USER MOD reduce.3.24.130724 H: found=0, std=0, add=254, rem=0, adj=8 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 59:sc= 1.01 USER MOD Set 1.2: A 11 GLN : amide:sc= 0.876 K(o=1.9,f=-0.87) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc= 0.00974 (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) USER MOD Single : A 10 TYR OH : rot 180:sc= 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 -130:sc= -0.0281 (180deg=-0.277) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -149:sc= -0.0589 (180deg=-0.75) USER MOD Single : A 29 LYS NZ :NH3+ -147:sc= -0.191 (180deg=-1.26!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.532 -23.622 -14.752 1.00 0.00 N ATOM 2 CA MET A 1 -5.462 -22.165 -15.060 1.00 0.00 C ATOM 3 C MET A 1 -4.009 -21.771 -15.329 1.00 0.00 C ATOM 4 O MET A 1 -3.115 -22.111 -14.580 1.00 0.00 O ATOM 5 CB MET A 1 -5.995 -21.366 -13.871 1.00 0.00 C ATOM 6 CG MET A 1 -7.483 -21.076 -14.075 1.00 0.00 C ATOM 7 SD MET A 1 -8.466 -22.316 -13.196 1.00 0.00 S ATOM 8 CE MET A 1 -9.359 -22.958 -14.633 1.00 0.00 C ATOM 0 H1 MET A 1 -6.394 -23.820 -14.205 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.552 -24.164 -15.639 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.698 -23.900 -14.196 1.00 0.00 H new ATOM 0 HA MET A 1 -6.066 -21.950 -15.941 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.846 -21.926 -12.948 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.442 -20.432 -13.770 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.724 -20.078 -13.707 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.725 -21.091 -15.138 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.037 -23.750 -14.316 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.932 -22.154 -15.095 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.647 -23.357 -15.355 1.00 0.00 H new ATOM 20 N GLY A 2 -3.767 -21.056 -16.393 1.00 0.00 N ATOM 21 CA GLY A 2 -2.371 -20.640 -16.709 1.00 0.00 C ATOM 22 C GLY A 2 -1.881 -19.649 -15.650 1.00 0.00 C ATOM 23 O GLY A 2 -2.627 -19.232 -14.785 1.00 0.00 O ATOM 0 H GLY A 2 -4.475 -20.742 -17.057 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -1.718 -21.512 -16.736 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -2.332 -20.182 -17.697 1.00 0.00 H new ATOM 27 N LYS A 3 -0.635 -19.267 -15.711 1.00 0.00 N ATOM 28 CA LYS A 3 -0.103 -18.302 -14.708 1.00 0.00 C ATOM 29 C LYS A 3 -0.363 -16.872 -15.186 1.00 0.00 C ATOM 30 O LYS A 3 -0.802 -16.026 -14.433 1.00 0.00 O ATOM 31 CB LYS A 3 1.403 -18.519 -14.539 1.00 0.00 C ATOM 32 CG LYS A 3 1.689 -19.052 -13.133 1.00 0.00 C ATOM 33 CD LYS A 3 2.022 -20.544 -13.209 1.00 0.00 C ATOM 34 CE LYS A 3 3.198 -20.760 -14.163 1.00 0.00 C ATOM 35 NZ LYS A 3 4.316 -21.420 -13.432 1.00 0.00 N ATOM 0 H LYS A 3 0.037 -19.581 -16.411 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.602 -18.461 -13.752 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.765 -19.224 -15.287 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.936 -17.582 -14.699 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.520 -18.505 -12.688 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.823 -18.894 -12.490 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.271 -20.922 -12.217 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.153 -21.104 -13.555 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.887 -21.376 -15.007 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.530 -19.805 -14.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.116 -21.567 -14.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.618 -20.816 -12.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.996 -22.338 -13.064 1.00 0.00 H new ATOM 49 N ALA A 4 -0.094 -16.595 -16.433 1.00 0.00 N ATOM 50 CA ALA A 4 -0.326 -15.220 -16.958 1.00 0.00 C ATOM 51 C ALA A 4 0.528 -14.225 -16.171 1.00 0.00 C ATOM 52 O ALA A 4 0.137 -13.096 -15.946 1.00 0.00 O ATOM 53 CB ALA A 4 -1.804 -14.857 -16.800 1.00 0.00 C ATOM 0 H ALA A 4 0.276 -17.262 -17.110 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.052 -15.182 -18.012 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -1.975 -13.851 -17.184 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -2.415 -15.567 -17.358 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -2.077 -14.894 -15.745 1.00 0.00 H new ATOM 59 N GLU A 5 1.693 -14.635 -15.750 1.00 0.00 N ATOM 60 CA GLU A 5 2.573 -13.715 -14.976 1.00 0.00 C ATOM 61 C GLU A 5 2.832 -12.443 -15.789 1.00 0.00 C ATOM 62 O GLU A 5 2.408 -11.364 -15.422 1.00 0.00 O ATOM 63 CB GLU A 5 3.904 -14.411 -14.683 1.00 0.00 C ATOM 64 CG GLU A 5 4.039 -14.642 -13.178 1.00 0.00 C ATOM 65 CD GLU A 5 4.397 -13.325 -12.488 1.00 0.00 C ATOM 66 OE1 GLU A 5 3.869 -12.303 -12.897 1.00 0.00 O ATOM 67 OE2 GLU A 5 5.193 -13.359 -11.564 1.00 0.00 O ATOM 0 H GLU A 5 2.074 -15.568 -15.909 1.00 0.00 H new ATOM 0 HA GLU A 5 2.084 -13.451 -14.038 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.954 -15.362 -15.213 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.732 -13.801 -15.044 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.105 -15.034 -12.775 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.809 -15.388 -12.982 1.00 0.00 H new ATOM 74 N ASN A 6 3.529 -12.560 -16.886 1.00 0.00 N ATOM 75 CA ASN A 6 3.818 -11.358 -17.719 1.00 0.00 C ATOM 76 C ASN A 6 2.520 -10.600 -18.004 1.00 0.00 C ATOM 77 O ASN A 6 2.488 -9.386 -18.003 1.00 0.00 O ATOM 78 CB ASN A 6 4.453 -11.795 -19.040 1.00 0.00 C ATOM 79 CG ASN A 6 5.975 -11.817 -18.895 1.00 0.00 C ATOM 80 OD1 ASN A 6 6.670 -11.052 -19.533 1.00 0.00 O ATOM 81 ND2 ASN A 6 6.529 -12.669 -18.075 1.00 0.00 N ATOM 0 H ASN A 6 3.911 -13.436 -17.242 1.00 0.00 H new ATOM 0 HA ASN A 6 4.505 -10.705 -17.181 1.00 0.00 H new ATOM 0 HB2 ASN A 6 4.090 -12.784 -19.320 1.00 0.00 H new ATOM 0 HB3 ASN A 6 4.163 -11.111 -19.838 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.543 -12.691 -17.971 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.947 -13.312 -17.538 1.00 0.00 H new ATOM 88 N TYR A 7 1.452 -11.306 -18.252 1.00 0.00 N ATOM 89 CA TYR A 7 0.157 -10.625 -18.541 1.00 0.00 C ATOM 90 C TYR A 7 -0.090 -9.524 -17.503 1.00 0.00 C ATOM 91 O TYR A 7 -0.306 -8.378 -17.841 1.00 0.00 O ATOM 92 CB TYR A 7 -0.977 -11.656 -18.490 1.00 0.00 C ATOM 93 CG TYR A 7 -2.309 -10.956 -18.340 1.00 0.00 C ATOM 94 CD1 TYR A 7 -2.741 -10.538 -17.075 1.00 0.00 C ATOM 95 CD2 TYR A 7 -3.112 -10.725 -19.465 1.00 0.00 C ATOM 96 CE1 TYR A 7 -3.974 -9.891 -16.935 1.00 0.00 C ATOM 97 CE2 TYR A 7 -4.345 -10.078 -19.323 1.00 0.00 C ATOM 98 CZ TYR A 7 -4.776 -9.661 -18.059 1.00 0.00 C ATOM 99 OH TYR A 7 -5.992 -9.023 -17.919 1.00 0.00 O ATOM 0 H TYR A 7 1.419 -12.325 -18.267 1.00 0.00 H new ATOM 0 HA TYR A 7 0.192 -10.174 -19.533 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.974 -12.257 -19.399 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -0.820 -12.339 -17.655 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.123 -10.715 -16.207 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.780 -11.046 -20.441 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -4.307 -9.569 -15.959 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.964 -9.901 -20.190 1.00 0.00 H new ATOM 0 HH TYR A 7 -5.853 -8.136 -17.527 1.00 0.00 H new ATOM 109 N GLU A 8 -0.068 -9.866 -16.244 1.00 0.00 N ATOM 110 CA GLU A 8 -0.311 -8.840 -15.189 1.00 0.00 C ATOM 111 C GLU A 8 0.835 -7.827 -15.171 1.00 0.00 C ATOM 112 O GLU A 8 0.620 -6.636 -15.065 1.00 0.00 O ATOM 113 CB GLU A 8 -0.408 -9.525 -13.824 1.00 0.00 C ATOM 114 CG GLU A 8 -1.806 -9.302 -13.244 1.00 0.00 C ATOM 115 CD GLU A 8 -1.743 -9.371 -11.717 1.00 0.00 C ATOM 116 OE1 GLU A 8 -0.921 -8.674 -11.145 1.00 0.00 O ATOM 117 OE2 GLU A 8 -2.518 -10.120 -11.145 1.00 0.00 O ATOM 0 H GLU A 8 0.107 -10.810 -15.900 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.244 -8.320 -15.405 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.210 -10.592 -13.925 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.347 -9.123 -13.148 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.191 -8.332 -13.559 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.494 -10.057 -13.625 1.00 0.00 H new ATOM 124 N LEU A 9 2.052 -8.288 -15.270 1.00 0.00 N ATOM 125 CA LEU A 9 3.206 -7.344 -15.250 1.00 0.00 C ATOM 126 C LEU A 9 3.068 -6.337 -16.395 1.00 0.00 C ATOM 127 O LEU A 9 3.667 -5.280 -16.378 1.00 0.00 O ATOM 128 CB LEU A 9 4.510 -8.130 -15.413 1.00 0.00 C ATOM 129 CG LEU A 9 5.110 -8.407 -14.032 1.00 0.00 C ATOM 130 CD1 LEU A 9 4.788 -9.842 -13.615 1.00 0.00 C ATOM 131 CD2 LEU A 9 6.627 -8.222 -14.090 1.00 0.00 C ATOM 0 H LEU A 9 2.297 -9.274 -15.364 1.00 0.00 H new ATOM 0 HA LEU A 9 3.220 -6.809 -14.300 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.320 -9.068 -15.934 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.215 -7.564 -16.022 1.00 0.00 H new ATOM 0 HG LEU A 9 4.686 -7.714 -13.306 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.215 -10.040 -12.632 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.707 -9.975 -13.575 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.212 -10.536 -14.341 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.055 -8.419 -13.107 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.051 -8.916 -14.816 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.858 -7.199 -14.388 1.00 0.00 H new ATOM 143 N TYR A 10 2.281 -6.651 -17.387 1.00 0.00 N ATOM 144 CA TYR A 10 2.106 -5.707 -18.525 1.00 0.00 C ATOM 145 C TYR A 10 1.031 -4.677 -18.169 1.00 0.00 C ATOM 146 O TYR A 10 1.104 -3.529 -18.559 1.00 0.00 O ATOM 147 CB TYR A 10 1.680 -6.478 -19.774 1.00 0.00 C ATOM 148 CG TYR A 10 1.702 -5.556 -20.968 1.00 0.00 C ATOM 149 CD1 TYR A 10 2.807 -4.725 -21.190 1.00 0.00 C ATOM 150 CD2 TYR A 10 0.618 -5.528 -21.853 1.00 0.00 C ATOM 151 CE1 TYR A 10 2.827 -3.867 -22.297 1.00 0.00 C ATOM 152 CE2 TYR A 10 0.638 -4.672 -22.960 1.00 0.00 C ATOM 153 CZ TYR A 10 1.743 -3.841 -23.181 1.00 0.00 C ATOM 154 OH TYR A 10 1.762 -2.995 -24.271 1.00 0.00 O ATOM 0 H TYR A 10 1.752 -7.520 -17.458 1.00 0.00 H new ATOM 0 HA TYR A 10 3.050 -5.198 -18.721 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.351 -7.321 -19.940 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.680 -6.889 -19.637 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.644 -4.746 -20.508 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.235 -6.168 -21.681 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.679 -3.226 -22.468 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.198 -4.652 -23.643 1.00 0.00 H new ATOM 0 HH TYR A 10 0.933 -3.102 -24.783 1.00 0.00 H new ATOM 164 N GLN A 11 0.036 -5.079 -17.425 1.00 0.00 N ATOM 165 CA GLN A 11 -1.038 -4.122 -17.040 1.00 0.00 C ATOM 166 C GLN A 11 -0.464 -3.080 -16.080 1.00 0.00 C ATOM 167 O GLN A 11 -0.842 -1.926 -16.097 1.00 0.00 O ATOM 168 CB GLN A 11 -2.176 -4.880 -16.353 1.00 0.00 C ATOM 169 CG GLN A 11 -2.630 -6.038 -17.245 1.00 0.00 C ATOM 170 CD GLN A 11 -4.152 -5.996 -17.405 1.00 0.00 C ATOM 171 OE1 GLN A 11 -4.861 -6.766 -16.789 1.00 0.00 O ATOM 172 NE2 GLN A 11 -4.687 -5.118 -18.210 1.00 0.00 N ATOM 0 H GLN A 11 -0.079 -6.028 -17.068 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.422 -3.625 -17.931 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.843 -5.260 -15.387 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.011 -4.207 -16.160 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.149 -5.969 -18.221 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.326 -6.989 -16.807 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.092 -4.471 -18.727 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.700 -5.079 -18.321 1.00 0.00 H new ATOM 181 N VAL A 12 0.455 -3.479 -15.240 1.00 0.00 N ATOM 182 CA VAL A 12 1.058 -2.514 -14.279 1.00 0.00 C ATOM 183 C VAL A 12 2.095 -1.656 -15.008 1.00 0.00 C ATOM 184 O VAL A 12 2.362 -0.532 -14.631 1.00 0.00 O ATOM 185 CB VAL A 12 1.732 -3.283 -13.139 1.00 0.00 C ATOM 186 CG1 VAL A 12 3.041 -3.900 -13.634 1.00 0.00 C ATOM 187 CG2 VAL A 12 2.028 -2.324 -11.984 1.00 0.00 C ATOM 0 H VAL A 12 0.813 -4.432 -15.179 1.00 0.00 H new ATOM 0 HA VAL A 12 0.280 -1.871 -13.868 1.00 0.00 H new ATOM 0 HB VAL A 12 1.066 -4.076 -12.797 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.517 -4.446 -12.819 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.833 -4.584 -14.456 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.708 -3.110 -13.979 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.508 -2.870 -11.172 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.691 -1.531 -12.330 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.096 -1.887 -11.626 1.00 0.00 H new ATOM 197 N GLU A 13 2.682 -2.179 -16.049 1.00 0.00 N ATOM 198 CA GLU A 13 3.702 -1.398 -16.803 1.00 0.00 C ATOM 199 C GLU A 13 3.004 -0.339 -17.660 1.00 0.00 C ATOM 200 O GLU A 13 3.598 0.646 -18.052 1.00 0.00 O ATOM 201 CB GLU A 13 4.499 -2.339 -17.708 1.00 0.00 C ATOM 202 CG GLU A 13 5.904 -1.774 -17.922 1.00 0.00 C ATOM 203 CD GLU A 13 6.129 -1.515 -19.413 1.00 0.00 C ATOM 204 OE1 GLU A 13 5.316 -0.825 -20.004 1.00 0.00 O ATOM 205 OE2 GLU A 13 7.111 -2.014 -19.939 1.00 0.00 O ATOM 0 H GLU A 13 2.499 -3.115 -16.410 1.00 0.00 H new ATOM 0 HA GLU A 13 4.377 -0.910 -16.100 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.559 -3.330 -17.257 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.992 -2.455 -18.666 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.025 -0.848 -17.359 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.650 -2.475 -17.547 1.00 0.00 H new ATOM 212 N LEU A 14 1.747 -0.533 -17.954 1.00 0.00 N ATOM 213 CA LEU A 14 1.015 0.463 -18.785 1.00 0.00 C ATOM 214 C LEU A 14 0.603 1.651 -17.914 1.00 0.00 C ATOM 215 O LEU A 14 1.199 2.709 -17.966 1.00 0.00 O ATOM 216 CB LEU A 14 -0.233 -0.189 -19.383 1.00 0.00 C ATOM 217 CG LEU A 14 -0.034 -0.388 -20.886 1.00 0.00 C ATOM 218 CD1 LEU A 14 0.131 0.973 -21.565 1.00 0.00 C ATOM 219 CD2 LEU A 14 1.220 -1.231 -21.124 1.00 0.00 C ATOM 0 H LEU A 14 1.196 -1.338 -17.655 1.00 0.00 H new ATOM 0 HA LEU A 14 1.663 0.811 -19.589 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.422 -1.148 -18.900 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.106 0.437 -19.201 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.902 -0.898 -21.303 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.273 0.830 -22.636 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.761 1.575 -21.394 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.999 1.484 -21.149 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.364 -1.374 -22.195 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.087 -0.719 -20.706 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.104 -2.201 -20.641 1.00 0.00 H new ATOM 231 N GLY A 15 -0.413 1.487 -17.113 1.00 0.00 N ATOM 232 CA GLY A 15 -0.862 2.609 -16.240 1.00 0.00 C ATOM 233 C GLY A 15 -2.179 3.179 -16.773 1.00 0.00 C ATOM 234 O GLY A 15 -2.182 4.143 -17.512 1.00 0.00 O ATOM 0 H GLY A 15 -0.952 0.625 -17.025 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.994 2.257 -15.217 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.101 3.389 -16.213 1.00 0.00 H new ATOM 238 N PRO A 16 -3.264 2.561 -16.378 1.00 0.00 N ATOM 239 CA PRO A 16 -4.613 2.979 -16.797 1.00 0.00 C ATOM 240 C PRO A 16 -5.063 4.207 -16.002 1.00 0.00 C ATOM 241 O PRO A 16 -6.178 4.670 -16.135 1.00 0.00 O ATOM 242 CB PRO A 16 -5.485 1.765 -16.466 1.00 0.00 C ATOM 243 CG PRO A 16 -4.724 0.966 -15.380 1.00 0.00 C ATOM 244 CD PRO A 16 -3.246 1.388 -15.479 1.00 0.00 C ATOM 0 HA PRO A 16 -4.667 3.262 -17.848 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.465 2.077 -16.104 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.653 1.153 -17.353 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.123 1.182 -14.389 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.832 -0.107 -15.541 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.838 1.642 -14.501 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.629 0.586 -15.883 1.00 0.00 H new ATOM 252 N GLY A 17 -4.205 4.738 -15.174 1.00 0.00 N ATOM 253 CA GLY A 17 -4.587 5.934 -14.371 1.00 0.00 C ATOM 254 C GLY A 17 -5.958 5.700 -13.729 1.00 0.00 C ATOM 255 O GLY A 17 -6.976 5.987 -14.325 1.00 0.00 O ATOM 0 H GLY A 17 -3.257 4.396 -15.019 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.840 6.122 -13.600 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.618 6.818 -15.008 1.00 0.00 H new ATOM 259 N PRO A 18 -5.938 5.180 -12.528 1.00 0.00 N ATOM 260 CA PRO A 18 -7.167 4.888 -11.767 1.00 0.00 C ATOM 261 C PRO A 18 -7.735 6.172 -11.156 1.00 0.00 C ATOM 262 O PRO A 18 -8.649 6.773 -11.687 1.00 0.00 O ATOM 263 CB PRO A 18 -6.690 3.926 -10.675 1.00 0.00 C ATOM 264 CG PRO A 18 -5.170 4.166 -10.514 1.00 0.00 C ATOM 265 CD PRO A 18 -4.691 4.834 -11.816 1.00 0.00 C ATOM 0 HA PRO A 18 -7.964 4.468 -12.381 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.214 4.112 -9.738 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.892 2.892 -10.953 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.967 4.804 -9.654 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.645 3.226 -10.345 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.091 5.720 -11.611 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.071 4.158 -12.405 1.00 0.00 H new ATOM 273 N SER A 19 -7.200 6.597 -10.045 1.00 0.00 N ATOM 274 CA SER A 19 -7.708 7.841 -9.401 1.00 0.00 C ATOM 275 C SER A 19 -9.185 7.664 -9.041 1.00 0.00 C ATOM 276 O SER A 19 -9.940 8.615 -8.991 1.00 0.00 O ATOM 277 CB SER A 19 -7.556 9.015 -10.370 1.00 0.00 C ATOM 278 OG SER A 19 -6.240 9.012 -10.907 1.00 0.00 O ATOM 0 H SER A 19 -6.433 6.137 -9.555 1.00 0.00 H new ATOM 0 HA SER A 19 -7.136 8.041 -8.495 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.289 8.936 -11.173 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.748 9.955 -9.853 1.00 0.00 H new ATOM 0 HG SER A 19 -6.139 9.762 -11.530 1.00 0.00 H new ATOM 284 N GLY A 20 -9.605 6.455 -8.785 1.00 0.00 N ATOM 285 CA GLY A 20 -11.033 6.223 -8.423 1.00 0.00 C ATOM 286 C GLY A 20 -11.683 5.304 -9.459 1.00 0.00 C ATOM 287 O GLY A 20 -12.822 5.491 -9.841 1.00 0.00 O ATOM 0 H GLY A 20 -9.022 5.618 -8.811 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -11.099 5.774 -7.432 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.566 7.173 -8.379 1.00 0.00 H new ATOM 291 N ASP A 21 -10.972 4.311 -9.916 1.00 0.00 N ATOM 292 CA ASP A 21 -11.554 3.381 -10.924 1.00 0.00 C ATOM 293 C ASP A 21 -12.250 2.223 -10.205 1.00 0.00 C ATOM 294 O ASP A 21 -12.231 1.097 -10.660 1.00 0.00 O ATOM 295 CB ASP A 21 -10.439 2.830 -11.815 1.00 0.00 C ATOM 296 CG ASP A 21 -10.929 2.767 -13.263 1.00 0.00 C ATOM 297 OD1 ASP A 21 -11.575 1.790 -13.605 1.00 0.00 O ATOM 298 OD2 ASP A 21 -10.648 3.694 -14.004 1.00 0.00 O ATOM 0 H ASP A 21 -10.014 4.103 -9.635 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.278 3.917 -11.538 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.556 3.465 -11.746 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.145 1.837 -11.476 1.00 0.00 H new ATOM 303 N MET A 22 -12.861 2.491 -9.085 1.00 0.00 N ATOM 304 CA MET A 22 -13.557 1.406 -8.337 1.00 0.00 C ATOM 305 C MET A 22 -15.033 1.768 -8.163 1.00 0.00 C ATOM 306 O MET A 22 -15.671 1.371 -7.209 1.00 0.00 O ATOM 307 CB MET A 22 -12.908 1.238 -6.962 1.00 0.00 C ATOM 308 CG MET A 22 -11.474 0.733 -7.131 1.00 0.00 C ATOM 309 SD MET A 22 -10.396 2.117 -7.574 1.00 0.00 S ATOM 310 CE MET A 22 -9.398 2.121 -6.065 1.00 0.00 C ATOM 0 H MET A 22 -12.909 3.415 -8.655 1.00 0.00 H new ATOM 0 HA MET A 22 -13.477 0.473 -8.895 1.00 0.00 H new ATOM 0 HB2 MET A 22 -12.909 2.189 -6.429 1.00 0.00 H new ATOM 0 HB3 MET A 22 -13.484 0.535 -6.360 1.00 0.00 H new ATOM 0 HG2 MET A 22 -11.129 0.270 -6.206 1.00 0.00 H new ATOM 0 HG3 MET A 22 -11.436 -0.034 -7.905 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.652 2.914 -6.124 1.00 0.00 H new ATOM 0 HE2 MET A 22 -10.043 2.293 -5.203 1.00 0.00 H new ATOM 0 HE3 MET A 22 -8.897 1.159 -5.958 1.00 0.00 H new ATOM 320 N ALA A 23 -15.582 2.520 -9.079 1.00 0.00 N ATOM 321 CA ALA A 23 -17.016 2.905 -8.962 1.00 0.00 C ATOM 322 C ALA A 23 -17.380 3.878 -10.087 1.00 0.00 C ATOM 323 O ALA A 23 -18.504 3.916 -10.545 1.00 0.00 O ATOM 324 CB ALA A 23 -17.257 3.579 -7.610 1.00 0.00 C ATOM 0 H ALA A 23 -15.100 2.883 -9.901 1.00 0.00 H new ATOM 0 HA ALA A 23 -17.636 2.012 -9.039 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -18.307 3.860 -7.526 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -17.001 2.887 -6.808 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -16.635 4.471 -7.532 1.00 0.00 H new ATOM 330 N ALA A 24 -16.440 4.663 -10.535 1.00 0.00 N ATOM 331 CA ALA A 24 -16.737 5.630 -11.629 1.00 0.00 C ATOM 332 C ALA A 24 -17.044 4.865 -12.918 1.00 0.00 C ATOM 333 O ALA A 24 -18.019 5.133 -13.592 1.00 0.00 O ATOM 334 CB ALA A 24 -15.527 6.540 -11.850 1.00 0.00 C ATOM 0 H ALA A 24 -15.480 4.677 -10.191 1.00 0.00 H new ATOM 0 HA ALA A 24 -17.600 6.236 -11.353 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.745 7.247 -12.650 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.310 7.086 -10.932 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.663 5.936 -12.125 1.00 0.00 H new ATOM 340 N LYS A 25 -16.220 3.914 -13.268 1.00 0.00 N ATOM 341 CA LYS A 25 -16.469 3.136 -14.513 1.00 0.00 C ATOM 342 C LYS A 25 -17.554 2.089 -14.253 1.00 0.00 C ATOM 343 O LYS A 25 -18.441 1.886 -15.056 1.00 0.00 O ATOM 344 CB LYS A 25 -15.177 2.439 -14.948 1.00 0.00 C ATOM 345 CG LYS A 25 -15.166 2.287 -16.472 1.00 0.00 C ATOM 346 CD LYS A 25 -14.157 3.266 -17.078 1.00 0.00 C ATOM 347 CE LYS A 25 -13.811 2.827 -18.502 1.00 0.00 C ATOM 348 NZ LYS A 25 -13.142 3.950 -19.219 1.00 0.00 N ATOM 0 H LYS A 25 -15.387 3.643 -12.746 1.00 0.00 H new ATOM 0 HA LYS A 25 -16.799 3.811 -15.303 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -14.312 3.018 -14.623 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -15.102 1.460 -14.474 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.904 1.264 -16.744 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -16.161 2.479 -16.874 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.573 4.274 -17.088 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.255 3.299 -16.467 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.156 1.956 -18.477 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.716 2.530 -19.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.906 3.652 -20.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.782 4.769 -19.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.271 4.213 -18.716 1.00 0.00 H new ATOM 362 N MET A 26 -17.489 1.420 -13.132 1.00 0.00 N ATOM 363 CA MET A 26 -18.518 0.387 -12.822 1.00 0.00 C ATOM 364 C MET A 26 -19.914 0.996 -12.979 1.00 0.00 C ATOM 365 O MET A 26 -20.773 0.444 -13.637 1.00 0.00 O ATOM 366 CB MET A 26 -18.335 -0.099 -11.382 1.00 0.00 C ATOM 367 CG MET A 26 -17.002 -0.840 -11.257 1.00 0.00 C ATOM 368 SD MET A 26 -17.150 -2.137 -10.003 1.00 0.00 S ATOM 369 CE MET A 26 -18.048 -3.335 -11.018 1.00 0.00 C ATOM 0 H MET A 26 -16.769 1.544 -12.420 1.00 0.00 H new ATOM 0 HA MET A 26 -18.407 -0.454 -13.507 1.00 0.00 H new ATOM 0 HB2 MET A 26 -18.358 0.748 -10.696 1.00 0.00 H new ATOM 0 HB3 MET A 26 -19.157 -0.758 -11.103 1.00 0.00 H new ATOM 0 HG2 MET A 26 -16.725 -1.277 -12.216 1.00 0.00 H new ATOM 0 HG3 MET A 26 -16.210 -0.143 -10.983 1.00 0.00 H new ATOM 0 HE1 MET A 26 -18.924 -3.688 -10.474 1.00 0.00 H new ATOM 0 HE2 MET A 26 -18.364 -2.860 -11.947 1.00 0.00 H new ATOM 0 HE3 MET A 26 -17.397 -4.180 -11.245 1.00 0.00 H new ATOM 379 N SER A 27 -20.144 2.131 -12.379 1.00 0.00 N ATOM 380 CA SER A 27 -21.483 2.775 -12.495 1.00 0.00 C ATOM 381 C SER A 27 -21.720 3.199 -13.945 1.00 0.00 C ATOM 382 O SER A 27 -22.837 3.207 -14.424 1.00 0.00 O ATOM 383 CB SER A 27 -21.535 4.006 -11.589 1.00 0.00 C ATOM 384 OG SER A 27 -22.873 4.477 -11.512 1.00 0.00 O ATOM 0 H SER A 27 -19.464 2.640 -11.814 1.00 0.00 H new ATOM 0 HA SER A 27 -22.255 2.068 -12.193 1.00 0.00 H new ATOM 0 HB2 SER A 27 -21.168 3.755 -10.594 1.00 0.00 H new ATOM 0 HB3 SER A 27 -20.884 4.788 -11.981 1.00 0.00 H new ATOM 0 HG SER A 27 -22.909 5.265 -10.931 1.00 0.00 H new ATOM 390 N LYS A 28 -20.679 3.551 -14.648 1.00 0.00 N ATOM 391 CA LYS A 28 -20.847 3.973 -16.067 1.00 0.00 C ATOM 392 C LYS A 28 -21.341 2.786 -16.897 1.00 0.00 C ATOM 393 O LYS A 28 -21.806 2.942 -18.007 1.00 0.00 O ATOM 394 CB LYS A 28 -19.503 4.456 -16.617 1.00 0.00 C ATOM 395 CG LYS A 28 -19.195 5.848 -16.061 1.00 0.00 C ATOM 396 CD LYS A 28 -19.184 6.865 -17.203 1.00 0.00 C ATOM 397 CE LYS A 28 -18.706 8.219 -16.677 1.00 0.00 C ATOM 398 NZ LYS A 28 -19.497 8.588 -15.468 1.00 0.00 N ATOM 0 H LYS A 28 -19.720 3.565 -14.301 1.00 0.00 H new ATOM 0 HA LYS A 28 -21.575 4.783 -16.122 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -18.713 3.759 -16.339 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -19.533 4.486 -17.706 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -19.942 6.128 -15.319 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -18.229 5.843 -15.555 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.528 6.522 -18.003 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -20.183 6.960 -17.629 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.645 8.172 -16.431 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.821 8.982 -17.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -19.584 9.623 -15.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -20.444 8.163 -15.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -19.015 8.236 -14.617 1.00 0.00 H new ATOM 412 N LYS A 29 -21.244 1.598 -16.364 1.00 0.00 N ATOM 413 CA LYS A 29 -21.709 0.401 -17.120 1.00 0.00 C ATOM 414 C LYS A 29 -22.792 -0.321 -16.316 1.00 0.00 C ATOM 415 O LYS A 29 -22.759 -1.524 -16.152 1.00 0.00 O ATOM 416 CB LYS A 29 -20.531 -0.547 -17.351 1.00 0.00 C ATOM 417 CG LYS A 29 -20.353 -0.785 -18.853 1.00 0.00 C ATOM 418 CD LYS A 29 -19.112 -0.038 -19.345 1.00 0.00 C ATOM 419 CE LYS A 29 -19.514 1.359 -19.823 1.00 0.00 C ATOM 420 NZ LYS A 29 -20.446 1.238 -20.979 1.00 0.00 N ATOM 0 H LYS A 29 -20.863 1.405 -15.438 1.00 0.00 H new ATOM 0 HA LYS A 29 -22.117 0.715 -18.081 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -19.620 -0.122 -16.929 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -20.707 -1.494 -16.840 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -20.252 -1.852 -19.053 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -21.235 -0.442 -19.393 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -18.378 0.038 -18.543 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -18.640 -0.590 -20.158 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -19.992 1.909 -19.012 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -18.629 1.925 -20.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -20.295 2.034 -21.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -20.266 0.343 -21.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -21.428 1.252 -20.636 1.00 0.00 H new ATOM 434 N LYS A 30 -23.754 0.404 -15.814 1.00 0.00 N ATOM 435 CA LYS A 30 -24.837 -0.244 -15.022 1.00 0.00 C ATOM 436 C LYS A 30 -24.236 -0.905 -13.779 1.00 0.00 C ATOM 437 O LYS A 30 -23.904 -2.073 -13.785 1.00 0.00 O ATOM 438 CB LYS A 30 -25.530 -1.305 -15.881 1.00 0.00 C ATOM 439 CG LYS A 30 -26.813 -1.765 -15.188 1.00 0.00 C ATOM 440 CD LYS A 30 -27.985 -0.898 -15.653 1.00 0.00 C ATOM 441 CE LYS A 30 -28.737 -0.361 -14.434 1.00 0.00 C ATOM 442 NZ LYS A 30 -29.984 0.319 -14.880 1.00 0.00 N ATOM 0 H LYS A 30 -23.837 1.415 -15.918 1.00 0.00 H new ATOM 0 HA LYS A 30 -25.564 0.508 -14.716 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -25.762 -0.897 -16.865 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -24.864 -2.154 -16.037 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -27.008 -2.812 -15.419 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -26.700 -1.693 -14.106 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -27.620 -0.071 -16.262 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -28.658 -1.483 -16.280 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -28.979 -1.178 -13.754 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -28.107 0.337 -13.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -30.496 0.684 -14.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -29.742 1.108 -15.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -30.587 -0.360 -15.388 1.00 0.00 H new ATOM 456 N ALA A 31 -24.093 -0.165 -12.714 1.00 0.00 N ATOM 457 CA ALA A 31 -23.514 -0.753 -11.472 1.00 0.00 C ATOM 458 C ALA A 31 -24.644 -1.275 -10.583 1.00 0.00 C ATOM 459 O ALA A 31 -24.529 -2.313 -9.961 1.00 0.00 O ATOM 460 CB ALA A 31 -22.729 0.322 -10.718 1.00 0.00 C ATOM 0 H ALA A 31 -24.351 0.820 -12.650 1.00 0.00 H new ATOM 0 HA ALA A 31 -22.847 -1.574 -11.734 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -22.305 -0.107 -9.810 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -21.925 0.697 -11.351 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -23.396 1.143 -10.455 1.00 0.00 H new ATOM 466 N GLY A 32 -25.736 -0.563 -10.518 1.00 0.00 N ATOM 467 CA GLY A 32 -26.874 -1.017 -9.670 1.00 0.00 C ATOM 468 C GLY A 32 -27.855 0.138 -9.471 1.00 0.00 C ATOM 469 O GLY A 32 -27.547 1.282 -9.742 1.00 0.00 O ATOM 0 H GLY A 32 -25.889 0.314 -11.016 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -27.379 -1.860 -10.142 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -26.506 -1.366 -8.705 1.00 0.00 H new ATOM 473 N ARG A 33 -29.038 -0.151 -9.004 1.00 0.00 N ATOM 474 CA ARG A 33 -30.039 0.932 -8.790 1.00 0.00 C ATOM 475 C ARG A 33 -30.846 0.640 -7.522 1.00 0.00 C ATOM 476 O ARG A 33 -30.736 1.334 -6.532 1.00 0.00 O ATOM 477 CB ARG A 33 -30.984 0.993 -9.992 1.00 0.00 C ATOM 478 CG ARG A 33 -30.813 2.334 -10.710 1.00 0.00 C ATOM 479 CD ARG A 33 -30.929 3.475 -9.697 1.00 0.00 C ATOM 480 NE ARG A 33 -29.684 4.291 -9.723 1.00 0.00 N ATOM 481 CZ ARG A 33 -29.729 5.562 -9.425 1.00 0.00 C ATOM 482 NH1 ARG A 33 -30.358 6.392 -10.212 1.00 0.00 N ATOM 483 NH2 ARG A 33 -29.148 6.000 -8.344 1.00 0.00 N ATOM 0 H ARG A 33 -29.355 -1.090 -8.761 1.00 0.00 H new ATOM 0 HA ARG A 33 -29.525 1.887 -8.680 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -30.771 0.172 -10.677 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -32.016 0.874 -9.663 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -29.843 2.372 -11.206 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -31.572 2.443 -11.485 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -31.791 4.099 -9.934 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -31.092 3.073 -8.697 1.00 0.00 H new ATOM 0 HE ARG A 33 -28.795 3.857 -9.974 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -30.813 6.048 -11.057 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -30.395 7.385 -9.981 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -28.657 5.350 -7.730 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -29.184 6.993 -8.112 1.00 0.00 H new ATOM 497 N GLY A 34 -31.656 -0.384 -7.547 1.00 0.00 N ATOM 498 CA GLY A 34 -32.467 -0.720 -6.343 1.00 0.00 C ATOM 499 C GLY A 34 -31.673 -1.661 -5.437 1.00 0.00 C ATOM 500 O GLY A 34 -30.983 -1.168 -4.561 1.00 0.00 O ATOM 501 OXT GLY A 34 -31.767 -2.862 -5.635 1.00 0.00 O ATOM 0 H GLY A 34 -31.791 -1.001 -8.348 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -32.727 0.190 -5.801 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -33.403 -1.191 -6.642 1.00 0.00 H new TER 505 GLY A 34