USER MOD reduce.3.24.130724 H: found=0, std=0, add=133, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 132 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 3 CYS SG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot -48:sc= -3.58! USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 11 HIS :FLIP no HD1:sc= -1.6 F(o=-2.1,f=-1.6) USER MOD Single : A 13 ASN : amide:sc= -2.16! C(o=-2.2!,f=-3.2!) USER MOD Single : A 15 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.507) USER MOD ----------------------------------------------------------------- ATOM 15 N PRO A 2 -7.897 -4.392 -1.987 1.00 1.00 N ATOM 16 CA PRO A 2 -8.446 -3.800 -0.762 1.00 1.00 C ATOM 17 C PRO A 2 -7.357 -3.232 0.141 1.00 1.00 C ATOM 18 O PRO A 2 -7.526 -2.170 0.737 1.00 1.00 O ATOM 19 CB PRO A 2 -9.150 -4.974 -0.081 1.00 1.00 C ATOM 20 CG PRO A 2 -8.448 -6.186 -0.591 1.00 1.00 C ATOM 21 CD PRO A 2 -8.032 -5.861 -1.999 1.00 1.00 C ATOM 0 HA PRO A 2 -9.107 -2.960 -0.975 1.00 1.00 H new ATOM 0 HB2 PRO A 2 -9.078 -4.903 1.004 1.00 1.00 H new ATOM 0 HB3 PRO A 2 -10.211 -4.997 -0.330 1.00 1.00 H new ATOM 0 HG2 PRO A 2 -7.582 -6.424 0.027 1.00 1.00 H new ATOM 0 HG3 PRO A 2 -9.105 -7.056 -0.569 1.00 1.00 H new ATOM 0 HD2 PRO A 2 -7.093 -6.348 -2.263 1.00 1.00 H new ATOM 0 HD3 PRO A 2 -8.777 -6.190 -2.724 1.00 1.00 H new ATOM 29 N CYS A 3 -6.235 -3.942 0.231 1.00 1.00 N ATOM 30 CA CYS A 3 -5.112 -3.504 1.055 1.00 1.00 C ATOM 31 C CYS A 3 -4.793 -2.039 0.793 1.00 1.00 C ATOM 32 O CYS A 3 -4.925 -1.182 1.678 1.00 1.00 O ATOM 33 CB CYS A 3 -3.880 -4.361 0.754 1.00 1.00 C ATOM 34 SG CYS A 3 -2.457 -4.049 1.848 1.00 1.00 S ATOM 0 H CYS A 3 -6.080 -4.824 -0.257 1.00 1.00 H new ATOM 0 HA CYS A 3 -5.388 -3.619 2.103 1.00 1.00 H new ATOM 0 HB2 CYS A 3 -4.157 -5.412 0.830 1.00 1.00 H new ATOM 0 HB3 CYS A 3 -3.574 -4.186 -0.278 1.00 1.00 H new ATOM 0 HG CYS A 3 -1.471 -4.826 1.510 1.00 1.00 H new ATOM 39 N TYR A 4 -4.389 -1.749 -0.436 1.00 1.00 N ATOM 40 CA TYR A 4 -4.069 -0.390 -0.822 1.00 1.00 C ATOM 41 C TYR A 4 -5.218 0.533 -0.476 1.00 1.00 C ATOM 42 O TYR A 4 -5.051 1.487 0.272 1.00 1.00 O ATOM 43 CB TYR A 4 -3.785 -0.308 -2.313 1.00 1.00 C ATOM 44 CG TYR A 4 -3.106 0.982 -2.705 1.00 1.00 C ATOM 45 CD1 TYR A 4 -2.094 1.517 -1.918 1.00 1.00 C ATOM 46 CD2 TYR A 4 -3.487 1.677 -3.846 1.00 1.00 C ATOM 47 CE1 TYR A 4 -1.479 2.705 -2.255 1.00 1.00 C ATOM 48 CE2 TYR A 4 -2.874 2.865 -4.192 1.00 1.00 C ATOM 49 CZ TYR A 4 -1.871 3.374 -3.391 1.00 1.00 C ATOM 50 OH TYR A 4 -1.265 4.561 -3.734 1.00 1.00 O ATOM 0 H TYR A 4 -4.276 -2.439 -1.179 1.00 1.00 H new ATOM 0 HA TYR A 4 -3.178 -0.081 -0.276 1.00 1.00 H new ATOM 0 HB2 TYR A 4 -3.156 -1.149 -2.606 1.00 1.00 H new ATOM 0 HB3 TYR A 4 -4.721 -0.403 -2.863 1.00 1.00 H new ATOM 0 HD1 TYR A 4 -1.783 0.993 -1.026 1.00 1.00 H new ATOM 0 HD2 TYR A 4 -4.274 1.282 -4.471 1.00 1.00 H new ATOM 0 HE1 TYR A 4 -0.695 3.107 -1.631 1.00 1.00 H new ATOM 0 HE2 TYR A 4 -3.177 3.393 -5.084 1.00 1.00 H new ATOM 0 HH TYR A 4 -1.233 5.150 -2.952 1.00 1.00 H new ATOM 60 N GLU A 5 -6.387 0.230 -1.025 1.00 1.00 N ATOM 61 CA GLU A 5 -7.581 1.031 -0.769 1.00 1.00 C ATOM 62 C GLU A 5 -7.687 1.381 0.710 1.00 1.00 C ATOM 63 O GLU A 5 -7.971 2.525 1.072 1.00 1.00 O ATOM 64 CB GLU A 5 -8.836 0.285 -1.226 1.00 1.00 C ATOM 65 CG GLU A 5 -9.985 1.205 -1.604 1.00 1.00 C ATOM 66 CD GLU A 5 -11.206 0.445 -2.085 1.00 1.00 C ATOM 67 OE1 GLU A 5 -11.328 -0.753 -1.754 1.00 1.00 O ATOM 68 OE2 GLU A 5 -12.039 1.047 -2.794 1.00 1.00 O ATOM 0 H GLU A 5 -6.536 -0.563 -1.649 1.00 1.00 H new ATOM 0 HA GLU A 5 -7.498 1.956 -1.339 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -8.585 -0.341 -2.083 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -9.163 -0.382 -0.429 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -10.257 1.814 -0.742 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -9.656 1.889 -2.386 1.00 1.00 H new ATOM 75 N VAL A 6 -7.428 0.396 1.564 1.00 1.00 N ATOM 76 CA VAL A 6 -7.467 0.617 3.003 1.00 1.00 C ATOM 77 C VAL A 6 -6.473 1.702 3.373 1.00 1.00 C ATOM 78 O VAL A 6 -6.793 2.632 4.114 1.00 1.00 O ATOM 79 CB VAL A 6 -7.150 -0.669 3.791 1.00 1.00 C ATOM 80 CG1 VAL A 6 -7.239 -0.416 5.290 1.00 1.00 C ATOM 81 CG2 VAL A 6 -8.085 -1.797 3.376 1.00 1.00 C ATOM 0 H VAL A 6 -7.191 -0.556 1.286 1.00 1.00 H new ATOM 0 HA VAL A 6 -8.478 0.926 3.268 1.00 1.00 H new ATOM 0 HB VAL A 6 -6.129 -0.971 3.558 1.00 1.00 H new ATOM 0 HG11 VAL A 6 -7.012 -1.336 5.828 1.00 1.00 H new ATOM 0 HG12 VAL A 6 -6.523 0.356 5.572 1.00 1.00 H new ATOM 0 HG13 VAL A 6 -8.246 -0.086 5.544 1.00 1.00 H new ATOM 0 HG21 VAL A 6 -7.845 -2.696 3.944 1.00 1.00 H new ATOM 0 HG22 VAL A 6 -9.116 -1.507 3.575 1.00 1.00 H new ATOM 0 HG23 VAL A 6 -7.964 -1.997 2.311 1.00 1.00 H new ATOM 91 N CYS A 7 -5.271 1.590 2.824 1.00 1.00 N ATOM 92 CA CYS A 7 -4.234 2.585 3.071 1.00 1.00 C ATOM 93 C CYS A 7 -4.673 3.927 2.512 1.00 1.00 C ATOM 94 O CYS A 7 -4.779 4.908 3.242 1.00 1.00 O ATOM 95 CB CYS A 7 -2.919 2.167 2.416 1.00 1.00 C ATOM 96 SG CYS A 7 -1.437 2.888 3.193 1.00 1.00 S ATOM 0 H CYS A 7 -4.990 0.826 2.209 1.00 1.00 H new ATOM 0 HA CYS A 7 -4.079 2.666 4.147 1.00 1.00 H new ATOM 0 HB2 CYS A 7 -2.840 1.080 2.447 1.00 1.00 H new ATOM 0 HB3 CYS A 7 -2.942 2.455 1.365 1.00 1.00 H new ATOM 101 N LEU A 8 -4.938 3.956 1.209 1.00 1.00 N ATOM 102 CA LEU A 8 -5.387 5.172 0.541 1.00 1.00 C ATOM 103 C LEU A 8 -6.446 5.872 1.384 1.00 1.00 C ATOM 104 O LEU A 8 -6.529 7.100 1.407 1.00 1.00 O ATOM 105 CB LEU A 8 -5.951 4.839 -0.843 1.00 1.00 C ATOM 106 CG LEU A 8 -4.966 5.007 -2.001 1.00 1.00 C ATOM 107 CD1 LEU A 8 -5.652 4.733 -3.330 1.00 1.00 C ATOM 108 CD2 LEU A 8 -4.362 6.403 -1.989 1.00 1.00 C ATOM 0 H LEU A 8 -4.849 3.148 0.593 1.00 1.00 H new ATOM 0 HA LEU A 8 -4.534 5.840 0.420 1.00 1.00 H new ATOM 0 HB2 LEU A 8 -6.307 3.809 -0.835 1.00 1.00 H new ATOM 0 HB3 LEU A 8 -6.817 5.474 -1.028 1.00 1.00 H new ATOM 0 HG LEU A 8 -4.161 4.283 -1.875 1.00 1.00 H new ATOM 0 HD11 LEU A 8 -4.935 4.858 -4.142 1.00 1.00 H new ATOM 0 HD12 LEU A 8 -6.036 3.713 -3.338 1.00 1.00 H new ATOM 0 HD13 LEU A 8 -6.477 5.432 -3.464 1.00 1.00 H new ATOM 0 HD21 LEU A 8 -3.664 6.504 -2.820 1.00 1.00 H new ATOM 0 HD22 LEU A 8 -5.155 7.144 -2.089 1.00 1.00 H new ATOM 0 HD23 LEU A 8 -3.833 6.563 -1.049 1.00 1.00 H new ATOM 120 N GLN A 9 -7.246 5.076 2.090 1.00 1.00 N ATOM 121 CA GLN A 9 -8.285 5.611 2.948 1.00 1.00 C ATOM 122 C GLN A 9 -7.685 6.180 4.228 1.00 1.00 C ATOM 123 O GLN A 9 -7.574 7.396 4.388 1.00 1.00 O ATOM 124 CB GLN A 9 -9.307 4.524 3.288 1.00 1.00 C ATOM 125 CG GLN A 9 -10.245 4.190 2.139 1.00 1.00 C ATOM 126 CD GLN A 9 -11.541 4.973 2.198 1.00 1.00 C ATOM 127 OE1 GLN A 9 -12.496 4.567 2.862 1.00 1.00 O ATOM 128 NE2 GLN A 9 -11.583 6.103 1.503 1.00 1.00 N ATOM 0 H GLN A 9 -7.190 4.058 2.081 1.00 1.00 H new ATOM 0 HA GLN A 9 -8.789 6.415 2.412 1.00 1.00 H new ATOM 0 HB2 GLN A 9 -8.777 3.620 3.588 1.00 1.00 H new ATOM 0 HB3 GLN A 9 -9.897 4.847 4.146 1.00 1.00 H new ATOM 0 HG2 GLN A 9 -9.743 4.396 1.194 1.00 1.00 H new ATOM 0 HG3 GLN A 9 -10.468 3.123 2.156 1.00 1.00 H new ATOM 0 HE21 GLN A 9 -10.769 6.402 0.966 1.00 1.00 H new ATOM 0 HE22 GLN A 9 -12.429 6.672 1.505 1.00 1.00 H new ATOM 137 N GLN A 10 -7.293 5.290 5.134 1.00 1.00 N ATOM 138 CA GLN A 10 -6.694 5.691 6.406 1.00 1.00 C ATOM 139 C GLN A 10 -5.274 6.229 6.242 1.00 1.00 C ATOM 140 O GLN A 10 -4.528 6.329 7.215 1.00 1.00 O ATOM 141 CB GLN A 10 -6.696 4.517 7.387 1.00 1.00 C ATOM 142 CG GLN A 10 -8.037 3.807 7.482 1.00 1.00 C ATOM 143 CD GLN A 10 -8.086 2.807 8.621 1.00 1.00 C ATOM 144 OE1 GLN A 10 -7.688 3.110 9.746 1.00 1.00 O ATOM 145 NE2 GLN A 10 -8.577 1.607 8.334 1.00 1.00 N ATOM 0 H GLN A 10 -7.379 4.281 5.012 1.00 1.00 H new ATOM 0 HA GLN A 10 -7.305 6.503 6.802 1.00 1.00 H new ATOM 0 HB2 GLN A 10 -5.935 3.799 7.083 1.00 1.00 H new ATOM 0 HB3 GLN A 10 -6.415 4.880 8.376 1.00 1.00 H new ATOM 0 HG2 GLN A 10 -8.827 4.546 7.618 1.00 1.00 H new ATOM 0 HG3 GLN A 10 -8.239 3.293 6.542 1.00 1.00 H new ATOM 0 HE21 GLN A 10 -8.895 1.399 7.388 1.00 1.00 H new ATOM 0 HE22 GLN A 10 -8.636 0.893 9.060 1.00 1.00 H new ATOM 154 N HIS A 11 -4.894 6.552 5.015 1.00 1.00 N ATOM 155 CA HIS A 11 -3.557 7.049 4.741 1.00 1.00 C ATOM 156 C HIS A 11 -3.456 7.616 3.327 1.00 1.00 C ATOM 157 O HIS A 11 -4.458 7.751 2.624 1.00 1.00 O ATOM 158 CB HIS A 11 -2.556 5.910 4.906 1.00 1.00 C ATOM 159 CG HIS A 11 -2.000 5.789 6.289 1.00 1.00 C ATOM 160 ND1 HIS A 11 -2.217 4.858 7.246 1.00 1.00 N flip ATOM 161 CD2 HIS A 11 -1.109 6.691 6.828 1.00 1.00 C flip ATOM 162 CE1 HIS A 11 -1.461 5.212 8.335 1.00 1.00 C flip ATOM 163 NE2 HIS A 11 -0.799 6.321 8.058 1.00 1.00 N flip ATOM 0 H HIS A 11 -5.494 6.478 4.194 1.00 1.00 H new ATOM 0 HA HIS A 11 -3.335 7.851 5.445 1.00 1.00 H new ATOM 0 HB2 HIS A 11 -3.040 4.972 4.636 1.00 1.00 H new ATOM 0 HB3 HIS A 11 -1.734 6.057 4.206 1.00 1.00 H new ATOM 0 HD2 HIS A 11 -0.724 7.565 6.324 1.00 1.00 H new ATOM 0 HE1 HIS A 11 -1.415 4.671 9.269 1.00 1.00 H new ATOM 0 HE2 HIS A 11 -0.159 6.808 8.685 1.00 1.00 H new ATOM 172 N GLY A 12 -2.231 7.930 2.914 1.00 1.00 N ATOM 173 CA GLY A 12 -1.997 8.463 1.586 1.00 1.00 C ATOM 174 C GLY A 12 -0.680 7.982 1.012 1.00 1.00 C ATOM 175 O GLY A 12 0.140 8.780 0.556 1.00 1.00 O ATOM 0 H GLY A 12 -1.391 7.823 3.482 1.00 1.00 H new ATOM 0 HA2 GLY A 12 -2.812 8.165 0.926 1.00 1.00 H new ATOM 0 HA3 GLY A 12 -2.000 9.552 1.625 1.00 1.00 H new ATOM 179 N ASN A 13 -0.472 6.668 1.052 1.00 1.00 N ATOM 180 CA ASN A 13 0.758 6.065 0.550 1.00 1.00 C ATOM 181 C ASN A 13 0.544 5.396 -0.803 1.00 1.00 C ATOM 182 O ASN A 13 -0.582 5.294 -1.286 1.00 1.00 O ATOM 183 CB ASN A 13 1.271 5.034 1.551 1.00 1.00 C ATOM 184 CG ASN A 13 2.008 5.669 2.714 1.00 1.00 C ATOM 185 OD1 ASN A 13 2.042 6.892 2.848 1.00 1.00 O ATOM 186 ND2 ASN A 13 2.600 4.839 3.565 1.00 1.00 N ATOM 0 H ASN A 13 -1.143 5.999 1.429 1.00 1.00 H new ATOM 0 HA ASN A 13 1.492 6.860 0.422 1.00 1.00 H new ATOM 0 HB2 ASN A 13 0.431 4.453 1.931 1.00 1.00 H new ATOM 0 HB3 ASN A 13 1.936 4.337 1.041 1.00 1.00 H new ATOM 0 HD21 ASN A 13 3.108 5.209 4.368 1.00 1.00 H new ATOM 0 HD22 ASN A 13 2.546 3.831 3.415 1.00 1.00 H new ATOM 193 N VAL A 14 1.641 4.936 -1.402 1.00 1.00 N ATOM 194 CA VAL A 14 1.586 4.266 -2.692 1.00 1.00 C ATOM 195 C VAL A 14 2.539 3.071 -2.729 1.00 1.00 C ATOM 196 O VAL A 14 2.157 1.963 -2.356 1.00 1.00 O ATOM 197 CB VAL A 14 1.905 5.240 -3.842 1.00 1.00 C ATOM 198 CG1 VAL A 14 1.874 4.526 -5.188 1.00 1.00 C ATOM 199 CG2 VAL A 14 0.942 6.419 -3.830 1.00 1.00 C ATOM 0 H VAL A 14 2.579 5.017 -1.010 1.00 1.00 H new ATOM 0 HA VAL A 14 0.568 3.901 -2.828 1.00 1.00 H new ATOM 0 HB VAL A 14 2.914 5.623 -3.691 1.00 1.00 H new ATOM 0 HG11 VAL A 14 2.103 5.237 -5.982 1.00 1.00 H new ATOM 0 HG12 VAL A 14 2.614 3.726 -5.193 1.00 1.00 H new ATOM 0 HG13 VAL A 14 0.883 4.104 -5.353 1.00 1.00 H new ATOM 0 HG21 VAL A 14 1.184 7.095 -4.650 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -0.079 6.056 -3.949 1.00 1.00 H new ATOM 0 HG23 VAL A 14 1.030 6.951 -2.883 1.00 1.00 H new ATOM 209 N LYS A 15 3.773 3.290 -3.173 1.00 1.00 N ATOM 210 CA LYS A 15 4.752 2.216 -3.243 1.00 1.00 C ATOM 211 C LYS A 15 5.104 1.719 -1.847 1.00 1.00 C ATOM 212 O LYS A 15 5.324 0.525 -1.639 1.00 1.00 O ATOM 213 CB LYS A 15 6.016 2.692 -3.964 1.00 1.00 C ATOM 214 CG LYS A 15 5.833 2.868 -5.463 1.00 1.00 C ATOM 215 CD LYS A 15 5.662 4.331 -5.836 1.00 1.00 C ATOM 216 CE LYS A 15 5.493 4.506 -7.337 1.00 1.00 C ATOM 217 NZ LYS A 15 4.089 4.270 -7.769 1.00 1.00 N ATOM 0 H LYS A 15 4.115 4.198 -3.488 1.00 1.00 H new ATOM 0 HA LYS A 15 4.314 1.392 -3.806 1.00 1.00 H new ATOM 0 HB2 LYS A 15 6.335 3.640 -3.532 1.00 1.00 H new ATOM 0 HB3 LYS A 15 6.817 1.975 -3.786 1.00 1.00 H new ATOM 0 HG2 LYS A 15 6.696 2.457 -5.987 1.00 1.00 H new ATOM 0 HG3 LYS A 15 4.961 2.303 -5.793 1.00 1.00 H new ATOM 0 HD2 LYS A 15 4.793 4.740 -5.321 1.00 1.00 H new ATOM 0 HD3 LYS A 15 6.529 4.898 -5.498 1.00 1.00 H new ATOM 0 HE2 LYS A 15 5.796 5.514 -7.621 1.00 1.00 H new ATOM 0 HE3 LYS A 15 6.155 3.815 -7.860 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 4.074 4.013 -8.777 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 3.679 3.496 -7.208 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 3.531 5.136 -7.624 1.00 1.00 H new ATOM 231 N GLU A 16 5.150 2.642 -0.894 1.00 1.00 N ATOM 232 CA GLU A 16 5.472 2.293 0.486 1.00 1.00 C ATOM 233 C GLU A 16 4.446 1.314 1.052 1.00 1.00 C ATOM 234 O GLU A 16 4.806 0.244 1.539 1.00 1.00 O ATOM 235 CB GLU A 16 5.552 3.546 1.370 1.00 1.00 C ATOM 236 CG GLU A 16 4.624 4.674 0.944 1.00 1.00 C ATOM 237 CD GLU A 16 5.324 5.713 0.092 1.00 1.00 C ATOM 238 OE1 GLU A 16 5.481 5.478 -1.124 1.00 1.00 O ATOM 239 OE2 GLU A 16 5.716 6.765 0.641 1.00 1.00 O ATOM 0 H GLU A 16 4.969 3.634 -1.049 1.00 1.00 H new ATOM 0 HA GLU A 16 6.450 1.811 0.485 1.00 1.00 H new ATOM 0 HB2 GLU A 16 5.318 3.267 2.397 1.00 1.00 H new ATOM 0 HB3 GLU A 16 6.578 3.914 1.366 1.00 1.00 H new ATOM 0 HG2 GLU A 16 3.784 4.258 0.387 1.00 1.00 H new ATOM 0 HG3 GLU A 16 4.211 5.155 1.831 1.00 1.00 H new ATOM 246 N CYS A 17 3.168 1.682 0.983 1.00 1.00 N ATOM 247 CA CYS A 17 2.105 0.822 1.493 1.00 1.00 C ATOM 248 C CYS A 17 1.932 -0.412 0.616 1.00 1.00 C ATOM 249 O CYS A 17 1.791 -1.526 1.119 1.00 1.00 O ATOM 250 CB CYS A 17 0.785 1.584 1.577 1.00 1.00 C ATOM 251 SG CYS A 17 -0.084 1.375 3.165 1.00 1.00 S ATOM 0 H CYS A 17 2.846 2.563 0.582 1.00 1.00 H new ATOM 0 HA CYS A 17 2.393 0.501 2.494 1.00 1.00 H new ATOM 0 HB2 CYS A 17 0.977 2.645 1.415 1.00 1.00 H new ATOM 0 HB3 CYS A 17 0.132 1.252 0.770 1.00 1.00 H new ATOM 256 N GLU A 18 1.945 -0.210 -0.700 1.00 1.00 N ATOM 257 CA GLU A 18 1.790 -1.308 -1.636 1.00 1.00 C ATOM 258 C GLU A 18 2.823 -2.393 -1.364 1.00 1.00 C ATOM 259 O GLU A 18 2.487 -3.564 -1.188 1.00 1.00 O ATOM 260 CB GLU A 18 1.941 -0.792 -3.062 1.00 1.00 C ATOM 261 CG GLU A 18 0.666 -0.199 -3.635 1.00 1.00 C ATOM 262 CD GLU A 18 0.316 -0.767 -4.996 1.00 1.00 C ATOM 263 OE1 GLU A 18 0.193 -2.005 -5.111 1.00 1.00 O ATOM 264 OE2 GLU A 18 0.165 0.026 -5.949 1.00 1.00 O ATOM 0 H GLU A 18 2.061 0.705 -1.136 1.00 1.00 H new ATOM 0 HA GLU A 18 0.796 -1.738 -1.510 1.00 1.00 H new ATOM 0 HB2 GLU A 18 2.725 -0.035 -3.084 1.00 1.00 H new ATOM 0 HB3 GLU A 18 2.270 -1.610 -3.702 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -0.158 -0.385 -2.946 1.00 1.00 H new ATOM 0 HG3 GLU A 18 0.777 0.882 -3.715 1.00 1.00 H new ATOM 271 N GLU A 19 4.084 -1.985 -1.332 1.00 1.00 N ATOM 272 CA GLU A 19 5.185 -2.908 -1.079 1.00 1.00 C ATOM 273 C GLU A 19 5.183 -3.389 0.370 1.00 1.00 C ATOM 274 O GLU A 19 5.591 -4.513 0.659 1.00 1.00 O ATOM 275 CB GLU A 19 6.523 -2.238 -1.403 1.00 1.00 C ATOM 276 CG GLU A 19 6.800 -2.126 -2.893 1.00 1.00 C ATOM 277 CD GLU A 19 8.185 -2.621 -3.267 1.00 1.00 C ATOM 278 OE1 GLU A 19 8.618 -3.650 -2.708 1.00 1.00 O ATOM 279 OE2 GLU A 19 8.834 -1.981 -4.121 1.00 1.00 O ATOM 0 H GLU A 19 4.372 -1.018 -1.478 1.00 1.00 H new ATOM 0 HA GLU A 19 5.050 -3.775 -1.726 1.00 1.00 H new ATOM 0 HB2 GLU A 19 6.537 -1.241 -0.963 1.00 1.00 H new ATOM 0 HB3 GLU A 19 7.327 -2.805 -0.934 1.00 1.00 H new ATOM 0 HG2 GLU A 19 6.053 -2.699 -3.442 1.00 1.00 H new ATOM 0 HG3 GLU A 19 6.694 -1.086 -3.202 1.00 1.00 H new ATOM 286 N ALA A 20 4.733 -2.529 1.279 1.00 1.00 N ATOM 287 CA ALA A 20 4.693 -2.867 2.699 1.00 1.00 C ATOM 288 C ALA A 20 3.469 -3.707 3.054 1.00 1.00 C ATOM 289 O ALA A 20 3.343 -4.182 4.183 1.00 1.00 O ATOM 290 CB ALA A 20 4.730 -1.603 3.543 1.00 1.00 C ATOM 0 H ALA A 20 4.391 -1.594 1.058 1.00 1.00 H new ATOM 0 HA ALA A 20 5.575 -3.470 2.916 1.00 1.00 H new ATOM 0 HB1 ALA A 20 4.700 -1.870 4.599 1.00 1.00 H new ATOM 0 HB2 ALA A 20 5.647 -1.053 3.334 1.00 1.00 H new ATOM 0 HB3 ALA A 20 3.870 -0.979 3.302 1.00 1.00 H new