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 Single : A 1 SER N :NH3+ 149:sc= 0.0551 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0406 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.686! USER MOD Single : A 7 SER OG : rot -55:sc= 1.04 USER MOD Single : A 9 GLN :FLIP amide:sc= -0.415 F(o=-1.2,f=-0.42) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -3.94! C(o=-3.9!,f=-11!) USER MOD Single : A 16 ASN : amide:sc= -1.18 K(o=-1.2,f=-2!) USER MOD Single : A 19 SER OG : rot -110:sc= -0.309 USER MOD Single : A 20 GLN : amide:sc= -1.36 K(o=-1.4,f=-2.6!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.613! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -1.96 K(o=-2,f=-7.8!) USER MOD Single : A 29 ASN : amide:sc= -0.254 K(o=-0.25,f=-2.1!) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -155:sc=-0.000305 (180deg=-0.214) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.117 -1.223 -10.356 1.00 1.00 N ATOM 2 CA SER A 1 1.154 -1.765 -8.968 1.00 1.00 C ATOM 3 C SER A 1 2.587 -1.798 -8.456 1.00 1.00 C ATOM 4 O SER A 1 3.330 -2.745 -8.718 1.00 1.00 O ATOM 5 CB SER A 1 0.560 -3.169 -8.917 1.00 1.00 C ATOM 6 OG SER A 1 -0.689 -3.203 -9.595 1.00 1.00 O ATOM 0 H1 SER A 1 0.328 -1.657 -10.877 1.00 1.00 H new ATOM 0 H2 SER A 1 0.985 -0.192 -10.323 1.00 1.00 H new ATOM 0 H3 SER A 1 2.012 -1.442 -10.838 1.00 1.00 H new ATOM 0 HA SER A 1 0.557 -1.110 -8.333 1.00 1.00 H new ATOM 0 HB2 SER A 1 1.249 -3.879 -9.374 1.00 1.00 H new ATOM 0 HB3 SER A 1 0.427 -3.477 -7.880 1.00 1.00 H new ATOM 0 HG SER A 1 -1.058 -4.110 -9.556 1.00 1.00 H new ATOM 14 N PRO A 2 2.993 -0.756 -7.715 1.00 1.00 N ATOM 15 CA PRO A 2 4.347 -0.656 -7.158 1.00 1.00 C ATOM 16 C PRO A 2 4.519 -1.522 -5.914 1.00 1.00 C ATOM 17 O PRO A 2 3.543 -2.028 -5.359 1.00 1.00 O ATOM 18 CB PRO A 2 4.492 0.819 -6.814 1.00 1.00 C ATOM 19 CG PRO A 2 3.100 1.326 -6.607 1.00 1.00 C ATOM 20 CD PRO A 2 2.166 0.407 -7.363 1.00 1.00 C ATOM 0 HA PRO A 2 5.103 -1.009 -7.859 1.00 1.00 H new ATOM 0 HB2 PRO A 2 5.095 0.954 -5.916 1.00 1.00 H new ATOM 0 HB3 PRO A 2 4.991 1.361 -7.618 1.00 1.00 H new ATOM 0 HG2 PRO A 2 2.850 1.339 -5.546 1.00 1.00 H new ATOM 0 HG3 PRO A 2 3.007 2.350 -6.969 1.00 1.00 H new ATOM 0 HD2 PRO A 2 1.314 0.116 -6.749 1.00 1.00 H new ATOM 0 HD3 PRO A 2 1.766 0.893 -8.253 1.00 1.00 H new ATOM 28 N THR A 3 5.764 -1.688 -5.482 1.00 1.00 N ATOM 29 CA THR A 3 6.064 -2.493 -4.301 1.00 1.00 C ATOM 30 C THR A 3 6.859 -1.677 -3.290 1.00 1.00 C ATOM 31 O THR A 3 6.287 -1.027 -2.416 1.00 1.00 O ATOM 32 CB THR A 3 6.854 -3.736 -4.704 1.00 1.00 C ATOM 33 OG1 THR A 3 7.675 -4.159 -3.627 1.00 1.00 O ATOM 34 CG2 THR A 3 7.710 -3.458 -5.936 1.00 1.00 C ATOM 0 H THR A 3 6.582 -1.277 -5.931 1.00 1.00 H new ATOM 0 HA THR A 3 5.125 -2.800 -3.841 1.00 1.00 H new ATOM 0 HB THR A 3 6.147 -4.529 -4.949 1.00 1.00 H new ATOM 0 HG1 THR A 3 8.177 -4.958 -3.893 1.00 1.00 H new ATOM 0 HG21 THR A 3 8.264 -4.358 -6.205 1.00 1.00 H new ATOM 0 HG22 THR A 3 7.068 -3.165 -6.767 1.00 1.00 H new ATOM 0 HG23 THR A 3 8.411 -2.652 -5.718 1.00 1.00 H new ATOM 42 N CYS A 4 8.183 -1.717 -3.413 1.00 1.00 N ATOM 43 CA CYS A 4 9.056 -0.982 -2.510 1.00 1.00 C ATOM 44 C CYS A 4 8.583 0.458 -2.364 1.00 1.00 C ATOM 45 O CYS A 4 7.978 1.020 -3.278 1.00 1.00 O ATOM 46 CB CYS A 4 10.487 -1.011 -3.039 1.00 1.00 C ATOM 47 SG CYS A 4 10.668 -0.112 -4.589 1.00 1.00 S ATOM 0 H CYS A 4 8.673 -2.252 -4.130 1.00 1.00 H new ATOM 0 HA CYS A 4 9.025 -1.457 -1.529 1.00 1.00 H new ATOM 0 HB2 CYS A 4 11.155 -0.581 -2.293 1.00 1.00 H new ATOM 0 HB3 CYS A 4 10.796 -2.046 -3.185 1.00 1.00 H new ATOM 52 N ILE A 5 8.863 1.050 -1.210 1.00 1.00 N ATOM 53 CA ILE A 5 8.471 2.429 -0.934 1.00 1.00 C ATOM 54 C ILE A 5 9.446 3.387 -1.598 1.00 1.00 C ATOM 55 O ILE A 5 10.584 3.526 -1.162 1.00 1.00 O ATOM 56 CB ILE A 5 8.459 2.670 0.570 1.00 1.00 C ATOM 57 CG1 ILE A 5 7.365 1.838 1.236 1.00 1.00 C ATOM 58 CG2 ILE A 5 8.263 4.152 0.877 1.00 1.00 C ATOM 59 CD1 ILE A 5 7.902 0.483 1.689 1.00 1.00 C ATOM 0 H ILE A 5 9.363 0.595 -0.446 1.00 1.00 H new ATOM 0 HA ILE A 5 7.472 2.602 -1.334 1.00 1.00 H new ATOM 0 HB ILE A 5 9.423 2.361 0.973 1.00 1.00 H new ATOM 0 HG12 ILE A 5 6.964 2.379 2.093 1.00 1.00 H new ATOM 0 HG13 ILE A 5 6.541 1.691 0.538 1.00 1.00 H new ATOM 0 HG21 ILE A 5 8.257 4.302 1.957 1.00 1.00 H new ATOM 0 HG22 ILE A 5 9.077 4.726 0.435 1.00 1.00 H new ATOM 0 HG23 ILE A 5 7.314 4.488 0.459 1.00 1.00 H new ATOM 0 HD11 ILE A 5 7.101 -0.087 2.159 1.00 1.00 H new ATOM 0 HD12 ILE A 5 8.280 -0.066 0.826 1.00 1.00 H new ATOM 0 HD13 ILE A 5 8.710 0.633 2.405 1.00 1.00 H new ATOM 71 N PRO A 6 9.007 4.077 -2.658 1.00 1.00 N ATOM 72 CA PRO A 6 9.855 5.037 -3.379 1.00 1.00 C ATOM 73 C PRO A 6 10.187 6.258 -2.534 1.00 1.00 C ATOM 74 O PRO A 6 9.507 6.548 -1.556 1.00 1.00 O ATOM 75 CB PRO A 6 9.024 5.420 -4.597 1.00 1.00 C ATOM 76 CG PRO A 6 7.610 5.152 -4.202 1.00 1.00 C ATOM 77 CD PRO A 6 7.655 3.997 -3.233 1.00 1.00 C ATOM 0 HA PRO A 6 10.822 4.608 -3.642 1.00 1.00 H new ATOM 0 HB2 PRO A 6 9.168 6.468 -4.859 1.00 1.00 H new ATOM 0 HB3 PRO A 6 9.308 4.831 -5.469 1.00 1.00 H new ATOM 0 HG2 PRO A 6 7.162 6.031 -3.739 1.00 1.00 H new ATOM 0 HG3 PRO A 6 7.003 4.906 -5.073 1.00 1.00 H new ATOM 0 HD2 PRO A 6 6.887 4.089 -2.465 1.00 1.00 H new ATOM 0 HD3 PRO A 6 7.490 3.045 -3.737 1.00 1.00 H new ATOM 85 N SER A 7 11.246 6.958 -2.919 1.00 1.00 N ATOM 86 CA SER A 7 11.690 8.152 -2.200 1.00 1.00 C ATOM 87 C SER A 7 10.537 9.132 -2.006 1.00 1.00 C ATOM 88 O SER A 7 9.866 9.514 -2.965 1.00 1.00 O ATOM 89 CB SER A 7 12.817 8.830 -2.972 1.00 1.00 C ATOM 90 OG SER A 7 13.776 7.869 -3.391 1.00 1.00 O ATOM 0 H SER A 7 11.818 6.720 -3.729 1.00 1.00 H new ATOM 0 HA SER A 7 12.051 7.847 -1.218 1.00 1.00 H new ATOM 0 HB2 SER A 7 12.411 9.350 -3.839 1.00 1.00 H new ATOM 0 HB3 SER A 7 13.296 9.582 -2.344 1.00 1.00 H new ATOM 0 HG SER A 7 14.094 7.364 -2.614 1.00 1.00 H new ATOM 96 N GLY A 8 10.321 9.547 -0.758 1.00 1.00 N ATOM 97 CA GLY A 8 9.257 10.497 -0.435 1.00 1.00 C ATOM 98 C GLY A 8 8.078 9.808 0.243 1.00 1.00 C ATOM 99 O GLY A 8 7.303 10.445 0.958 1.00 1.00 O ATOM 0 H GLY A 8 10.869 9.240 0.046 1.00 1.00 H new ATOM 0 HA2 GLY A 8 9.650 11.276 0.219 1.00 1.00 H new ATOM 0 HA3 GLY A 8 8.917 10.988 -1.347 1.00 1.00 H new ATOM 103 N GLN A 9 7.944 8.508 0.013 1.00 1.00 N ATOM 104 CA GLN A 9 6.856 7.728 0.598 1.00 1.00 C ATOM 105 C GLN A 9 7.274 7.166 1.951 1.00 1.00 C ATOM 106 O GLN A 9 8.461 7.048 2.242 1.00 1.00 O ATOM 107 CB GLN A 9 6.473 6.588 -0.341 1.00 1.00 C ATOM 108 CG GLN A 9 5.073 6.789 -0.913 1.00 1.00 C ATOM 109 CD GLN A 9 5.120 7.732 -2.107 1.00 1.00 C ATOM 110 OE1 GLN A 9 5.141 7.167 -3.309 1.00 1.00 O flip ATOM 111 NE2 GLN A 9 5.138 8.953 -1.947 1.00 1.00 N flip ATOM 0 H GLN A 9 8.577 7.968 -0.577 1.00 1.00 H new ATOM 0 HA GLN A 9 5.995 8.381 0.741 1.00 1.00 H new ATOM 0 HB2 GLN A 9 7.195 6.526 -1.155 1.00 1.00 H new ATOM 0 HB3 GLN A 9 6.516 5.641 0.197 1.00 1.00 H new ATOM 0 HG2 GLN A 9 4.655 5.829 -1.216 1.00 1.00 H new ATOM 0 HG3 GLN A 9 4.414 7.196 -0.146 1.00 1.00 H new ATOM 0 HE21 GLN A 9 5.121 9.344 -1.005 1.00 1.00 H new ATOM 0 HE22 GLN A 9 5.170 9.573 -2.756 1.00 1.00 H new ATOM 120 N PRO A 10 6.296 6.817 2.798 1.00 1.00 N ATOM 121 CA PRO A 10 6.561 6.268 4.136 1.00 1.00 C ATOM 122 C PRO A 10 6.977 4.801 4.092 1.00 1.00 C ATOM 123 O PRO A 10 6.274 3.960 3.532 1.00 1.00 O ATOM 124 CB PRO A 10 5.236 6.433 4.867 1.00 1.00 C ATOM 125 CG PRO A 10 4.189 6.468 3.800 1.00 1.00 C ATOM 126 CD PRO A 10 4.855 6.932 2.525 1.00 1.00 C ATOM 0 HA PRO A 10 7.390 6.779 4.625 1.00 1.00 H new ATOM 0 HB2 PRO A 10 5.064 5.608 5.558 1.00 1.00 H new ATOM 0 HB3 PRO A 10 5.225 7.350 5.457 1.00 1.00 H new ATOM 0 HG2 PRO A 10 3.747 5.481 3.664 1.00 1.00 H new ATOM 0 HG3 PRO A 10 3.381 7.144 4.078 1.00 1.00 H new ATOM 0 HD2 PRO A 10 4.561 6.314 1.676 1.00 1.00 H new ATOM 0 HD3 PRO A 10 4.578 7.958 2.283 1.00 1.00 H new ATOM 134 N CYS A 11 8.128 4.503 4.691 1.00 1.00 N ATOM 135 CA CYS A 11 8.652 3.142 4.731 1.00 1.00 C ATOM 136 C CYS A 11 8.758 2.656 6.172 1.00 1.00 C ATOM 137 O CYS A 11 9.093 3.424 7.073 1.00 1.00 O ATOM 138 CB CYS A 11 10.028 3.099 4.073 1.00 1.00 C ATOM 139 SG CYS A 11 11.259 4.039 4.998 1.00 1.00 S ATOM 0 H CYS A 11 8.718 5.192 5.158 1.00 1.00 H new ATOM 0 HA CYS A 11 7.969 2.488 4.188 1.00 1.00 H new ATOM 0 HB2 CYS A 11 10.355 2.063 3.987 1.00 1.00 H new ATOM 0 HB3 CYS A 11 9.957 3.496 3.060 1.00 1.00 H new ATOM 144 N PRO A 12 8.471 1.365 6.406 1.00 1.00 N ATOM 145 CA PRO A 12 8.534 0.768 7.746 1.00 1.00 C ATOM 146 C PRO A 12 9.964 0.435 8.162 1.00 1.00 C ATOM 147 O PRO A 12 10.358 0.672 9.304 1.00 1.00 O ATOM 148 CB PRO A 12 7.698 -0.498 7.619 1.00 1.00 C ATOM 149 CG PRO A 12 7.733 -0.865 6.169 1.00 1.00 C ATOM 150 CD PRO A 12 8.064 0.388 5.387 1.00 1.00 C ATOM 0 HA PRO A 12 8.168 1.450 8.513 1.00 1.00 H new ATOM 0 HB2 PRO A 12 8.106 -1.299 8.235 1.00 1.00 H new ATOM 0 HB3 PRO A 12 6.675 -0.327 7.955 1.00 1.00 H new ATOM 0 HG2 PRO A 12 8.480 -1.638 5.988 1.00 1.00 H new ATOM 0 HG3 PRO A 12 6.772 -1.270 5.853 1.00 1.00 H new ATOM 0 HD2 PRO A 12 8.864 0.207 4.669 1.00 1.00 H new ATOM 0 HD3 PRO A 12 7.202 0.741 4.821 1.00 1.00 H new ATOM 158 N TYR A 13 10.737 -0.116 7.230 1.00 1.00 N ATOM 159 CA TYR A 13 12.127 -0.480 7.500 1.00 1.00 C ATOM 160 C TYR A 13 13.022 -0.048 6.349 1.00 1.00 C ATOM 161 O TYR A 13 12.559 0.117 5.220 1.00 1.00 O ATOM 162 CB TYR A 13 12.248 -1.988 7.694 1.00 1.00 C ATOM 163 CG TYR A 13 10.999 -2.615 8.258 1.00 1.00 C ATOM 164 CD1 TYR A 13 10.695 -2.469 9.599 1.00 1.00 C ATOM 165 CD2 TYR A 13 10.158 -3.341 7.433 1.00 1.00 C ATOM 166 CE1 TYR A 13 9.548 -3.048 10.116 1.00 1.00 C ATOM 167 CE2 TYR A 13 9.012 -3.920 7.951 1.00 1.00 C ATOM 168 CZ TYR A 13 8.714 -3.771 9.288 1.00 1.00 C ATOM 169 OH TYR A 13 7.574 -4.346 9.801 1.00 1.00 O ATOM 0 H TYR A 13 10.425 -0.321 6.281 1.00 1.00 H new ATOM 0 HA TYR A 13 12.443 0.029 8.410 1.00 1.00 H new ATOM 0 HB2 TYR A 13 12.480 -2.454 6.736 1.00 1.00 H new ATOM 0 HB3 TYR A 13 13.085 -2.196 8.361 1.00 1.00 H new ATOM 0 HD1 TYR A 13 11.352 -1.903 10.243 1.00 1.00 H new ATOM 0 HD2 TYR A 13 10.395 -3.456 6.386 1.00 1.00 H new ATOM 0 HE1 TYR A 13 9.307 -2.934 11.163 1.00 1.00 H new ATOM 0 HE2 TYR A 13 8.354 -4.487 7.309 1.00 1.00 H new ATOM 0 HH TYR A 13 7.097 -4.819 9.088 1.00 1.00 H new ATOM 179 N ASN A 14 14.309 0.118 6.634 1.00 1.00 N ATOM 180 CA ASN A 14 15.273 0.515 5.619 1.00 1.00 C ATOM 181 C ASN A 14 15.386 -0.571 4.553 1.00 1.00 C ATOM 182 O ASN A 14 15.981 -0.360 3.496 1.00 1.00 O ATOM 183 CB ASN A 14 16.639 0.754 6.258 1.00 1.00 C ATOM 184 CG ASN A 14 16.509 1.544 7.546 1.00 1.00 C ATOM 185 OD1 ASN A 14 15.408 1.802 8.031 1.00 1.00 O ATOM 186 ND2 ASN A 14 17.645 1.925 8.105 1.00 1.00 N ATOM 0 H ASN A 14 14.708 -0.017 7.563 1.00 1.00 H new ATOM 0 HA ASN A 14 14.931 1.439 5.153 1.00 1.00 H new ATOM 0 HB2 ASN A 14 17.121 -0.202 6.461 1.00 1.00 H new ATOM 0 HB3 ASN A 14 17.281 1.293 5.561 1.00 1.00 H new ATOM 0 HD21 ASN A 14 17.632 2.456 8.976 1.00 1.00 H new ATOM 0 HD22 ASN A 14 18.534 1.688 7.666 1.00 1.00 H new ATOM 193 N GLU A 15 14.817 -1.739 4.846 1.00 1.00 N ATOM 194 CA GLU A 15 14.856 -2.872 3.926 1.00 1.00 C ATOM 195 C GLU A 15 13.681 -2.833 2.958 1.00 1.00 C ATOM 196 O GLU A 15 13.763 -3.363 1.850 1.00 1.00 O ATOM 197 CB GLU A 15 14.818 -4.174 4.719 1.00 1.00 C ATOM 198 CG GLU A 15 15.839 -5.173 4.188 1.00 1.00 C ATOM 199 CD GLU A 15 15.140 -6.270 3.396 1.00 1.00 C ATOM 200 OE1 GLU A 15 14.243 -6.932 3.960 1.00 1.00 O ATOM 201 OE2 GLU A 15 15.490 -6.466 2.213 1.00 1.00 O ATOM 0 H GLU A 15 14.321 -1.925 5.718 1.00 1.00 H new ATOM 0 HA GLU A 15 15.779 -2.814 3.349 1.00 1.00 H new ATOM 0 HB2 GLU A 15 15.019 -3.968 5.770 1.00 1.00 H new ATOM 0 HB3 GLU A 15 13.819 -4.607 4.664 1.00 1.00 H new ATOM 0 HG2 GLU A 15 16.563 -4.662 3.554 1.00 1.00 H new ATOM 0 HG3 GLU A 15 16.395 -5.611 5.017 1.00 1.00 H new ATOM 208 N ASN A 16 12.585 -2.215 3.381 1.00 1.00 N ATOM 209 CA ASN A 16 11.391 -2.128 2.546 1.00 1.00 C ATOM 210 C ASN A 16 11.412 -0.866 1.693 1.00 1.00 C ATOM 211 O ASN A 16 10.399 -0.495 1.101 1.00 1.00 O ATOM 212 CB ASN A 16 10.142 -2.142 3.421 1.00 1.00 C ATOM 213 CG ASN A 16 8.979 -2.778 2.671 1.00 1.00 C ATOM 214 OD1 ASN A 16 9.172 -3.680 1.855 1.00 1.00 O ATOM 215 ND2 ASN A 16 7.767 -2.310 2.947 1.00 1.00 N ATOM 0 H ASN A 16 12.497 -1.768 4.294 1.00 1.00 H new ATOM 0 HA ASN A 16 11.376 -2.991 1.880 1.00 1.00 H new ATOM 0 HB2 ASN A 16 10.339 -2.696 4.339 1.00 1.00 H new ATOM 0 HB3 ASN A 16 9.883 -1.124 3.713 1.00 1.00 H new ATOM 0 HD21 ASN A 16 6.950 -2.699 2.476 1.00 1.00 H new ATOM 0 HD22 ASN A 16 7.653 -1.561 3.630 1.00 1.00 H new ATOM 222 N CYS A 17 12.564 -0.208 1.628 1.00 1.00 N ATOM 223 CA CYS A 17 12.701 1.012 0.837 1.00 1.00 C ATOM 224 C CYS A 17 13.182 0.682 -0.568 1.00 1.00 C ATOM 225 O CYS A 17 13.961 -0.250 -0.765 1.00 1.00 O ATOM 226 CB CYS A 17 13.684 1.968 1.504 1.00 1.00 C ATOM 227 SG CYS A 17 12.900 3.511 1.999 1.00 1.00 S ATOM 0 H CYS A 17 13.415 -0.497 2.111 1.00 1.00 H new ATOM 0 HA CYS A 17 11.724 1.491 0.774 1.00 1.00 H new ATOM 0 HB2 CYS A 17 14.120 1.486 2.379 1.00 1.00 H new ATOM 0 HB3 CYS A 17 14.503 2.182 0.817 1.00 1.00 H new ATOM 232 N CYS A 18 12.726 1.461 -1.544 1.00 1.00 N ATOM 233 CA CYS A 18 13.124 1.256 -2.926 1.00 1.00 C ATOM 234 C CYS A 18 14.628 1.441 -3.044 1.00 1.00 C ATOM 235 O CYS A 18 15.303 0.724 -3.783 1.00 1.00 O ATOM 236 CB CYS A 18 12.397 2.249 -3.825 1.00 1.00 C ATOM 237 SG CYS A 18 10.657 1.834 -4.044 1.00 1.00 S ATOM 0 H CYS A 18 12.081 2.238 -1.400 1.00 1.00 H new ATOM 0 HA CYS A 18 12.860 0.246 -3.240 1.00 1.00 H new ATOM 0 HB2 CYS A 18 12.478 3.248 -3.397 1.00 1.00 H new ATOM 0 HB3 CYS A 18 12.886 2.278 -4.799 1.00 1.00 H new ATOM 242 N SER A 19 15.142 2.407 -2.293 1.00 1.00 N ATOM 243 CA SER A 19 16.565 2.708 -2.276 1.00 1.00 C ATOM 244 C SER A 19 17.260 1.934 -1.159 1.00 1.00 C ATOM 245 O SER A 19 18.483 1.973 -1.036 1.00 1.00 O ATOM 246 CB SER A 19 16.775 4.201 -2.066 1.00 1.00 C ATOM 247 OG SER A 19 16.877 4.489 -0.677 1.00 1.00 O ATOM 0 H SER A 19 14.584 3.002 -1.680 1.00 1.00 H new ATOM 0 HA SER A 19 16.994 2.411 -3.233 1.00 1.00 H new ATOM 0 HB2 SER A 19 17.680 4.525 -2.580 1.00 1.00 H new ATOM 0 HB3 SER A 19 15.945 4.758 -2.501 1.00 1.00 H new ATOM 0 HG SER A 19 16.080 4.979 -0.385 1.00 1.00 H new ATOM 253 N GLN A 20 16.467 1.240 -0.342 1.00 1.00 N ATOM 254 CA GLN A 20 16.996 0.461 0.775 1.00 1.00 C ATOM 255 C GLN A 20 17.465 1.378 1.899 1.00 1.00 C ATOM 256 O GLN A 20 18.071 0.920 2.868 1.00 1.00 O ATOM 257 CB GLN A 20 18.150 -0.425 0.308 1.00 1.00 C ATOM 258 CG GLN A 20 17.704 -1.375 -0.798 1.00 1.00 C ATOM 259 CD GLN A 20 16.516 -2.204 -0.329 1.00 1.00 C ATOM 260 OE1 GLN A 20 15.453 -2.191 -0.948 1.00 1.00 O ATOM 261 NE2 GLN A 20 16.697 -2.926 0.771 1.00 1.00 N ATOM 0 H GLN A 20 15.452 1.202 -0.435 1.00 1.00 H new ATOM 0 HA GLN A 20 16.195 -0.173 1.155 1.00 1.00 H new ATOM 0 HB2 GLN A 20 18.968 0.199 -0.053 1.00 1.00 H new ATOM 0 HB3 GLN A 20 18.535 -0.999 1.151 1.00 1.00 H new ATOM 0 HG2 GLN A 20 17.432 -0.807 -1.688 1.00 1.00 H new ATOM 0 HG3 GLN A 20 18.528 -2.032 -1.078 1.00 1.00 H new ATOM 0 HE21 GLN A 20 17.596 -2.906 1.252 1.00 1.00 H new ATOM 0 HE22 GLN A 20 15.937 -3.500 1.135 1.00 1.00 H new ATOM 270 N SER A 21 17.185 2.673 1.770 1.00 1.00 N ATOM 271 CA SER A 21 17.588 3.643 2.783 1.00 1.00 C ATOM 272 C SER A 21 16.373 4.378 3.342 1.00 1.00 C ATOM 273 O SER A 21 15.776 5.207 2.659 1.00 1.00 O ATOM 274 CB SER A 21 18.562 4.645 2.178 1.00 1.00 C ATOM 275 OG SER A 21 19.902 4.215 2.375 1.00 1.00 O ATOM 0 H SER A 21 16.683 3.073 0.977 1.00 1.00 H new ATOM 0 HA SER A 21 18.075 3.109 3.599 1.00 1.00 H new ATOM 0 HB2 SER A 21 18.363 4.758 1.112 1.00 1.00 H new ATOM 0 HB3 SER A 21 18.417 5.624 2.635 1.00 1.00 H new ATOM 0 HG SER A 21 20.517 4.868 1.979 1.00 1.00 H new ATOM 281 N CYS A 22 16.019 4.081 4.590 1.00 1.00 N ATOM 282 CA CYS A 22 14.882 4.726 5.240 1.00 1.00 C ATOM 283 C CYS A 22 15.372 5.840 6.161 1.00 1.00 C ATOM 284 O CYS A 22 16.485 5.778 6.684 1.00 1.00 O ATOM 285 CB CYS A 22 14.087 3.702 6.046 1.00 1.00 C ATOM 286 SG CYS A 22 12.870 2.822 5.050 1.00 1.00 S ATOM 0 H CYS A 22 16.504 3.397 5.171 1.00 1.00 H new ATOM 0 HA CYS A 22 14.235 5.153 4.474 1.00 1.00 H new ATOM 0 HB2 CYS A 22 14.775 2.983 6.490 1.00 1.00 H new ATOM 0 HB3 CYS A 22 13.580 4.208 6.868 1.00 1.00 H new ATOM 291 N THR A 23 14.539 6.856 6.355 1.00 1.00 N ATOM 292 CA THR A 23 14.891 7.984 7.212 1.00 1.00 C ATOM 293 C THR A 23 13.674 8.441 8.009 1.00 1.00 C ATOM 294 O THR A 23 12.576 7.920 7.828 1.00 1.00 O ATOM 295 CB THR A 23 15.422 9.134 6.358 1.00 1.00 C ATOM 296 OG1 THR A 23 15.387 10.348 7.091 1.00 1.00 O ATOM 297 CG2 THR A 23 14.609 9.276 5.075 1.00 1.00 C ATOM 0 H THR A 23 13.614 6.923 5.930 1.00 1.00 H new ATOM 0 HA THR A 23 15.666 7.670 7.911 1.00 1.00 H new ATOM 0 HB THR A 23 16.455 8.910 6.090 1.00 1.00 H new ATOM 0 HG1 THR A 23 15.731 11.077 6.534 1.00 1.00 H new ATOM 0 HG21 THR A 23 15.005 10.101 4.483 1.00 1.00 H new ATOM 0 HG22 THR A 23 14.673 8.353 4.500 1.00 1.00 H new ATOM 0 HG23 THR A 23 13.567 9.476 5.325 1.00 1.00 H new ATOM 305 N PHE A 24 13.874 9.413 8.894 1.00 1.00 N ATOM 306 CA PHE A 24 12.787 9.937 9.718 1.00 1.00 C ATOM 307 C PHE A 24 12.573 11.420 9.431 1.00 1.00 C ATOM 308 O PHE A 24 13.462 12.239 9.659 1.00 1.00 O ATOM 309 CB PHE A 24 13.118 9.743 11.195 1.00 1.00 C ATOM 310 CG PHE A 24 12.187 8.788 11.897 1.00 1.00 C ATOM 311 CD1 PHE A 24 10.880 9.162 12.164 1.00 1.00 C ATOM 312 CD2 PHE A 24 12.639 7.537 12.283 1.00 1.00 C ATOM 313 CE1 PHE A 24 10.026 8.287 12.814 1.00 1.00 C ATOM 314 CE2 PHE A 24 11.785 6.662 12.935 1.00 1.00 C ATOM 315 CZ PHE A 24 10.478 7.038 13.200 1.00 1.00 C ATOM 0 H PHE A 24 14.778 9.854 9.060 1.00 1.00 H new ATOM 0 HA PHE A 24 11.872 9.395 9.477 1.00 1.00 H new ATOM 0 HB2 PHE A 24 14.140 9.375 11.285 1.00 1.00 H new ATOM 0 HB3 PHE A 24 13.082 10.709 11.698 1.00 1.00 H new ATOM 0 HD1 PHE A 24 10.527 10.138 11.865 1.00 1.00 H new ATOM 0 HD2 PHE A 24 13.657 7.243 12.076 1.00 1.00 H new ATOM 0 HE1 PHE A 24 9.007 8.580 13.020 1.00 1.00 H new ATOM 0 HE2 PHE A 24 12.138 5.687 13.237 1.00 1.00 H new ATOM 0 HZ PHE A 24 9.812 6.356 13.708 1.00 1.00 H new ATOM 325 N LYS A 25 11.386 11.760 8.938 1.00 1.00 N ATOM 326 CA LYS A 25 11.053 13.147 8.627 1.00 1.00 C ATOM 327 C LYS A 25 9.881 13.606 9.486 1.00 1.00 C ATOM 328 O LYS A 25 8.955 12.839 9.747 1.00 1.00 O ATOM 329 CB LYS A 25 10.701 13.283 7.150 1.00 1.00 C ATOM 330 CG LYS A 25 11.443 14.454 6.511 1.00 1.00 C ATOM 331 CD LYS A 25 10.654 15.752 6.656 1.00 1.00 C ATOM 332 CE LYS A 25 11.207 16.840 5.740 1.00 1.00 C ATOM 333 NZ LYS A 25 10.283 17.108 4.600 1.00 1.00 N ATOM 0 H LYS A 25 10.638 11.094 8.745 1.00 1.00 H new ATOM 0 HA LYS A 25 11.918 13.774 8.842 1.00 1.00 H new ATOM 0 HB2 LYS A 25 10.953 12.360 6.627 1.00 1.00 H new ATOM 0 HB3 LYS A 25 9.626 13.427 7.041 1.00 1.00 H new ATOM 0 HG2 LYS A 25 12.422 14.566 6.978 1.00 1.00 H new ATOM 0 HG3 LYS A 25 11.615 14.246 5.455 1.00 1.00 H new ATOM 0 HD2 LYS A 25 9.606 15.572 6.419 1.00 1.00 H new ATOM 0 HD3 LYS A 25 10.693 16.090 7.691 1.00 1.00 H new ATOM 0 HE2 LYS A 25 11.360 17.756 6.311 1.00 1.00 H new ATOM 0 HE3 LYS A 25 12.182 16.536 5.358 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 10.685 17.852 3.995 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 10.157 16.239 4.043 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 9.361 17.421 4.966 1.00 1.00 H new ATOM 347 N GLU A 26 9.930 14.857 9.928 1.00 1.00 N ATOM 348 CA GLU A 26 8.876 15.413 10.766 1.00 1.00 C ATOM 349 C GLU A 26 7.790 16.058 9.917 1.00 1.00 C ATOM 350 O GLU A 26 8.077 16.750 8.939 1.00 1.00 O ATOM 351 CB GLU A 26 9.463 16.445 11.725 1.00 1.00 C ATOM 352 CG GLU A 26 8.400 16.976 12.682 1.00 1.00 C ATOM 353 CD GLU A 26 8.662 18.443 12.998 1.00 1.00 C ATOM 354 OE1 GLU A 26 9.846 18.832 13.075 1.00 1.00 O ATOM 355 OE2 GLU A 26 7.683 19.199 13.169 1.00 1.00 O ATOM 0 H GLU A 26 10.689 15.506 9.720 1.00 1.00 H new ATOM 0 HA GLU A 26 8.429 14.600 11.338 1.00 1.00 H new ATOM 0 HB2 GLU A 26 10.276 15.995 12.294 1.00 1.00 H new ATOM 0 HB3 GLU A 26 9.890 17.271 11.157 1.00 1.00 H new ATOM 0 HG2 GLU A 26 7.411 16.863 12.237 1.00 1.00 H new ATOM 0 HG3 GLU A 26 8.404 16.392 13.602 1.00 1.00 H new ATOM 362 N ASN A 27 6.537 15.827 10.300 1.00 1.00 N ATOM 363 CA ASN A 27 5.396 16.383 9.583 1.00 1.00 C ATOM 364 C ASN A 27 4.998 17.722 10.186 1.00 1.00 C ATOM 365 O ASN A 27 5.711 18.277 11.023 1.00 1.00 O ATOM 366 CB ASN A 27 4.201 15.431 9.648 1.00 1.00 C ATOM 367 CG ASN A 27 4.616 14.054 10.157 1.00 1.00 C ATOM 368 OD1 ASN A 27 5.516 13.422 9.604 1.00 1.00 O ATOM 369 ND2 ASN A 27 3.956 13.593 11.211 1.00 1.00 N ATOM 0 H ASN A 27 6.287 15.256 11.107 1.00 1.00 H new ATOM 0 HA ASN A 27 5.687 16.522 8.542 1.00 1.00 H new ATOM 0 HB2 ASN A 27 3.436 15.848 10.303 1.00 1.00 H new ATOM 0 HB3 ASN A 27 3.755 15.336 8.658 1.00 1.00 H new ATOM 0 HD21 ASN A 27 4.187 12.678 11.597 1.00 1.00 H new ATOM 0 HD22 ASN A 27 3.217 14.154 11.635 1.00 1.00 H new ATOM 376 N GLU A 28 3.847 18.229 9.762 1.00 1.00 N ATOM 377 CA GLU A 28 3.333 19.494 10.259 1.00 1.00 C ATOM 378 C GLU A 28 2.446 19.255 11.473 1.00 1.00 C ATOM 379 O GLU A 28 2.170 20.173 12.244 1.00 1.00 O ATOM 380 CB GLU A 28 2.543 20.207 9.167 1.00 1.00 C ATOM 381 CG GLU A 28 2.246 21.654 9.555 1.00 1.00 C ATOM 382 CD GLU A 28 0.762 21.828 9.849 1.00 1.00 C ATOM 383 OE1 GLU A 28 -0.060 21.167 9.182 1.00 1.00 O ATOM 384 OE2 GLU A 28 0.424 22.629 10.747 1.00 1.00 O ATOM 0 H GLU A 28 3.250 17.777 9.070 1.00 1.00 H new ATOM 0 HA GLU A 28 4.173 20.124 10.552 1.00 1.00 H new ATOM 0 HB2 GLU A 28 3.107 20.186 8.234 1.00 1.00 H new ATOM 0 HB3 GLU A 28 1.608 19.677 8.986 1.00 1.00 H new ATOM 0 HG2 GLU A 28 2.832 21.930 10.431 1.00 1.00 H new ATOM 0 HG3 GLU A 28 2.545 22.323 8.748 1.00 1.00 H new ATOM 391 N ASN A 29 2.003 18.011 11.638 1.00 1.00 N ATOM 392 CA ASN A 29 1.147 17.645 12.759 1.00 1.00 C ATOM 393 C ASN A 29 1.934 17.711 14.061 1.00 1.00 C ATOM 394 O ASN A 29 1.358 17.681 15.149 1.00 1.00 O ATOM 395 CB ASN A 29 0.595 16.238 12.554 1.00 1.00 C ATOM 396 CG ASN A 29 -0.719 16.072 13.307 1.00 1.00 C ATOM 397 OD1 ASN A 29 -1.450 17.038 13.520 1.00 1.00 O ATOM 398 ND2 ASN A 29 -1.019 14.843 13.711 1.00 1.00 N ATOM 0 H ASN A 29 2.224 17.240 11.008 1.00 1.00 H new ATOM 0 HA ASN A 29 0.316 18.348 12.814 1.00 1.00 H new ATOM 0 HB2 ASN A 29 0.439 16.052 11.491 1.00 1.00 H new ATOM 0 HB3 ASN A 29 1.318 15.501 12.904 1.00 1.00 H new ATOM 0 HD21 ASN A 29 -1.886 14.671 14.220 1.00 1.00 H new ATOM 0 HD22 ASN A 29 -0.383 14.071 13.512 1.00 1.00 H new ATOM 405 N GLY A 30 3.256 17.804 13.943 1.00 1.00 N ATOM 406 CA GLY A 30 4.125 17.876 15.107 1.00 1.00 C ATOM 407 C GLY A 30 4.653 16.497 15.470 1.00 1.00 C ATOM 408 O GLY A 30 5.178 16.289 16.564 1.00 1.00 O ATOM 0 H GLY A 30 3.747 17.831 13.049 1.00 1.00 H new ATOM 0 HA2 GLY A 30 4.959 18.548 14.904 1.00 1.00 H new ATOM 0 HA3 GLY A 30 3.577 18.295 15.951 1.00 1.00 H new ATOM 412 N ASN A 31 4.513 15.554 14.545 1.00 1.00 N ATOM 413 CA ASN A 31 4.975 14.192 14.761 1.00 1.00 C ATOM 414 C ASN A 31 6.150 13.889 13.845 1.00 1.00 C ATOM 415 O ASN A 31 6.587 14.749 13.081 1.00 1.00 O ATOM 416 CB ASN A 31 3.838 13.216 14.485 1.00 1.00 C ATOM 417 CG ASN A 31 2.949 13.076 15.713 1.00 1.00 C ATOM 418 OD1 ASN A 31 3.155 12.192 16.544 1.00 1.00 O ATOM 419 ND2 ASN A 31 1.956 13.951 15.829 1.00 1.00 N ATOM 0 H ASN A 31 4.081 15.711 13.635 1.00 1.00 H new ATOM 0 HA ASN A 31 5.298 14.085 15.796 1.00 1.00 H new ATOM 0 HB2 ASN A 31 3.247 13.566 13.638 1.00 1.00 H new ATOM 0 HB3 ASN A 31 4.244 12.243 14.209 1.00 1.00 H new ATOM 0 HD21 ASN A 31 1.328 13.906 16.631 1.00 1.00 H new ATOM 0 HD22 ASN A 31 1.822 14.668 15.116 1.00 1.00 H new ATOM 426 N THR A 32 6.658 12.665 13.918 1.00 1.00 N ATOM 427 CA THR A 32 7.781 12.258 13.081 1.00 1.00 C ATOM 428 C THR A 32 7.587 10.826 12.597 1.00 1.00 C ATOM 429 O THR A 32 7.421 9.907 13.398 1.00 1.00 O ATOM 430 CB THR A 32 9.097 12.397 13.852 1.00 1.00 C ATOM 431 OG1 THR A 32 10.154 12.690 12.952 1.00 1.00 O ATOM 432 CG2 THR A 32 9.426 11.126 14.637 1.00 1.00 C ATOM 0 H THR A 32 6.312 11.939 14.545 1.00 1.00 H new ATOM 0 HA THR A 32 7.825 12.912 12.210 1.00 1.00 H new ATOM 0 HB THR A 32 8.982 13.213 14.565 1.00 1.00 H new ATOM 0 HG1 THR A 32 10.993 12.779 13.451 1.00 1.00 H new ATOM 0 HG21 THR A 32 10.366 11.262 15.171 1.00 1.00 H new ATOM 0 HG22 THR A 32 8.628 10.923 15.352 1.00 1.00 H new ATOM 0 HG23 THR A 32 9.518 10.286 13.948 1.00 1.00 H new ATOM 440 N VAL A 33 7.614 10.644 11.283 1.00 1.00 N ATOM 441 CA VAL A 33 7.448 9.325 10.687 1.00 1.00 C ATOM 442 C VAL A 33 8.705 8.954 9.919 1.00 1.00 C ATOM 443 O VAL A 33 9.693 9.680 9.951 1.00 1.00 O ATOM 444 CB VAL A 33 6.241 9.316 9.752 1.00 1.00 C ATOM 445 CG1 VAL A 33 5.643 7.916 9.660 1.00 1.00 C ATOM 446 CG2 VAL A 33 5.187 10.314 10.227 1.00 1.00 C ATOM 0 H VAL A 33 7.750 11.396 10.608 1.00 1.00 H new ATOM 0 HA VAL A 33 7.280 8.594 11.478 1.00 1.00 H new ATOM 0 HB VAL A 33 6.577 9.614 8.759 1.00 1.00 H new ATOM 0 HG11 VAL A 33 4.784 7.931 8.989 1.00 1.00 H new ATOM 0 HG12 VAL A 33 6.393 7.225 9.275 1.00 1.00 H new ATOM 0 HG13 VAL A 33 5.324 7.591 10.650 1.00 1.00 H new ATOM 0 HG21 VAL A 33 4.334 10.293 9.548 1.00 1.00 H new ATOM 0 HG22 VAL A 33 4.858 10.046 11.231 1.00 1.00 H new ATOM 0 HG23 VAL A 33 5.615 11.316 10.241 1.00 1.00 H new ATOM 456 N LYS A 34 8.667 7.823 9.229 1.00 1.00 N ATOM 457 CA LYS A 34 9.815 7.372 8.456 1.00 1.00 C ATOM 458 C LYS A 34 9.461 7.310 6.975 1.00 1.00 C ATOM 459 O LYS A 34 8.479 6.678 6.591 1.00 1.00 O ATOM 460 CB LYS A 34 10.256 5.999 8.945 1.00 1.00 C ATOM 461 CG LYS A 34 11.310 6.122 10.039 1.00 1.00 C ATOM 462 CD LYS A 34 11.433 4.826 10.836 1.00 1.00 C ATOM 463 CE LYS A 34 10.191 4.585 11.690 1.00 1.00 C ATOM 464 NZ LYS A 34 9.380 3.453 11.158 1.00 1.00 N ATOM 0 H LYS A 34 7.858 7.204 9.189 1.00 1.00 H new ATOM 0 HA LYS A 34 10.633 8.080 8.590 1.00 1.00 H new ATOM 0 HB2 LYS A 34 9.394 5.450 9.325 1.00 1.00 H new ATOM 0 HB3 LYS A 34 10.658 5.424 8.111 1.00 1.00 H new ATOM 0 HG2 LYS A 34 12.273 6.371 9.593 1.00 1.00 H new ATOM 0 HG3 LYS A 34 11.048 6.941 10.709 1.00 1.00 H new ATOM 0 HD2 LYS A 34 11.577 3.988 10.154 1.00 1.00 H new ATOM 0 HD3 LYS A 34 12.315 4.871 11.476 1.00 1.00 H new ATOM 0 HE2 LYS A 34 10.489 4.371 12.717 1.00 1.00 H new ATOM 0 HE3 LYS A 34 9.584 5.490 11.716 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 8.390 3.566 11.454 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 9.432 3.447 10.119 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 9.752 2.555 11.529 1.00 1.00 H new ATOM 478 N ARG A 35 10.266 7.972 6.150 1.00 1.00 N ATOM 479 CA ARG A 35 10.044 7.991 4.709 1.00 1.00 C ATOM 480 C ARG A 35 11.189 7.283 3.998 1.00 1.00 C ATOM 481 O ARG A 35 12.027 6.647 4.634 1.00 1.00 O ATOM 482 CB ARG A 35 9.936 9.434 4.221 1.00 1.00 C ATOM 483 CG ARG A 35 8.570 10.029 4.555 1.00 1.00 C ATOM 484 CD ARG A 35 8.673 11.524 4.838 1.00 1.00 C ATOM 485 NE ARG A 35 7.526 11.971 5.621 1.00 1.00 N ATOM 486 CZ ARG A 35 7.316 13.257 5.882 1.00 1.00 C ATOM 487 NH1 ARG A 35 8.117 14.180 5.369 1.00 1.00 N ATOM 488 NH2 ARG A 35 6.304 13.622 6.659 1.00 1.00 N ATOM 0 H ARG A 35 11.081 8.504 6.456 1.00 1.00 H new ATOM 0 HA ARG A 35 9.113 7.470 4.484 1.00 1.00 H new ATOM 0 HB2 ARG A 35 10.720 10.036 4.681 1.00 1.00 H new ATOM 0 HB3 ARG A 35 10.097 9.469 3.144 1.00 1.00 H new ATOM 0 HG2 ARG A 35 7.884 9.860 3.725 1.00 1.00 H new ATOM 0 HG3 ARG A 35 8.151 9.520 5.423 1.00 1.00 H new ATOM 0 HD2 ARG A 35 9.596 11.736 5.378 1.00 1.00 H new ATOM 0 HD3 ARG A 35 8.719 12.076 3.899 1.00 1.00 H new ATOM 0 HE ARG A 35 6.868 11.278 5.978 1.00 1.00 H new ATOM 0 HH11 ARG A 35 8.897 13.904 4.772 1.00 1.00 H new ATOM 0 HH12 ARG A 35 7.954 15.166 5.571 1.00 1.00 H new ATOM 0 HH21 ARG A 35 5.686 12.915 7.057 1.00 1.00 H new ATOM 0 HH22 ARG A 35 6.144 14.610 6.858 1.00 1.00 H new ATOM 502 N CYS A 36 11.219 7.389 2.675 1.00 1.00 N ATOM 503 CA CYS A 36 12.264 6.752 1.884 1.00 1.00 C ATOM 504 C CYS A 36 13.217 7.797 1.322 1.00 1.00 C ATOM 505 O CYS A 36 12.820 8.925 1.029 1.00 1.00 O ATOM 506 CB CYS A 36 11.644 5.942 0.752 1.00 1.00 C ATOM 507 SG CYS A 36 12.675 4.544 0.278 1.00 1.00 S ATOM 0 H CYS A 36 10.533 7.909 2.128 1.00 1.00 H new ATOM 0 HA CYS A 36 12.829 6.080 2.530 1.00 1.00 H new ATOM 0 HB2 CYS A 36 10.663 5.581 1.060 1.00 1.00 H new ATOM 0 HB3 CYS A 36 11.489 6.587 -0.113 1.00 1.00 H new ATOM 512 N ASP A 37 14.479 7.412 1.180 1.00 1.00 N ATOM 513 CA ASP A 37 15.508 8.304 0.661 1.00 1.00 C ATOM 514 C ASP A 37 15.304 8.543 -0.830 1.00 1.00 C ATOM 515 O ASP A 37 15.063 9.705 -1.219 1.00 0.00 O ATOM 516 CB ASP A 37 16.887 7.698 0.909 1.00 1.00 C ATOM 517 CG ASP A 37 17.425 8.145 2.262 1.00 1.00 C ATOM 518 OD1 ASP A 37 16.618 8.590 3.105 1.00 1.00 O ATOM 519 OD2 ASP A 37 18.651 8.046 2.477 1.00 1.00 O ATOM 520 OXT ASP A 37 15.385 7.567 -1.604 1.00 0.00 O ATOM 0 H ASP A 37 14.816 6.480 1.419 1.00 1.00 H new ATOM 0 HA ASP A 37 15.437 9.261 1.178 1.00 1.00 H new ATOM 0 HB2 ASP A 37 16.825 6.610 0.876 1.00 1.00 H new ATOM 0 HB3 ASP A 37 17.573 8.002 0.119 1.00 1.00 H new TER 525 ASP A 37