USER MOD reduce.3.24.130724 H: found=0, std=0, add=254, rem=0, adj=6 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+ 180:sc= 0 (180deg=0) 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=-0.015) 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 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 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 146:sc= -0.506 (180deg=-2.99!) 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+ 128:sc= -0.0325 (180deg=-0.519) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.999 -20.917 -16.179 1.00 0.00 N ATOM 2 CA MET A 1 -5.589 -19.714 -15.402 1.00 0.00 C ATOM 3 C MET A 1 -4.082 -19.499 -15.554 1.00 0.00 C ATOM 4 O MET A 1 -3.639 -18.514 -16.109 1.00 0.00 O ATOM 5 CB MET A 1 -5.930 -19.923 -13.924 1.00 0.00 C ATOM 6 CG MET A 1 -6.106 -18.564 -13.244 1.00 0.00 C ATOM 7 SD MET A 1 -6.102 -18.782 -11.447 1.00 0.00 S ATOM 8 CE MET A 1 -7.641 -17.894 -11.106 1.00 0.00 C ATOM 0 H1 MET A 1 -7.023 -21.064 -16.076 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.768 -20.777 -17.183 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.492 -21.751 -15.821 1.00 0.00 H new ATOM 0 HA MET A 1 -6.120 -18.839 -15.777 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.844 -20.510 -13.830 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.137 -20.487 -13.433 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.302 -17.890 -13.541 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.041 -18.104 -13.563 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.837 -17.904 -10.034 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.550 -16.863 -11.448 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.465 -18.379 -11.630 1.00 0.00 H new ATOM 20 N GLY A 2 -3.290 -20.413 -15.062 1.00 0.00 N ATOM 21 CA GLY A 2 -1.811 -20.259 -15.178 1.00 0.00 C ATOM 22 C GLY A 2 -1.354 -19.056 -14.353 1.00 0.00 C ATOM 23 O GLY A 2 -2.153 -18.358 -13.761 1.00 0.00 O ATOM 0 H GLY A 2 -3.603 -21.259 -14.585 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -1.313 -21.163 -14.828 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -1.530 -20.124 -16.223 1.00 0.00 H new ATOM 27 N LYS A 3 -0.075 -18.807 -14.306 1.00 0.00 N ATOM 28 CA LYS A 3 0.432 -17.649 -13.518 1.00 0.00 C ATOM 29 C LYS A 3 0.242 -16.363 -14.324 1.00 0.00 C ATOM 30 O LYS A 3 -0.082 -15.323 -13.785 1.00 0.00 O ATOM 31 CB LYS A 3 1.920 -17.846 -13.217 1.00 0.00 C ATOM 32 CG LYS A 3 2.243 -17.259 -11.842 1.00 0.00 C ATOM 33 CD LYS A 3 3.506 -17.921 -11.289 1.00 0.00 C ATOM 34 CE LYS A 3 3.979 -17.162 -10.049 1.00 0.00 C ATOM 35 NZ LYS A 3 5.447 -17.354 -9.879 1.00 0.00 N ATOM 0 H LYS A 3 0.642 -19.356 -14.780 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.121 -17.578 -12.581 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.169 -18.907 -13.239 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.525 -17.360 -13.983 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.389 -16.182 -11.920 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.407 -17.419 -11.161 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.303 -18.962 -11.036 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.289 -17.924 -12.047 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.749 -16.101 -10.149 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.450 -17.521 -9.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.769 -16.838 -9.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.654 -18.367 -9.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.944 -16.991 -10.718 1.00 0.00 H new ATOM 49 N ALA A 4 0.440 -16.425 -15.613 1.00 0.00 N ATOM 50 CA ALA A 4 0.270 -15.206 -16.452 1.00 0.00 C ATOM 51 C ALA A 4 1.016 -14.036 -15.810 1.00 0.00 C ATOM 52 O ALA A 4 0.467 -12.971 -15.611 1.00 0.00 O ATOM 53 CB ALA A 4 -1.218 -14.865 -16.560 1.00 0.00 C ATOM 0 H ALA A 4 0.712 -17.267 -16.120 1.00 0.00 H new ATOM 0 HA ALA A 4 0.674 -15.391 -17.447 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -1.343 -13.973 -17.174 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -1.750 -15.699 -17.018 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -1.622 -14.680 -15.565 1.00 0.00 H new ATOM 59 N GLU A 5 2.267 -14.226 -15.484 1.00 0.00 N ATOM 60 CA GLU A 5 3.049 -13.124 -14.856 1.00 0.00 C ATOM 61 C GLU A 5 3.276 -12.015 -15.885 1.00 0.00 C ATOM 62 O GLU A 5 3.386 -10.854 -15.545 1.00 0.00 O ATOM 63 CB GLU A 5 4.398 -13.664 -14.379 1.00 0.00 C ATOM 64 CG GLU A 5 4.213 -14.392 -13.045 1.00 0.00 C ATOM 65 CD GLU A 5 3.931 -13.372 -11.940 1.00 0.00 C ATOM 66 OE1 GLU A 5 4.512 -12.300 -11.987 1.00 0.00 O ATOM 67 OE2 GLU A 5 3.138 -13.680 -11.066 1.00 0.00 O ATOM 0 H GLU A 5 2.780 -15.096 -15.626 1.00 0.00 H new ATOM 0 HA GLU A 5 2.499 -12.724 -14.005 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.813 -14.345 -15.123 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.109 -12.846 -14.264 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.389 -15.102 -13.118 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.108 -14.966 -12.805 1.00 0.00 H new ATOM 74 N ASN A 6 3.345 -12.363 -17.139 1.00 0.00 N ATOM 75 CA ASN A 6 3.562 -11.327 -18.189 1.00 0.00 C ATOM 76 C ASN A 6 2.252 -10.579 -18.440 1.00 0.00 C ATOM 77 O ASN A 6 2.244 -9.445 -18.877 1.00 0.00 O ATOM 78 CB ASN A 6 4.021 -12.000 -19.483 1.00 0.00 C ATOM 79 CG ASN A 6 5.539 -12.177 -19.458 1.00 0.00 C ATOM 80 OD1 ASN A 6 6.276 -11.212 -19.521 1.00 0.00 O ATOM 81 ND2 ASN A 6 6.044 -13.377 -19.368 1.00 0.00 N ATOM 0 H ASN A 6 3.261 -13.319 -17.483 1.00 0.00 H new ATOM 0 HA ASN A 6 4.326 -10.624 -17.856 1.00 0.00 H new ATOM 0 HB2 ASN A 6 3.534 -12.969 -19.594 1.00 0.00 H new ATOM 0 HB3 ASN A 6 3.729 -11.396 -20.342 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.056 -13.505 -19.351 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.427 -14.187 -19.315 1.00 0.00 H new ATOM 88 N TYR A 7 1.142 -11.206 -18.164 1.00 0.00 N ATOM 89 CA TYR A 7 -0.172 -10.537 -18.384 1.00 0.00 C ATOM 90 C TYR A 7 -0.357 -9.424 -17.347 1.00 0.00 C ATOM 91 O TYR A 7 -0.605 -8.283 -17.684 1.00 0.00 O ATOM 92 CB TYR A 7 -1.292 -11.579 -18.250 1.00 0.00 C ATOM 93 CG TYR A 7 -2.611 -10.897 -17.959 1.00 0.00 C ATOM 94 CD1 TYR A 7 -3.381 -10.381 -19.010 1.00 0.00 C ATOM 95 CD2 TYR A 7 -3.061 -10.782 -16.639 1.00 0.00 C ATOM 96 CE1 TYR A 7 -4.601 -9.750 -18.737 1.00 0.00 C ATOM 97 CE2 TYR A 7 -4.281 -10.152 -16.367 1.00 0.00 C ATOM 98 CZ TYR A 7 -5.051 -9.636 -17.416 1.00 0.00 C ATOM 99 OH TYR A 7 -6.254 -9.015 -17.149 1.00 0.00 O ATOM 0 H TYR A 7 1.088 -12.155 -17.795 1.00 0.00 H new ATOM 0 HA TYR A 7 -0.206 -10.098 -19.381 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.370 -12.160 -19.169 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.053 -12.280 -17.450 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.034 -10.470 -20.029 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.467 -11.180 -15.830 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -5.195 -9.351 -19.546 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.628 -10.064 -15.348 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.418 -9.022 -16.183 1.00 0.00 H new ATOM 109 N GLU A 8 -0.241 -9.747 -16.088 1.00 0.00 N ATOM 110 CA GLU A 8 -0.414 -8.707 -15.033 1.00 0.00 C ATOM 111 C GLU A 8 0.790 -7.762 -15.038 1.00 0.00 C ATOM 112 O GLU A 8 0.646 -6.558 -14.989 1.00 0.00 O ATOM 113 CB GLU A 8 -0.524 -9.383 -13.666 1.00 0.00 C ATOM 114 CG GLU A 8 -1.958 -9.254 -13.144 1.00 0.00 C ATOM 115 CD GLU A 8 -2.218 -7.808 -12.720 1.00 0.00 C ATOM 116 OE1 GLU A 8 -1.832 -6.916 -13.455 1.00 0.00 O ATOM 117 OE2 GLU A 8 -2.800 -7.618 -11.664 1.00 0.00 O ATOM 0 H GLU A 8 -0.034 -10.685 -15.744 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.321 -8.137 -15.233 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.248 -10.435 -13.746 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.172 -8.923 -12.964 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.666 -9.550 -13.918 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.110 -9.925 -12.299 1.00 0.00 H new ATOM 124 N LEU A 9 1.978 -8.301 -15.089 1.00 0.00 N ATOM 125 CA LEU A 9 3.191 -7.432 -15.090 1.00 0.00 C ATOM 126 C LEU A 9 3.125 -6.454 -16.265 1.00 0.00 C ATOM 127 O LEU A 9 3.779 -5.431 -16.269 1.00 0.00 O ATOM 128 CB LEU A 9 4.441 -8.305 -15.223 1.00 0.00 C ATOM 129 CG LEU A 9 5.688 -7.446 -15.008 1.00 0.00 C ATOM 130 CD1 LEU A 9 6.710 -8.225 -14.176 1.00 0.00 C ATOM 131 CD2 LEU A 9 6.300 -7.089 -16.363 1.00 0.00 C ATOM 0 H LEU A 9 2.162 -9.304 -15.130 1.00 0.00 H new ATOM 0 HA LEU A 9 3.234 -6.871 -14.157 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.413 -9.113 -14.492 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.471 -8.768 -16.209 1.00 0.00 H new ATOM 0 HG LEU A 9 5.412 -6.533 -14.481 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.598 -7.612 -14.023 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.274 -8.479 -13.210 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.986 -9.139 -14.702 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.189 -6.477 -16.211 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.575 -8.003 -16.890 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.573 -6.533 -16.955 1.00 0.00 H new ATOM 143 N TYR A 10 2.345 -6.762 -17.265 1.00 0.00 N ATOM 144 CA TYR A 10 2.245 -5.848 -18.440 1.00 0.00 C ATOM 145 C TYR A 10 1.209 -4.759 -18.159 1.00 0.00 C ATOM 146 O TYR A 10 1.481 -3.581 -18.296 1.00 0.00 O ATOM 147 CB TYR A 10 1.821 -6.648 -19.672 1.00 0.00 C ATOM 148 CG TYR A 10 1.988 -5.799 -20.910 1.00 0.00 C ATOM 149 CD1 TYR A 10 3.260 -5.345 -21.282 1.00 0.00 C ATOM 150 CD2 TYR A 10 0.872 -5.464 -21.685 1.00 0.00 C ATOM 151 CE1 TYR A 10 3.416 -4.559 -22.429 1.00 0.00 C ATOM 152 CE2 TYR A 10 1.027 -4.676 -22.832 1.00 0.00 C ATOM 153 CZ TYR A 10 2.298 -4.224 -23.205 1.00 0.00 C ATOM 154 OH TYR A 10 2.450 -3.449 -24.336 1.00 0.00 O ATOM 0 H TYR A 10 1.773 -7.605 -17.320 1.00 0.00 H new ATOM 0 HA TYR A 10 3.215 -5.385 -18.621 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.423 -7.553 -19.755 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.783 -6.964 -19.573 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.121 -5.602 -20.683 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.109 -5.813 -21.398 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.397 -4.211 -22.716 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.165 -4.417 -23.429 1.00 0.00 H new ATOM 0 HH TYR A 10 1.576 -3.311 -24.758 1.00 0.00 H new ATOM 164 N GLN A 11 0.022 -5.138 -17.774 1.00 0.00 N ATOM 165 CA GLN A 11 -1.033 -4.123 -17.492 1.00 0.00 C ATOM 166 C GLN A 11 -0.559 -3.175 -16.386 1.00 0.00 C ATOM 167 O GLN A 11 -0.979 -2.039 -16.309 1.00 0.00 O ATOM 168 CB GLN A 11 -2.311 -4.831 -17.043 1.00 0.00 C ATOM 169 CG GLN A 11 -3.085 -5.316 -18.271 1.00 0.00 C ATOM 170 CD GLN A 11 -4.307 -4.422 -18.490 1.00 0.00 C ATOM 171 OE1 GLN A 11 -5.407 -4.773 -18.110 1.00 0.00 O ATOM 172 NE2 GLN A 11 -4.161 -3.275 -19.093 1.00 0.00 N ATOM 0 H GLN A 11 -0.264 -6.108 -17.642 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.231 -3.548 -18.397 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.065 -5.675 -16.399 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.929 -4.151 -16.456 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.442 -5.294 -19.151 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.398 -6.351 -18.131 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.238 -2.980 -19.412 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.970 -2.673 -19.246 1.00 0.00 H new ATOM 181 N VAL A 12 0.312 -3.633 -15.528 1.00 0.00 N ATOM 182 CA VAL A 12 0.805 -2.754 -14.429 1.00 0.00 C ATOM 183 C VAL A 12 2.007 -1.944 -14.919 1.00 0.00 C ATOM 184 O VAL A 12 2.288 -0.872 -14.421 1.00 0.00 O ATOM 185 CB VAL A 12 1.221 -3.615 -13.235 1.00 0.00 C ATOM 186 CG1 VAL A 12 2.423 -4.478 -13.621 1.00 0.00 C ATOM 187 CG2 VAL A 12 1.599 -2.711 -12.061 1.00 0.00 C ATOM 0 H VAL A 12 0.703 -4.575 -15.540 1.00 0.00 H new ATOM 0 HA VAL A 12 0.010 -2.073 -14.126 1.00 0.00 H new ATOM 0 HB VAL A 12 0.390 -4.259 -12.946 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.719 -5.091 -12.770 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.154 -5.123 -14.457 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.254 -3.835 -13.912 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.895 -3.324 -11.210 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.429 -2.067 -12.351 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.742 -2.097 -11.784 1.00 0.00 H new ATOM 197 N GLU A 13 2.720 -2.448 -15.890 1.00 0.00 N ATOM 198 CA GLU A 13 3.903 -1.704 -16.406 1.00 0.00 C ATOM 199 C GLU A 13 3.445 -0.658 -17.426 1.00 0.00 C ATOM 200 O GLU A 13 4.187 0.234 -17.789 1.00 0.00 O ATOM 201 CB GLU A 13 4.867 -2.683 -17.080 1.00 0.00 C ATOM 202 CG GLU A 13 6.032 -2.986 -16.135 1.00 0.00 C ATOM 203 CD GLU A 13 6.938 -4.047 -16.764 1.00 0.00 C ATOM 204 OE1 GLU A 13 6.647 -4.461 -17.874 1.00 0.00 O ATOM 205 OE2 GLU A 13 7.903 -4.426 -16.125 1.00 0.00 O ATOM 0 H GLU A 13 2.534 -3.341 -16.347 1.00 0.00 H new ATOM 0 HA GLU A 13 4.408 -1.207 -15.578 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.345 -3.605 -17.338 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.242 -2.258 -18.011 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.601 -2.077 -15.939 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.653 -3.338 -15.176 1.00 0.00 H new ATOM 212 N LEU A 14 2.230 -0.760 -17.891 1.00 0.00 N ATOM 213 CA LEU A 14 1.730 0.230 -18.886 1.00 0.00 C ATOM 214 C LEU A 14 1.693 1.620 -18.248 1.00 0.00 C ATOM 215 O LEU A 14 2.232 2.571 -18.779 1.00 0.00 O ATOM 216 CB LEU A 14 0.320 -0.164 -19.335 1.00 0.00 C ATOM 217 CG LEU A 14 0.354 -0.606 -20.798 1.00 0.00 C ATOM 218 CD1 LEU A 14 1.044 0.466 -21.643 1.00 0.00 C ATOM 219 CD2 LEU A 14 1.127 -1.920 -20.916 1.00 0.00 C ATOM 0 H LEU A 14 1.563 -1.485 -17.625 1.00 0.00 H new ATOM 0 HA LEU A 14 2.395 0.244 -19.750 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.060 -0.972 -18.709 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.360 0.679 -19.215 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.666 -0.749 -21.155 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.067 0.149 -22.685 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.494 1.404 -21.561 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.063 0.611 -21.285 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.151 -2.235 -21.959 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.146 -1.776 -20.556 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.635 -2.686 -20.317 1.00 0.00 H new ATOM 231 N GLY A 15 1.065 1.746 -17.112 1.00 0.00 N ATOM 232 CA GLY A 15 0.998 3.074 -16.440 1.00 0.00 C ATOM 233 C GLY A 15 2.286 3.307 -15.645 1.00 0.00 C ATOM 234 O GLY A 15 3.078 2.402 -15.475 1.00 0.00 O ATOM 0 H GLY A 15 0.595 0.986 -16.620 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.867 3.863 -17.181 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.135 3.115 -15.775 1.00 0.00 H new ATOM 238 N PRO A 16 2.454 4.519 -15.182 1.00 0.00 N ATOM 239 CA PRO A 16 3.638 4.911 -14.397 1.00 0.00 C ATOM 240 C PRO A 16 3.510 4.415 -12.954 1.00 0.00 C ATOM 241 O PRO A 16 3.911 3.314 -12.628 1.00 0.00 O ATOM 242 CB PRO A 16 3.615 6.441 -14.458 1.00 0.00 C ATOM 243 CG PRO A 16 2.154 6.844 -14.770 1.00 0.00 C ATOM 244 CD PRO A 16 1.481 5.609 -15.397 1.00 0.00 C ATOM 0 HA PRO A 16 4.568 4.489 -14.778 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.943 6.872 -13.512 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.292 6.809 -15.229 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.634 7.149 -13.862 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.124 7.691 -15.455 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.526 5.390 -14.920 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.280 5.760 -16.458 1.00 0.00 H new ATOM 252 N GLY A 17 2.954 5.216 -12.086 1.00 0.00 N ATOM 253 CA GLY A 17 2.800 4.788 -10.667 1.00 0.00 C ATOM 254 C GLY A 17 1.820 5.727 -9.960 1.00 0.00 C ATOM 255 O GLY A 17 0.649 5.424 -9.844 1.00 0.00 O ATOM 0 H GLY A 17 2.600 6.149 -12.299 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.435 3.762 -10.622 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.766 4.805 -10.163 1.00 0.00 H new ATOM 259 N PRO A 18 2.331 6.845 -9.512 1.00 0.00 N ATOM 260 CA PRO A 18 1.528 7.860 -8.811 1.00 0.00 C ATOM 261 C PRO A 18 0.713 8.677 -9.819 1.00 0.00 C ATOM 262 O PRO A 18 -0.475 8.874 -9.657 1.00 0.00 O ATOM 263 CB PRO A 18 2.577 8.733 -8.118 1.00 0.00 C ATOM 264 CG PRO A 18 3.898 8.531 -8.898 1.00 0.00 C ATOM 265 CD PRO A 18 3.759 7.199 -9.661 1.00 0.00 C ATOM 0 HA PRO A 18 0.809 7.434 -8.111 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.277 9.781 -8.127 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.694 8.444 -7.074 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.071 9.357 -9.588 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.749 8.501 -8.218 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.035 7.310 -10.710 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.406 6.429 -9.241 1.00 0.00 H new ATOM 273 N SER A 19 1.344 9.154 -10.856 1.00 0.00 N ATOM 274 CA SER A 19 0.609 9.956 -11.873 1.00 0.00 C ATOM 275 C SER A 19 1.611 10.719 -12.741 1.00 0.00 C ATOM 276 O SER A 19 1.591 10.631 -13.952 1.00 0.00 O ATOM 277 CB SER A 19 -0.317 10.949 -11.169 1.00 0.00 C ATOM 278 OG SER A 19 -0.669 11.986 -12.075 1.00 0.00 O ATOM 0 H SER A 19 2.338 9.023 -11.043 1.00 0.00 H new ATOM 0 HA SER A 19 0.016 9.291 -12.501 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.213 10.440 -10.815 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.179 11.368 -10.293 1.00 0.00 H new ATOM 0 HG SER A 19 -1.264 12.623 -11.627 1.00 0.00 H new ATOM 284 N GLY A 20 2.489 11.466 -12.131 1.00 0.00 N ATOM 285 CA GLY A 20 3.495 12.233 -12.921 1.00 0.00 C ATOM 286 C GLY A 20 4.903 11.813 -12.500 1.00 0.00 C ATOM 287 O GLY A 20 5.847 12.573 -12.607 1.00 0.00 O ATOM 0 H GLY A 20 2.554 11.579 -11.119 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.353 12.050 -13.986 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.360 13.303 -12.761 1.00 0.00 H new ATOM 291 N ASP A 21 5.055 10.609 -12.022 1.00 0.00 N ATOM 292 CA ASP A 21 6.403 10.140 -11.594 1.00 0.00 C ATOM 293 C ASP A 21 7.075 9.398 -12.750 1.00 0.00 C ATOM 294 O ASP A 21 7.511 8.272 -12.609 1.00 0.00 O ATOM 295 CB ASP A 21 6.258 9.198 -10.396 1.00 0.00 C ATOM 296 CG ASP A 21 7.623 8.605 -10.044 1.00 0.00 C ATOM 297 OD1 ASP A 21 8.619 9.179 -10.452 1.00 0.00 O ATOM 298 OD2 ASP A 21 7.648 7.587 -9.372 1.00 0.00 O ATOM 0 H ASP A 21 4.303 9.929 -11.909 1.00 0.00 H new ATOM 0 HA ASP A 21 7.014 10.997 -11.310 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.854 9.740 -9.541 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.553 8.401 -10.630 1.00 0.00 H new ATOM 303 N MET A 22 7.161 10.018 -13.895 1.00 0.00 N ATOM 304 CA MET A 22 7.804 9.347 -15.061 1.00 0.00 C ATOM 305 C MET A 22 9.186 9.957 -15.301 1.00 0.00 C ATOM 306 O MET A 22 9.579 10.208 -16.424 1.00 0.00 O ATOM 307 CB MET A 22 6.935 9.546 -16.305 1.00 0.00 C ATOM 308 CG MET A 22 7.396 8.593 -17.409 1.00 0.00 C ATOM 309 SD MET A 22 7.290 9.428 -19.012 1.00 0.00 S ATOM 310 CE MET A 22 5.659 8.803 -19.486 1.00 0.00 C ATOM 0 H MET A 22 6.814 10.960 -14.074 1.00 0.00 H new ATOM 0 HA MET A 22 7.908 8.281 -14.857 1.00 0.00 H new ATOM 0 HB2 MET A 22 5.888 9.360 -16.064 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.005 10.578 -16.649 1.00 0.00 H new ATOM 0 HG2 MET A 22 8.420 8.271 -17.222 1.00 0.00 H new ATOM 0 HG3 MET A 22 6.776 7.697 -17.412 1.00 0.00 H new ATOM 0 HE1 MET A 22 5.387 9.200 -20.464 1.00 0.00 H new ATOM 0 HE2 MET A 22 5.685 7.714 -19.531 1.00 0.00 H new ATOM 0 HE3 MET A 22 4.920 9.118 -18.749 1.00 0.00 H new ATOM 320 N ALA A 23 9.929 10.195 -14.256 1.00 0.00 N ATOM 321 CA ALA A 23 11.287 10.787 -14.422 1.00 0.00 C ATOM 322 C ALA A 23 12.209 10.250 -13.326 1.00 0.00 C ATOM 323 O ALA A 23 13.214 9.623 -13.598 1.00 0.00 O ATOM 324 CB ALA A 23 11.197 12.310 -14.316 1.00 0.00 C ATOM 0 H ALA A 23 9.654 10.005 -13.292 1.00 0.00 H new ATOM 0 HA ALA A 23 11.687 10.517 -15.399 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.190 12.742 -14.437 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.538 12.691 -15.096 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.799 12.584 -13.339 1.00 0.00 H new ATOM 330 N ALA A 24 11.875 10.492 -12.088 1.00 0.00 N ATOM 331 CA ALA A 24 12.732 9.994 -10.975 1.00 0.00 C ATOM 332 C ALA A 24 12.873 8.475 -11.083 1.00 0.00 C ATOM 333 O ALA A 24 13.920 7.918 -10.814 1.00 0.00 O ATOM 334 CB ALA A 24 12.085 10.352 -9.634 1.00 0.00 C ATOM 0 H ALA A 24 11.047 11.012 -11.799 1.00 0.00 H new ATOM 0 HA ALA A 24 13.717 10.457 -11.038 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.711 9.988 -8.819 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.982 11.434 -9.557 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.101 9.889 -9.570 1.00 0.00 H new ATOM 340 N LYS A 25 11.828 7.799 -11.476 1.00 0.00 N ATOM 341 CA LYS A 25 11.902 6.316 -11.603 1.00 0.00 C ATOM 342 C LYS A 25 12.734 5.950 -12.834 1.00 0.00 C ATOM 343 O LYS A 25 13.621 5.123 -12.772 1.00 0.00 O ATOM 344 CB LYS A 25 10.489 5.747 -11.753 1.00 0.00 C ATOM 345 CG LYS A 25 10.257 4.666 -10.697 1.00 0.00 C ATOM 346 CD LYS A 25 10.484 5.256 -9.304 1.00 0.00 C ATOM 347 CE LYS A 25 11.601 4.484 -8.599 1.00 0.00 C ATOM 348 NZ LYS A 25 11.738 4.979 -7.199 1.00 0.00 N ATOM 0 H LYS A 25 10.926 8.210 -11.715 1.00 0.00 H new ATOM 0 HA LYS A 25 12.370 5.897 -10.712 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.752 6.542 -11.642 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.358 5.329 -12.751 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.242 4.276 -10.777 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.935 3.829 -10.864 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.750 6.310 -9.383 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.565 5.202 -8.720 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.377 3.417 -8.599 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.541 4.612 -9.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.497 4.455 -6.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.970 5.993 -7.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.842 4.835 -6.691 1.00 0.00 H new ATOM 362 N MET A 26 12.452 6.557 -13.954 1.00 0.00 N ATOM 363 CA MET A 26 13.226 6.243 -15.188 1.00 0.00 C ATOM 364 C MET A 26 14.718 6.476 -14.930 1.00 0.00 C ATOM 365 O MET A 26 15.565 5.991 -15.653 1.00 0.00 O ATOM 366 CB MET A 26 12.756 7.147 -16.329 1.00 0.00 C ATOM 367 CG MET A 26 11.245 6.998 -16.512 1.00 0.00 C ATOM 368 SD MET A 26 10.904 5.603 -17.613 1.00 0.00 S ATOM 369 CE MET A 26 9.805 6.477 -18.756 1.00 0.00 C ATOM 0 H MET A 26 11.719 7.257 -14.068 1.00 0.00 H new ATOM 0 HA MET A 26 13.065 5.200 -15.462 1.00 0.00 H new ATOM 0 HB2 MET A 26 13.005 8.185 -16.110 1.00 0.00 H new ATOM 0 HB3 MET A 26 13.272 6.883 -17.252 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.765 6.838 -15.546 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.826 7.914 -16.928 1.00 0.00 H new ATOM 0 HE1 MET A 26 9.940 6.083 -19.763 1.00 0.00 H new ATOM 0 HE2 MET A 26 8.770 6.334 -18.446 1.00 0.00 H new ATOM 0 HE3 MET A 26 10.043 7.541 -18.747 1.00 0.00 H new ATOM 379 N SER A 27 15.046 7.219 -13.907 1.00 0.00 N ATOM 380 CA SER A 27 16.482 7.486 -13.607 1.00 0.00 C ATOM 381 C SER A 27 17.021 6.410 -12.659 1.00 0.00 C ATOM 382 O SER A 27 18.166 6.012 -12.746 1.00 0.00 O ATOM 383 CB SER A 27 16.616 8.859 -12.948 1.00 0.00 C ATOM 384 OG SER A 27 16.613 9.864 -13.952 1.00 0.00 O ATOM 0 H SER A 27 14.381 7.653 -13.266 1.00 0.00 H new ATOM 0 HA SER A 27 17.054 7.468 -14.535 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.794 9.022 -12.251 1.00 0.00 H new ATOM 0 HB3 SER A 27 17.539 8.909 -12.370 1.00 0.00 H new ATOM 0 HG SER A 27 16.697 10.746 -13.533 1.00 0.00 H new ATOM 390 N LYS A 28 16.210 5.943 -11.749 1.00 0.00 N ATOM 391 CA LYS A 28 16.681 4.900 -10.792 1.00 0.00 C ATOM 392 C LYS A 28 16.997 3.605 -11.547 1.00 0.00 C ATOM 393 O LYS A 28 18.097 3.092 -11.483 1.00 0.00 O ATOM 394 CB LYS A 28 15.588 4.630 -9.756 1.00 0.00 C ATOM 395 CG LYS A 28 16.181 3.866 -8.571 1.00 0.00 C ATOM 396 CD LYS A 28 16.398 4.827 -7.400 1.00 0.00 C ATOM 397 CE LYS A 28 16.908 4.047 -6.186 1.00 0.00 C ATOM 398 NZ LYS A 28 16.987 4.958 -5.008 1.00 0.00 N ATOM 0 H LYS A 28 15.241 6.238 -11.626 1.00 0.00 H new ATOM 0 HA LYS A 28 17.583 5.253 -10.292 1.00 0.00 H new ATOM 0 HB2 LYS A 28 15.156 5.571 -9.415 1.00 0.00 H new ATOM 0 HB3 LYS A 28 14.781 4.053 -10.206 1.00 0.00 H new ATOM 0 HG2 LYS A 28 15.512 3.059 -8.273 1.00 0.00 H new ATOM 0 HG3 LYS A 28 17.127 3.406 -8.858 1.00 0.00 H new ATOM 0 HD2 LYS A 28 17.116 5.599 -7.677 1.00 0.00 H new ATOM 0 HD3 LYS A 28 15.465 5.334 -7.154 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.241 3.213 -5.970 1.00 0.00 H new ATOM 0 HE3 LYS A 28 17.890 3.624 -6.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.334 4.429 -4.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 17.640 5.740 -5.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.043 5.342 -4.802 1.00 0.00 H new ATOM 412 N LYS A 29 16.041 3.071 -12.256 1.00 0.00 N ATOM 413 CA LYS A 29 16.288 1.808 -13.009 1.00 0.00 C ATOM 414 C LYS A 29 17.311 2.061 -14.120 1.00 0.00 C ATOM 415 O LYS A 29 17.953 1.151 -14.604 1.00 0.00 O ATOM 416 CB LYS A 29 14.974 1.320 -13.627 1.00 0.00 C ATOM 417 CG LYS A 29 14.686 -0.108 -13.154 1.00 0.00 C ATOM 418 CD LYS A 29 13.886 -0.061 -11.850 1.00 0.00 C ATOM 419 CE LYS A 29 13.678 -1.485 -11.328 1.00 0.00 C ATOM 420 NZ LYS A 29 14.994 -2.071 -10.941 1.00 0.00 N ATOM 0 H LYS A 29 15.100 3.454 -12.347 1.00 0.00 H new ATOM 0 HA LYS A 29 16.676 1.051 -12.328 1.00 0.00 H new ATOM 0 HB2 LYS A 29 14.157 1.981 -13.339 1.00 0.00 H new ATOM 0 HB3 LYS A 29 15.039 1.348 -14.715 1.00 0.00 H new ATOM 0 HG2 LYS A 29 14.127 -0.650 -13.917 1.00 0.00 H new ATOM 0 HG3 LYS A 29 15.621 -0.647 -13.001 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.415 0.536 -11.108 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.923 0.420 -12.019 1.00 0.00 H new ATOM 0 HE2 LYS A 29 13.006 -1.474 -10.470 1.00 0.00 H new ATOM 0 HE3 LYS A 29 13.206 -2.099 -12.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 14.937 -2.444 -9.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.236 -2.843 -11.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.728 -1.336 -10.986 1.00 0.00 H new ATOM 434 N LYS A 30 17.468 3.292 -14.527 1.00 0.00 N ATOM 435 CA LYS A 30 18.449 3.599 -15.606 1.00 0.00 C ATOM 436 C LYS A 30 19.006 5.011 -15.403 1.00 0.00 C ATOM 437 O LYS A 30 18.524 5.967 -15.979 1.00 0.00 O ATOM 438 CB LYS A 30 17.751 3.517 -16.966 1.00 0.00 C ATOM 439 CG LYS A 30 18.394 2.412 -17.806 1.00 0.00 C ATOM 440 CD LYS A 30 18.076 2.647 -19.282 1.00 0.00 C ATOM 441 CE LYS A 30 18.189 1.328 -20.047 1.00 0.00 C ATOM 442 NZ LYS A 30 18.006 1.581 -21.505 1.00 0.00 N ATOM 0 H LYS A 30 16.960 4.097 -14.159 1.00 0.00 H new ATOM 0 HA LYS A 30 19.266 2.878 -15.571 1.00 0.00 H new ATOM 0 HB2 LYS A 30 16.689 3.313 -16.829 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.828 4.473 -17.484 1.00 0.00 H new ATOM 0 HG2 LYS A 30 19.473 2.404 -17.652 1.00 0.00 H new ATOM 0 HG3 LYS A 30 18.020 1.437 -17.493 1.00 0.00 H new ATOM 0 HD2 LYS A 30 17.071 3.055 -19.387 1.00 0.00 H new ATOM 0 HD3 LYS A 30 18.764 3.382 -19.700 1.00 0.00 H new ATOM 0 HE2 LYS A 30 19.162 0.872 -19.866 1.00 0.00 H new ATOM 0 HE3 LYS A 30 17.436 0.624 -19.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 18.083 0.684 -22.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 17.067 1.998 -21.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 18.740 2.238 -21.838 1.00 0.00 H new ATOM 456 N ALA A 31 20.016 5.150 -14.589 1.00 0.00 N ATOM 457 CA ALA A 31 20.600 6.500 -14.349 1.00 0.00 C ATOM 458 C ALA A 31 22.009 6.564 -14.943 1.00 0.00 C ATOM 459 O ALA A 31 22.268 7.297 -15.877 1.00 0.00 O ATOM 460 CB ALA A 31 20.669 6.766 -12.843 1.00 0.00 C ATOM 0 H ALA A 31 20.462 4.387 -14.080 1.00 0.00 H new ATOM 0 HA ALA A 31 19.973 7.254 -14.824 1.00 0.00 H new ATOM 0 HB1 ALA A 31 21.096 7.753 -12.667 1.00 0.00 H new ATOM 0 HB2 ALA A 31 19.665 6.724 -12.420 1.00 0.00 H new ATOM 0 HB3 ALA A 31 21.295 6.010 -12.368 1.00 0.00 H new ATOM 466 N GLY A 32 22.924 5.804 -14.406 1.00 0.00 N ATOM 467 CA GLY A 32 24.317 5.826 -14.939 1.00 0.00 C ATOM 468 C GLY A 32 24.625 4.498 -15.634 1.00 0.00 C ATOM 469 O GLY A 32 23.799 3.608 -15.690 1.00 0.00 O ATOM 0 H GLY A 32 22.768 5.170 -13.623 1.00 0.00 H new ATOM 0 HA2 GLY A 32 24.435 6.651 -15.642 1.00 0.00 H new ATOM 0 HA3 GLY A 32 25.025 5.995 -14.127 1.00 0.00 H new ATOM 473 N ARG A 33 25.808 4.359 -16.166 1.00 0.00 N ATOM 474 CA ARG A 33 26.171 3.089 -16.859 1.00 0.00 C ATOM 475 C ARG A 33 26.489 2.013 -15.819 1.00 0.00 C ATOM 476 O ARG A 33 25.705 1.115 -15.582 1.00 0.00 O ATOM 477 CB ARG A 33 27.400 3.324 -17.741 1.00 0.00 C ATOM 478 CG ARG A 33 27.159 2.721 -19.126 1.00 0.00 C ATOM 479 CD ARG A 33 27.696 3.670 -20.197 1.00 0.00 C ATOM 480 NE ARG A 33 26.558 4.329 -20.896 1.00 0.00 N ATOM 481 CZ ARG A 33 26.789 5.240 -21.802 1.00 0.00 C ATOM 482 NH1 ARG A 33 27.946 5.283 -22.403 1.00 0.00 N ATOM 483 NH2 ARG A 33 25.861 6.107 -22.107 1.00 0.00 N ATOM 0 H ARG A 33 26.540 5.070 -16.151 1.00 0.00 H new ATOM 0 HA ARG A 33 25.336 2.761 -17.478 1.00 0.00 H new ATOM 0 HB2 ARG A 33 27.599 4.392 -17.828 1.00 0.00 H new ATOM 0 HB3 ARG A 33 28.280 2.872 -17.284 1.00 0.00 H new ATOM 0 HG2 ARG A 33 27.653 1.752 -19.203 1.00 0.00 H new ATOM 0 HG3 ARG A 33 26.094 2.549 -19.279 1.00 0.00 H new ATOM 0 HD2 ARG A 33 28.340 4.422 -19.741 1.00 0.00 H new ATOM 0 HD3 ARG A 33 28.306 3.119 -20.913 1.00 0.00 H new ATOM 0 HE ARG A 33 25.599 4.069 -20.667 1.00 0.00 H new ATOM 0 HH11 ARG A 33 28.670 4.605 -22.165 1.00 0.00 H new ATOM 0 HH12 ARG A 33 28.127 5.995 -23.111 1.00 0.00 H new ATOM 0 HH21 ARG A 33 24.956 6.072 -21.637 1.00 0.00 H new ATOM 0 HH22 ARG A 33 26.041 6.819 -22.815 1.00 0.00 H new ATOM 497 N GLY A 34 27.634 2.094 -15.196 1.00 0.00 N ATOM 498 CA GLY A 34 27.999 1.075 -14.173 1.00 0.00 C ATOM 499 C GLY A 34 29.180 1.583 -13.344 1.00 0.00 C ATOM 500 O GLY A 34 28.944 2.330 -12.410 1.00 0.00 O ATOM 501 OXT GLY A 34 30.300 1.217 -13.658 1.00 0.00 O ATOM 0 H GLY A 34 28.331 2.822 -15.352 1.00 0.00 H new ATOM 0 HA2 GLY A 34 27.146 0.874 -13.525 1.00 0.00 H new ATOM 0 HA3 GLY A 34 28.260 0.134 -14.658 1.00 0.00 H new TER 505 GLY A 34