USER MOD reduce.3.24.130724 H: found=0, std=0, add=254, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 254 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= 0 (180deg=-0.247) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.072 X(o=-0.072,f=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.116 K(o=-0.12,f=-1.2) USER MOD Single : A 19 SER OG : rot 180:sc= 0.00239 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.520 -19.418 -18.349 1.00 0.00 N ATOM 2 CA MET A 1 6.675 -18.202 -18.512 1.00 0.00 C ATOM 3 C MET A 1 5.748 -18.059 -17.303 1.00 0.00 C ATOM 4 O MET A 1 5.528 -16.976 -16.800 1.00 0.00 O ATOM 5 CB MET A 1 5.836 -18.332 -19.786 1.00 0.00 C ATOM 6 CG MET A 1 6.761 -18.529 -20.988 1.00 0.00 C ATOM 7 SD MET A 1 6.071 -17.675 -22.427 1.00 0.00 S ATOM 8 CE MET A 1 7.638 -17.079 -23.107 1.00 0.00 C ATOM 0 H1 MET A 1 8.340 -19.359 -18.987 1.00 0.00 H new ATOM 0 H2 MET A 1 7.851 -19.482 -17.365 1.00 0.00 H new ATOM 0 H3 MET A 1 6.960 -20.263 -18.581 1.00 0.00 H new ATOM 0 HA MET A 1 7.314 -17.322 -18.585 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.151 -19.175 -19.699 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.226 -17.439 -19.925 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.754 -18.141 -20.763 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.875 -19.592 -21.202 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.447 -16.513 -24.019 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.130 -16.436 -22.377 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.282 -17.928 -23.335 1.00 0.00 H new ATOM 20 N GLY A 2 5.203 -19.147 -16.831 1.00 0.00 N ATOM 21 CA GLY A 2 4.292 -19.074 -15.654 1.00 0.00 C ATOM 22 C GLY A 2 2.840 -19.061 -16.132 1.00 0.00 C ATOM 23 O GLY A 2 2.555 -19.286 -17.291 1.00 0.00 O ATOM 0 H GLY A 2 5.349 -20.083 -17.210 1.00 0.00 H new ATOM 0 HA2 GLY A 2 4.462 -19.926 -14.996 1.00 0.00 H new ATOM 0 HA3 GLY A 2 4.503 -18.176 -15.073 1.00 0.00 H new ATOM 27 N LYS A 3 1.917 -18.798 -15.248 1.00 0.00 N ATOM 28 CA LYS A 3 0.482 -18.770 -15.651 1.00 0.00 C ATOM 29 C LYS A 3 0.164 -17.424 -16.304 1.00 0.00 C ATOM 30 O LYS A 3 -0.083 -17.340 -17.491 1.00 0.00 O ATOM 31 CB LYS A 3 -0.399 -18.960 -14.415 1.00 0.00 C ATOM 32 CG LYS A 3 -0.754 -20.440 -14.261 1.00 0.00 C ATOM 33 CD LYS A 3 -2.188 -20.674 -14.740 1.00 0.00 C ATOM 34 CE LYS A 3 -2.274 -22.025 -15.454 1.00 0.00 C ATOM 35 NZ LYS A 3 -3.703 -22.349 -15.730 1.00 0.00 N ATOM 0 H LYS A 3 2.095 -18.601 -14.263 1.00 0.00 H new ATOM 0 HA LYS A 3 0.287 -19.574 -16.361 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.123 -18.606 -13.526 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.308 -18.365 -14.509 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.062 -21.053 -14.839 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.654 -20.742 -13.219 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.873 -20.654 -13.893 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.492 -19.874 -15.415 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.710 -21.993 -16.386 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.826 -22.804 -14.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -3.763 -23.267 -16.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -4.228 -22.396 -14.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.116 -21.610 -16.334 1.00 0.00 H new ATOM 49 N ALA A 4 0.167 -16.368 -15.538 1.00 0.00 N ATOM 50 CA ALA A 4 -0.133 -15.026 -16.113 1.00 0.00 C ATOM 51 C ALA A 4 0.859 -14.003 -15.558 1.00 0.00 C ATOM 52 O ALA A 4 0.481 -12.941 -15.106 1.00 0.00 O ATOM 53 CB ALA A 4 -1.558 -14.619 -15.733 1.00 0.00 C ATOM 0 H ALA A 4 0.365 -16.376 -14.537 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.044 -15.064 -17.199 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -1.780 -13.638 -16.152 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -2.263 -15.350 -16.128 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -1.648 -14.578 -14.647 1.00 0.00 H new ATOM 59 N GLU A 5 2.128 -14.317 -15.586 1.00 0.00 N ATOM 60 CA GLU A 5 3.144 -13.364 -15.056 1.00 0.00 C ATOM 61 C GLU A 5 3.258 -12.161 -15.996 1.00 0.00 C ATOM 62 O GLU A 5 3.040 -11.033 -15.604 1.00 0.00 O ATOM 63 CB GLU A 5 4.501 -14.065 -14.960 1.00 0.00 C ATOM 64 CG GLU A 5 5.519 -13.116 -14.323 1.00 0.00 C ATOM 65 CD GLU A 5 6.738 -13.914 -13.856 1.00 0.00 C ATOM 66 OE1 GLU A 5 7.177 -14.775 -14.598 1.00 0.00 O ATOM 67 OE2 GLU A 5 7.210 -13.650 -12.762 1.00 0.00 O ATOM 0 H GLU A 5 2.503 -15.192 -15.953 1.00 0.00 H new ATOM 0 HA GLU A 5 2.839 -13.024 -14.066 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.412 -14.974 -14.365 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.838 -14.366 -15.952 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.823 -12.355 -15.042 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.067 -12.594 -13.479 1.00 0.00 H new ATOM 74 N ASN A 6 3.598 -12.393 -17.234 1.00 0.00 N ATOM 75 CA ASN A 6 3.725 -11.261 -18.195 1.00 0.00 C ATOM 76 C ASN A 6 2.355 -10.610 -18.395 1.00 0.00 C ATOM 77 O ASN A 6 2.244 -9.513 -18.903 1.00 0.00 O ATOM 78 CB ASN A 6 4.241 -11.787 -19.535 1.00 0.00 C ATOM 79 CG ASN A 6 5.573 -11.117 -19.872 1.00 0.00 C ATOM 80 OD1 ASN A 6 6.572 -11.783 -20.057 1.00 0.00 O ATOM 81 ND2 ASN A 6 5.631 -9.816 -19.959 1.00 0.00 N ATOM 0 H ASN A 6 3.793 -13.316 -17.621 1.00 0.00 H new ATOM 0 HA ASN A 6 4.425 -10.524 -17.801 1.00 0.00 H new ATOM 0 HB2 ASN A 6 4.368 -12.868 -19.488 1.00 0.00 H new ATOM 0 HB3 ASN A 6 3.513 -11.586 -20.321 1.00 0.00 H new ATOM 0 HD21 ASN A 6 6.515 -9.359 -20.182 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.792 -9.257 -19.804 1.00 0.00 H new ATOM 88 N TYR A 7 1.310 -11.283 -17.997 1.00 0.00 N ATOM 89 CA TYR A 7 -0.056 -10.712 -18.162 1.00 0.00 C ATOM 90 C TYR A 7 -0.244 -9.539 -17.196 1.00 0.00 C ATOM 91 O TYR A 7 -0.240 -8.390 -17.590 1.00 0.00 O ATOM 92 CB TYR A 7 -1.092 -11.800 -17.864 1.00 0.00 C ATOM 93 CG TYR A 7 -2.456 -11.177 -17.688 1.00 0.00 C ATOM 94 CD1 TYR A 7 -3.043 -10.468 -18.742 1.00 0.00 C ATOM 95 CD2 TYR A 7 -3.134 -11.312 -16.471 1.00 0.00 C ATOM 96 CE1 TYR A 7 -4.309 -9.893 -18.579 1.00 0.00 C ATOM 97 CE2 TYR A 7 -4.398 -10.738 -16.307 1.00 0.00 C ATOM 98 CZ TYR A 7 -4.987 -10.028 -17.360 1.00 0.00 C ATOM 99 OH TYR A 7 -6.235 -9.461 -17.199 1.00 0.00 O ATOM 0 H TYR A 7 1.344 -12.206 -17.564 1.00 0.00 H new ATOM 0 HA TYR A 7 -0.185 -10.355 -19.184 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.116 -12.524 -18.678 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -0.812 -12.344 -16.962 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.520 -10.364 -19.681 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.680 -11.860 -15.658 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -4.763 -9.346 -19.392 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.920 -10.842 -15.368 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.566 -9.649 -16.296 1.00 0.00 H new ATOM 109 N GLU A 8 -0.410 -9.820 -15.931 1.00 0.00 N ATOM 110 CA GLU A 8 -0.598 -8.721 -14.941 1.00 0.00 C ATOM 111 C GLU A 8 0.636 -7.817 -14.936 1.00 0.00 C ATOM 112 O GLU A 8 0.539 -6.618 -14.755 1.00 0.00 O ATOM 113 CB GLU A 8 -0.791 -9.323 -13.547 1.00 0.00 C ATOM 114 CG GLU A 8 -2.221 -9.066 -13.069 1.00 0.00 C ATOM 115 CD GLU A 8 -2.256 -9.065 -11.540 1.00 0.00 C ATOM 116 OE1 GLU A 8 -1.498 -8.312 -10.949 1.00 0.00 O ATOM 117 OE2 GLU A 8 -3.039 -9.817 -10.985 1.00 0.00 O ATOM 0 H GLU A 8 -0.423 -10.762 -15.541 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.475 -8.134 -15.213 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.593 -10.394 -13.572 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.079 -8.883 -12.848 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.577 -8.110 -13.452 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.889 -9.834 -13.458 1.00 0.00 H new ATOM 124 N LEU A 9 1.795 -8.382 -15.126 1.00 0.00 N ATOM 125 CA LEU A 9 3.039 -7.562 -15.126 1.00 0.00 C ATOM 126 C LEU A 9 2.994 -6.540 -16.267 1.00 0.00 C ATOM 127 O LEU A 9 3.648 -5.519 -16.220 1.00 0.00 O ATOM 128 CB LEU A 9 4.250 -8.479 -15.314 1.00 0.00 C ATOM 129 CG LEU A 9 5.528 -7.727 -14.937 1.00 0.00 C ATOM 130 CD1 LEU A 9 6.440 -8.646 -14.124 1.00 0.00 C ATOM 131 CD2 LEU A 9 6.252 -7.286 -16.210 1.00 0.00 C ATOM 0 H LEU A 9 1.935 -9.380 -15.282 1.00 0.00 H new ATOM 0 HA LEU A 9 3.119 -7.034 -14.176 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.144 -9.369 -14.694 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.306 -8.816 -16.349 1.00 0.00 H new ATOM 0 HG LEU A 9 5.272 -6.851 -14.341 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.350 -8.110 -13.855 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.924 -8.961 -13.217 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.697 -9.523 -14.719 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.163 -6.750 -15.943 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.508 -8.163 -16.805 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.602 -6.631 -16.790 1.00 0.00 H new ATOM 143 N TYR A 10 2.232 -6.807 -17.293 1.00 0.00 N ATOM 144 CA TYR A 10 2.158 -5.846 -18.429 1.00 0.00 C ATOM 145 C TYR A 10 1.210 -4.696 -18.082 1.00 0.00 C ATOM 146 O TYR A 10 1.607 -3.551 -18.004 1.00 0.00 O ATOM 147 CB TYR A 10 1.644 -6.569 -19.675 1.00 0.00 C ATOM 148 CG TYR A 10 1.603 -5.603 -20.836 1.00 0.00 C ATOM 149 CD1 TYR A 10 2.742 -4.860 -21.169 1.00 0.00 C ATOM 150 CD2 TYR A 10 0.426 -5.451 -21.578 1.00 0.00 C ATOM 151 CE1 TYR A 10 2.705 -3.966 -22.244 1.00 0.00 C ATOM 152 CE2 TYR A 10 0.389 -4.556 -22.654 1.00 0.00 C ATOM 153 CZ TYR A 10 1.527 -3.812 -22.986 1.00 0.00 C ATOM 154 OH TYR A 10 1.491 -2.929 -24.047 1.00 0.00 O ATOM 0 H TYR A 10 1.660 -7.646 -17.393 1.00 0.00 H new ATOM 0 HA TYR A 10 3.153 -5.444 -18.621 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.292 -7.413 -19.913 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.649 -6.974 -19.489 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.650 -4.977 -20.596 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.453 -6.024 -21.321 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.584 -3.395 -22.502 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.518 -4.440 -23.228 1.00 0.00 H new ATOM 0 HH TYR A 10 0.600 -2.944 -24.455 1.00 0.00 H new ATOM 164 N GLN A 11 -0.045 -4.991 -17.880 1.00 0.00 N ATOM 165 CA GLN A 11 -1.022 -3.916 -17.544 1.00 0.00 C ATOM 166 C GLN A 11 -0.439 -2.986 -16.478 1.00 0.00 C ATOM 167 O GLN A 11 -0.664 -1.793 -16.494 1.00 0.00 O ATOM 168 CB GLN A 11 -2.311 -4.549 -17.015 1.00 0.00 C ATOM 169 CG GLN A 11 -2.889 -5.491 -18.073 1.00 0.00 C ATOM 170 CD GLN A 11 -4.402 -5.289 -18.164 1.00 0.00 C ATOM 171 OE1 GLN A 11 -5.032 -4.876 -17.209 1.00 0.00 O ATOM 172 NE2 GLN A 11 -5.019 -5.563 -19.281 1.00 0.00 N ATOM 0 H GLN A 11 -0.437 -5.931 -17.933 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.235 -3.337 -18.442 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.108 -5.098 -16.096 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.036 -3.773 -16.769 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.427 -5.296 -19.041 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.664 -6.526 -17.815 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.492 -5.909 -20.083 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -6.028 -5.431 -19.352 1.00 0.00 H new ATOM 181 N VAL A 12 0.304 -3.521 -15.548 1.00 0.00 N ATOM 182 CA VAL A 12 0.890 -2.659 -14.480 1.00 0.00 C ATOM 183 C VAL A 12 2.038 -1.827 -15.057 1.00 0.00 C ATOM 184 O VAL A 12 2.211 -0.673 -14.715 1.00 0.00 O ATOM 185 CB VAL A 12 1.419 -3.541 -13.348 1.00 0.00 C ATOM 186 CG1 VAL A 12 2.487 -4.487 -13.894 1.00 0.00 C ATOM 187 CG2 VAL A 12 2.028 -2.657 -12.258 1.00 0.00 C ATOM 0 H VAL A 12 0.530 -4.513 -15.481 1.00 0.00 H new ATOM 0 HA VAL A 12 0.120 -1.991 -14.094 1.00 0.00 H new ATOM 0 HB VAL A 12 0.600 -4.125 -12.928 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.864 -5.115 -13.087 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.053 -5.116 -14.671 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.308 -3.906 -14.314 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.406 -3.284 -11.450 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.847 -2.074 -12.678 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.265 -1.983 -11.868 1.00 0.00 H new ATOM 197 N GLU A 13 2.827 -2.398 -15.926 1.00 0.00 N ATOM 198 CA GLU A 13 3.961 -1.632 -16.515 1.00 0.00 C ATOM 199 C GLU A 13 3.427 -0.388 -17.228 1.00 0.00 C ATOM 200 O GLU A 13 3.799 0.726 -16.916 1.00 0.00 O ATOM 201 CB GLU A 13 4.708 -2.513 -17.520 1.00 0.00 C ATOM 202 CG GLU A 13 5.967 -1.788 -17.999 1.00 0.00 C ATOM 203 CD GLU A 13 6.548 -2.519 -19.211 1.00 0.00 C ATOM 204 OE1 GLU A 13 5.812 -2.733 -20.159 1.00 0.00 O ATOM 205 OE2 GLU A 13 7.722 -2.853 -19.169 1.00 0.00 O ATOM 0 H GLU A 13 2.735 -3.360 -16.253 1.00 0.00 H new ATOM 0 HA GLU A 13 4.642 -1.329 -15.719 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.976 -3.463 -17.058 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.063 -2.742 -18.368 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.728 -0.758 -18.263 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.704 -1.749 -17.197 1.00 0.00 H new ATOM 212 N LEU A 14 2.560 -0.567 -18.189 1.00 0.00 N ATOM 213 CA LEU A 14 2.008 0.607 -18.921 1.00 0.00 C ATOM 214 C LEU A 14 1.267 1.521 -17.943 1.00 0.00 C ATOM 215 O LEU A 14 1.198 2.719 -18.129 1.00 0.00 O ATOM 216 CB LEU A 14 1.039 0.123 -20.002 1.00 0.00 C ATOM 217 CG LEU A 14 -0.172 -0.538 -19.341 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.334 0.457 -19.291 1.00 0.00 C ATOM 219 CD2 LEU A 14 -0.588 -1.765 -20.158 1.00 0.00 C ATOM 0 H LEU A 14 2.211 -1.475 -18.497 1.00 0.00 H new ATOM 0 HA LEU A 14 2.824 1.161 -19.385 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.717 0.962 -20.619 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.538 -0.586 -20.663 1.00 0.00 H new ATOM 0 HG LEU A 14 0.088 -0.843 -18.327 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.197 -0.014 -18.820 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.039 1.333 -18.713 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.596 0.762 -20.304 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.451 -2.239 -19.690 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.848 -1.457 -21.171 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.239 -2.474 -20.196 1.00 0.00 H new ATOM 231 N GLY A 15 0.711 0.965 -16.902 1.00 0.00 N ATOM 232 CA GLY A 15 -0.025 1.803 -15.914 1.00 0.00 C ATOM 233 C GLY A 15 0.841 3.000 -15.512 1.00 0.00 C ATOM 234 O GLY A 15 2.048 2.964 -15.652 1.00 0.00 O ATOM 0 H GLY A 15 0.735 -0.033 -16.693 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.965 2.149 -16.344 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.276 1.210 -15.034 1.00 0.00 H new ATOM 238 N PRO A 16 0.195 4.027 -15.020 1.00 0.00 N ATOM 239 CA PRO A 16 0.875 5.257 -14.582 1.00 0.00 C ATOM 240 C PRO A 16 1.518 5.049 -13.208 1.00 0.00 C ATOM 241 O PRO A 16 2.187 5.918 -12.686 1.00 0.00 O ATOM 242 CB PRO A 16 -0.256 6.285 -14.507 1.00 0.00 C ATOM 243 CG PRO A 16 -1.568 5.480 -14.351 1.00 0.00 C ATOM 244 CD PRO A 16 -1.273 4.054 -14.853 1.00 0.00 C ATOM 0 HA PRO A 16 1.679 5.565 -15.250 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.112 6.960 -13.663 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.282 6.900 -15.407 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.892 5.465 -13.310 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.373 5.935 -14.929 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.607 3.303 -14.137 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.785 3.848 -15.793 1.00 0.00 H new ATOM 252 N GLY A 17 1.321 3.900 -12.621 1.00 0.00 N ATOM 253 CA GLY A 17 1.922 3.634 -11.284 1.00 0.00 C ATOM 254 C GLY A 17 3.443 3.525 -11.421 1.00 0.00 C ATOM 255 O GLY A 17 3.944 3.191 -12.476 1.00 0.00 O ATOM 0 H GLY A 17 0.770 3.135 -13.010 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.665 4.436 -10.592 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.517 2.712 -10.868 1.00 0.00 H new ATOM 259 N PRO A 18 4.131 3.813 -10.346 1.00 0.00 N ATOM 260 CA PRO A 18 5.602 3.760 -10.308 1.00 0.00 C ATOM 261 C PRO A 18 6.083 2.310 -10.202 1.00 0.00 C ATOM 262 O PRO A 18 7.165 1.969 -10.636 1.00 0.00 O ATOM 263 CB PRO A 18 5.959 4.548 -9.045 1.00 0.00 C ATOM 264 CG PRO A 18 4.701 4.520 -8.145 1.00 0.00 C ATOM 265 CD PRO A 18 3.506 4.216 -9.069 1.00 0.00 C ATOM 0 HA PRO A 18 6.068 4.169 -11.204 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.812 4.100 -8.535 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.238 5.572 -9.292 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.795 3.759 -7.371 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.566 5.475 -7.638 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.880 3.421 -8.663 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.868 5.090 -9.196 1.00 0.00 H new ATOM 273 N SER A 19 5.285 1.451 -9.628 1.00 0.00 N ATOM 274 CA SER A 19 5.698 0.025 -9.496 1.00 0.00 C ATOM 275 C SER A 19 5.835 -0.591 -10.890 1.00 0.00 C ATOM 276 O SER A 19 6.392 -1.657 -11.054 1.00 0.00 O ATOM 277 CB SER A 19 4.640 -0.740 -8.700 1.00 0.00 C ATOM 278 OG SER A 19 3.353 -0.443 -9.224 1.00 0.00 O ATOM 0 H SER A 19 4.366 1.675 -9.245 1.00 0.00 H new ATOM 0 HA SER A 19 6.654 -0.034 -8.975 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.830 -1.812 -8.757 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.690 -0.463 -7.647 1.00 0.00 H new ATOM 0 HG SER A 19 2.672 -0.933 -8.717 1.00 0.00 H new ATOM 284 N GLY A 20 5.331 0.073 -11.894 1.00 0.00 N ATOM 285 CA GLY A 20 5.434 -0.474 -13.276 1.00 0.00 C ATOM 286 C GLY A 20 5.991 0.600 -14.212 1.00 0.00 C ATOM 287 O GLY A 20 5.877 0.507 -15.418 1.00 0.00 O ATOM 0 H GLY A 20 4.852 0.970 -11.817 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.083 -1.350 -13.284 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.454 -0.800 -13.623 1.00 0.00 H new ATOM 291 N ASP A 21 6.594 1.622 -13.666 1.00 0.00 N ATOM 292 CA ASP A 21 7.159 2.700 -14.526 1.00 0.00 C ATOM 293 C ASP A 21 8.656 2.836 -14.249 1.00 0.00 C ATOM 294 O ASP A 21 9.444 3.088 -15.141 1.00 0.00 O ATOM 295 CB ASP A 21 6.460 4.025 -14.213 1.00 0.00 C ATOM 296 CG ASP A 21 6.078 4.723 -15.520 1.00 0.00 C ATOM 297 OD1 ASP A 21 5.938 4.033 -16.517 1.00 0.00 O ATOM 298 OD2 ASP A 21 5.933 5.933 -15.501 1.00 0.00 O ATOM 0 H ASP A 21 6.719 1.756 -12.663 1.00 0.00 H new ATOM 0 HA ASP A 21 7.003 2.448 -15.575 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.569 3.845 -13.611 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.118 4.665 -13.625 1.00 0.00 H new ATOM 303 N MET A 22 9.058 2.672 -13.019 1.00 0.00 N ATOM 304 CA MET A 22 10.505 2.791 -12.685 1.00 0.00 C ATOM 305 C MET A 22 11.188 1.433 -12.873 1.00 0.00 C ATOM 306 O MET A 22 12.357 1.270 -12.584 1.00 0.00 O ATOM 307 CB MET A 22 10.656 3.240 -11.230 1.00 0.00 C ATOM 308 CG MET A 22 10.098 4.655 -11.071 1.00 0.00 C ATOM 309 SD MET A 22 11.144 5.821 -11.979 1.00 0.00 S ATOM 310 CE MET A 22 12.153 6.360 -10.577 1.00 0.00 C ATOM 0 H MET A 22 8.447 2.461 -12.230 1.00 0.00 H new ATOM 0 HA MET A 22 10.970 3.525 -13.343 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.127 2.553 -10.570 1.00 0.00 H new ATOM 0 HB3 MET A 22 11.706 3.217 -10.939 1.00 0.00 H new ATOM 0 HG2 MET A 22 9.076 4.699 -11.446 1.00 0.00 H new ATOM 0 HG3 MET A 22 10.062 4.927 -10.016 1.00 0.00 H new ATOM 0 HE1 MET A 22 12.882 7.097 -10.915 1.00 0.00 H new ATOM 0 HE2 MET A 22 11.511 6.806 -9.817 1.00 0.00 H new ATOM 0 HE3 MET A 22 12.674 5.502 -10.153 1.00 0.00 H new ATOM 320 N ALA A 23 10.467 0.456 -13.354 1.00 0.00 N ATOM 321 CA ALA A 23 11.077 -0.887 -13.557 1.00 0.00 C ATOM 322 C ALA A 23 11.177 -1.186 -15.055 1.00 0.00 C ATOM 323 O ALA A 23 11.644 -2.233 -15.458 1.00 0.00 O ATOM 324 CB ALA A 23 10.205 -1.949 -12.883 1.00 0.00 C ATOM 0 H ALA A 23 9.484 0.531 -13.614 1.00 0.00 H new ATOM 0 HA ALA A 23 12.075 -0.901 -13.118 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.650 -2.933 -13.031 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.135 -1.739 -11.816 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.207 -1.933 -13.322 1.00 0.00 H new ATOM 330 N ALA A 24 10.745 -0.276 -15.885 1.00 0.00 N ATOM 331 CA ALA A 24 10.817 -0.512 -17.354 1.00 0.00 C ATOM 332 C ALA A 24 12.282 -0.564 -17.792 1.00 0.00 C ATOM 333 O ALA A 24 12.664 -1.366 -18.620 1.00 0.00 O ATOM 334 CB ALA A 24 10.105 0.626 -18.089 1.00 0.00 C ATOM 0 H ALA A 24 10.345 0.621 -15.609 1.00 0.00 H new ATOM 0 HA ALA A 24 10.333 -1.459 -17.594 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.157 0.454 -19.164 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.061 0.663 -17.778 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.589 1.573 -17.849 1.00 0.00 H new ATOM 340 N LYS A 25 13.106 0.284 -17.240 1.00 0.00 N ATOM 341 CA LYS A 25 14.545 0.283 -17.625 1.00 0.00 C ATOM 342 C LYS A 25 15.237 -0.936 -17.009 1.00 0.00 C ATOM 343 O LYS A 25 15.871 -1.713 -17.693 1.00 0.00 O ATOM 344 CB LYS A 25 15.212 1.560 -17.112 1.00 0.00 C ATOM 345 CG LYS A 25 15.435 2.525 -18.279 1.00 0.00 C ATOM 346 CD LYS A 25 14.428 3.674 -18.193 1.00 0.00 C ATOM 347 CE LYS A 25 14.605 4.600 -19.398 1.00 0.00 C ATOM 348 NZ LYS A 25 13.977 5.920 -19.104 1.00 0.00 N ATOM 0 H LYS A 25 12.845 0.977 -16.539 1.00 0.00 H new ATOM 0 HA LYS A 25 14.630 0.240 -18.711 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.587 2.030 -16.353 1.00 0.00 H new ATOM 0 HB3 LYS A 25 16.164 1.320 -16.638 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.452 2.916 -18.252 1.00 0.00 H new ATOM 0 HG3 LYS A 25 15.321 1.998 -19.227 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.412 3.280 -18.170 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.575 4.232 -17.268 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.665 4.730 -19.618 1.00 0.00 H new ATOM 0 HE3 LYS A 25 14.148 4.156 -20.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.096 6.551 -19.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.963 5.787 -18.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.433 6.343 -18.271 1.00 0.00 H new ATOM 362 N MET A 26 15.118 -1.107 -15.721 1.00 0.00 N ATOM 363 CA MET A 26 15.770 -2.276 -15.064 1.00 0.00 C ATOM 364 C MET A 26 15.485 -3.541 -15.874 1.00 0.00 C ATOM 365 O MET A 26 16.246 -4.489 -15.851 1.00 0.00 O ATOM 366 CB MET A 26 15.211 -2.440 -13.648 1.00 0.00 C ATOM 367 CG MET A 26 15.647 -1.255 -12.786 1.00 0.00 C ATOM 368 SD MET A 26 17.450 -1.253 -12.630 1.00 0.00 S ATOM 369 CE MET A 26 17.600 0.310 -11.729 1.00 0.00 C ATOM 0 H MET A 26 14.599 -0.490 -15.096 1.00 0.00 H new ATOM 0 HA MET A 26 16.846 -2.112 -15.014 1.00 0.00 H new ATOM 0 HB2 MET A 26 14.123 -2.499 -13.680 1.00 0.00 H new ATOM 0 HB3 MET A 26 15.568 -3.372 -13.210 1.00 0.00 H new ATOM 0 HG2 MET A 26 15.309 -0.321 -13.235 1.00 0.00 H new ATOM 0 HG3 MET A 26 15.186 -1.320 -11.800 1.00 0.00 H new ATOM 0 HE1 MET A 26 18.651 0.512 -11.524 1.00 0.00 H new ATOM 0 HE2 MET A 26 17.186 1.118 -12.331 1.00 0.00 H new ATOM 0 HE3 MET A 26 17.053 0.242 -10.788 1.00 0.00 H new ATOM 379 N SER A 27 14.396 -3.565 -16.593 1.00 0.00 N ATOM 380 CA SER A 27 14.065 -4.769 -17.403 1.00 0.00 C ATOM 381 C SER A 27 14.824 -4.715 -18.731 1.00 0.00 C ATOM 382 O SER A 27 15.349 -5.707 -19.196 1.00 0.00 O ATOM 383 CB SER A 27 12.561 -4.803 -17.674 1.00 0.00 C ATOM 384 OG SER A 27 11.941 -5.709 -16.769 1.00 0.00 O ATOM 0 H SER A 27 13.722 -2.802 -16.654 1.00 0.00 H new ATOM 0 HA SER A 27 14.355 -5.666 -16.856 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.136 -3.806 -17.557 1.00 0.00 H new ATOM 0 HB3 SER A 27 12.372 -5.111 -18.702 1.00 0.00 H new ATOM 0 HG SER A 27 10.976 -5.732 -16.939 1.00 0.00 H new ATOM 390 N LYS A 28 14.886 -3.567 -19.345 1.00 0.00 N ATOM 391 CA LYS A 28 15.612 -3.453 -20.642 1.00 0.00 C ATOM 392 C LYS A 28 17.035 -3.988 -20.476 1.00 0.00 C ATOM 393 O LYS A 28 17.551 -4.683 -21.328 1.00 0.00 O ATOM 394 CB LYS A 28 15.667 -1.984 -21.068 1.00 0.00 C ATOM 395 CG LYS A 28 16.177 -1.890 -22.507 1.00 0.00 C ATOM 396 CD LYS A 28 15.209 -1.043 -23.337 1.00 0.00 C ATOM 397 CE LYS A 28 14.541 -1.922 -24.396 1.00 0.00 C ATOM 398 NZ LYS A 28 14.348 -1.133 -25.645 1.00 0.00 N ATOM 0 H LYS A 28 14.466 -2.702 -19.005 1.00 0.00 H new ATOM 0 HA LYS A 28 15.091 -4.033 -21.403 1.00 0.00 H new ATOM 0 HB2 LYS A 28 14.677 -1.535 -20.992 1.00 0.00 H new ATOM 0 HB3 LYS A 28 16.323 -1.425 -20.401 1.00 0.00 H new ATOM 0 HG2 LYS A 28 17.172 -1.445 -22.523 1.00 0.00 H new ATOM 0 HG3 LYS A 28 16.266 -2.887 -22.938 1.00 0.00 H new ATOM 0 HD2 LYS A 28 14.454 -0.596 -22.690 1.00 0.00 H new ATOM 0 HD3 LYS A 28 15.745 -0.223 -23.815 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.157 -2.798 -24.598 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.581 -2.285 -24.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.894 -1.730 -26.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.744 -0.310 -25.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.271 -0.808 -25.996 1.00 0.00 H new ATOM 412 N LYS A 29 17.675 -3.668 -19.384 1.00 0.00 N ATOM 413 CA LYS A 29 19.066 -4.158 -19.165 1.00 0.00 C ATOM 414 C LYS A 29 19.157 -5.635 -19.553 1.00 0.00 C ATOM 415 O LYS A 29 19.936 -6.014 -20.407 1.00 0.00 O ATOM 416 CB LYS A 29 19.435 -3.994 -17.687 1.00 0.00 C ATOM 417 CG LYS A 29 19.497 -2.505 -17.338 1.00 0.00 C ATOM 418 CD LYS A 29 20.376 -1.777 -18.355 1.00 0.00 C ATOM 419 CE LYS A 29 20.975 -0.526 -17.711 1.00 0.00 C ATOM 420 NZ LYS A 29 22.199 -0.120 -18.457 1.00 0.00 N ATOM 0 H LYS A 29 17.295 -3.089 -18.635 1.00 0.00 H new ATOM 0 HA LYS A 29 19.756 -3.580 -19.780 1.00 0.00 H new ATOM 0 HB2 LYS A 29 18.698 -4.495 -17.060 1.00 0.00 H new ATOM 0 HB3 LYS A 29 20.397 -4.466 -17.487 1.00 0.00 H new ATOM 0 HG2 LYS A 29 18.494 -2.079 -17.338 1.00 0.00 H new ATOM 0 HG3 LYS A 29 19.899 -2.373 -16.334 1.00 0.00 H new ATOM 0 HD2 LYS A 29 21.172 -2.437 -18.702 1.00 0.00 H new ATOM 0 HD3 LYS A 29 19.787 -1.502 -19.230 1.00 0.00 H new ATOM 0 HE2 LYS A 29 20.246 0.284 -17.719 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.221 -0.723 -16.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 22.606 0.731 -18.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 22.895 -0.892 -18.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 21.951 0.085 -19.446 1.00 0.00 H new ATOM 434 N LYS A 30 18.372 -6.471 -18.933 1.00 0.00 N ATOM 435 CA LYS A 30 18.418 -7.923 -19.269 1.00 0.00 C ATOM 436 C LYS A 30 17.197 -8.293 -20.113 1.00 0.00 C ATOM 437 O LYS A 30 16.318 -9.006 -19.673 1.00 0.00 O ATOM 438 CB LYS A 30 18.414 -8.744 -17.978 1.00 0.00 C ATOM 439 CG LYS A 30 19.851 -8.942 -17.496 1.00 0.00 C ATOM 440 CD LYS A 30 20.302 -7.706 -16.712 1.00 0.00 C ATOM 441 CE LYS A 30 20.756 -8.127 -15.312 1.00 0.00 C ATOM 442 NZ LYS A 30 19.871 -7.498 -14.292 1.00 0.00 N ATOM 0 H LYS A 30 17.701 -6.213 -18.209 1.00 0.00 H new ATOM 0 HA LYS A 30 19.326 -8.136 -19.834 1.00 0.00 H new ATOM 0 HB2 LYS A 30 17.829 -8.235 -17.212 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.940 -9.710 -18.150 1.00 0.00 H new ATOM 0 HG2 LYS A 30 19.915 -9.829 -16.866 1.00 0.00 H new ATOM 0 HG3 LYS A 30 20.512 -9.107 -18.347 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.118 -7.208 -17.236 1.00 0.00 H new ATOM 0 HD3 LYS A 30 19.484 -6.989 -16.640 1.00 0.00 H new ATOM 0 HE2 LYS A 30 20.722 -9.212 -15.218 1.00 0.00 H new ATOM 0 HE3 LYS A 30 21.790 -7.825 -15.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 20.180 -7.784 -13.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 19.925 -6.463 -14.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 18.890 -7.807 -14.445 1.00 0.00 H new ATOM 456 N ALA A 31 17.136 -7.814 -21.326 1.00 0.00 N ATOM 457 CA ALA A 31 15.973 -8.139 -22.198 1.00 0.00 C ATOM 458 C ALA A 31 16.449 -8.978 -23.386 1.00 0.00 C ATOM 459 O ALA A 31 16.108 -10.137 -23.516 1.00 0.00 O ATOM 460 CB ALA A 31 15.339 -6.843 -22.707 1.00 0.00 C ATOM 0 H ALA A 31 17.842 -7.212 -21.750 1.00 0.00 H new ATOM 0 HA ALA A 31 15.235 -8.702 -21.627 1.00 0.00 H new ATOM 0 HB1 ALA A 31 14.488 -7.080 -23.345 1.00 0.00 H new ATOM 0 HB2 ALA A 31 15.002 -6.246 -21.860 1.00 0.00 H new ATOM 0 HB3 ALA A 31 16.075 -6.278 -23.279 1.00 0.00 H new ATOM 466 N GLY A 32 17.236 -8.403 -24.254 1.00 0.00 N ATOM 467 CA GLY A 32 17.735 -9.170 -25.431 1.00 0.00 C ATOM 468 C GLY A 32 19.255 -9.027 -25.527 1.00 0.00 C ATOM 469 O GLY A 32 19.996 -9.891 -25.103 1.00 0.00 O ATOM 0 H GLY A 32 17.555 -7.436 -24.199 1.00 0.00 H new ATOM 0 HA2 GLY A 32 17.463 -10.221 -25.335 1.00 0.00 H new ATOM 0 HA3 GLY A 32 17.266 -8.802 -26.344 1.00 0.00 H new ATOM 473 N ARG A 33 19.725 -7.944 -26.081 1.00 0.00 N ATOM 474 CA ARG A 33 21.196 -7.746 -26.203 1.00 0.00 C ATOM 475 C ARG A 33 21.519 -6.253 -26.106 1.00 0.00 C ATOM 476 O ARG A 33 22.434 -5.764 -26.739 1.00 0.00 O ATOM 477 CB ARG A 33 21.673 -8.287 -27.553 1.00 0.00 C ATOM 478 CG ARG A 33 20.830 -7.675 -28.674 1.00 0.00 C ATOM 479 CD ARG A 33 21.508 -6.405 -29.190 1.00 0.00 C ATOM 480 NE ARG A 33 21.066 -6.138 -30.588 1.00 0.00 N ATOM 481 CZ ARG A 33 20.173 -5.215 -30.825 1.00 0.00 C ATOM 482 NH1 ARG A 33 20.290 -4.037 -30.277 1.00 0.00 N ATOM 483 NH2 ARG A 33 19.162 -5.472 -31.610 1.00 0.00 N ATOM 0 H ARG A 33 19.153 -7.187 -26.455 1.00 0.00 H new ATOM 0 HA ARG A 33 21.703 -8.280 -25.399 1.00 0.00 H new ATOM 0 HB2 ARG A 33 22.726 -8.046 -27.702 1.00 0.00 H new ATOM 0 HB3 ARG A 33 21.589 -9.374 -27.572 1.00 0.00 H new ATOM 0 HG2 ARG A 33 20.711 -8.392 -29.486 1.00 0.00 H new ATOM 0 HG3 ARG A 33 19.831 -7.442 -28.306 1.00 0.00 H new ATOM 0 HD2 ARG A 33 21.256 -5.560 -28.550 1.00 0.00 H new ATOM 0 HD3 ARG A 33 22.591 -6.519 -29.155 1.00 0.00 H new ATOM 0 HE ARG A 33 21.461 -6.676 -31.359 1.00 0.00 H new ATOM 0 HH11 ARG A 33 21.079 -3.836 -29.663 1.00 0.00 H new ATOM 0 HH12 ARG A 33 19.592 -3.317 -30.463 1.00 0.00 H new ATOM 0 HH21 ARG A 33 19.070 -6.393 -32.038 1.00 0.00 H new ATOM 0 HH22 ARG A 33 18.464 -4.751 -31.795 1.00 0.00 H new ATOM 497 N GLY A 34 20.775 -5.526 -25.320 1.00 0.00 N ATOM 498 CA GLY A 34 21.040 -4.067 -25.183 1.00 0.00 C ATOM 499 C GLY A 34 20.780 -3.373 -26.522 1.00 0.00 C ATOM 500 O GLY A 34 20.305 -4.036 -27.429 1.00 0.00 O ATOM 501 OXT GLY A 34 21.061 -2.189 -26.617 1.00 0.00 O ATOM 0 H GLY A 34 19.995 -5.879 -24.766 1.00 0.00 H new ATOM 0 HA2 GLY A 34 20.400 -3.641 -24.410 1.00 0.00 H new ATOM 0 HA3 GLY A 34 22.071 -3.902 -24.870 1.00 0.00 H new TER 505 GLY A 34