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+ -150:sc= 0.0573 (180deg=0) USER MOD Single : A 1 SER OG : rot 48:sc= 0.367 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.212 USER MOD Single : A 7 SER OG : rot 36:sc= 0.239 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -4.15! C(o=-4.2!,f=-11!) USER MOD Single : A 16 ASN : amide:sc= -1.01 K(o=-1,f=-2.4!) USER MOD Single : A 19 SER OG : rot -110:sc= -0.495 USER MOD Single : A 20 GLN : amide:sc= -1.59! C(o=-1.6!,f=-4.1!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 81:sc= -0.66! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -2.05 K(o=-2.1,f=-6.1!) USER MOD Single : A 29 ASN : amide:sc= -0.197 K(o=-0.2,f=-2!) USER MOD Single : A 31 ASN : amide:sc= -0.187 K(o=-0.19,f=-2.3!) USER MOD Single : A 32 THR OG1 : rot -0:sc= 0.963 USER MOD Single : A 34 LYS NZ :NH3+ -109:sc= 1.01 (180deg=-0.45) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -1.711 -2.687 -3.410 1.00 1.00 N ATOM 2 CA SER A 1 -0.420 -3.192 -2.863 1.00 1.00 C ATOM 3 C SER A 1 0.719 -2.859 -3.816 1.00 1.00 C ATOM 4 O SER A 1 1.022 -3.626 -4.730 1.00 1.00 O ATOM 5 CB SER A 1 -0.476 -4.700 -2.640 1.00 1.00 C ATOM 6 OG SER A 1 -0.991 -5.352 -3.792 1.00 1.00 O ATOM 0 H1 SER A 1 -2.350 -2.446 -2.626 1.00 1.00 H new ATOM 0 H2 SER A 1 -1.536 -1.839 -3.987 1.00 1.00 H new ATOM 0 H3 SER A 1 -2.149 -3.423 -4.000 1.00 1.00 H new ATOM 0 HA SER A 1 -0.245 -2.704 -1.904 1.00 1.00 H new ATOM 0 HB2 SER A 1 0.521 -5.078 -2.416 1.00 1.00 H new ATOM 0 HB3 SER A 1 -1.103 -4.923 -1.777 1.00 1.00 H new ATOM 0 HG SER A 1 -0.529 -5.020 -4.590 1.00 1.00 H new ATOM 14 N PRO A 2 1.364 -1.701 -3.612 1.00 1.00 N ATOM 15 CA PRO A 2 2.481 -1.253 -4.454 1.00 1.00 C ATOM 16 C PRO A 2 3.785 -1.960 -4.102 1.00 1.00 C ATOM 17 O PRO A 2 3.848 -2.725 -3.139 1.00 1.00 O ATOM 18 CB PRO A 2 2.580 0.238 -4.165 1.00 1.00 C ATOM 19 CG PRO A 2 1.990 0.426 -2.803 1.00 1.00 C ATOM 20 CD PRO A 2 1.059 -0.737 -2.545 1.00 1.00 C ATOM 0 HA PRO A 2 2.312 -1.476 -5.507 1.00 1.00 H new ATOM 0 HB2 PRO A 2 3.616 0.574 -4.193 1.00 1.00 H new ATOM 0 HB3 PRO A 2 2.037 0.818 -4.911 1.00 1.00 H new ATOM 0 HG2 PRO A 2 2.775 0.464 -2.047 1.00 1.00 H new ATOM 0 HG3 PRO A 2 1.448 1.370 -2.747 1.00 1.00 H new ATOM 0 HD2 PRO A 2 1.229 -1.170 -1.559 1.00 1.00 H new ATOM 0 HD3 PRO A 2 0.015 -0.424 -2.580 1.00 1.00 H new ATOM 28 N THR A 3 4.824 -1.700 -4.889 1.00 1.00 N ATOM 29 CA THR A 3 6.131 -2.309 -4.662 1.00 1.00 C ATOM 30 C THR A 3 6.892 -1.542 -3.586 1.00 1.00 C ATOM 31 O THR A 3 6.290 -0.908 -2.720 1.00 1.00 O ATOM 32 CB THR A 3 6.927 -2.329 -5.966 1.00 1.00 C ATOM 33 OG1 THR A 3 7.934 -3.328 -5.907 1.00 1.00 O ATOM 34 CG2 THR A 3 7.558 -0.966 -6.243 1.00 1.00 C ATOM 0 H THR A 3 4.787 -1.071 -5.691 1.00 1.00 H new ATOM 0 HA THR A 3 5.990 -3.334 -4.319 1.00 1.00 H new ATOM 0 HB THR A 3 6.240 -2.559 -6.781 1.00 1.00 H new ATOM 0 HG1 THR A 3 8.438 -3.335 -6.748 1.00 1.00 H new ATOM 0 HG21 THR A 3 8.119 -1.008 -7.177 1.00 1.00 H new ATOM 0 HG22 THR A 3 6.775 -0.212 -6.323 1.00 1.00 H new ATOM 0 HG23 THR A 3 8.231 -0.704 -5.427 1.00 1.00 H new ATOM 42 N CYS A 4 8.220 -1.604 -3.643 1.00 1.00 N ATOM 43 CA CYS A 4 9.061 -0.916 -2.673 1.00 1.00 C ATOM 44 C CYS A 4 8.587 0.518 -2.479 1.00 1.00 C ATOM 45 O CYS A 4 7.977 1.106 -3.371 1.00 1.00 O ATOM 46 CB CYS A 4 10.510 -0.926 -3.148 1.00 1.00 C ATOM 47 SG CYS A 4 10.728 -0.061 -4.713 1.00 1.00 S ATOM 0 H CYS A 4 8.735 -2.125 -4.352 1.00 1.00 H new ATOM 0 HA CYS A 4 8.992 -1.436 -1.718 1.00 1.00 H new ATOM 0 HB2 CYS A 4 11.141 -0.463 -2.389 1.00 1.00 H new ATOM 0 HB3 CYS A 4 10.847 -1.957 -3.256 1.00 1.00 H new ATOM 52 N ILE A 5 8.875 1.077 -1.308 1.00 1.00 N ATOM 53 CA ILE A 5 8.480 2.447 -0.992 1.00 1.00 C ATOM 54 C ILE A 5 9.450 3.430 -1.632 1.00 1.00 C ATOM 55 O ILE A 5 10.586 3.571 -1.186 1.00 1.00 O ATOM 56 CB ILE A 5 8.469 2.645 0.518 1.00 1.00 C ATOM 57 CG1 ILE A 5 7.423 1.743 1.166 1.00 1.00 C ATOM 58 CG2 ILE A 5 8.204 4.106 0.871 1.00 1.00 C ATOM 59 CD1 ILE A 5 8.057 0.468 1.718 1.00 1.00 C ATOM 0 H ILE A 5 9.381 0.602 -0.561 1.00 1.00 H new ATOM 0 HA ILE A 5 7.480 2.627 -1.386 1.00 1.00 H new ATOM 0 HB ILE A 5 9.451 2.373 0.905 1.00 1.00 H new ATOM 0 HG12 ILE A 5 6.923 2.282 1.971 1.00 1.00 H new ATOM 0 HG13 ILE A 5 6.658 1.484 0.433 1.00 1.00 H new ATOM 0 HG21 ILE A 5 8.201 4.224 1.955 1.00 1.00 H new ATOM 0 HG22 ILE A 5 8.986 4.732 0.440 1.00 1.00 H new ATOM 0 HG23 ILE A 5 7.236 4.407 0.470 1.00 1.00 H new ATOM 0 HD11 ILE A 5 7.286 -0.154 2.173 1.00 1.00 H new ATOM 0 HD12 ILE A 5 8.534 -0.082 0.907 1.00 1.00 H new ATOM 0 HD13 ILE A 5 8.803 0.728 2.468 1.00 1.00 H new ATOM 71 N PRO A 6 9.010 4.133 -2.683 1.00 1.00 N ATOM 72 CA PRO A 6 9.850 5.115 -3.384 1.00 1.00 C ATOM 73 C PRO A 6 10.150 6.335 -2.525 1.00 1.00 C ATOM 74 O PRO A 6 9.448 6.610 -1.556 1.00 1.00 O ATOM 75 CB PRO A 6 9.029 5.498 -4.608 1.00 1.00 C ATOM 76 CG PRO A 6 7.614 5.205 -4.234 1.00 1.00 C ATOM 77 CD PRO A 6 7.662 4.047 -3.268 1.00 1.00 C ATOM 0 HA PRO A 6 10.827 4.703 -3.638 1.00 1.00 H new ATOM 0 HB2 PRO A 6 9.161 6.551 -4.858 1.00 1.00 H new ATOM 0 HB3 PRO A 6 9.333 4.923 -5.482 1.00 1.00 H new ATOM 0 HG2 PRO A 6 7.145 6.075 -3.775 1.00 1.00 H new ATOM 0 HG3 PRO A 6 7.023 4.952 -5.115 1.00 1.00 H new ATOM 0 HD2 PRO A 6 6.889 4.131 -2.505 1.00 1.00 H new ATOM 0 HD3 PRO A 6 7.507 3.095 -3.776 1.00 1.00 H new ATOM 85 N SER A 7 11.204 7.054 -2.888 1.00 1.00 N ATOM 86 CA SER A 7 11.618 8.252 -2.158 1.00 1.00 C ATOM 87 C SER A 7 10.446 9.215 -1.983 1.00 1.00 C ATOM 88 O SER A 7 9.800 9.602 -2.956 1.00 1.00 O ATOM 89 CB SER A 7 12.750 8.947 -2.907 1.00 1.00 C ATOM 90 OG SER A 7 12.363 9.217 -4.247 1.00 1.00 O ATOM 0 H SER A 7 11.794 6.829 -3.689 1.00 1.00 H new ATOM 0 HA SER A 7 11.966 7.950 -1.170 1.00 1.00 H new ATOM 0 HB2 SER A 7 13.011 9.877 -2.403 1.00 1.00 H new ATOM 0 HB3 SER A 7 13.640 8.318 -2.898 1.00 1.00 H new ATOM 0 HG SER A 7 11.410 9.445 -4.273 1.00 1.00 H new ATOM 96 N GLY A 8 10.184 9.605 -0.737 1.00 1.00 N ATOM 97 CA GLY A 8 9.095 10.534 -0.434 1.00 1.00 C ATOM 98 C GLY A 8 7.936 9.827 0.259 1.00 1.00 C ATOM 99 O GLY A 8 7.175 10.444 1.002 1.00 1.00 O ATOM 0 H GLY A 8 10.710 9.293 0.079 1.00 1.00 H new ATOM 0 HA2 GLY A 8 9.466 11.337 0.203 1.00 1.00 H new ATOM 0 HA3 GLY A 8 8.742 10.996 -1.356 1.00 1.00 H new ATOM 103 N GLN A 9 7.804 8.530 0.007 1.00 1.00 N ATOM 104 CA GLN A 9 6.734 7.733 0.599 1.00 1.00 C ATOM 105 C GLN A 9 7.180 7.147 1.933 1.00 1.00 C ATOM 106 O GLN A 9 8.373 7.044 2.205 1.00 1.00 O ATOM 107 CB GLN A 9 6.336 6.609 -0.352 1.00 1.00 C ATOM 108 CG GLN A 9 4.856 6.688 -0.714 1.00 1.00 C ATOM 109 CD GLN A 9 4.692 6.972 -2.201 1.00 1.00 C ATOM 110 OE1 GLN A 9 4.182 6.138 -2.949 1.00 1.00 O ATOM 111 NE2 GLN A 9 5.126 8.151 -2.632 1.00 1.00 N ATOM 0 H GLN A 9 8.427 8.005 -0.606 1.00 1.00 H new ATOM 0 HA GLN A 9 5.874 8.380 0.772 1.00 1.00 H new ATOM 0 HB2 GLN A 9 6.938 6.667 -1.259 1.00 1.00 H new ATOM 0 HB3 GLN A 9 6.549 5.645 0.111 1.00 1.00 H new ATOM 0 HG2 GLN A 9 4.361 5.751 -0.459 1.00 1.00 H new ATOM 0 HG3 GLN A 9 4.373 7.472 -0.131 1.00 1.00 H new ATOM 0 HE21 GLN A 9 5.542 8.812 -1.976 1.00 1.00 H new ATOM 0 HE22 GLN A 9 5.043 8.395 -3.619 1.00 1.00 H new ATOM 120 N PRO A 10 6.218 6.758 2.783 1.00 1.00 N ATOM 121 CA PRO A 10 6.508 6.182 4.103 1.00 1.00 C ATOM 122 C PRO A 10 6.933 4.718 4.022 1.00 1.00 C ATOM 123 O PRO A 10 6.246 3.894 3.419 1.00 1.00 O ATOM 124 CB PRO A 10 5.193 6.322 4.857 1.00 1.00 C ATOM 125 CG PRO A 10 4.128 6.370 3.809 1.00 1.00 C ATOM 126 CD PRO A 10 4.773 6.856 2.529 1.00 1.00 C ATOM 0 HA PRO A 10 7.342 6.688 4.589 1.00 1.00 H new ATOM 0 HB2 PRO A 10 5.039 5.482 5.534 1.00 1.00 H new ATOM 0 HB3 PRO A 10 5.185 7.227 5.465 1.00 1.00 H new ATOM 0 HG2 PRO A 10 3.686 5.384 3.666 1.00 1.00 H new ATOM 0 HG3 PRO A 10 3.322 7.039 4.111 1.00 1.00 H new ATOM 0 HD2 PRO A 10 4.477 6.242 1.678 1.00 1.00 H new ATOM 0 HD3 PRO A 10 4.479 7.880 2.301 1.00 1.00 H new ATOM 134 N CYS A 11 8.071 4.405 4.635 1.00 1.00 N ATOM 135 CA CYS A 11 8.599 3.045 4.643 1.00 1.00 C ATOM 136 C CYS A 11 8.674 2.513 6.070 1.00 1.00 C ATOM 137 O CYS A 11 8.954 3.261 7.006 1.00 1.00 O ATOM 138 CB CYS A 11 9.989 3.025 4.014 1.00 1.00 C ATOM 139 SG CYS A 11 11.195 3.941 4.992 1.00 1.00 S ATOM 0 H CYS A 11 8.648 5.080 5.136 1.00 1.00 H new ATOM 0 HA CYS A 11 7.930 2.408 4.064 1.00 1.00 H new ATOM 0 HB2 CYS A 11 10.321 1.993 3.905 1.00 1.00 H new ATOM 0 HB3 CYS A 11 9.938 3.451 3.012 1.00 1.00 H new ATOM 144 N PRO A 12 8.426 1.206 6.251 1.00 1.00 N ATOM 145 CA PRO A 12 8.469 0.566 7.572 1.00 1.00 C ATOM 146 C PRO A 12 9.899 0.300 8.028 1.00 1.00 C ATOM 147 O PRO A 12 10.280 0.648 9.146 1.00 1.00 O ATOM 148 CB PRO A 12 7.712 -0.740 7.370 1.00 1.00 C ATOM 149 CG PRO A 12 7.827 -1.051 5.913 1.00 1.00 C ATOM 150 CD PRO A 12 8.088 0.250 5.188 1.00 1.00 C ATOM 0 HA PRO A 12 8.034 1.196 8.347 1.00 1.00 H new ATOM 0 HB2 PRO A 12 8.140 -1.539 7.976 1.00 1.00 H new ATOM 0 HB3 PRO A 12 6.668 -0.638 7.668 1.00 1.00 H new ATOM 0 HG2 PRO A 12 8.637 -1.758 5.735 1.00 1.00 H new ATOM 0 HG3 PRO A 12 6.912 -1.516 5.547 1.00 1.00 H new ATOM 0 HD2 PRO A 12 8.904 0.148 4.472 1.00 1.00 H new ATOM 0 HD3 PRO A 12 7.211 0.574 4.628 1.00 1.00 H new ATOM 158 N TYR A 13 10.689 -0.313 7.152 1.00 1.00 N ATOM 159 CA TYR A 13 12.083 -0.621 7.459 1.00 1.00 C ATOM 160 C TYR A 13 12.980 -0.147 6.327 1.00 1.00 C ATOM 161 O TYR A 13 12.517 0.073 5.208 1.00 1.00 O ATOM 162 CB TYR A 13 12.267 -2.123 7.648 1.00 1.00 C ATOM 163 CG TYR A 13 11.032 -2.813 8.162 1.00 1.00 C ATOM 164 CD1 TYR A 13 10.509 -2.477 9.397 1.00 1.00 C ATOM 165 CD2 TYR A 13 10.419 -3.787 7.393 1.00 1.00 C ATOM 166 CE1 TYR A 13 9.373 -3.118 9.863 1.00 1.00 C ATOM 167 CE2 TYR A 13 9.283 -4.425 7.860 1.00 1.00 C ATOM 168 CZ TYR A 13 8.767 -4.087 9.092 1.00 1.00 C ATOM 169 OH TYR A 13 7.637 -4.722 9.556 1.00 1.00 O ATOM 0 H TYR A 13 10.388 -0.607 6.223 1.00 1.00 H new ATOM 0 HA TYR A 13 12.354 -0.108 8.382 1.00 1.00 H new ATOM 0 HB2 TYR A 13 12.555 -2.570 6.696 1.00 1.00 H new ATOM 0 HB3 TYR A 13 13.088 -2.297 8.343 1.00 1.00 H new ATOM 0 HD1 TYR A 13 10.985 -1.716 9.997 1.00 1.00 H new ATOM 0 HD2 TYR A 13 10.827 -4.049 6.428 1.00 1.00 H new ATOM 0 HE1 TYR A 13 8.963 -2.859 10.828 1.00 1.00 H new ATOM 0 HE2 TYR A 13 8.803 -5.185 7.261 1.00 1.00 H new ATOM 0 HH TYR A 13 7.334 -5.376 8.892 1.00 1.00 H new ATOM 179 N ASN A 14 14.269 -0.007 6.617 1.00 1.00 N ATOM 180 CA ASN A 14 15.235 0.423 5.617 1.00 1.00 C ATOM 181 C ASN A 14 15.429 -0.669 4.566 1.00 1.00 C ATOM 182 O ASN A 14 16.129 -0.469 3.573 1.00 1.00 O ATOM 183 CB ASN A 14 16.569 0.742 6.286 1.00 1.00 C ATOM 184 CG ASN A 14 16.359 1.509 7.578 1.00 1.00 C ATOM 185 OD1 ASN A 14 15.230 1.712 8.026 1.00 1.00 O ATOM 186 ND2 ASN A 14 17.457 1.934 8.179 1.00 1.00 N ATOM 0 H ASN A 14 14.668 -0.186 7.539 1.00 1.00 H new ATOM 0 HA ASN A 14 14.857 1.320 5.127 1.00 1.00 H new ATOM 0 HB2 ASN A 14 17.107 -0.183 6.491 1.00 1.00 H new ATOM 0 HB3 ASN A 14 17.189 1.328 5.608 1.00 1.00 H new ATOM 0 HD21 ASN A 14 17.391 2.455 9.053 1.00 1.00 H new ATOM 0 HD22 ASN A 14 18.371 1.741 7.768 1.00 1.00 H new ATOM 193 N GLU A 15 14.812 -1.829 4.797 1.00 1.00 N ATOM 194 CA GLU A 15 14.921 -2.960 3.880 1.00 1.00 C ATOM 195 C GLU A 15 13.726 -3.014 2.935 1.00 1.00 C ATOM 196 O GLU A 15 13.720 -3.784 1.974 1.00 1.00 O ATOM 197 CB GLU A 15 14.998 -4.258 4.679 1.00 1.00 C ATOM 198 CG GLU A 15 16.103 -5.169 4.154 1.00 1.00 C ATOM 199 CD GLU A 15 16.279 -6.366 5.077 1.00 1.00 C ATOM 200 OE1 GLU A 15 16.096 -6.205 6.302 1.00 1.00 O ATOM 201 OE2 GLU A 15 16.600 -7.464 4.574 1.00 1.00 O ATOM 0 H GLU A 15 14.230 -2.008 5.615 1.00 1.00 H new ATOM 0 HA GLU A 15 15.826 -2.835 3.285 1.00 1.00 H new ATOM 0 HB2 GLU A 15 15.180 -4.030 5.729 1.00 1.00 H new ATOM 0 HB3 GLU A 15 14.041 -4.777 4.627 1.00 1.00 H new ATOM 0 HG2 GLU A 15 15.857 -5.509 3.148 1.00 1.00 H new ATOM 0 HG3 GLU A 15 17.039 -4.614 4.083 1.00 1.00 H new ATOM 208 N ASN A 16 12.709 -2.205 3.215 1.00 1.00 N ATOM 209 CA ASN A 16 11.505 -2.179 2.388 1.00 1.00 C ATOM 210 C ASN A 16 11.460 -0.919 1.533 1.00 1.00 C ATOM 211 O ASN A 16 10.436 -0.612 0.920 1.00 1.00 O ATOM 212 CB ASN A 16 10.264 -2.247 3.275 1.00 1.00 C ATOM 213 CG ASN A 16 9.127 -2.941 2.537 1.00 1.00 C ATOM 214 OD1 ASN A 16 9.358 -3.754 1.641 1.00 1.00 O ATOM 215 ND2 ASN A 16 7.895 -2.623 2.916 1.00 1.00 N ATOM 0 H ASN A 16 12.693 -1.560 4.005 1.00 1.00 H new ATOM 0 HA ASN A 16 11.526 -3.044 1.725 1.00 1.00 H new ATOM 0 HB2 ASN A 16 10.494 -2.787 4.194 1.00 1.00 H new ATOM 0 HB3 ASN A 16 9.959 -1.241 3.564 1.00 1.00 H new ATOM 0 HD21 ASN A 16 7.093 -3.058 2.460 1.00 1.00 H new ATOM 0 HD22 ASN A 16 7.751 -1.944 3.663 1.00 1.00 H new ATOM 222 N CYS A 17 12.571 -0.192 1.487 1.00 1.00 N ATOM 223 CA CYS A 17 12.647 1.032 0.698 1.00 1.00 C ATOM 224 C CYS A 17 13.187 0.736 -0.694 1.00 1.00 C ATOM 225 O CYS A 17 14.020 -0.151 -0.871 1.00 1.00 O ATOM 226 CB CYS A 17 13.541 2.053 1.391 1.00 1.00 C ATOM 227 SG CYS A 17 12.622 3.504 1.924 1.00 1.00 S ATOM 0 H CYS A 17 13.429 -0.428 1.985 1.00 1.00 H new ATOM 0 HA CYS A 17 11.642 1.443 0.606 1.00 1.00 H new ATOM 0 HB2 CYS A 17 14.019 1.589 2.254 1.00 1.00 H new ATOM 0 HB3 CYS A 17 14.337 2.358 0.712 1.00 1.00 H new ATOM 232 N CYS A 18 12.715 1.492 -1.682 1.00 1.00 N ATOM 233 CA CYS A 18 13.161 1.314 -3.054 1.00 1.00 C ATOM 234 C CYS A 18 14.666 1.517 -3.129 1.00 1.00 C ATOM 235 O CYS A 18 15.370 0.805 -3.843 1.00 1.00 O ATOM 236 CB CYS A 18 12.449 2.310 -3.959 1.00 1.00 C ATOM 237 SG CYS A 18 10.713 1.896 -4.207 1.00 1.00 S ATOM 0 H CYS A 18 12.025 2.232 -1.555 1.00 1.00 H new ATOM 0 HA CYS A 18 12.922 0.304 -3.387 1.00 1.00 H new ATOM 0 HB2 CYS A 18 12.523 3.307 -3.526 1.00 1.00 H new ATOM 0 HB3 CYS A 18 12.953 2.344 -4.925 1.00 1.00 H new ATOM 242 N SER A 19 15.149 2.495 -2.373 1.00 1.00 N ATOM 243 CA SER A 19 16.568 2.807 -2.326 1.00 1.00 C ATOM 244 C SER A 19 17.243 2.033 -1.198 1.00 1.00 C ATOM 245 O SER A 19 18.470 2.005 -1.101 1.00 1.00 O ATOM 246 CB SER A 19 16.765 4.303 -2.116 1.00 1.00 C ATOM 247 OG SER A 19 16.799 4.605 -0.728 1.00 1.00 O ATOM 0 H SER A 19 14.571 3.090 -1.779 1.00 1.00 H new ATOM 0 HA SER A 19 17.021 2.516 -3.273 1.00 1.00 H new ATOM 0 HB2 SER A 19 17.693 4.624 -2.588 1.00 1.00 H new ATOM 0 HB3 SER A 19 15.956 4.854 -2.596 1.00 1.00 H new ATOM 0 HG SER A 19 15.988 5.096 -0.480 1.00 1.00 H new ATOM 253 N GLN A 20 16.434 1.410 -0.345 1.00 1.00 N ATOM 254 CA GLN A 20 16.950 0.637 0.781 1.00 1.00 C ATOM 255 C GLN A 20 17.406 1.563 1.903 1.00 1.00 C ATOM 256 O GLN A 20 17.999 1.116 2.884 1.00 1.00 O ATOM 257 CB GLN A 20 18.111 -0.238 0.327 1.00 1.00 C ATOM 258 CG GLN A 20 17.875 -1.703 0.688 1.00 1.00 C ATOM 259 CD GLN A 20 16.536 -2.175 0.138 1.00 1.00 C ATOM 260 OE1 GLN A 20 15.488 -1.942 0.741 1.00 1.00 O ATOM 261 NE2 GLN A 20 16.570 -2.844 -1.009 1.00 1.00 N ATOM 0 H GLN A 20 15.416 1.426 -0.413 1.00 1.00 H new ATOM 0 HA GLN A 20 16.149 0.001 1.158 1.00 1.00 H new ATOM 0 HB2 GLN A 20 18.241 -0.143 -0.751 1.00 1.00 H new ATOM 0 HB3 GLN A 20 19.034 0.109 0.791 1.00 1.00 H new ATOM 0 HG2 GLN A 20 18.679 -2.318 0.284 1.00 1.00 H new ATOM 0 HG3 GLN A 20 17.894 -1.825 1.771 1.00 1.00 H new ATOM 0 HE21 GLN A 20 17.462 -3.014 -1.474 1.00 1.00 H new ATOM 0 HE22 GLN A 20 15.704 -3.188 -1.425 1.00 1.00 H new ATOM 270 N SER A 21 17.131 2.857 1.754 1.00 1.00 N ATOM 271 CA SER A 21 17.518 3.841 2.758 1.00 1.00 C ATOM 272 C SER A 21 16.287 4.511 3.358 1.00 1.00 C ATOM 273 O SER A 21 15.660 5.353 2.720 1.00 1.00 O ATOM 274 CB SER A 21 18.419 4.894 2.123 1.00 1.00 C ATOM 275 OG SER A 21 19.781 4.498 2.210 1.00 1.00 O ATOM 0 H SER A 21 16.642 3.247 0.948 1.00 1.00 H new ATOM 0 HA SER A 21 18.058 3.331 3.556 1.00 1.00 H new ATOM 0 HB2 SER A 21 18.141 5.038 1.079 1.00 1.00 H new ATOM 0 HB3 SER A 21 18.279 5.852 2.624 1.00 1.00 H new ATOM 0 HG SER A 21 20.348 5.183 1.797 1.00 1.00 H new ATOM 281 N CYS A 22 15.947 4.139 4.589 1.00 1.00 N ATOM 282 CA CYS A 22 14.794 4.714 5.273 1.00 1.00 C ATOM 283 C CYS A 22 15.250 5.791 6.251 1.00 1.00 C ATOM 284 O CYS A 22 16.300 5.666 6.880 1.00 1.00 O ATOM 285 CB CYS A 22 14.031 3.624 6.017 1.00 1.00 C ATOM 286 SG CYS A 22 12.843 2.772 4.965 1.00 1.00 S ATOM 0 H CYS A 22 16.454 3.441 5.133 1.00 1.00 H new ATOM 0 HA CYS A 22 14.134 5.165 4.532 1.00 1.00 H new ATOM 0 HB2 CYS A 22 14.739 2.900 6.420 1.00 1.00 H new ATOM 0 HB3 CYS A 22 13.509 4.065 6.866 1.00 1.00 H new ATOM 291 N THR A 23 14.456 6.851 6.374 1.00 1.00 N ATOM 292 CA THR A 23 14.782 7.952 7.275 1.00 1.00 C ATOM 293 C THR A 23 13.546 8.386 8.053 1.00 1.00 C ATOM 294 O THR A 23 12.450 7.880 7.823 1.00 1.00 O ATOM 295 CB THR A 23 15.335 9.128 6.472 1.00 1.00 C ATOM 296 OG1 THR A 23 15.220 10.328 7.220 1.00 1.00 O ATOM 297 CG2 THR A 23 14.598 9.268 5.144 1.00 1.00 C ATOM 0 H THR A 23 13.582 6.971 5.861 1.00 1.00 H new ATOM 0 HA THR A 23 15.537 7.615 7.985 1.00 1.00 H new ATOM 0 HB THR A 23 16.388 8.937 6.265 1.00 1.00 H new ATOM 0 HG1 THR A 23 15.959 10.386 7.861 1.00 1.00 H new ATOM 0 HG21 THR A 23 15.007 10.111 4.588 1.00 1.00 H new ATOM 0 HG22 THR A 23 14.721 8.355 4.561 1.00 1.00 H new ATOM 0 HG23 THR A 23 13.538 9.438 5.332 1.00 1.00 H new ATOM 305 N PHE A 24 13.729 9.324 8.976 1.00 1.00 N ATOM 306 CA PHE A 24 12.628 9.828 9.791 1.00 1.00 C ATOM 307 C PHE A 24 12.412 11.314 9.523 1.00 1.00 C ATOM 308 O PHE A 24 13.268 12.141 9.837 1.00 1.00 O ATOM 309 CB PHE A 24 12.939 9.614 11.268 1.00 1.00 C ATOM 310 CG PHE A 24 11.961 8.699 11.959 1.00 1.00 C ATOM 311 CD1 PHE A 24 10.639 9.085 12.115 1.00 1.00 C ATOM 312 CD2 PHE A 24 12.385 7.472 12.445 1.00 1.00 C ATOM 313 CE1 PHE A 24 9.743 8.244 12.754 1.00 1.00 C ATOM 314 CE2 PHE A 24 11.489 6.633 13.085 1.00 1.00 C ATOM 315 CZ PHE A 24 10.169 7.019 13.239 1.00 1.00 C ATOM 0 H PHE A 24 14.632 9.752 9.179 1.00 1.00 H new ATOM 0 HA PHE A 24 11.720 9.285 9.530 1.00 1.00 H new ATOM 0 HB2 PHE A 24 13.943 9.200 11.364 1.00 1.00 H new ATOM 0 HB3 PHE A 24 12.942 10.579 11.775 1.00 1.00 H new ATOM 0 HD1 PHE A 24 10.308 10.041 11.738 1.00 1.00 H new ATOM 0 HD2 PHE A 24 13.415 7.170 12.324 1.00 1.00 H new ATOM 0 HE1 PHE A 24 8.712 8.544 12.874 1.00 1.00 H new ATOM 0 HE2 PHE A 24 11.820 5.677 13.464 1.00 1.00 H new ATOM 0 HZ PHE A 24 9.470 6.364 13.738 1.00 1.00 H new ATOM 325 N LYS A 25 11.261 11.647 8.948 1.00 1.00 N ATOM 326 CA LYS A 25 10.928 13.036 8.646 1.00 1.00 C ATOM 327 C LYS A 25 9.847 13.528 9.601 1.00 1.00 C ATOM 328 O LYS A 25 9.109 12.730 10.174 1.00 1.00 O ATOM 329 CB LYS A 25 10.446 13.155 7.204 1.00 1.00 C ATOM 330 CG LYS A 25 11.049 14.378 6.518 1.00 1.00 C ATOM 331 CD LYS A 25 10.223 15.631 6.794 1.00 1.00 C ATOM 332 CE LYS A 25 10.075 16.483 5.538 1.00 1.00 C ATOM 333 NZ LYS A 25 11.212 17.437 5.393 1.00 1.00 N ATOM 0 H LYS A 25 10.542 10.974 8.681 1.00 1.00 H new ATOM 0 HA LYS A 25 11.819 13.651 8.771 1.00 1.00 H new ATOM 0 HB2 LYS A 25 10.717 12.255 6.652 1.00 1.00 H new ATOM 0 HB3 LYS A 25 9.358 13.224 7.186 1.00 1.00 H new ATOM 0 HG2 LYS A 25 12.070 14.528 6.869 1.00 1.00 H new ATOM 0 HG3 LYS A 25 11.104 14.205 5.443 1.00 1.00 H new ATOM 0 HD2 LYS A 25 9.237 15.346 7.161 1.00 1.00 H new ATOM 0 HD3 LYS A 25 10.699 16.217 7.580 1.00 1.00 H new ATOM 0 HE2 LYS A 25 10.026 15.837 4.662 1.00 1.00 H new ATOM 0 HE3 LYS A 25 9.137 17.036 5.580 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 11.083 18.002 4.530 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 11.243 18.068 6.219 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 12.104 16.907 5.329 1.00 1.00 H new ATOM 347 N GLU A 26 9.763 14.841 9.778 1.00 1.00 N ATOM 348 CA GLU A 26 8.776 15.425 10.672 1.00 1.00 C ATOM 349 C GLU A 26 7.669 16.110 9.881 1.00 1.00 C ATOM 350 O GLU A 26 7.933 16.808 8.901 1.00 1.00 O ATOM 351 CB GLU A 26 9.446 16.425 11.606 1.00 1.00 C ATOM 352 CG GLU A 26 8.682 16.549 12.921 1.00 1.00 C ATOM 353 CD GLU A 26 9.521 17.294 13.951 1.00 1.00 C ATOM 354 OE1 GLU A 26 10.170 18.295 13.579 1.00 1.00 O ATOM 355 OE2 GLU A 26 9.530 16.877 15.128 1.00 1.00 O ATOM 0 H GLU A 26 10.367 15.519 9.314 1.00 1.00 H new ATOM 0 HA GLU A 26 8.331 14.625 11.264 1.00 1.00 H new ATOM 0 HB2 GLU A 26 10.470 16.110 11.806 1.00 1.00 H new ATOM 0 HB3 GLU A 26 9.501 17.400 11.121 1.00 1.00 H new ATOM 0 HG2 GLU A 26 7.743 17.077 12.756 1.00 1.00 H new ATOM 0 HG3 GLU A 26 8.428 15.558 13.297 1.00 1.00 H new ATOM 362 N ASN A 27 6.429 15.910 10.315 1.00 1.00 N ATOM 363 CA ASN A 27 5.274 16.507 9.654 1.00 1.00 C ATOM 364 C ASN A 27 4.930 17.840 10.301 1.00 1.00 C ATOM 365 O ASN A 27 5.675 18.348 11.139 1.00 1.00 O ATOM 366 CB ASN A 27 4.058 15.579 9.741 1.00 1.00 C ATOM 367 CG ASN A 27 4.450 14.196 10.248 1.00 1.00 C ATOM 368 OD1 ASN A 27 5.389 13.579 9.744 1.00 1.00 O ATOM 369 ND2 ASN A 27 3.724 13.709 11.248 1.00 1.00 N ATOM 0 H ASN A 27 6.198 15.336 11.126 1.00 1.00 H new ATOM 0 HA ASN A 27 5.529 16.662 8.606 1.00 1.00 H new ATOM 0 HB2 ASN A 27 3.313 16.015 10.407 1.00 1.00 H new ATOM 0 HB3 ASN A 27 3.595 15.490 8.758 1.00 1.00 H new ATOM 0 HD21 ASN A 27 3.936 12.787 11.630 1.00 1.00 H new ATOM 0 HD22 ASN A 27 2.955 14.257 11.634 1.00 1.00 H new ATOM 376 N GLU A 28 3.790 18.397 9.910 1.00 1.00 N ATOM 377 CA GLU A 28 3.331 19.665 10.450 1.00 1.00 C ATOM 378 C GLU A 28 2.460 19.424 11.675 1.00 1.00 C ATOM 379 O GLU A 28 2.232 20.330 12.477 1.00 1.00 O ATOM 380 CB GLU A 28 2.543 20.433 9.393 1.00 1.00 C ATOM 381 CG GLU A 28 2.178 21.832 9.884 1.00 1.00 C ATOM 382 CD GLU A 28 2.631 22.881 8.876 1.00 1.00 C ATOM 383 OE1 GLU A 28 2.593 22.594 7.661 1.00 1.00 O ATOM 384 OE2 GLU A 28 3.022 23.987 9.303 1.00 1.00 O ATOM 0 H GLU A 28 3.165 17.985 9.217 1.00 1.00 H new ATOM 0 HA GLU A 28 4.198 20.257 10.742 1.00 1.00 H new ATOM 0 HB2 GLU A 28 3.133 20.508 8.479 1.00 1.00 H new ATOM 0 HB3 GLU A 28 1.635 19.884 9.143 1.00 1.00 H new ATOM 0 HG2 GLU A 28 1.101 21.903 10.033 1.00 1.00 H new ATOM 0 HG3 GLU A 28 2.647 22.020 10.850 1.00 1.00 H new ATOM 391 N ASN A 29 1.975 18.192 11.814 1.00 1.00 N ATOM 392 CA ASN A 29 1.131 17.826 12.944 1.00 1.00 C ATOM 393 C ASN A 29 1.946 17.823 14.230 1.00 1.00 C ATOM 394 O ASN A 29 1.391 17.779 15.328 1.00 1.00 O ATOM 395 CB ASN A 29 0.519 16.447 12.710 1.00 1.00 C ATOM 396 CG ASN A 29 -0.783 16.308 13.488 1.00 1.00 C ATOM 397 OD1 ASN A 29 -1.487 17.291 13.720 1.00 1.00 O ATOM 398 ND2 ASN A 29 -1.105 15.085 13.890 1.00 1.00 N ATOM 0 H ASN A 29 2.153 17.432 11.157 1.00 1.00 H new ATOM 0 HA ASN A 29 0.330 18.560 13.038 1.00 1.00 H new ATOM 0 HB2 ASN A 29 0.332 16.300 11.646 1.00 1.00 H new ATOM 0 HB3 ASN A 29 1.221 15.673 13.020 1.00 1.00 H new ATOM 0 HD21 ASN A 29 -1.966 14.931 14.414 1.00 1.00 H new ATOM 0 HD22 ASN A 29 -0.491 14.299 13.675 1.00 1.00 H new ATOM 405 N GLY A 30 3.266 17.870 14.085 1.00 1.00 N ATOM 406 CA GLY A 30 4.162 17.874 15.231 1.00 1.00 C ATOM 407 C GLY A 30 4.638 16.465 15.547 1.00 1.00 C ATOM 408 O GLY A 30 5.164 16.203 16.629 1.00 1.00 O ATOM 0 H GLY A 30 3.738 17.906 13.182 1.00 1.00 H new ATOM 0 HA2 GLY A 30 5.019 18.515 15.026 1.00 1.00 H new ATOM 0 HA3 GLY A 30 3.650 18.293 16.097 1.00 1.00 H new ATOM 412 N ASN A 31 4.452 15.558 14.593 1.00 1.00 N ATOM 413 CA ASN A 31 4.861 14.173 14.763 1.00 1.00 C ATOM 414 C ASN A 31 6.015 13.855 13.826 1.00 1.00 C ATOM 415 O ASN A 31 6.455 14.709 13.060 1.00 1.00 O ATOM 416 CB ASN A 31 3.687 13.250 14.467 1.00 1.00 C ATOM 417 CG ASN A 31 2.782 13.135 15.686 1.00 1.00 C ATOM 418 OD1 ASN A 31 3.124 13.602 16.772 1.00 1.00 O ATOM 419 ND2 ASN A 31 1.624 12.512 15.506 1.00 1.00 N ATOM 0 H ASN A 31 4.019 15.761 13.692 1.00 1.00 H new ATOM 0 HA ASN A 31 5.186 14.021 15.792 1.00 1.00 H new ATOM 0 HB2 ASN A 31 3.119 13.634 13.619 1.00 1.00 H new ATOM 0 HB3 ASN A 31 4.054 12.263 14.184 1.00 1.00 H new ATOM 0 HD21 ASN A 31 0.976 12.405 16.286 1.00 1.00 H new ATOM 0 HD22 ASN A 31 1.382 12.140 14.587 1.00 1.00 H new ATOM 426 N THR A 32 6.500 12.622 13.885 1.00 1.00 N ATOM 427 CA THR A 32 7.600 12.197 13.029 1.00 1.00 C ATOM 428 C THR A 32 7.376 10.768 12.547 1.00 1.00 C ATOM 429 O THR A 32 7.147 9.861 13.347 1.00 1.00 O ATOM 430 CB THR A 32 8.929 12.311 13.779 1.00 1.00 C ATOM 431 OG1 THR A 32 9.985 12.533 12.857 1.00 1.00 O ATOM 432 CG2 THR A 32 9.216 11.058 14.604 1.00 1.00 C ATOM 0 H THR A 32 6.150 11.900 14.515 1.00 1.00 H new ATOM 0 HA THR A 32 7.638 12.851 12.158 1.00 1.00 H new ATOM 0 HB THR A 32 8.856 13.155 14.465 1.00 1.00 H new ATOM 0 HG1 THR A 32 9.624 12.559 11.946 1.00 1.00 H new ATOM 0 HG21 THR A 32 10.167 11.174 15.123 1.00 1.00 H new ATOM 0 HG22 THR A 32 8.420 10.913 15.334 1.00 1.00 H new ATOM 0 HG23 THR A 32 9.266 10.192 13.944 1.00 1.00 H new ATOM 440 N VAL A 33 7.452 10.574 11.235 1.00 1.00 N ATOM 441 CA VAL A 33 7.267 9.257 10.641 1.00 1.00 C ATOM 442 C VAL A 33 8.524 8.868 9.881 1.00 1.00 C ATOM 443 O VAL A 33 9.498 9.612 9.868 1.00 1.00 O ATOM 444 CB VAL A 33 6.068 9.265 9.696 1.00 1.00 C ATOM 445 CG1 VAL A 33 5.418 7.886 9.639 1.00 1.00 C ATOM 446 CG2 VAL A 33 5.047 10.315 10.129 1.00 1.00 C ATOM 0 H VAL A 33 7.641 11.316 10.561 1.00 1.00 H new ATOM 0 HA VAL A 33 7.079 8.531 11.432 1.00 1.00 H new ATOM 0 HB VAL A 33 6.425 9.521 8.698 1.00 1.00 H new ATOM 0 HG11 VAL A 33 4.566 7.913 8.960 1.00 1.00 H new ATOM 0 HG12 VAL A 33 6.144 7.156 9.281 1.00 1.00 H new ATOM 0 HG13 VAL A 33 5.079 7.602 10.635 1.00 1.00 H new ATOM 0 HG21 VAL A 33 4.201 10.304 9.442 1.00 1.00 H new ATOM 0 HG22 VAL A 33 4.699 10.090 11.137 1.00 1.00 H new ATOM 0 HG23 VAL A 33 5.512 11.301 10.117 1.00 1.00 H new ATOM 456 N LYS A 34 8.502 7.709 9.244 1.00 1.00 N ATOM 457 CA LYS A 34 9.653 7.245 8.481 1.00 1.00 C ATOM 458 C LYS A 34 9.322 7.222 6.996 1.00 1.00 C ATOM 459 O LYS A 34 8.380 6.554 6.572 1.00 1.00 O ATOM 460 CB LYS A 34 10.059 5.855 8.946 1.00 1.00 C ATOM 461 CG LYS A 34 11.154 5.930 10.003 1.00 1.00 C ATOM 462 CD LYS A 34 11.310 4.595 10.726 1.00 1.00 C ATOM 463 CE LYS A 34 12.716 4.029 10.548 1.00 1.00 C ATOM 464 NZ LYS A 34 13.741 4.928 11.149 1.00 1.00 N ATOM 0 H LYS A 34 7.704 7.073 9.239 1.00 1.00 H new ATOM 0 HA LYS A 34 10.484 7.930 8.645 1.00 1.00 H new ATOM 0 HB2 LYS A 34 9.191 5.336 9.353 1.00 1.00 H new ATOM 0 HB3 LYS A 34 10.410 5.271 8.095 1.00 1.00 H new ATOM 0 HG2 LYS A 34 12.098 6.206 9.534 1.00 1.00 H new ATOM 0 HG3 LYS A 34 10.915 6.712 10.724 1.00 1.00 H new ATOM 0 HD2 LYS A 34 11.101 4.727 11.787 1.00 1.00 H new ATOM 0 HD3 LYS A 34 10.578 3.884 10.343 1.00 1.00 H new ATOM 0 HE2 LYS A 34 12.776 3.044 11.012 1.00 1.00 H new ATOM 0 HE3 LYS A 34 12.925 3.894 9.487 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 14.289 5.385 10.392 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 13.270 5.656 11.724 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 14.381 4.371 11.751 1.00 1.00 H new ATOM 478 N ARG A 35 10.103 7.954 6.209 1.00 1.00 N ATOM 479 CA ARG A 35 9.898 8.018 4.767 1.00 1.00 C ATOM 480 C ARG A 35 11.057 7.343 4.047 1.00 1.00 C ATOM 481 O ARG A 35 11.898 6.699 4.673 1.00 1.00 O ATOM 482 CB ARG A 35 9.779 9.472 4.322 1.00 1.00 C ATOM 483 CG ARG A 35 8.483 10.099 4.826 1.00 1.00 C ATOM 484 CD ARG A 35 8.523 11.620 4.711 1.00 1.00 C ATOM 485 NE ARG A 35 7.174 12.169 4.803 1.00 1.00 N ATOM 486 CZ ARG A 35 6.934 13.465 4.639 1.00 1.00 C ATOM 487 NH1 ARG A 35 7.914 14.284 4.282 1.00 1.00 N ATOM 488 NH2 ARG A 35 5.712 13.946 4.829 1.00 1.00 N ATOM 0 H ARG A 35 10.886 8.513 6.547 1.00 1.00 H new ATOM 0 HA ARG A 35 8.975 7.496 4.516 1.00 1.00 H new ATOM 0 HB2 ARG A 35 10.631 10.040 4.696 1.00 1.00 H new ATOM 0 HB3 ARG A 35 9.813 9.526 3.234 1.00 1.00 H new ATOM 0 HG2 ARG A 35 7.641 9.711 4.253 1.00 1.00 H new ATOM 0 HG3 ARG A 35 8.319 9.815 5.865 1.00 1.00 H new ATOM 0 HD2 ARG A 35 9.147 12.035 5.502 1.00 1.00 H new ATOM 0 HD3 ARG A 35 8.977 11.908 3.763 1.00 1.00 H new ATOM 0 HE ARG A 35 6.395 11.541 4.998 1.00 1.00 H new ATOM 0 HH11 ARG A 35 8.855 13.919 4.133 1.00 1.00 H new ATOM 0 HH12 ARG A 35 7.727 15.279 4.157 1.00 1.00 H new ATOM 0 HH21 ARG A 35 4.954 13.320 5.102 1.00 1.00 H new ATOM 0 HH22 ARG A 35 5.530 14.942 4.702 1.00 1.00 H new ATOM 502 N CYS A 36 11.095 7.488 2.728 1.00 1.00 N ATOM 503 CA CYS A 36 12.151 6.887 1.925 1.00 1.00 C ATOM 504 C CYS A 36 13.075 7.960 1.364 1.00 1.00 C ATOM 505 O CYS A 36 12.634 9.053 1.009 1.00 1.00 O ATOM 506 CB CYS A 36 11.540 6.070 0.790 1.00 1.00 C ATOM 507 SG CYS A 36 12.595 4.701 0.298 1.00 1.00 S ATOM 0 H CYS A 36 10.406 8.017 2.192 1.00 1.00 H new ATOM 0 HA CYS A 36 12.740 6.227 2.561 1.00 1.00 H new ATOM 0 HB2 CYS A 36 10.570 5.685 1.103 1.00 1.00 H new ATOM 0 HB3 CYS A 36 11.364 6.718 -0.069 1.00 1.00 H new ATOM 512 N ASP A 37 14.361 7.637 1.293 1.00 1.00 N ATOM 513 CA ASP A 37 15.364 8.562 0.782 1.00 1.00 C ATOM 514 C ASP A 37 15.068 8.923 -0.667 1.00 1.00 C ATOM 515 O ASP A 37 14.694 10.087 -0.926 1.00 0.00 O ATOM 516 CB ASP A 37 16.749 7.927 0.891 1.00 1.00 C ATOM 517 CG ASP A 37 17.369 8.246 2.245 1.00 1.00 C ATOM 518 OD1 ASP A 37 16.609 8.423 3.221 1.00 1.00 O ATOM 519 OD2 ASP A 37 18.613 8.317 2.329 1.00 1.00 O ATOM 520 OXT ASP A 37 15.209 8.042 -1.541 1.00 0.00 O ATOM 0 H ASP A 37 14.735 6.734 1.585 1.00 1.00 H new ATOM 0 HA ASP A 37 15.337 9.475 1.377 1.00 1.00 H new ATOM 0 HB2 ASP A 37 16.673 6.847 0.763 1.00 1.00 H new ATOM 0 HB3 ASP A 37 17.391 8.298 0.092 1.00 1.00 H new TER 525 ASP A 37