USER MOD reduce.3.24.130724 H: found=0, std=0, add=247, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 247 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 NoAdj-H: A 1 THR H1 : A 1 THR N : A 37 PRO C :(NH2R) USER MOD NoAdj-H: A 1 THR H2 : A 1 THR N : A 37 PRO C :(NH2R) USER MOD Single : A 1 THR N :NH3+ 127:sc= 0.905 (180deg=-0.0482) USER MOD Single : A 1 THR OG1 : rot 76:sc= 0.8 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00411 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -80:sc= -0.113 USER MOD Single : A 22 THR OG1 : rot 30:sc= 0.015 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 144:sc= 0 (180deg=-0.0404) USER MOD Single : A 34 ASN : amide:sc= 1.25 K(o=1.3,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 5.232 7.166 -0.784 1.00 0.00 N ATOM 2 CA THR A 1 4.523 7.327 -2.011 1.00 0.00 C ATOM 3 C THR A 1 4.120 5.929 -2.423 1.00 0.00 C ATOM 4 O THR A 1 4.652 4.967 -1.871 1.00 0.00 O ATOM 5 CB THR A 1 5.407 7.983 -3.099 1.00 0.00 C ATOM 6 OG1 THR A 1 6.067 9.135 -2.565 1.00 0.00 O ATOM 7 CG2 THR A 1 4.582 8.400 -4.309 1.00 0.00 C ATOM 0 H3 THR A 1 6.158 7.634 -0.854 1.00 0.00 H new ATOM 0 HA THR A 1 3.663 7.985 -1.888 1.00 0.00 H new ATOM 0 HB THR A 1 6.142 7.244 -3.417 1.00 0.00 H new ATOM 0 HG1 THR A 1 6.813 8.851 -1.997 1.00 0.00 H new ATOM 0 HG21 THR A 1 5.234 8.857 -5.054 1.00 0.00 H new ATOM 0 HG22 THR A 1 4.098 7.523 -4.739 1.00 0.00 H new ATOM 0 HG23 THR A 1 3.823 9.119 -4.001 1.00 0.00 H new ATOM 15 N PHE A 2 3.176 5.824 -3.331 1.00 0.00 N ATOM 16 CA PHE A 2 2.672 4.537 -3.792 1.00 0.00 C ATOM 17 C PHE A 2 3.809 3.537 -4.044 1.00 0.00 C ATOM 18 O PHE A 2 4.562 3.657 -5.009 1.00 0.00 O ATOM 19 CB PHE A 2 1.830 4.773 -5.047 1.00 0.00 C ATOM 20 CG PHE A 2 1.567 3.553 -5.887 1.00 0.00 C ATOM 21 CD1 PHE A 2 1.083 2.385 -5.321 1.00 0.00 C ATOM 22 CD2 PHE A 2 1.792 3.587 -7.255 1.00 0.00 C ATOM 23 CE1 PHE A 2 0.834 1.274 -6.102 1.00 0.00 C ATOM 24 CE2 PHE A 2 1.542 2.478 -8.040 1.00 0.00 C ATOM 25 CZ PHE A 2 1.063 1.320 -7.463 1.00 0.00 C ATOM 0 H PHE A 2 2.731 6.627 -3.776 1.00 0.00 H new ATOM 0 HA PHE A 2 2.050 4.089 -3.017 1.00 0.00 H new ATOM 0 HB2 PHE A 2 0.873 5.200 -4.747 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.331 5.518 -5.665 1.00 0.00 H new ATOM 0 HD1 PHE A 2 0.898 2.343 -4.258 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.167 4.491 -7.712 1.00 0.00 H new ATOM 0 HE1 PHE A 2 0.460 0.368 -5.648 1.00 0.00 H new ATOM 0 HE2 PHE A 2 1.721 2.518 -9.104 1.00 0.00 H new ATOM 0 HZ PHE A 2 0.868 0.451 -8.074 1.00 0.00 H new ATOM 35 N CYS A 3 3.937 2.587 -3.118 1.00 0.00 N ATOM 36 CA CYS A 3 4.985 1.563 -3.160 1.00 0.00 C ATOM 37 C CYS A 3 4.977 0.773 -4.467 1.00 0.00 C ATOM 38 O CYS A 3 5.933 0.821 -5.240 1.00 0.00 O ATOM 39 CB CYS A 3 4.802 0.576 -2.001 1.00 0.00 C ATOM 40 SG CYS A 3 4.175 1.312 -0.458 1.00 0.00 S ATOM 0 H CYS A 3 3.315 2.504 -2.314 1.00 0.00 H new ATOM 0 HA CYS A 3 5.937 2.087 -3.079 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.115 -0.209 -2.317 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.760 0.098 -1.795 1.00 0.00 H new ATOM 45 N GLY A 4 3.901 0.032 -4.688 1.00 0.00 N ATOM 46 CA GLY A 4 3.777 -0.784 -5.880 1.00 0.00 C ATOM 47 C GLY A 4 2.547 -1.654 -5.797 1.00 0.00 C ATOM 48 O GLY A 4 1.787 -1.774 -6.756 1.00 0.00 O ATOM 0 H GLY A 4 3.103 -0.019 -4.055 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.719 -0.145 -6.761 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.664 -1.407 -5.996 1.00 0.00 H new ATOM 52 N GLU A 5 2.339 -2.235 -4.623 1.00 0.00 N ATOM 53 CA GLU A 5 1.175 -3.069 -4.378 1.00 0.00 C ATOM 54 C GLU A 5 -0.060 -2.203 -4.200 1.00 0.00 C ATOM 55 O GLU A 5 0.040 -0.978 -4.087 1.00 0.00 O ATOM 56 CB GLU A 5 1.364 -3.915 -3.125 1.00 0.00 C ATOM 57 CG GLU A 5 1.998 -5.267 -3.371 1.00 0.00 C ATOM 58 CD GLU A 5 1.334 -6.339 -2.539 1.00 0.00 C ATOM 59 OE1 GLU A 5 0.151 -6.634 -2.793 1.00 0.00 O ATOM 60 OE2 GLU A 5 1.981 -6.853 -1.607 1.00 0.00 O ATOM 0 H GLU A 5 2.966 -2.142 -3.824 1.00 0.00 H new ATOM 0 HA GLU A 5 1.050 -3.726 -5.238 1.00 0.00 H new ATOM 0 HB2 GLU A 5 1.982 -3.361 -2.418 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.393 -4.064 -2.652 1.00 0.00 H new ATOM 0 HG2 GLU A 5 1.920 -5.522 -4.428 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.061 -5.223 -3.132 1.00 0.00 H new ATOM 67 N THR A 6 -1.218 -2.832 -4.141 1.00 0.00 N ATOM 68 CA THR A 6 -2.454 -2.105 -3.944 1.00 0.00 C ATOM 69 C THR A 6 -3.335 -2.794 -2.911 1.00 0.00 C ATOM 70 O THR A 6 -3.854 -3.887 -3.140 1.00 0.00 O ATOM 71 CB THR A 6 -3.241 -1.947 -5.256 1.00 0.00 C ATOM 72 OG1 THR A 6 -3.219 -3.178 -5.995 1.00 0.00 O ATOM 73 CG2 THR A 6 -2.667 -0.825 -6.109 1.00 0.00 C ATOM 0 H THR A 6 -1.327 -3.843 -4.227 1.00 0.00 H new ATOM 0 HA THR A 6 -2.179 -1.114 -3.583 1.00 0.00 H new ATOM 0 HB THR A 6 -4.270 -1.693 -5.003 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.724 -3.069 -6.828 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.243 -0.737 -7.030 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.718 0.114 -5.558 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.628 -1.047 -6.351 1.00 0.00 H new ATOM 81 N CYS A 7 -3.515 -2.129 -1.787 1.00 0.00 N ATOM 82 CA CYS A 7 -4.352 -2.632 -0.705 1.00 0.00 C ATOM 83 C CYS A 7 -5.826 -2.374 -1.031 1.00 0.00 C ATOM 84 O CYS A 7 -6.511 -1.627 -0.339 1.00 0.00 O ATOM 85 CB CYS A 7 -3.931 -1.971 0.618 1.00 0.00 C ATOM 86 SG CYS A 7 -3.233 -0.300 0.396 1.00 0.00 S ATOM 0 H CYS A 7 -3.087 -1.224 -1.594 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.221 -3.709 -0.597 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.796 -1.912 1.278 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.194 -2.603 1.114 1.00 0.00 H new ATOM 91 N ARG A 8 -6.269 -2.983 -2.131 1.00 0.00 N ATOM 92 CA ARG A 8 -7.634 -2.844 -2.648 1.00 0.00 C ATOM 93 C ARG A 8 -8.671 -3.579 -1.800 1.00 0.00 C ATOM 94 O ARG A 8 -8.813 -3.332 -0.608 1.00 0.00 O ATOM 95 CB ARG A 8 -7.676 -3.354 -4.097 1.00 0.00 C ATOM 96 CG ARG A 8 -6.983 -4.698 -4.302 1.00 0.00 C ATOM 97 CD ARG A 8 -6.698 -4.963 -5.774 1.00 0.00 C ATOM 98 NE ARG A 8 -6.141 -6.304 -6.004 1.00 0.00 N ATOM 99 CZ ARG A 8 -4.927 -6.708 -5.605 1.00 0.00 C ATOM 100 NH1 ARG A 8 -4.091 -5.865 -5.010 1.00 0.00 N ATOM 101 NH2 ARG A 8 -4.539 -7.959 -5.826 1.00 0.00 N ATOM 0 H ARG A 8 -5.683 -3.596 -2.697 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.896 -1.787 -2.607 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.716 -3.442 -4.411 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.209 -2.613 -4.746 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.049 -4.715 -3.741 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.609 -5.496 -3.903 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.620 -4.852 -6.345 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -6.000 -4.214 -6.147 1.00 0.00 H new ATOM 0 HE ARG A 8 -6.722 -6.977 -6.504 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.370 -4.897 -4.852 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -3.170 -6.186 -4.711 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.165 -8.611 -6.299 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.615 -8.268 -5.523 1.00 0.00 H new ATOM 115 N VAL A 9 -9.386 -4.501 -2.437 1.00 0.00 N ATOM 116 CA VAL A 9 -10.420 -5.292 -1.761 1.00 0.00 C ATOM 117 C VAL A 9 -9.787 -6.514 -1.109 1.00 0.00 C ATOM 118 O VAL A 9 -10.426 -7.535 -0.865 1.00 0.00 O ATOM 119 CB VAL A 9 -11.524 -5.743 -2.743 1.00 0.00 C ATOM 120 CG1 VAL A 9 -12.298 -4.543 -3.266 1.00 0.00 C ATOM 121 CG2 VAL A 9 -10.929 -6.537 -3.899 1.00 0.00 C ATOM 0 H VAL A 9 -9.271 -4.723 -3.426 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.881 -4.661 -1.001 1.00 0.00 H new ATOM 0 HB VAL A 9 -12.214 -6.391 -2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.071 -4.881 -3.956 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.762 -4.017 -2.431 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.617 -3.869 -3.786 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.725 -6.844 -4.577 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.213 -5.915 -4.437 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.422 -7.421 -3.511 1.00 0.00 H new ATOM 131 N ILE A 10 -8.515 -6.335 -0.815 1.00 0.00 N ATOM 132 CA ILE A 10 -7.645 -7.299 -0.162 1.00 0.00 C ATOM 133 C ILE A 10 -6.389 -6.532 0.215 1.00 0.00 C ATOM 134 O ILE A 10 -5.345 -6.670 -0.423 1.00 0.00 O ATOM 135 CB ILE A 10 -7.268 -8.509 -1.060 1.00 0.00 C ATOM 136 CG1 ILE A 10 -7.157 -8.091 -2.532 1.00 0.00 C ATOM 137 CG2 ILE A 10 -8.266 -9.648 -0.887 1.00 0.00 C ATOM 138 CD1 ILE A 10 -6.750 -9.218 -3.457 1.00 0.00 C ATOM 0 H ILE A 10 -8.031 -5.465 -1.037 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.163 -7.727 0.696 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.290 -8.870 -0.742 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.117 -7.692 -2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.430 -7.283 -2.617 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -7.980 -10.483 -1.526 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.271 -9.973 0.153 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.262 -9.304 -1.164 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.693 -8.846 -4.480 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.776 -9.602 -3.155 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.488 -10.018 -3.403 1.00 0.00 H new ATOM 150 N PRO A 11 -6.506 -5.632 1.208 1.00 0.00 N ATOM 151 CA PRO A 11 -5.406 -4.765 1.624 1.00 0.00 C ATOM 152 C PRO A 11 -4.234 -5.485 2.269 1.00 0.00 C ATOM 153 O PRO A 11 -4.018 -6.679 2.078 1.00 0.00 O ATOM 154 CB PRO A 11 -6.047 -3.810 2.641 1.00 0.00 C ATOM 155 CG PRO A 11 -7.509 -3.929 2.425 1.00 0.00 C ATOM 156 CD PRO A 11 -7.739 -5.335 1.959 1.00 0.00 C ATOM 0 HA PRO A 11 -4.971 -4.280 0.750 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.777 -4.083 3.661 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.709 -2.786 2.485 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.058 -3.727 3.345 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.855 -3.209 1.683 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.880 -6.021 2.794 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.626 -5.413 1.330 1.00 0.00 H new ATOM 164 N VAL A 12 -3.482 -4.706 3.034 1.00 0.00 N ATOM 165 CA VAL A 12 -2.303 -5.175 3.735 1.00 0.00 C ATOM 166 C VAL A 12 -1.238 -5.613 2.743 1.00 0.00 C ATOM 167 O VAL A 12 -0.928 -6.798 2.612 1.00 0.00 O ATOM 168 CB VAL A 12 -2.598 -6.321 4.731 1.00 0.00 C ATOM 169 CG1 VAL A 12 -1.396 -6.575 5.632 1.00 0.00 C ATOM 170 CG2 VAL A 12 -3.835 -6.016 5.566 1.00 0.00 C ATOM 0 H VAL A 12 -3.680 -3.717 3.185 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.941 -4.332 4.323 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.794 -7.224 4.153 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.625 -7.385 6.325 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.536 -6.852 5.022 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.166 -5.670 6.195 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.019 -6.838 6.257 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.676 -5.097 6.130 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.696 -5.895 4.909 1.00 0.00 H new ATOM 180 N CYS A 13 -0.696 -4.627 2.044 1.00 0.00 N ATOM 181 CA CYS A 13 0.340 -4.846 1.044 1.00 0.00 C ATOM 182 C CYS A 13 1.481 -5.658 1.657 1.00 0.00 C ATOM 183 O CYS A 13 2.234 -5.142 2.475 1.00 0.00 O ATOM 184 CB CYS A 13 0.860 -3.485 0.590 1.00 0.00 C ATOM 185 SG CYS A 13 -0.392 -2.166 0.725 1.00 0.00 S ATOM 0 H CYS A 13 -0.963 -3.649 2.154 1.00 0.00 H new ATOM 0 HA CYS A 13 -0.064 -5.396 0.194 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.730 -3.216 1.189 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.195 -3.556 -0.445 1.00 0.00 H new ATOM 190 N THR A 14 1.573 -6.927 1.292 1.00 0.00 N ATOM 191 CA THR A 14 2.588 -7.818 1.847 1.00 0.00 C ATOM 192 C THR A 14 3.970 -7.627 1.209 1.00 0.00 C ATOM 193 O THR A 14 4.991 -7.706 1.892 1.00 0.00 O ATOM 194 CB THR A 14 2.147 -9.286 1.695 1.00 0.00 C ATOM 195 OG1 THR A 14 0.820 -9.446 2.218 1.00 0.00 O ATOM 196 CG2 THR A 14 3.095 -10.226 2.426 1.00 0.00 C ATOM 0 H THR A 14 0.955 -7.368 0.611 1.00 0.00 H new ATOM 0 HA THR A 14 2.683 -7.561 2.902 1.00 0.00 H new ATOM 0 HB THR A 14 2.164 -9.538 0.635 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.540 -10.380 2.119 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.757 -11.254 2.300 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.099 -10.121 2.016 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.109 -9.976 3.487 1.00 0.00 H new ATOM 204 N TYR A 15 4.008 -7.370 -0.088 1.00 0.00 N ATOM 205 CA TYR A 15 5.269 -7.172 -0.793 1.00 0.00 C ATOM 206 C TYR A 15 5.890 -5.850 -0.380 1.00 0.00 C ATOM 207 O TYR A 15 7.086 -5.751 -0.119 1.00 0.00 O ATOM 208 CB TYR A 15 5.038 -7.198 -2.307 1.00 0.00 C ATOM 209 CG TYR A 15 6.299 -7.040 -3.127 1.00 0.00 C ATOM 210 CD1 TYR A 15 7.405 -7.845 -2.893 1.00 0.00 C ATOM 211 CD2 TYR A 15 6.383 -6.085 -4.133 1.00 0.00 C ATOM 212 CE1 TYR A 15 8.560 -7.706 -3.639 1.00 0.00 C ATOM 213 CE2 TYR A 15 7.535 -5.940 -4.884 1.00 0.00 C ATOM 214 CZ TYR A 15 8.620 -6.753 -4.632 1.00 0.00 C ATOM 215 OH TYR A 15 9.768 -6.611 -5.377 1.00 0.00 O ATOM 0 H TYR A 15 3.179 -7.293 -0.678 1.00 0.00 H new ATOM 0 HA TYR A 15 5.952 -7.980 -0.531 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.559 -8.140 -2.574 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.343 -6.401 -2.571 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.362 -8.593 -2.115 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.535 -5.446 -4.331 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.411 -8.341 -3.444 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.585 -5.194 -5.664 1.00 0.00 H new ATOM 0 HH TYR A 15 9.644 -5.896 -6.036 1.00 0.00 H new ATOM 225 N SER A 16 5.050 -4.837 -0.315 1.00 0.00 N ATOM 226 CA SER A 16 5.481 -3.503 0.070 1.00 0.00 C ATOM 227 C SER A 16 5.608 -3.387 1.590 1.00 0.00 C ATOM 228 O SER A 16 6.102 -2.384 2.106 1.00 0.00 O ATOM 229 CB SER A 16 4.493 -2.475 -0.480 1.00 0.00 C ATOM 230 OG SER A 16 4.315 -2.647 -1.878 1.00 0.00 O ATOM 0 H SER A 16 4.055 -4.911 -0.526 1.00 0.00 H new ATOM 0 HA SER A 16 6.467 -3.309 -0.353 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.534 -2.576 0.029 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.857 -1.468 -0.276 1.00 0.00 H new ATOM 0 HG SER A 16 5.063 -2.232 -2.356 1.00 0.00 H new ATOM 236 N ALA A 17 5.160 -4.417 2.302 1.00 0.00 N ATOM 237 CA ALA A 17 5.217 -4.423 3.762 1.00 0.00 C ATOM 238 C ALA A 17 6.651 -4.357 4.283 1.00 0.00 C ATOM 239 O ALA A 17 6.877 -3.911 5.402 1.00 0.00 O ATOM 240 CB ALA A 17 4.521 -5.649 4.329 1.00 0.00 C ATOM 0 H ALA A 17 4.754 -5.258 1.893 1.00 0.00 H new ATOM 0 HA ALA A 17 4.696 -3.527 4.098 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.578 -5.629 5.417 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.476 -5.649 4.020 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.010 -6.549 3.957 1.00 0.00 H new ATOM 246 N ALA A 18 7.612 -4.807 3.471 1.00 0.00 N ATOM 247 CA ALA A 18 9.026 -4.797 3.861 1.00 0.00 C ATOM 248 C ALA A 18 9.456 -3.401 4.311 1.00 0.00 C ATOM 249 O ALA A 18 10.134 -3.238 5.323 1.00 0.00 O ATOM 250 CB ALA A 18 9.896 -5.274 2.707 1.00 0.00 C ATOM 0 H ALA A 18 7.437 -5.183 2.539 1.00 0.00 H new ATOM 0 HA ALA A 18 9.154 -5.480 4.701 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.943 -5.261 3.011 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.610 -6.289 2.432 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.759 -4.614 1.851 1.00 0.00 H new ATOM 256 N LEU A 19 9.018 -2.402 3.561 1.00 0.00 N ATOM 257 CA LEU A 19 9.302 -1.003 3.869 1.00 0.00 C ATOM 258 C LEU A 19 8.422 -0.456 4.968 1.00 0.00 C ATOM 259 O LEU A 19 8.621 0.666 5.419 1.00 0.00 O ATOM 260 CB LEU A 19 9.116 -0.131 2.633 1.00 0.00 C ATOM 261 CG LEU A 19 10.382 0.183 1.844 1.00 0.00 C ATOM 262 CD1 LEU A 19 11.192 -1.076 1.568 1.00 0.00 C ATOM 263 CD2 LEU A 19 10.034 0.889 0.545 1.00 0.00 C ATOM 0 H LEU A 19 8.455 -2.535 2.721 1.00 0.00 H new ATOM 0 HA LEU A 19 10.338 -0.976 4.208 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.409 -0.625 1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.660 0.810 2.941 1.00 0.00 H new ATOM 0 HG LEU A 19 10.998 0.847 2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.088 -0.816 1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.479 -1.538 2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.590 -1.777 0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 19 10.948 1.107 -0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.391 0.247 -0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.513 1.821 0.766 1.00 0.00 H new ATOM 275 N GLY A 20 7.428 -1.218 5.354 1.00 0.00 N ATOM 276 CA GLY A 20 6.498 -0.757 6.355 1.00 0.00 C ATOM 277 C GLY A 20 5.496 0.160 5.705 1.00 0.00 C ATOM 278 O GLY A 20 5.043 1.138 6.299 1.00 0.00 O ATOM 0 H GLY A 20 7.243 -2.154 4.993 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.990 -1.604 6.816 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.029 -0.233 7.150 1.00 0.00 H new ATOM 282 N CYS A 21 5.187 -0.169 4.454 1.00 0.00 N ATOM 283 CA CYS A 21 4.261 0.598 3.643 1.00 0.00 C ATOM 284 C CYS A 21 2.913 0.756 4.326 1.00 0.00 C ATOM 285 O CYS A 21 2.191 -0.220 4.546 1.00 0.00 O ATOM 286 CB CYS A 21 4.089 -0.071 2.275 1.00 0.00 C ATOM 287 SG CYS A 21 5.302 0.468 1.013 1.00 0.00 S ATOM 0 H CYS A 21 5.577 -0.981 3.976 1.00 0.00 H new ATOM 0 HA CYS A 21 4.679 1.596 3.509 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.168 -1.151 2.400 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.084 0.135 1.907 1.00 0.00 H new ATOM 292 N THR A 22 2.574 1.995 4.639 1.00 0.00 N ATOM 293 CA THR A 22 1.318 2.299 5.270 1.00 0.00 C ATOM 294 C THR A 22 0.269 2.604 4.221 1.00 0.00 C ATOM 295 O THR A 22 0.469 3.417 3.322 1.00 0.00 O ATOM 296 CB THR A 22 1.431 3.482 6.239 1.00 0.00 C ATOM 297 OG1 THR A 22 2.140 4.564 5.620 1.00 0.00 O ATOM 298 CG2 THR A 22 2.139 3.070 7.522 1.00 0.00 C ATOM 0 H THR A 22 3.163 2.808 4.461 1.00 0.00 H new ATOM 0 HA THR A 22 1.025 1.421 5.846 1.00 0.00 H new ATOM 0 HB THR A 22 0.422 3.810 6.490 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.993 4.540 4.651 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.206 3.927 8.192 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.577 2.273 8.008 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.142 2.715 7.286 1.00 0.00 H new ATOM 306 N CYS A 23 -0.844 1.936 4.338 1.00 0.00 N ATOM 307 CA CYS A 23 -1.942 2.120 3.412 1.00 0.00 C ATOM 308 C CYS A 23 -2.905 3.187 3.950 1.00 0.00 C ATOM 309 O CYS A 23 -2.490 4.139 4.608 1.00 0.00 O ATOM 310 CB CYS A 23 -2.654 0.771 3.189 1.00 0.00 C ATOM 311 SG CYS A 23 -3.984 0.780 1.934 1.00 0.00 S ATOM 0 H CYS A 23 -1.022 1.250 5.072 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.565 2.469 2.451 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.909 0.031 2.898 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -3.077 0.442 4.138 1.00 0.00 H new ATOM 316 N ASP A 24 -4.180 2.989 3.682 1.00 0.00 N ATOM 317 CA ASP A 24 -5.250 3.871 4.129 1.00 0.00 C ATOM 318 C ASP A 24 -6.508 3.027 4.285 1.00 0.00 C ATOM 319 O ASP A 24 -7.103 2.959 5.356 1.00 0.00 O ATOM 320 CB ASP A 24 -5.472 4.995 3.108 1.00 0.00 C ATOM 321 CG ASP A 24 -6.699 5.833 3.407 1.00 0.00 C ATOM 322 OD1 ASP A 24 -6.771 6.431 4.498 1.00 0.00 O ATOM 323 OD2 ASP A 24 -7.595 5.904 2.536 1.00 0.00 O ATOM 0 H ASP A 24 -4.513 2.194 3.136 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.992 4.338 5.079 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.594 5.640 3.090 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.569 4.561 2.113 1.00 0.00 H new ATOM 328 N ASP A 25 -6.840 2.346 3.188 1.00 0.00 N ATOM 329 CA ASP A 25 -7.977 1.426 3.088 1.00 0.00 C ATOM 330 C ASP A 25 -9.321 2.059 3.331 1.00 0.00 C ATOM 331 O ASP A 25 -9.597 2.695 4.348 1.00 0.00 O ATOM 332 CB ASP A 25 -7.806 0.188 3.975 1.00 0.00 C ATOM 333 CG ASP A 25 -9.036 -0.708 3.944 1.00 0.00 C ATOM 334 OD1 ASP A 25 -9.545 -0.982 2.832 1.00 0.00 O ATOM 335 OD2 ASP A 25 -9.484 -1.146 5.020 1.00 0.00 O ATOM 0 H ASP A 25 -6.311 2.420 2.319 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.970 1.116 2.043 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.936 -0.379 3.643 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.611 0.501 5.001 1.00 0.00 H new ATOM 340 N ARG A 26 -10.161 1.835 2.347 1.00 0.00 N ATOM 341 CA ARG A 26 -11.519 2.310 2.343 1.00 0.00 C ATOM 342 C ARG A 26 -12.284 1.342 1.485 1.00 0.00 C ATOM 343 O ARG A 26 -13.027 1.737 0.587 1.00 0.00 O ATOM 344 CB ARG A 26 -11.611 3.719 1.750 1.00 0.00 C ATOM 345 CG ARG A 26 -10.366 4.575 1.926 1.00 0.00 C ATOM 346 CD ARG A 26 -10.644 6.042 1.641 1.00 0.00 C ATOM 347 NE ARG A 26 -11.372 6.686 2.739 1.00 0.00 N ATOM 348 CZ ARG A 26 -10.832 6.952 3.935 1.00 0.00 C ATOM 349 NH1 ARG A 26 -9.545 6.712 4.157 1.00 0.00 N ATOM 350 NH2 ARG A 26 -11.576 7.483 4.900 1.00 0.00 N ATOM 0 H ARG A 26 -9.911 1.306 1.511 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.917 2.368 3.356 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.828 3.635 0.685 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.455 4.235 2.207 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.992 4.467 2.944 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.582 4.217 1.259 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.702 6.564 1.475 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.223 6.129 0.722 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.346 6.946 2.583 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -8.963 6.323 3.415 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -9.138 6.916 5.070 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.561 7.689 4.730 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.162 7.685 5.810 1.00 0.00 H new ATOM 364 N SER A 27 -11.985 0.061 1.730 1.00 0.00 N ATOM 365 CA SER A 27 -12.520 -1.049 0.957 1.00 0.00 C ATOM 366 C SER A 27 -11.705 -1.122 -0.329 1.00 0.00 C ATOM 367 O SER A 27 -11.941 -1.950 -1.211 1.00 0.00 O ATOM 368 CB SER A 27 -14.015 -0.874 0.683 1.00 0.00 C ATOM 369 OG SER A 27 -14.728 -0.696 1.896 1.00 0.00 O ATOM 0 H SER A 27 -11.358 -0.230 2.480 1.00 0.00 H new ATOM 0 HA SER A 27 -12.436 -1.984 1.511 1.00 0.00 H new ATOM 0 HB2 SER A 27 -14.173 -0.014 0.033 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.398 -1.747 0.155 1.00 0.00 H new ATOM 0 HG SER A 27 -15.682 -0.584 1.701 1.00 0.00 H new ATOM 375 N ASP A 28 -10.719 -0.223 -0.366 1.00 0.00 N ATOM 376 CA ASP A 28 -9.764 -0.060 -1.447 1.00 0.00 C ATOM 377 C ASP A 28 -8.930 1.183 -1.145 1.00 0.00 C ATOM 378 O ASP A 28 -9.389 2.071 -0.422 1.00 0.00 O ATOM 379 CB ASP A 28 -10.461 0.068 -2.811 1.00 0.00 C ATOM 380 CG ASP A 28 -9.512 -0.091 -3.991 1.00 0.00 C ATOM 381 OD1 ASP A 28 -8.295 -0.273 -3.769 1.00 0.00 O ATOM 382 OD2 ASP A 28 -9.989 -0.048 -5.144 1.00 0.00 O ATOM 0 H ASP A 28 -10.564 0.438 0.395 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.128 -0.943 -1.509 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.246 -0.685 -2.882 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.946 1.042 -2.873 1.00 0.00 H new ATOM 387 N GLY A 29 -7.717 1.250 -1.668 1.00 0.00 N ATOM 388 CA GLY A 29 -6.874 2.399 -1.409 1.00 0.00 C ATOM 389 C GLY A 29 -5.593 2.385 -2.205 1.00 0.00 C ATOM 390 O GLY A 29 -5.606 2.203 -3.420 1.00 0.00 O ATOM 0 H GLY A 29 -7.302 0.534 -2.264 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.429 3.308 -1.640 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.634 2.434 -0.346 1.00 0.00 H new ATOM 394 N LEU A 30 -4.482 2.608 -1.516 1.00 0.00 N ATOM 395 CA LEU A 30 -3.187 2.655 -2.165 1.00 0.00 C ATOM 396 C LEU A 30 -2.063 2.611 -1.129 1.00 0.00 C ATOM 397 O LEU A 30 -2.056 3.397 -0.178 1.00 0.00 O ATOM 398 CB LEU A 30 -3.105 3.946 -2.973 1.00 0.00 C ATOM 399 CG LEU A 30 -1.936 4.047 -3.948 1.00 0.00 C ATOM 400 CD1 LEU A 30 -2.144 3.087 -5.109 1.00 0.00 C ATOM 401 CD2 LEU A 30 -1.783 5.472 -4.450 1.00 0.00 C ATOM 0 H LEU A 30 -4.456 2.759 -0.508 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.072 1.791 -2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.032 4.060 -3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.047 4.784 -2.278 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.019 3.772 -3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.305 3.165 -5.801 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.208 2.067 -4.731 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.068 3.340 -5.629 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.944 5.525 -5.144 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.696 5.778 -4.960 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.598 6.137 -3.606 1.00 0.00 H new ATOM 413 N CYS A 31 -1.124 1.689 -1.317 1.00 0.00 N ATOM 414 CA CYS A 31 0.005 1.531 -0.399 1.00 0.00 C ATOM 415 C CYS A 31 0.960 2.716 -0.498 1.00 0.00 C ATOM 416 O CYS A 31 1.192 3.248 -1.584 1.00 0.00 O ATOM 417 CB CYS A 31 0.763 0.244 -0.712 1.00 0.00 C ATOM 418 SG CYS A 31 -0.305 -1.191 -1.048 1.00 0.00 S ATOM 0 H CYS A 31 -1.121 1.036 -2.100 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.392 1.484 0.615 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.405 0.415 -1.576 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.416 0.007 0.128 1.00 0.00 H new ATOM 423 N LYS A 32 1.508 3.127 0.634 1.00 0.00 N ATOM 424 CA LYS A 32 2.433 4.249 0.681 1.00 0.00 C ATOM 425 C LYS A 32 3.731 3.809 1.363 1.00 0.00 C ATOM 426 O LYS A 32 3.693 3.081 2.341 1.00 0.00 O ATOM 427 CB LYS A 32 1.756 5.400 1.422 1.00 0.00 C ATOM 428 CG LYS A 32 1.925 6.756 0.757 1.00 0.00 C ATOM 429 CD LYS A 32 1.480 6.719 -0.705 1.00 0.00 C ATOM 430 CE LYS A 32 0.110 6.074 -0.881 1.00 0.00 C ATOM 431 NZ LYS A 32 -0.948 6.746 -0.073 1.00 0.00 N ATOM 0 H LYS A 32 1.326 2.696 1.541 1.00 0.00 H new ATOM 0 HA LYS A 32 2.691 4.589 -0.322 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.692 5.183 1.512 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.158 5.452 2.434 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.343 7.503 1.297 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.969 7.063 0.813 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.453 7.735 -1.099 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.215 6.169 -1.292 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.169 6.103 -1.934 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.168 5.024 -0.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.843 6.745 -0.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.077 6.236 0.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.664 7.727 0.125 1.00 0.00 H new ATOM 445 N ARG A 33 4.875 4.194 0.797 1.00 0.00 N ATOM 446 CA ARG A 33 6.182 3.761 1.318 1.00 0.00 C ATOM 447 C ARG A 33 6.625 4.517 2.571 1.00 0.00 C ATOM 448 O ARG A 33 5.810 4.873 3.415 1.00 0.00 O ATOM 449 CB ARG A 33 7.256 3.901 0.228 1.00 0.00 C ATOM 450 CG ARG A 33 7.083 2.928 -0.924 1.00 0.00 C ATOM 451 CD ARG A 33 8.201 3.026 -1.956 1.00 0.00 C ATOM 452 NE ARG A 33 8.172 4.281 -2.711 1.00 0.00 N ATOM 453 CZ ARG A 33 8.899 5.357 -2.407 1.00 0.00 C ATOM 454 NH1 ARG A 33 9.759 5.322 -1.397 1.00 0.00 N ATOM 455 NH2 ARG A 33 8.786 6.462 -3.129 1.00 0.00 N ATOM 0 H ARG A 33 4.929 4.803 -0.020 1.00 0.00 H new ATOM 0 HA ARG A 33 6.062 2.717 1.607 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.236 4.919 -0.161 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.238 3.750 0.676 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.045 1.912 -0.532 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.127 3.117 -1.412 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.163 2.933 -1.452 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.123 2.189 -2.650 1.00 0.00 H new ATOM 0 HE ARG A 33 7.556 4.335 -3.522 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.867 4.469 -0.848 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.312 6.148 -1.169 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.142 6.491 -3.919 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.343 7.284 -2.894 1.00 0.00 H new ATOM 469 N ASN A 34 7.938 4.733 2.681 1.00 0.00 N ATOM 470 CA ASN A 34 8.546 5.421 3.819 1.00 0.00 C ATOM 471 C ASN A 34 9.802 6.140 3.362 1.00 0.00 C ATOM 472 O ASN A 34 10.330 5.832 2.296 1.00 0.00 O ATOM 473 CB ASN A 34 8.878 4.433 4.923 1.00 0.00 C ATOM 474 CG ASN A 34 7.715 4.162 5.849 1.00 0.00 C ATOM 475 OD1 ASN A 34 7.144 5.077 6.437 1.00 0.00 O ATOM 476 ND2 ASN A 34 7.375 2.892 5.992 1.00 0.00 N ATOM 0 H ASN A 34 8.613 4.433 1.977 1.00 0.00 H new ATOM 0 HA ASN A 34 7.838 6.149 4.215 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.204 3.494 4.475 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.716 4.817 5.505 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.607 2.636 6.613 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.880 2.168 5.481 1.00 0.00 H new ATOM 483 N GLY A 35 10.233 7.140 4.128 1.00 0.00 N ATOM 484 CA GLY A 35 11.386 7.948 3.741 1.00 0.00 C ATOM 485 C GLY A 35 10.910 9.039 2.811 1.00 0.00 C ATOM 486 O GLY A 35 11.203 10.221 2.980 1.00 0.00 O ATOM 0 H GLY A 35 9.805 7.408 5.014 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.860 8.380 4.622 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.135 7.329 3.248 1.00 0.00 H new ATOM 490 N ASP A 36 10.097 8.594 1.880 1.00 0.00 N ATOM 491 CA ASP A 36 9.422 9.414 0.897 1.00 0.00 C ATOM 492 C ASP A 36 8.123 8.673 0.539 1.00 0.00 C ATOM 493 O ASP A 36 7.881 8.311 -0.613 1.00 0.00 O ATOM 494 CB ASP A 36 10.313 9.650 -0.341 1.00 0.00 C ATOM 495 CG ASP A 36 10.611 8.383 -1.128 1.00 0.00 C ATOM 496 OD1 ASP A 36 11.087 7.395 -0.530 1.00 0.00 O ATOM 497 OD2 ASP A 36 10.356 8.367 -2.350 1.00 0.00 O ATOM 0 H ASP A 36 9.877 7.603 1.782 1.00 0.00 H new ATOM 0 HA ASP A 36 9.202 10.406 1.291 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.824 10.369 -0.998 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.254 10.099 -0.021 1.00 0.00 H new ATOM 502 N PRO A 37 7.282 8.384 1.572 1.00 0.00 N ATOM 503 CA PRO A 37 6.024 7.627 1.424 1.00 0.00 C ATOM 504 C PRO A 37 5.188 8.035 0.221 1.00 0.00 C ATOM 505 O PRO A 37 4.525 9.070 0.206 1.00 0.00 O ATOM 506 CB PRO A 37 5.339 7.907 2.770 1.00 0.00 C ATOM 507 CG PRO A 37 6.509 7.836 3.674 1.00 0.00 C ATOM 508 CD PRO A 37 7.498 8.732 3.000 1.00 0.00 C ATOM 0 HA PRO A 37 6.181 6.568 1.220 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.852 8.882 2.795 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.579 7.165 3.013 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.267 8.183 4.678 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.885 6.818 3.771 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.301 9.785 3.200 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.520 8.532 3.322 1.00 0.00 H new TER 516 PRO A 37