USER MOD reduce.3.24.130724 H: found=0, std=0, add=254, rem=0, adj=7 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 Set 1.1: A 7 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc= 0 (180deg=-0.0389) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.0064 K(o=-0.0064,f=-1.2) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -84:sc= -0.618 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+ 162:sc= 0 (180deg=-0.253) USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0731) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.053 -22.348 -16.159 1.00 0.00 N ATOM 2 CA MET A 1 -4.084 -23.250 -15.473 1.00 0.00 C ATOM 3 C MET A 1 -2.659 -22.767 -15.749 1.00 0.00 C ATOM 4 O MET A 1 -1.770 -23.548 -16.026 1.00 0.00 O ATOM 5 CB MET A 1 -4.250 -24.676 -16.003 1.00 0.00 C ATOM 6 CG MET A 1 -4.454 -25.637 -14.831 1.00 0.00 C ATOM 7 SD MET A 1 -3.725 -27.243 -15.233 1.00 0.00 S ATOM 8 CE MET A 1 -4.034 -28.039 -13.637 1.00 0.00 C ATOM 0 H1 MET A 1 -6.017 -22.722 -16.044 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.998 -21.397 -15.741 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.821 -22.295 -17.171 1.00 0.00 H new ATOM 0 HA MET A 1 -4.272 -23.238 -14.399 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.102 -24.726 -16.681 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.370 -24.967 -16.576 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.993 -25.232 -13.930 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.518 -25.751 -14.621 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.657 -29.061 -13.661 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.526 -27.483 -12.849 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.106 -28.053 -13.439 1.00 0.00 H new ATOM 20 N GLY A 2 -2.433 -21.483 -15.679 1.00 0.00 N ATOM 21 CA GLY A 2 -1.067 -20.950 -15.940 1.00 0.00 C ATOM 22 C GLY A 2 -0.653 -20.017 -14.801 1.00 0.00 C ATOM 23 O GLY A 2 -1.022 -20.213 -13.660 1.00 0.00 O ATOM 0 H GLY A 2 -3.137 -20.780 -15.452 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -0.356 -21.771 -16.027 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -1.051 -20.412 -16.888 1.00 0.00 H new ATOM 27 N LYS A 3 0.111 -19.003 -15.103 1.00 0.00 N ATOM 28 CA LYS A 3 0.550 -18.058 -14.038 1.00 0.00 C ATOM 29 C LYS A 3 0.128 -16.634 -14.406 1.00 0.00 C ATOM 30 O LYS A 3 -0.088 -15.800 -13.549 1.00 0.00 O ATOM 31 CB LYS A 3 2.073 -18.117 -13.902 1.00 0.00 C ATOM 32 CG LYS A 3 2.442 -18.854 -12.614 1.00 0.00 C ATOM 33 CD LYS A 3 2.057 -20.329 -12.740 1.00 0.00 C ATOM 34 CE LYS A 3 2.715 -21.128 -11.615 1.00 0.00 C ATOM 35 NZ LYS A 3 1.866 -21.055 -10.393 1.00 0.00 N ATOM 0 H LYS A 3 0.450 -18.788 -16.041 1.00 0.00 H new ATOM 0 HA LYS A 3 0.086 -18.339 -13.093 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.506 -18.627 -14.762 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.487 -17.109 -13.888 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.511 -18.762 -12.424 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.927 -18.404 -11.765 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.974 -20.438 -12.692 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.373 -20.717 -13.708 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.845 -22.167 -11.920 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.708 -20.731 -11.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.313 -21.598 -9.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.764 -20.062 -10.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.927 -21.453 -10.598 1.00 0.00 H new ATOM 49 N ALA A 4 0.012 -16.347 -15.674 1.00 0.00 N ATOM 50 CA ALA A 4 -0.391 -14.974 -16.090 1.00 0.00 C ATOM 51 C ALA A 4 0.632 -13.966 -15.563 1.00 0.00 C ATOM 52 O ALA A 4 0.299 -12.846 -15.230 1.00 0.00 O ATOM 53 CB ALA A 4 -1.771 -14.650 -15.515 1.00 0.00 C ATOM 0 H ALA A 4 0.178 -17.002 -16.438 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.431 -14.919 -17.178 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -2.065 -13.646 -15.819 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -2.499 -15.370 -15.888 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -1.733 -14.703 -14.427 1.00 0.00 H new ATOM 59 N GLU A 5 1.875 -14.357 -15.483 1.00 0.00 N ATOM 60 CA GLU A 5 2.920 -13.423 -14.975 1.00 0.00 C ATOM 61 C GLU A 5 3.063 -12.241 -15.937 1.00 0.00 C ATOM 62 O GLU A 5 2.658 -11.136 -15.638 1.00 0.00 O ATOM 63 CB GLU A 5 4.257 -14.162 -14.872 1.00 0.00 C ATOM 64 CG GLU A 5 5.104 -13.538 -13.762 1.00 0.00 C ATOM 65 CD GLU A 5 5.971 -14.618 -13.113 1.00 0.00 C ATOM 66 OE1 GLU A 5 6.909 -15.061 -13.755 1.00 0.00 O ATOM 67 OE2 GLU A 5 5.681 -14.985 -11.986 1.00 0.00 O ATOM 0 H GLU A 5 2.212 -15.283 -15.747 1.00 0.00 H new ATOM 0 HA GLU A 5 2.630 -13.055 -13.991 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.085 -15.218 -14.662 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.788 -14.108 -15.822 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.734 -12.748 -14.171 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.459 -13.076 -13.014 1.00 0.00 H new ATOM 74 N ASN A 6 3.633 -12.462 -17.090 1.00 0.00 N ATOM 75 CA ASN A 6 3.796 -11.347 -18.064 1.00 0.00 C ATOM 76 C ASN A 6 2.433 -10.707 -18.334 1.00 0.00 C ATOM 77 O ASN A 6 2.342 -9.590 -18.803 1.00 0.00 O ATOM 78 CB ASN A 6 4.372 -11.891 -19.373 1.00 0.00 C ATOM 79 CG ASN A 6 5.773 -12.450 -19.119 1.00 0.00 C ATOM 80 OD1 ASN A 6 6.493 -11.954 -18.275 1.00 0.00 O ATOM 81 ND2 ASN A 6 6.194 -13.467 -19.819 1.00 0.00 N ATOM 0 H ASN A 6 3.992 -13.365 -17.399 1.00 0.00 H new ATOM 0 HA ASN A 6 4.475 -10.600 -17.652 1.00 0.00 H new ATOM 0 HB2 ASN A 6 3.724 -12.672 -19.772 1.00 0.00 H new ATOM 0 HB3 ASN A 6 4.415 -11.099 -20.121 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.127 -13.846 -19.658 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.590 -13.884 -20.527 1.00 0.00 H new ATOM 88 N TYR A 7 1.373 -11.406 -18.038 1.00 0.00 N ATOM 89 CA TYR A 7 0.015 -10.843 -18.275 1.00 0.00 C ATOM 90 C TYR A 7 -0.183 -9.599 -17.402 1.00 0.00 C ATOM 91 O TYR A 7 -0.091 -8.481 -17.870 1.00 0.00 O ATOM 92 CB TYR A 7 -1.038 -11.898 -17.919 1.00 0.00 C ATOM 93 CG TYR A 7 -2.395 -11.246 -17.784 1.00 0.00 C ATOM 94 CD1 TYR A 7 -3.053 -10.756 -18.918 1.00 0.00 C ATOM 95 CD2 TYR A 7 -2.993 -11.133 -16.523 1.00 0.00 C ATOM 96 CE1 TYR A 7 -4.309 -10.152 -18.792 1.00 0.00 C ATOM 97 CE2 TYR A 7 -4.250 -10.528 -16.397 1.00 0.00 C ATOM 98 CZ TYR A 7 -4.908 -10.038 -17.532 1.00 0.00 C ATOM 99 OH TYR A 7 -6.147 -9.443 -17.407 1.00 0.00 O ATOM 0 H TYR A 7 1.389 -12.345 -17.641 1.00 0.00 H new ATOM 0 HA TYR A 7 -0.089 -10.565 -19.324 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.070 -12.667 -18.690 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -0.768 -12.393 -16.986 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.591 -10.844 -19.890 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.485 -11.512 -15.648 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -4.816 -9.774 -19.667 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.712 -10.439 -15.425 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.418 -9.446 -16.465 1.00 0.00 H new ATOM 109 N GLU A 8 -0.455 -9.785 -16.140 1.00 0.00 N ATOM 110 CA GLU A 8 -0.662 -8.615 -15.241 1.00 0.00 C ATOM 111 C GLU A 8 0.585 -7.727 -15.251 1.00 0.00 C ATOM 112 O GLU A 8 0.496 -6.517 -15.300 1.00 0.00 O ATOM 113 CB GLU A 8 -0.924 -9.110 -13.818 1.00 0.00 C ATOM 114 CG GLU A 8 -1.899 -8.162 -13.118 1.00 0.00 C ATOM 115 CD GLU A 8 -1.113 -7.067 -12.395 1.00 0.00 C ATOM 116 OE1 GLU A 8 0.104 -7.089 -12.471 1.00 0.00 O ATOM 117 OE2 GLU A 8 -1.742 -6.222 -11.777 1.00 0.00 O ATOM 0 H GLU A 8 -0.543 -10.697 -15.692 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.517 -8.037 -15.591 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.336 -10.119 -13.843 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.012 -9.162 -13.262 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.577 -7.717 -13.846 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.513 -8.714 -12.407 1.00 0.00 H new ATOM 124 N LEU A 9 1.746 -8.317 -15.199 1.00 0.00 N ATOM 125 CA LEU A 9 2.997 -7.506 -15.203 1.00 0.00 C ATOM 126 C LEU A 9 2.888 -6.399 -16.256 1.00 0.00 C ATOM 127 O LEU A 9 3.203 -5.254 -16.000 1.00 0.00 O ATOM 128 CB LEU A 9 4.190 -8.407 -15.530 1.00 0.00 C ATOM 129 CG LEU A 9 4.703 -9.060 -14.246 1.00 0.00 C ATOM 130 CD1 LEU A 9 5.570 -10.270 -14.598 1.00 0.00 C ATOM 131 CD2 LEU A 9 5.537 -8.048 -13.457 1.00 0.00 C ATOM 0 H LEU A 9 1.884 -9.327 -15.154 1.00 0.00 H new ATOM 0 HA LEU A 9 3.140 -7.057 -14.220 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.895 -9.173 -16.247 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.984 -7.823 -15.996 1.00 0.00 H new ATOM 0 HG LEU A 9 3.856 -9.384 -13.641 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.935 -10.735 -13.682 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.977 -10.992 -15.160 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.417 -9.947 -15.204 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.903 -8.513 -12.542 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.383 -7.723 -14.062 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.920 -7.186 -13.204 1.00 0.00 H new ATOM 143 N TYR A 10 2.447 -6.731 -17.438 1.00 0.00 N ATOM 144 CA TYR A 10 2.321 -5.696 -18.502 1.00 0.00 C ATOM 145 C TYR A 10 1.218 -4.703 -18.123 1.00 0.00 C ATOM 146 O TYR A 10 1.321 -3.520 -18.376 1.00 0.00 O ATOM 147 CB TYR A 10 1.966 -6.369 -19.828 1.00 0.00 C ATOM 148 CG TYR A 10 2.002 -5.348 -20.940 1.00 0.00 C ATOM 149 CD1 TYR A 10 3.074 -4.453 -21.038 1.00 0.00 C ATOM 150 CD2 TYR A 10 0.962 -5.299 -21.877 1.00 0.00 C ATOM 151 CE1 TYR A 10 3.106 -3.508 -22.071 1.00 0.00 C ATOM 152 CE2 TYR A 10 0.994 -4.354 -22.910 1.00 0.00 C ATOM 153 CZ TYR A 10 2.065 -3.460 -23.007 1.00 0.00 C ATOM 154 OH TYR A 10 2.096 -2.529 -24.027 1.00 0.00 O ATOM 0 H TYR A 10 2.169 -7.673 -17.713 1.00 0.00 H new ATOM 0 HA TYR A 10 3.267 -5.165 -18.605 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.669 -7.175 -20.038 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.975 -6.819 -19.765 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.877 -4.491 -20.317 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.135 -5.990 -21.803 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.933 -2.817 -22.146 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.192 -4.316 -23.632 1.00 0.00 H new ATOM 0 HH TYR A 10 1.299 -2.632 -24.588 1.00 0.00 H new ATOM 164 N GLN A 11 0.163 -5.178 -17.519 1.00 0.00 N ATOM 165 CA GLN A 11 -0.947 -4.264 -17.126 1.00 0.00 C ATOM 166 C GLN A 11 -0.445 -3.255 -16.090 1.00 0.00 C ATOM 167 O GLN A 11 -0.985 -2.175 -15.951 1.00 0.00 O ATOM 168 CB GLN A 11 -2.092 -5.082 -16.524 1.00 0.00 C ATOM 169 CG GLN A 11 -2.836 -5.821 -17.638 1.00 0.00 C ATOM 170 CD GLN A 11 -4.340 -5.783 -17.361 1.00 0.00 C ATOM 171 OE1 GLN A 11 -5.074 -5.077 -18.022 1.00 0.00 O ATOM 172 NE2 GLN A 11 -4.833 -6.519 -16.402 1.00 0.00 N ATOM 0 H GLN A 11 0.022 -6.160 -17.281 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.302 -3.730 -18.008 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.701 -5.796 -15.799 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.778 -4.426 -15.988 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.621 -5.359 -18.602 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.492 -6.854 -17.696 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.217 -7.112 -15.846 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.834 -6.501 -16.208 1.00 0.00 H new ATOM 181 N VAL A 12 0.580 -3.596 -15.357 1.00 0.00 N ATOM 182 CA VAL A 12 1.107 -2.653 -14.328 1.00 0.00 C ATOM 183 C VAL A 12 2.179 -1.755 -14.950 1.00 0.00 C ATOM 184 O VAL A 12 2.524 -0.724 -14.410 1.00 0.00 O ATOM 185 CB VAL A 12 1.715 -3.447 -13.171 1.00 0.00 C ATOM 186 CG1 VAL A 12 2.937 -4.223 -13.665 1.00 0.00 C ATOM 187 CG2 VAL A 12 2.142 -2.483 -12.062 1.00 0.00 C ATOM 0 H VAL A 12 1.075 -4.485 -15.426 1.00 0.00 H new ATOM 0 HA VAL A 12 0.291 -2.034 -13.956 1.00 0.00 H new ATOM 0 HB VAL A 12 0.974 -4.146 -12.784 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.368 -4.788 -12.838 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.636 -4.910 -14.456 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.679 -3.525 -14.053 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.576 -3.047 -11.236 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.882 -1.784 -12.452 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.273 -1.930 -11.706 1.00 0.00 H new ATOM 197 N GLU A 13 2.708 -2.138 -16.080 1.00 0.00 N ATOM 198 CA GLU A 13 3.758 -1.304 -16.729 1.00 0.00 C ATOM 199 C GLU A 13 3.101 -0.142 -17.476 1.00 0.00 C ATOM 200 O GLU A 13 3.750 0.815 -17.850 1.00 0.00 O ATOM 201 CB GLU A 13 4.551 -2.159 -17.718 1.00 0.00 C ATOM 202 CG GLU A 13 5.899 -1.494 -18.004 1.00 0.00 C ATOM 203 CD GLU A 13 6.950 -2.568 -18.283 1.00 0.00 C ATOM 204 OE1 GLU A 13 7.557 -3.036 -17.333 1.00 0.00 O ATOM 205 OE2 GLU A 13 7.131 -2.906 -19.441 1.00 0.00 O ATOM 0 H GLU A 13 2.459 -2.991 -16.581 1.00 0.00 H new ATOM 0 HA GLU A 13 4.430 -0.912 -15.966 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.706 -3.157 -17.309 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.989 -2.278 -18.644 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.812 -0.825 -18.860 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.204 -0.885 -17.153 1.00 0.00 H new ATOM 212 N LEU A 14 1.818 -0.218 -17.700 1.00 0.00 N ATOM 213 CA LEU A 14 1.121 0.880 -18.425 1.00 0.00 C ATOM 214 C LEU A 14 1.091 2.137 -17.554 1.00 0.00 C ATOM 215 O LEU A 14 0.688 3.197 -17.992 1.00 0.00 O ATOM 216 CB LEU A 14 -0.311 0.447 -18.747 1.00 0.00 C ATOM 217 CG LEU A 14 -0.311 -1.005 -19.233 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.673 -1.339 -19.845 1.00 0.00 C ATOM 219 CD2 LEU A 14 0.779 -1.190 -20.292 1.00 0.00 C ATOM 0 H LEU A 14 1.222 -0.994 -17.412 1.00 0.00 H new ATOM 0 HA LEU A 14 1.654 1.097 -19.351 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.939 0.545 -17.862 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.735 1.097 -19.512 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.117 -1.668 -18.390 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.673 -2.373 -20.191 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.452 -1.208 -19.093 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.866 -0.675 -20.687 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.779 -2.224 -20.638 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.585 -0.526 -21.134 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.751 -0.952 -19.859 1.00 0.00 H new ATOM 231 N GLY A 15 1.515 2.032 -16.324 1.00 0.00 N ATOM 232 CA GLY A 15 1.507 3.225 -15.431 1.00 0.00 C ATOM 233 C GLY A 15 2.894 3.880 -15.433 1.00 0.00 C ATOM 234 O GLY A 15 3.214 4.640 -16.325 1.00 0.00 O ATOM 0 H GLY A 15 1.866 1.173 -15.900 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.756 3.939 -15.769 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.234 2.931 -14.417 1.00 0.00 H new ATOM 238 N PRO A 16 3.676 3.566 -14.430 1.00 0.00 N ATOM 239 CA PRO A 16 5.037 4.111 -14.284 1.00 0.00 C ATOM 240 C PRO A 16 6.011 3.381 -15.213 1.00 0.00 C ATOM 241 O PRO A 16 6.228 3.781 -16.340 1.00 0.00 O ATOM 242 CB PRO A 16 5.377 3.840 -12.816 1.00 0.00 C ATOM 243 CG PRO A 16 4.460 2.678 -12.364 1.00 0.00 C ATOM 244 CD PRO A 16 3.277 2.641 -13.350 1.00 0.00 C ATOM 0 HA PRO A 16 5.105 5.167 -14.545 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.428 3.572 -12.703 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.207 4.728 -12.207 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.001 1.732 -12.373 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.109 2.836 -11.344 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.107 1.634 -13.731 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.351 2.962 -12.873 1.00 0.00 H new ATOM 252 N GLY A 17 6.604 2.314 -14.748 1.00 0.00 N ATOM 253 CA GLY A 17 7.566 1.562 -15.603 1.00 0.00 C ATOM 254 C GLY A 17 8.812 1.210 -14.783 1.00 0.00 C ATOM 255 O GLY A 17 9.766 1.961 -14.759 1.00 0.00 O ATOM 0 H GLY A 17 6.463 1.931 -13.813 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.099 0.653 -15.982 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.845 2.162 -16.469 1.00 0.00 H new ATOM 259 N PRO A 18 8.761 0.073 -14.137 1.00 0.00 N ATOM 260 CA PRO A 18 9.873 -0.416 -13.303 1.00 0.00 C ATOM 261 C PRO A 18 10.978 -1.013 -14.181 1.00 0.00 C ATOM 262 O PRO A 18 11.974 -1.508 -13.690 1.00 0.00 O ATOM 263 CB PRO A 18 9.221 -1.497 -12.436 1.00 0.00 C ATOM 264 CG PRO A 18 7.953 -1.957 -13.193 1.00 0.00 C ATOM 265 CD PRO A 18 7.592 -0.830 -14.178 1.00 0.00 C ATOM 0 HA PRO A 18 10.346 0.370 -12.714 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.903 -2.332 -12.278 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.965 -1.104 -11.452 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.137 -2.891 -13.724 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.133 -2.141 -12.499 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.423 -1.218 -15.183 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.680 -0.315 -13.877 1.00 0.00 H new ATOM 273 N SER A 19 10.810 -0.969 -15.474 1.00 0.00 N ATOM 274 CA SER A 19 11.851 -1.534 -16.378 1.00 0.00 C ATOM 275 C SER A 19 13.023 -0.556 -16.476 1.00 0.00 C ATOM 276 O SER A 19 12.970 0.422 -17.195 1.00 0.00 O ATOM 277 CB SER A 19 11.253 -1.751 -17.769 1.00 0.00 C ATOM 278 OG SER A 19 9.875 -2.078 -17.642 1.00 0.00 O ATOM 0 H SER A 19 9.998 -0.567 -15.943 1.00 0.00 H new ATOM 0 HA SER A 19 12.202 -2.486 -15.980 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.371 -0.851 -18.373 1.00 0.00 H new ATOM 0 HB3 SER A 19 11.783 -2.552 -18.284 1.00 0.00 H new ATOM 0 HG SER A 19 9.781 -3.037 -17.465 1.00 0.00 H new ATOM 284 N GLY A 20 14.084 -0.813 -15.761 1.00 0.00 N ATOM 285 CA GLY A 20 15.259 0.102 -15.815 1.00 0.00 C ATOM 286 C GLY A 20 15.546 0.650 -14.417 1.00 0.00 C ATOM 287 O GLY A 20 15.101 1.721 -14.056 1.00 0.00 O ATOM 0 H GLY A 20 14.188 -1.617 -15.142 1.00 0.00 H new ATOM 0 HA2 GLY A 20 16.131 -0.431 -16.194 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.062 0.923 -16.505 1.00 0.00 H new ATOM 291 N ASP A 21 16.285 -0.077 -13.626 1.00 0.00 N ATOM 292 CA ASP A 21 16.601 0.404 -12.252 1.00 0.00 C ATOM 293 C ASP A 21 18.017 -0.032 -11.873 1.00 0.00 C ATOM 294 O ASP A 21 18.354 -0.143 -10.711 1.00 0.00 O ATOM 295 CB ASP A 21 15.601 -0.195 -11.259 1.00 0.00 C ATOM 296 CG ASP A 21 15.855 0.390 -9.867 1.00 0.00 C ATOM 297 OD1 ASP A 21 16.062 1.588 -9.777 1.00 0.00 O ATOM 298 OD2 ASP A 21 15.836 -0.373 -8.914 1.00 0.00 O ATOM 0 H ASP A 21 16.684 -0.983 -13.871 1.00 0.00 H new ATOM 0 HA ASP A 21 16.535 1.492 -12.224 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.581 0.023 -11.577 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.702 -1.280 -11.234 1.00 0.00 H new ATOM 303 N MET A 22 18.851 -0.281 -12.846 1.00 0.00 N ATOM 304 CA MET A 22 20.245 -0.708 -12.542 1.00 0.00 C ATOM 305 C MET A 22 21.132 0.526 -12.363 1.00 0.00 C ATOM 306 O MET A 22 22.315 0.419 -12.104 1.00 0.00 O ATOM 307 CB MET A 22 20.778 -1.560 -13.697 1.00 0.00 C ATOM 308 CG MET A 22 19.749 -2.632 -14.057 1.00 0.00 C ATOM 309 SD MET A 22 19.938 -3.094 -15.796 1.00 0.00 S ATOM 310 CE MET A 22 18.755 -4.463 -15.795 1.00 0.00 C ATOM 0 H MET A 22 18.626 -0.207 -13.838 1.00 0.00 H new ATOM 0 HA MET A 22 20.254 -1.294 -11.623 1.00 0.00 H new ATOM 0 HB2 MET A 22 20.982 -0.931 -14.563 1.00 0.00 H new ATOM 0 HB3 MET A 22 21.721 -2.027 -13.413 1.00 0.00 H new ATOM 0 HG2 MET A 22 19.883 -3.507 -13.421 1.00 0.00 H new ATOM 0 HG3 MET A 22 18.741 -2.258 -13.877 1.00 0.00 H new ATOM 0 HE1 MET A 22 18.709 -4.905 -16.790 1.00 0.00 H new ATOM 0 HE2 MET A 22 19.073 -5.218 -15.076 1.00 0.00 H new ATOM 0 HE3 MET A 22 17.769 -4.091 -15.518 1.00 0.00 H new ATOM 320 N ALA A 23 20.571 1.698 -12.496 1.00 0.00 N ATOM 321 CA ALA A 23 21.384 2.934 -12.330 1.00 0.00 C ATOM 322 C ALA A 23 21.400 3.339 -10.856 1.00 0.00 C ATOM 323 O ALA A 23 22.367 3.882 -10.360 1.00 0.00 O ATOM 324 CB ALA A 23 20.770 4.062 -13.162 1.00 0.00 C ATOM 0 H ALA A 23 19.586 1.851 -12.712 1.00 0.00 H new ATOM 0 HA ALA A 23 22.404 2.747 -12.666 1.00 0.00 H new ATOM 0 HB1 ALA A 23 21.364 4.968 -13.042 1.00 0.00 H new ATOM 0 HB2 ALA A 23 20.757 3.773 -14.213 1.00 0.00 H new ATOM 0 HB3 ALA A 23 19.751 4.249 -12.825 1.00 0.00 H new ATOM 330 N ALA A 24 20.335 3.077 -10.148 1.00 0.00 N ATOM 331 CA ALA A 24 20.290 3.446 -8.706 1.00 0.00 C ATOM 332 C ALA A 24 21.125 2.448 -7.901 1.00 0.00 C ATOM 333 O ALA A 24 22.061 2.815 -7.219 1.00 0.00 O ATOM 334 CB ALA A 24 18.841 3.413 -8.215 1.00 0.00 C ATOM 0 H ALA A 24 19.495 2.623 -10.507 1.00 0.00 H new ATOM 0 HA ALA A 24 20.694 4.450 -8.574 1.00 0.00 H new ATOM 0 HB1 ALA A 24 18.808 3.683 -7.160 1.00 0.00 H new ATOM 0 HB2 ALA A 24 18.246 4.123 -8.790 1.00 0.00 H new ATOM 0 HB3 ALA A 24 18.435 2.410 -8.346 1.00 0.00 H new ATOM 340 N LYS A 25 20.795 1.188 -7.976 1.00 0.00 N ATOM 341 CA LYS A 25 21.573 0.168 -7.217 1.00 0.00 C ATOM 342 C LYS A 25 23.064 0.343 -7.508 1.00 0.00 C ATOM 343 O LYS A 25 23.906 0.082 -6.673 1.00 0.00 O ATOM 344 CB LYS A 25 21.130 -1.234 -7.643 1.00 0.00 C ATOM 345 CG LYS A 25 19.944 -1.680 -6.784 1.00 0.00 C ATOM 346 CD LYS A 25 20.331 -2.926 -5.986 1.00 0.00 C ATOM 347 CE LYS A 25 19.146 -3.891 -5.935 1.00 0.00 C ATOM 348 NZ LYS A 25 19.645 -5.295 -5.977 1.00 0.00 N ATOM 0 H LYS A 25 20.021 0.821 -8.529 1.00 0.00 H new ATOM 0 HA LYS A 25 21.394 0.296 -6.149 1.00 0.00 H new ATOM 0 HB2 LYS A 25 20.849 -1.234 -8.696 1.00 0.00 H new ATOM 0 HB3 LYS A 25 21.956 -1.937 -7.533 1.00 0.00 H new ATOM 0 HG2 LYS A 25 19.650 -0.878 -6.107 1.00 0.00 H new ATOM 0 HG3 LYS A 25 19.083 -1.894 -7.417 1.00 0.00 H new ATOM 0 HD2 LYS A 25 21.190 -3.413 -6.447 1.00 0.00 H new ATOM 0 HD3 LYS A 25 20.628 -2.645 -4.976 1.00 0.00 H new ATOM 0 HE2 LYS A 25 18.568 -3.726 -5.025 1.00 0.00 H new ATOM 0 HE3 LYS A 25 18.477 -3.706 -6.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.839 -5.951 -5.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 20.178 -5.448 -6.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 20.267 -5.467 -5.161 1.00 0.00 H new ATOM 362 N MET A 26 23.399 0.783 -8.691 1.00 0.00 N ATOM 363 CA MET A 26 24.835 0.976 -9.037 1.00 0.00 C ATOM 364 C MET A 26 25.402 2.148 -8.232 1.00 0.00 C ATOM 365 O MET A 26 26.472 2.064 -7.663 1.00 0.00 O ATOM 366 CB MET A 26 24.966 1.273 -10.532 1.00 0.00 C ATOM 367 CG MET A 26 25.003 -0.041 -11.314 1.00 0.00 C ATOM 368 SD MET A 26 26.725 -0.508 -11.623 1.00 0.00 S ATOM 369 CE MET A 26 26.388 -1.865 -12.774 1.00 0.00 C ATOM 0 H MET A 26 22.739 1.017 -9.433 1.00 0.00 H new ATOM 0 HA MET A 26 25.390 0.069 -8.798 1.00 0.00 H new ATOM 0 HB2 MET A 26 24.128 1.884 -10.867 1.00 0.00 H new ATOM 0 HB3 MET A 26 25.874 1.846 -10.721 1.00 0.00 H new ATOM 0 HG2 MET A 26 24.497 -0.826 -10.752 1.00 0.00 H new ATOM 0 HG3 MET A 26 24.470 0.070 -12.258 1.00 0.00 H new ATOM 0 HE1 MET A 26 27.329 -2.308 -13.100 1.00 0.00 H new ATOM 0 HE2 MET A 26 25.783 -2.623 -12.276 1.00 0.00 H new ATOM 0 HE3 MET A 26 25.848 -1.482 -13.640 1.00 0.00 H new ATOM 379 N SER A 27 24.691 3.242 -8.183 1.00 0.00 N ATOM 380 CA SER A 27 25.190 4.420 -7.418 1.00 0.00 C ATOM 381 C SER A 27 25.400 4.030 -5.953 1.00 0.00 C ATOM 382 O SER A 27 26.432 4.302 -5.371 1.00 0.00 O ATOM 383 CB SER A 27 24.165 5.553 -7.501 1.00 0.00 C ATOM 384 OG SER A 27 24.716 6.633 -8.244 1.00 0.00 O ATOM 0 H SER A 27 23.788 3.371 -8.639 1.00 0.00 H new ATOM 0 HA SER A 27 26.137 4.753 -7.843 1.00 0.00 H new ATOM 0 HB2 SER A 27 23.251 5.198 -7.977 1.00 0.00 H new ATOM 0 HB3 SER A 27 23.893 5.887 -6.500 1.00 0.00 H new ATOM 0 HG SER A 27 24.061 7.359 -8.300 1.00 0.00 H new ATOM 390 N LYS A 28 24.431 3.398 -5.351 1.00 0.00 N ATOM 391 CA LYS A 28 24.578 2.995 -3.923 1.00 0.00 C ATOM 392 C LYS A 28 25.772 2.049 -3.778 1.00 0.00 C ATOM 393 O LYS A 28 26.516 2.117 -2.820 1.00 0.00 O ATOM 394 CB LYS A 28 23.305 2.284 -3.461 1.00 0.00 C ATOM 395 CG LYS A 28 22.996 2.680 -2.015 1.00 0.00 C ATOM 396 CD LYS A 28 22.587 1.439 -1.220 1.00 0.00 C ATOM 397 CE LYS A 28 22.846 1.679 0.268 1.00 0.00 C ATOM 398 NZ LYS A 28 22.110 2.896 0.710 1.00 0.00 N ATOM 0 H LYS A 28 23.544 3.143 -5.785 1.00 0.00 H new ATOM 0 HA LYS A 28 24.742 3.882 -3.311 1.00 0.00 H new ATOM 0 HB2 LYS A 28 22.470 2.552 -4.109 1.00 0.00 H new ATOM 0 HB3 LYS A 28 23.432 1.204 -3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 28 23.871 3.144 -1.559 1.00 0.00 H new ATOM 0 HG3 LYS A 28 22.195 3.419 -1.993 1.00 0.00 H new ATOM 0 HD2 LYS A 28 21.532 1.219 -1.386 1.00 0.00 H new ATOM 0 HD3 LYS A 28 23.151 0.572 -1.563 1.00 0.00 H new ATOM 0 HE2 LYS A 28 22.523 0.815 0.848 1.00 0.00 H new ATOM 0 HE3 LYS A 28 23.914 1.802 0.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 22.028 2.895 1.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 22.627 3.745 0.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 21.160 2.899 0.288 1.00 0.00 H new ATOM 412 N LYS A 29 25.960 1.166 -4.720 1.00 0.00 N ATOM 413 CA LYS A 29 27.104 0.215 -4.633 1.00 0.00 C ATOM 414 C LYS A 29 28.420 0.996 -4.616 1.00 0.00 C ATOM 415 O LYS A 29 29.333 0.675 -3.882 1.00 0.00 O ATOM 416 CB LYS A 29 27.084 -0.721 -5.843 1.00 0.00 C ATOM 417 CG LYS A 29 26.873 -2.161 -5.370 1.00 0.00 C ATOM 418 CD LYS A 29 25.379 -2.485 -5.369 1.00 0.00 C ATOM 419 CE LYS A 29 25.059 -3.416 -4.198 1.00 0.00 C ATOM 420 NZ LYS A 29 25.747 -4.721 -4.399 1.00 0.00 N ATOM 0 H LYS A 29 25.371 1.062 -5.546 1.00 0.00 H new ATOM 0 HA LYS A 29 27.018 -0.371 -3.718 1.00 0.00 H new ATOM 0 HB2 LYS A 29 26.287 -0.431 -6.527 1.00 0.00 H new ATOM 0 HB3 LYS A 29 28.021 -0.641 -6.394 1.00 0.00 H new ATOM 0 HG2 LYS A 29 27.405 -2.851 -6.025 1.00 0.00 H new ATOM 0 HG3 LYS A 29 27.284 -2.290 -4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 29 24.797 -1.567 -5.287 1.00 0.00 H new ATOM 0 HD3 LYS A 29 25.098 -2.957 -6.310 1.00 0.00 H new ATOM 0 HE2 LYS A 29 25.382 -2.963 -3.261 1.00 0.00 H new ATOM 0 HE3 LYS A 29 23.982 -3.568 -4.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 25.437 -5.393 -3.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 25.509 -5.098 -5.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 26.776 -4.585 -4.330 1.00 0.00 H new ATOM 434 N LYS A 30 28.527 2.019 -5.420 1.00 0.00 N ATOM 435 CA LYS A 30 29.787 2.815 -5.446 1.00 0.00 C ATOM 436 C LYS A 30 29.450 4.307 -5.413 1.00 0.00 C ATOM 437 O LYS A 30 29.472 4.981 -6.423 1.00 0.00 O ATOM 438 CB LYS A 30 30.562 2.497 -6.726 1.00 0.00 C ATOM 439 CG LYS A 30 32.011 2.154 -6.372 1.00 0.00 C ATOM 440 CD LYS A 30 32.946 3.207 -6.970 1.00 0.00 C ATOM 441 CE LYS A 30 34.324 2.588 -7.208 1.00 0.00 C ATOM 442 NZ LYS A 30 34.329 1.872 -8.515 1.00 0.00 N ATOM 0 H LYS A 30 27.798 2.337 -6.059 1.00 0.00 H new ATOM 0 HA LYS A 30 30.395 2.561 -4.578 1.00 0.00 H new ATOM 0 HB2 LYS A 30 30.096 1.661 -7.248 1.00 0.00 H new ATOM 0 HB3 LYS A 30 30.534 3.351 -7.403 1.00 0.00 H new ATOM 0 HG2 LYS A 30 32.133 2.117 -5.289 1.00 0.00 H new ATOM 0 HG3 LYS A 30 32.266 1.166 -6.756 1.00 0.00 H new ATOM 0 HD2 LYS A 30 32.537 3.582 -7.908 1.00 0.00 H new ATOM 0 HD3 LYS A 30 33.030 4.059 -6.296 1.00 0.00 H new ATOM 0 HE2 LYS A 30 35.089 3.365 -7.204 1.00 0.00 H new ATOM 0 HE3 LYS A 30 34.568 1.896 -6.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 35.266 1.451 -8.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 33.610 1.121 -8.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 34.115 2.544 -9.280 1.00 0.00 H new ATOM 456 N ALA A 31 29.141 4.827 -4.257 1.00 0.00 N ATOM 457 CA ALA A 31 28.806 6.276 -4.158 1.00 0.00 C ATOM 458 C ALA A 31 29.657 6.921 -3.063 1.00 0.00 C ATOM 459 O ALA A 31 30.690 7.503 -3.326 1.00 0.00 O ATOM 460 CB ALA A 31 27.323 6.435 -3.814 1.00 0.00 C ATOM 0 H ALA A 31 29.106 4.312 -3.377 1.00 0.00 H new ATOM 0 HA ALA A 31 29.011 6.763 -5.111 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.078 7.495 -3.742 1.00 0.00 H new ATOM 0 HB2 ALA A 31 26.717 5.975 -4.595 1.00 0.00 H new ATOM 0 HB3 ALA A 31 27.117 5.949 -2.861 1.00 0.00 H new ATOM 466 N GLY A 32 29.232 6.821 -1.833 1.00 0.00 N ATOM 467 CA GLY A 32 30.016 7.428 -0.722 1.00 0.00 C ATOM 468 C GLY A 32 30.012 8.952 -0.863 1.00 0.00 C ATOM 469 O GLY A 32 30.703 9.509 -1.693 1.00 0.00 O ATOM 0 H GLY A 32 28.375 6.345 -1.550 1.00 0.00 H new ATOM 0 HA2 GLY A 32 29.588 7.141 0.238 1.00 0.00 H new ATOM 0 HA3 GLY A 32 31.040 7.054 -0.739 1.00 0.00 H new ATOM 473 N ARG A 33 29.236 9.629 -0.062 1.00 0.00 N ATOM 474 CA ARG A 33 29.189 11.115 -0.153 1.00 0.00 C ATOM 475 C ARG A 33 30.547 11.693 0.248 1.00 0.00 C ATOM 476 O ARG A 33 31.283 11.100 1.012 1.00 0.00 O ATOM 477 CB ARG A 33 28.108 11.650 0.789 1.00 0.00 C ATOM 478 CG ARG A 33 26.900 12.112 -0.029 1.00 0.00 C ATOM 479 CD ARG A 33 25.632 11.448 0.511 1.00 0.00 C ATOM 480 NE ARG A 33 24.857 12.436 1.314 1.00 0.00 N ATOM 481 CZ ARG A 33 23.639 12.160 1.689 1.00 0.00 C ATOM 482 NH1 ARG A 33 23.357 10.982 2.177 1.00 0.00 N ATOM 483 NH2 ARG A 33 22.701 13.060 1.577 1.00 0.00 N ATOM 0 H ARG A 33 28.633 9.218 0.651 1.00 0.00 H new ATOM 0 HA ARG A 33 28.957 11.409 -1.176 1.00 0.00 H new ATOM 0 HB2 ARG A 33 27.808 10.874 1.493 1.00 0.00 H new ATOM 0 HB3 ARG A 33 28.501 12.479 1.377 1.00 0.00 H new ATOM 0 HG2 ARG A 33 26.806 13.197 0.024 1.00 0.00 H new ATOM 0 HG3 ARG A 33 27.039 11.855 -1.079 1.00 0.00 H new ATOM 0 HD2 ARG A 33 25.024 11.077 -0.314 1.00 0.00 H new ATOM 0 HD3 ARG A 33 25.893 10.588 1.127 1.00 0.00 H new ATOM 0 HE ARG A 33 25.280 13.328 1.570 1.00 0.00 H new ATOM 0 HH11 ARG A 33 24.090 10.278 2.265 1.00 0.00 H new ATOM 0 HH12 ARG A 33 22.404 10.766 2.470 1.00 0.00 H new ATOM 0 HH21 ARG A 33 22.920 13.980 1.196 1.00 0.00 H new ATOM 0 HH22 ARG A 33 21.749 12.843 1.871 1.00 0.00 H new ATOM 497 N GLY A 34 30.886 12.845 -0.263 1.00 0.00 N ATOM 498 CA GLY A 34 32.198 13.458 0.088 1.00 0.00 C ATOM 499 C GLY A 34 31.981 14.587 1.096 1.00 0.00 C ATOM 500 O GLY A 34 32.714 15.561 1.033 1.00 0.00 O ATOM 501 OXT GLY A 34 31.085 14.461 1.914 1.00 0.00 O ATOM 0 H GLY A 34 30.312 13.388 -0.908 1.00 0.00 H new ATOM 0 HA2 GLY A 34 32.863 12.704 0.509 1.00 0.00 H new ATOM 0 HA3 GLY A 34 32.682 13.845 -0.809 1.00 0.00 H new TER 505 GLY A 34