USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=11 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 Set 1.1: A 14 ASN : amide:sc= -3.84! C(o=-3.9!,f=-11!) USER MOD Set 1.2: A 34 LYS NZ :NH3+ -152:sc= -0.0852 (180deg=-0.52) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.193 USER MOD Single : A 7 SER OG : rot 30:sc= 0.146 USER MOD Single : A 9 GLN :FLIP amide:sc= -2.29 F(o=-2.8!,f=-2.3) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.613 K(o=-0.61,f=-2!) USER MOD Single : A 19 SER OG : rot 175:sc= -0.815 USER MOD Single : A 20 GLN : amide:sc= -0.0332 K(o=-0.033,f=-0.91) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.836! USER MOD Single : A 25 LYS NZ :NH3+ -148:sc=-0.00231 (180deg=-0.0274) USER MOD Single : A 27 ASN : amide:sc= -3.05! C(o=-3!,f=-6.5!) USER MOD Single : A 29 ASN : amide:sc= -0.193 X(o=-0.19,f=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -6:sc= 0.507 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.323 1.389 -8.505 1.00 1.00 N ATOM 2 CA SER A 1 2.547 0.545 -8.598 1.00 1.00 C ATOM 3 C SER A 1 2.853 -0.086 -7.247 1.00 1.00 C ATOM 4 O SER A 1 3.470 0.538 -6.385 1.00 1.00 O ATOM 5 CB SER A 1 3.744 1.371 -9.058 1.00 1.00 C ATOM 6 OG SER A 1 4.951 0.655 -8.841 1.00 1.00 O ATOM 0 H1 SER A 1 1.124 1.815 -9.433 1.00 1.00 H new ATOM 0 H2 SER A 1 0.517 0.800 -8.214 1.00 1.00 H new ATOM 0 H3 SER A 1 1.473 2.142 -7.804 1.00 1.00 H new ATOM 0 HA SER A 1 2.361 -0.240 -9.332 1.00 1.00 H new ATOM 0 HB2 SER A 1 3.642 1.613 -10.116 1.00 1.00 H new ATOM 0 HB3 SER A 1 3.772 2.316 -8.516 1.00 1.00 H new ATOM 0 HG SER A 1 5.711 1.196 -9.142 1.00 1.00 H new ATOM 14 N PRO A 2 2.416 -1.339 -7.049 1.00 1.00 N ATOM 15 CA PRO A 2 2.637 -2.069 -5.795 1.00 1.00 C ATOM 16 C PRO A 2 4.042 -2.657 -5.711 1.00 1.00 C ATOM 17 O PRO A 2 4.220 -3.874 -5.751 1.00 1.00 O ATOM 18 CB PRO A 2 1.591 -3.174 -5.829 1.00 1.00 C ATOM 19 CG PRO A 2 1.283 -3.398 -7.276 1.00 1.00 C ATOM 20 CD PRO A 2 1.669 -2.142 -8.026 1.00 1.00 C ATOM 0 HA PRO A 2 2.549 -1.419 -4.925 1.00 1.00 H new ATOM 0 HB2 PRO A 2 1.969 -4.085 -5.364 1.00 1.00 H new ATOM 0 HB3 PRO A 2 0.696 -2.883 -5.279 1.00 1.00 H new ATOM 0 HG2 PRO A 2 1.836 -4.257 -7.657 1.00 1.00 H new ATOM 0 HG3 PRO A 2 0.224 -3.615 -7.413 1.00 1.00 H new ATOM 0 HD2 PRO A 2 2.280 -2.374 -8.898 1.00 1.00 H new ATOM 0 HD3 PRO A 2 0.789 -1.609 -8.386 1.00 1.00 H new ATOM 28 N THR A 3 5.035 -1.784 -5.590 1.00 1.00 N ATOM 29 CA THR A 3 6.427 -2.207 -5.495 1.00 1.00 C ATOM 30 C THR A 3 7.071 -1.592 -4.258 1.00 1.00 C ATOM 31 O THR A 3 6.380 -1.231 -3.305 1.00 1.00 O ATOM 32 CB THR A 3 7.184 -1.786 -6.754 1.00 1.00 C ATOM 33 OG1 THR A 3 8.354 -2.576 -6.906 1.00 1.00 O ATOM 34 CG2 THR A 3 7.552 -0.305 -6.699 1.00 1.00 C ATOM 0 H THR A 3 4.901 -0.773 -5.555 1.00 1.00 H new ATOM 0 HA THR A 3 6.468 -3.293 -5.408 1.00 1.00 H new ATOM 0 HB THR A 3 6.533 -1.944 -7.614 1.00 1.00 H new ATOM 0 HG1 THR A 3 8.832 -2.300 -7.716 1.00 1.00 H new ATOM 0 HG21 THR A 3 8.090 -0.030 -7.606 1.00 1.00 H new ATOM 0 HG22 THR A 3 6.644 0.293 -6.620 1.00 1.00 H new ATOM 0 HG23 THR A 3 8.185 -0.119 -5.831 1.00 1.00 H new ATOM 42 N CYS A 4 8.394 -1.467 -4.274 1.00 1.00 N ATOM 43 CA CYS A 4 9.115 -0.887 -3.151 1.00 1.00 C ATOM 44 C CYS A 4 8.648 0.542 -2.912 1.00 1.00 C ATOM 45 O CYS A 4 8.070 1.171 -3.798 1.00 1.00 O ATOM 46 CB CYS A 4 10.615 -0.912 -3.430 1.00 1.00 C ATOM 47 SG CYS A 4 11.049 -0.021 -4.934 1.00 1.00 S ATOM 0 H CYS A 4 8.986 -1.759 -5.051 1.00 1.00 H new ATOM 0 HA CYS A 4 8.912 -1.475 -2.256 1.00 1.00 H new ATOM 0 HB2 CYS A 4 11.146 -0.474 -2.585 1.00 1.00 H new ATOM 0 HB3 CYS A 4 10.949 -1.946 -3.515 1.00 1.00 H new ATOM 52 N ILE A 5 8.901 1.051 -1.712 1.00 1.00 N ATOM 53 CA ILE A 5 8.504 2.409 -1.357 1.00 1.00 C ATOM 54 C ILE A 5 9.492 3.409 -1.934 1.00 1.00 C ATOM 55 O ILE A 5 10.661 3.420 -1.566 1.00 1.00 O ATOM 56 CB ILE A 5 8.449 2.549 0.155 1.00 1.00 C ATOM 57 CG1 ILE A 5 7.561 1.457 0.746 1.00 1.00 C ATOM 58 CG2 ILE A 5 7.939 3.931 0.549 1.00 1.00 C ATOM 59 CD1 ILE A 5 7.329 1.674 2.235 1.00 1.00 C ATOM 0 H ILE A 5 9.380 0.544 -0.968 1.00 1.00 H new ATOM 0 HA ILE A 5 7.516 2.610 -1.772 1.00 1.00 H new ATOM 0 HB ILE A 5 9.457 2.436 0.555 1.00 1.00 H new ATOM 0 HG12 ILE A 5 6.603 1.443 0.225 1.00 1.00 H new ATOM 0 HG13 ILE A 5 8.024 0.483 0.587 1.00 1.00 H new ATOM 0 HG21 ILE A 5 7.907 4.011 1.636 1.00 1.00 H new ATOM 0 HG22 ILE A 5 8.607 4.693 0.149 1.00 1.00 H new ATOM 0 HG23 ILE A 5 6.937 4.078 0.145 1.00 1.00 H new ATOM 0 HD11 ILE A 5 6.693 0.879 2.624 1.00 1.00 H new ATOM 0 HD12 ILE A 5 8.285 1.662 2.758 1.00 1.00 H new ATOM 0 HD13 ILE A 5 6.842 2.637 2.391 1.00 1.00 H new ATOM 71 N PRO A 6 9.033 4.266 -2.848 1.00 1.00 N ATOM 72 CA PRO A 6 9.890 5.273 -3.481 1.00 1.00 C ATOM 73 C PRO A 6 10.195 6.442 -2.557 1.00 1.00 C ATOM 74 O PRO A 6 9.480 6.683 -1.587 1.00 1.00 O ATOM 75 CB PRO A 6 9.094 5.720 -4.698 1.00 1.00 C ATOM 76 CG PRO A 6 7.663 5.430 -4.374 1.00 1.00 C ATOM 77 CD PRO A 6 7.648 4.332 -3.334 1.00 1.00 C ATOM 0 HA PRO A 6 10.868 4.868 -3.739 1.00 1.00 H new ATOM 0 HB2 PRO A 6 9.243 6.782 -4.895 1.00 1.00 H new ATOM 0 HB3 PRO A 6 9.410 5.182 -5.592 1.00 1.00 H new ATOM 0 HG2 PRO A 6 7.166 6.324 -3.996 1.00 1.00 H new ATOM 0 HG3 PRO A 6 7.122 5.119 -5.268 1.00 1.00 H new ATOM 0 HD2 PRO A 6 6.954 4.561 -2.525 1.00 1.00 H new ATOM 0 HD3 PRO A 6 7.333 3.382 -3.765 1.00 1.00 H new ATOM 85 N SER A 7 11.271 7.155 -2.865 1.00 1.00 N ATOM 86 CA SER A 7 11.699 8.303 -2.069 1.00 1.00 C ATOM 87 C SER A 7 10.551 9.285 -1.872 1.00 1.00 C ATOM 88 O SER A 7 9.909 9.708 -2.833 1.00 1.00 O ATOM 89 CB SER A 7 12.865 9.005 -2.755 1.00 1.00 C ATOM 90 OG SER A 7 12.497 9.406 -4.066 1.00 1.00 O ATOM 0 H SER A 7 11.869 6.958 -3.667 1.00 1.00 H new ATOM 0 HA SER A 7 12.017 7.942 -1.091 1.00 1.00 H new ATOM 0 HB2 SER A 7 13.168 9.875 -2.173 1.00 1.00 H new ATOM 0 HB3 SER A 7 13.725 8.337 -2.800 1.00 1.00 H new ATOM 0 HG SER A 7 11.536 9.599 -4.092 1.00 1.00 H new ATOM 96 N GLY A 8 10.305 9.653 -0.617 1.00 1.00 N ATOM 97 CA GLY A 8 9.243 10.598 -0.288 1.00 1.00 C ATOM 98 C GLY A 8 8.052 9.897 0.355 1.00 1.00 C ATOM 99 O GLY A 8 7.251 10.525 1.047 1.00 1.00 O ATOM 0 H GLY A 8 10.828 9.310 0.189 1.00 1.00 H new ATOM 0 HA2 GLY A 8 9.629 11.359 0.391 1.00 1.00 H new ATOM 0 HA3 GLY A 8 8.919 11.112 -1.193 1.00 1.00 H new ATOM 103 N GLN A 9 7.940 8.595 0.123 1.00 1.00 N ATOM 104 CA GLN A 9 6.845 7.808 0.680 1.00 1.00 C ATOM 105 C GLN A 9 7.236 7.252 2.043 1.00 1.00 C ATOM 106 O GLN A 9 8.417 7.120 2.351 1.00 1.00 O ATOM 107 CB GLN A 9 6.489 6.667 -0.268 1.00 1.00 C ATOM 108 CG GLN A 9 5.122 6.891 -0.909 1.00 1.00 C ATOM 109 CD GLN A 9 5.222 6.756 -2.423 1.00 1.00 C ATOM 110 OE1 GLN A 9 5.800 7.759 -3.070 1.00 1.00 O flip ATOM 111 NE2 GLN A 9 4.782 5.759 -2.997 1.00 1.00 N flip ATOM 0 H GLN A 9 8.595 8.060 -0.448 1.00 1.00 H new ATOM 0 HA GLN A 9 5.975 8.453 0.802 1.00 1.00 H new ATOM 0 HB2 GLN A 9 7.249 6.585 -1.045 1.00 1.00 H new ATOM 0 HB3 GLN A 9 6.488 5.724 0.278 1.00 1.00 H new ATOM 0 HG2 GLN A 9 4.406 6.167 -0.519 1.00 1.00 H new ATOM 0 HG3 GLN A 9 4.748 7.881 -0.649 1.00 1.00 H new ATOM 0 HE21 GLN A 9 4.345 5.011 -2.458 1.00 1.00 H new ATOM 0 HE22 GLN A 9 4.855 5.681 -4.011 1.00 1.00 H new ATOM 120 N PRO A 10 6.241 6.930 2.882 1.00 1.00 N ATOM 121 CA PRO A 10 6.479 6.396 4.230 1.00 1.00 C ATOM 122 C PRO A 10 6.853 4.916 4.222 1.00 1.00 C ATOM 123 O PRO A 10 6.114 4.078 3.702 1.00 1.00 O ATOM 124 CB PRO A 10 5.155 6.614 4.946 1.00 1.00 C ATOM 125 CG PRO A 10 4.116 6.664 3.872 1.00 1.00 C ATOM 126 CD PRO A 10 4.807 7.072 2.591 1.00 1.00 C ATOM 0 HA PRO A 10 7.321 6.891 4.713 1.00 1.00 H new ATOM 0 HB2 PRO A 10 4.953 5.806 5.649 1.00 1.00 H new ATOM 0 HB3 PRO A 10 5.169 7.540 5.521 1.00 1.00 H new ATOM 0 HG2 PRO A 10 3.637 5.692 3.756 1.00 1.00 H new ATOM 0 HG3 PRO A 10 3.333 7.377 4.129 1.00 1.00 H new ATOM 0 HD2 PRO A 10 4.507 6.436 1.758 1.00 1.00 H new ATOM 0 HD3 PRO A 10 4.558 8.097 2.315 1.00 1.00 H new ATOM 134 N CYS A 11 8.005 4.605 4.811 1.00 1.00 N ATOM 135 CA CYS A 11 8.493 3.232 4.891 1.00 1.00 C ATOM 136 C CYS A 11 8.683 2.827 6.349 1.00 1.00 C ATOM 137 O CYS A 11 9.171 3.611 7.161 1.00 1.00 O ATOM 138 CB CYS A 11 9.821 3.112 4.149 1.00 1.00 C ATOM 139 SG CYS A 11 11.136 4.054 4.946 1.00 1.00 S ATOM 0 H CYS A 11 8.622 5.293 5.243 1.00 1.00 H new ATOM 0 HA CYS A 11 7.760 2.570 4.430 1.00 1.00 H new ATOM 0 HB2 CYS A 11 10.111 2.063 4.094 1.00 1.00 H new ATOM 0 HB3 CYS A 11 9.695 3.462 3.124 1.00 1.00 H new ATOM 144 N PRO A 12 8.298 1.589 6.698 1.00 1.00 N ATOM 145 CA PRO A 12 8.428 1.076 8.069 1.00 1.00 C ATOM 146 C PRO A 12 9.859 0.654 8.392 1.00 1.00 C ATOM 147 O PRO A 12 10.366 0.928 9.479 1.00 1.00 O ATOM 148 CB PRO A 12 7.489 -0.121 8.101 1.00 1.00 C ATOM 149 CG PRO A 12 7.372 -0.582 6.683 1.00 1.00 C ATOM 150 CD PRO A 12 7.708 0.593 5.793 1.00 1.00 C ATOM 0 HA PRO A 12 8.182 1.834 8.813 1.00 1.00 H new ATOM 0 HB2 PRO A 12 7.884 -0.912 8.738 1.00 1.00 H new ATOM 0 HB3 PRO A 12 6.515 0.156 8.504 1.00 1.00 H new ATOM 0 HG2 PRO A 12 8.051 -1.413 6.493 1.00 1.00 H new ATOM 0 HG3 PRO A 12 6.363 -0.941 6.479 1.00 1.00 H new ATOM 0 HD2 PRO A 12 8.408 0.308 5.008 1.00 1.00 H new ATOM 0 HD3 PRO A 12 6.818 0.984 5.300 1.00 1.00 H new ATOM 158 N TYR A 13 10.506 -0.012 7.440 1.00 1.00 N ATOM 159 CA TYR A 13 11.879 -0.471 7.624 1.00 1.00 C ATOM 160 C TYR A 13 12.730 -0.080 6.424 1.00 1.00 C ATOM 161 O TYR A 13 12.208 0.168 5.338 1.00 1.00 O ATOM 162 CB TYR A 13 11.912 -1.985 7.796 1.00 1.00 C ATOM 163 CG TYR A 13 10.660 -2.535 8.427 1.00 1.00 C ATOM 164 CD1 TYR A 13 10.463 -2.424 9.792 1.00 1.00 C ATOM 165 CD2 TYR A 13 9.705 -3.157 7.640 1.00 1.00 C ATOM 166 CE1 TYR A 13 9.313 -2.933 10.369 1.00 1.00 C ATOM 167 CE2 TYR A 13 8.556 -3.666 8.219 1.00 1.00 C ATOM 168 CZ TYR A 13 8.365 -3.551 9.580 1.00 1.00 C ATOM 169 OH TYR A 13 7.222 -4.058 10.154 1.00 1.00 O ATOM 0 H TYR A 13 10.102 -0.246 6.533 1.00 1.00 H new ATOM 0 HA TYR A 13 12.282 0.001 8.520 1.00 1.00 H new ATOM 0 HB2 TYR A 13 12.056 -2.452 6.822 1.00 1.00 H new ATOM 0 HB3 TYR A 13 12.771 -2.256 8.410 1.00 1.00 H new ATOM 0 HD1 TYR A 13 11.207 -1.940 10.407 1.00 1.00 H new ATOM 0 HD2 TYR A 13 9.857 -3.245 6.574 1.00 1.00 H new ATOM 0 HE1 TYR A 13 9.158 -2.847 11.434 1.00 1.00 H new ATOM 0 HE2 TYR A 13 7.811 -4.152 7.607 1.00 1.00 H new ATOM 0 HH TYR A 13 6.658 -4.459 9.460 1.00 1.00 H new ATOM 179 N ASN A 14 14.044 -0.039 6.624 1.00 1.00 N ATOM 180 CA ASN A 14 14.970 0.310 5.555 1.00 1.00 C ATOM 181 C ASN A 14 14.995 -0.789 4.497 1.00 1.00 C ATOM 182 O ASN A 14 15.608 -0.632 3.442 1.00 1.00 O ATOM 183 CB ASN A 14 16.370 0.511 6.126 1.00 1.00 C ATOM 184 CG ASN A 14 16.316 1.293 7.424 1.00 1.00 C ATOM 185 OD1 ASN A 14 15.244 1.609 7.936 1.00 1.00 O ATOM 186 ND2 ASN A 14 17.487 1.604 7.956 1.00 1.00 N ATOM 0 H ASN A 14 14.490 -0.244 7.518 1.00 1.00 H new ATOM 0 HA ASN A 14 14.636 1.238 5.090 1.00 1.00 H new ATOM 0 HB2 ASN A 14 16.839 -0.457 6.299 1.00 1.00 H new ATOM 0 HB3 ASN A 14 16.990 1.041 5.403 1.00 1.00 H new ATOM 0 HD21 ASN A 14 17.527 2.129 8.830 1.00 1.00 H new ATOM 0 HD22 ASN A 14 18.350 1.319 7.492 1.00 1.00 H new ATOM 193 N GLU A 15 14.332 -1.906 4.790 1.00 1.00 N ATOM 194 CA GLU A 15 14.281 -3.038 3.870 1.00 1.00 C ATOM 195 C GLU A 15 13.106 -2.903 2.909 1.00 1.00 C ATOM 196 O GLU A 15 13.036 -3.602 1.898 1.00 1.00 O ATOM 197 CB GLU A 15 14.152 -4.337 4.661 1.00 1.00 C ATOM 198 CG GLU A 15 15.129 -5.393 4.155 1.00 1.00 C ATOM 199 CD GLU A 15 15.882 -6.016 5.323 1.00 1.00 C ATOM 200 OE1 GLU A 15 16.099 -5.314 6.333 1.00 1.00 O ATOM 201 OE2 GLU A 15 16.254 -7.205 5.225 1.00 1.00 O ATOM 0 H GLU A 15 13.821 -2.050 5.661 1.00 1.00 H new ATOM 0 HA GLU A 15 15.203 -3.053 3.288 1.00 1.00 H new ATOM 0 HB2 GLU A 15 14.338 -4.142 5.717 1.00 1.00 H new ATOM 0 HB3 GLU A 15 13.132 -4.714 4.582 1.00 1.00 H new ATOM 0 HG2 GLU A 15 14.589 -6.166 3.607 1.00 1.00 H new ATOM 0 HG3 GLU A 15 15.834 -4.942 3.457 1.00 1.00 H new ATOM 208 N ASN A 16 12.182 -2.006 3.232 1.00 1.00 N ATOM 209 CA ASN A 16 11.005 -1.788 2.396 1.00 1.00 C ATOM 210 C ASN A 16 11.183 -0.554 1.520 1.00 1.00 C ATOM 211 O ASN A 16 10.235 -0.093 0.885 1.00 1.00 O ATOM 212 CB ASN A 16 9.766 -1.627 3.273 1.00 1.00 C ATOM 213 CG ASN A 16 8.530 -2.129 2.536 1.00 1.00 C ATOM 214 OD1 ASN A 16 8.617 -3.023 1.694 1.00 1.00 O ATOM 215 ND2 ASN A 16 7.377 -1.551 2.851 1.00 1.00 N ATOM 0 H ASN A 16 12.224 -1.418 4.065 1.00 1.00 H new ATOM 0 HA ASN A 16 10.879 -2.655 1.748 1.00 1.00 H new ATOM 0 HB2 ASN A 16 9.895 -2.182 4.202 1.00 1.00 H new ATOM 0 HB3 ASN A 16 9.637 -0.579 3.543 1.00 1.00 H new ATOM 0 HD21 ASN A 16 6.516 -1.844 2.389 1.00 1.00 H new ATOM 0 HD22 ASN A 16 7.352 -0.814 3.555 1.00 1.00 H new ATOM 222 N CYS A 17 12.400 -0.020 1.489 1.00 1.00 N ATOM 223 CA CYS A 17 12.694 1.165 0.687 1.00 1.00 C ATOM 224 C CYS A 17 13.214 0.764 -0.686 1.00 1.00 C ATOM 225 O CYS A 17 13.907 -0.243 -0.830 1.00 1.00 O ATOM 226 CB CYS A 17 13.731 2.033 1.391 1.00 1.00 C ATOM 227 SG CYS A 17 13.062 3.628 1.898 1.00 1.00 S ATOM 0 H CYS A 17 13.197 -0.387 2.008 1.00 1.00 H new ATOM 0 HA CYS A 17 11.772 1.733 0.565 1.00 1.00 H new ATOM 0 HB2 CYS A 17 14.108 1.505 2.267 1.00 1.00 H new ATOM 0 HB3 CYS A 17 14.579 2.193 0.725 1.00 1.00 H new ATOM 232 N CYS A 18 12.893 1.571 -1.689 1.00 1.00 N ATOM 233 CA CYS A 18 13.340 1.317 -3.050 1.00 1.00 C ATOM 234 C CYS A 18 14.855 1.427 -3.097 1.00 1.00 C ATOM 235 O CYS A 18 15.528 0.682 -3.810 1.00 1.00 O ATOM 236 CB CYS A 18 12.708 2.327 -4.001 1.00 1.00 C ATOM 237 SG CYS A 18 10.996 1.925 -4.394 1.00 1.00 S ATOM 0 H CYS A 18 12.322 2.410 -1.584 1.00 1.00 H new ATOM 0 HA CYS A 18 13.037 0.316 -3.359 1.00 1.00 H new ATOM 0 HB2 CYS A 18 12.751 3.320 -3.553 1.00 1.00 H new ATOM 0 HB3 CYS A 18 13.289 2.367 -4.922 1.00 1.00 H new ATOM 242 N SER A 19 15.380 2.360 -2.311 1.00 1.00 N ATOM 243 CA SER A 19 16.811 2.587 -2.223 1.00 1.00 C ATOM 244 C SER A 19 17.395 1.797 -1.056 1.00 1.00 C ATOM 245 O SER A 19 18.609 1.788 -0.847 1.00 1.00 O ATOM 246 CB SER A 19 17.089 4.070 -2.022 1.00 1.00 C ATOM 247 OG SER A 19 17.122 4.376 -0.633 1.00 1.00 O ATOM 0 H SER A 19 14.824 2.977 -1.719 1.00 1.00 H new ATOM 0 HA SER A 19 17.277 2.254 -3.150 1.00 1.00 H new ATOM 0 HB2 SER A 19 18.040 4.336 -2.484 1.00 1.00 H new ATOM 0 HB3 SER A 19 16.318 4.663 -2.515 1.00 1.00 H new ATOM 0 HG SER A 19 17.381 5.313 -0.511 1.00 1.00 H new ATOM 253 N GLN A 20 16.524 1.141 -0.292 1.00 1.00 N ATOM 254 CA GLN A 20 16.950 0.354 0.859 1.00 1.00 C ATOM 255 C GLN A 20 17.401 1.267 1.994 1.00 1.00 C ATOM 256 O GLN A 20 17.937 0.800 2.999 1.00 1.00 O ATOM 257 CB GLN A 20 18.088 -0.583 0.459 1.00 1.00 C ATOM 258 CG GLN A 20 17.600 -2.024 0.341 1.00 1.00 C ATOM 259 CD GLN A 20 16.735 -2.186 -0.902 1.00 1.00 C ATOM 260 OE1 GLN A 20 17.007 -1.587 -1.943 1.00 1.00 O ATOM 261 NE2 GLN A 20 15.689 -2.997 -0.794 1.00 1.00 N ATOM 0 H GLN A 20 15.517 1.140 -0.451 1.00 1.00 H new ATOM 0 HA GLN A 20 16.104 -0.239 1.206 1.00 1.00 H new ATOM 0 HB2 GLN A 20 18.511 -0.260 -0.492 1.00 1.00 H new ATOM 0 HB3 GLN A 20 18.887 -0.526 1.199 1.00 1.00 H new ATOM 0 HG2 GLN A 20 18.452 -2.701 0.291 1.00 1.00 H new ATOM 0 HG3 GLN A 20 17.029 -2.296 1.229 1.00 1.00 H new ATOM 0 HE21 GLN A 20 15.502 -3.473 0.088 1.00 1.00 H new ATOM 0 HE22 GLN A 20 15.073 -3.144 -1.594 1.00 1.00 H new ATOM 270 N SER A 21 17.185 2.571 1.830 1.00 1.00 N ATOM 271 CA SER A 21 17.577 3.542 2.846 1.00 1.00 C ATOM 272 C SER A 21 16.360 4.293 3.378 1.00 1.00 C ATOM 273 O SER A 21 15.813 5.163 2.701 1.00 1.00 O ATOM 274 CB SER A 21 18.573 4.532 2.255 1.00 1.00 C ATOM 275 OG SER A 21 19.904 4.083 2.465 1.00 1.00 O ATOM 0 H SER A 21 16.742 2.977 1.006 1.00 1.00 H new ATOM 0 HA SER A 21 18.041 3.006 3.674 1.00 1.00 H new ATOM 0 HB2 SER A 21 18.387 4.651 1.188 1.00 1.00 H new ATOM 0 HB3 SER A 21 18.437 5.512 2.713 1.00 1.00 H new ATOM 0 HG SER A 21 20.532 4.729 2.078 1.00 1.00 H new ATOM 281 N CYS A 22 15.949 3.965 4.601 1.00 1.00 N ATOM 282 CA CYS A 22 14.806 4.619 5.231 1.00 1.00 C ATOM 283 C CYS A 22 15.296 5.683 6.207 1.00 1.00 C ATOM 284 O CYS A 22 16.316 5.502 6.871 1.00 1.00 O ATOM 285 CB CYS A 22 13.953 3.592 5.967 1.00 1.00 C ATOM 286 SG CYS A 22 12.728 2.812 4.900 1.00 1.00 S ATOM 0 H CYS A 22 16.392 3.248 5.176 1.00 1.00 H new ATOM 0 HA CYS A 22 14.198 5.092 4.460 1.00 1.00 H new ATOM 0 HB2 CYS A 22 14.601 2.825 6.391 1.00 1.00 H new ATOM 0 HB3 CYS A 22 13.446 4.077 6.801 1.00 1.00 H new ATOM 291 N THR A 23 14.570 6.793 6.287 1.00 1.00 N ATOM 292 CA THR A 23 14.942 7.888 7.181 1.00 1.00 C ATOM 293 C THR A 23 13.730 8.354 7.984 1.00 1.00 C ATOM 294 O THR A 23 12.627 7.844 7.807 1.00 1.00 O ATOM 295 CB THR A 23 15.509 9.046 6.361 1.00 1.00 C ATOM 296 OG1 THR A 23 15.321 10.275 7.047 1.00 1.00 O ATOM 297 CG2 THR A 23 14.844 9.111 4.989 1.00 1.00 C ATOM 0 H THR A 23 13.722 6.960 5.745 1.00 1.00 H new ATOM 0 HA THR A 23 15.702 7.536 7.879 1.00 1.00 H new ATOM 0 HB THR A 23 16.577 8.875 6.224 1.00 1.00 H new ATOM 0 HG1 THR A 23 15.690 11.008 6.512 1.00 1.00 H new ATOM 0 HG21 THR A 23 15.262 9.942 4.421 1.00 1.00 H new ATOM 0 HG22 THR A 23 15.023 8.179 4.453 1.00 1.00 H new ATOM 0 HG23 THR A 23 13.771 9.258 5.111 1.00 1.00 H new ATOM 305 N PHE A 24 13.943 9.325 8.868 1.00 1.00 N ATOM 306 CA PHE A 24 12.866 9.864 9.695 1.00 1.00 C ATOM 307 C PHE A 24 12.697 11.356 9.424 1.00 1.00 C ATOM 308 O PHE A 24 13.607 12.147 9.675 1.00 1.00 O ATOM 309 CB PHE A 24 13.180 9.642 11.170 1.00 1.00 C ATOM 310 CG PHE A 24 12.224 8.691 11.845 1.00 1.00 C ATOM 311 CD1 PHE A 24 10.910 9.066 12.064 1.00 1.00 C ATOM 312 CD2 PHE A 24 12.663 7.441 12.251 1.00 1.00 C ATOM 313 CE1 PHE A 24 10.034 8.194 12.687 1.00 1.00 C ATOM 314 CE2 PHE A 24 11.787 6.569 12.876 1.00 1.00 C ATOM 315 CZ PHE A 24 10.472 6.945 13.094 1.00 1.00 C ATOM 0 H PHE A 24 14.853 9.756 9.031 1.00 1.00 H new ATOM 0 HA PHE A 24 11.939 9.348 9.446 1.00 1.00 H new ATOM 0 HB2 PHE A 24 14.195 9.255 11.264 1.00 1.00 H new ATOM 0 HB3 PHE A 24 13.155 10.601 11.688 1.00 1.00 H new ATOM 0 HD1 PHE A 24 10.568 10.040 11.748 1.00 1.00 H new ATOM 0 HD2 PHE A 24 13.688 7.147 12.080 1.00 1.00 H new ATOM 0 HE1 PHE A 24 9.009 8.488 12.856 1.00 1.00 H new ATOM 0 HE2 PHE A 24 12.130 5.595 13.194 1.00 1.00 H new ATOM 0 HZ PHE A 24 9.789 6.265 13.581 1.00 1.00 H new ATOM 325 N LYS A 25 11.531 11.736 8.912 1.00 1.00 N ATOM 326 CA LYS A 25 11.244 13.135 8.610 1.00 1.00 C ATOM 327 C LYS A 25 10.095 13.631 9.478 1.00 1.00 C ATOM 328 O LYS A 25 9.238 12.851 9.887 1.00 1.00 O ATOM 329 CB LYS A 25 10.889 13.286 7.135 1.00 1.00 C ATOM 330 CG LYS A 25 11.648 14.448 6.501 1.00 1.00 C ATOM 331 CD LYS A 25 10.857 15.749 6.608 1.00 1.00 C ATOM 332 CE LYS A 25 11.297 16.752 5.546 1.00 1.00 C ATOM 333 NZ LYS A 25 10.730 16.407 4.211 1.00 1.00 N ATOM 0 H LYS A 25 10.768 11.094 8.697 1.00 1.00 H new ATOM 0 HA LYS A 25 12.130 13.733 8.824 1.00 1.00 H new ATOM 0 HB2 LYS A 25 11.124 12.363 6.605 1.00 1.00 H new ATOM 0 HB3 LYS A 25 9.816 13.449 7.031 1.00 1.00 H new ATOM 0 HG2 LYS A 25 12.614 14.566 6.992 1.00 1.00 H new ATOM 0 HG3 LYS A 25 11.848 14.226 5.453 1.00 1.00 H new ATOM 0 HD2 LYS A 25 9.793 15.541 6.496 1.00 1.00 H new ATOM 0 HD3 LYS A 25 10.995 16.181 7.599 1.00 1.00 H new ATOM 0 HE2 LYS A 25 10.976 17.753 5.833 1.00 1.00 H new ATOM 0 HE3 LYS A 25 12.385 16.770 5.488 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 11.396 16.696 3.466 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 10.573 15.380 4.155 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 9.826 16.904 4.079 1.00 1.00 H new ATOM 347 N GLU A 26 10.086 14.928 9.762 1.00 1.00 N ATOM 348 CA GLU A 26 9.044 15.518 10.590 1.00 1.00 C ATOM 349 C GLU A 26 7.870 15.982 9.738 1.00 1.00 C ATOM 350 O GLU A 26 8.043 16.394 8.590 1.00 1.00 O ATOM 351 CB GLU A 26 9.608 16.695 11.377 1.00 1.00 C ATOM 352 CG GLU A 26 8.512 17.397 12.174 1.00 1.00 C ATOM 353 CD GLU A 26 9.117 18.163 13.342 1.00 1.00 C ATOM 354 OE1 GLU A 26 10.059 18.951 13.114 1.00 1.00 O ATOM 355 OE2 GLU A 26 8.649 17.975 14.484 1.00 1.00 O ATOM 0 H GLU A 26 10.788 15.590 9.431 1.00 1.00 H new ATOM 0 HA GLU A 26 8.687 14.757 11.284 1.00 1.00 H new ATOM 0 HB2 GLU A 26 10.387 16.344 12.054 1.00 1.00 H new ATOM 0 HB3 GLU A 26 10.076 17.403 10.693 1.00 1.00 H new ATOM 0 HG2 GLU A 26 7.963 18.081 11.527 1.00 1.00 H new ATOM 0 HG3 GLU A 26 7.795 16.664 12.543 1.00 1.00 H new ATOM 362 N ASN A 27 6.674 15.918 10.315 1.00 1.00 N ATOM 363 CA ASN A 27 5.458 16.333 9.624 1.00 1.00 C ATOM 364 C ASN A 27 4.937 17.634 10.214 1.00 1.00 C ATOM 365 O ASN A 27 5.581 18.246 11.067 1.00 1.00 O ATOM 366 CB ASN A 27 4.373 15.259 9.737 1.00 1.00 C ATOM 367 CG ASN A 27 4.786 14.156 10.707 1.00 1.00 C ATOM 368 OD1 ASN A 27 5.846 13.547 10.556 1.00 1.00 O ATOM 369 ND2 ASN A 27 3.945 13.899 11.702 1.00 1.00 N ATOM 0 H ASN A 27 6.521 15.581 11.265 1.00 1.00 H new ATOM 0 HA ASN A 27 5.703 16.480 8.572 1.00 1.00 H new ATOM 0 HB2 ASN A 27 3.442 15.714 10.075 1.00 1.00 H new ATOM 0 HB3 ASN A 27 4.180 14.829 8.754 1.00 1.00 H new ATOM 0 HD21 ASN A 27 4.166 13.171 12.381 1.00 1.00 H new ATOM 0 HD22 ASN A 27 3.078 14.430 11.787 1.00 1.00 H new ATOM 376 N GLU A 28 3.762 18.045 9.757 1.00 1.00 N ATOM 377 CA GLU A 28 3.136 19.267 10.234 1.00 1.00 C ATOM 378 C GLU A 28 2.228 18.969 11.419 1.00 1.00 C ATOM 379 O GLU A 28 2.110 19.773 12.343 1.00 1.00 O ATOM 380 CB GLU A 28 2.332 19.918 9.112 1.00 1.00 C ATOM 381 CG GLU A 28 1.934 21.346 9.477 1.00 1.00 C ATOM 382 CD GLU A 28 0.421 21.505 9.408 1.00 1.00 C ATOM 383 OE1 GLU A 28 -0.187 20.996 8.442 1.00 1.00 O ATOM 384 OE2 GLU A 28 -0.154 22.137 10.317 1.00 1.00 O ATOM 0 H GLU A 28 3.221 17.545 9.051 1.00 1.00 H new ATOM 0 HA GLU A 28 3.918 19.955 10.556 1.00 1.00 H new ATOM 0 HB2 GLU A 28 2.921 19.925 8.195 1.00 1.00 H new ATOM 0 HB3 GLU A 28 1.438 19.328 8.912 1.00 1.00 H new ATOM 0 HG2 GLU A 28 2.286 21.584 10.481 1.00 1.00 H new ATOM 0 HG3 GLU A 28 2.412 22.050 8.796 1.00 1.00 H new ATOM 391 N ASN A 29 1.587 17.804 11.385 1.00 1.00 N ATOM 392 CA ASN A 29 0.685 17.392 12.455 1.00 1.00 C ATOM 393 C ASN A 29 1.318 17.662 13.812 1.00 1.00 C ATOM 394 O ASN A 29 0.644 18.090 14.749 1.00 1.00 O ATOM 395 CB ASN A 29 0.356 15.910 12.318 1.00 1.00 C ATOM 396 CG ASN A 29 -0.600 15.477 13.421 1.00 1.00 C ATOM 397 OD1 ASN A 29 -1.819 15.557 13.268 1.00 1.00 O ATOM 398 ND2 ASN A 29 -0.048 15.018 14.538 1.00 1.00 N ATOM 0 H ASN A 29 1.676 17.128 10.626 1.00 1.00 H new ATOM 0 HA ASN A 29 -0.237 17.969 12.378 1.00 1.00 H new ATOM 0 HB2 ASN A 29 -0.092 15.719 11.343 1.00 1.00 H new ATOM 0 HB3 ASN A 29 1.272 15.321 12.369 1.00 1.00 H new ATOM 0 HD21 ASN A 29 -0.639 14.715 15.312 1.00 1.00 H new ATOM 0 HD22 ASN A 29 0.967 14.969 14.622 1.00 1.00 H new ATOM 405 N GLY A 30 2.618 17.409 13.912 1.00 1.00 N ATOM 406 CA GLY A 30 3.344 17.625 15.152 1.00 1.00 C ATOM 407 C GLY A 30 4.029 16.347 15.615 1.00 1.00 C ATOM 408 O GLY A 30 4.189 16.116 16.814 1.00 1.00 O ATOM 0 H GLY A 30 3.189 17.053 13.146 1.00 1.00 H new ATOM 0 HA2 GLY A 30 4.088 18.409 15.010 1.00 1.00 H new ATOM 0 HA3 GLY A 30 2.657 17.973 15.923 1.00 1.00 H new ATOM 412 N ASN A 31 4.435 15.518 14.659 1.00 1.00 N ATOM 413 CA ASN A 31 5.105 14.260 14.971 1.00 1.00 C ATOM 414 C ASN A 31 6.194 13.982 13.946 1.00 1.00 C ATOM 415 O ASN A 31 6.549 14.854 13.157 1.00 1.00 O ATOM 416 CB ASN A 31 4.092 13.120 14.977 1.00 1.00 C ATOM 417 CG ASN A 31 3.842 12.643 16.401 1.00 1.00 C ATOM 418 OD1 ASN A 31 4.529 11.751 16.897 1.00 1.00 O ATOM 419 ND2 ASN A 31 2.853 13.238 17.060 1.00 1.00 N ATOM 0 H ASN A 31 4.312 15.694 13.662 1.00 1.00 H new ATOM 0 HA ASN A 31 5.560 14.336 15.958 1.00 1.00 H new ATOM 0 HB2 ASN A 31 3.156 13.454 14.528 1.00 1.00 H new ATOM 0 HB3 ASN A 31 4.460 12.294 14.369 1.00 1.00 H new ATOM 0 HD21 ASN A 31 2.638 12.959 18.017 1.00 1.00 H new ATOM 0 HD22 ASN A 31 2.309 13.974 16.609 1.00 1.00 H new ATOM 426 N THR A 32 6.719 12.762 13.958 1.00 1.00 N ATOM 427 CA THR A 32 7.765 12.373 13.018 1.00 1.00 C ATOM 428 C THR A 32 7.537 10.945 12.540 1.00 1.00 C ATOM 429 O THR A 32 7.278 10.046 13.340 1.00 1.00 O ATOM 430 CB THR A 32 9.142 12.506 13.669 1.00 1.00 C ATOM 431 OG1 THR A 32 10.131 12.701 12.670 1.00 1.00 O ATOM 432 CG2 THR A 32 9.482 11.273 14.504 1.00 1.00 C ATOM 0 H THR A 32 6.439 12.026 14.607 1.00 1.00 H new ATOM 0 HA THR A 32 7.726 13.039 12.156 1.00 1.00 H new ATOM 0 HB THR A 32 9.121 13.369 14.334 1.00 1.00 H new ATOM 0 HG1 THR A 32 9.724 12.604 11.784 1.00 1.00 H new ATOM 0 HG21 THR A 32 10.467 11.398 14.954 1.00 1.00 H new ATOM 0 HG22 THR A 32 8.737 11.149 15.290 1.00 1.00 H new ATOM 0 HG23 THR A 32 9.485 10.390 13.865 1.00 1.00 H new ATOM 440 N VAL A 33 7.643 10.741 11.234 1.00 1.00 N ATOM 441 CA VAL A 33 7.455 9.423 10.646 1.00 1.00 C ATOM 442 C VAL A 33 8.702 9.031 9.875 1.00 1.00 C ATOM 443 O VAL A 33 9.689 9.760 9.871 1.00 1.00 O ATOM 444 CB VAL A 33 6.249 9.429 9.709 1.00 1.00 C ATOM 445 CG1 VAL A 33 5.594 8.053 9.665 1.00 1.00 C ATOM 446 CG2 VAL A 33 5.236 10.488 10.141 1.00 1.00 C ATOM 0 H VAL A 33 7.859 11.475 10.560 1.00 1.00 H new ATOM 0 HA VAL A 33 7.276 8.700 11.442 1.00 1.00 H new ATOM 0 HB VAL A 33 6.599 9.676 8.707 1.00 1.00 H new ATOM 0 HG11 VAL A 33 4.737 8.079 8.992 1.00 1.00 H new ATOM 0 HG12 VAL A 33 6.315 7.318 9.306 1.00 1.00 H new ATOM 0 HG13 VAL A 33 5.261 7.776 10.665 1.00 1.00 H new ATOM 0 HG21 VAL A 33 4.385 10.476 9.461 1.00 1.00 H new ATOM 0 HG22 VAL A 33 4.894 10.273 11.154 1.00 1.00 H new ATOM 0 HG23 VAL A 33 5.705 11.471 10.117 1.00 1.00 H new ATOM 456 N LYS A 34 8.656 7.884 9.218 1.00 1.00 N ATOM 457 CA LYS A 34 9.789 7.414 8.438 1.00 1.00 C ATOM 458 C LYS A 34 9.433 7.399 6.959 1.00 1.00 C ATOM 459 O LYS A 34 8.395 6.867 6.570 1.00 1.00 O ATOM 460 CB LYS A 34 10.189 6.016 8.895 1.00 1.00 C ATOM 461 CG LYS A 34 11.279 6.078 9.959 1.00 1.00 C ATOM 462 CD LYS A 34 11.387 4.757 10.716 1.00 1.00 C ATOM 463 CE LYS A 34 12.840 4.422 11.038 1.00 1.00 C ATOM 464 NZ LYS A 34 13.622 4.157 9.796 1.00 1.00 N ATOM 0 H LYS A 34 7.848 7.262 9.209 1.00 1.00 H new ATOM 0 HA LYS A 34 10.630 8.090 8.590 1.00 1.00 H new ATOM 0 HB2 LYS A 34 9.317 5.497 9.293 1.00 1.00 H new ATOM 0 HB3 LYS A 34 10.542 5.438 8.041 1.00 1.00 H new ATOM 0 HG2 LYS A 34 12.235 6.311 9.491 1.00 1.00 H new ATOM 0 HG3 LYS A 34 11.062 6.885 10.659 1.00 1.00 H new ATOM 0 HD2 LYS A 34 10.812 4.816 11.640 1.00 1.00 H new ATOM 0 HD3 LYS A 34 10.950 3.956 10.119 1.00 1.00 H new ATOM 0 HE2 LYS A 34 13.293 5.248 11.587 1.00 1.00 H new ATOM 0 HE3 LYS A 34 12.879 3.548 11.688 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 14.403 3.505 10.010 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 13.001 3.730 9.079 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 14.008 5.051 9.431 1.00 1.00 H new ATOM 478 N ARG A 35 10.295 7.989 6.140 1.00 1.00 N ATOM 479 CA ARG A 35 10.074 8.043 4.700 1.00 1.00 C ATOM 480 C ARG A 35 11.185 7.297 3.973 1.00 1.00 C ATOM 481 O ARG A 35 12.013 6.636 4.599 1.00 1.00 O ATOM 482 CB ARG A 35 10.027 9.495 4.233 1.00 1.00 C ATOM 483 CG ARG A 35 8.691 10.143 4.583 1.00 1.00 C ATOM 484 CD ARG A 35 8.840 11.648 4.769 1.00 1.00 C ATOM 485 NE ARG A 35 7.657 12.195 5.421 1.00 1.00 N ATOM 486 CZ ARG A 35 7.496 13.502 5.594 1.00 1.00 C ATOM 487 NH1 ARG A 35 8.385 14.352 5.100 1.00 1.00 N ATOM 488 NH2 ARG A 35 6.446 13.959 6.262 1.00 1.00 N ATOM 0 H ARG A 35 11.157 8.438 6.450 1.00 1.00 H new ATOM 0 HA ARG A 35 9.121 7.567 4.471 1.00 1.00 H new ATOM 0 HB2 ARG A 35 10.839 10.056 4.697 1.00 1.00 H new ATOM 0 HB3 ARG A 35 10.184 9.539 3.155 1.00 1.00 H new ATOM 0 HG2 ARG A 35 7.968 9.942 3.793 1.00 1.00 H new ATOM 0 HG3 ARG A 35 8.297 9.698 5.497 1.00 1.00 H new ATOM 0 HD2 ARG A 35 9.725 11.862 5.368 1.00 1.00 H new ATOM 0 HD3 ARG A 35 8.986 12.129 3.802 1.00 1.00 H new ATOM 0 HE ARG A 35 6.934 11.557 5.753 1.00 1.00 H new ATOM 0 HH11 ARG A 35 9.194 14.003 4.586 1.00 1.00 H new ATOM 0 HH12 ARG A 35 8.260 15.355 5.234 1.00 1.00 H new ATOM 0 HH21 ARG A 35 5.761 13.307 6.644 1.00 1.00 H new ATOM 0 HH22 ARG A 35 6.323 14.963 6.394 1.00 1.00 H new ATOM 502 N CYS A 36 11.195 7.399 2.649 1.00 1.00 N ATOM 503 CA CYS A 36 12.204 6.727 1.839 1.00 1.00 C ATOM 504 C CYS A 36 13.184 7.737 1.258 1.00 1.00 C ATOM 505 O CYS A 36 12.802 8.847 0.885 1.00 1.00 O ATOM 506 CB CYS A 36 11.530 5.944 0.717 1.00 1.00 C ATOM 507 SG CYS A 36 12.513 4.532 0.176 1.00 1.00 S ATOM 0 H CYS A 36 10.516 7.940 2.114 1.00 1.00 H new ATOM 0 HA CYS A 36 12.758 6.036 2.474 1.00 1.00 H new ATOM 0 HB2 CYS A 36 10.555 5.595 1.056 1.00 1.00 H new ATOM 0 HB3 CYS A 36 11.355 6.607 -0.130 1.00 1.00 H new ATOM 512 N ASP A 37 14.449 7.342 1.187 1.00 1.00 N ATOM 513 CA ASP A 37 15.498 8.204 0.656 1.00 1.00 C ATOM 514 C ASP A 37 15.452 8.222 -0.866 1.00 1.00 C ATOM 515 O ASP A 37 15.476 9.326 -1.450 1.00 0.00 O ATOM 516 CB ASP A 37 16.861 7.709 1.132 1.00 1.00 C ATOM 517 CG ASP A 37 17.225 8.368 2.456 1.00 1.00 C ATOM 518 OD1 ASP A 37 16.935 9.571 2.621 1.00 1.00 O ATOM 519 OD2 ASP A 37 17.799 7.680 3.325 1.00 1.00 O ATOM 520 OXT ASP A 37 15.392 7.131 -1.473 1.00 0.00 O ATOM 0 H ASP A 37 14.775 6.425 1.492 1.00 1.00 H new ATOM 0 HA ASP A 37 15.337 9.219 1.019 1.00 1.00 H new ATOM 0 HB2 ASP A 37 16.842 6.626 1.249 1.00 1.00 H new ATOM 0 HB3 ASP A 37 17.620 7.935 0.383 1.00 1.00 H new TER 525 ASP A 37