 HG23 THR A 23 13.715 9.487 5.370 1.00 1.00 H new ATOM 305 N PHE A 24 13.950 9.322 8.927 1.00 1.00 N ATOM 306 CA PHE A 24 12.866 9.861 9.743 1.00 1.00 C ATOM 307 C PHE A 24 12.683 11.348 9.456 1.00 1.00 C ATOM 308 O PHE A 24 13.600 12.145 9.658 1.00 1.00 O ATOM 309 CB PHE A 24 13.177 9.657 11.221 1.00 1.00 C ATOM 310 CG PHE A 24 12.256 8.670 11.894 1.00 1.00 C ATOM 311 CD1 PHE A 24 10.943 9.019 12.161 1.00 1.00 C ATOM 312 CD2 PHE A 24 12.725 7.417 12.251 1.00 1.00 C ATOM 313 CE1 PHE A 24 10.099 8.116 12.785 1.00 1.00 C ATOM 314 CE2 PHE A 24 11.881 6.513 12.875 1.00 1.00 C ATOM 315 CZ PHE A 24 10.568 6.862 13.141 1.00 1.00 C ATOM 0 H PHE A 24 14.863 9.736 9.114 1.00 1.00 H new ATOM 0 HA PHE A 24 11.944 9.335 9.495 1.00 1.00 H new ATOM 0 HB2 PHE A 24 14.206 9.312 11.324 1.00 1.00 H new ATOM 0 HB3 PHE A 24 13.109 10.616 11.735 1.00 1.00 H new ATOM 0 HD1 PHE A 24 10.577 9.996 11.882 1.00 1.00 H new ATOM 0 HD2 PHE A 24 13.749 7.144 12.043 1.00 1.00 H new ATOM 0 HE1 PHE A 24 9.075 8.389 12.994 1.00 1.00 H new ATOM 0 HE2 PHE A 24 12.247 5.536 13.154 1.00 1.00 H new ATOM 0 HZ PHE A 24 9.909 6.157 13.626 1.00 1.00 H new ATOM 325 N LYS A 25 11.495 11.719 8.988 1.00 1.00 N ATOM 326 CA LYS A 25 11.193 13.113 8.679 1.00 1.00 C ATOM 327 C LYS A 25 10.016 13.591 9.517 1.00 1.00 C ATOM 328 O LYS A 25 9.160 12.797 9.906 1.00 1.00 O ATOM 329 CB LYS A 25 10.876 13.263 7.195 1.00 1.00 C ATOM 330 CG LYS A 25 11.503 14.530 6.621 1.00 1.00 C ATOM 331 CD LYS A 25 10.615 15.746 6.867 1.00 1.00 C ATOM 332 CE LYS A 25 11.406 16.891 7.492 1.00 1.00 C ATOM 333 NZ LYS A 25 12.320 17.524 6.499 1.00 1.00 N ATOM 0 H LYS A 25 10.725 11.073 8.814 1.00 1.00 H new ATOM 0 HA LYS A 25 12.064 13.724 8.916 1.00 1.00 H new ATOM 0 HB2 LYS A 25 11.246 12.393 6.652 1.00 1.00 H new ATOM 0 HB3 LYS A 25 9.796 13.292 7.053 1.00 1.00 H new ATOM 0 HG2 LYS A 25 12.481 14.693 7.075 1.00 1.00 H new ATOM 0 HG3 LYS A 25 11.665 14.406 5.550 1.00 1.00 H new ATOM 0 HD2 LYS A 25 10.176 16.075 5.925 1.00 1.00 H new ATOM 0 HD3 LYS A 25 9.790 15.470 7.524 1.00 1.00 H new ATOM 0 HE2 LYS A 25 10.718 17.639 7.884 1.00 1.00 H new ATOM 0 HE3 LYS A 25 11.986 16.517 8.336 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 12.844 18.299 6.954 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 12.992 16.814 6.143 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 11.763 17.902 5.706 1.00 1.00 H new ATOM 347 N GLU A 26 9.978 14.888 9.801 1.00 1.00 N ATOM 348 CA GLU A 26 8.907 15.462 10.603 1.00 1.00 C ATOM 349 C GLU A 26 7.749 15.910 9.721 1.00 1.00 C ATOM 350 O GLU A 26 7.954 16.472 8.645 1.00 1.00 O ATOM 351 CB GLU A 26 9.434 16.646 11.406 1.00 1.00 C ATOM 352 CG GLU A 26 8.438 17.068 12.483 1.00 1.00 C ATOM 353 CD GLU A 26 8.907 18.347 13.164 1.00 1.00 C ATOM 354 OE1 GLU A 26 9.061 19.371 12.467 1.00 1.00 O ATOM 355 OE2 GLU A 26 9.118 18.322 14.395 1.00 1.00 O ATOM 0 H GLU A 26 10.677 15.561 9.487 1.00 1.00 H new ATOM 0 HA GLU A 26 8.543 14.695 11.287 1.00 1.00 H new ATOM 0 HB2 GLU A 26 10.384 16.381 11.869 1.00 1.00 H new ATOM 0 HB3 GLU A 26 9.628 17.485 10.738 1.00 1.00 H new ATOM 0 HG2 GLU A 26 7.455 17.224 12.038 1.00 1.00 H new ATOM 0 HG3 GLU A 26 8.331 16.273 13.221 1.00 1.00 H new ATOM 362 N ASN A 27 6.532 15.662 10.190 1.00 1.00 N ATOM 363 CA ASN A 27 5.328 16.039 9.458 1.00 1.00 C ATOM 364 C ASN A 27 4.837 17.400 9.928 1.00 1.00 C ATOM 365 O ASN A 27 5.501 18.075 10.714 1.00 1.00 O ATOM 366 CB ASN A 27 4.220 15.003 9.664 1.00 1.00 C ATOM 367 CG ASN A 27 4.743 13.765 10.387 1.00 1.00 C ATOM 368 OD1 ASN A 27 5.786 13.219 10.029 1.00 1.00 O ATOM 369 ND2 ASN A 27 4.016 13.327 11.407 1.00 1.00 N ATOM 0 H ASN A 27 6.352 15.198 11.080 1.00 1.00 H new ATOM 0 HA ASN A 27 5.576 16.085 8.398 1.00 1.00 H new ATOM 0 HB2 ASN A 27 3.408 15.446 10.240 1.00 1.00 H new ATOM 0 HB3 ASN A 27 3.806 14.714 8.698 1.00 1.00 H new ATOM 0 HD21 ASN A 27 4.315 12.505 11.931 1.00 1.00 H new ATOM 0 HD22 ASN A 27 3.158 13.813 11.667 1.00 1.00 H new ATOM 376 N GLU A 28 3.663 17.793 9.447 1.00 1.00 N ATOM 377 CA GLU A 28 3.069 19.066 9.820 1.00 1.00 C ATOM 378 C GLU A 28 2.182 18.892 11.045 1.00 1.00 C ATOM 379 O GLU A 28 1.828 19.865 11.712 1.00 1.00 O ATOM 380 CB GLU A 28 2.252 19.625 8.659 1.00 1.00 C ATOM 381 CG GLU A 28 2.086 21.138 8.779 1.00 1.00 C ATOM 382 CD GLU A 28 0.726 21.473 9.380 1.00 1.00 C ATOM 383 OE1 GLU A 28 -0.280 20.871 8.949 1.00 1.00 O ATOM 384 OE2 GLU A 28 0.670 22.335 10.282 1.00 1.00 O ATOM 0 H GLU A 28 3.103 17.243 8.795 1.00 1.00 H new ATOM 0 HA GLU A 28 3.868 19.768 10.060 1.00 1.00 H new ATOM 0 HB2 GLU A 28 2.743 19.384 7.716 1.00 1.00 H new ATOM 0 HB3 GLU A 28 1.271 19.149 8.639 1.00 1.00 H new ATOM 0 HG2 GLU A 28 2.879 21.550 9.403 1.00 1.00 H new ATOM 0 HG3 GLU A 28 2.181 21.601 7.797 1.00 1.00 H new ATOM 391 N ASN A 29 1.827 17.645 11.339 1.00 1.00 N ATOM 392 CA ASN A 29 0.981 17.337 12.486 1.00 1.00 C ATOM 393 C ASN A 29 1.752 17.551 13.782 1.00 1.00 C ATOM 394 O ASN A 29 1.168 17.587 14.864 1.00 1.00 O ATOM 395 CB ASN A 29 0.496 15.894 12.401 1.00 1.00 C ATOM 396 CG ASN A 29 -0.819 15.735 13.154 1.00 1.00 C ATOM 397 OD1 ASN A 29 -1.696 16.595 13.081 1.00 1.00 O ATOM 398 ND2 ASN A 29 -0.956 14.631 13.879 1.00 1.00 N ATOM 0 H ASN A 29 2.113 16.830 10.797 1.00 1.00 H new ATOM 0 HA ASN A 29 0.119 18.004 12.476 1.00 1.00 H new ATOM 0 HB2 ASN A 29 0.363 15.608 11.358 1.00 1.00 H new ATOM 0 HB3 ASN A 29 1.247 15.225 12.821 1.00 1.00 H new ATOM 0 HD21 ASN A 29 -1.815 14.469 14.405 1.00 1.00 H new ATOM 0 HD22 ASN A 29 -0.202 13.945 13.910 1.00 1.00 H new ATOM 405 N GLY A 30 3.069 17.692 13.665 1.00 1.00 N ATOM 406 CA GLY A 30 3.922 17.904 14.824 1.00 1.00 C ATOM 407 C GLY A 30 4.529 16.590 15.293 1.00 1.00 C ATOM 408 O GLY A 30 5.047 16.495 16.406 1.00 1.00 O ATOM 0 H GLY A 30 3.567 17.663 12.776 1.00 1.00 H new ATOM 0 HA2 GLY A 30 4.716 18.608 14.574 1.00 1.00 H new ATOM 0 HA3 GLY A 30 3.342 18.351 15.631 1.00 1.00 H new ATOM 412 N ASN A 31 4.465 15.577 14.436 1.00 1.00 N ATOM 413 CA ASN A 31 5.010 14.265 14.755 1.00 1.00 C ATOM 414 C ASN A 31 6.181 13.952 13.835 1.00 1.00 C ATOM 415 O ASN A 31 6.611 14.803 13.059 1.00 1.00 O ATOM 416 CB ASN A 31 3.926 13.205 14.594 1.00 1.00 C ATOM 417 CG ASN A 31 3.179 13.008 15.905 1.00 1.00 C ATOM 418 OD1 ASN A 31 3.220 13.863 16.790 1.00 1.00 O ATOM 419 ND2 ASN A 31 2.490 11.879 16.031 1.00 1.00 N ATOM 0 H ASN A 31 4.039 15.641 13.511 1.00 1.00 H new ATOM 0 HA ASN A 31 5.361 14.265 15.787 1.00 1.00 H new ATOM 0 HB2 ASN A 31 3.228 13.505 13.812 1.00 1.00 H new ATOM 0 HB3 ASN A 31 4.374 12.263 14.278 1.00 1.00 H new ATOM 0 HD21 ASN A 31 1.967 11.693 16.887 1.00 1.00 H new ATOM 0 HD22 ASN A 31 2.484 11.198 15.272 1.00 1.00 H new ATOM 426 N THR A 32 6.691 12.728 13.916 1.00 1.00 N ATOM 427 CA THR A 32 7.808 12.315 13.074 1.00 1.00 C ATOM 428 C THR A 32 7.614 10.877 12.608 1.00 1.00 C ATOM 429 O THR A 32 7.446 9.968 13.421 1.00 1.00 O ATOM 430 CB THR A 32 9.131 12.466 13.832 1.00 1.00 C ATOM 431 OG1 THR A 32 10.178 12.753 12.919 1.00 1.00 O ATOM 432 CG2 THR A 32 9.470 11.206 14.628 1.00 1.00 C ATOM 0 H THR A 32 6.351 12.007 14.553 1.00 1.00 H new ATOM 0 HA THR A 32 7.842 12.959 12.195 1.00 1.00 H new ATOM 0 HB THR A 32 9.021 13.289 14.538 1.00 1.00 H new ATOM 0 HG1 THR A 32 9.855 12.631 12.002 1.00 1.00 H new ATOM 0 HG21 THR A 32 10.415 11.350 15.152 1.00 1.00 H new ATOM 0 HG22 THR A 32 8.679 11.009 15.352 1.00 1.00 H new ATOM 0 HG23 THR A 32 9.558 10.359 13.948 1.00 1.00 H new ATOM 440 N VAL A 33 7.645 10.677 11.296 1.00 1.00 N ATOM 441 CA VAL A 33 7.480 9.350 10.718 1.00 1.00 C ATOM 442 C VAL A 33 8.732 8.974 9.944 1.00 1.00 C ATOM 443 O VAL A 33 9.732 9.685 9.993 1.00 1.00 O ATOM 444 CB VAL A 33 6.265 9.323 9.793 1.00 1.00 C ATOM 445 CG1 VAL A 33 5.658 7.925 9.740 1.00 1.00 C ATOM 446 CG2 VAL A 33 5.219 10.337 10.252 1.00 1.00 C ATOM 0 H VAL A 33 7.783 11.420 10.611 1.00 1.00 H new ATOM 0 HA VAL A 33 7.322 8.629 11.520 1.00 1.00 H new ATOM 0 HB VAL A 33 6.596 9.594 8.790 1.00 1.00 H new ATOM 0 HG11 VAL A 33 4.794 7.928 9.076 1.00 1.00 H new ATOM 0 HG12 VAL A 33 6.400 7.220 9.366 1.00 1.00 H new ATOM 0 HG13 VAL A 33 5.345 7.626 10.740 1.00 1.00 H new ATOM 0 HG21 VAL A 33 4.361 10.303 9.581 1.00 1.00 H new ATOM 0 HG22 VAL A 33 4.897 10.095 11.265 1.00 1.00 H new ATOM 0 HG23 VAL A 33 5.651 11.337 10.238 1.00 1.00 H new ATOM 456 N LYS A 34 8.679 7.860 9.231 1.00 1.00 N ATOM 457 CA LYS A 34 9.818 7.407 8.449 1.00 1.00 C ATOM 458 C LYS A 34 9.468 7.398 6.967 1.00 1.00 C ATOM 459 O LYS A 34 8.453 6.833 6.566 1.00 1.00 O ATOM 460 CB LYS A 34 10.225 6.009 8.896 1.00 1.00 C ATOM 461 CG LYS A 34 11.284 6.068 9.991 1.00 1.00 C ATOM 462 CD LYS A 34 11.367 4.747 10.749 1.00 1.00 C ATOM 463 CE LYS A 34 12.813 4.390 11.084 1.00 1.00 C ATOM 464 NZ LYS A 34 13.472 3.687 9.946 1.00 1.00 N ATOM 0 H LYS A 34 7.860 7.254 9.178 1.00 1.00 H new ATOM 0 HA LYS A 34 10.652 8.091 8.608 1.00 1.00 H new ATOM 0 HB2 LYS A 34 9.350 5.472 9.261 1.00 1.00 H new ATOM 0 HB3 LYS A 34 10.610 5.449 8.044 1.00 1.00 H new ATOM 0 HG2 LYS A 34 12.254 6.299 9.551 1.00 1.00 H new ATOM 0 HG3 LYS A 34 11.049 6.875 10.685 1.00 1.00 H new ATOM 0 HD2 LYS A 34 10.785 4.815 11.668 1.00 1.00 H new ATOM 0 HD3 LYS A 34 10.924 3.952 10.149 1.00 1.00 H new ATOM 0 HE2 LYS A 34 13.368 5.297 11.325 1.00 1.00 H new ATOM 0 HE3 LYS A 34 12.838 3.756 11.970 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 14.453 3.457 10.202 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 12.955 2.810 9.733 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 13.468 4.303 9.108 1.00 1.00 H new ATOM 478 N ARG A 35 10.315 8.027 6.159 1.00 1.00 N ATOM 479 CA ARG A 35 10.100 8.088 4.718 1.00 1.00 C ATOM 480 C ARG A 35 11.227 7.362 3.995 1.00 1.00 C ATOM 481 O ARG A 35 12.038 6.679 4.621 1.00 1.00 O ATOM 482 CB ARG A 35 10.033 9.544 4.265 1.00 1.00 C ATOM 483 CG ARG A 35 8.707 10.184 4.668 1.00 1.00 C ATOM 484 CD ARG A 35 8.860 11.687 4.885 1.00 1.00 C ATOM 485 NE ARG A 35 7.689 12.219 5.574 1.00 1.00 N ATOM 486 CZ ARG A 35 7.543 13.520 5.805 1.00 1.00 C ATOM 487 NH1 ARG A 35 8.462 14.377 5.379 1.00 1.00 N ATOM 488 NH2 ARG A 35 6.480 13.966 6.460 1.00 1.00 N ATOM 0 H ARG A 35 11.159 8.503 6.479 1.00 1.00 H new ATOM 0 HA ARG A 35 9.156 7.601 4.475 1.00 1.00 H new ATOM 0 HB2 ARG A 35 10.859 10.103 4.705 1.00 1.00 H new ATOM 0 HB3 ARG A 35 10.152 9.597 3.183 1.00 1.00 H new ATOM 0 HG2 ARG A 35 7.962 10.000 3.894 1.00 1.00 H new ATOM 0 HG3 ARG A 35 8.339 9.718 5.582 1.00 1.00 H new ATOM 0 HD2 ARG A 35 9.757 11.888 5.470 1.00 1.00 H new ATOM 0 HD3 ARG A 35 8.986 12.189 3.926 1.00 1.00 H new ATOM 0 HE ARG A 35 6.963 11.575 5.887 1.00 1.00 H new ATOM 0 HH11 ARG A 35 9.281 14.038 4.874 1.00 1.00 H new ATOM 0 HH12 ARG A 35 8.350 15.375 5.556 1.00 1.00 H new ATOM 0 HH21 ARG A 35 5.771 13.310 6.788 1.00 1.00 H new ATOM 0 HH22 ARG A 35 6.371 14.965 6.636 1.00 1.00 H new ATOM 502 N CYS A 36 11.273 7.502 2.676 1.00 1.00 N ATOM 503 CA CYS A 36 12.299 6.849 1.874 1.00 1.00 C ATOM 504 C CYS A 36 13.282 7.871 1.318 1.00 1.00 C ATOM 505 O CYS A 36 12.893 8.812 0.626 1.00 1.00 O ATOM 506 CB CYS A 36 11.651 6.075 0.732 1.00 1.00 C ATOM 507 SG CYS A 36 12.645 4.664 0.221 1.00 1.00 S ATOM 0 H CYS A 36 10.611 8.062 2.139 1.00 1.00 H new ATOM 0 HA CYS A 36 12.847 6.156 2.513 1.00 1.00 H new ATOM 0 HB2 CYS A 36 10.665 5.730 1.042 1.00 1.00 H new ATOM 0 HB3 CYS A 36 11.503 6.741 -0.118 1.00 1.00 H new ATOM 512 N ASP A 37 14.559 7.675 1.625 1.00 1.00 N ATOM 513 CA ASP A 37 15.611 8.570 1.161 1.00 1.00 C ATOM 514 C ASP A 37 15.394 8.930 -0.303 1.00 1.00 C ATOM 515 O ASP A 37 15.382 10.137 -0.623 1.00 0.00 O ATOM 516 CB ASP A 37 16.969 7.899 1.340 1.00 1.00 C ATOM 517 CG ASP A 37 17.543 8.230 2.710 1.00 1.00 C ATOM 518 OD1 ASP A 37 17.073 7.647 3.709 1.00 1.00 O ATOM 519 OD2 ASP A 37 18.463 9.072 2.783 1.00 1.00 O ATOM 520 OXT ASP A 37 15.236 8.006 -1.127 1.00 0.00 O ATOM 0 H ASP A 37 14.892 6.899 2.197 1.00 1.00 H new ATOM 0 HA ASP A 37 15.582 9.487 1.750 1.00 1.00 H new ATOM 0 HB2 ASP A 37 16.866 6.819 1.232 1.00 1.00 H new ATOM 0 HB3 ASP A 37 17.654 8.233 0.560 1.00 1.00 H new TER 525 ASP A 37