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+ -121:sc= 0.0575 (180deg=-0.0241) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,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 K(o=0,f=-0.75) USER MOD Single : A 19 SER OG : rot -61:sc= 1.06 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 -2.673 -20.242 -11.458 1.00 0.00 N ATOM 2 CA MET A 1 -1.698 -20.988 -12.302 1.00 0.00 C ATOM 3 C MET A 1 -0.776 -19.996 -13.014 1.00 0.00 C ATOM 4 O MET A 1 -0.582 -18.883 -12.568 1.00 0.00 O ATOM 5 CB MET A 1 -2.454 -21.818 -13.342 1.00 0.00 C ATOM 6 CG MET A 1 -3.122 -20.885 -14.353 1.00 0.00 C ATOM 7 SD MET A 1 -4.919 -21.049 -14.228 1.00 0.00 S ATOM 8 CE MET A 1 -5.197 -21.737 -15.879 1.00 0.00 C ATOM 0 H1 MET A 1 -2.571 -20.538 -10.466 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.490 -19.221 -11.536 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.640 -20.446 -11.782 1.00 0.00 H new ATOM 0 HA MET A 1 -1.103 -21.649 -11.672 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.767 -22.493 -13.853 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.205 -22.438 -12.852 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.826 -19.853 -14.163 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.793 -21.130 -15.363 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.262 -21.920 -16.022 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.846 -21.031 -16.631 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.651 -22.675 -15.979 1.00 0.00 H new ATOM 20 N GLY A 2 -0.205 -20.392 -14.118 1.00 0.00 N ATOM 21 CA GLY A 2 0.703 -19.473 -14.861 1.00 0.00 C ATOM 22 C GLY A 2 -0.020 -18.927 -16.094 1.00 0.00 C ATOM 23 O GLY A 2 -1.231 -18.858 -16.133 1.00 0.00 O ATOM 0 H GLY A 2 -0.328 -21.313 -14.538 1.00 0.00 H new ATOM 0 HA2 GLY A 2 1.014 -18.652 -14.215 1.00 0.00 H new ATOM 0 HA3 GLY A 2 1.607 -20.002 -15.161 1.00 0.00 H new ATOM 27 N LYS A 3 0.717 -18.536 -17.100 1.00 0.00 N ATOM 28 CA LYS A 3 0.076 -17.994 -18.334 1.00 0.00 C ATOM 29 C LYS A 3 -0.359 -16.545 -18.098 1.00 0.00 C ATOM 30 O LYS A 3 -0.832 -15.877 -18.995 1.00 0.00 O ATOM 31 CB LYS A 3 -1.147 -18.842 -18.688 1.00 0.00 C ATOM 32 CG LYS A 3 -1.432 -18.723 -20.186 1.00 0.00 C ATOM 33 CD LYS A 3 -1.057 -20.034 -20.883 1.00 0.00 C ATOM 34 CE LYS A 3 -2.294 -20.623 -21.562 1.00 0.00 C ATOM 35 NZ LYS A 3 -2.022 -20.808 -23.014 1.00 0.00 N ATOM 0 H LYS A 3 1.736 -18.569 -17.120 1.00 0.00 H new ATOM 0 HA LYS A 3 0.792 -18.026 -19.155 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -0.970 -19.884 -18.422 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.012 -18.509 -18.115 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.486 -18.500 -20.350 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.862 -17.897 -20.611 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.275 -19.855 -21.621 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.655 -20.742 -20.158 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.553 -21.578 -21.105 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.149 -19.961 -21.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.863 -21.209 -23.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.795 -19.889 -23.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.218 -21.456 -23.137 1.00 0.00 H new ATOM 49 N ALA A 4 -0.202 -16.054 -16.899 1.00 0.00 N ATOM 50 CA ALA A 4 -0.609 -14.650 -16.613 1.00 0.00 C ATOM 51 C ALA A 4 0.518 -13.937 -15.861 1.00 0.00 C ATOM 52 O ALA A 4 0.326 -12.882 -15.289 1.00 0.00 O ATOM 53 CB ALA A 4 -1.874 -14.648 -15.754 1.00 0.00 C ATOM 0 H ALA A 4 0.190 -16.564 -16.107 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.807 -14.132 -17.551 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -2.171 -13.620 -15.546 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -2.677 -15.156 -16.288 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -1.677 -15.166 -14.815 1.00 0.00 H new ATOM 59 N GLU A 5 1.692 -14.505 -15.858 1.00 0.00 N ATOM 60 CA GLU A 5 2.828 -13.860 -15.143 1.00 0.00 C ATOM 61 C GLU A 5 3.139 -12.511 -15.795 1.00 0.00 C ATOM 62 O GLU A 5 3.010 -11.470 -15.180 1.00 0.00 O ATOM 63 CB GLU A 5 4.061 -14.763 -15.225 1.00 0.00 C ATOM 64 CG GLU A 5 4.346 -15.364 -13.848 1.00 0.00 C ATOM 65 CD GLU A 5 5.431 -16.436 -13.971 1.00 0.00 C ATOM 66 OE1 GLU A 5 5.883 -16.669 -15.080 1.00 0.00 O ATOM 67 OE2 GLU A 5 5.792 -17.005 -12.954 1.00 0.00 O ATOM 0 H GLU A 5 1.914 -15.387 -16.319 1.00 0.00 H new ATOM 0 HA GLU A 5 2.560 -13.706 -14.098 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.895 -15.557 -15.953 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.922 -14.190 -15.569 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.668 -14.583 -13.159 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.436 -15.799 -13.434 1.00 0.00 H new ATOM 74 N ASN A 6 3.541 -12.518 -17.036 1.00 0.00 N ATOM 75 CA ASN A 6 3.853 -11.235 -17.725 1.00 0.00 C ATOM 76 C ASN A 6 2.550 -10.503 -18.048 1.00 0.00 C ATOM 77 O ASN A 6 2.539 -9.313 -18.294 1.00 0.00 O ATOM 78 CB ASN A 6 4.614 -11.520 -19.021 1.00 0.00 C ATOM 79 CG ASN A 6 6.007 -10.893 -18.943 1.00 0.00 C ATOM 80 OD1 ASN A 6 6.179 -9.727 -19.240 1.00 0.00 O ATOM 81 ND2 ASN A 6 7.017 -11.621 -18.552 1.00 0.00 N ATOM 0 H ASN A 6 3.667 -13.357 -17.602 1.00 0.00 H new ATOM 0 HA ASN A 6 4.469 -10.614 -17.075 1.00 0.00 H new ATOM 0 HB2 ASN A 6 4.696 -12.596 -19.178 1.00 0.00 H new ATOM 0 HB3 ASN A 6 4.068 -11.114 -19.873 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.949 -11.211 -18.496 1.00 0.00 H new ATOM 0 HD22 ASN A 6 6.874 -12.600 -18.302 1.00 0.00 H new ATOM 88 N TYR A 7 1.449 -11.203 -18.048 1.00 0.00 N ATOM 89 CA TYR A 7 0.147 -10.546 -18.352 1.00 0.00 C ATOM 90 C TYR A 7 -0.096 -9.428 -17.336 1.00 0.00 C ATOM 91 O TYR A 7 -0.242 -8.274 -17.690 1.00 0.00 O ATOM 92 CB TYR A 7 -0.978 -11.584 -18.268 1.00 0.00 C ATOM 93 CG TYR A 7 -2.315 -10.888 -18.151 1.00 0.00 C ATOM 94 CD1 TYR A 7 -2.830 -10.577 -16.887 1.00 0.00 C ATOM 95 CD2 TYR A 7 -3.037 -10.554 -19.303 1.00 0.00 C ATOM 96 CE1 TYR A 7 -4.068 -9.931 -16.775 1.00 0.00 C ATOM 97 CE2 TYR A 7 -4.274 -9.909 -19.191 1.00 0.00 C ATOM 98 CZ TYR A 7 -4.790 -9.597 -17.927 1.00 0.00 C ATOM 99 OH TYR A 7 -6.010 -8.963 -17.817 1.00 0.00 O ATOM 0 H TYR A 7 1.395 -12.202 -17.850 1.00 0.00 H new ATOM 0 HA TYR A 7 0.167 -10.124 -19.357 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.965 -12.219 -19.154 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -0.821 -12.234 -17.408 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.273 -10.835 -15.998 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.639 -10.794 -20.278 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -4.465 -9.691 -15.800 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.831 -9.652 -20.080 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.377 -8.802 -18.711 1.00 0.00 H new ATOM 109 N GLU A 8 -0.140 -9.759 -16.074 1.00 0.00 N ATOM 110 CA GLU A 8 -0.368 -8.713 -15.039 1.00 0.00 C ATOM 111 C GLU A 8 0.798 -7.725 -15.058 1.00 0.00 C ATOM 112 O GLU A 8 0.615 -6.529 -14.936 1.00 0.00 O ATOM 113 CB GLU A 8 -0.460 -9.371 -13.660 1.00 0.00 C ATOM 114 CG GLU A 8 -1.823 -9.064 -13.037 1.00 0.00 C ATOM 115 CD GLU A 8 -1.779 -9.369 -11.538 1.00 0.00 C ATOM 116 OE1 GLU A 8 -0.994 -8.740 -10.848 1.00 0.00 O ATOM 117 OE2 GLU A 8 -2.532 -10.226 -11.105 1.00 0.00 O ATOM 0 H GLU A 8 -0.028 -10.708 -15.716 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.298 -8.185 -15.249 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.324 -10.449 -13.750 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.338 -9.002 -13.015 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.081 -8.017 -13.199 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.598 -9.661 -13.518 1.00 0.00 H new ATOM 124 N LEU A 9 1.996 -8.216 -15.216 1.00 0.00 N ATOM 125 CA LEU A 9 3.175 -7.308 -15.249 1.00 0.00 C ATOM 126 C LEU A 9 3.036 -6.345 -16.428 1.00 0.00 C ATOM 127 O LEU A 9 3.694 -5.326 -16.495 1.00 0.00 O ATOM 128 CB LEU A 9 4.450 -8.139 -15.419 1.00 0.00 C ATOM 129 CG LEU A 9 5.108 -8.347 -14.055 1.00 0.00 C ATOM 130 CD1 LEU A 9 5.160 -9.843 -13.737 1.00 0.00 C ATOM 131 CD2 LEU A 9 6.529 -7.782 -14.085 1.00 0.00 C ATOM 0 H LEU A 9 2.209 -9.208 -15.324 1.00 0.00 H new ATOM 0 HA LEU A 9 3.230 -6.743 -14.319 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.212 -9.102 -15.870 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.140 -7.632 -16.094 1.00 0.00 H new ATOM 0 HG LEU A 9 4.528 -7.833 -13.288 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.629 -9.992 -12.764 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.147 -10.246 -13.717 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.741 -10.358 -14.503 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.000 -7.929 -13.113 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.109 -8.297 -14.851 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.492 -6.717 -14.312 1.00 0.00 H new ATOM 143 N TYR A 10 2.182 -6.664 -17.362 1.00 0.00 N ATOM 144 CA TYR A 10 1.995 -5.774 -18.541 1.00 0.00 C ATOM 145 C TYR A 10 0.986 -4.674 -18.201 1.00 0.00 C ATOM 146 O TYR A 10 1.216 -3.509 -18.452 1.00 0.00 O ATOM 147 CB TYR A 10 1.470 -6.601 -19.716 1.00 0.00 C ATOM 148 CG TYR A 10 1.059 -5.681 -20.841 1.00 0.00 C ATOM 149 CD1 TYR A 10 2.020 -5.200 -21.739 1.00 0.00 C ATOM 150 CD2 TYR A 10 -0.282 -5.310 -20.987 1.00 0.00 C ATOM 151 CE1 TYR A 10 1.639 -4.349 -22.782 1.00 0.00 C ATOM 152 CE2 TYR A 10 -0.664 -4.459 -22.030 1.00 0.00 C ATOM 153 CZ TYR A 10 0.296 -3.979 -22.929 1.00 0.00 C ATOM 154 OH TYR A 10 -0.080 -3.140 -23.957 1.00 0.00 O ATOM 0 H TYR A 10 1.605 -7.505 -17.359 1.00 0.00 H new ATOM 0 HA TYR A 10 2.948 -5.318 -18.808 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.240 -7.291 -20.060 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.620 -7.205 -19.398 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.055 -5.486 -21.626 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.023 -5.681 -20.294 1.00 0.00 H new ATOM 0 HE1 TYR A 10 2.380 -3.977 -23.474 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.699 -4.172 -22.142 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.047 -2.985 -23.916 1.00 0.00 H new ATOM 164 N GLN A 11 -0.133 -5.035 -17.633 1.00 0.00 N ATOM 165 CA GLN A 11 -1.153 -4.008 -17.280 1.00 0.00 C ATOM 166 C GLN A 11 -0.587 -3.062 -16.221 1.00 0.00 C ATOM 167 O GLN A 11 -0.992 -1.921 -16.115 1.00 0.00 O ATOM 168 CB GLN A 11 -2.405 -4.699 -16.735 1.00 0.00 C ATOM 169 CG GLN A 11 -3.359 -5.014 -17.889 1.00 0.00 C ATOM 170 CD GLN A 11 -4.386 -3.889 -18.025 1.00 0.00 C ATOM 171 OE1 GLN A 11 -4.068 -2.734 -17.834 1.00 0.00 O ATOM 172 NE2 GLN A 11 -5.618 -4.182 -18.349 1.00 0.00 N ATOM 0 H GLN A 11 -0.384 -5.995 -17.399 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.413 -3.436 -18.170 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.130 -5.617 -16.216 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.899 -4.057 -16.006 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.799 -5.124 -18.818 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.865 -5.962 -17.708 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.886 -5.153 -18.510 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -6.311 -3.440 -18.441 1.00 0.00 H new ATOM 181 N VAL A 12 0.348 -3.521 -15.434 1.00 0.00 N ATOM 182 CA VAL A 12 0.936 -2.642 -14.383 1.00 0.00 C ATOM 183 C VAL A 12 2.082 -1.825 -14.984 1.00 0.00 C ATOM 184 O VAL A 12 2.353 -0.718 -14.564 1.00 0.00 O ATOM 185 CB VAL A 12 1.463 -3.501 -13.233 1.00 0.00 C ATOM 186 CG1 VAL A 12 2.415 -4.566 -13.781 1.00 0.00 C ATOM 187 CG2 VAL A 12 2.213 -2.613 -12.237 1.00 0.00 C ATOM 0 H VAL A 12 0.730 -4.466 -15.473 1.00 0.00 H new ATOM 0 HA VAL A 12 0.170 -1.965 -14.004 1.00 0.00 H new ATOM 0 HB VAL A 12 0.626 -3.987 -12.732 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.789 -5.177 -12.959 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.883 -5.199 -14.491 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.252 -4.082 -14.284 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.589 -3.224 -11.416 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.049 -2.127 -12.740 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.536 -1.855 -11.844 1.00 0.00 H new ATOM 197 N GLU A 13 2.756 -2.359 -15.966 1.00 0.00 N ATOM 198 CA GLU A 13 3.881 -1.608 -16.594 1.00 0.00 C ATOM 199 C GLU A 13 3.323 -0.601 -17.603 1.00 0.00 C ATOM 200 O GLU A 13 4.060 0.116 -18.249 1.00 0.00 O ATOM 201 CB GLU A 13 4.808 -2.587 -17.315 1.00 0.00 C ATOM 202 CG GLU A 13 6.101 -2.758 -16.515 1.00 0.00 C ATOM 203 CD GLU A 13 7.278 -2.927 -17.477 1.00 0.00 C ATOM 204 OE1 GLU A 13 7.475 -2.048 -18.301 1.00 0.00 O ATOM 205 OE2 GLU A 13 7.963 -3.931 -17.375 1.00 0.00 O ATOM 0 H GLU A 13 2.577 -3.282 -16.361 1.00 0.00 H new ATOM 0 HA GLU A 13 4.439 -1.079 -15.822 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.313 -3.551 -17.434 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.034 -2.219 -18.316 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.262 -1.891 -15.875 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.024 -3.627 -15.861 1.00 0.00 H new ATOM 212 N LEU A 14 2.026 -0.544 -17.746 1.00 0.00 N ATOM 213 CA LEU A 14 1.426 0.414 -18.716 1.00 0.00 C ATOM 214 C LEU A 14 1.735 1.847 -18.279 1.00 0.00 C ATOM 215 O LEU A 14 2.456 2.566 -18.940 1.00 0.00 O ATOM 216 CB LEU A 14 -0.090 0.208 -18.759 1.00 0.00 C ATOM 217 CG LEU A 14 -0.530 -0.052 -20.200 1.00 0.00 C ATOM 218 CD1 LEU A 14 -0.122 1.130 -21.080 1.00 0.00 C ATOM 219 CD2 LEU A 14 0.145 -1.326 -20.715 1.00 0.00 C ATOM 0 H LEU A 14 1.358 -1.119 -17.233 1.00 0.00 H new ATOM 0 HA LEU A 14 1.846 0.241 -19.707 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.371 -0.633 -18.125 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.598 1.088 -18.366 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.613 -0.173 -20.233 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.436 0.944 -22.107 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.600 2.039 -20.713 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.961 1.251 -21.048 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.167 -1.513 -21.742 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.228 -1.203 -20.681 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.144 -2.170 -20.088 1.00 0.00 H new ATOM 231 N GLY A 15 1.193 2.268 -17.169 1.00 0.00 N ATOM 232 CA GLY A 15 1.455 3.656 -16.691 1.00 0.00 C ATOM 233 C GLY A 15 0.144 4.287 -16.214 1.00 0.00 C ATOM 234 O GLY A 15 -0.468 5.055 -16.930 1.00 0.00 O ATOM 0 H GLY A 15 0.581 1.712 -16.573 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.181 3.641 -15.878 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.888 4.253 -17.494 1.00 0.00 H new ATOM 238 N PRO A 16 -0.247 3.939 -15.015 1.00 0.00 N ATOM 239 CA PRO A 16 -1.486 4.450 -14.404 1.00 0.00 C ATOM 240 C PRO A 16 -1.276 5.876 -13.885 1.00 0.00 C ATOM 241 O PRO A 16 -1.778 6.830 -14.445 1.00 0.00 O ATOM 242 CB PRO A 16 -1.740 3.479 -13.246 1.00 0.00 C ATOM 243 CG PRO A 16 -0.375 2.833 -12.911 1.00 0.00 C ATOM 244 CD PRO A 16 0.512 3.005 -14.157 1.00 0.00 C ATOM 0 HA PRO A 16 -2.321 4.501 -15.103 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.144 4.004 -12.380 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.470 2.720 -13.528 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.078 3.313 -12.044 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.496 1.778 -12.664 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.491 3.409 -13.897 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.683 2.053 -14.659 1.00 0.00 H new ATOM 252 N GLY A 17 -0.538 6.026 -12.820 1.00 0.00 N ATOM 253 CA GLY A 17 -0.295 7.388 -12.267 1.00 0.00 C ATOM 254 C GLY A 17 1.158 7.498 -11.799 1.00 0.00 C ATOM 255 O GLY A 17 1.811 6.499 -11.572 1.00 0.00 O ATOM 0 H GLY A 17 -0.093 5.264 -12.309 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.502 8.142 -13.026 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.972 7.580 -11.434 1.00 0.00 H new ATOM 259 N PRO A 18 1.620 8.714 -11.669 1.00 0.00 N ATOM 260 CA PRO A 18 2.997 8.998 -11.229 1.00 0.00 C ATOM 261 C PRO A 18 3.118 8.826 -9.712 1.00 0.00 C ATOM 262 O PRO A 18 4.152 8.443 -9.201 1.00 0.00 O ATOM 263 CB PRO A 18 3.209 10.459 -11.633 1.00 0.00 C ATOM 264 CG PRO A 18 1.799 11.087 -11.754 1.00 0.00 C ATOM 265 CD PRO A 18 0.814 9.921 -11.949 1.00 0.00 C ATOM 0 HA PRO A 18 3.736 8.329 -11.670 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.806 10.985 -10.888 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.747 10.527 -12.579 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.551 11.658 -10.859 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.753 11.778 -12.596 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -0.035 9.999 -11.270 1.00 0.00 H new ATOM 0 HD3 PRO A 18 0.412 9.905 -12.962 1.00 0.00 H new ATOM 273 N SER A 19 2.070 9.111 -8.989 1.00 0.00 N ATOM 274 CA SER A 19 2.126 8.967 -7.507 1.00 0.00 C ATOM 275 C SER A 19 1.561 7.603 -7.103 1.00 0.00 C ATOM 276 O SER A 19 0.690 7.506 -6.261 1.00 0.00 O ATOM 277 CB SER A 19 1.299 10.073 -6.856 1.00 0.00 C ATOM 278 OG SER A 19 1.063 9.744 -5.493 1.00 0.00 O ATOM 0 H SER A 19 1.178 9.437 -9.360 1.00 0.00 H new ATOM 0 HA SER A 19 3.161 9.043 -7.175 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.825 11.025 -6.926 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.352 10.192 -7.382 1.00 0.00 H new ATOM 0 HG SER A 19 0.556 8.907 -5.442 1.00 0.00 H new ATOM 284 N GLY A 20 2.050 6.548 -7.696 1.00 0.00 N ATOM 285 CA GLY A 20 1.541 5.192 -7.346 1.00 0.00 C ATOM 286 C GLY A 20 2.309 4.135 -8.141 1.00 0.00 C ATOM 287 O GLY A 20 1.735 3.362 -8.882 1.00 0.00 O ATOM 0 H GLY A 20 2.780 6.567 -8.408 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.658 5.013 -6.277 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.476 5.124 -7.566 1.00 0.00 H new ATOM 291 N ASP A 21 3.605 4.096 -7.994 1.00 0.00 N ATOM 292 CA ASP A 21 4.407 3.088 -8.744 1.00 0.00 C ATOM 293 C ASP A 21 5.053 2.114 -7.756 1.00 0.00 C ATOM 294 O ASP A 21 6.240 2.166 -7.503 1.00 0.00 O ATOM 295 CB ASP A 21 5.498 3.799 -9.547 1.00 0.00 C ATOM 296 CG ASP A 21 5.256 3.577 -11.042 1.00 0.00 C ATOM 297 OD1 ASP A 21 4.114 3.349 -11.407 1.00 0.00 O ATOM 298 OD2 ASP A 21 6.214 3.638 -11.794 1.00 0.00 O ATOM 0 H ASP A 21 4.142 4.717 -7.389 1.00 0.00 H new ATOM 0 HA ASP A 21 3.756 2.538 -9.424 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.494 4.865 -9.321 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.479 3.417 -9.266 1.00 0.00 H new ATOM 303 N MET A 22 4.280 1.222 -7.199 1.00 0.00 N ATOM 304 CA MET A 22 4.851 0.245 -6.230 1.00 0.00 C ATOM 305 C MET A 22 5.381 -0.971 -6.992 1.00 0.00 C ATOM 306 O MET A 22 4.960 -2.088 -6.770 1.00 0.00 O ATOM 307 CB MET A 22 3.762 -0.201 -5.251 1.00 0.00 C ATOM 308 CG MET A 22 4.167 0.189 -3.828 1.00 0.00 C ATOM 309 SD MET A 22 3.327 1.724 -3.363 1.00 0.00 S ATOM 310 CE MET A 22 4.259 2.037 -1.843 1.00 0.00 C ATOM 0 H MET A 22 3.279 1.128 -7.373 1.00 0.00 H new ATOM 0 HA MET A 22 5.665 0.713 -5.676 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.811 0.264 -5.511 1.00 0.00 H new ATOM 0 HB3 MET A 22 3.618 -1.279 -5.317 1.00 0.00 H new ATOM 0 HG2 MET A 22 3.904 -0.608 -3.132 1.00 0.00 H new ATOM 0 HG3 MET A 22 5.247 0.320 -3.769 1.00 0.00 H new ATOM 0 HE1 MET A 22 3.900 2.956 -1.379 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.121 1.204 -1.154 1.00 0.00 H new ATOM 0 HE3 MET A 22 5.318 2.140 -2.080 1.00 0.00 H new ATOM 320 N ALA A 23 6.304 -0.760 -7.889 1.00 0.00 N ATOM 321 CA ALA A 23 6.866 -1.898 -8.666 1.00 0.00 C ATOM 322 C ALA A 23 7.986 -1.389 -9.573 1.00 0.00 C ATOM 323 O ALA A 23 9.035 -1.994 -9.682 1.00 0.00 O ATOM 324 CB ALA A 23 5.762 -2.527 -9.520 1.00 0.00 C ATOM 0 H ALA A 23 6.694 0.155 -8.117 1.00 0.00 H new ATOM 0 HA ALA A 23 7.265 -2.646 -7.981 1.00 0.00 H new ATOM 0 HB1 ALA A 23 6.173 -3.361 -10.089 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.963 -2.888 -8.873 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.363 -1.780 -10.207 1.00 0.00 H new ATOM 330 N ALA A 24 7.775 -0.277 -10.223 1.00 0.00 N ATOM 331 CA ALA A 24 8.830 0.274 -11.120 1.00 0.00 C ATOM 332 C ALA A 24 10.055 0.656 -10.286 1.00 0.00 C ATOM 333 O ALA A 24 11.173 0.629 -10.760 1.00 0.00 O ATOM 334 CB ALA A 24 8.293 1.514 -11.839 1.00 0.00 C ATOM 0 H ALA A 24 6.918 0.274 -10.172 1.00 0.00 H new ATOM 0 HA ALA A 24 9.111 -0.478 -11.858 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.065 1.917 -12.495 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.419 1.241 -12.431 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.012 2.268 -11.104 1.00 0.00 H new ATOM 340 N LYS A 25 9.853 1.009 -9.046 1.00 0.00 N ATOM 341 CA LYS A 25 11.005 1.388 -8.181 1.00 0.00 C ATOM 342 C LYS A 25 11.740 0.123 -7.736 1.00 0.00 C ATOM 343 O LYS A 25 12.954 0.089 -7.668 1.00 0.00 O ATOM 344 CB LYS A 25 10.494 2.143 -6.951 1.00 0.00 C ATOM 345 CG LYS A 25 11.068 3.561 -6.947 1.00 0.00 C ATOM 346 CD LYS A 25 9.958 4.563 -7.268 1.00 0.00 C ATOM 347 CE LYS A 25 9.502 5.252 -5.980 1.00 0.00 C ATOM 348 NZ LYS A 25 8.995 6.617 -6.299 1.00 0.00 N ATOM 0 H LYS A 25 8.939 1.051 -8.595 1.00 0.00 H new ATOM 0 HA LYS A 25 11.687 2.029 -8.740 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.405 2.180 -6.961 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.787 1.618 -6.042 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.504 3.785 -5.974 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.869 3.642 -7.682 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.318 5.304 -7.981 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.117 4.052 -7.737 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.720 4.665 -5.498 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.332 5.316 -5.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.685 7.086 -5.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.754 7.175 -6.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.192 6.544 -6.956 1.00 0.00 H new ATOM 362 N MET A 26 11.015 -0.921 -7.439 1.00 0.00 N ATOM 363 CA MET A 26 11.671 -2.184 -7.002 1.00 0.00 C ATOM 364 C MET A 26 12.762 -2.560 -8.007 1.00 0.00 C ATOM 365 O MET A 26 13.912 -2.729 -7.657 1.00 0.00 O ATOM 366 CB MET A 26 10.629 -3.303 -6.939 1.00 0.00 C ATOM 367 CG MET A 26 9.720 -3.089 -5.727 1.00 0.00 C ATOM 368 SD MET A 26 9.732 -4.573 -4.691 1.00 0.00 S ATOM 369 CE MET A 26 8.378 -4.095 -3.590 1.00 0.00 C ATOM 0 H MET A 26 9.996 -0.953 -7.480 1.00 0.00 H new ATOM 0 HA MET A 26 12.114 -2.045 -6.016 1.00 0.00 H new ATOM 0 HB2 MET A 26 10.036 -3.314 -7.854 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.124 -4.271 -6.869 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.061 -2.228 -5.151 1.00 0.00 H new ATOM 0 HG3 MET A 26 8.704 -2.871 -6.056 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.211 -4.883 -2.856 1.00 0.00 H new ATOM 0 HE2 MET A 26 8.636 -3.169 -3.076 1.00 0.00 H new ATOM 0 HE3 MET A 26 7.470 -3.945 -4.174 1.00 0.00 H new ATOM 379 N SER A 27 12.408 -2.686 -9.258 1.00 0.00 N ATOM 380 CA SER A 27 13.425 -3.047 -10.286 1.00 0.00 C ATOM 381 C SER A 27 14.439 -1.909 -10.420 1.00 0.00 C ATOM 382 O SER A 27 15.624 -2.133 -10.555 1.00 0.00 O ATOM 383 CB SER A 27 12.730 -3.273 -11.631 1.00 0.00 C ATOM 384 OG SER A 27 11.714 -4.255 -11.475 1.00 0.00 O ATOM 0 H SER A 27 11.460 -2.555 -9.611 1.00 0.00 H new ATOM 0 HA SER A 27 13.940 -3.959 -9.985 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.298 -2.340 -11.991 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.454 -3.598 -12.378 1.00 0.00 H new ATOM 0 HG SER A 27 11.266 -4.401 -12.334 1.00 0.00 H new ATOM 390 N LYS A 28 13.979 -0.687 -10.381 1.00 0.00 N ATOM 391 CA LYS A 28 14.916 0.465 -10.503 1.00 0.00 C ATOM 392 C LYS A 28 15.942 0.405 -9.369 1.00 0.00 C ATOM 393 O LYS A 28 16.997 1.004 -9.442 1.00 0.00 O ATOM 394 CB LYS A 28 14.129 1.774 -10.409 1.00 0.00 C ATOM 395 CG LYS A 28 15.010 2.936 -10.869 1.00 0.00 C ATOM 396 CD LYS A 28 14.520 3.441 -12.228 1.00 0.00 C ATOM 397 CE LYS A 28 14.035 4.886 -12.093 1.00 0.00 C ATOM 398 NZ LYS A 28 15.210 5.801 -12.031 1.00 0.00 N ATOM 0 H LYS A 28 12.996 -0.438 -10.270 1.00 0.00 H new ATOM 0 HA LYS A 28 15.429 0.418 -11.463 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.233 1.717 -11.027 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.799 1.939 -9.383 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.978 3.742 -10.136 1.00 0.00 H new ATOM 0 HG3 LYS A 28 16.048 2.612 -10.942 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.325 3.384 -12.961 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.711 2.808 -12.593 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.401 5.148 -12.940 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.428 4.995 -11.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.881 6.783 -11.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.799 5.555 -11.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.772 5.704 -12.901 1.00 0.00 H new ATOM 412 N LYS A 29 15.642 -0.313 -8.323 1.00 0.00 N ATOM 413 CA LYS A 29 16.599 -0.412 -7.186 1.00 0.00 C ATOM 414 C LYS A 29 17.908 -1.038 -7.676 1.00 0.00 C ATOM 415 O LYS A 29 18.979 -0.506 -7.460 1.00 0.00 O ATOM 416 CB LYS A 29 15.996 -1.287 -6.085 1.00 0.00 C ATOM 417 CG LYS A 29 16.415 -0.744 -4.717 1.00 0.00 C ATOM 418 CD LYS A 29 15.313 0.165 -4.169 1.00 0.00 C ATOM 419 CE LYS A 29 15.888 1.555 -3.891 1.00 0.00 C ATOM 420 NZ LYS A 29 16.258 1.661 -2.451 1.00 0.00 N ATOM 0 H LYS A 29 14.774 -0.836 -8.206 1.00 0.00 H new ATOM 0 HA LYS A 29 16.797 0.584 -6.790 1.00 0.00 H new ATOM 0 HB2 LYS A 29 14.909 -1.297 -6.167 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.333 -2.317 -6.198 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.598 -1.568 -4.027 1.00 0.00 H new ATOM 0 HG3 LYS A 29 17.349 -0.189 -4.805 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.495 0.235 -4.886 1.00 0.00 H new ATOM 0 HD3 LYS A 29 14.899 -0.259 -3.254 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.764 1.730 -4.516 1.00 0.00 H new ATOM 0 HE3 LYS A 29 15.156 2.321 -4.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 16.649 2.606 -2.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.413 1.512 -1.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 16.971 0.939 -2.222 1.00 0.00 H new ATOM 434 N LYS A 30 17.830 -2.162 -8.333 1.00 0.00 N ATOM 435 CA LYS A 30 19.070 -2.817 -8.834 1.00 0.00 C ATOM 436 C LYS A 30 19.359 -2.342 -10.259 1.00 0.00 C ATOM 437 O LYS A 30 19.799 -3.100 -11.100 1.00 0.00 O ATOM 438 CB LYS A 30 18.883 -4.336 -8.832 1.00 0.00 C ATOM 439 CG LYS A 30 20.229 -5.014 -8.566 1.00 0.00 C ATOM 440 CD LYS A 30 20.327 -5.391 -7.085 1.00 0.00 C ATOM 441 CE LYS A 30 21.003 -4.256 -6.314 1.00 0.00 C ATOM 442 NZ LYS A 30 20.000 -3.590 -5.434 1.00 0.00 N ATOM 0 H LYS A 30 16.962 -2.655 -8.544 1.00 0.00 H new ATOM 0 HA LYS A 30 19.906 -2.553 -8.186 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.161 -4.624 -8.067 1.00 0.00 H new ATOM 0 HB3 LYS A 30 18.481 -4.665 -9.790 1.00 0.00 H new ATOM 0 HG2 LYS A 30 20.328 -5.905 -9.186 1.00 0.00 H new ATOM 0 HG3 LYS A 30 21.045 -4.344 -8.837 1.00 0.00 H new ATOM 0 HD2 LYS A 30 19.333 -5.579 -6.680 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.897 -6.313 -6.970 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.826 -4.647 -5.715 1.00 0.00 H new ATOM 0 HE3 LYS A 30 21.430 -3.533 -7.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 20.458 -2.818 -4.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 19.230 -3.204 -6.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 19.613 -4.283 -4.763 1.00 0.00 H new ATOM 456 N ALA A 31 19.115 -1.090 -10.537 1.00 0.00 N ATOM 457 CA ALA A 31 19.376 -0.565 -11.907 1.00 0.00 C ATOM 458 C ALA A 31 20.496 0.476 -11.849 1.00 0.00 C ATOM 459 O ALA A 31 21.658 0.162 -12.018 1.00 0.00 O ATOM 460 CB ALA A 31 18.105 0.084 -12.455 1.00 0.00 C ATOM 0 H ALA A 31 18.746 -0.408 -9.874 1.00 0.00 H new ATOM 0 HA ALA A 31 19.675 -1.385 -12.560 1.00 0.00 H new ATOM 0 HB1 ALA A 31 18.296 0.468 -13.457 1.00 0.00 H new ATOM 0 HB2 ALA A 31 17.307 -0.657 -12.496 1.00 0.00 H new ATOM 0 HB3 ALA A 31 17.805 0.904 -11.803 1.00 0.00 H new ATOM 466 N GLY A 32 20.156 1.713 -11.611 1.00 0.00 N ATOM 467 CA GLY A 32 21.202 2.773 -11.542 1.00 0.00 C ATOM 468 C GLY A 32 20.710 3.920 -10.659 1.00 0.00 C ATOM 469 O GLY A 32 19.548 4.275 -10.675 1.00 0.00 O ATOM 0 H GLY A 32 19.200 2.036 -11.461 1.00 0.00 H new ATOM 0 HA2 GLY A 32 22.127 2.360 -11.138 1.00 0.00 H new ATOM 0 HA3 GLY A 32 21.428 3.142 -12.543 1.00 0.00 H new ATOM 473 N ARG A 33 21.585 4.503 -9.886 1.00 0.00 N ATOM 474 CA ARG A 33 21.167 5.628 -9.003 1.00 0.00 C ATOM 475 C ARG A 33 21.108 6.922 -9.818 1.00 0.00 C ATOM 476 O ARG A 33 22.060 7.300 -10.469 1.00 0.00 O ATOM 477 CB ARG A 33 22.182 5.787 -7.868 1.00 0.00 C ATOM 478 CG ARG A 33 22.119 4.564 -6.953 1.00 0.00 C ATOM 479 CD ARG A 33 21.500 4.960 -5.611 1.00 0.00 C ATOM 480 NE ARG A 33 22.542 5.589 -4.750 1.00 0.00 N ATOM 481 CZ ARG A 33 22.339 5.711 -3.468 1.00 0.00 C ATOM 482 NH1 ARG A 33 22.565 4.702 -2.673 1.00 0.00 N ATOM 483 NH2 ARG A 33 21.911 6.843 -2.980 1.00 0.00 N ATOM 0 H ARG A 33 22.571 4.249 -9.828 1.00 0.00 H new ATOM 0 HA ARG A 33 20.183 5.417 -8.586 1.00 0.00 H new ATOM 0 HB2 ARG A 33 23.186 5.897 -8.277 1.00 0.00 H new ATOM 0 HB3 ARG A 33 21.968 6.692 -7.299 1.00 0.00 H new ATOM 0 HG2 ARG A 33 21.527 3.777 -7.420 1.00 0.00 H new ATOM 0 HG3 ARG A 33 23.120 4.160 -6.799 1.00 0.00 H new ATOM 0 HD2 ARG A 33 20.676 5.655 -5.770 1.00 0.00 H new ATOM 0 HD3 ARG A 33 21.086 4.082 -5.116 1.00 0.00 H new ATOM 0 HE ARG A 33 23.412 5.923 -5.163 1.00 0.00 H new ATOM 0 HH11 ARG A 33 22.901 3.817 -3.054 1.00 0.00 H new ATOM 0 HH12 ARG A 33 22.406 4.797 -1.670 1.00 0.00 H new ATOM 0 HH21 ARG A 33 21.735 7.632 -3.602 1.00 0.00 H new ATOM 0 HH22 ARG A 33 21.752 6.938 -1.977 1.00 0.00 H new ATOM 497 N GLY A 34 19.996 7.604 -9.784 1.00 0.00 N ATOM 498 CA GLY A 34 19.876 8.873 -10.557 1.00 0.00 C ATOM 499 C GLY A 34 19.583 10.029 -9.600 1.00 0.00 C ATOM 500 O GLY A 34 18.629 10.749 -9.847 1.00 0.00 O ATOM 501 OXT GLY A 34 20.316 10.175 -8.636 1.00 0.00 O ATOM 0 H GLY A 34 19.166 7.338 -9.255 1.00 0.00 H new ATOM 0 HA2 GLY A 34 20.798 9.066 -11.105 1.00 0.00 H new ATOM 0 HA3 GLY A 34 19.079 8.787 -11.295 1.00 0.00 H new TER 505 GLY A 34