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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= -0.0683 (180deg=-0.159) USER MOD Single : A 3 LYS NZ :NH3+ 160:sc= -0.0645 (180deg=-0.572) USER MOD Single : A 6 ASN : amide:sc= -0.188 X(o=-0.19,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=-0.032) 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+ -179:sc= 0 (180deg=-0.00725) 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 7.864 -17.248 -22.714 1.00 0.00 N ATOM 2 CA MET A 1 7.979 -18.517 -21.941 1.00 0.00 C ATOM 3 C MET A 1 6.824 -18.615 -20.943 1.00 0.00 C ATOM 4 O MET A 1 6.565 -19.659 -20.377 1.00 0.00 O ATOM 5 CB MET A 1 9.308 -18.534 -21.184 1.00 0.00 C ATOM 6 CG MET A 1 10.086 -19.801 -21.547 1.00 0.00 C ATOM 7 SD MET A 1 11.712 -19.756 -20.753 1.00 0.00 S ATOM 8 CE MET A 1 12.592 -18.906 -22.084 1.00 0.00 C ATOM 0 H1 MET A 1 8.610 -17.214 -23.438 1.00 0.00 H new ATOM 0 H2 MET A 1 6.932 -17.205 -23.174 1.00 0.00 H new ATOM 0 H3 MET A 1 7.970 -16.438 -22.070 1.00 0.00 H new ATOM 0 HA MET A 1 7.939 -19.363 -22.627 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.894 -17.650 -21.436 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.127 -18.501 -20.110 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.535 -20.684 -21.224 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.199 -19.874 -22.629 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.636 -18.771 -21.801 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.537 -19.502 -22.995 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.134 -17.932 -22.259 1.00 0.00 H new ATOM 20 N GLY A 2 6.124 -17.536 -20.722 1.00 0.00 N ATOM 21 CA GLY A 2 4.986 -17.570 -19.762 1.00 0.00 C ATOM 22 C GLY A 2 3.715 -17.079 -20.454 1.00 0.00 C ATOM 23 O GLY A 2 3.523 -17.281 -21.636 1.00 0.00 O ATOM 0 H GLY A 2 6.291 -16.633 -21.165 1.00 0.00 H new ATOM 0 HA2 GLY A 2 4.841 -18.584 -19.391 1.00 0.00 H new ATOM 0 HA3 GLY A 2 5.207 -16.943 -18.898 1.00 0.00 H new ATOM 27 N LYS A 3 2.844 -16.435 -19.726 1.00 0.00 N ATOM 28 CA LYS A 3 1.585 -15.931 -20.341 1.00 0.00 C ATOM 29 C LYS A 3 0.739 -15.240 -19.269 1.00 0.00 C ATOM 30 O LYS A 3 0.030 -14.291 -19.538 1.00 0.00 O ATOM 31 CB LYS A 3 0.799 -17.104 -20.930 1.00 0.00 C ATOM 32 CG LYS A 3 1.074 -17.201 -22.432 1.00 0.00 C ATOM 33 CD LYS A 3 -0.236 -17.035 -23.204 1.00 0.00 C ATOM 34 CE LYS A 3 0.036 -17.148 -24.705 1.00 0.00 C ATOM 35 NZ LYS A 3 0.547 -18.514 -25.016 1.00 0.00 N ATOM 0 H LYS A 3 2.951 -16.236 -18.731 1.00 0.00 H new ATOM 0 HA LYS A 3 1.825 -15.221 -21.132 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.086 -18.032 -20.436 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.268 -16.966 -20.753 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.785 -16.431 -22.732 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.528 -18.164 -22.668 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.951 -17.797 -22.895 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.684 -16.067 -22.977 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.878 -16.953 -25.267 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.764 -16.397 -25.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.414 -18.712 -26.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.559 -18.567 -24.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.025 -19.216 -24.454 1.00 0.00 H new ATOM 49 N ALA A 4 0.810 -15.710 -18.054 1.00 0.00 N ATOM 50 CA ALA A 4 0.011 -15.082 -16.964 1.00 0.00 C ATOM 51 C ALA A 4 0.913 -14.162 -16.139 1.00 0.00 C ATOM 52 O ALA A 4 0.512 -13.092 -15.723 1.00 0.00 O ATOM 53 CB ALA A 4 -0.566 -16.175 -16.061 1.00 0.00 C ATOM 0 H ALA A 4 1.387 -16.502 -17.769 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.803 -14.501 -17.397 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -1.151 -15.717 -15.263 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -1.207 -16.832 -16.649 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.248 -16.755 -15.627 1.00 0.00 H new ATOM 59 N GLU A 5 2.130 -14.569 -15.898 1.00 0.00 N ATOM 60 CA GLU A 5 3.057 -13.717 -15.100 1.00 0.00 C ATOM 61 C GLU A 5 3.280 -12.390 -15.828 1.00 0.00 C ATOM 62 O GLU A 5 3.173 -11.327 -15.247 1.00 0.00 O ATOM 63 CB GLU A 5 4.396 -14.439 -14.932 1.00 0.00 C ATOM 64 CG GLU A 5 4.636 -14.732 -13.451 1.00 0.00 C ATOM 65 CD GLU A 5 3.727 -15.877 -13.000 1.00 0.00 C ATOM 66 OE1 GLU A 5 2.523 -15.679 -12.980 1.00 0.00 O ATOM 67 OE2 GLU A 5 4.250 -16.934 -12.685 1.00 0.00 O ATOM 0 H GLU A 5 2.522 -15.454 -16.219 1.00 0.00 H new ATOM 0 HA GLU A 5 2.623 -13.525 -14.119 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.394 -15.368 -15.502 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.205 -13.824 -15.328 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.680 -14.997 -13.287 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.437 -13.840 -12.857 1.00 0.00 H new ATOM 74 N ASN A 6 3.586 -12.441 -17.096 1.00 0.00 N ATOM 75 CA ASN A 6 3.812 -11.181 -17.859 1.00 0.00 C ATOM 76 C ASN A 6 2.467 -10.512 -18.143 1.00 0.00 C ATOM 77 O ASN A 6 2.401 -9.344 -18.478 1.00 0.00 O ATOM 78 CB ASN A 6 4.510 -11.507 -19.182 1.00 0.00 C ATOM 79 CG ASN A 6 5.204 -10.252 -19.715 1.00 0.00 C ATOM 80 OD1 ASN A 6 6.400 -10.094 -19.564 1.00 0.00 O ATOM 81 ND2 ASN A 6 4.502 -9.347 -20.339 1.00 0.00 N ATOM 0 H ASN A 6 3.689 -13.300 -17.636 1.00 0.00 H new ATOM 0 HA ASN A 6 4.437 -10.506 -17.274 1.00 0.00 H new ATOM 0 HB2 ASN A 6 5.239 -12.304 -19.034 1.00 0.00 H new ATOM 0 HB3 ASN A 6 3.784 -11.870 -19.909 1.00 0.00 H new ATOM 0 HD21 ASN A 6 4.956 -8.508 -20.700 1.00 0.00 H new ATOM 0 HD22 ASN A 6 3.499 -9.478 -20.466 1.00 0.00 H new ATOM 88 N TYR A 7 1.393 -11.241 -18.010 1.00 0.00 N ATOM 89 CA TYR A 7 0.050 -10.651 -18.270 1.00 0.00 C ATOM 90 C TYR A 7 -0.197 -9.491 -17.300 1.00 0.00 C ATOM 91 O TYR A 7 -0.273 -8.345 -17.696 1.00 0.00 O ATOM 92 CB TYR A 7 -1.021 -11.729 -18.070 1.00 0.00 C ATOM 93 CG TYR A 7 -2.384 -11.087 -17.952 1.00 0.00 C ATOM 94 CD1 TYR A 7 -3.100 -10.745 -19.104 1.00 0.00 C ATOM 95 CD2 TYR A 7 -2.929 -10.833 -16.688 1.00 0.00 C ATOM 96 CE1 TYR A 7 -4.363 -10.151 -18.993 1.00 0.00 C ATOM 97 CE2 TYR A 7 -4.191 -10.238 -16.576 1.00 0.00 C ATOM 98 CZ TYR A 7 -4.908 -9.897 -17.729 1.00 0.00 C ATOM 99 OH TYR A 7 -6.152 -9.311 -17.617 1.00 0.00 O ATOM 0 H TYR A 7 1.388 -12.222 -17.732 1.00 0.00 H new ATOM 0 HA TYR A 7 0.005 -10.278 -19.293 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.009 -12.425 -18.909 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -0.803 -12.308 -17.172 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.679 -10.939 -20.079 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.376 -11.096 -15.799 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -4.917 -9.889 -19.882 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.611 -10.042 -15.601 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.380 -9.207 -16.670 1.00 0.00 H new ATOM 109 N GLU A 8 -0.326 -9.780 -16.036 1.00 0.00 N ATOM 110 CA GLU A 8 -0.575 -8.697 -15.043 1.00 0.00 C ATOM 111 C GLU A 8 0.608 -7.726 -15.029 1.00 0.00 C ATOM 112 O GLU A 8 0.442 -6.534 -14.863 1.00 0.00 O ATOM 113 CB GLU A 8 -0.744 -9.312 -13.653 1.00 0.00 C ATOM 114 CG GLU A 8 -2.158 -9.039 -13.140 1.00 0.00 C ATOM 115 CD GLU A 8 -2.851 -10.364 -12.815 1.00 0.00 C ATOM 116 OE1 GLU A 8 -2.499 -11.359 -13.427 1.00 0.00 O ATOM 117 OE2 GLU A 8 -3.720 -10.359 -11.960 1.00 0.00 O ATOM 0 H GLU A 8 -0.270 -10.721 -15.646 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.481 -8.157 -15.318 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.563 -10.386 -13.695 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.010 -8.891 -12.966 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.118 -8.410 -12.251 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.729 -8.493 -13.891 1.00 0.00 H new ATOM 124 N LEU A 9 1.802 -8.225 -15.194 1.00 0.00 N ATOM 125 CA LEU A 9 2.993 -7.328 -15.184 1.00 0.00 C ATOM 126 C LEU A 9 2.907 -6.341 -16.351 1.00 0.00 C ATOM 127 O LEU A 9 3.502 -5.283 -16.325 1.00 0.00 O ATOM 128 CB LEU A 9 4.266 -8.167 -15.315 1.00 0.00 C ATOM 129 CG LEU A 9 4.988 -8.210 -13.967 1.00 0.00 C ATOM 130 CD1 LEU A 9 4.208 -9.098 -12.997 1.00 0.00 C ATOM 131 CD2 LEU A 9 6.394 -8.781 -14.163 1.00 0.00 C ATOM 0 H LEU A 9 2.005 -9.215 -15.335 1.00 0.00 H new ATOM 0 HA LEU A 9 3.018 -6.774 -14.246 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.017 -9.178 -15.639 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.919 -7.740 -16.076 1.00 0.00 H new ATOM 0 HG LEU A 9 5.057 -7.202 -13.559 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.723 -9.128 -12.037 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.206 -8.693 -12.859 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.138 -10.107 -13.403 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.911 -8.813 -13.204 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.324 -9.789 -14.571 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.951 -8.148 -14.854 1.00 0.00 H new ATOM 143 N TYR A 10 2.173 -6.677 -17.377 1.00 0.00 N ATOM 144 CA TYR A 10 2.055 -5.752 -18.541 1.00 0.00 C ATOM 145 C TYR A 10 1.031 -4.660 -18.226 1.00 0.00 C ATOM 146 O TYR A 10 1.235 -3.500 -18.528 1.00 0.00 O ATOM 147 CB TYR A 10 1.601 -6.535 -19.774 1.00 0.00 C ATOM 148 CG TYR A 10 1.281 -5.572 -20.893 1.00 0.00 C ATOM 149 CD1 TYR A 10 2.282 -5.181 -21.790 1.00 0.00 C ATOM 150 CD2 TYR A 10 -0.018 -5.069 -21.031 1.00 0.00 C ATOM 151 CE1 TYR A 10 1.985 -4.287 -22.825 1.00 0.00 C ATOM 152 CE2 TYR A 10 -0.316 -4.175 -22.068 1.00 0.00 C ATOM 153 CZ TYR A 10 0.686 -3.783 -22.963 1.00 0.00 C ATOM 154 OH TYR A 10 0.393 -2.902 -23.984 1.00 0.00 O ATOM 0 H TYR A 10 1.651 -7.549 -17.460 1.00 0.00 H new ATOM 0 HA TYR A 10 3.025 -5.295 -18.738 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.383 -7.226 -20.087 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.723 -7.135 -19.534 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.284 -5.569 -21.683 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.790 -5.370 -20.338 1.00 0.00 H new ATOM 0 HE1 TYR A 10 2.758 -3.986 -23.517 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.319 -3.789 -22.177 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.553 -2.650 -23.938 1.00 0.00 H new ATOM 164 N GLN A 11 -0.068 -5.020 -17.623 1.00 0.00 N ATOM 165 CA GLN A 11 -1.104 -4.000 -17.291 1.00 0.00 C ATOM 166 C GLN A 11 -0.524 -2.988 -16.300 1.00 0.00 C ATOM 167 O GLN A 11 -0.833 -1.814 -16.347 1.00 0.00 O ATOM 168 CB GLN A 11 -2.317 -4.690 -16.665 1.00 0.00 C ATOM 169 CG GLN A 11 -3.201 -5.272 -17.770 1.00 0.00 C ATOM 170 CD GLN A 11 -4.385 -4.338 -18.021 1.00 0.00 C ATOM 171 OE1 GLN A 11 -5.245 -4.189 -17.175 1.00 0.00 O ATOM 172 NE2 GLN A 11 -4.468 -3.699 -19.155 1.00 0.00 N ATOM 0 H GLN A 11 -0.294 -5.975 -17.346 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.410 -3.483 -18.201 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.990 -5.482 -15.991 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.886 -3.977 -16.067 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.622 -5.397 -18.685 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.559 -6.260 -17.482 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.746 -3.824 -19.865 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.255 -3.074 -19.332 1.00 0.00 H new ATOM 181 N VAL A 12 0.314 -3.434 -15.405 1.00 0.00 N ATOM 182 CA VAL A 12 0.912 -2.496 -14.413 1.00 0.00 C ATOM 183 C VAL A 12 2.149 -1.833 -15.022 1.00 0.00 C ATOM 184 O VAL A 12 2.548 -0.756 -14.622 1.00 0.00 O ATOM 185 CB VAL A 12 1.313 -3.271 -13.158 1.00 0.00 C ATOM 186 CG1 VAL A 12 2.417 -4.273 -13.506 1.00 0.00 C ATOM 187 CG2 VAL A 12 1.829 -2.294 -12.099 1.00 0.00 C ATOM 0 H VAL A 12 0.610 -4.406 -15.318 1.00 0.00 H new ATOM 0 HA VAL A 12 0.183 -1.730 -14.149 1.00 0.00 H new ATOM 0 HB VAL A 12 0.446 -3.806 -12.770 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.703 -4.825 -12.611 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.052 -4.969 -14.261 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.284 -3.739 -13.895 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.115 -2.846 -11.204 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.696 -1.760 -12.488 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.044 -1.580 -11.850 1.00 0.00 H new ATOM 197 N GLU A 13 2.759 -2.466 -15.987 1.00 0.00 N ATOM 198 CA GLU A 13 3.969 -1.871 -16.620 1.00 0.00 C ATOM 199 C GLU A 13 3.560 -0.660 -17.460 1.00 0.00 C ATOM 200 O GLU A 13 4.338 0.247 -17.680 1.00 0.00 O ATOM 201 CB GLU A 13 4.635 -2.913 -17.522 1.00 0.00 C ATOM 202 CG GLU A 13 5.738 -2.243 -18.346 1.00 0.00 C ATOM 203 CD GLU A 13 7.035 -3.042 -18.208 1.00 0.00 C ATOM 204 OE1 GLU A 13 7.589 -3.050 -17.120 1.00 0.00 O ATOM 205 OE2 GLU A 13 7.453 -3.631 -19.191 1.00 0.00 O ATOM 0 H GLU A 13 2.471 -3.369 -16.364 1.00 0.00 H new ATOM 0 HA GLU A 13 4.669 -1.558 -15.845 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.055 -3.717 -16.918 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.895 -3.364 -18.183 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.442 -2.188 -19.394 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.891 -1.219 -18.004 1.00 0.00 H new ATOM 212 N LEU A 14 2.343 -0.638 -17.932 1.00 0.00 N ATOM 213 CA LEU A 14 1.885 0.514 -18.757 1.00 0.00 C ATOM 214 C LEU A 14 2.323 1.822 -18.096 1.00 0.00 C ATOM 215 O LEU A 14 2.892 2.689 -18.728 1.00 0.00 O ATOM 216 CB LEU A 14 0.360 0.485 -18.871 1.00 0.00 C ATOM 217 CG LEU A 14 -0.038 0.099 -20.295 1.00 0.00 C ATOM 218 CD1 LEU A 14 0.380 1.210 -21.260 1.00 0.00 C ATOM 219 CD2 LEU A 14 0.663 -1.203 -20.684 1.00 0.00 C ATOM 0 H LEU A 14 1.647 -1.368 -17.781 1.00 0.00 H new ATOM 0 HA LEU A 14 2.325 0.446 -19.752 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.055 -0.229 -18.160 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.053 1.462 -18.619 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.118 -0.040 -20.346 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.096 0.935 -22.276 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.118 2.139 -20.983 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.460 1.348 -21.210 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.380 -1.479 -21.700 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.743 -1.064 -20.634 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.367 -1.995 -19.996 1.00 0.00 H new ATOM 231 N GLY A 15 2.061 1.970 -16.826 1.00 0.00 N ATOM 232 CA GLY A 15 2.462 3.222 -16.124 1.00 0.00 C ATOM 233 C GLY A 15 1.209 4.004 -15.719 1.00 0.00 C ATOM 234 O GLY A 15 0.116 3.473 -15.741 1.00 0.00 O ATOM 0 H GLY A 15 1.587 1.279 -16.245 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.055 2.983 -15.242 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.090 3.831 -16.774 1.00 0.00 H new ATOM 238 N PRO A 16 1.409 5.248 -15.360 1.00 0.00 N ATOM 239 CA PRO A 16 0.314 6.141 -14.942 1.00 0.00 C ATOM 240 C PRO A 16 -0.446 6.659 -16.167 1.00 0.00 C ATOM 241 O PRO A 16 -0.365 7.820 -16.513 1.00 0.00 O ATOM 242 CB PRO A 16 1.038 7.284 -14.227 1.00 0.00 C ATOM 243 CG PRO A 16 2.490 7.281 -14.760 1.00 0.00 C ATOM 244 CD PRO A 16 2.746 5.876 -15.336 1.00 0.00 C ATOM 0 HA PRO A 16 -0.425 5.649 -14.310 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.552 8.238 -14.429 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.020 7.140 -13.147 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.622 8.044 -15.527 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.196 7.506 -13.961 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.180 5.927 -16.334 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.441 5.311 -14.715 1.00 0.00 H new ATOM 252 N GLY A 17 -1.182 5.806 -16.825 1.00 0.00 N ATOM 253 CA GLY A 17 -1.945 6.251 -18.026 1.00 0.00 C ATOM 254 C GLY A 17 -3.245 6.931 -17.588 1.00 0.00 C ATOM 255 O GLY A 17 -3.502 7.067 -16.408 1.00 0.00 O ATOM 0 H GLY A 17 -1.288 4.821 -16.583 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.343 6.942 -18.616 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.168 5.396 -18.665 1.00 0.00 H new ATOM 259 N PRO A 18 -4.022 7.341 -18.557 1.00 0.00 N ATOM 260 CA PRO A 18 -5.309 8.016 -18.317 1.00 0.00 C ATOM 261 C PRO A 18 -6.399 6.989 -17.987 1.00 0.00 C ATOM 262 O PRO A 18 -7.356 6.831 -18.720 1.00 0.00 O ATOM 263 CB PRO A 18 -5.604 8.706 -19.653 1.00 0.00 C ATOM 264 CG PRO A 18 -4.798 7.939 -20.728 1.00 0.00 C ATOM 265 CD PRO A 18 -3.685 7.174 -19.986 1.00 0.00 C ATOM 0 HA PRO A 18 -5.279 8.710 -17.477 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.671 8.681 -19.876 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.310 9.755 -19.622 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.441 7.251 -21.276 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.373 8.628 -21.458 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.667 6.122 -20.271 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -2.701 7.583 -20.214 1.00 0.00 H new ATOM 273 N SER A 19 -6.262 6.292 -16.893 1.00 0.00 N ATOM 274 CA SER A 19 -7.291 5.280 -16.524 1.00 0.00 C ATOM 275 C SER A 19 -8.310 5.914 -15.577 1.00 0.00 C ATOM 276 O SER A 19 -9.026 5.232 -14.871 1.00 0.00 O ATOM 277 CB SER A 19 -6.616 4.097 -15.831 1.00 0.00 C ATOM 278 OG SER A 19 -6.178 3.164 -16.810 1.00 0.00 O ATOM 0 H SER A 19 -5.484 6.379 -16.240 1.00 0.00 H new ATOM 0 HA SER A 19 -7.799 4.931 -17.423 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.769 4.443 -15.238 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.313 3.619 -15.143 1.00 0.00 H new ATOM 0 HG SER A 19 -5.743 2.405 -16.367 1.00 0.00 H new ATOM 284 N GLY A 20 -8.384 7.216 -15.560 1.00 0.00 N ATOM 285 CA GLY A 20 -9.357 7.897 -14.661 1.00 0.00 C ATOM 286 C GLY A 20 -10.026 9.048 -15.412 1.00 0.00 C ATOM 287 O GLY A 20 -10.281 10.099 -14.858 1.00 0.00 O ATOM 0 H GLY A 20 -7.812 7.838 -16.131 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.109 7.187 -14.317 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.847 8.275 -13.775 1.00 0.00 H new ATOM 291 N ASP A 21 -10.310 8.859 -16.672 1.00 0.00 N ATOM 292 CA ASP A 21 -10.961 9.943 -17.460 1.00 0.00 C ATOM 293 C ASP A 21 -12.426 9.582 -17.707 1.00 0.00 C ATOM 294 O ASP A 21 -12.812 9.223 -18.803 1.00 0.00 O ATOM 295 CB ASP A 21 -10.239 10.101 -18.800 1.00 0.00 C ATOM 296 CG ASP A 21 -9.229 11.246 -18.705 1.00 0.00 C ATOM 297 OD1 ASP A 21 -9.355 12.048 -17.795 1.00 0.00 O ATOM 298 OD2 ASP A 21 -8.344 11.300 -19.544 1.00 0.00 O ATOM 0 H ASP A 21 -10.119 8.001 -17.189 1.00 0.00 H new ATOM 0 HA ASP A 21 -10.907 10.880 -16.906 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.730 9.174 -19.062 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.960 10.303 -19.592 1.00 0.00 H new ATOM 303 N MET A 22 -13.249 9.673 -16.697 1.00 0.00 N ATOM 304 CA MET A 22 -14.690 9.334 -16.875 1.00 0.00 C ATOM 305 C MET A 22 -15.548 10.553 -16.529 1.00 0.00 C ATOM 306 O MET A 22 -16.111 11.192 -17.396 1.00 0.00 O ATOM 307 CB MET A 22 -15.056 8.171 -15.951 1.00 0.00 C ATOM 308 CG MET A 22 -16.059 7.256 -16.657 1.00 0.00 C ATOM 309 SD MET A 22 -15.210 6.308 -17.945 1.00 0.00 S ATOM 310 CE MET A 22 -16.407 4.957 -18.060 1.00 0.00 C ATOM 0 H MET A 22 -12.986 9.967 -15.757 1.00 0.00 H new ATOM 0 HA MET A 22 -14.872 9.046 -17.911 1.00 0.00 H new ATOM 0 HB2 MET A 22 -14.161 7.610 -15.683 1.00 0.00 H new ATOM 0 HB3 MET A 22 -15.484 8.550 -15.023 1.00 0.00 H new ATOM 0 HG2 MET A 22 -16.520 6.580 -15.937 1.00 0.00 H new ATOM 0 HG3 MET A 22 -16.861 7.849 -17.096 1.00 0.00 H new ATOM 0 HE1 MET A 22 -16.076 4.240 -18.812 1.00 0.00 H new ATOM 0 HE2 MET A 22 -16.487 4.459 -17.094 1.00 0.00 H new ATOM 0 HE3 MET A 22 -17.381 5.357 -18.344 1.00 0.00 H new ATOM 320 N ALA A 23 -15.652 10.880 -15.270 1.00 0.00 N ATOM 321 CA ALA A 23 -16.475 12.056 -14.872 1.00 0.00 C ATOM 322 C ALA A 23 -16.041 13.280 -15.681 1.00 0.00 C ATOM 323 O ALA A 23 -16.815 14.183 -15.921 1.00 0.00 O ATOM 324 CB ALA A 23 -16.279 12.333 -13.379 1.00 0.00 C ATOM 0 H ALA A 23 -15.203 10.384 -14.500 1.00 0.00 H new ATOM 0 HA ALA A 23 -17.527 11.847 -15.067 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -16.881 13.193 -13.087 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -16.589 11.461 -12.803 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -15.227 12.542 -13.183 1.00 0.00 H new ATOM 330 N ALA A 24 -14.807 13.317 -16.104 1.00 0.00 N ATOM 331 CA ALA A 24 -14.326 14.484 -16.898 1.00 0.00 C ATOM 332 C ALA A 24 -15.149 14.602 -18.182 1.00 0.00 C ATOM 333 O ALA A 24 -15.721 15.635 -18.470 1.00 0.00 O ATOM 334 CB ALA A 24 -12.852 14.282 -17.255 1.00 0.00 C ATOM 0 H ALA A 24 -14.111 12.591 -15.935 1.00 0.00 H new ATOM 0 HA ALA A 24 -14.438 15.395 -16.310 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.498 15.134 -17.836 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.265 14.197 -16.341 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.742 13.371 -17.843 1.00 0.00 H new ATOM 340 N LYS A 25 -15.215 13.553 -18.955 1.00 0.00 N ATOM 341 CA LYS A 25 -16.002 13.606 -20.220 1.00 0.00 C ATOM 342 C LYS A 25 -17.480 13.828 -19.893 1.00 0.00 C ATOM 343 O LYS A 25 -18.162 14.595 -20.545 1.00 0.00 O ATOM 344 CB LYS A 25 -15.841 12.287 -20.976 1.00 0.00 C ATOM 345 CG LYS A 25 -16.666 12.331 -22.264 1.00 0.00 C ATOM 346 CD LYS A 25 -18.123 11.989 -21.951 1.00 0.00 C ATOM 347 CE LYS A 25 -18.544 10.762 -22.762 1.00 0.00 C ATOM 348 NZ LYS A 25 -18.671 11.137 -24.199 1.00 0.00 N ATOM 0 H LYS A 25 -14.758 12.661 -18.765 1.00 0.00 H new ATOM 0 HA LYS A 25 -15.639 14.427 -20.839 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -14.790 12.116 -21.211 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -16.167 11.456 -20.351 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -16.603 13.321 -22.715 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -16.264 11.624 -22.990 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -18.241 11.792 -20.885 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -18.766 12.835 -22.192 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -17.808 9.966 -22.646 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -19.493 10.375 -22.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -18.974 10.308 -24.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -19.376 11.895 -24.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -17.752 11.470 -24.553 1.00 0.00 H new ATOM 362 N MET A 26 -17.983 13.161 -18.891 1.00 0.00 N ATOM 363 CA MET A 26 -19.418 13.332 -18.524 1.00 0.00 C ATOM 364 C MET A 26 -19.768 14.821 -18.493 1.00 0.00 C ATOM 365 O MET A 26 -20.540 15.303 -19.297 1.00 0.00 O ATOM 366 CB MET A 26 -19.665 12.723 -17.142 1.00 0.00 C ATOM 367 CG MET A 26 -19.374 11.222 -17.186 1.00 0.00 C ATOM 368 SD MET A 26 -20.129 10.419 -15.749 1.00 0.00 S ATOM 369 CE MET A 26 -20.338 8.781 -16.489 1.00 0.00 C ATOM 0 H MET A 26 -17.462 12.504 -18.310 1.00 0.00 H new ATOM 0 HA MET A 26 -20.042 12.829 -19.263 1.00 0.00 H new ATOM 0 HB2 MET A 26 -19.028 13.206 -16.401 1.00 0.00 H new ATOM 0 HB3 MET A 26 -20.697 12.895 -16.836 1.00 0.00 H new ATOM 0 HG2 MET A 26 -19.769 10.791 -18.106 1.00 0.00 H new ATOM 0 HG3 MET A 26 -18.298 11.049 -17.189 1.00 0.00 H new ATOM 0 HE1 MET A 26 -20.797 8.110 -15.763 1.00 0.00 H new ATOM 0 HE2 MET A 26 -20.978 8.858 -17.368 1.00 0.00 H new ATOM 0 HE3 MET A 26 -19.365 8.388 -16.783 1.00 0.00 H new ATOM 379 N SER A 27 -19.208 15.553 -17.570 1.00 0.00 N ATOM 380 CA SER A 27 -19.510 17.009 -17.485 1.00 0.00 C ATOM 381 C SER A 27 -19.160 17.687 -18.812 1.00 0.00 C ATOM 382 O SER A 27 -19.857 18.570 -19.272 1.00 0.00 O ATOM 383 CB SER A 27 -18.687 17.637 -16.361 1.00 0.00 C ATOM 384 OG SER A 27 -19.531 17.888 -15.244 1.00 0.00 O ATOM 0 H SER A 27 -18.553 15.205 -16.870 1.00 0.00 H new ATOM 0 HA SER A 27 -20.572 17.144 -17.279 1.00 0.00 H new ATOM 0 HB2 SER A 27 -17.874 16.970 -16.074 1.00 0.00 H new ATOM 0 HB3 SER A 27 -18.232 18.566 -16.704 1.00 0.00 H new ATOM 0 HG SER A 27 -19.006 18.289 -14.521 1.00 0.00 H new ATOM 390 N LYS A 28 -18.083 17.284 -19.429 1.00 0.00 N ATOM 391 CA LYS A 28 -17.688 17.910 -20.724 1.00 0.00 C ATOM 392 C LYS A 28 -18.904 17.988 -21.650 1.00 0.00 C ATOM 393 O LYS A 28 -19.062 18.929 -22.402 1.00 0.00 O ATOM 394 CB LYS A 28 -16.598 17.066 -21.387 1.00 0.00 C ATOM 395 CG LYS A 28 -16.149 17.742 -22.684 1.00 0.00 C ATOM 396 CD LYS A 28 -15.480 16.708 -23.594 1.00 0.00 C ATOM 397 CE LYS A 28 -14.147 17.261 -24.101 1.00 0.00 C ATOM 398 NZ LYS A 28 -13.507 16.263 -25.003 1.00 0.00 N ATOM 0 H LYS A 28 -17.460 16.549 -19.093 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.309 18.915 -20.538 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.750 16.951 -20.711 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.975 16.065 -21.597 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -17.006 18.187 -23.190 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.453 18.552 -22.463 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.316 15.779 -23.048 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.132 16.473 -24.435 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.309 18.198 -24.634 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.489 17.482 -23.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.601 16.638 -25.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.340 15.380 -24.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.134 16.073 -25.811 1.00 0.00 H new ATOM 412 N LYS A 29 -19.762 17.005 -21.607 1.00 0.00 N ATOM 413 CA LYS A 29 -20.961 17.025 -22.490 1.00 0.00 C ATOM 414 C LYS A 29 -21.960 18.064 -21.974 1.00 0.00 C ATOM 415 O LYS A 29 -22.310 19.001 -22.665 1.00 0.00 O ATOM 416 CB LYS A 29 -21.618 15.644 -22.492 1.00 0.00 C ATOM 417 CG LYS A 29 -22.431 15.466 -23.775 1.00 0.00 C ATOM 418 CD LYS A 29 -22.510 13.980 -24.131 1.00 0.00 C ATOM 419 CE LYS A 29 -23.323 13.804 -25.415 1.00 0.00 C ATOM 420 NZ LYS A 29 -24.359 12.753 -25.207 1.00 0.00 N ATOM 0 H LYS A 29 -19.684 16.190 -20.999 1.00 0.00 H new ATOM 0 HA LYS A 29 -20.658 17.285 -23.504 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -20.856 14.867 -22.421 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -22.265 15.536 -21.621 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -23.434 15.872 -23.641 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -21.968 16.022 -24.591 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -21.507 13.574 -24.264 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -22.973 13.424 -23.316 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -23.796 14.747 -25.691 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -22.666 13.524 -26.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -24.912 12.633 -26.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -23.897 11.854 -24.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -24.992 13.038 -24.433 1.00 0.00 H new ATOM 434 N LYS A 30 -22.423 17.906 -20.764 1.00 0.00 N ATOM 435 CA LYS A 30 -23.399 18.884 -20.208 1.00 0.00 C ATOM 436 C LYS A 30 -22.833 19.500 -18.927 1.00 0.00 C ATOM 437 O LYS A 30 -23.218 19.141 -17.831 1.00 0.00 O ATOM 438 CB LYS A 30 -24.715 18.166 -19.893 1.00 0.00 C ATOM 439 CG LYS A 30 -25.889 19.015 -20.384 1.00 0.00 C ATOM 440 CD LYS A 30 -26.047 18.844 -21.895 1.00 0.00 C ATOM 441 CE LYS A 30 -27.304 18.022 -22.189 1.00 0.00 C ATOM 442 NZ LYS A 30 -26.943 16.580 -22.293 1.00 0.00 N ATOM 0 H LYS A 30 -22.168 17.143 -20.138 1.00 0.00 H new ATOM 0 HA LYS A 30 -23.580 19.672 -20.938 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -24.733 17.188 -20.375 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -24.800 17.994 -18.820 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -26.806 18.715 -19.876 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -25.719 20.064 -20.142 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -26.117 19.819 -22.376 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -25.170 18.347 -22.309 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -28.040 18.167 -21.398 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -27.764 18.360 -23.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -27.797 16.022 -22.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -26.256 16.449 -23.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -26.523 16.262 -21.396 1.00 0.00 H new ATOM 456 N ALA A 31 -21.925 20.427 -19.054 1.00 0.00 N ATOM 457 CA ALA A 31 -21.336 21.065 -17.842 1.00 0.00 C ATOM 458 C ALA A 31 -22.125 22.330 -17.499 1.00 0.00 C ATOM 459 O ALA A 31 -22.265 22.695 -16.349 1.00 0.00 O ATOM 460 CB ALA A 31 -19.877 21.435 -18.116 1.00 0.00 C ATOM 0 H ALA A 31 -21.565 20.771 -19.944 1.00 0.00 H new ATOM 0 HA ALA A 31 -21.383 20.367 -17.006 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -19.447 21.901 -17.229 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -19.313 20.535 -18.362 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -19.829 22.133 -18.952 1.00 0.00 H new ATOM 466 N GLY A 32 -22.644 23.004 -18.490 1.00 0.00 N ATOM 467 CA GLY A 32 -23.423 24.244 -18.221 1.00 0.00 C ATOM 468 C GLY A 32 -23.165 25.265 -19.330 1.00 0.00 C ATOM 469 O GLY A 32 -24.034 25.567 -20.124 1.00 0.00 O ATOM 0 H GLY A 32 -22.561 22.748 -19.474 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -24.487 24.012 -18.167 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -23.138 24.662 -17.255 1.00 0.00 H new ATOM 473 N ARG A 33 -21.976 25.796 -19.394 1.00 0.00 N ATOM 474 CA ARG A 33 -21.663 26.797 -20.452 1.00 0.00 C ATOM 475 C ARG A 33 -21.692 26.117 -21.822 1.00 0.00 C ATOM 476 O ARG A 33 -21.901 26.753 -22.838 1.00 0.00 O ATOM 477 CB ARG A 33 -20.269 27.380 -20.203 1.00 0.00 C ATOM 478 CG ARG A 33 -20.308 28.285 -18.971 1.00 0.00 C ATOM 479 CD ARG A 33 -19.010 28.123 -18.177 1.00 0.00 C ATOM 480 NE ARG A 33 -19.218 27.128 -17.086 1.00 0.00 N ATOM 481 CZ ARG A 33 -18.239 26.841 -16.273 1.00 0.00 C ATOM 482 NH1 ARG A 33 -17.081 26.475 -16.749 1.00 0.00 N ATOM 483 NH2 ARG A 33 -18.418 26.920 -14.982 1.00 0.00 N ATOM 0 H ARG A 33 -21.207 25.580 -18.759 1.00 0.00 H new ATOM 0 HA ARG A 33 -22.403 27.597 -20.427 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -19.548 26.576 -20.054 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -19.939 27.947 -21.074 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -20.434 29.324 -19.274 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -21.163 28.029 -18.346 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -18.206 27.794 -18.836 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -18.706 29.082 -17.757 1.00 0.00 H new ATOM 0 HE ARG A 33 -20.124 26.673 -16.976 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -16.941 26.413 -17.757 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.316 26.251 -16.113 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -19.323 27.206 -14.609 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -17.653 26.696 -14.346 1.00 0.00 H new ATOM 497 N GLY A 34 -21.487 24.829 -21.861 1.00 0.00 N ATOM 498 CA GLY A 34 -21.506 24.110 -23.166 1.00 0.00 C ATOM 499 C GLY A 34 -22.584 23.026 -23.136 1.00 0.00 C ATOM 500 O GLY A 34 -22.241 21.882 -22.891 1.00 0.00 O ATOM 501 OXT GLY A 34 -23.737 23.359 -23.362 1.00 0.00 O ATOM 0 H GLY A 34 -21.307 24.243 -21.045 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -21.703 24.811 -23.977 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -20.531 23.663 -23.361 1.00 0.00 H new TER 505 GLY A 34