USER MOD reduce.3.24.130724 H: found=0, std=0, add=133, rem=0, adj=3 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 180:sc= -3.2! USER MOD Single : A 9 GLN : amide:sc= -0.495 K(o=-0.5,f=-2.3!) USER MOD Single : A 10 GLN : amide:sc= -0.239 K(o=-0.24,f=-2.2!) USER MOD Single : A 11 HIS : no HD1:sc= -2.2 K(o=-2.2,f=-1.6) USER MOD Single : A 13 ASN : amide:sc= -0.0667 K(o=-0.067,f=-1.8!) USER MOD Single : A 15 LYS NZ :NH3+ -179:sc= 0 (180deg=-7.05e-05) USER MOD ----------------------------------------------------------------- ATOM 15 N PRO A 2 -8.297 -4.532 -1.284 1.00 1.00 N ATOM 16 CA PRO A 2 -8.741 -3.763 -0.117 1.00 1.00 C ATOM 17 C PRO A 2 -7.576 -3.164 0.657 1.00 1.00 C ATOM 18 O PRO A 2 -7.695 -2.088 1.238 1.00 1.00 O ATOM 19 CB PRO A 2 -9.478 -4.798 0.736 1.00 1.00 C ATOM 20 CG PRO A 2 -8.884 -6.106 0.343 1.00 1.00 C ATOM 21 CD PRO A 2 -8.522 -5.979 -1.110 1.00 1.00 C ATOM 0 HA PRO A 2 -9.360 -2.912 -0.402 1.00 1.00 H new ATOM 0 HB2 PRO A 2 -9.340 -4.604 1.800 1.00 1.00 H new ATOM 0 HB3 PRO A 2 -10.551 -4.777 0.544 1.00 1.00 H new ATOM 0 HG2 PRO A 2 -8.004 -6.331 0.946 1.00 1.00 H new ATOM 0 HG3 PRO A 2 -9.593 -6.919 0.498 1.00 1.00 H new ATOM 0 HD2 PRO A 2 -7.630 -6.556 -1.353 1.00 1.00 H new ATOM 0 HD3 PRO A 2 -9.322 -6.341 -1.756 1.00 1.00 H new ATOM 29 N CYS A 3 -6.445 -3.861 0.652 1.00 1.00 N ATOM 30 CA CYS A 3 -5.248 -3.393 1.345 1.00 1.00 C ATOM 31 C CYS A 3 -4.921 -1.961 0.939 1.00 1.00 C ATOM 32 O CYS A 3 -5.052 -1.017 1.731 1.00 1.00 O ATOM 33 CB CYS A 3 -4.069 -4.309 1.016 1.00 1.00 C ATOM 34 SG CYS A 3 -2.487 -3.816 1.777 1.00 1.00 S ATOM 0 H CYS A 3 -6.331 -4.755 0.174 1.00 1.00 H new ATOM 0 HA CYS A 3 -5.434 -3.415 2.419 1.00 1.00 H new ATOM 0 HB2 CYS A 3 -4.312 -5.322 1.338 1.00 1.00 H new ATOM 0 HB3 CYS A 3 -3.942 -4.341 -0.066 1.00 1.00 H new ATOM 0 HG CYS A 3 -1.559 -4.660 1.435 1.00 1.00 H new ATOM 39 N TYR A 4 -4.509 -1.803 -0.313 1.00 1.00 N ATOM 40 CA TYR A 4 -4.181 -0.493 -0.835 1.00 1.00 C ATOM 41 C TYR A 4 -5.312 0.472 -0.558 1.00 1.00 C ATOM 42 O TYR A 4 -5.106 1.526 0.027 1.00 1.00 O ATOM 43 CB TYR A 4 -3.933 -0.561 -2.332 1.00 1.00 C ATOM 44 CG TYR A 4 -3.231 0.667 -2.859 1.00 1.00 C ATOM 45 CD1 TYR A 4 -2.144 1.207 -2.182 1.00 1.00 C ATOM 46 CD2 TYR A 4 -3.663 1.300 -4.017 1.00 1.00 C ATOM 47 CE1 TYR A 4 -1.507 2.341 -2.642 1.00 1.00 C ATOM 48 CE2 TYR A 4 -3.029 2.433 -4.486 1.00 1.00 C ATOM 49 CZ TYR A 4 -1.953 2.951 -3.795 1.00 1.00 C ATOM 50 OH TYR A 4 -1.325 4.082 -4.261 1.00 1.00 O ATOM 0 H TYR A 4 -4.396 -2.567 -0.980 1.00 1.00 H new ATOM 0 HA TYR A 4 -3.274 -0.145 -0.341 1.00 1.00 H new ATOM 0 HB2 TYR A 4 -3.334 -1.443 -2.558 1.00 1.00 H new ATOM 0 HB3 TYR A 4 -4.885 -0.681 -2.849 1.00 1.00 H new ATOM 0 HD1 TYR A 4 -1.792 0.730 -1.279 1.00 1.00 H new ATOM 0 HD2 TYR A 4 -4.507 0.900 -4.559 1.00 1.00 H new ATOM 0 HE1 TYR A 4 -0.665 2.748 -2.102 1.00 1.00 H new ATOM 0 HE2 TYR A 4 -3.374 2.912 -5.390 1.00 1.00 H new ATOM 0 HH TYR A 4 -1.763 4.384 -5.084 1.00 1.00 H new ATOM 60 N GLU A 5 -6.511 0.091 -0.979 1.00 1.00 N ATOM 61 CA GLU A 5 -7.698 0.917 -0.773 1.00 1.00 C ATOM 62 C GLU A 5 -7.752 1.445 0.658 1.00 1.00 C ATOM 63 O GLU A 5 -7.992 2.633 0.888 1.00 1.00 O ATOM 64 CB GLU A 5 -8.965 0.116 -1.083 1.00 1.00 C ATOM 65 CG GLU A 5 -10.026 0.917 -1.822 1.00 1.00 C ATOM 66 CD GLU A 5 -11.427 0.635 -1.314 1.00 1.00 C ATOM 67 OE1 GLU A 5 -11.840 1.275 -0.324 1.00 1.00 O ATOM 68 OE2 GLU A 5 -12.112 -0.224 -1.908 1.00 1.00 O ATOM 0 H GLU A 5 -6.690 -0.787 -1.467 1.00 1.00 H new ATOM 0 HA GLU A 5 -7.640 1.767 -1.453 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -8.697 -0.755 -1.681 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -9.387 -0.256 -0.149 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -9.812 1.981 -1.717 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -9.976 0.686 -2.886 1.00 1.00 H new ATOM 75 N VAL A 6 -7.503 0.559 1.618 1.00 1.00 N ATOM 76 CA VAL A 6 -7.504 0.942 3.023 1.00 1.00 C ATOM 77 C VAL A 6 -6.471 2.032 3.259 1.00 1.00 C ATOM 78 O VAL A 6 -6.736 3.019 3.945 1.00 1.00 O ATOM 79 CB VAL A 6 -7.209 -0.260 3.947 1.00 1.00 C ATOM 80 CG1 VAL A 6 -7.124 0.182 5.402 1.00 1.00 C ATOM 81 CG2 VAL A 6 -8.270 -1.338 3.776 1.00 1.00 C ATOM 0 H VAL A 6 -7.299 -0.426 1.448 1.00 1.00 H new ATOM 0 HA VAL A 6 -8.500 1.313 3.265 1.00 1.00 H new ATOM 0 HB VAL A 6 -6.243 -0.678 3.663 1.00 1.00 H new ATOM 0 HG11 VAL A 6 -6.916 -0.682 6.033 1.00 1.00 H new ATOM 0 HG12 VAL A 6 -6.324 0.914 5.514 1.00 1.00 H new ATOM 0 HG13 VAL A 6 -8.071 0.630 5.702 1.00 1.00 H new ATOM 0 HG21 VAL A 6 -8.046 -2.177 4.435 1.00 1.00 H new ATOM 0 HG22 VAL A 6 -9.248 -0.929 4.029 1.00 1.00 H new ATOM 0 HG23 VAL A 6 -8.277 -1.681 2.741 1.00 1.00 H new ATOM 91 N CYS A 7 -5.299 1.855 2.665 1.00 1.00 N ATOM 92 CA CYS A 7 -4.232 2.841 2.791 1.00 1.00 C ATOM 93 C CYS A 7 -4.624 4.125 2.077 1.00 1.00 C ATOM 94 O CYS A 7 -4.356 5.225 2.552 1.00 1.00 O ATOM 95 CB CYS A 7 -2.936 2.300 2.192 1.00 1.00 C ATOM 96 SG CYS A 7 -1.448 2.659 3.181 1.00 1.00 S ATOM 0 H CYS A 7 -5.063 1.043 2.094 1.00 1.00 H new ATOM 0 HA CYS A 7 -4.075 3.049 3.849 1.00 1.00 H new ATOM 0 HB2 CYS A 7 -3.027 1.220 2.072 1.00 1.00 H new ATOM 0 HB3 CYS A 7 -2.806 2.721 1.195 1.00 1.00 H new ATOM 101 N LEU A 8 -5.262 3.966 0.929 1.00 1.00 N ATOM 102 CA LEU A 8 -5.709 5.096 0.126 1.00 1.00 C ATOM 103 C LEU A 8 -6.579 6.024 0.959 1.00 1.00 C ATOM 104 O LEU A 8 -6.410 7.244 0.931 1.00 1.00 O ATOM 105 CB LEU A 8 -6.485 4.602 -1.097 1.00 1.00 C ATOM 106 CG LEU A 8 -5.633 4.314 -2.334 1.00 1.00 C ATOM 107 CD1 LEU A 8 -6.514 3.922 -3.509 1.00 1.00 C ATOM 108 CD2 LEU A 8 -4.780 5.523 -2.688 1.00 1.00 C ATOM 0 H LEU A 8 -5.485 3.055 0.528 1.00 1.00 H new ATOM 0 HA LEU A 8 -4.834 5.649 -0.214 1.00 1.00 H new ATOM 0 HB2 LEU A 8 -7.021 3.693 -0.825 1.00 1.00 H new ATOM 0 HB3 LEU A 8 -7.235 5.349 -1.358 1.00 1.00 H new ATOM 0 HG LEU A 8 -4.970 3.479 -2.107 1.00 1.00 H new ATOM 0 HD11 LEU A 8 -5.890 3.721 -4.380 1.00 1.00 H new ATOM 0 HD12 LEU A 8 -7.082 3.027 -3.255 1.00 1.00 H new ATOM 0 HD13 LEU A 8 -7.202 4.737 -3.736 1.00 1.00 H new ATOM 0 HD21 LEU A 8 -4.181 5.300 -3.571 1.00 1.00 H new ATOM 0 HD22 LEU A 8 -5.426 6.376 -2.895 1.00 1.00 H new ATOM 0 HD23 LEU A 8 -4.121 5.761 -1.853 1.00 1.00 H new ATOM 120 N GLN A 9 -7.506 5.438 1.708 1.00 1.00 N ATOM 121 CA GLN A 9 -8.393 6.218 2.556 1.00 1.00 C ATOM 122 C GLN A 9 -7.722 6.545 3.886 1.00 1.00 C ATOM 123 O GLN A 9 -7.549 7.712 4.236 1.00 1.00 O ATOM 124 CB GLN A 9 -9.725 5.492 2.799 1.00 1.00 C ATOM 125 CG GLN A 9 -9.638 3.973 2.761 1.00 1.00 C ATOM 126 CD GLN A 9 -10.672 3.309 3.647 1.00 1.00 C ATOM 127 OE1 GLN A 9 -11.224 3.933 4.553 1.00 1.00 O ATOM 128 NE2 GLN A 9 -10.942 2.034 3.390 1.00 1.00 N ATOM 0 H GLN A 9 -7.661 4.430 1.744 1.00 1.00 H new ATOM 0 HA GLN A 9 -8.607 7.149 2.032 1.00 1.00 H new ATOM 0 HB2 GLN A 9 -10.117 5.796 3.770 1.00 1.00 H new ATOM 0 HB3 GLN A 9 -10.444 5.820 2.048 1.00 1.00 H new ATOM 0 HG2 GLN A 9 -9.770 3.631 1.735 1.00 1.00 H new ATOM 0 HG3 GLN A 9 -8.642 3.662 3.075 1.00 1.00 H new ATOM 0 HE21 GLN A 9 -10.461 1.554 2.629 1.00 1.00 H new ATOM 0 HE22 GLN A 9 -11.630 1.535 3.954 1.00 1.00 H new ATOM 137 N GLN A 10 -7.342 5.507 4.622 1.00 1.00 N ATOM 138 CA GLN A 10 -6.684 5.676 5.915 1.00 1.00 C ATOM 139 C GLN A 10 -5.249 6.179 5.778 1.00 1.00 C ATOM 140 O GLN A 10 -4.477 6.132 6.735 1.00 1.00 O ATOM 141 CB GLN A 10 -6.705 4.363 6.700 1.00 1.00 C ATOM 142 CG GLN A 10 -8.102 3.802 6.907 1.00 1.00 C ATOM 143 CD GLN A 10 -8.368 3.408 8.347 1.00 1.00 C ATOM 144 OE1 GLN A 10 -7.449 3.342 9.164 1.00 1.00 O ATOM 145 NE2 GLN A 10 -9.629 3.147 8.666 1.00 1.00 N ATOM 0 H GLN A 10 -7.478 4.535 4.345 1.00 1.00 H new ATOM 0 HA GLN A 10 -7.245 6.436 6.459 1.00 1.00 H new ATOM 0 HB2 GLN A 10 -6.100 3.625 6.174 1.00 1.00 H new ATOM 0 HB3 GLN A 10 -6.239 4.523 7.672 1.00 1.00 H new ATOM 0 HG2 GLN A 10 -8.837 4.545 6.596 1.00 1.00 H new ATOM 0 HG3 GLN A 10 -8.238 2.931 6.266 1.00 1.00 H new ATOM 0 HE21 GLN A 10 -10.359 3.214 7.957 1.00 1.00 H new ATOM 0 HE22 GLN A 10 -9.869 2.879 9.621 1.00 1.00 H new ATOM 154 N HIS A 11 -4.886 6.639 4.590 1.00 1.00 N ATOM 155 CA HIS A 11 -3.537 7.123 4.343 1.00 1.00 C ATOM 156 C HIS A 11 -3.410 7.712 2.939 1.00 1.00 C ATOM 157 O HIS A 11 -4.405 7.909 2.242 1.00 1.00 O ATOM 158 CB HIS A 11 -2.553 5.968 4.507 1.00 1.00 C ATOM 159 CG HIS A 11 -1.884 5.929 5.843 1.00 1.00 C ATOM 160 ND1 HIS A 11 -1.003 6.897 6.277 1.00 1.00 N ATOM 161 CD2 HIS A 11 -1.974 5.027 6.845 1.00 1.00 C ATOM 162 CE1 HIS A 11 -0.579 6.590 7.491 1.00 1.00 C ATOM 163 NE2 HIS A 11 -1.155 5.459 7.859 1.00 1.00 N ATOM 0 H HIS A 11 -5.507 6.687 3.782 1.00 1.00 H new ATOM 0 HA HIS A 11 -3.313 7.911 5.062 1.00 1.00 H new ATOM 0 HB2 HIS A 11 -3.081 5.028 4.348 1.00 1.00 H new ATOM 0 HB3 HIS A 11 -1.790 6.040 3.731 1.00 1.00 H new ATOM 0 HD2 HIS A 11 -2.578 4.132 6.848 1.00 1.00 H new ATOM 0 HE1 HIS A 11 0.119 7.165 8.081 1.00 1.00 H new ATOM 0 HE2 HIS A 11 -1.014 4.984 8.751 1.00 1.00 H new ATOM 172 N GLY A 12 -2.173 7.973 2.529 1.00 1.00 N ATOM 173 CA GLY A 12 -1.916 8.517 1.210 1.00 1.00 C ATOM 174 C GLY A 12 -0.627 7.975 0.623 1.00 1.00 C ATOM 175 O GLY A 12 0.221 8.734 0.156 1.00 1.00 O ATOM 0 H GLY A 12 -1.338 7.815 3.093 1.00 1.00 H new ATOM 0 HA2 GLY A 12 -2.748 8.275 0.548 1.00 1.00 H new ATOM 0 HA3 GLY A 12 -1.861 9.604 1.269 1.00 1.00 H new ATOM 179 N ASN A 13 -0.477 6.654 0.670 1.00 1.00 N ATOM 180 CA ASN A 13 0.722 5.996 0.161 1.00 1.00 C ATOM 181 C ASN A 13 0.488 5.370 -1.208 1.00 1.00 C ATOM 182 O ASN A 13 -0.622 5.390 -1.738 1.00 1.00 O ATOM 183 CB ASN A 13 1.175 4.907 1.132 1.00 1.00 C ATOM 184 CG ASN A 13 1.935 5.466 2.319 1.00 1.00 C ATOM 185 OD1 ASN A 13 2.394 6.608 2.295 1.00 1.00 O ATOM 186 ND2 ASN A 13 2.072 4.660 3.365 1.00 1.00 N ATOM 0 H ASN A 13 -1.173 6.017 1.057 1.00 1.00 H new ATOM 0 HA ASN A 13 1.493 6.760 0.064 1.00 1.00 H new ATOM 0 HB2 ASN A 13 0.304 4.358 1.489 1.00 1.00 H new ATOM 0 HB3 ASN A 13 1.807 4.194 0.603 1.00 1.00 H new ATOM 0 HD21 ASN A 13 2.574 4.980 4.193 1.00 1.00 H new ATOM 0 HD22 ASN A 13 1.675 3.721 3.341 1.00 1.00 H new ATOM 193 N VAL A 14 1.553 4.802 -1.761 1.00 1.00 N ATOM 194 CA VAL A 14 1.495 4.145 -3.055 1.00 1.00 C ATOM 195 C VAL A 14 2.415 2.925 -3.071 1.00 1.00 C ATOM 196 O VAL A 14 2.017 1.844 -2.642 1.00 1.00 O ATOM 197 CB VAL A 14 1.861 5.114 -4.193 1.00 1.00 C ATOM 198 CG1 VAL A 14 1.924 4.390 -5.531 1.00 1.00 C ATOM 199 CG2 VAL A 14 0.874 6.269 -4.252 1.00 1.00 C ATOM 0 H VAL A 14 2.475 4.785 -1.325 1.00 1.00 H new ATOM 0 HA VAL A 14 0.469 3.814 -3.219 1.00 1.00 H new ATOM 0 HB VAL A 14 2.851 5.519 -3.985 1.00 1.00 H new ATOM 0 HG11 VAL A 14 2.185 5.099 -6.317 1.00 1.00 H new ATOM 0 HG12 VAL A 14 2.680 3.606 -5.485 1.00 1.00 H new ATOM 0 HG13 VAL A 14 0.953 3.946 -5.751 1.00 1.00 H new ATOM 0 HG21 VAL A 14 1.150 6.943 -5.063 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -0.129 5.881 -4.428 1.00 1.00 H new ATOM 0 HG23 VAL A 14 0.893 6.812 -3.307 1.00 1.00 H new ATOM 209 N LYS A 15 3.646 3.095 -3.547 1.00 1.00 N ATOM 210 CA LYS A 15 4.593 1.994 -3.586 1.00 1.00 C ATOM 211 C LYS A 15 4.946 1.553 -2.172 1.00 1.00 C ATOM 212 O LYS A 15 5.241 0.383 -1.930 1.00 1.00 O ATOM 213 CB LYS A 15 5.859 2.401 -4.343 1.00 1.00 C ATOM 214 CG LYS A 15 6.412 3.754 -3.922 1.00 1.00 C ATOM 215 CD LYS A 15 6.023 4.847 -4.904 1.00 1.00 C ATOM 216 CE LYS A 15 7.231 5.662 -5.340 1.00 1.00 C ATOM 217 NZ LYS A 15 7.822 6.428 -4.209 1.00 1.00 N ATOM 0 H LYS A 15 4.005 3.979 -3.908 1.00 1.00 H new ATOM 0 HA LYS A 15 4.129 1.158 -4.110 1.00 1.00 H new ATOM 0 HB2 LYS A 15 6.625 1.641 -4.188 1.00 1.00 H new ATOM 0 HB3 LYS A 15 5.642 2.423 -5.411 1.00 1.00 H new ATOM 0 HG2 LYS A 15 6.040 4.007 -2.929 1.00 1.00 H new ATOM 0 HG3 LYS A 15 7.498 3.698 -3.851 1.00 1.00 H new ATOM 0 HD2 LYS A 15 5.550 4.400 -5.778 1.00 1.00 H new ATOM 0 HD3 LYS A 15 5.286 5.505 -4.444 1.00 1.00 H new ATOM 0 HE2 LYS A 15 7.985 4.997 -5.761 1.00 1.00 H new ATOM 0 HE3 LYS A 15 6.937 6.352 -6.131 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 8.632 6.983 -4.551 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 7.106 7.069 -3.812 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 8.142 5.768 -3.472 1.00 1.00 H new ATOM 231 N GLU A 16 4.903 2.497 -1.237 1.00 1.00 N ATOM 232 CA GLU A 16 5.208 2.205 0.157 1.00 1.00 C ATOM 233 C GLU A 16 4.230 1.178 0.714 1.00 1.00 C ATOM 234 O GLU A 16 4.632 0.102 1.156 1.00 1.00 O ATOM 235 CB GLU A 16 5.157 3.485 0.993 1.00 1.00 C ATOM 236 CG GLU A 16 6.180 4.529 0.573 1.00 1.00 C ATOM 237 CD GLU A 16 7.158 4.868 1.682 1.00 1.00 C ATOM 238 OE1 GLU A 16 8.074 4.058 1.933 1.00 1.00 O ATOM 239 OE2 GLU A 16 7.005 5.944 2.298 1.00 1.00 O ATOM 0 H GLU A 16 4.660 3.470 -1.421 1.00 1.00 H new ATOM 0 HA GLU A 16 6.215 1.791 0.208 1.00 1.00 H new ATOM 0 HB2 GLU A 16 4.159 3.917 0.920 1.00 1.00 H new ATOM 0 HB3 GLU A 16 5.319 3.231 2.041 1.00 1.00 H new ATOM 0 HG2 GLU A 16 6.731 4.164 -0.293 1.00 1.00 H new ATOM 0 HG3 GLU A 16 5.661 5.436 0.262 1.00 1.00 H new ATOM 246 N CYS A 17 2.944 1.513 0.686 1.00 1.00 N ATOM 247 CA CYS A 17 1.912 0.614 1.189 1.00 1.00 C ATOM 248 C CYS A 17 1.747 -0.595 0.278 1.00 1.00 C ATOM 249 O CYS A 17 1.640 -1.726 0.749 1.00 1.00 O ATOM 250 CB CYS A 17 0.576 1.345 1.325 1.00 1.00 C ATOM 251 SG CYS A 17 -0.274 1.026 2.907 1.00 1.00 S ATOM 0 H CYS A 17 2.592 2.398 0.321 1.00 1.00 H new ATOM 0 HA CYS A 17 2.228 0.268 2.173 1.00 1.00 H new ATOM 0 HB2 CYS A 17 0.746 2.417 1.223 1.00 1.00 H new ATOM 0 HB3 CYS A 17 -0.077 1.047 0.505 1.00 1.00 H new ATOM 256 N GLU A 18 1.724 -0.352 -1.030 1.00 1.00 N ATOM 257 CA GLU A 18 1.572 -1.426 -1.996 1.00 1.00 C ATOM 258 C GLU A 18 2.636 -2.493 -1.786 1.00 1.00 C ATOM 259 O GLU A 18 2.333 -3.677 -1.642 1.00 1.00 O ATOM 260 CB GLU A 18 1.670 -0.865 -3.409 1.00 1.00 C ATOM 261 CG GLU A 18 0.375 -0.253 -3.912 1.00 1.00 C ATOM 262 CD GLU A 18 0.244 -0.322 -5.422 1.00 1.00 C ATOM 263 OE1 GLU A 18 1.270 -0.157 -6.114 1.00 1.00 O ATOM 264 OE2 GLU A 18 -0.884 -0.541 -5.910 1.00 1.00 O ATOM 0 H GLU A 18 1.809 0.578 -1.440 1.00 1.00 H new ATOM 0 HA GLU A 18 0.593 -1.884 -1.856 1.00 1.00 H new ATOM 0 HB2 GLU A 18 2.454 -0.109 -3.437 1.00 1.00 H new ATOM 0 HB3 GLU A 18 1.972 -1.663 -4.087 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -0.468 -0.770 -3.454 1.00 1.00 H new ATOM 0 HG3 GLU A 18 0.322 0.788 -3.594 1.00 1.00 H new ATOM 271 N GLU A 19 3.889 -2.057 -1.772 1.00 1.00 N ATOM 272 CA GLU A 19 5.015 -2.965 -1.580 1.00 1.00 C ATOM 273 C GLU A 19 5.064 -3.496 -0.150 1.00 1.00 C ATOM 274 O GLU A 19 5.357 -4.671 0.075 1.00 1.00 O ATOM 275 CB GLU A 19 6.330 -2.260 -1.917 1.00 1.00 C ATOM 276 CG GLU A 19 6.441 -1.840 -3.374 1.00 1.00 C ATOM 277 CD GLU A 19 7.706 -2.350 -4.035 1.00 1.00 C ATOM 278 OE1 GLU A 19 8.171 -3.449 -3.660 1.00 1.00 O ATOM 279 OE2 GLU A 19 8.232 -1.653 -4.929 1.00 1.00 O ATOM 0 H GLU A 19 4.153 -1.079 -1.891 1.00 1.00 H new ATOM 0 HA GLU A 19 4.877 -3.811 -2.253 1.00 1.00 H new ATOM 0 HB2 GLU A 19 6.432 -1.378 -1.285 1.00 1.00 H new ATOM 0 HB3 GLU A 19 7.160 -2.923 -1.675 1.00 1.00 H new ATOM 0 HG2 GLU A 19 5.575 -2.211 -3.922 1.00 1.00 H new ATOM 0 HG3 GLU A 19 6.416 -0.752 -3.437 1.00 1.00 H new ATOM 286 N ALA A 20 4.789 -2.625 0.816 1.00 1.00 N ATOM 287 CA ALA A 20 4.817 -3.008 2.224 1.00 1.00 C ATOM 288 C ALA A 20 3.607 -3.852 2.613 1.00 1.00 C ATOM 289 O ALA A 20 3.569 -4.432 3.699 1.00 1.00 O ATOM 290 CB ALA A 20 4.904 -1.774 3.108 1.00 1.00 C ATOM 0 H ALA A 20 4.544 -1.649 0.650 1.00 1.00 H new ATOM 0 HA ALA A 20 5.706 -3.621 2.375 1.00 1.00 H new ATOM 0 HB1 ALA A 20 4.924 -2.077 4.155 1.00 1.00 H new ATOM 0 HB2 ALA A 20 5.814 -1.221 2.873 1.00 1.00 H new ATOM 0 HB3 ALA A 20 4.037 -1.138 2.931 1.00 1.00 H new