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+ -143:sc= -3.81! (180deg=-7.63!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 146:sc= -0.0416 USER MOD Single : A 9 GLN : amide:sc= -0.468 X(o=-0.47,f=-0.0014) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -4.17! C(o=-4.2!,f=-11!) USER MOD Single : A 16 ASN : amide:sc= -5.21! C(o=-5.2!,f=-5!) USER MOD Single : A 19 SER OG : rot -160:sc= -0.736 USER MOD Single : A 20 GLN : amide:sc= -0.126 K(o=-0.13,f=-1.4!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.547 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -4.85! C(o=-4.8!,f=-8.1!) USER MOD Single : A 29 ASN : amide:sc= -0.196 K(o=-0.2,f=-1.6!) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 1:sc= 0.347 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 9.462 -2.959 -9.758 1.00 1.00 N ATOM 2 CA SER A 1 9.886 -1.579 -9.391 1.00 1.00 C ATOM 3 C SER A 1 8.779 -0.878 -8.615 1.00 1.00 C ATOM 4 O SER A 1 9.033 -0.235 -7.595 1.00 1.00 O ATOM 5 CB SER A 1 10.230 -0.768 -10.636 1.00 1.00 C ATOM 6 OG SER A 1 11.629 -0.525 -10.696 1.00 1.00 O ATOM 0 H1 SER A 1 10.277 -3.602 -9.692 1.00 1.00 H new ATOM 0 H2 SER A 1 8.716 -3.278 -9.107 1.00 1.00 H new ATOM 0 H3 SER A 1 9.096 -2.962 -10.732 1.00 1.00 H new ATOM 0 HA SER A 1 10.775 -1.653 -8.765 1.00 1.00 H new ATOM 0 HB2 SER A 1 9.909 -1.305 -11.528 1.00 1.00 H new ATOM 0 HB3 SER A 1 9.690 0.179 -10.622 1.00 1.00 H new ATOM 0 HG SER A 1 11.837 -0.005 -11.500 1.00 1.00 H new ATOM 14 N PRO A 2 7.532 -0.991 -9.096 1.00 1.00 N ATOM 15 CA PRO A 2 6.369 -0.368 -8.456 1.00 1.00 C ATOM 16 C PRO A 2 5.819 -1.209 -7.308 1.00 1.00 C ATOM 17 O PRO A 2 4.630 -1.523 -7.271 1.00 1.00 O ATOM 18 CB PRO A 2 5.351 -0.265 -9.584 1.00 1.00 C ATOM 19 CG PRO A 2 5.716 -1.338 -10.563 1.00 1.00 C ATOM 20 CD PRO A 2 7.154 -1.731 -10.307 1.00 1.00 C ATOM 0 HA PRO A 2 6.619 0.593 -8.007 1.00 1.00 H new ATOM 0 HB2 PRO A 2 4.337 -0.406 -9.210 1.00 1.00 H new ATOM 0 HB3 PRO A 2 5.384 0.719 -10.052 1.00 1.00 H new ATOM 0 HG2 PRO A 2 5.059 -2.200 -10.447 1.00 1.00 H new ATOM 0 HG3 PRO A 2 5.595 -0.979 -11.585 1.00 1.00 H new ATOM 0 HD2 PRO A 2 7.251 -2.807 -10.160 1.00 1.00 H new ATOM 0 HD3 PRO A 2 7.793 -1.466 -11.149 1.00 1.00 H new ATOM 28 N THR A 3 6.692 -1.567 -6.372 1.00 1.00 N ATOM 29 CA THR A 3 6.295 -2.370 -5.220 1.00 1.00 C ATOM 30 C THR A 3 6.886 -1.784 -3.944 1.00 1.00 C ATOM 31 O THR A 3 6.185 -1.595 -2.950 1.00 1.00 O ATOM 32 CB THR A 3 6.755 -3.817 -5.407 1.00 1.00 C ATOM 33 OG1 THR A 3 5.914 -4.691 -4.672 1.00 1.00 O ATOM 34 CG2 THR A 3 8.208 -4.000 -4.970 1.00 1.00 C ATOM 0 H THR A 3 7.680 -1.314 -6.388 1.00 1.00 H new ATOM 0 HA THR A 3 5.208 -2.358 -5.136 1.00 1.00 H new ATOM 0 HB THR A 3 6.690 -4.057 -6.468 1.00 1.00 H new ATOM 0 HG1 THR A 3 6.213 -5.616 -4.798 1.00 1.00 H new ATOM 0 HG21 THR A 3 8.504 -5.039 -5.116 1.00 1.00 H new ATOM 0 HG22 THR A 3 8.851 -3.353 -5.566 1.00 1.00 H new ATOM 0 HG23 THR A 3 8.307 -3.739 -3.916 1.00 1.00 H new ATOM 42 N CYS A 4 8.181 -1.496 -3.983 1.00 1.00 N ATOM 43 CA CYS A 4 8.877 -0.926 -2.838 1.00 1.00 C ATOM 44 C CYS A 4 8.435 0.514 -2.614 1.00 1.00 C ATOM 45 O CYS A 4 7.744 1.096 -3.450 1.00 1.00 O ATOM 46 CB CYS A 4 10.383 -0.978 -3.074 1.00 1.00 C ATOM 47 SG CYS A 4 10.864 -0.193 -4.621 1.00 1.00 S ATOM 0 H CYS A 4 8.772 -1.649 -4.800 1.00 1.00 H new ATOM 0 HA CYS A 4 8.632 -1.508 -1.950 1.00 1.00 H new ATOM 0 HB2 CYS A 4 10.895 -0.487 -2.246 1.00 1.00 H new ATOM 0 HB3 CYS A 4 10.711 -2.017 -3.080 1.00 1.00 H new ATOM 52 N ILE A 5 8.837 1.084 -1.484 1.00 1.00 N ATOM 53 CA ILE A 5 8.477 2.461 -1.154 1.00 1.00 C ATOM 54 C ILE A 5 9.506 3.425 -1.721 1.00 1.00 C ATOM 55 O ILE A 5 10.622 3.518 -1.220 1.00 1.00 O ATOM 56 CB ILE A 5 8.397 2.625 0.355 1.00 1.00 C ATOM 57 CG1 ILE A 5 7.406 1.626 0.943 1.00 1.00 C ATOM 58 CG2 ILE A 5 7.998 4.050 0.724 1.00 1.00 C ATOM 59 CD1 ILE A 5 8.117 0.595 1.811 1.00 1.00 C ATOM 0 H ILE A 5 9.411 0.617 -0.782 1.00 1.00 H new ATOM 0 HA ILE A 5 7.505 2.685 -1.594 1.00 1.00 H new ATOM 0 HB ILE A 5 9.384 2.428 0.775 1.00 1.00 H new ATOM 0 HG12 ILE A 5 6.661 2.155 1.537 1.00 1.00 H new ATOM 0 HG13 ILE A 5 6.872 1.122 0.138 1.00 1.00 H new ATOM 0 HG21 ILE A 5 7.947 4.144 1.809 1.00 1.00 H new ATOM 0 HG22 ILE A 5 8.739 4.748 0.334 1.00 1.00 H new ATOM 0 HG23 ILE A 5 7.023 4.278 0.294 1.00 1.00 H new ATOM 0 HD11 ILE A 5 7.386 -0.105 2.217 1.00 1.00 H new ATOM 0 HD12 ILE A 5 8.844 0.051 1.208 1.00 1.00 H new ATOM 0 HD13 ILE A 5 8.630 1.100 2.630 1.00 1.00 H new ATOM 71 N PRO A 6 9.138 4.164 -2.772 1.00 1.00 N ATOM 72 CA PRO A 6 10.039 5.133 -3.412 1.00 1.00 C ATOM 73 C PRO A 6 10.278 6.362 -2.543 1.00 1.00 C ATOM 74 O PRO A 6 9.511 6.643 -1.626 1.00 1.00 O ATOM 75 CB PRO A 6 9.326 5.499 -4.707 1.00 1.00 C ATOM 76 CG PRO A 6 7.880 5.218 -4.459 1.00 1.00 C ATOM 77 CD PRO A 6 7.817 4.127 -3.414 1.00 1.00 C ATOM 0 HA PRO A 6 11.032 4.717 -3.579 1.00 1.00 H new ATOM 0 HB2 PRO A 6 9.484 6.547 -4.960 1.00 1.00 H new ATOM 0 HB3 PRO A 6 9.703 4.909 -5.543 1.00 1.00 H new ATOM 0 HG2 PRO A 6 7.366 6.115 -4.112 1.00 1.00 H new ATOM 0 HG3 PRO A 6 7.385 4.902 -5.377 1.00 1.00 H new ATOM 0 HD2 PRO A 6 7.019 4.311 -2.694 1.00 1.00 H new ATOM 0 HD3 PRO A 6 7.621 3.154 -3.865 1.00 1.00 H new ATOM 85 N SER A 7 11.356 7.081 -2.838 1.00 1.00 N ATOM 86 CA SER A 7 11.718 8.279 -2.085 1.00 1.00 C ATOM 87 C SER A 7 10.535 9.235 -1.980 1.00 1.00 C ATOM 88 O SER A 7 9.941 9.618 -2.987 1.00 1.00 O ATOM 89 CB SER A 7 12.890 8.982 -2.760 1.00 1.00 C ATOM 90 OG SER A 7 13.327 10.081 -1.972 1.00 1.00 O ATOM 0 H SER A 7 11.998 6.854 -3.597 1.00 1.00 H new ATOM 0 HA SER A 7 12.006 7.976 -1.079 1.00 1.00 H new ATOM 0 HB2 SER A 7 13.711 8.279 -2.903 1.00 1.00 H new ATOM 0 HB3 SER A 7 12.593 9.330 -3.749 1.00 1.00 H new ATOM 0 HG SER A 7 14.297 10.184 -2.064 1.00 1.00 H new ATOM 96 N GLY A 8 10.209 9.628 -0.751 1.00 1.00 N ATOM 97 CA GLY A 8 9.107 10.554 -0.507 1.00 1.00 C ATOM 98 C GLY A 8 7.934 9.858 0.172 1.00 1.00 C ATOM 99 O GLY A 8 7.166 10.487 0.903 1.00 1.00 O ATOM 0 H GLY A 8 10.693 9.319 0.092 1.00 1.00 H new ATOM 0 HA2 GLY A 8 9.454 11.378 0.117 1.00 1.00 H new ATOM 0 HA3 GLY A 8 8.778 10.987 -1.452 1.00 1.00 H new ATOM 103 N GLN A 9 7.794 8.562 -0.072 1.00 1.00 N ATOM 104 CA GLN A 9 6.709 7.783 0.516 1.00 1.00 C ATOM 105 C GLN A 9 7.139 7.209 1.860 1.00 1.00 C ATOM 106 O GLN A 9 8.329 7.114 2.151 1.00 1.00 O ATOM 107 CB GLN A 9 6.304 6.656 -0.430 1.00 1.00 C ATOM 108 CG GLN A 9 4.872 6.838 -0.923 1.00 1.00 C ATOM 109 CD GLN A 9 4.857 7.029 -2.435 1.00 1.00 C ATOM 110 OE1 GLN A 9 4.716 8.148 -2.927 1.00 1.00 O ATOM 111 NE2 GLN A 9 5.002 5.934 -3.172 1.00 1.00 N ATOM 0 H GLN A 9 8.419 8.026 -0.674 1.00 1.00 H new ATOM 0 HA GLN A 9 5.852 8.438 0.674 1.00 1.00 H new ATOM 0 HB2 GLN A 9 6.984 6.630 -1.281 1.00 1.00 H new ATOM 0 HB3 GLN A 9 6.397 5.698 0.081 1.00 1.00 H new ATOM 0 HG2 GLN A 9 4.273 5.968 -0.653 1.00 1.00 H new ATOM 0 HG3 GLN A 9 4.419 7.701 -0.435 1.00 1.00 H new ATOM 0 HE21 GLN A 9 5.116 5.027 -2.720 1.00 1.00 H new ATOM 0 HE22 GLN A 9 4.999 6.000 -4.190 1.00 1.00 H new ATOM 120 N PRO A 10 6.167 6.825 2.701 1.00 1.00 N ATOM 121 CA PRO A 10 6.441 6.265 4.031 1.00 1.00 C ATOM 122 C PRO A 10 6.886 4.807 3.975 1.00 1.00 C ATOM 123 O PRO A 10 6.221 3.964 3.372 1.00 1.00 O ATOM 124 CB PRO A 10 5.112 6.397 4.762 1.00 1.00 C ATOM 125 CG PRO A 10 4.066 6.425 3.694 1.00 1.00 C ATOM 126 CD PRO A 10 4.726 6.917 2.426 1.00 1.00 C ATOM 0 HA PRO A 10 7.261 6.786 4.525 1.00 1.00 H new ATOM 0 HB2 PRO A 10 4.955 5.561 5.443 1.00 1.00 H new ATOM 0 HB3 PRO A 10 5.084 7.306 5.362 1.00 1.00 H new ATOM 0 HG2 PRO A 10 3.643 5.432 3.546 1.00 1.00 H new ATOM 0 HG3 PRO A 10 3.244 7.082 3.979 1.00 1.00 H new ATOM 0 HD2 PRO A 10 4.446 6.304 1.569 1.00 1.00 H new ATOM 0 HD3 PRO A 10 4.430 7.941 2.196 1.00 1.00 H new ATOM 134 N CYS A 11 8.014 4.519 4.618 1.00 1.00 N ATOM 135 CA CYS A 11 8.562 3.166 4.658 1.00 1.00 C ATOM 136 C CYS A 11 8.611 2.661 6.095 1.00 1.00 C ATOM 137 O CYS A 11 8.916 3.417 7.018 1.00 1.00 O ATOM 138 CB CYS A 11 9.968 3.158 4.063 1.00 1.00 C ATOM 139 SG CYS A 11 11.162 4.013 5.110 1.00 1.00 S ATOM 0 H CYS A 11 8.570 5.210 5.122 1.00 1.00 H new ATOM 0 HA CYS A 11 7.919 2.509 4.073 1.00 1.00 H new ATOM 0 HB2 CYS A 11 10.291 2.128 3.915 1.00 1.00 H new ATOM 0 HB3 CYS A 11 9.947 3.630 3.081 1.00 1.00 H new ATOM 144 N PRO A 12 8.313 1.369 6.302 1.00 1.00 N ATOM 145 CA PRO A 12 8.327 0.756 7.637 1.00 1.00 C ATOM 146 C PRO A 12 9.747 0.470 8.115 1.00 1.00 C ATOM 147 O PRO A 12 10.114 0.806 9.241 1.00 1.00 O ATOM 148 CB PRO A 12 7.545 -0.537 7.456 1.00 1.00 C ATOM 149 CG PRO A 12 7.668 -0.881 6.007 1.00 1.00 C ATOM 150 CD PRO A 12 7.943 0.403 5.257 1.00 1.00 C ATOM 0 HA PRO A 12 7.896 1.412 8.393 1.00 1.00 H new ATOM 0 HB2 PRO A 12 7.950 -1.331 8.083 1.00 1.00 H new ATOM 0 HB3 PRO A 12 6.501 -0.407 7.741 1.00 1.00 H new ATOM 0 HG2 PRO A 12 8.475 -1.597 5.850 1.00 1.00 H new ATOM 0 HG3 PRO A 12 6.752 -1.348 5.645 1.00 1.00 H new ATOM 0 HD2 PRO A 12 8.747 0.275 4.533 1.00 1.00 H new ATOM 0 HD3 PRO A 12 7.065 0.735 4.703 1.00 1.00 H new ATOM 158 N TYR A 13 10.543 -0.146 7.247 1.00 1.00 N ATOM 159 CA TYR A 13 11.927 -0.473 7.573 1.00 1.00 C ATOM 160 C TYR A 13 12.844 -0.041 6.440 1.00 1.00 C ATOM 161 O TYR A 13 12.392 0.194 5.320 1.00 1.00 O ATOM 162 CB TYR A 13 12.079 -1.973 7.800 1.00 1.00 C ATOM 163 CG TYR A 13 10.825 -2.625 8.324 1.00 1.00 C ATOM 164 CD1 TYR A 13 10.598 -2.697 9.688 1.00 1.00 C ATOM 165 CD2 TYR A 13 9.903 -3.159 7.442 1.00 1.00 C ATOM 166 CE1 TYR A 13 9.448 -3.301 10.166 1.00 1.00 C ATOM 167 CE2 TYR A 13 8.754 -3.763 7.922 1.00 1.00 C ATOM 168 CZ TYR A 13 8.532 -3.831 9.281 1.00 1.00 C ATOM 169 OH TYR A 13 7.391 -4.432 9.758 1.00 1.00 O ATOM 0 H TYR A 13 10.253 -0.429 6.311 1.00 1.00 H new ATOM 0 HA TYR A 13 12.201 0.056 8.486 1.00 1.00 H new ATOM 0 HB2 TYR A 13 12.363 -2.449 6.861 1.00 1.00 H new ATOM 0 HB3 TYR A 13 12.892 -2.147 8.504 1.00 1.00 H new ATOM 0 HD1 TYR A 13 11.318 -2.282 10.378 1.00 1.00 H new ATOM 0 HD2 TYR A 13 10.080 -3.105 6.378 1.00 1.00 H new ATOM 0 HE1 TYR A 13 9.268 -3.357 11.229 1.00 1.00 H new ATOM 0 HE2 TYR A 13 8.033 -4.180 7.234 1.00 1.00 H new ATOM 0 HH TYR A 13 6.851 -4.752 9.006 1.00 1.00 H new ATOM 179 N ASN A 14 14.137 0.050 6.732 1.00 1.00 N ATOM 180 CA ASN A 14 15.120 0.443 5.733 1.00 1.00 C ATOM 181 C ASN A 14 15.293 -0.661 4.693 1.00 1.00 C ATOM 182 O ASN A 14 16.018 -0.493 3.712 1.00 1.00 O ATOM 183 CB ASN A 14 16.455 0.734 6.412 1.00 1.00 C ATOM 184 CG ASN A 14 16.248 1.540 7.678 1.00 1.00 C ATOM 185 OD1 ASN A 14 15.117 1.800 8.091 1.00 1.00 O ATOM 186 ND2 ASN A 14 17.347 1.934 8.299 1.00 1.00 N ATOM 0 H ASN A 14 14.528 -0.144 7.654 1.00 1.00 H new ATOM 0 HA ASN A 14 14.769 1.343 5.228 1.00 1.00 H new ATOM 0 HB2 ASN A 14 16.959 -0.203 6.650 1.00 1.00 H new ATOM 0 HB3 ASN A 14 17.104 1.281 5.729 1.00 1.00 H new ATOM 0 HD21 ASN A 14 17.280 2.478 9.159 1.00 1.00 H new ATOM 0 HD22 ASN A 14 18.262 1.694 7.918 1.00 1.00 H new ATOM 193 N GLU A 15 14.626 -1.793 4.914 1.00 1.00 N ATOM 194 CA GLU A 15 14.707 -2.928 4.002 1.00 1.00 C ATOM 195 C GLU A 15 13.540 -2.919 3.019 1.00 1.00 C ATOM 196 O GLU A 15 13.532 -3.677 2.049 1.00 1.00 O ATOM 197 CB GLU A 15 14.695 -4.229 4.799 1.00 1.00 C ATOM 198 CG GLU A 15 15.816 -5.162 4.354 1.00 1.00 C ATOM 199 CD GLU A 15 15.409 -6.613 4.572 1.00 1.00 C ATOM 200 OE1 GLU A 15 14.689 -6.888 5.555 1.00 1.00 O ATOM 201 OE2 GLU A 15 15.810 -7.471 3.758 1.00 1.00 O ATOM 0 H GLU A 15 14.022 -1.947 5.721 1.00 1.00 H new ATOM 0 HA GLU A 15 15.636 -2.851 3.437 1.00 1.00 H new ATOM 0 HB2 GLU A 15 14.803 -4.008 5.861 1.00 1.00 H new ATOM 0 HB3 GLU A 15 13.733 -4.726 4.673 1.00 1.00 H new ATOM 0 HG2 GLU A 15 16.042 -4.994 3.301 1.00 1.00 H new ATOM 0 HG3 GLU A 15 16.725 -4.943 4.914 1.00 1.00 H new ATOM 208 N ASN A 16 12.555 -2.064 3.273 1.00 1.00 N ATOM 209 CA ASN A 16 11.383 -1.970 2.406 1.00 1.00 C ATOM 210 C ASN A 16 11.497 -0.772 1.469 1.00 1.00 C ATOM 211 O ASN A 16 10.659 -0.582 0.584 1.00 1.00 O ATOM 212 CB ASN A 16 10.117 -1.854 3.249 1.00 1.00 C ATOM 213 CG ASN A 16 8.936 -2.477 2.515 1.00 1.00 C ATOM 214 OD1 ASN A 16 9.113 -3.333 1.647 1.00 1.00 O ATOM 215 ND2 ASN A 16 7.729 -2.048 2.864 1.00 1.00 N ATOM 0 H ASN A 16 12.543 -1.427 4.070 1.00 1.00 H new ATOM 0 HA ASN A 16 11.330 -2.876 1.802 1.00 1.00 H new ATOM 0 HB2 ASN A 16 10.263 -2.353 4.207 1.00 1.00 H new ATOM 0 HB3 ASN A 16 9.909 -0.806 3.463 1.00 1.00 H new ATOM 0 HD21 ASN A 16 6.900 -2.429 2.407 1.00 1.00 H new ATOM 0 HD22 ASN A 16 7.630 -1.337 3.589 1.00 1.00 H new ATOM 222 N CYS A 17 12.534 0.037 1.665 1.00 1.00 N ATOM 223 CA CYS A 17 12.751 1.214 0.831 1.00 1.00 C ATOM 224 C CYS A 17 13.236 0.800 -0.549 1.00 1.00 C ATOM 225 O CYS A 17 13.998 -0.158 -0.688 1.00 1.00 O ATOM 226 CB CYS A 17 13.778 2.138 1.478 1.00 1.00 C ATOM 227 SG CYS A 17 13.057 3.708 1.988 1.00 1.00 S ATOM 0 H CYS A 17 13.236 -0.101 2.392 1.00 1.00 H new ATOM 0 HA CYS A 17 11.804 1.745 0.732 1.00 1.00 H new ATOM 0 HB2 CYS A 17 14.215 1.642 2.345 1.00 1.00 H new ATOM 0 HB3 CYS A 17 14.590 2.325 0.775 1.00 1.00 H new ATOM 232 N CYS A 18 12.804 1.532 -1.567 1.00 1.00 N ATOM 233 CA CYS A 18 13.208 1.249 -2.936 1.00 1.00 C ATOM 234 C CYS A 18 14.720 1.376 -3.043 1.00 1.00 C ATOM 235 O CYS A 18 15.373 0.621 -3.763 1.00 1.00 O ATOM 236 CB CYS A 18 12.527 2.224 -3.891 1.00 1.00 C ATOM 237 SG CYS A 18 10.809 1.785 -4.212 1.00 1.00 S ATOM 0 H CYS A 18 12.173 2.327 -1.469 1.00 1.00 H new ATOM 0 HA CYS A 18 12.910 0.236 -3.206 1.00 1.00 H new ATOM 0 HB2 CYS A 18 12.570 3.229 -3.471 1.00 1.00 H new ATOM 0 HB3 CYS A 18 13.075 2.248 -4.833 1.00 1.00 H new ATOM 242 N SER A 19 15.264 2.336 -2.304 1.00 1.00 N ATOM 243 CA SER A 19 16.698 2.580 -2.281 1.00 1.00 C ATOM 244 C SER A 19 17.346 1.823 -1.127 1.00 1.00 C ATOM 245 O SER A 19 18.569 1.817 -0.986 1.00 1.00 O ATOM 246 CB SER A 19 16.969 4.071 -2.126 1.00 1.00 C ATOM 247 OG SER A 19 17.226 4.383 -0.763 1.00 1.00 O ATOM 0 H SER A 19 14.725 2.963 -1.707 1.00 1.00 H new ATOM 0 HA SER A 19 17.125 2.229 -3.221 1.00 1.00 H new ATOM 0 HB2 SER A 19 17.822 4.359 -2.740 1.00 1.00 H new ATOM 0 HB3 SER A 19 16.112 4.643 -2.483 1.00 1.00 H new ATOM 0 HG SER A 19 17.085 5.341 -0.615 1.00 1.00 H new ATOM 253 N GLN A 20 16.517 1.189 -0.298 1.00 1.00 N ATOM 254 CA GLN A 20 17.000 0.430 0.850 1.00 1.00 C ATOM 255 C GLN A 20 17.391 1.363 1.990 1.00 1.00 C ATOM 256 O GLN A 20 17.844 0.911 3.042 1.00 1.00 O ATOM 257 CB GLN A 20 18.192 -0.432 0.446 1.00 1.00 C ATOM 258 CG GLN A 20 17.872 -1.917 0.587 1.00 1.00 C ATOM 259 CD GLN A 20 17.196 -2.431 -0.678 1.00 1.00 C ATOM 260 OE1 GLN A 20 17.531 -2.014 -1.786 1.00 1.00 O ATOM 261 NE2 GLN A 20 16.240 -3.338 -0.512 1.00 1.00 N ATOM 0 H GLN A 20 15.502 1.188 -0.403 1.00 1.00 H new ATOM 0 HA GLN A 20 16.194 -0.217 1.197 1.00 1.00 H new ATOM 0 HB2 GLN A 20 18.469 -0.213 -0.585 1.00 1.00 H new ATOM 0 HB3 GLN A 20 19.052 -0.182 1.067 1.00 1.00 H new ATOM 0 HG2 GLN A 20 18.788 -2.478 0.772 1.00 1.00 H new ATOM 0 HG3 GLN A 20 17.221 -2.076 1.447 1.00 1.00 H new ATOM 0 HE21 GLN A 20 15.995 -3.655 0.426 1.00 1.00 H new ATOM 0 HE22 GLN A 20 15.751 -3.718 -1.323 1.00 1.00 H new ATOM 270 N SER A 21 17.215 2.666 1.783 1.00 1.00 N ATOM 271 CA SER A 21 17.556 3.651 2.800 1.00 1.00 C ATOM 272 C SER A 21 16.301 4.345 3.323 1.00 1.00 C ATOM 273 O SER A 21 15.622 5.053 2.583 1.00 1.00 O ATOM 274 CB SER A 21 18.508 4.686 2.213 1.00 1.00 C ATOM 275 OG SER A 21 19.848 4.215 2.269 1.00 1.00 O ATOM 0 H SER A 21 16.839 3.061 0.921 1.00 1.00 H new ATOM 0 HA SER A 21 18.040 3.138 3.631 1.00 1.00 H new ATOM 0 HB2 SER A 21 18.233 4.898 1.180 1.00 1.00 H new ATOM 0 HB3 SER A 21 18.422 5.623 2.764 1.00 1.00 H new ATOM 0 HG SER A 21 20.448 4.889 1.887 1.00 1.00 H new ATOM 281 N CYS A 22 16.007 4.147 4.607 1.00 1.00 N ATOM 282 CA CYS A 22 14.840 4.764 5.233 1.00 1.00 C ATOM 283 C CYS A 22 15.293 5.878 6.171 1.00 1.00 C ATOM 284 O CYS A 22 16.349 5.782 6.796 1.00 1.00 O ATOM 285 CB CYS A 22 14.046 3.721 6.014 1.00 1.00 C ATOM 286 SG CYS A 22 12.825 2.871 4.995 1.00 1.00 S ATOM 0 H CYS A 22 16.561 3.564 5.234 1.00 1.00 H new ATOM 0 HA CYS A 22 14.200 5.182 4.456 1.00 1.00 H new ATOM 0 HB2 CYS A 22 14.734 2.989 6.437 1.00 1.00 H new ATOM 0 HB3 CYS A 22 13.542 4.205 6.850 1.00 1.00 H new ATOM 291 N THR A 23 14.495 6.936 6.264 1.00 1.00 N ATOM 292 CA THR A 23 14.822 8.069 7.125 1.00 1.00 C ATOM 293 C THR A 23 13.594 8.519 7.905 1.00 1.00 C ATOM 294 O THR A 23 12.501 7.992 7.714 1.00 1.00 O ATOM 295 CB THR A 23 15.356 9.220 6.275 1.00 1.00 C ATOM 296 OG1 THR A 23 15.234 10.446 6.979 1.00 1.00 O ATOM 297 CG2 THR A 23 14.606 9.306 4.948 1.00 1.00 C ATOM 0 H THR A 23 13.617 7.034 5.754 1.00 1.00 H new ATOM 0 HA THR A 23 15.587 7.762 7.838 1.00 1.00 H new ATOM 0 HB THR A 23 16.409 9.031 6.067 1.00 1.00 H new ATOM 0 HG1 THR A 23 15.581 11.177 6.426 1.00 1.00 H new ATOM 0 HG21 THR A 23 15.003 10.133 4.359 1.00 1.00 H new ATOM 0 HG22 THR A 23 14.733 8.374 4.397 1.00 1.00 H new ATOM 0 HG23 THR A 23 13.546 9.473 5.139 1.00 1.00 H new ATOM 305 N PHE A 24 13.782 9.495 8.789 1.00 1.00 N ATOM 306 CA PHE A 24 12.688 10.021 9.601 1.00 1.00 C ATOM 307 C PHE A 24 12.433 11.485 9.255 1.00 1.00 C ATOM 308 O PHE A 24 13.310 12.333 9.427 1.00 1.00 O ATOM 309 CB PHE A 24 13.037 9.898 11.081 1.00 1.00 C ATOM 310 CG PHE A 24 12.172 8.908 11.820 1.00 1.00 C ATOM 311 CD1 PHE A 24 10.856 9.222 12.116 1.00 1.00 C ATOM 312 CD2 PHE A 24 12.696 7.687 12.211 1.00 1.00 C ATOM 313 CE1 PHE A 24 10.064 8.316 12.801 1.00 1.00 C ATOM 314 CE2 PHE A 24 11.904 6.781 12.896 1.00 1.00 C ATOM 315 CZ PHE A 24 10.588 7.095 13.191 1.00 1.00 C ATOM 0 H PHE A 24 14.684 9.939 8.962 1.00 1.00 H new ATOM 0 HA PHE A 24 11.787 9.444 9.393 1.00 1.00 H new ATOM 0 HB2 PHE A 24 14.081 9.600 11.177 1.00 1.00 H new ATOM 0 HB3 PHE A 24 12.940 10.876 11.552 1.00 1.00 H new ATOM 0 HD1 PHE A 24 10.447 10.174 11.812 1.00 1.00 H new ATOM 0 HD2 PHE A 24 13.722 7.442 11.982 1.00 1.00 H new ATOM 0 HE1 PHE A 24 9.038 8.562 13.031 1.00 1.00 H new ATOM 0 HE2 PHE A 24 12.313 5.829 13.200 1.00 1.00 H new ATOM 0 HZ PHE A 24 9.971 6.388 13.725 1.00 1.00 H new ATOM 325 N LYS A 25 11.230 11.780 8.773 1.00 1.00 N ATOM 326 CA LYS A 25 10.861 13.144 8.411 1.00 1.00 C ATOM 327 C LYS A 25 9.779 13.658 9.353 1.00 1.00 C ATOM 328 O LYS A 25 9.008 12.876 9.905 1.00 1.00 O ATOM 329 CB LYS A 25 10.361 13.186 6.969 1.00 1.00 C ATOM 330 CG LYS A 25 10.837 14.449 6.256 1.00 1.00 C ATOM 331 CD LYS A 25 9.886 15.616 6.504 1.00 1.00 C ATOM 332 CE LYS A 25 9.636 16.407 5.223 1.00 1.00 C ATOM 333 NZ LYS A 25 10.743 17.367 4.955 1.00 1.00 N ATOM 0 H LYS A 25 10.493 11.091 8.624 1.00 1.00 H new ATOM 0 HA LYS A 25 11.740 13.783 8.499 1.00 1.00 H new ATOM 0 HB2 LYS A 25 10.717 12.306 6.432 1.00 1.00 H new ATOM 0 HB3 LYS A 25 9.272 13.148 6.958 1.00 1.00 H new ATOM 0 HG2 LYS A 25 11.836 14.711 6.604 1.00 1.00 H new ATOM 0 HG3 LYS A 25 10.912 14.259 5.185 1.00 1.00 H new ATOM 0 HD2 LYS A 25 8.940 15.241 6.893 1.00 1.00 H new ATOM 0 HD3 LYS A 25 10.305 16.274 7.265 1.00 1.00 H new ATOM 0 HE2 LYS A 25 9.536 15.720 4.383 1.00 1.00 H new ATOM 0 HE3 LYS A 25 8.694 16.949 5.306 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 10.545 17.890 4.078 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 10.821 18.036 5.747 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 11.637 16.846 4.853 1.00 1.00 H new ATOM 347 N GLU A 26 9.732 14.972 9.544 1.00 1.00 N ATOM 348 CA GLU A 26 8.749 15.576 10.430 1.00 1.00 C ATOM 349 C GLU A 26 7.521 16.030 9.650 1.00 1.00 C ATOM 350 O GLU A 26 7.633 16.574 8.553 1.00 1.00 O ATOM 351 CB GLU A 26 9.368 16.762 11.161 1.00 1.00 C ATOM 352 CG GLU A 26 8.716 16.969 12.525 1.00 1.00 C ATOM 353 CD GLU A 26 9.618 17.809 13.419 1.00 1.00 C ATOM 354 OE1 GLU A 26 9.739 19.026 13.167 1.00 1.00 O ATOM 355 OE2 GLU A 26 10.203 17.248 14.369 1.00 1.00 O ATOM 0 H GLU A 26 10.363 15.637 9.097 1.00 1.00 H new ATOM 0 HA GLU A 26 8.436 14.827 11.157 1.00 1.00 H new ATOM 0 HB2 GLU A 26 10.438 16.597 11.287 1.00 1.00 H new ATOM 0 HB3 GLU A 26 9.254 17.664 10.559 1.00 1.00 H new ATOM 0 HG2 GLU A 26 7.752 17.462 12.404 1.00 1.00 H new ATOM 0 HG3 GLU A 26 8.524 16.004 12.994 1.00 1.00 H new ATOM 362 N ASN A 27 6.347 15.803 10.232 1.00 1.00 N ATOM 363 CA ASN A 27 5.087 16.186 9.608 1.00 1.00 C ATOM 364 C ASN A 27 4.626 17.535 10.142 1.00 1.00 C ATOM 365 O ASN A 27 5.341 18.192 10.898 1.00 1.00 O ATOM 366 CB ASN A 27 4.004 15.136 9.881 1.00 1.00 C ATOM 367 CG ASN A 27 4.582 13.913 10.587 1.00 1.00 C ATOM 368 OD1 ASN A 27 5.603 13.368 10.169 1.00 1.00 O ATOM 369 ND2 ASN A 27 3.925 13.483 11.657 1.00 1.00 N ATOM 0 H ASN A 27 6.243 15.352 11.141 1.00 1.00 H new ATOM 0 HA ASN A 27 5.250 16.255 8.532 1.00 1.00 H new ATOM 0 HB2 ASN A 27 3.216 15.574 10.494 1.00 1.00 H new ATOM 0 HB3 ASN A 27 3.544 14.832 8.941 1.00 1.00 H new ATOM 0 HD21 ASN A 27 4.263 12.668 12.170 1.00 1.00 H new ATOM 0 HD22 ASN A 27 3.082 13.967 11.967 1.00 1.00 H new ATOM 376 N GLU A 28 3.423 17.938 9.749 1.00 1.00 N ATOM 377 CA GLU A 28 2.857 19.203 10.190 1.00 1.00 C ATOM 378 C GLU A 28 2.056 19.001 11.468 1.00 1.00 C ATOM 379 O GLU A 28 1.768 19.955 12.191 1.00 1.00 O ATOM 380 CB GLU A 28 1.962 19.786 9.100 1.00 1.00 C ATOM 381 CG GLU A 28 1.625 21.246 9.387 1.00 1.00 C ATOM 382 CD GLU A 28 2.843 22.127 9.145 1.00 1.00 C ATOM 383 OE1 GLU A 28 3.573 21.876 8.164 1.00 1.00 O ATOM 384 OE2 GLU A 28 3.066 23.066 9.939 1.00 1.00 O ATOM 0 H GLU A 28 2.821 17.403 9.123 1.00 1.00 H new ATOM 0 HA GLU A 28 3.670 19.901 10.390 1.00 1.00 H new ATOM 0 HB2 GLU A 28 2.462 19.708 8.135 1.00 1.00 H new ATOM 0 HB3 GLU A 28 1.043 19.204 9.031 1.00 1.00 H new ATOM 0 HG2 GLU A 28 0.802 21.568 8.749 1.00 1.00 H new ATOM 0 HG3 GLU A 28 1.290 21.353 10.419 1.00 1.00 H new ATOM 391 N ASN A 29 1.699 17.750 11.743 1.00 1.00 N ATOM 392 CA ASN A 29 0.932 17.415 12.936 1.00 1.00 C ATOM 393 C ASN A 29 1.785 17.605 14.183 1.00 1.00 C ATOM 394 O ASN A 29 1.271 17.630 15.301 1.00 1.00 O ATOM 395 CB ASN A 29 0.446 15.971 12.853 1.00 1.00 C ATOM 396 CG ASN A 29 -0.814 15.789 13.690 1.00 1.00 C ATOM 397 OD1 ASN A 29 -1.631 16.702 13.807 1.00 1.00 O ATOM 398 ND2 ASN A 29 -0.971 14.607 14.273 1.00 1.00 N ATOM 0 H ASN A 29 1.930 16.950 11.153 1.00 1.00 H new ATOM 0 HA ASN A 29 0.070 18.079 12.997 1.00 1.00 H new ATOM 0 HB2 ASN A 29 0.243 15.708 11.815 1.00 1.00 H new ATOM 0 HB3 ASN A 29 1.226 15.297 13.206 1.00 1.00 H new ATOM 0 HD21 ASN A 29 -1.795 14.426 14.846 1.00 1.00 H new ATOM 0 HD22 ASN A 29 -0.267 13.879 14.148 1.00 1.00 H new ATOM 405 N GLY A 30 3.092 17.740 13.983 1.00 1.00 N ATOM 406 CA GLY A 30 4.020 17.930 15.088 1.00 1.00 C ATOM 407 C GLY A 30 4.650 16.607 15.496 1.00 1.00 C ATOM 408 O GLY A 30 5.220 16.487 16.581 1.00 1.00 O ATOM 0 H GLY A 30 3.532 17.721 13.063 1.00 1.00 H new ATOM 0 HA2 GLY A 30 4.799 18.635 14.798 1.00 1.00 H new ATOM 0 HA3 GLY A 30 3.496 18.366 15.938 1.00 1.00 H new ATOM 412 N ASN A 31 4.544 15.615 14.619 1.00 1.00 N ATOM 413 CA ASN A 31 5.104 14.296 14.882 1.00 1.00 C ATOM 414 C ASN A 31 6.213 13.995 13.885 1.00 1.00 C ATOM 415 O ASN A 31 6.585 14.851 13.086 1.00 1.00 O ATOM 416 CB ASN A 31 4.008 13.241 14.777 1.00 1.00 C ATOM 417 CG ASN A 31 3.345 13.029 16.131 1.00 1.00 C ATOM 418 OD1 ASN A 31 3.736 12.147 16.894 1.00 1.00 O ATOM 419 ND2 ASN A 31 2.338 13.842 16.431 1.00 1.00 N ATOM 0 H ASN A 31 4.074 15.700 13.718 1.00 1.00 H new ATOM 0 HA ASN A 31 5.521 14.279 15.889 1.00 1.00 H new ATOM 0 HB2 ASN A 31 3.263 13.553 14.045 1.00 1.00 H new ATOM 0 HB3 ASN A 31 4.431 12.302 14.421 1.00 1.00 H new ATOM 0 HD21 ASN A 31 1.856 13.748 17.325 1.00 1.00 H new ATOM 0 HD22 ASN A 31 2.047 14.560 15.767 1.00 1.00 H new ATOM 426 N THR A 32 6.738 12.776 13.930 1.00 1.00 N ATOM 427 CA THR A 32 7.803 12.373 13.019 1.00 1.00 C ATOM 428 C THR A 32 7.597 10.935 12.561 1.00 1.00 C ATOM 429 O THR A 32 7.494 10.021 13.379 1.00 1.00 O ATOM 430 CB THR A 32 9.164 12.525 13.696 1.00 1.00 C ATOM 431 OG1 THR A 32 10.180 12.662 12.715 1.00 1.00 O ATOM 432 CG2 THR A 32 9.468 11.332 14.598 1.00 1.00 C ATOM 0 H THR A 32 6.445 12.051 14.585 1.00 1.00 H new ATOM 0 HA THR A 32 7.774 13.022 12.143 1.00 1.00 H new ATOM 0 HB THR A 32 9.136 13.421 14.316 1.00 1.00 H new ATOM 0 HG1 THR A 32 9.777 12.646 11.822 1.00 1.00 H new ATOM 0 HG21 THR A 32 10.443 11.469 15.066 1.00 1.00 H new ATOM 0 HG22 THR A 32 8.702 11.255 15.370 1.00 1.00 H new ATOM 0 HG23 THR A 32 9.476 10.419 14.003 1.00 1.00 H new ATOM 440 N VAL A 33 7.545 10.739 11.248 1.00 1.00 N ATOM 441 CA VAL A 33 7.363 9.411 10.677 1.00 1.00 C ATOM 442 C VAL A 33 8.615 9.015 9.915 1.00 1.00 C ATOM 443 O VAL A 33 9.610 9.732 9.936 1.00 1.00 O ATOM 444 CB VAL A 33 6.158 9.400 9.738 1.00 1.00 C ATOM 445 CG1 VAL A 33 5.531 8.010 9.686 1.00 1.00 C ATOM 446 CG2 VAL A 33 5.125 10.434 10.178 1.00 1.00 C ATOM 0 H VAL A 33 7.627 11.486 10.558 1.00 1.00 H new ATOM 0 HA VAL A 33 7.185 8.697 11.481 1.00 1.00 H new ATOM 0 HB VAL A 33 6.502 9.661 8.737 1.00 1.00 H new ATOM 0 HG11 VAL A 33 4.674 8.022 9.012 1.00 1.00 H new ATOM 0 HG12 VAL A 33 6.267 7.292 9.324 1.00 1.00 H new ATOM 0 HG13 VAL A 33 5.203 7.721 10.685 1.00 1.00 H new ATOM 0 HG21 VAL A 33 4.274 10.411 9.497 1.00 1.00 H new ATOM 0 HG22 VAL A 33 4.787 10.204 11.188 1.00 1.00 H new ATOM 0 HG23 VAL A 33 5.575 11.427 10.163 1.00 1.00 H new ATOM 456 N LYS A 34 8.568 7.875 9.243 1.00 1.00 N ATOM 457 CA LYS A 34 9.709 7.404 8.477 1.00 1.00 C ATOM 458 C LYS A 34 9.355 7.317 6.998 1.00 1.00 C ATOM 459 O LYS A 34 8.411 6.626 6.619 1.00 1.00 O ATOM 460 CB LYS A 34 10.145 6.038 8.990 1.00 1.00 C ATOM 461 CG LYS A 34 11.221 6.177 10.059 1.00 1.00 C ATOM 462 CD LYS A 34 11.344 4.903 10.889 1.00 1.00 C ATOM 463 CE LYS A 34 12.799 4.611 11.244 1.00 1.00 C ATOM 464 NZ LYS A 34 13.466 3.818 10.175 1.00 1.00 N ATOM 0 H LYS A 34 7.754 7.261 9.213 1.00 1.00 H new ATOM 0 HA LYS A 34 10.530 8.111 8.597 1.00 1.00 H new ATOM 0 HB2 LYS A 34 9.285 5.508 9.400 1.00 1.00 H new ATOM 0 HB3 LYS A 34 10.524 5.438 8.162 1.00 1.00 H new ATOM 0 HG2 LYS A 34 12.178 6.401 9.588 1.00 1.00 H new ATOM 0 HG3 LYS A 34 10.983 7.017 10.711 1.00 1.00 H new ATOM 0 HD2 LYS A 34 10.758 5.003 11.802 1.00 1.00 H new ATOM 0 HD3 LYS A 34 10.927 4.063 10.334 1.00 1.00 H new ATOM 0 HE2 LYS A 34 13.335 5.548 11.393 1.00 1.00 H new ATOM 0 HE3 LYS A 34 12.844 4.065 12.187 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 14.454 3.635 10.444 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 12.967 2.914 10.051 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 13.443 4.351 9.282 1.00 1.00 H new ATOM 478 N ARG A 35 10.118 8.021 6.170 1.00 1.00 N ATOM 479 CA ARG A 35 9.893 8.026 4.730 1.00 1.00 C ATOM 480 C ARG A 35 11.050 7.330 4.023 1.00 1.00 C ATOM 481 O ARG A 35 11.887 6.697 4.666 1.00 1.00 O ATOM 482 CB ARG A 35 9.756 9.461 4.231 1.00 1.00 C ATOM 483 CG ARG A 35 8.335 9.979 4.427 1.00 1.00 C ATOM 484 CD ARG A 35 8.330 11.468 4.760 1.00 1.00 C ATOM 485 NE ARG A 35 7.115 11.819 5.487 1.00 1.00 N ATOM 486 CZ ARG A 35 6.836 13.077 5.814 1.00 1.00 C ATOM 487 NH1 ARG A 35 7.632 14.060 5.415 1.00 1.00 N ATOM 488 NH2 ARG A 35 5.762 13.353 6.540 1.00 1.00 N ATOM 0 H ARG A 35 10.902 8.599 6.474 1.00 1.00 H new ATOM 0 HA ARG A 35 8.971 7.488 4.509 1.00 1.00 H new ATOM 0 HB2 ARG A 35 10.457 10.103 4.765 1.00 1.00 H new ATOM 0 HB3 ARG A 35 10.021 9.509 3.175 1.00 1.00 H new ATOM 0 HG2 ARG A 35 7.754 9.804 3.522 1.00 1.00 H new ATOM 0 HG3 ARG A 35 7.850 9.423 5.229 1.00 1.00 H new ATOM 0 HD2 ARG A 35 9.206 11.717 5.360 1.00 1.00 H new ATOM 0 HD3 ARG A 35 8.395 12.053 3.843 1.00 1.00 H new ATOM 0 HE ARG A 35 6.463 11.080 5.751 1.00 1.00 H new ATOM 0 HH11 ARG A 35 8.460 13.851 4.856 1.00 1.00 H new ATOM 0 HH12 ARG A 35 7.417 15.025 5.667 1.00 1.00 H new ATOM 0 HH21 ARG A 35 5.148 12.600 6.849 1.00 1.00 H new ATOM 0 HH22 ARG A 35 5.550 14.319 6.790 1.00 1.00 H new ATOM 502 N CYS A 36 11.092 7.441 2.700 1.00 1.00 N ATOM 503 CA CYS A 36 12.147 6.813 1.916 1.00 1.00 C ATOM 504 C CYS A 36 13.106 7.859 1.362 1.00 1.00 C ATOM 505 O CYS A 36 12.687 8.845 0.756 1.00 1.00 O ATOM 506 CB CYS A 36 11.541 6.008 0.773 1.00 1.00 C ATOM 507 SG CYS A 36 12.613 4.656 0.259 1.00 1.00 S ATOM 0 H CYS A 36 10.408 7.960 2.149 1.00 1.00 H new ATOM 0 HA CYS A 36 12.706 6.144 2.570 1.00 1.00 H new ATOM 0 HB2 CYS A 36 10.576 5.608 1.083 1.00 1.00 H new ATOM 0 HB3 CYS A 36 11.355 6.666 -0.076 1.00 1.00 H new ATOM 512 N ASP A 37 14.397 7.629 1.572 1.00 1.00 N ATOM 513 CA ASP A 37 15.430 8.540 1.096 1.00 1.00 C ATOM 514 C ASP A 37 15.260 8.807 -0.394 1.00 1.00 C ATOM 515 O ASP A 37 15.387 9.979 -0.807 1.00 0.00 O ATOM 516 CB ASP A 37 16.807 7.938 1.365 1.00 1.00 C ATOM 517 CG ASP A 37 17.312 8.374 2.734 1.00 1.00 C ATOM 518 OD1 ASP A 37 16.740 7.927 3.750 1.00 1.00 O ATOM 519 OD2 ASP A 37 18.279 9.163 2.787 1.00 1.00 O ATOM 520 OXT ASP A 37 15.000 7.844 -1.146 1.00 0.00 O ATOM 0 H ASP A 37 14.754 6.815 2.072 1.00 1.00 H new ATOM 0 HA ASP A 37 15.339 9.486 1.629 1.00 1.00 H new ATOM 0 HB2 ASP A 37 16.752 6.850 1.319 1.00 1.00 H new ATOM 0 HB3 ASP A 37 17.508 8.255 0.593 1.00 1.00 H new TER 525 ASP A 37