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 176:sc= 0 (180deg=-0.0175) USER MOD Single : A 1 MET N :NH3+ 130:sc= 0.0685 (180deg=-0.154) 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 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 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 4.740 -24.314 -14.789 1.00 0.00 N ATOM 2 CA MET A 1 4.159 -23.538 -15.921 1.00 0.00 C ATOM 3 C MET A 1 3.677 -22.179 -15.413 1.00 0.00 C ATOM 4 O MET A 1 3.383 -22.010 -14.246 1.00 0.00 O ATOM 5 CB MET A 1 2.978 -24.310 -16.514 1.00 0.00 C ATOM 6 CG MET A 1 1.867 -24.423 -15.469 1.00 0.00 C ATOM 7 SD MET A 1 0.341 -24.979 -16.267 1.00 0.00 S ATOM 8 CE MET A 1 0.738 -26.745 -16.307 1.00 0.00 C ATOM 0 H1 MET A 1 4.324 -25.267 -14.771 1.00 0.00 H new ATOM 0 H2 MET A 1 5.770 -24.389 -14.912 1.00 0.00 H new ATOM 0 H3 MET A 1 4.532 -23.829 -13.893 1.00 0.00 H new ATOM 0 HA MET A 1 4.919 -23.390 -16.689 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.606 -23.800 -17.403 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.299 -25.303 -16.828 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.158 -25.125 -14.688 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.707 -23.459 -14.987 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.112 -27.300 -16.703 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.607 -26.908 -16.944 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.958 -27.091 -15.297 1.00 0.00 H new ATOM 20 N GLY A 2 3.591 -21.208 -16.280 1.00 0.00 N ATOM 21 CA GLY A 2 3.126 -19.860 -15.845 1.00 0.00 C ATOM 22 C GLY A 2 1.683 -19.645 -16.301 1.00 0.00 C ATOM 23 O GLY A 2 1.247 -20.188 -17.298 1.00 0.00 O ATOM 0 H GLY A 2 3.822 -21.289 -17.270 1.00 0.00 H new ATOM 0 HA2 GLY A 2 3.192 -19.774 -14.760 1.00 0.00 H new ATOM 0 HA3 GLY A 2 3.770 -19.088 -16.266 1.00 0.00 H new ATOM 27 N LYS A 3 0.934 -18.854 -15.580 1.00 0.00 N ATOM 28 CA LYS A 3 -0.481 -18.604 -15.975 1.00 0.00 C ATOM 29 C LYS A 3 -0.589 -17.233 -16.644 1.00 0.00 C ATOM 30 O LYS A 3 -1.018 -17.116 -17.776 1.00 0.00 O ATOM 31 CB LYS A 3 -1.372 -18.636 -14.731 1.00 0.00 C ATOM 32 CG LYS A 3 -1.631 -20.087 -14.326 1.00 0.00 C ATOM 33 CD LYS A 3 -2.631 -20.720 -15.296 1.00 0.00 C ATOM 34 CE LYS A 3 -2.900 -22.168 -14.882 1.00 0.00 C ATOM 35 NZ LYS A 3 -4.300 -22.294 -14.389 1.00 0.00 N ATOM 0 H LYS A 3 1.241 -18.371 -14.736 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.805 -19.376 -16.673 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -0.892 -18.099 -13.913 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.316 -18.130 -14.934 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.697 -20.649 -14.332 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.020 -20.127 -13.309 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.562 -20.152 -15.297 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.237 -20.689 -16.312 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.741 -22.835 -15.729 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.201 -22.470 -14.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -4.482 -23.279 -14.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -4.437 -21.669 -13.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.960 -22.022 -15.145 1.00 0.00 H new ATOM 49 N ALA A 4 -0.205 -16.192 -15.956 1.00 0.00 N ATOM 50 CA ALA A 4 -0.288 -14.832 -16.555 1.00 0.00 C ATOM 51 C ALA A 4 0.723 -13.908 -15.874 1.00 0.00 C ATOM 52 O ALA A 4 0.430 -12.767 -15.572 1.00 0.00 O ATOM 53 CB ALA A 4 -1.700 -14.275 -16.361 1.00 0.00 C ATOM 0 H ALA A 4 0.162 -16.226 -15.005 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.063 -14.891 -17.620 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -1.762 -13.279 -16.799 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -2.420 -14.932 -16.849 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -1.925 -14.217 -15.296 1.00 0.00 H new ATOM 59 N GLU A 5 1.913 -14.386 -15.629 1.00 0.00 N ATOM 60 CA GLU A 5 2.936 -13.528 -14.970 1.00 0.00 C ATOM 61 C GLU A 5 3.238 -12.323 -15.862 1.00 0.00 C ATOM 62 O GLU A 5 3.241 -11.193 -15.415 1.00 0.00 O ATOM 63 CB GLU A 5 4.218 -14.337 -14.752 1.00 0.00 C ATOM 64 CG GLU A 5 4.294 -14.787 -13.291 1.00 0.00 C ATOM 65 CD GLU A 5 4.617 -16.282 -13.234 1.00 0.00 C ATOM 66 OE1 GLU A 5 4.138 -17.005 -14.091 1.00 0.00 O ATOM 67 OE2 GLU A 5 5.338 -16.677 -12.333 1.00 0.00 O ATOM 0 H GLU A 5 2.220 -15.332 -15.857 1.00 0.00 H new ATOM 0 HA GLU A 5 2.558 -13.183 -14.008 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.230 -15.204 -15.412 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.090 -13.733 -15.004 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.060 -14.218 -12.763 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.347 -14.589 -12.789 1.00 0.00 H new ATOM 74 N ASN A 6 3.483 -12.553 -17.124 1.00 0.00 N ATOM 75 CA ASN A 6 3.776 -11.418 -18.043 1.00 0.00 C ATOM 76 C ASN A 6 2.473 -10.693 -18.380 1.00 0.00 C ATOM 77 O ASN A 6 2.477 -9.596 -18.903 1.00 0.00 O ATOM 78 CB ASN A 6 4.408 -11.955 -19.330 1.00 0.00 C ATOM 79 CG ASN A 6 5.909 -11.658 -19.326 1.00 0.00 C ATOM 80 OD1 ASN A 6 6.425 -11.059 -20.249 1.00 0.00 O ATOM 81 ND2 ASN A 6 6.637 -12.053 -18.317 1.00 0.00 N ATOM 0 H ASN A 6 3.493 -13.477 -17.557 1.00 0.00 H new ATOM 0 HA ASN A 6 4.466 -10.725 -17.561 1.00 0.00 H new ATOM 0 HB2 ASN A 6 4.240 -13.029 -19.409 1.00 0.00 H new ATOM 0 HB3 ASN A 6 3.938 -11.493 -20.198 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.638 -11.859 -18.304 1.00 0.00 H new ATOM 0 HD22 ASN A 6 6.205 -12.556 -17.542 1.00 0.00 H new ATOM 88 N TYR A 7 1.355 -11.300 -18.083 1.00 0.00 N ATOM 89 CA TYR A 7 0.050 -10.650 -18.383 1.00 0.00 C ATOM 90 C TYR A 7 -0.185 -9.498 -17.405 1.00 0.00 C ATOM 91 O TYR A 7 -0.224 -8.345 -17.786 1.00 0.00 O ATOM 92 CB TYR A 7 -1.074 -11.679 -18.243 1.00 0.00 C ATOM 93 CG TYR A 7 -2.412 -10.977 -18.245 1.00 0.00 C ATOM 94 CD1 TYR A 7 -3.033 -10.660 -19.458 1.00 0.00 C ATOM 95 CD2 TYR A 7 -3.029 -10.645 -17.034 1.00 0.00 C ATOM 96 CE1 TYR A 7 -4.271 -10.008 -19.461 1.00 0.00 C ATOM 97 CE2 TYR A 7 -4.269 -9.993 -17.036 1.00 0.00 C ATOM 98 CZ TYR A 7 -4.890 -9.676 -18.249 1.00 0.00 C ATOM 99 OH TYR A 7 -6.112 -9.034 -18.253 1.00 0.00 O ATOM 0 H TYR A 7 1.291 -12.219 -17.645 1.00 0.00 H new ATOM 0 HA TYR A 7 0.062 -10.261 -19.401 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.028 -12.396 -19.063 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -0.950 -12.243 -17.319 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.557 -10.919 -20.392 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.550 -10.891 -16.098 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -4.749 -9.761 -20.397 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.745 -9.735 -16.102 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.402 -8.877 -17.330 1.00 0.00 H new ATOM 109 N GLU A 8 -0.345 -9.800 -16.145 1.00 0.00 N ATOM 110 CA GLU A 8 -0.579 -8.721 -15.145 1.00 0.00 C ATOM 111 C GLU A 8 0.618 -7.768 -15.127 1.00 0.00 C ATOM 112 O GLU A 8 0.464 -6.564 -15.124 1.00 0.00 O ATOM 113 CB GLU A 8 -0.761 -9.342 -13.757 1.00 0.00 C ATOM 114 CG GLU A 8 -2.237 -9.279 -13.359 1.00 0.00 C ATOM 115 CD GLU A 8 -2.356 -9.299 -11.834 1.00 0.00 C ATOM 116 OE1 GLU A 8 -2.158 -8.258 -11.231 1.00 0.00 O ATOM 117 OE2 GLU A 8 -2.644 -10.356 -11.297 1.00 0.00 O ATOM 0 H GLU A 8 -0.324 -10.747 -15.766 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.477 -8.166 -15.415 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.419 -10.377 -13.762 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.153 -8.809 -13.026 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.694 -8.373 -13.758 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.776 -10.124 -13.788 1.00 0.00 H new ATOM 124 N LEU A 9 1.811 -8.297 -15.113 1.00 0.00 N ATOM 125 CA LEU A 9 3.015 -7.418 -15.093 1.00 0.00 C ATOM 126 C LEU A 9 2.946 -6.431 -16.260 1.00 0.00 C ATOM 127 O LEU A 9 3.462 -5.332 -16.188 1.00 0.00 O ATOM 128 CB LEU A 9 4.275 -8.275 -15.226 1.00 0.00 C ATOM 129 CG LEU A 9 5.505 -7.366 -15.284 1.00 0.00 C ATOM 130 CD1 LEU A 9 6.248 -7.427 -13.948 1.00 0.00 C ATOM 131 CD2 LEU A 9 6.435 -7.838 -16.405 1.00 0.00 C ATOM 0 H LEU A 9 2.004 -9.299 -15.115 1.00 0.00 H new ATOM 0 HA LEU A 9 3.047 -6.868 -14.152 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.354 -8.959 -14.381 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.219 -8.887 -16.126 1.00 0.00 H new ATOM 0 HG LEU A 9 5.190 -6.341 -15.479 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.124 -6.780 -13.989 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.587 -7.093 -13.148 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.563 -8.452 -13.753 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.311 -7.191 -16.447 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.750 -8.863 -16.209 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.907 -7.796 -17.358 1.00 0.00 H new ATOM 143 N TYR A 10 2.317 -6.813 -17.338 1.00 0.00 N ATOM 144 CA TYR A 10 2.222 -5.896 -18.509 1.00 0.00 C ATOM 145 C TYR A 10 1.234 -4.769 -18.202 1.00 0.00 C ATOM 146 O TYR A 10 1.453 -3.627 -18.555 1.00 0.00 O ATOM 147 CB TYR A 10 1.736 -6.683 -19.729 1.00 0.00 C ATOM 148 CG TYR A 10 1.930 -5.851 -20.973 1.00 0.00 C ATOM 149 CD1 TYR A 10 3.153 -5.885 -21.654 1.00 0.00 C ATOM 150 CD2 TYR A 10 0.886 -5.046 -21.448 1.00 0.00 C ATOM 151 CE1 TYR A 10 3.332 -5.114 -22.808 1.00 0.00 C ATOM 152 CE2 TYR A 10 1.066 -4.276 -22.603 1.00 0.00 C ATOM 153 CZ TYR A 10 2.289 -4.309 -23.283 1.00 0.00 C ATOM 154 OH TYR A 10 2.466 -3.549 -24.422 1.00 0.00 O ATOM 0 H TYR A 10 1.865 -7.720 -17.458 1.00 0.00 H new ATOM 0 HA TYR A 10 3.203 -5.468 -18.716 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.288 -7.619 -19.815 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.684 -6.943 -19.612 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.958 -6.506 -21.289 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.057 -5.020 -20.923 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.275 -5.140 -23.333 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.261 -3.656 -22.970 1.00 0.00 H new ATOM 0 HH TYR A 10 1.644 -3.051 -24.614 1.00 0.00 H new ATOM 164 N GLN A 11 0.146 -5.080 -17.550 1.00 0.00 N ATOM 165 CA GLN A 11 -0.854 -4.025 -17.225 1.00 0.00 C ATOM 166 C GLN A 11 -0.244 -3.020 -16.245 1.00 0.00 C ATOM 167 O GLN A 11 -0.369 -1.823 -16.412 1.00 0.00 O ATOM 168 CB GLN A 11 -2.090 -4.670 -16.593 1.00 0.00 C ATOM 169 CG GLN A 11 -2.940 -5.323 -17.685 1.00 0.00 C ATOM 170 CD GLN A 11 -4.423 -5.134 -17.360 1.00 0.00 C ATOM 171 OE1 GLN A 11 -5.098 -6.072 -16.981 1.00 0.00 O ATOM 172 NE2 GLN A 11 -4.963 -3.954 -17.490 1.00 0.00 N ATOM 0 H GLN A 11 -0.093 -6.018 -17.229 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.142 -3.507 -18.140 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.788 -5.416 -15.858 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.675 -3.918 -16.063 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.710 -4.879 -18.654 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.705 -6.385 -17.757 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.398 -3.167 -17.808 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.951 -3.818 -17.274 1.00 0.00 H new ATOM 181 N VAL A 12 0.416 -3.496 -15.226 1.00 0.00 N ATOM 182 CA VAL A 12 1.034 -2.566 -14.237 1.00 0.00 C ATOM 183 C VAL A 12 2.095 -1.714 -14.935 1.00 0.00 C ATOM 184 O VAL A 12 2.417 -0.627 -14.499 1.00 0.00 O ATOM 185 CB VAL A 12 1.684 -3.375 -13.115 1.00 0.00 C ATOM 186 CG1 VAL A 12 2.778 -4.272 -13.697 1.00 0.00 C ATOM 187 CG2 VAL A 12 2.301 -2.420 -12.089 1.00 0.00 C ATOM 0 H VAL A 12 0.555 -4.488 -15.034 1.00 0.00 H new ATOM 0 HA VAL A 12 0.266 -1.917 -13.817 1.00 0.00 H new ATOM 0 HB VAL A 12 0.928 -3.993 -12.630 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.241 -4.848 -12.896 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.340 -4.953 -14.427 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.534 -3.655 -14.183 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.765 -2.996 -11.288 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.056 -1.802 -12.575 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.522 -1.781 -11.672 1.00 0.00 H new ATOM 197 N GLU A 13 2.643 -2.200 -16.015 1.00 0.00 N ATOM 198 CA GLU A 13 3.686 -1.421 -16.740 1.00 0.00 C ATOM 199 C GLU A 13 3.014 -0.364 -17.619 1.00 0.00 C ATOM 200 O GLU A 13 3.597 0.654 -17.938 1.00 0.00 O ATOM 201 CB GLU A 13 4.509 -2.365 -17.618 1.00 0.00 C ATOM 202 CG GLU A 13 5.974 -2.324 -17.179 1.00 0.00 C ATOM 203 CD GLU A 13 6.801 -3.251 -18.071 1.00 0.00 C ATOM 204 OE1 GLU A 13 6.237 -4.206 -18.583 1.00 0.00 O ATOM 205 OE2 GLU A 13 7.983 -2.993 -18.226 1.00 0.00 O ATOM 0 H GLU A 13 2.413 -3.104 -16.427 1.00 0.00 H new ATOM 0 HA GLU A 13 4.341 -0.932 -16.019 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.123 -3.381 -17.539 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.424 -2.072 -18.664 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.355 -1.305 -17.243 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.061 -2.632 -16.137 1.00 0.00 H new ATOM 212 N LEU A 14 1.794 -0.597 -18.020 1.00 0.00 N ATOM 213 CA LEU A 14 1.088 0.395 -18.880 1.00 0.00 C ATOM 214 C LEU A 14 0.519 1.519 -18.011 1.00 0.00 C ATOM 215 O LEU A 14 1.042 2.615 -17.978 1.00 0.00 O ATOM 216 CB LEU A 14 -0.053 -0.298 -19.628 1.00 0.00 C ATOM 217 CG LEU A 14 0.405 -0.655 -21.044 1.00 0.00 C ATOM 218 CD1 LEU A 14 0.898 0.607 -21.754 1.00 0.00 C ATOM 219 CD2 LEU A 14 1.544 -1.673 -20.967 1.00 0.00 C ATOM 0 H LEU A 14 1.255 -1.432 -17.789 1.00 0.00 H new ATOM 0 HA LEU A 14 1.793 0.815 -19.598 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.357 -1.199 -19.095 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.924 0.356 -19.670 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.430 -1.082 -21.600 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.224 0.353 -22.763 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.088 1.335 -21.807 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.733 1.034 -21.199 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.872 -1.929 -21.974 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.378 -1.244 -20.412 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.195 -2.572 -20.460 1.00 0.00 H new ATOM 231 N GLY A 15 -0.549 1.257 -17.308 1.00 0.00 N ATOM 232 CA GLY A 15 -1.149 2.313 -16.443 1.00 0.00 C ATOM 233 C GLY A 15 -0.516 2.260 -15.050 1.00 0.00 C ATOM 234 O GLY A 15 0.382 1.479 -14.808 1.00 0.00 O ATOM 0 H GLY A 15 -1.032 0.359 -17.295 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.990 3.295 -16.888 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.227 2.167 -16.369 1.00 0.00 H new ATOM 238 N PRO A 16 -1.009 3.098 -14.173 1.00 0.00 N ATOM 239 CA PRO A 16 -0.516 3.179 -12.787 1.00 0.00 C ATOM 240 C PRO A 16 -1.083 2.027 -11.950 1.00 0.00 C ATOM 241 O PRO A 16 -0.475 0.982 -11.825 1.00 0.00 O ATOM 242 CB PRO A 16 -1.052 4.527 -12.295 1.00 0.00 C ATOM 243 CG PRO A 16 -2.263 4.870 -13.194 1.00 0.00 C ATOM 244 CD PRO A 16 -2.103 4.041 -14.483 1.00 0.00 C ATOM 0 HA PRO A 16 0.569 3.103 -12.711 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.350 4.468 -11.248 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.285 5.299 -12.365 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.199 4.628 -12.691 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.288 5.936 -13.420 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.024 3.514 -14.735 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.854 4.673 -15.335 1.00 0.00 H new ATOM 252 N GLY A 17 -2.242 2.210 -11.379 1.00 0.00 N ATOM 253 CA GLY A 17 -2.843 1.126 -10.554 1.00 0.00 C ATOM 254 C GLY A 17 -3.337 0.001 -11.472 1.00 0.00 C ATOM 255 O GLY A 17 -3.820 0.259 -12.556 1.00 0.00 O ATOM 0 H GLY A 17 -2.798 3.063 -11.448 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.106 0.739 -9.850 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.671 1.519 -9.964 1.00 0.00 H new ATOM 259 N PRO A 18 -3.199 -1.214 -11.007 1.00 0.00 N ATOM 260 CA PRO A 18 -3.622 -2.406 -11.765 1.00 0.00 C ATOM 261 C PRO A 18 -5.140 -2.588 -11.671 1.00 0.00 C ATOM 262 O PRO A 18 -5.815 -2.759 -12.666 1.00 0.00 O ATOM 263 CB PRO A 18 -2.889 -3.554 -11.066 1.00 0.00 C ATOM 264 CG PRO A 18 -2.556 -3.056 -9.639 1.00 0.00 C ATOM 265 CD PRO A 18 -2.609 -1.517 -9.686 1.00 0.00 C ATOM 0 HA PRO A 18 -3.390 -2.344 -12.828 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -3.512 -4.448 -11.030 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -1.981 -3.821 -11.606 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -3.272 -3.446 -8.916 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -1.569 -3.400 -9.329 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.218 -1.115 -8.876 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.615 -1.081 -9.584 1.00 0.00 H new ATOM 273 N SER A 19 -5.679 -2.556 -10.484 1.00 0.00 N ATOM 274 CA SER A 19 -7.152 -2.727 -10.330 1.00 0.00 C ATOM 275 C SER A 19 -7.821 -1.353 -10.263 1.00 0.00 C ATOM 276 O SER A 19 -8.984 -1.232 -9.929 1.00 0.00 O ATOM 277 CB SER A 19 -7.445 -3.498 -9.044 1.00 0.00 C ATOM 278 OG SER A 19 -6.378 -4.402 -8.783 1.00 0.00 O ATOM 0 H SER A 19 -5.164 -2.419 -9.614 1.00 0.00 H new ATOM 0 HA SER A 19 -7.543 -3.281 -11.183 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.562 -2.806 -8.210 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.384 -4.044 -9.140 1.00 0.00 H new ATOM 0 HG SER A 19 -6.563 -4.897 -7.957 1.00 0.00 H new ATOM 284 N GLY A 20 -7.097 -0.315 -10.579 1.00 0.00 N ATOM 285 CA GLY A 20 -7.693 1.052 -10.533 1.00 0.00 C ATOM 286 C GLY A 20 -7.803 1.610 -11.953 1.00 0.00 C ATOM 287 O GLY A 20 -7.622 2.789 -12.183 1.00 0.00 O ATOM 0 H GLY A 20 -6.119 -0.353 -10.867 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.678 1.015 -10.068 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.076 1.709 -9.920 1.00 0.00 H new ATOM 291 N ASP A 21 -8.096 0.771 -12.909 1.00 0.00 N ATOM 292 CA ASP A 21 -8.216 1.255 -14.313 1.00 0.00 C ATOM 293 C ASP A 21 -9.182 0.353 -15.084 1.00 0.00 C ATOM 294 O ASP A 21 -8.797 -0.341 -16.004 1.00 0.00 O ATOM 295 CB ASP A 21 -6.840 1.218 -14.982 1.00 0.00 C ATOM 296 CG ASP A 21 -6.705 2.404 -15.939 1.00 0.00 C ATOM 297 OD1 ASP A 21 -6.719 3.527 -15.465 1.00 0.00 O ATOM 298 OD2 ASP A 21 -6.590 2.168 -17.132 1.00 0.00 O ATOM 0 H ASP A 21 -8.257 -0.228 -12.778 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.595 2.277 -14.314 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.055 1.256 -14.226 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.714 0.282 -15.526 1.00 0.00 H new ATOM 303 N MET A 22 -10.434 0.356 -14.718 1.00 0.00 N ATOM 304 CA MET A 22 -11.421 -0.501 -15.432 1.00 0.00 C ATOM 305 C MET A 22 -12.778 -0.420 -14.728 1.00 0.00 C ATOM 306 O MET A 22 -13.796 -0.191 -15.347 1.00 0.00 O ATOM 307 CB MET A 22 -10.931 -1.951 -15.429 1.00 0.00 C ATOM 308 CG MET A 22 -10.983 -2.512 -16.852 1.00 0.00 C ATOM 309 SD MET A 22 -9.855 -3.920 -16.988 1.00 0.00 S ATOM 310 CE MET A 22 -10.499 -4.577 -18.547 1.00 0.00 C ATOM 0 H MET A 22 -10.816 0.915 -13.955 1.00 0.00 H new ATOM 0 HA MET A 22 -11.526 -0.153 -16.459 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.912 -2.001 -15.044 1.00 0.00 H new ATOM 0 HB3 MET A 22 -11.552 -2.554 -14.766 1.00 0.00 H new ATOM 0 HG2 MET A 22 -11.999 -2.822 -17.095 1.00 0.00 H new ATOM 0 HG3 MET A 22 -10.705 -1.740 -17.569 1.00 0.00 H new ATOM 0 HE1 MET A 22 -9.937 -5.468 -18.826 1.00 0.00 H new ATOM 0 HE2 MET A 22 -11.551 -4.835 -18.426 1.00 0.00 H new ATOM 0 HE3 MET A 22 -10.398 -3.824 -19.329 1.00 0.00 H new ATOM 320 N ALA A 23 -12.798 -0.607 -13.436 1.00 0.00 N ATOM 321 CA ALA A 23 -14.089 -0.541 -12.695 1.00 0.00 C ATOM 322 C ALA A 23 -14.077 0.668 -11.757 1.00 0.00 C ATOM 323 O ALA A 23 -15.111 1.190 -11.390 1.00 0.00 O ATOM 324 CB ALA A 23 -14.273 -1.821 -11.877 1.00 0.00 C ATOM 0 H ALA A 23 -11.977 -0.802 -12.863 1.00 0.00 H new ATOM 0 HA ALA A 23 -14.911 -0.442 -13.404 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -15.217 -1.774 -11.335 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -14.281 -2.682 -12.545 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.452 -1.921 -11.167 1.00 0.00 H new ATOM 330 N ALA A 24 -12.915 1.114 -11.362 1.00 0.00 N ATOM 331 CA ALA A 24 -12.841 2.287 -10.446 1.00 0.00 C ATOM 332 C ALA A 24 -13.094 3.572 -11.237 1.00 0.00 C ATOM 333 O ALA A 24 -13.807 4.452 -10.797 1.00 0.00 O ATOM 334 CB ALA A 24 -11.452 2.346 -9.808 1.00 0.00 C ATOM 0 H ALA A 24 -12.016 0.717 -11.634 1.00 0.00 H new ATOM 0 HA ALA A 24 -13.597 2.187 -9.667 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -11.396 3.204 -9.137 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.272 1.431 -9.243 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.697 2.445 -10.588 1.00 0.00 H new ATOM 340 N LYS A 25 -12.515 3.688 -12.401 1.00 0.00 N ATOM 341 CA LYS A 25 -12.723 4.917 -13.218 1.00 0.00 C ATOM 342 C LYS A 25 -14.184 4.995 -13.663 1.00 0.00 C ATOM 343 O LYS A 25 -14.718 6.064 -13.888 1.00 0.00 O ATOM 344 CB LYS A 25 -11.816 4.870 -14.449 1.00 0.00 C ATOM 345 CG LYS A 25 -11.420 6.293 -14.849 1.00 0.00 C ATOM 346 CD LYS A 25 -10.666 6.956 -13.694 1.00 0.00 C ATOM 347 CE LYS A 25 -11.432 8.198 -13.233 1.00 0.00 C ATOM 348 NZ LYS A 25 -10.555 9.021 -12.352 1.00 0.00 N ATOM 0 H LYS A 25 -11.907 2.985 -12.821 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.480 5.795 -12.620 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.925 4.280 -14.234 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.332 4.379 -15.275 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.794 6.271 -15.741 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.309 6.873 -15.098 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.557 6.255 -12.867 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.661 7.233 -14.013 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.752 8.783 -14.096 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.334 7.904 -12.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.074 9.866 -12.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.271 8.460 -11.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.707 9.312 -12.880 1.00 0.00 H new ATOM 362 N MET A 26 -14.835 3.871 -13.794 1.00 0.00 N ATOM 363 CA MET A 26 -16.262 3.883 -14.227 1.00 0.00 C ATOM 364 C MET A 26 -17.167 4.008 -12.999 1.00 0.00 C ATOM 365 O MET A 26 -18.317 4.391 -13.100 1.00 0.00 O ATOM 366 CB MET A 26 -16.582 2.582 -14.964 1.00 0.00 C ATOM 367 CG MET A 26 -15.491 2.300 -16.000 1.00 0.00 C ATOM 368 SD MET A 26 -16.024 2.911 -17.618 1.00 0.00 S ATOM 369 CE MET A 26 -15.086 1.737 -18.624 1.00 0.00 C ATOM 0 H MET A 26 -14.441 2.946 -13.620 1.00 0.00 H new ATOM 0 HA MET A 26 -16.432 4.730 -14.892 1.00 0.00 H new ATOM 0 HB2 MET A 26 -16.647 1.757 -14.255 1.00 0.00 H new ATOM 0 HB3 MET A 26 -17.553 2.659 -15.454 1.00 0.00 H new ATOM 0 HG2 MET A 26 -14.560 2.784 -15.705 1.00 0.00 H new ATOM 0 HG3 MET A 26 -15.291 1.230 -16.051 1.00 0.00 H new ATOM 0 HE1 MET A 26 -15.270 1.935 -19.680 1.00 0.00 H new ATOM 0 HE2 MET A 26 -14.022 1.847 -18.414 1.00 0.00 H new ATOM 0 HE3 MET A 26 -15.400 0.721 -18.385 1.00 0.00 H new ATOM 379 N SER A 27 -16.661 3.688 -11.840 1.00 0.00 N ATOM 380 CA SER A 27 -17.494 3.786 -10.610 1.00 0.00 C ATOM 381 C SER A 27 -17.679 5.256 -10.230 1.00 0.00 C ATOM 382 O SER A 27 -18.740 5.668 -9.806 1.00 0.00 O ATOM 383 CB SER A 27 -16.800 3.049 -9.463 1.00 0.00 C ATOM 384 OG SER A 27 -17.768 2.320 -8.718 1.00 0.00 O ATOM 0 H SER A 27 -15.706 3.363 -11.692 1.00 0.00 H new ATOM 0 HA SER A 27 -18.468 3.335 -10.798 1.00 0.00 H new ATOM 0 HB2 SER A 27 -16.042 2.372 -9.857 1.00 0.00 H new ATOM 0 HB3 SER A 27 -16.287 3.761 -8.816 1.00 0.00 H new ATOM 0 HG SER A 27 -17.326 1.845 -7.983 1.00 0.00 H new ATOM 390 N LYS A 28 -16.655 6.053 -10.375 1.00 0.00 N ATOM 391 CA LYS A 28 -16.777 7.493 -10.020 1.00 0.00 C ATOM 392 C LYS A 28 -17.398 8.258 -11.191 1.00 0.00 C ATOM 393 O LYS A 28 -18.143 9.200 -11.003 1.00 0.00 O ATOM 394 CB LYS A 28 -15.390 8.063 -9.714 1.00 0.00 C ATOM 395 CG LYS A 28 -15.367 8.614 -8.287 1.00 0.00 C ATOM 396 CD LYS A 28 -13.995 9.226 -7.997 1.00 0.00 C ATOM 397 CE LYS A 28 -13.777 10.442 -8.898 1.00 0.00 C ATOM 398 NZ LYS A 28 -13.288 11.586 -8.078 1.00 0.00 N ATOM 0 H LYS A 28 -15.740 5.768 -10.724 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.414 7.597 -9.141 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.633 7.287 -9.827 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.145 8.853 -10.424 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.146 9.367 -8.164 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.579 7.817 -7.575 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.931 9.520 -6.949 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.212 8.488 -8.169 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.054 10.205 -9.679 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.708 10.710 -9.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.139 12.413 -8.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.993 11.817 -7.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.390 11.327 -7.622 1.00 0.00 H new ATOM 412 N LYS A 29 -17.099 7.859 -12.397 1.00 0.00 N ATOM 413 CA LYS A 29 -17.676 8.566 -13.576 1.00 0.00 C ATOM 414 C LYS A 29 -19.197 8.406 -13.570 1.00 0.00 C ATOM 415 O LYS A 29 -19.929 9.324 -13.883 1.00 0.00 O ATOM 416 CB LYS A 29 -17.106 7.962 -14.862 1.00 0.00 C ATOM 417 CG LYS A 29 -17.618 8.752 -16.068 1.00 0.00 C ATOM 418 CD LYS A 29 -17.740 7.819 -17.275 1.00 0.00 C ATOM 419 CE LYS A 29 -16.346 7.499 -17.816 1.00 0.00 C ATOM 420 NZ LYS A 29 -16.245 7.964 -19.229 1.00 0.00 N ATOM 0 H LYS A 29 -16.482 7.077 -12.617 1.00 0.00 H new ATOM 0 HA LYS A 29 -17.420 9.624 -13.527 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -16.017 7.985 -14.835 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -17.401 6.916 -14.947 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -18.586 9.197 -15.840 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -16.936 9.571 -16.296 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -18.250 6.900 -16.987 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -18.344 8.289 -18.051 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.586 7.987 -17.206 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -16.159 6.427 -17.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.297 7.747 -19.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.961 7.479 -19.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.406 8.991 -19.269 1.00 0.00 H new ATOM 434 N LYS A 30 -19.679 7.245 -13.216 1.00 0.00 N ATOM 435 CA LYS A 30 -21.152 7.026 -13.189 1.00 0.00 C ATOM 436 C LYS A 30 -21.555 6.453 -11.828 1.00 0.00 C ATOM 437 O LYS A 30 -22.014 5.332 -11.728 1.00 0.00 O ATOM 438 CB LYS A 30 -21.541 6.041 -14.293 1.00 0.00 C ATOM 439 CG LYS A 30 -20.501 4.922 -14.366 1.00 0.00 C ATOM 440 CD LYS A 30 -20.883 3.940 -15.475 1.00 0.00 C ATOM 441 CE LYS A 30 -20.279 4.406 -16.801 1.00 0.00 C ATOM 442 NZ LYS A 30 -21.223 4.094 -17.913 1.00 0.00 N ATOM 0 H LYS A 30 -19.115 6.439 -12.944 1.00 0.00 H new ATOM 0 HA LYS A 30 -21.665 7.974 -13.352 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -22.527 5.623 -14.091 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -21.603 6.557 -15.251 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -19.514 5.341 -14.561 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -20.443 4.402 -13.410 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -20.522 2.941 -15.230 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -21.968 3.875 -15.560 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -20.082 5.477 -16.767 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -19.323 3.911 -16.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -20.813 4.410 -18.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -21.390 3.068 -17.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -22.125 4.586 -17.751 1.00 0.00 H new ATOM 456 N ALA A 31 -21.386 7.211 -10.781 1.00 0.00 N ATOM 457 CA ALA A 31 -21.756 6.709 -9.428 1.00 0.00 C ATOM 458 C ALA A 31 -23.098 7.312 -9.006 1.00 0.00 C ATOM 459 O ALA A 31 -24.086 6.618 -8.874 1.00 0.00 O ATOM 460 CB ALA A 31 -20.677 7.111 -8.422 1.00 0.00 C ATOM 0 H ALA A 31 -21.007 8.158 -10.804 1.00 0.00 H new ATOM 0 HA ALA A 31 -21.840 5.623 -9.456 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -20.948 6.744 -7.432 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -19.722 6.679 -8.721 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -20.591 8.197 -8.395 1.00 0.00 H new ATOM 466 N GLY A 32 -23.141 8.598 -8.795 1.00 0.00 N ATOM 467 CA GLY A 32 -24.420 9.243 -8.382 1.00 0.00 C ATOM 468 C GLY A 32 -25.084 8.406 -7.287 1.00 0.00 C ATOM 469 O GLY A 32 -24.576 8.284 -6.191 1.00 0.00 O ATOM 0 H GLY A 32 -22.347 9.231 -8.890 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -24.229 10.252 -8.018 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -25.087 9.334 -9.239 1.00 0.00 H new ATOM 473 N ARG A 33 -26.219 7.830 -7.575 1.00 0.00 N ATOM 474 CA ARG A 33 -26.916 7.002 -6.551 1.00 0.00 C ATOM 475 C ARG A 33 -26.086 5.751 -6.256 1.00 0.00 C ATOM 476 O ARG A 33 -26.138 4.775 -6.979 1.00 0.00 O ATOM 477 CB ARG A 33 -28.291 6.589 -7.076 1.00 0.00 C ATOM 478 CG ARG A 33 -29.326 6.714 -5.955 1.00 0.00 C ATOM 479 CD ARG A 33 -29.331 5.434 -5.118 1.00 0.00 C ATOM 480 NE ARG A 33 -30.273 5.592 -3.975 1.00 0.00 N ATOM 481 CZ ARG A 33 -31.523 5.244 -4.107 1.00 0.00 C ATOM 482 NH1 ARG A 33 -31.832 4.140 -4.733 1.00 0.00 N ATOM 483 NH2 ARG A 33 -32.468 5.999 -3.615 1.00 0.00 N ATOM 0 H ARG A 33 -26.694 7.897 -8.475 1.00 0.00 H new ATOM 0 HA ARG A 33 -27.037 7.583 -5.637 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -28.574 7.220 -7.919 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -28.259 5.563 -7.442 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -29.093 7.572 -5.325 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -30.316 6.888 -6.377 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -29.629 4.585 -5.734 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -28.327 5.224 -4.749 1.00 0.00 H new ATOM 0 HE ARG A 33 -29.940 5.972 -3.089 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -31.095 3.549 -5.119 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -32.810 3.869 -4.836 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -32.229 6.862 -3.127 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -33.445 5.726 -3.719 1.00 0.00 H new ATOM 497 N GLY A 34 -25.319 5.771 -5.199 1.00 0.00 N ATOM 498 CA GLY A 34 -24.487 4.583 -4.859 1.00 0.00 C ATOM 499 C GLY A 34 -24.944 4.007 -3.517 1.00 0.00 C ATOM 500 O GLY A 34 -24.315 4.317 -2.518 1.00 0.00 O ATOM 501 OXT GLY A 34 -25.914 3.267 -3.511 1.00 0.00 O ATOM 0 H GLY A 34 -25.233 6.559 -4.557 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -24.576 3.828 -5.640 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -23.435 4.865 -4.807 1.00 0.00 H new TER 505 GLY A 34