USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=10 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+ 151:sc= 0.0519 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.191 USER MOD Single : A 7 SER OG : rot 121:sc= 1.23 USER MOD Single : A 9 GLN : amide:sc= -0.369 X(o=-0.37,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -3.85! C(o=-3.8!,f=-11!) USER MOD Single : A 16 ASN : amide:sc= -2.28! C(o=-2.3!,f=-3.2!) USER MOD Single : A 19 SER OG : rot 172:sc= -0.578 USER MOD Single : A 20 GLN : amide:sc= -1.41 K(o=-1.4,f=-2.5!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.767! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -3.71! C(o=-3.7!,f=-9!) USER MOD Single : A 29 ASN : amide:sc= -0.136 K(o=-0.14,f=-0.87) USER MOD Single : A 31 ASN : amide:sc= -0.271 K(o=-0.27,f=-2.3!) USER MOD Single : A 32 THR OG1 : rot -7:sc= 1.18 USER MOD Single : A 34 LYS NZ :NH3+ 143:sc= 0.478 (180deg=-0.874) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -0.336 -4.995 -7.983 1.00 1.00 N ATOM 2 CA SER A 1 0.210 -5.003 -6.597 1.00 1.00 C ATOM 3 C SER A 1 1.304 -3.953 -6.459 1.00 1.00 C ATOM 4 O SER A 1 1.948 -3.580 -7.439 1.00 1.00 O ATOM 5 CB SER A 1 0.770 -6.375 -6.240 1.00 1.00 C ATOM 6 OG SER A 1 1.874 -6.691 -7.078 1.00 1.00 O ATOM 0 H1 SER A 1 -0.679 -5.946 -8.226 1.00 1.00 H new ATOM 0 H2 SER A 1 -1.123 -4.317 -8.042 1.00 1.00 H new ATOM 0 H3 SER A 1 0.412 -4.716 -8.649 1.00 1.00 H new ATOM 0 HA SER A 1 -0.605 -4.771 -5.911 1.00 1.00 H new ATOM 0 HB2 SER A 1 1.082 -6.387 -5.196 1.00 1.00 H new ATOM 0 HB3 SER A 1 -0.007 -7.132 -6.349 1.00 1.00 H new ATOM 0 HG SER A 1 2.225 -7.574 -6.837 1.00 1.00 H new ATOM 14 N PRO A 2 1.525 -3.463 -5.231 1.00 1.00 N ATOM 15 CA PRO A 2 2.547 -2.446 -4.953 1.00 1.00 C ATOM 16 C PRO A 2 3.949 -3.041 -4.886 1.00 1.00 C ATOM 17 O PRO A 2 4.117 -4.261 -4.865 1.00 1.00 O ATOM 18 CB PRO A 2 2.139 -1.880 -3.599 1.00 1.00 C ATOM 19 CG PRO A 2 1.349 -2.960 -2.932 1.00 1.00 C ATOM 20 CD PRO A 2 0.797 -3.858 -4.017 1.00 1.00 C ATOM 0 HA PRO A 2 2.594 -1.693 -5.740 1.00 1.00 H new ATOM 0 HB2 PRO A 2 3.014 -1.612 -3.007 1.00 1.00 H new ATOM 0 HB3 PRO A 2 1.544 -0.974 -3.716 1.00 1.00 H new ATOM 0 HG2 PRO A 2 1.979 -3.529 -2.248 1.00 1.00 H new ATOM 0 HG3 PRO A 2 0.540 -2.533 -2.340 1.00 1.00 H new ATOM 0 HD2 PRO A 2 0.960 -4.910 -3.782 1.00 1.00 H new ATOM 0 HD3 PRO A 2 -0.278 -3.721 -4.137 1.00 1.00 H new ATOM 28 N THR A 3 4.952 -2.170 -4.850 1.00 1.00 N ATOM 29 CA THR A 3 6.344 -2.603 -4.781 1.00 1.00 C ATOM 30 C THR A 3 7.070 -1.854 -3.670 1.00 1.00 C ATOM 31 O THR A 3 6.446 -1.390 -2.715 1.00 1.00 O ATOM 32 CB THR A 3 7.032 -2.358 -6.124 1.00 1.00 C ATOM 33 OG1 THR A 3 8.172 -3.195 -6.247 1.00 1.00 O ATOM 34 CG2 THR A 3 7.437 -0.893 -6.273 1.00 1.00 C ATOM 0 H THR A 3 4.827 -1.158 -4.867 1.00 1.00 H new ATOM 0 HA THR A 3 6.375 -3.670 -4.560 1.00 1.00 H new ATOM 0 HB THR A 3 6.325 -2.598 -6.918 1.00 1.00 H new ATOM 0 HG1 THR A 3 8.605 -3.033 -7.111 1.00 1.00 H new ATOM 0 HG21 THR A 3 7.924 -0.746 -7.237 1.00 1.00 H new ATOM 0 HG22 THR A 3 6.550 -0.263 -6.215 1.00 1.00 H new ATOM 0 HG23 THR A 3 8.127 -0.623 -5.473 1.00 1.00 H new ATOM 42 N CYS A 4 8.387 -1.733 -3.796 1.00 1.00 N ATOM 43 CA CYS A 4 9.188 -1.037 -2.800 1.00 1.00 C ATOM 44 C CYS A 4 8.698 0.396 -2.637 1.00 1.00 C ATOM 45 O CYS A 4 8.114 0.970 -3.556 1.00 1.00 O ATOM 46 CB CYS A 4 10.654 -1.044 -3.218 1.00 1.00 C ATOM 47 SG CYS A 4 10.935 -0.162 -4.763 1.00 1.00 S ATOM 0 H CYS A 4 8.921 -2.109 -4.579 1.00 1.00 H new ATOM 0 HA CYS A 4 9.087 -1.551 -1.844 1.00 1.00 H new ATOM 0 HB2 CYS A 4 11.255 -0.591 -2.430 1.00 1.00 H new ATOM 0 HB3 CYS A 4 10.993 -2.074 -3.325 1.00 1.00 H new ATOM 52 N ILE A 5 8.939 0.969 -1.463 1.00 1.00 N ATOM 53 CA ILE A 5 8.522 2.338 -1.179 1.00 1.00 C ATOM 54 C ILE A 5 9.502 3.317 -1.803 1.00 1.00 C ATOM 55 O ILE A 5 10.644 3.424 -1.371 1.00 1.00 O ATOM 56 CB ILE A 5 8.462 2.557 0.325 1.00 1.00 C ATOM 57 CG1 ILE A 5 7.409 1.648 0.948 1.00 1.00 C ATOM 58 CG2 ILE A 5 8.164 4.017 0.647 1.00 1.00 C ATOM 59 CD1 ILE A 5 8.044 0.666 1.925 1.00 1.00 C ATOM 0 H ILE A 5 9.421 0.507 -0.692 1.00 1.00 H new ATOM 0 HA ILE A 5 7.532 2.504 -1.605 1.00 1.00 H new ATOM 0 HB ILE A 5 9.435 2.307 0.749 1.00 1.00 H new ATOM 0 HG12 ILE A 5 6.663 2.251 1.466 1.00 1.00 H new ATOM 0 HG13 ILE A 5 6.887 1.100 0.164 1.00 1.00 H new ATOM 0 HG21 ILE A 5 8.126 4.151 1.728 1.00 1.00 H new ATOM 0 HG22 ILE A 5 8.949 4.649 0.231 1.00 1.00 H new ATOM 0 HG23 ILE A 5 7.204 4.297 0.213 1.00 1.00 H new ATOM 0 HD11 ILE A 5 7.271 0.029 2.355 1.00 1.00 H new ATOM 0 HD12 ILE A 5 8.771 0.048 1.399 1.00 1.00 H new ATOM 0 HD13 ILE A 5 8.545 1.217 2.721 1.00 1.00 H new ATOM 71 N PRO A 6 9.061 4.052 -2.826 1.00 1.00 N ATOM 72 CA PRO A 6 9.910 5.031 -3.515 1.00 1.00 C ATOM 73 C PRO A 6 10.191 6.259 -2.663 1.00 1.00 C ATOM 74 O PRO A 6 9.468 6.547 -1.714 1.00 1.00 O ATOM 75 CB PRO A 6 9.118 5.392 -4.764 1.00 1.00 C ATOM 76 CG PRO A 6 7.693 5.096 -4.430 1.00 1.00 C ATOM 77 CD PRO A 6 7.704 4.001 -3.387 1.00 1.00 C ATOM 0 HA PRO A 6 10.896 4.624 -3.741 1.00 1.00 H new ATOM 0 HB2 PRO A 6 9.251 6.442 -5.023 1.00 1.00 H new ATOM 0 HB3 PRO A 6 9.450 4.808 -5.622 1.00 1.00 H new ATOM 0 HG2 PRO A 6 7.193 5.987 -4.050 1.00 1.00 H new ATOM 0 HG3 PRO A 6 7.146 4.778 -5.318 1.00 1.00 H new ATOM 0 HD2 PRO A 6 6.949 4.174 -2.620 1.00 1.00 H new ATOM 0 HD3 PRO A 6 7.492 3.028 -3.829 1.00 1.00 H new ATOM 85 N SER A 7 11.259 6.968 -3.007 1.00 1.00 N ATOM 86 CA SER A 7 11.665 8.168 -2.278 1.00 1.00 C ATOM 87 C SER A 7 10.501 9.141 -2.138 1.00 1.00 C ATOM 88 O SER A 7 9.895 9.549 -3.129 1.00 1.00 O ATOM 89 CB SER A 7 12.820 8.847 -3.005 1.00 1.00 C ATOM 90 OG SER A 7 13.048 10.141 -2.466 1.00 1.00 O ATOM 0 H SER A 7 11.865 6.732 -3.792 1.00 1.00 H new ATOM 0 HA SER A 7 11.986 7.871 -1.280 1.00 1.00 H new ATOM 0 HB2 SER A 7 13.722 8.243 -2.913 1.00 1.00 H new ATOM 0 HB3 SER A 7 12.595 8.923 -4.069 1.00 1.00 H new ATOM 0 HG SER A 7 13.967 10.199 -2.132 1.00 1.00 H new ATOM 96 N GLY A 8 10.202 9.520 -0.897 1.00 1.00 N ATOM 97 CA GLY A 8 9.121 10.462 -0.620 1.00 1.00 C ATOM 98 C GLY A 8 7.945 9.778 0.068 1.00 1.00 C ATOM 99 O GLY A 8 7.175 10.419 0.782 1.00 1.00 O ATOM 0 H GLY A 8 10.694 9.189 -0.067 1.00 1.00 H new ATOM 0 HA2 GLY A 8 9.493 11.269 0.011 1.00 1.00 H new ATOM 0 HA3 GLY A 8 8.785 10.915 -1.552 1.00 1.00 H new ATOM 103 N GLN A 9 7.809 8.478 -0.153 1.00 1.00 N ATOM 104 CA GLN A 9 6.723 7.706 0.444 1.00 1.00 C ATOM 105 C GLN A 9 7.149 7.155 1.798 1.00 1.00 C ATOM 106 O GLN A 9 8.339 7.056 2.090 1.00 1.00 O ATOM 107 CB GLN A 9 6.331 6.560 -0.485 1.00 1.00 C ATOM 108 CG GLN A 9 4.845 6.608 -0.826 1.00 1.00 C ATOM 109 CD GLN A 9 4.653 6.744 -2.332 1.00 1.00 C ATOM 110 OE1 GLN A 9 4.378 7.832 -2.837 1.00 1.00 O ATOM 111 NE2 GLN A 9 4.800 5.636 -3.050 1.00 1.00 N ATOM 0 H GLN A 9 8.438 7.933 -0.743 1.00 1.00 H new ATOM 0 HA GLN A 9 5.863 8.361 0.588 1.00 1.00 H new ATOM 0 HB2 GLN A 9 6.919 6.614 -1.401 1.00 1.00 H new ATOM 0 HB3 GLN A 9 6.567 5.607 -0.011 1.00 1.00 H new ATOM 0 HG2 GLN A 9 4.354 5.703 -0.470 1.00 1.00 H new ATOM 0 HG3 GLN A 9 4.374 7.448 -0.315 1.00 1.00 H new ATOM 0 HE21 GLN A 9 5.028 4.756 -2.588 1.00 1.00 H new ATOM 0 HE22 GLN A 9 4.685 5.666 -4.063 1.00 1.00 H new ATOM 120 N PRO A 10 6.174 6.795 2.646 1.00 1.00 N ATOM 121 CA PRO A 10 6.446 6.255 3.987 1.00 1.00 C ATOM 122 C PRO A 10 6.896 4.798 3.946 1.00 1.00 C ATOM 123 O PRO A 10 6.286 3.966 3.274 1.00 1.00 O ATOM 124 CB PRO A 10 5.115 6.392 4.711 1.00 1.00 C ATOM 125 CG PRO A 10 4.073 6.402 3.641 1.00 1.00 C ATOM 126 CD PRO A 10 4.733 6.890 2.372 1.00 1.00 C ATOM 0 HA PRO A 10 7.261 6.785 4.480 1.00 1.00 H new ATOM 0 HB2 PRO A 10 4.958 5.564 5.403 1.00 1.00 H new ATOM 0 HB3 PRO A 10 5.082 7.309 5.299 1.00 1.00 H new ATOM 0 HG2 PRO A 10 3.659 5.404 3.499 1.00 1.00 H new ATOM 0 HG3 PRO A 10 3.245 7.054 3.918 1.00 1.00 H new ATOM 0 HD2 PRO A 10 4.450 6.276 1.517 1.00 1.00 H new ATOM 0 HD3 PRO A 10 4.440 7.914 2.141 1.00 1.00 H new ATOM 134 N CYS A 11 7.969 4.498 4.675 1.00 1.00 N ATOM 135 CA CYS A 11 8.513 3.145 4.734 1.00 1.00 C ATOM 136 C CYS A 11 8.612 2.678 6.180 1.00 1.00 C ATOM 137 O CYS A 11 8.983 3.447 7.067 1.00 1.00 O ATOM 138 CB CYS A 11 9.893 3.115 4.086 1.00 1.00 C ATOM 139 SG CYS A 11 11.112 4.048 5.033 1.00 1.00 S ATOM 0 H CYS A 11 8.481 5.179 5.236 1.00 1.00 H new ATOM 0 HA CYS A 11 7.846 2.474 4.193 1.00 1.00 H new ATOM 0 HB2 CYS A 11 10.225 2.081 3.989 1.00 1.00 H new ATOM 0 HB3 CYS A 11 9.828 3.524 3.078 1.00 1.00 H new ATOM 144 N PRO A 12 8.280 1.403 6.436 1.00 1.00 N ATOM 145 CA PRO A 12 8.330 0.823 7.784 1.00 1.00 C ATOM 146 C PRO A 12 9.748 0.438 8.196 1.00 1.00 C ATOM 147 O PRO A 12 10.115 0.549 9.368 1.00 1.00 O ATOM 148 CB PRO A 12 7.442 -0.410 7.683 1.00 1.00 C ATOM 149 CG PRO A 12 7.451 -0.799 6.238 1.00 1.00 C ATOM 150 CD PRO A 12 7.826 0.427 5.436 1.00 1.00 C ATOM 0 HA PRO A 12 7.998 1.532 8.543 1.00 1.00 H new ATOM 0 HB2 PRO A 12 7.822 -1.218 8.308 1.00 1.00 H new ATOM 0 HB3 PRO A 12 6.430 -0.192 8.023 1.00 1.00 H new ATOM 0 HG2 PRO A 12 8.165 -1.604 6.063 1.00 1.00 H new ATOM 0 HG3 PRO A 12 6.472 -1.170 5.935 1.00 1.00 H new ATOM 0 HD2 PRO A 12 8.613 0.203 4.715 1.00 1.00 H new ATOM 0 HD3 PRO A 12 6.975 0.806 4.871 1.00 1.00 H new ATOM 158 N TYR A 13 10.542 -0.014 7.230 1.00 1.00 N ATOM 159 CA TYR A 13 11.922 -0.415 7.494 1.00 1.00 C ATOM 160 C TYR A 13 12.829 0.008 6.347 1.00 1.00 C ATOM 161 O TYR A 13 12.373 0.196 5.220 1.00 1.00 O ATOM 162 CB TYR A 13 12.006 -1.928 7.669 1.00 1.00 C ATOM 163 CG TYR A 13 10.741 -2.530 8.222 1.00 1.00 C ATOM 164 CD1 TYR A 13 10.519 -2.549 9.587 1.00 1.00 C ATOM 165 CD2 TYR A 13 9.801 -3.070 7.361 1.00 1.00 C ATOM 166 CE1 TYR A 13 9.357 -3.108 10.091 1.00 1.00 C ATOM 167 CE2 TYR A 13 8.640 -3.628 7.867 1.00 1.00 C ATOM 168 CZ TYR A 13 8.424 -3.645 9.228 1.00 1.00 C ATOM 169 OH TYR A 13 7.269 -4.199 9.731 1.00 1.00 O ATOM 0 H TYR A 13 10.254 -0.112 6.256 1.00 1.00 H new ATOM 0 HA TYR A 13 12.250 0.076 8.410 1.00 1.00 H new ATOM 0 HB2 TYR A 13 12.229 -2.387 6.706 1.00 1.00 H new ATOM 0 HB3 TYR A 13 12.836 -2.165 8.335 1.00 1.00 H new ATOM 0 HD1 TYR A 13 11.252 -2.128 10.259 1.00 1.00 H new ATOM 0 HD2 TYR A 13 9.974 -3.056 6.295 1.00 1.00 H new ATOM 0 HE1 TYR A 13 9.181 -3.124 11.157 1.00 1.00 H new ATOM 0 HE2 TYR A 13 7.905 -4.049 7.197 1.00 1.00 H new ATOM 0 HH TYR A 13 6.717 -4.531 8.993 1.00 1.00 H new ATOM 179 N ASN A 14 14.121 0.140 6.639 1.00 1.00 N ATOM 180 CA ASN A 14 15.098 0.522 5.630 1.00 1.00 C ATOM 181 C ASN A 14 15.218 -0.571 4.572 1.00 1.00 C ATOM 182 O ASN A 14 15.846 -0.376 3.531 1.00 1.00 O ATOM 183 CB ASN A 14 16.455 0.761 6.285 1.00 1.00 C ATOM 184 CG ASN A 14 16.306 1.560 7.565 1.00 1.00 C ATOM 185 OD1 ASN A 14 15.197 1.828 8.026 1.00 1.00 O ATOM 186 ND2 ASN A 14 17.434 1.941 8.140 1.00 1.00 N ATOM 0 H ASN A 14 14.513 -0.013 7.568 1.00 1.00 H new ATOM 0 HA ASN A 14 14.766 1.442 5.150 1.00 1.00 H new ATOM 0 HB2 ASN A 14 16.932 -0.195 6.502 1.00 1.00 H new ATOM 0 HB3 ASN A 14 17.108 1.293 5.593 1.00 1.00 H new ATOM 0 HD21 ASN A 14 17.408 2.482 9.004 1.00 1.00 H new ATOM 0 HD22 ASN A 14 18.330 1.694 7.719 1.00 1.00 H new ATOM 193 N GLU A 15 14.616 -1.726 4.852 1.00 1.00 N ATOM 194 CA GLU A 15 14.658 -2.861 3.937 1.00 1.00 C ATOM 195 C GLU A 15 13.505 -2.797 2.941 1.00 1.00 C ATOM 196 O GLU A 15 13.588 -3.355 1.846 1.00 1.00 O ATOM 197 CB GLU A 15 14.576 -4.161 4.733 1.00 1.00 C ATOM 198 CG GLU A 15 15.696 -5.121 4.340 1.00 1.00 C ATOM 199 CD GLU A 15 16.768 -5.149 5.420 1.00 1.00 C ATOM 200 OE1 GLU A 15 16.451 -5.541 6.564 1.00 1.00 O ATOM 201 OE2 GLU A 15 17.924 -4.781 5.122 1.00 1.00 O ATOM 0 H GLU A 15 14.092 -1.899 5.710 1.00 1.00 H new ATOM 0 HA GLU A 15 15.596 -2.826 3.383 1.00 1.00 H new ATOM 0 HB2 GLU A 15 14.638 -3.942 5.799 1.00 1.00 H new ATOM 0 HB3 GLU A 15 13.610 -4.635 4.561 1.00 1.00 H new ATOM 0 HG2 GLU A 15 15.291 -6.122 4.193 1.00 1.00 H new ATOM 0 HG3 GLU A 15 16.134 -4.812 3.391 1.00 1.00 H new ATOM 208 N ASN A 16 12.427 -2.125 3.328 1.00 1.00 N ATOM 209 CA ASN A 16 11.255 -2.002 2.467 1.00 1.00 C ATOM 210 C ASN A 16 11.342 -0.749 1.605 1.00 1.00 C ATOM 211 O ASN A 16 10.355 -0.340 0.992 1.00 1.00 O ATOM 212 CB ASN A 16 9.987 -1.961 3.315 1.00 1.00 C ATOM 213 CG ASN A 16 8.818 -2.563 2.546 1.00 1.00 C ATOM 214 OD1 ASN A 16 9.008 -3.377 1.641 1.00 1.00 O ATOM 215 ND2 ASN A 16 7.604 -2.162 2.906 1.00 1.00 N ATOM 0 H ASN A 16 12.339 -1.658 4.230 1.00 1.00 H new ATOM 0 HA ASN A 16 11.222 -2.870 1.809 1.00 1.00 H new ATOM 0 HB2 ASN A 16 10.143 -2.512 4.242 1.00 1.00 H new ATOM 0 HB3 ASN A 16 9.759 -0.931 3.590 1.00 1.00 H new ATOM 0 HD21 ASN A 16 6.782 -2.530 2.427 1.00 1.00 H new ATOM 0 HD22 ASN A 16 7.493 -1.486 3.662 1.00 1.00 H new ATOM 222 N CYS A 17 12.522 -0.142 1.554 1.00 1.00 N ATOM 223 CA CYS A 17 12.724 1.064 0.756 1.00 1.00 C ATOM 224 C CYS A 17 13.264 0.705 -0.621 1.00 1.00 C ATOM 225 O CYS A 17 14.054 -0.228 -0.764 1.00 1.00 O ATOM 226 CB CYS A 17 13.692 2.010 1.456 1.00 1.00 C ATOM 227 SG CYS A 17 12.908 3.561 1.926 1.00 1.00 S ATOM 0 H CYS A 17 13.351 -0.463 2.053 1.00 1.00 H new ATOM 0 HA CYS A 17 11.761 1.562 0.642 1.00 1.00 H new ATOM 0 HB2 CYS A 17 14.093 1.524 2.345 1.00 1.00 H new ATOM 0 HB3 CYS A 17 14.536 2.216 0.797 1.00 1.00 H new ATOM 232 N CYS A 18 12.847 1.459 -1.630 1.00 1.00 N ATOM 233 CA CYS A 18 13.300 1.229 -2.991 1.00 1.00 C ATOM 234 C CYS A 18 14.810 1.404 -3.053 1.00 1.00 C ATOM 235 O CYS A 18 15.508 0.675 -3.755 1.00 1.00 O ATOM 236 CB CYS A 18 12.617 2.211 -3.937 1.00 1.00 C ATOM 237 SG CYS A 18 10.892 1.788 -4.239 1.00 1.00 S ATOM 0 H CYS A 18 12.194 2.236 -1.529 1.00 1.00 H new ATOM 0 HA CYS A 18 13.043 0.215 -3.296 1.00 1.00 H new ATOM 0 HB2 CYS A 18 12.674 3.215 -3.517 1.00 1.00 H new ATOM 0 HB3 CYS A 18 13.154 2.231 -4.885 1.00 1.00 H new ATOM 242 N SER A 19 15.300 2.378 -2.294 1.00 1.00 N ATOM 243 CA SER A 19 16.723 2.669 -2.228 1.00 1.00 C ATOM 244 C SER A 19 17.366 1.919 -1.065 1.00 1.00 C ATOM 245 O SER A 19 18.581 1.970 -0.880 1.00 1.00 O ATOM 246 CB SER A 19 16.937 4.167 -2.046 1.00 1.00 C ATOM 247 OG SER A 19 16.988 4.487 -0.662 1.00 1.00 O ATOM 0 H SER A 19 14.723 2.984 -1.711 1.00 1.00 H new ATOM 0 HA SER A 19 17.187 2.345 -3.159 1.00 1.00 H new ATOM 0 HB2 SER A 19 17.864 4.472 -2.532 1.00 1.00 H new ATOM 0 HB3 SER A 19 16.129 4.719 -2.526 1.00 1.00 H new ATOM 0 HG SER A 19 17.253 5.424 -0.552 1.00 1.00 H new ATOM 253 N GLN A 20 16.538 1.231 -0.279 1.00 1.00 N ATOM 254 CA GLN A 20 17.014 0.474 0.875 1.00 1.00 C ATOM 255 C GLN A 20 17.436 1.413 1.999 1.00 1.00 C ATOM 256 O GLN A 20 17.986 0.974 3.009 1.00 1.00 O ATOM 257 CB GLN A 20 18.185 -0.422 0.475 1.00 1.00 C ATOM 258 CG GLN A 20 17.779 -1.408 -0.617 1.00 1.00 C ATOM 259 CD GLN A 20 16.565 -2.213 -0.171 1.00 1.00 C ATOM 260 OE1 GLN A 20 15.522 -2.195 -0.824 1.00 1.00 O ATOM 261 NE2 GLN A 20 16.701 -2.919 0.945 1.00 1.00 N ATOM 0 H GLN A 20 15.529 1.183 -0.423 1.00 1.00 H new ATOM 0 HA GLN A 20 16.196 -0.151 1.234 1.00 1.00 H new ATOM 0 HB2 GLN A 20 19.013 0.193 0.123 1.00 1.00 H new ATOM 0 HB3 GLN A 20 18.542 -0.969 1.348 1.00 1.00 H new ATOM 0 HG2 GLN A 20 17.550 -0.870 -1.537 1.00 1.00 H new ATOM 0 HG3 GLN A 20 18.609 -2.079 -0.838 1.00 1.00 H new ATOM 0 HE21 GLN A 20 17.585 -2.904 1.454 1.00 1.00 H new ATOM 0 HE22 GLN A 20 15.922 -3.477 1.294 1.00 1.00 H new ATOM 270 N SER A 21 17.182 2.708 1.822 1.00 1.00 N ATOM 271 CA SER A 21 17.542 3.699 2.829 1.00 1.00 C ATOM 272 C SER A 21 16.299 4.419 3.347 1.00 1.00 C ATOM 273 O SER A 21 15.682 5.200 2.626 1.00 1.00 O ATOM 274 CB SER A 21 18.511 4.711 2.229 1.00 1.00 C ATOM 275 OG SER A 21 19.850 4.264 2.383 1.00 1.00 O ATOM 0 H SER A 21 16.730 3.093 0.993 1.00 1.00 H new ATOM 0 HA SER A 21 18.019 3.188 3.665 1.00 1.00 H new ATOM 0 HB2 SER A 21 18.288 4.855 1.172 1.00 1.00 H new ATOM 0 HB3 SER A 21 18.385 5.678 2.716 1.00 1.00 H new ATOM 0 HG SER A 21 20.462 4.922 1.992 1.00 1.00 H new ATOM 281 N CYS A 22 15.941 4.159 4.603 1.00 1.00 N ATOM 282 CA CYS A 22 14.778 4.793 5.218 1.00 1.00 C ATOM 283 C CYS A 22 15.230 5.914 6.148 1.00 1.00 C ATOM 284 O CYS A 22 16.284 5.819 6.778 1.00 1.00 O ATOM 285 CB CYS A 22 13.971 3.763 6.004 1.00 1.00 C ATOM 286 SG CYS A 22 12.768 2.893 4.983 1.00 1.00 S ATOM 0 H CYS A 22 16.440 3.513 5.215 1.00 1.00 H new ATOM 0 HA CYS A 22 14.148 5.210 4.432 1.00 1.00 H new ATOM 0 HB2 CYS A 22 14.652 3.039 6.452 1.00 1.00 H new ATOM 0 HB3 CYS A 22 13.453 4.262 6.823 1.00 1.00 H new ATOM 291 N THR A 23 14.436 6.976 6.230 1.00 1.00 N ATOM 292 CA THR A 23 14.767 8.115 7.083 1.00 1.00 C ATOM 293 C THR A 23 13.554 8.537 7.907 1.00 1.00 C ATOM 294 O THR A 23 12.467 7.985 7.755 1.00 1.00 O ATOM 295 CB THR A 23 15.248 9.280 6.222 1.00 1.00 C ATOM 296 OG1 THR A 23 15.051 10.508 6.906 1.00 1.00 O ATOM 297 CG2 THR A 23 14.513 9.305 4.885 1.00 1.00 C ATOM 0 H THR A 23 13.559 7.073 5.718 1.00 1.00 H new ATOM 0 HA THR A 23 15.563 7.822 7.768 1.00 1.00 H new ATOM 0 HB THR A 23 16.312 9.145 6.029 1.00 1.00 H new ATOM 0 HG1 THR A 23 15.364 11.248 6.346 1.00 1.00 H new ATOM 0 HG21 THR A 23 14.872 10.143 4.288 1.00 1.00 H new ATOM 0 HG22 THR A 23 14.698 8.373 4.350 1.00 1.00 H new ATOM 0 HG23 THR A 23 13.443 9.416 5.060 1.00 1.00 H new ATOM 305 N PHE A 24 13.752 9.519 8.783 1.00 1.00 N ATOM 306 CA PHE A 24 12.677 10.021 9.636 1.00 1.00 C ATOM 307 C PHE A 24 12.490 11.521 9.423 1.00 1.00 C ATOM 308 O PHE A 24 13.370 12.316 9.754 1.00 1.00 O ATOM 309 CB PHE A 24 13.007 9.748 11.101 1.00 1.00 C ATOM 310 CG PHE A 24 12.008 8.847 11.782 1.00 1.00 C ATOM 311 CD1 PHE A 24 10.689 9.245 11.909 1.00 1.00 C ATOM 312 CD2 PHE A 24 12.411 7.621 12.286 1.00 1.00 C ATOM 313 CE1 PHE A 24 9.771 8.420 12.537 1.00 1.00 C ATOM 314 CE2 PHE A 24 11.494 6.795 12.915 1.00 1.00 C ATOM 315 CZ PHE A 24 10.175 7.194 13.040 1.00 1.00 C ATOM 0 H PHE A 24 14.649 9.984 8.921 1.00 1.00 H new ATOM 0 HA PHE A 24 11.752 9.508 9.372 1.00 1.00 H new ATOM 0 HB2 PHE A 24 13.996 9.295 11.165 1.00 1.00 H new ATOM 0 HB3 PHE A 24 13.055 10.696 11.638 1.00 1.00 H new ATOM 0 HD1 PHE A 24 10.375 10.201 11.517 1.00 1.00 H new ATOM 0 HD2 PHE A 24 13.440 7.309 12.188 1.00 1.00 H new ATOM 0 HE1 PHE A 24 8.742 8.732 12.635 1.00 1.00 H new ATOM 0 HE2 PHE A 24 11.809 5.839 13.308 1.00 1.00 H new ATOM 0 HZ PHE A 24 9.460 6.549 13.530 1.00 1.00 H new ATOM 325 N LYS A 25 11.339 11.902 8.879 1.00 1.00 N ATOM 326 CA LYS A 25 11.033 13.307 8.631 1.00 1.00 C ATOM 327 C LYS A 25 9.924 13.765 9.568 1.00 1.00 C ATOM 328 O LYS A 25 9.175 12.947 10.099 1.00 1.00 O ATOM 329 CB LYS A 25 10.605 13.500 7.179 1.00 1.00 C ATOM 330 CG LYS A 25 10.880 14.925 6.706 1.00 1.00 C ATOM 331 CD LYS A 25 10.245 15.186 5.343 1.00 1.00 C ATOM 332 CE LYS A 25 11.185 15.978 4.439 1.00 1.00 C ATOM 333 NZ LYS A 25 12.206 15.092 3.810 1.00 1.00 N ATOM 0 H LYS A 25 10.601 11.256 8.601 1.00 1.00 H new ATOM 0 HA LYS A 25 11.925 13.905 8.816 1.00 1.00 H new ATOM 0 HB2 LYS A 25 11.139 12.794 6.543 1.00 1.00 H new ATOM 0 HB3 LYS A 25 9.542 13.279 7.078 1.00 1.00 H new ATOM 0 HG2 LYS A 25 10.488 15.635 7.435 1.00 1.00 H new ATOM 0 HG3 LYS A 25 11.956 15.090 6.647 1.00 1.00 H new ATOM 0 HD2 LYS A 25 9.993 14.238 4.869 1.00 1.00 H new ATOM 0 HD3 LYS A 25 9.312 15.735 5.472 1.00 1.00 H new ATOM 0 HE2 LYS A 25 10.608 16.480 3.662 1.00 1.00 H new ATOM 0 HE3 LYS A 25 11.683 16.755 5.020 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 12.830 15.659 3.201 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 12.771 14.632 4.552 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 11.730 14.366 3.237 1.00 1.00 H new ATOM 347 N GLU A 26 9.824 15.072 9.779 1.00 1.00 N ATOM 348 CA GLU A 26 8.809 15.623 10.662 1.00 1.00 C ATOM 349 C GLU A 26 7.634 16.172 9.862 1.00 1.00 C ATOM 350 O GLU A 26 7.816 16.802 8.821 1.00 1.00 O ATOM 351 CB GLU A 26 9.413 16.724 11.525 1.00 1.00 C ATOM 352 CG GLU A 26 8.696 16.829 12.867 1.00 1.00 C ATOM 353 CD GLU A 26 9.652 17.333 13.939 1.00 1.00 C ATOM 354 OE1 GLU A 26 10.487 18.208 13.628 1.00 1.00 O ATOM 355 OE2 GLU A 26 9.566 16.852 15.089 1.00 1.00 O ATOM 0 H GLU A 26 10.434 15.768 9.350 1.00 1.00 H new ATOM 0 HA GLU A 26 8.441 14.823 11.305 1.00 1.00 H new ATOM 0 HB2 GLU A 26 10.471 16.521 11.690 1.00 1.00 H new ATOM 0 HB3 GLU A 26 9.349 17.677 11.000 1.00 1.00 H new ATOM 0 HG2 GLU A 26 7.846 17.506 12.781 1.00 1.00 H new ATOM 0 HG3 GLU A 26 8.300 15.855 13.153 1.00 1.00 H new ATOM 362 N ASN A 27 6.427 15.930 10.362 1.00 1.00 N ATOM 363 CA ASN A 27 5.210 16.397 9.709 1.00 1.00 C ATOM 364 C ASN A 27 4.769 17.725 10.306 1.00 1.00 C ATOM 365 O ASN A 27 5.461 18.299 11.147 1.00 1.00 O ATOM 366 CB ASN A 27 4.079 15.374 9.865 1.00 1.00 C ATOM 367 CG ASN A 27 4.577 14.089 10.517 1.00 1.00 C ATOM 368 OD1 ASN A 27 5.613 13.544 10.134 1.00 1.00 O ATOM 369 ND2 ASN A 27 3.835 13.603 11.507 1.00 1.00 N ATOM 0 H ASN A 27 6.265 15.409 11.224 1.00 1.00 H new ATOM 0 HA ASN A 27 5.427 16.526 8.649 1.00 1.00 H new ATOM 0 HB2 ASN A 27 3.279 15.803 10.468 1.00 1.00 H new ATOM 0 HB3 ASN A 27 3.654 15.147 8.887 1.00 1.00 H new ATOM 0 HD21 ASN A 27 4.117 12.746 11.982 1.00 1.00 H new ATOM 0 HD22 ASN A 27 2.984 14.088 11.792 1.00 1.00 H new ATOM 376 N GLU A 28 3.610 18.203 9.870 1.00 1.00 N ATOM 377 CA GLU A 28 3.064 19.458 10.360 1.00 1.00 C ATOM 378 C GLU A 28 2.173 19.206 11.569 1.00 1.00 C ATOM 379 O GLU A 28 1.862 20.125 12.326 1.00 1.00 O ATOM 380 CB GLU A 28 2.265 20.147 9.259 1.00 1.00 C ATOM 381 CG GLU A 28 1.844 21.552 9.681 1.00 1.00 C ATOM 382 CD GLU A 28 3.071 22.424 9.912 1.00 1.00 C ATOM 383 OE1 GLU A 28 3.870 22.592 8.966 1.00 1.00 O ATOM 384 OE2 GLU A 28 3.232 22.937 11.039 1.00 1.00 O ATOM 0 H GLU A 28 3.029 17.736 9.174 1.00 1.00 H new ATOM 0 HA GLU A 28 3.888 20.106 10.658 1.00 1.00 H new ATOM 0 HB2 GLU A 28 2.865 20.201 8.350 1.00 1.00 H new ATOM 0 HB3 GLU A 28 1.381 19.555 9.022 1.00 1.00 H new ATOM 0 HG2 GLU A 28 1.213 21.997 8.911 1.00 1.00 H new ATOM 0 HG3 GLU A 28 1.248 21.502 10.592 1.00 1.00 H new ATOM 391 N ASN A 29 1.763 17.952 11.744 1.00 1.00 N ATOM 392 CA ASN A 29 0.906 17.574 12.860 1.00 1.00 C ATOM 393 C ASN A 29 1.670 17.683 14.172 1.00 1.00 C ATOM 394 O ASN A 29 1.075 17.692 15.251 1.00 1.00 O ATOM 395 CB ASN A 29 0.401 16.148 12.666 1.00 1.00 C ATOM 396 CG ASN A 29 -0.929 15.955 13.383 1.00 1.00 C ATOM 397 OD1 ASN A 29 -1.809 16.813 13.320 1.00 1.00 O ATOM 398 ND2 ASN A 29 -1.078 14.825 14.065 1.00 1.00 N ATOM 0 H ASN A 29 2.012 17.181 11.125 1.00 1.00 H new ATOM 0 HA ASN A 29 0.053 18.252 12.895 1.00 1.00 H new ATOM 0 HB2 ASN A 29 0.282 15.939 11.603 1.00 1.00 H new ATOM 0 HB3 ASN A 29 1.135 15.440 13.050 1.00 1.00 H new ATOM 0 HD21 ASN A 29 -1.949 14.641 14.564 1.00 1.00 H new ATOM 0 HD22 ASN A 29 -0.322 14.141 14.090 1.00 1.00 H new ATOM 405 N GLY A 30 2.992 17.767 14.074 1.00 1.00 N ATOM 406 CA GLY A 30 3.841 17.879 15.250 1.00 1.00 C ATOM 407 C GLY A 30 4.430 16.526 15.623 1.00 1.00 C ATOM 408 O GLY A 30 4.898 16.328 16.745 1.00 1.00 O ATOM 0 H GLY A 30 3.498 17.759 13.189 1.00 1.00 H new ATOM 0 HA2 GLY A 30 4.645 18.590 15.057 1.00 1.00 H new ATOM 0 HA3 GLY A 30 3.262 18.271 16.086 1.00 1.00 H new ATOM 412 N ASN A 31 4.409 15.597 14.673 1.00 1.00 N ATOM 413 CA ASN A 31 4.945 14.259 14.897 1.00 1.00 C ATOM 414 C ASN A 31 6.060 13.977 13.904 1.00 1.00 C ATOM 415 O ASN A 31 6.470 14.862 13.157 1.00 1.00 O ATOM 416 CB ASN A 31 3.837 13.221 14.745 1.00 1.00 C ATOM 417 CG ASN A 31 3.274 12.843 16.109 1.00 1.00 C ATOM 418 OD1 ASN A 31 3.618 13.450 17.123 1.00 1.00 O ATOM 419 ND2 ASN A 31 2.406 11.839 16.134 1.00 1.00 N ATOM 0 H ASN A 31 4.026 15.746 13.739 1.00 1.00 H new ATOM 0 HA ASN A 31 5.346 14.202 15.909 1.00 1.00 H new ATOM 0 HB2 ASN A 31 3.042 13.618 14.114 1.00 1.00 H new ATOM 0 HB3 ASN A 31 4.227 12.334 14.247 1.00 1.00 H new ATOM 0 HD21 ASN A 31 1.995 11.542 17.019 1.00 1.00 H new ATOM 0 HD22 ASN A 31 2.150 11.365 15.268 1.00 1.00 H new ATOM 426 N THR A 32 6.548 12.743 13.893 1.00 1.00 N ATOM 427 CA THR A 32 7.614 12.356 12.976 1.00 1.00 C ATOM 428 C THR A 32 7.378 10.943 12.451 1.00 1.00 C ATOM 429 O THR A 32 7.110 10.022 13.221 1.00 1.00 O ATOM 430 CB THR A 32 8.973 12.454 13.674 1.00 1.00 C ATOM 431 OG1 THR A 32 9.990 12.703 12.716 1.00 1.00 O ATOM 432 CG2 THR A 32 9.293 11.181 14.452 1.00 1.00 C ATOM 0 H THR A 32 6.224 11.995 14.506 1.00 1.00 H new ATOM 0 HA THR A 32 7.612 13.040 12.127 1.00 1.00 H new ATOM 0 HB THR A 32 8.929 13.280 14.384 1.00 1.00 H new ATOM 0 HG1 THR A 32 9.611 12.643 11.814 1.00 1.00 H new ATOM 0 HG21 THR A 32 10.265 11.284 14.935 1.00 1.00 H new ATOM 0 HG22 THR A 32 8.527 11.015 15.209 1.00 1.00 H new ATOM 0 HG23 THR A 32 9.316 10.333 13.768 1.00 1.00 H new ATOM 440 N VAL A 33 7.486 10.778 11.136 1.00 1.00 N ATOM 441 CA VAL A 33 7.292 9.477 10.507 1.00 1.00 C ATOM 442 C VAL A 33 8.540 9.096 9.728 1.00 1.00 C ATOM 443 O VAL A 33 9.495 9.862 9.665 1.00 1.00 O ATOM 444 CB VAL A 33 6.089 9.514 9.567 1.00 1.00 C ATOM 445 CG1 VAL A 33 5.424 8.145 9.491 1.00 1.00 C ATOM 446 CG2 VAL A 33 5.082 10.571 10.019 1.00 1.00 C ATOM 0 H VAL A 33 7.707 11.531 10.485 1.00 1.00 H new ATOM 0 HA VAL A 33 7.106 8.735 11.284 1.00 1.00 H new ATOM 0 HB VAL A 33 6.444 9.781 8.572 1.00 1.00 H new ATOM 0 HG11 VAL A 33 4.569 8.193 8.816 1.00 1.00 H new ATOM 0 HG12 VAL A 33 6.140 7.413 9.118 1.00 1.00 H new ATOM 0 HG13 VAL A 33 5.086 7.849 10.484 1.00 1.00 H new ATOM 0 HG21 VAL A 33 4.233 10.580 9.335 1.00 1.00 H new ATOM 0 HG22 VAL A 33 4.735 10.336 11.025 1.00 1.00 H new ATOM 0 HG23 VAL A 33 5.559 11.551 10.019 1.00 1.00 H new ATOM 456 N LYS A 34 8.529 7.914 9.130 1.00 1.00 N ATOM 457 CA LYS A 34 9.670 7.449 8.352 1.00 1.00 C ATOM 458 C LYS A 34 9.305 7.373 6.876 1.00 1.00 C ATOM 459 O LYS A 34 8.279 6.801 6.512 1.00 1.00 O ATOM 460 CB LYS A 34 10.116 6.079 8.848 1.00 1.00 C ATOM 461 CG LYS A 34 11.233 6.209 9.875 1.00 1.00 C ATOM 462 CD LYS A 34 11.464 4.893 10.611 1.00 1.00 C ATOM 463 CE LYS A 34 12.126 3.864 9.701 1.00 1.00 C ATOM 464 NZ LYS A 34 11.109 3.023 9.009 1.00 1.00 N ATOM 0 H LYS A 34 7.746 7.261 9.167 1.00 1.00 H new ATOM 0 HA LYS A 34 10.490 8.156 8.476 1.00 1.00 H new ATOM 0 HB2 LYS A 34 9.269 5.555 9.291 1.00 1.00 H new ATOM 0 HB3 LYS A 34 10.459 5.477 8.006 1.00 1.00 H new ATOM 0 HG2 LYS A 34 12.153 6.517 9.378 1.00 1.00 H new ATOM 0 HG3 LYS A 34 10.982 6.990 10.592 1.00 1.00 H new ATOM 0 HD2 LYS A 34 12.091 5.067 11.485 1.00 1.00 H new ATOM 0 HD3 LYS A 34 10.513 4.504 10.974 1.00 1.00 H new ATOM 0 HE2 LYS A 34 12.745 4.373 8.962 1.00 1.00 H new ATOM 0 HE3 LYS A 34 12.789 3.228 10.288 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 11.429 2.817 8.041 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 10.984 2.131 9.529 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 10.203 3.533 8.973 1.00 1.00 H new ATOM 478 N ARG A 35 10.150 7.952 6.030 1.00 1.00 N ATOM 479 CA ARG A 35 9.920 7.947 4.591 1.00 1.00 C ATOM 480 C ARG A 35 11.075 7.252 3.882 1.00 1.00 C ATOM 481 O ARG A 35 11.916 6.622 4.522 1.00 1.00 O ATOM 482 CB ARG A 35 9.775 9.378 4.079 1.00 1.00 C ATOM 483 CG ARG A 35 8.604 10.089 4.749 1.00 1.00 C ATOM 484 CD ARG A 35 8.858 11.590 4.859 1.00 1.00 C ATOM 485 NE ARG A 35 7.688 12.261 5.407 1.00 1.00 N ATOM 486 CZ ARG A 35 7.376 12.181 6.697 1.00 1.00 C ATOM 487 NH1 ARG A 35 8.149 11.491 7.525 1.00 1.00 N ATOM 488 NH2 ARG A 35 6.293 12.790 7.159 1.00 1.00 N ATOM 0 H ARG A 35 11.003 8.432 6.318 1.00 1.00 H new ATOM 0 HA ARG A 35 8.999 7.404 4.382 1.00 1.00 H new ATOM 0 HB2 ARG A 35 10.696 9.930 4.269 1.00 1.00 H new ATOM 0 HB3 ARG A 35 9.627 9.367 2.999 1.00 1.00 H new ATOM 0 HG2 ARG A 35 7.693 9.913 4.177 1.00 1.00 H new ATOM 0 HG3 ARG A 35 8.442 9.671 5.743 1.00 1.00 H new ATOM 0 HD2 ARG A 35 9.723 11.774 5.496 1.00 1.00 H new ATOM 0 HD3 ARG A 35 9.093 11.999 3.876 1.00 1.00 H new ATOM 0 HE ARG A 35 7.092 12.807 4.785 1.00 1.00 H new ATOM 0 HH11 ARG A 35 8.983 11.022 7.172 1.00 1.00 H new ATOM 0 HH12 ARG A 35 7.909 11.430 8.515 1.00 1.00 H new ATOM 0 HH21 ARG A 35 5.697 13.321 6.524 1.00 1.00 H new ATOM 0 HH22 ARG A 35 6.056 12.727 8.149 1.00 1.00 H new ATOM 502 N CYS A 36 11.113 7.367 2.561 1.00 1.00 N ATOM 503 CA CYS A 36 12.169 6.744 1.773 1.00 1.00 C ATOM 504 C CYS A 36 13.112 7.801 1.211 1.00 1.00 C ATOM 505 O CYS A 36 12.687 8.895 0.840 1.00 1.00 O ATOM 506 CB CYS A 36 11.562 5.926 0.640 1.00 1.00 C ATOM 507 SG CYS A 36 12.607 4.534 0.180 1.00 1.00 S ATOM 0 H CYS A 36 10.426 7.885 2.013 1.00 1.00 H new ATOM 0 HA CYS A 36 12.741 6.081 2.422 1.00 1.00 H new ATOM 0 HB2 CYS A 36 10.581 5.559 0.943 1.00 1.00 H new ATOM 0 HB3 CYS A 36 11.408 6.567 -0.228 1.00 1.00 H new ATOM 512 N ASP A 37 14.393 7.461 1.157 1.00 1.00 N ATOM 513 CA ASP A 37 15.414 8.369 0.647 1.00 1.00 C ATOM 514 C ASP A 37 15.337 8.457 -0.872 1.00 1.00 C ATOM 515 O ASP A 37 15.299 7.396 -1.529 1.00 0.00 O ATOM 516 CB ASP A 37 16.796 7.879 1.074 1.00 1.00 C ATOM 517 CG ASP A 37 17.181 8.492 2.413 1.00 1.00 C ATOM 518 OD1 ASP A 37 17.165 9.736 2.525 1.00 1.00 O ATOM 519 OD2 ASP A 37 17.495 7.728 3.349 1.00 1.00 O ATOM 520 OXT ASP A 37 15.314 9.587 -1.402 1.00 0.00 O ATOM 0 H ASP A 37 14.752 6.557 1.462 1.00 1.00 H new ATOM 0 HA ASP A 37 15.241 9.363 1.060 1.00 1.00 H new ATOM 0 HB2 ASP A 37 16.797 6.792 1.150 1.00 1.00 H new ATOM 0 HB3 ASP A 37 17.534 8.146 0.318 1.00 1.00 H new TER 525 ASP A 37