USER MOD reduce.3.24.130724 H: found=0, std=0, add=245, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 246 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 5 ASN : amide:sc= -0.0545 K(o=-0.054,f=-0.71) USER MOD Single : A 8 THR OG1 : rot -143:sc= -0.814 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.141 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -4.9! C(o=-4.9!,f=-11!) USER MOD Single : A 34 TYR OH : rot -92:sc= -0.97 USER MOD ----------------------------------------------------------------- ATOM 8 N CYS A 2 -0.595 0.849 -4.304 1.00 35.53 N ATOM 9 CA CYS A 2 -1.354 -0.394 -4.384 1.00 15.43 C ATOM 10 C CYS A 2 -2.732 -0.231 -3.748 1.00 73.03 C ATOM 11 O CYS A 2 -3.093 0.855 -3.292 1.00 65.34 O ATOM 12 CB CYS A 2 -0.593 -1.527 -3.693 1.00 43.50 C ATOM 13 SG CYS A 2 0.881 -2.094 -4.602 1.00 12.24 S ATOM 0 HA CYS A 2 -1.485 -0.643 -5.437 1.00 15.43 H new ATOM 0 HB2 CYS A 2 -0.289 -1.194 -2.701 1.00 43.50 H new ATOM 0 HB3 CYS A 2 -1.268 -2.371 -3.553 1.00 43.50 H new ATOM 18 N ILE A 3 -3.497 -1.317 -3.722 1.00 74.01 N ATOM 19 CA ILE A 3 -4.834 -1.295 -3.142 1.00 33.23 C ATOM 20 C ILE A 3 -5.763 -0.382 -3.935 1.00 71.41 C ATOM 21 O ILE A 3 -6.062 0.736 -3.513 1.00 62.24 O ATOM 22 CB ILE A 3 -4.804 -0.828 -1.675 1.00 4.34 C ATOM 23 CG1 ILE A 3 -3.714 -1.574 -0.902 1.00 10.34 C ATOM 24 CG2 ILE A 3 -6.162 -1.039 -1.023 1.00 0.11 C ATOM 25 CD1 ILE A 3 -2.550 -0.696 -0.499 1.00 10.41 C ATOM 0 H ILE A 3 -3.214 -2.223 -4.096 1.00 74.01 H new ATOM 0 HA ILE A 3 -5.211 -2.317 -3.182 1.00 33.23 H new ATOM 0 HB ILE A 3 -4.575 0.237 -1.653 1.00 4.34 H new ATOM 0 HG12 ILE A 3 -4.152 -2.016 -0.007 1.00 10.34 H new ATOM 0 HG13 ILE A 3 -3.344 -2.396 -1.514 1.00 10.34 H new ATOM 0 HG21 ILE A 3 -6.124 -0.704 0.014 1.00 0.11 H new ATOM 0 HG22 ILE A 3 -6.917 -0.467 -1.562 1.00 0.11 H new ATOM 0 HG23 ILE A 3 -6.419 -2.098 -1.053 1.00 0.11 H new ATOM 0 HD11 ILE A 3 -1.816 -1.291 0.045 1.00 10.41 H new ATOM 0 HD12 ILE A 3 -2.086 -0.275 -1.391 1.00 10.41 H new ATOM 0 HD13 ILE A 3 -2.907 0.111 0.140 1.00 10.41 H new ATOM 37 N LEU A 4 -6.219 -0.867 -5.085 1.00 43.41 N ATOM 38 CA LEU A 4 -7.116 -0.095 -5.938 1.00 74.30 C ATOM 39 C LEU A 4 -8.208 -0.985 -6.525 1.00 43.42 C ATOM 40 O LEU A 4 -8.951 -0.568 -7.412 1.00 14.30 O ATOM 41 CB LEU A 4 -6.329 0.577 -7.064 1.00 73.24 C ATOM 42 CG LEU A 4 -5.838 1.998 -6.785 1.00 74.21 C ATOM 43 CD1 LEU A 4 -4.927 2.477 -7.904 1.00 2.20 C ATOM 44 CD2 LEU A 4 -7.017 2.945 -6.612 1.00 61.21 C ATOM 0 H LEU A 4 -5.983 -1.790 -5.448 1.00 43.41 H new ATOM 0 HA LEU A 4 -7.589 0.673 -5.326 1.00 74.30 H new ATOM 0 HB2 LEU A 4 -5.465 -0.045 -7.298 1.00 73.24 H new ATOM 0 HB3 LEU A 4 -6.956 0.599 -7.955 1.00 73.24 H new ATOM 0 HG LEU A 4 -5.266 1.989 -5.857 1.00 74.21 H new ATOM 0 HD11 LEU A 4 -4.587 3.490 -7.688 1.00 2.20 H new ATOM 0 HD12 LEU A 4 -4.065 1.814 -7.981 1.00 2.20 H new ATOM 0 HD13 LEU A 4 -5.474 2.471 -8.847 1.00 2.20 H new ATOM 0 HD21 LEU A 4 -6.649 3.952 -6.414 1.00 61.21 H new ATOM 0 HD22 LEU A 4 -7.616 2.950 -7.522 1.00 61.21 H new ATOM 0 HD23 LEU A 4 -7.631 2.612 -5.775 1.00 61.21 H new ATOM 56 N ASN A 5 -8.298 -2.212 -6.022 1.00 52.43 N ATOM 57 CA ASN A 5 -9.300 -3.160 -6.496 1.00 11.30 C ATOM 58 C ASN A 5 -9.169 -4.497 -5.773 1.00 3.42 C ATOM 59 O ASN A 5 -9.224 -5.558 -6.393 1.00 2.22 O ATOM 60 CB ASN A 5 -9.162 -3.368 -8.005 1.00 50.15 C ATOM 61 CG ASN A 5 -10.504 -3.387 -8.712 1.00 1.53 C ATOM 62 OD1 ASN A 5 -11.529 -3.714 -8.113 1.00 4.53 O ATOM 63 ND2 ASN A 5 -10.503 -3.035 -9.992 1.00 53.22 N ATOM 0 H ASN A 5 -7.690 -2.573 -5.287 1.00 52.43 H new ATOM 0 HA ASN A 5 -10.285 -2.746 -6.282 1.00 11.30 H new ATOM 0 HB2 ASN A 5 -8.545 -2.573 -8.424 1.00 50.15 H new ATOM 0 HB3 ASN A 5 -8.642 -4.307 -8.193 1.00 50.15 H new ATOM 0 HD21 ASN A 5 -11.376 -3.028 -10.520 1.00 53.22 H new ATOM 0 HD22 ASN A 5 -9.629 -2.771 -10.448 1.00 53.22 H new ATOM 70 N GLY A 6 -8.995 -4.437 -4.456 1.00 11.52 N ATOM 71 CA GLY A 6 -8.859 -5.649 -3.669 1.00 51.45 C ATOM 72 C GLY A 6 -8.346 -5.377 -2.269 1.00 53.22 C ATOM 73 O GLY A 6 -8.542 -4.287 -1.730 1.00 64.40 O ATOM 0 H GLY A 6 -8.946 -3.571 -3.920 1.00 11.52 H new ATOM 0 HA2 GLY A 6 -9.826 -6.149 -3.608 1.00 51.45 H new ATOM 0 HA3 GLY A 6 -8.178 -6.333 -4.176 1.00 51.45 H new ATOM 77 N ARG A 7 -7.690 -6.370 -1.678 1.00 1.30 N ATOM 78 CA ARG A 7 -7.150 -6.233 -0.330 1.00 72.25 C ATOM 79 C ARG A 7 -5.659 -5.913 -0.372 1.00 22.51 C ATOM 80 O ARG A 7 -5.191 -4.992 0.298 1.00 23.54 O ATOM 81 CB ARG A 7 -7.386 -7.516 0.469 1.00 64.35 C ATOM 82 CG ARG A 7 -8.032 -7.280 1.824 1.00 73.04 C ATOM 83 CD ARG A 7 -8.444 -8.588 2.480 1.00 20.41 C ATOM 84 NE ARG A 7 -9.629 -9.167 1.853 1.00 52.54 N ATOM 85 CZ ARG A 7 -10.858 -8.695 2.029 1.00 53.41 C ATOM 86 NH1 ARG A 7 -11.062 -7.642 2.809 1.00 34.44 N ATOM 87 NH2 ARG A 7 -11.886 -9.275 1.423 1.00 35.14 N ATOM 0 H ARG A 7 -7.519 -7.278 -2.111 1.00 1.30 H new ATOM 0 HA ARG A 7 -7.667 -5.408 0.160 1.00 72.25 H new ATOM 0 HB2 ARG A 7 -8.019 -8.186 -0.114 1.00 64.35 H new ATOM 0 HB3 ARG A 7 -6.433 -8.024 0.614 1.00 64.35 H new ATOM 0 HG2 ARG A 7 -7.335 -6.750 2.473 1.00 73.04 H new ATOM 0 HG3 ARG A 7 -8.906 -6.640 1.705 1.00 73.04 H new ATOM 0 HD2 ARG A 7 -7.619 -9.298 2.421 1.00 20.41 H new ATOM 0 HD3 ARG A 7 -8.641 -8.416 3.538 1.00 20.41 H new ATOM 0 HE ARG A 7 -9.506 -9.978 1.247 1.00 52.54 H new ATOM 0 HH11 ARG A 7 -10.274 -7.193 3.275 1.00 34.44 H new ATOM 0 HH12 ARG A 7 -12.007 -7.282 2.942 1.00 34.44 H new ATOM 0 HH21 ARG A 7 -11.733 -10.084 0.821 1.00 35.14 H new ATOM 0 HH22 ARG A 7 -12.829 -8.912 1.559 1.00 35.14 H new ATOM 101 N THR A 8 -4.916 -6.681 -1.164 1.00 21.15 N ATOM 102 CA THR A 8 -3.478 -6.481 -1.291 1.00 61.34 C ATOM 103 C THR A 8 -2.758 -6.823 0.008 1.00 63.22 C ATOM 104 O THR A 8 -3.122 -6.335 1.078 1.00 44.54 O ATOM 105 CB THR A 8 -3.145 -5.029 -1.683 1.00 31.22 C ATOM 106 OG1 THR A 8 -4.007 -4.597 -2.741 1.00 72.35 O ATOM 107 CG2 THR A 8 -1.694 -4.906 -2.122 1.00 22.13 C ATOM 0 H THR A 8 -5.287 -7.447 -1.727 1.00 21.15 H new ATOM 0 HA THR A 8 -3.135 -7.150 -2.080 1.00 61.34 H new ATOM 0 HB THR A 8 -3.298 -4.396 -0.809 1.00 31.22 H new ATOM 0 HG1 THR A 8 -3.506 -4.023 -3.357 1.00 72.35 H new ATOM 0 HG21 THR A 8 -1.483 -3.872 -2.394 1.00 22.13 H new ATOM 0 HG22 THR A 8 -1.040 -5.207 -1.304 1.00 22.13 H new ATOM 0 HG23 THR A 8 -1.519 -5.551 -2.983 1.00 22.13 H new ATOM 115 N ASP A 9 -1.734 -7.664 -0.092 1.00 73.33 N ATOM 116 CA ASP A 9 -0.961 -8.070 1.076 1.00 71.23 C ATOM 117 C ASP A 9 -1.878 -8.570 2.188 1.00 53.24 C ATOM 118 O ASP A 9 -2.238 -7.818 3.095 1.00 71.31 O ATOM 119 CB ASP A 9 -0.113 -6.903 1.583 1.00 22.11 C ATOM 120 CG ASP A 9 1.148 -7.366 2.286 1.00 30.50 C ATOM 121 OD1 ASP A 9 1.169 -8.518 2.769 1.00 22.12 O ATOM 122 OD2 ASP A 9 2.114 -6.578 2.352 1.00 12.12 O ATOM 0 H ASP A 9 -1.420 -8.078 -0.970 1.00 73.33 H new ATOM 0 HA ASP A 9 -0.302 -8.886 0.779 1.00 71.23 H new ATOM 0 HB2 ASP A 9 0.157 -6.262 0.744 1.00 22.11 H new ATOM 0 HB3 ASP A 9 -0.706 -6.298 2.268 1.00 22.11 H new ATOM 127 N LEU A 10 -2.254 -9.842 2.111 1.00 50.43 N ATOM 128 CA LEU A 10 -3.131 -10.442 3.110 1.00 24.23 C ATOM 129 C LEU A 10 -2.570 -11.775 3.596 1.00 4.34 C ATOM 130 O LEU A 10 -1.444 -12.144 3.264 1.00 73.50 O ATOM 131 CB LEU A 10 -4.532 -10.646 2.532 1.00 61.43 C ATOM 132 CG LEU A 10 -4.728 -11.897 1.674 1.00 50.23 C ATOM 133 CD1 LEU A 10 -5.477 -12.967 2.453 1.00 5.10 C ATOM 134 CD2 LEU A 10 -5.470 -11.552 0.390 1.00 23.04 C ATOM 0 H LEU A 10 -1.965 -10.477 1.367 1.00 50.43 H new ATOM 0 HA LEU A 10 -3.191 -9.762 3.960 1.00 24.23 H new ATOM 0 HB2 LEU A 10 -5.243 -10.681 3.358 1.00 61.43 H new ATOM 0 HB3 LEU A 10 -4.786 -9.773 1.930 1.00 61.43 H new ATOM 0 HG LEU A 10 -3.746 -12.290 1.409 1.00 50.23 H new ATOM 0 HD11 LEU A 10 -5.607 -13.849 1.826 1.00 5.10 H new ATOM 0 HD12 LEU A 10 -4.908 -13.235 3.343 1.00 5.10 H new ATOM 0 HD13 LEU A 10 -6.454 -12.585 2.749 1.00 5.10 H new ATOM 0 HD21 LEU A 10 -5.601 -12.454 -0.208 1.00 23.04 H new ATOM 0 HD22 LEU A 10 -6.447 -11.134 0.635 1.00 23.04 H new ATOM 0 HD23 LEU A 10 -4.895 -10.820 -0.177 1.00 23.04 H new ATOM 146 N GLY A 11 -3.364 -12.493 4.385 1.00 63.34 N ATOM 147 CA GLY A 11 -2.930 -13.778 4.902 1.00 41.11 C ATOM 148 C GLY A 11 -2.175 -14.593 3.871 1.00 63.01 C ATOM 149 O GLY A 11 -0.948 -14.523 3.789 1.00 22.25 O ATOM 0 H GLY A 11 -4.299 -12.208 4.675 1.00 63.34 H new ATOM 0 HA2 GLY A 11 -2.293 -13.620 5.772 1.00 41.11 H new ATOM 0 HA3 GLY A 11 -3.799 -14.342 5.241 1.00 41.11 H new ATOM 153 N THR A 12 -2.908 -15.371 3.081 1.00 71.02 N ATOM 154 CA THR A 12 -2.300 -16.205 2.052 1.00 33.40 C ATOM 155 C THR A 12 -1.532 -15.361 1.042 1.00 52.31 C ATOM 156 O THR A 12 -0.371 -15.639 0.739 1.00 32.51 O ATOM 157 CB THR A 12 -3.359 -17.040 1.307 1.00 53.51 C ATOM 158 OG1 THR A 12 -4.662 -16.756 1.828 1.00 13.35 O ATOM 159 CG2 THR A 12 -3.068 -18.527 1.439 1.00 43.35 C ATOM 0 H THR A 12 -3.924 -15.441 3.134 1.00 71.02 H new ATOM 0 HA THR A 12 -1.608 -16.878 2.559 1.00 33.40 H new ATOM 0 HB THR A 12 -3.324 -16.772 0.251 1.00 53.51 H new ATOM 0 HG1 THR A 12 -5.330 -17.289 1.348 1.00 13.35 H new ATOM 0 HG21 THR A 12 -3.829 -19.096 0.905 1.00 43.35 H new ATOM 0 HG22 THR A 12 -2.088 -18.745 1.015 1.00 43.35 H new ATOM 0 HG23 THR A 12 -3.078 -18.808 2.492 1.00 43.35 H new ATOM 167 N LEU A 13 -2.186 -14.327 0.523 1.00 31.05 N ATOM 168 CA LEU A 13 -1.564 -13.440 -0.453 1.00 42.12 C ATOM 169 C LEU A 13 -0.223 -12.922 0.058 1.00 70.42 C ATOM 170 O LEU A 13 0.611 -12.455 -0.719 1.00 23.51 O ATOM 171 CB LEU A 13 -2.491 -12.265 -0.767 1.00 41.54 C ATOM 172 CG LEU A 13 -2.199 -11.508 -2.064 1.00 13.54 C ATOM 173 CD1 LEU A 13 -3.423 -10.724 -2.511 1.00 15.10 C ATOM 174 CD2 LEU A 13 -1.007 -10.580 -1.883 1.00 3.23 C ATOM 0 H LEU A 13 -3.147 -14.083 0.762 1.00 31.05 H new ATOM 0 HA LEU A 13 -1.388 -14.010 -1.365 1.00 42.12 H new ATOM 0 HB2 LEU A 13 -3.515 -12.637 -0.809 1.00 41.54 H new ATOM 0 HB3 LEU A 13 -2.443 -11.558 0.062 1.00 41.54 H new ATOM 0 HG LEU A 13 -1.954 -12.234 -2.839 1.00 13.54 H new ATOM 0 HD11 LEU A 13 -3.197 -10.192 -3.435 1.00 15.10 H new ATOM 0 HD12 LEU A 13 -4.252 -11.410 -2.681 1.00 15.10 H new ATOM 0 HD13 LEU A 13 -3.698 -10.007 -1.738 1.00 15.10 H new ATOM 0 HD21 LEU A 13 -0.814 -10.050 -2.816 1.00 3.23 H new ATOM 0 HD22 LEU A 13 -1.223 -9.860 -1.094 1.00 3.23 H new ATOM 0 HD23 LEU A 13 -0.129 -11.165 -1.610 1.00 3.23 H new ATOM 186 N LEU A 14 -0.021 -13.010 1.368 1.00 75.11 N ATOM 187 CA LEU A 14 1.220 -12.553 1.983 1.00 14.34 C ATOM 188 C LEU A 14 2.426 -12.953 1.140 1.00 74.22 C ATOM 189 O LEU A 14 3.427 -12.239 1.092 1.00 64.14 O ATOM 190 CB LEU A 14 1.355 -13.129 3.394 1.00 62.43 C ATOM 191 CG LEU A 14 2.639 -12.774 4.144 1.00 44.34 C ATOM 192 CD1 LEU A 14 2.432 -11.533 4.998 1.00 22.15 C ATOM 193 CD2 LEU A 14 3.098 -13.944 5.001 1.00 33.23 C ATOM 0 H LEU A 14 -0.701 -13.394 2.025 1.00 75.11 H new ATOM 0 HA LEU A 14 1.188 -11.465 2.043 1.00 14.34 H new ATOM 0 HB2 LEU A 14 0.506 -12.788 3.987 1.00 62.43 H new ATOM 0 HB3 LEU A 14 1.284 -14.215 3.330 1.00 62.43 H new ATOM 0 HG LEU A 14 3.417 -12.560 3.412 1.00 44.34 H new ATOM 0 HD11 LEU A 14 3.356 -11.295 5.525 1.00 22.15 H new ATOM 0 HD12 LEU A 14 2.152 -10.695 4.360 1.00 22.15 H new ATOM 0 HD13 LEU A 14 1.639 -11.718 5.723 1.00 22.15 H new ATOM 0 HD21 LEU A 14 4.013 -13.673 5.527 1.00 33.23 H new ATOM 0 HD22 LEU A 14 2.322 -14.190 5.726 1.00 33.23 H new ATOM 0 HD23 LEU A 14 3.288 -14.808 4.365 1.00 33.23 H new ATOM 205 N PHE A 15 2.322 -14.099 0.474 1.00 15.33 N ATOM 206 CA PHE A 15 3.403 -14.594 -0.369 1.00 42.01 C ATOM 207 C PHE A 15 2.887 -15.631 -1.362 1.00 23.40 C ATOM 208 O PHE A 15 1.690 -15.913 -1.416 1.00 50.32 O ATOM 209 CB PHE A 15 4.512 -15.203 0.492 1.00 51.30 C ATOM 210 CG PHE A 15 5.324 -14.180 1.234 1.00 64.22 C ATOM 211 CD1 PHE A 15 6.114 -13.272 0.547 1.00 55.12 C ATOM 212 CD2 PHE A 15 5.299 -14.127 2.618 1.00 33.11 C ATOM 213 CE1 PHE A 15 6.863 -12.331 1.227 1.00 13.41 C ATOM 214 CE2 PHE A 15 6.046 -13.188 3.304 1.00 54.31 C ATOM 215 CZ PHE A 15 6.828 -12.288 2.607 1.00 12.42 C ATOM 0 H PHE A 15 1.500 -14.702 0.502 1.00 15.33 H new ATOM 0 HA PHE A 15 3.809 -13.751 -0.929 1.00 42.01 H new ATOM 0 HB2 PHE A 15 4.067 -15.892 1.210 1.00 51.30 H new ATOM 0 HB3 PHE A 15 5.175 -15.789 -0.144 1.00 51.30 H new ATOM 0 HD1 PHE A 15 6.145 -13.300 -0.532 1.00 55.12 H new ATOM 0 HD2 PHE A 15 4.688 -14.828 3.168 1.00 33.11 H new ATOM 0 HE1 PHE A 15 7.475 -11.630 0.680 1.00 13.41 H new ATOM 0 HE2 PHE A 15 6.018 -13.158 4.383 1.00 54.31 H new ATOM 0 HZ PHE A 15 7.411 -11.552 3.140 1.00 12.42 H new ATOM 225 N ARG A 16 3.800 -16.196 -2.146 1.00 32.30 N ATOM 226 CA ARG A 16 3.438 -17.201 -3.138 1.00 72.04 C ATOM 227 C ARG A 16 2.347 -16.678 -4.069 1.00 24.01 C ATOM 228 O ARG A 16 1.653 -17.453 -4.726 1.00 73.54 O ATOM 229 CB ARG A 16 2.964 -18.482 -2.449 1.00 51.12 C ATOM 230 CG ARG A 16 2.750 -19.644 -3.405 1.00 21.43 C ATOM 231 CD ARG A 16 2.612 -20.962 -2.657 1.00 40.45 C ATOM 232 NE ARG A 16 3.885 -21.671 -2.558 1.00 10.50 N ATOM 233 CZ ARG A 16 4.026 -22.848 -1.960 1.00 35.14 C ATOM 234 NH1 ARG A 16 2.977 -23.446 -1.411 1.00 1.24 N ATOM 235 NH2 ARG A 16 5.217 -23.430 -1.910 1.00 32.41 N ATOM 0 H ARG A 16 4.795 -15.975 -2.113 1.00 32.30 H new ATOM 0 HA ARG A 16 4.324 -17.423 -3.733 1.00 72.04 H new ATOM 0 HB2 ARG A 16 3.697 -18.772 -1.696 1.00 51.12 H new ATOM 0 HB3 ARG A 16 2.031 -18.278 -1.924 1.00 51.12 H new ATOM 0 HG2 ARG A 16 1.854 -19.467 -4.000 1.00 21.43 H new ATOM 0 HG3 ARG A 16 3.588 -19.704 -4.100 1.00 21.43 H new ATOM 0 HD2 ARG A 16 2.224 -20.772 -1.656 1.00 40.45 H new ATOM 0 HD3 ARG A 16 1.884 -21.593 -3.166 1.00 40.45 H new ATOM 0 HE ARG A 16 4.711 -21.238 -2.971 1.00 10.50 H new ATOM 0 HH11 ARG A 16 2.060 -23.002 -1.448 1.00 1.24 H new ATOM 0 HH12 ARG A 16 3.088 -24.350 -0.952 1.00 1.24 H new ATOM 0 HH21 ARG A 16 6.026 -22.973 -2.331 1.00 32.41 H new ATOM 0 HH22 ARG A 16 5.324 -24.334 -1.450 1.00 32.41 H new ATOM 249 N CYS A 17 2.202 -15.358 -4.119 1.00 25.11 N ATOM 250 CA CYS A 17 1.197 -14.730 -4.967 1.00 73.33 C ATOM 251 C CYS A 17 0.501 -15.767 -5.844 1.00 71.24 C ATOM 252 O CYS A 17 1.050 -16.210 -6.853 1.00 75.44 O ATOM 253 CB CYS A 17 1.839 -13.653 -5.844 1.00 32.22 C ATOM 254 SG CYS A 17 3.323 -14.212 -6.741 1.00 13.42 S ATOM 0 H CYS A 17 2.769 -14.702 -3.581 1.00 25.11 H new ATOM 0 HA CYS A 17 0.452 -14.266 -4.321 1.00 73.33 H new ATOM 0 HB2 CYS A 17 1.102 -13.301 -6.566 1.00 32.22 H new ATOM 0 HB3 CYS A 17 2.105 -12.801 -5.218 1.00 32.22 H new ATOM 259 N ARG A 18 -0.710 -16.149 -5.452 1.00 52.01 N ATOM 260 CA ARG A 18 -1.481 -17.134 -6.201 1.00 42.14 C ATOM 261 C ARG A 18 -1.674 -16.688 -7.648 1.00 4.53 C ATOM 262 O ARG A 18 -1.991 -17.496 -8.520 1.00 63.13 O ATOM 263 CB ARG A 18 -2.842 -17.358 -5.540 1.00 61.50 C ATOM 264 CG ARG A 18 -3.284 -16.207 -4.651 1.00 75.54 C ATOM 265 CD ARG A 18 -2.896 -16.443 -3.200 1.00 43.32 C ATOM 266 NE ARG A 18 -3.144 -17.820 -2.783 1.00 74.13 N ATOM 267 CZ ARG A 18 -2.481 -18.422 -1.803 1.00 31.25 C ATOM 268 NH1 ARG A 18 -1.534 -17.771 -1.141 1.00 72.30 N ATOM 269 NH2 ARG A 18 -2.765 -19.678 -1.481 1.00 41.03 N ATOM 0 H ARG A 18 -1.179 -15.791 -4.620 1.00 52.01 H new ATOM 0 HA ARG A 18 -0.925 -18.071 -6.199 1.00 42.14 H new ATOM 0 HB2 ARG A 18 -3.592 -17.516 -6.316 1.00 61.50 H new ATOM 0 HB3 ARG A 18 -2.802 -18.271 -4.945 1.00 61.50 H new ATOM 0 HG2 ARG A 18 -2.832 -15.280 -5.003 1.00 75.54 H new ATOM 0 HG3 ARG A 18 -4.364 -16.083 -4.724 1.00 75.54 H new ATOM 0 HD2 ARG A 18 -1.840 -16.208 -3.065 1.00 43.32 H new ATOM 0 HD3 ARG A 18 -3.458 -15.764 -2.560 1.00 43.32 H new ATOM 0 HE ARG A 18 -3.867 -18.349 -3.272 1.00 74.13 H new ATOM 0 HH11 ARG A 18 -1.314 -16.805 -1.384 1.00 72.30 H new ATOM 0 HH12 ARG A 18 -1.026 -18.236 -0.388 1.00 72.30 H new ATOM 0 HH21 ARG A 18 -3.493 -20.182 -1.987 1.00 41.03 H new ATOM 0 HH22 ARG A 18 -2.255 -20.139 -0.728 1.00 41.03 H new ATOM 283 N ARG A 19 -1.480 -15.396 -7.894 1.00 14.14 N ATOM 284 CA ARG A 19 -1.635 -14.842 -9.233 1.00 43.23 C ATOM 285 C ARG A 19 -1.576 -13.317 -9.201 1.00 61.32 C ATOM 286 O ARG A 19 -1.754 -12.701 -8.150 1.00 73.33 O ATOM 287 CB ARG A 19 -2.959 -15.299 -9.848 1.00 1.10 C ATOM 288 CG ARG A 19 -4.121 -15.289 -8.868 1.00 63.20 C ATOM 289 CD ARG A 19 -5.457 -15.208 -9.589 1.00 71.11 C ATOM 290 NE ARG A 19 -6.580 -15.153 -8.657 1.00 3.23 N ATOM 291 CZ ARG A 19 -7.851 -15.232 -9.032 1.00 55.01 C ATOM 292 NH1 ARG A 19 -8.160 -15.370 -10.314 1.00 53.41 N ATOM 293 NH2 ARG A 19 -8.817 -15.174 -8.124 1.00 74.01 N ATOM 0 H ARG A 19 -1.215 -14.714 -7.183 1.00 14.14 H new ATOM 0 HA ARG A 19 -0.812 -15.208 -9.847 1.00 43.23 H new ATOM 0 HB2 ARG A 19 -3.201 -14.652 -10.692 1.00 1.10 H new ATOM 0 HB3 ARG A 19 -2.837 -16.307 -10.244 1.00 1.10 H new ATOM 0 HG2 ARG A 19 -4.090 -16.191 -8.257 1.00 63.20 H new ATOM 0 HG3 ARG A 19 -4.020 -14.441 -8.191 1.00 63.20 H new ATOM 0 HD2 ARG A 19 -5.472 -14.324 -10.227 1.00 71.11 H new ATOM 0 HD3 ARG A 19 -5.570 -16.074 -10.242 1.00 71.11 H new ATOM 0 HE ARG A 19 -6.377 -15.048 -7.663 1.00 3.23 H new ATOM 0 HH11 ARG A 19 -7.420 -15.416 -11.015 1.00 53.41 H new ATOM 0 HH12 ARG A 19 -9.137 -15.430 -10.599 1.00 53.41 H new ATOM 0 HH21 ARG A 19 -8.583 -15.069 -7.137 1.00 74.01 H new ATOM 0 HH22 ARG A 19 -9.793 -15.235 -8.413 1.00 74.01 H new ATOM 307 N ASP A 20 -1.324 -12.716 -10.359 1.00 11.24 N ATOM 308 CA ASP A 20 -1.242 -11.264 -10.464 1.00 12.44 C ATOM 309 C ASP A 20 -2.454 -10.603 -9.814 1.00 41.41 C ATOM 310 O ASP A 20 -2.338 -9.549 -9.187 1.00 65.45 O ATOM 311 CB ASP A 20 -1.141 -10.842 -11.930 1.00 44.12 C ATOM 312 CG ASP A 20 -2.372 -11.223 -12.729 1.00 1.53 C ATOM 313 OD1 ASP A 20 -2.420 -12.362 -13.236 1.00 73.25 O ATOM 314 OD2 ASP A 20 -3.287 -10.380 -12.847 1.00 22.44 O ATOM 0 H ASP A 20 -1.173 -13.212 -11.238 1.00 11.24 H new ATOM 0 HA ASP A 20 -0.346 -10.937 -9.937 1.00 12.44 H new ATOM 0 HB2 ASP A 20 -0.995 -9.763 -11.985 1.00 44.12 H new ATOM 0 HB3 ASP A 20 -0.262 -11.306 -12.379 1.00 44.12 H new ATOM 319 N SER A 21 -3.617 -11.228 -9.969 1.00 43.42 N ATOM 320 CA SER A 21 -4.851 -10.697 -9.402 1.00 71.51 C ATOM 321 C SER A 21 -4.666 -10.349 -7.928 1.00 72.23 C ATOM 322 O SER A 21 -5.377 -9.503 -7.385 1.00 71.50 O ATOM 323 CB SER A 21 -5.986 -11.711 -9.560 1.00 32.12 C ATOM 324 OG SER A 21 -6.248 -11.975 -10.927 1.00 62.23 O ATOM 0 H SER A 21 -3.730 -12.102 -10.482 1.00 43.42 H new ATOM 0 HA SER A 21 -5.108 -9.786 -9.942 1.00 71.51 H new ATOM 0 HB2 SER A 21 -5.723 -12.638 -9.051 1.00 32.12 H new ATOM 0 HB3 SER A 21 -6.888 -11.330 -9.081 1.00 32.12 H new ATOM 0 HG SER A 21 -6.976 -12.627 -11.001 1.00 62.23 H new ATOM 330 N ASP A 22 -3.707 -11.007 -7.287 1.00 63.35 N ATOM 331 CA ASP A 22 -3.426 -10.768 -5.877 1.00 11.24 C ATOM 332 C ASP A 22 -3.354 -9.272 -5.583 1.00 75.51 C ATOM 333 O ASP A 22 -3.955 -8.788 -4.624 1.00 12.24 O ATOM 334 CB ASP A 22 -2.114 -11.443 -5.474 1.00 10.32 C ATOM 335 CG ASP A 22 -2.236 -12.952 -5.409 1.00 23.43 C ATOM 336 OD1 ASP A 22 -2.976 -13.524 -6.236 1.00 42.33 O ATOM 337 OD2 ASP A 22 -1.591 -13.563 -4.530 1.00 14.43 O ATOM 0 H ASP A 22 -3.111 -11.711 -7.722 1.00 63.35 H new ATOM 0 HA ASP A 22 -4.240 -11.196 -5.292 1.00 11.24 H new ATOM 0 HB2 ASP A 22 -1.336 -11.175 -6.189 1.00 10.32 H new ATOM 0 HB3 ASP A 22 -1.798 -11.065 -4.502 1.00 10.32 H new ATOM 342 N CYS A 23 -2.615 -8.546 -6.415 1.00 30.33 N ATOM 343 CA CYS A 23 -2.463 -7.106 -6.244 1.00 63.45 C ATOM 344 C CYS A 23 -3.198 -6.348 -7.345 1.00 53.34 C ATOM 345 O CYS A 23 -2.807 -6.363 -8.513 1.00 20.44 O ATOM 346 CB CYS A 23 -0.981 -6.725 -6.250 1.00 30.14 C ATOM 347 SG CYS A 23 -0.227 -6.650 -4.593 1.00 41.41 S ATOM 0 H CYS A 23 -2.112 -8.931 -7.214 1.00 30.33 H new ATOM 0 HA CYS A 23 -2.899 -6.831 -5.284 1.00 63.45 H new ATOM 0 HB2 CYS A 23 -0.433 -7.448 -6.855 1.00 30.14 H new ATOM 0 HB3 CYS A 23 -0.868 -5.755 -6.733 1.00 30.14 H new ATOM 352 N PRO A 24 -4.290 -5.667 -6.967 1.00 11.24 N ATOM 353 CA PRO A 24 -5.103 -4.889 -7.906 1.00 11.41 C ATOM 354 C PRO A 24 -4.379 -3.643 -8.405 1.00 12.32 C ATOM 355 O PRO A 24 -4.476 -3.285 -9.578 1.00 1.31 O ATOM 356 CB PRO A 24 -6.328 -4.499 -7.076 1.00 15.44 C ATOM 357 CG PRO A 24 -5.851 -4.517 -5.664 1.00 75.14 C ATOM 358 CD PRO A 24 -4.815 -5.604 -5.592 1.00 44.31 C ATOM 0 HA PRO A 24 -5.343 -5.457 -8.805 1.00 11.41 H new ATOM 0 HB2 PRO A 24 -6.698 -3.513 -7.356 1.00 15.44 H new ATOM 0 HB3 PRO A 24 -7.148 -5.202 -7.226 1.00 15.44 H new ATOM 0 HG2 PRO A 24 -5.426 -3.553 -5.383 1.00 75.14 H new ATOM 0 HG3 PRO A 24 -6.673 -4.715 -4.977 1.00 75.14 H new ATOM 0 HD2 PRO A 24 -4.031 -5.365 -4.873 1.00 44.31 H new ATOM 0 HD3 PRO A 24 -5.251 -6.555 -5.284 1.00 44.31 H new ATOM 366 N GLY A 25 -3.653 -2.985 -7.506 1.00 21.54 N ATOM 367 CA GLY A 25 -2.923 -1.787 -7.874 1.00 40.33 C ATOM 368 C GLY A 25 -1.782 -2.074 -8.830 1.00 50.51 C ATOM 369 O GLY A 25 -1.901 -2.923 -9.712 1.00 72.32 O ATOM 0 H GLY A 25 -3.558 -3.261 -6.529 1.00 21.54 H new ATOM 0 HA2 GLY A 25 -3.608 -1.075 -8.334 1.00 40.33 H new ATOM 0 HA3 GLY A 25 -2.529 -1.315 -6.974 1.00 40.33 H new ATOM 373 N ALA A 26 -0.673 -1.362 -8.656 1.00 52.21 N ATOM 374 CA ALA A 26 0.494 -1.545 -9.510 1.00 52.31 C ATOM 375 C ALA A 26 1.165 -2.887 -9.242 1.00 61.42 C ATOM 376 O ALA A 26 1.392 -3.674 -10.162 1.00 20.21 O ATOM 377 CB ALA A 26 1.483 -0.407 -9.303 1.00 31.22 C ATOM 0 H ALA A 26 -0.559 -0.653 -7.931 1.00 52.21 H new ATOM 0 HA ALA A 26 0.159 -1.537 -10.547 1.00 52.31 H new ATOM 0 HB1 ALA A 26 2.350 -0.556 -9.947 1.00 31.22 H new ATOM 0 HB2 ALA A 26 1.005 0.540 -9.552 1.00 31.22 H new ATOM 0 HB3 ALA A 26 1.804 -0.389 -8.261 1.00 31.22 H new ATOM 383 N CYS A 27 1.482 -3.144 -7.977 1.00 54.53 N ATOM 384 CA CYS A 27 2.128 -4.391 -7.588 1.00 3.43 C ATOM 385 C CYS A 27 1.518 -5.575 -8.331 1.00 61.24 C ATOM 386 O CYS A 27 0.353 -5.538 -8.729 1.00 63.02 O ATOM 387 CB CYS A 27 2.004 -4.604 -6.078 1.00 4.32 C ATOM 388 SG CYS A 27 0.488 -3.904 -5.350 1.00 3.41 S ATOM 0 H CYS A 27 1.301 -2.504 -7.204 1.00 54.53 H new ATOM 0 HA CYS A 27 3.183 -4.323 -7.854 1.00 3.43 H new ATOM 0 HB2 CYS A 27 2.034 -5.673 -5.869 1.00 4.32 H new ATOM 0 HB3 CYS A 27 2.869 -4.159 -5.587 1.00 4.32 H new ATOM 393 N ILE A 28 2.313 -6.624 -8.515 1.00 34.31 N ATOM 394 CA ILE A 28 1.851 -7.820 -9.209 1.00 54.20 C ATOM 395 C ILE A 28 2.626 -9.052 -8.757 1.00 23.31 C ATOM 396 O ILE A 28 3.680 -8.941 -8.129 1.00 51.24 O ATOM 397 CB ILE A 28 1.987 -7.672 -10.736 1.00 24.50 C ATOM 398 CG1 ILE A 28 3.372 -7.131 -11.096 1.00 4.01 C ATOM 399 CG2 ILE A 28 0.898 -6.760 -11.280 1.00 2.03 C ATOM 400 CD1 ILE A 28 3.538 -6.825 -12.568 1.00 72.21 C ATOM 0 H ILE A 28 3.280 -6.670 -8.193 1.00 34.31 H new ATOM 0 HA ILE A 28 0.798 -7.945 -8.957 1.00 54.20 H new ATOM 0 HB ILE A 28 1.871 -8.655 -11.193 1.00 24.50 H new ATOM 0 HG12 ILE A 28 3.559 -6.224 -10.521 1.00 4.01 H new ATOM 0 HG13 ILE A 28 4.126 -7.859 -10.797 1.00 4.01 H new ATOM 0 HG21 ILE A 28 1.008 -6.666 -12.360 1.00 2.03 H new ATOM 0 HG22 ILE A 28 -0.080 -7.184 -11.051 1.00 2.03 H new ATOM 0 HG23 ILE A 28 0.984 -5.776 -10.819 1.00 2.03 H new ATOM 0 HD11 ILE A 28 4.544 -6.446 -12.750 1.00 72.21 H new ATOM 0 HD12 ILE A 28 3.383 -7.734 -13.148 1.00 72.21 H new ATOM 0 HD13 ILE A 28 2.807 -6.074 -12.868 1.00 72.21 H new ATOM 412 N CYS A 29 2.099 -10.228 -9.081 1.00 63.24 N ATOM 413 CA CYS A 29 2.742 -11.483 -8.711 1.00 32.23 C ATOM 414 C CYS A 29 3.988 -11.727 -9.557 1.00 20.11 C ATOM 415 O CYS A 29 3.948 -11.624 -10.783 1.00 42.21 O ATOM 416 CB CYS A 29 1.764 -12.649 -8.875 1.00 4.22 C ATOM 417 SG CYS A 29 2.552 -14.291 -8.835 1.00 1.12 S ATOM 0 H CYS A 29 1.228 -10.338 -9.600 1.00 63.24 H new ATOM 0 HA CYS A 29 3.043 -11.414 -7.666 1.00 32.23 H new ATOM 0 HB2 CYS A 29 1.017 -12.597 -8.083 1.00 4.22 H new ATOM 0 HB3 CYS A 29 1.234 -12.535 -9.821 1.00 4.22 H new ATOM 422 N ARG A 30 5.093 -12.051 -8.893 1.00 71.34 N ATOM 423 CA ARG A 30 6.351 -12.309 -9.584 1.00 31.02 C ATOM 424 C ARG A 30 7.122 -13.438 -8.906 1.00 0.44 C ATOM 425 O ARG A 30 6.688 -13.975 -7.887 1.00 64.15 O ATOM 426 CB ARG A 30 7.207 -11.042 -9.619 1.00 52.52 C ATOM 427 CG ARG A 30 7.589 -10.526 -8.241 1.00 64.34 C ATOM 428 CD ARG A 30 6.566 -9.532 -7.715 1.00 24.15 C ATOM 429 NE ARG A 30 6.389 -8.399 -8.618 1.00 53.24 N ATOM 430 CZ ARG A 30 7.308 -7.459 -8.808 1.00 11.20 C ATOM 431 NH1 ARG A 30 8.463 -7.517 -8.160 1.00 44.34 N ATOM 432 NH2 ARG A 30 7.072 -6.458 -9.647 1.00 63.43 N ATOM 0 H ARG A 30 5.143 -12.141 -7.878 1.00 71.34 H new ATOM 0 HA ARG A 30 6.120 -12.612 -10.605 1.00 31.02 H new ATOM 0 HB2 ARG A 30 8.115 -11.243 -10.187 1.00 52.52 H new ATOM 0 HB3 ARG A 30 6.664 -10.262 -10.152 1.00 52.52 H new ATOM 0 HG2 ARG A 30 7.674 -11.363 -7.548 1.00 64.34 H new ATOM 0 HG3 ARG A 30 8.569 -10.051 -8.288 1.00 64.34 H new ATOM 0 HD2 ARG A 30 5.610 -10.036 -7.574 1.00 24.15 H new ATOM 0 HD3 ARG A 30 6.882 -9.170 -6.737 1.00 24.15 H new ATOM 0 HE ARG A 30 5.511 -8.325 -9.132 1.00 53.24 H new ATOM 0 HH11 ARG A 30 8.647 -8.285 -7.514 1.00 44.34 H new ATOM 0 HH12 ARG A 30 9.167 -6.794 -8.307 1.00 44.34 H new ATOM 0 HH21 ARG A 30 6.184 -6.410 -10.147 1.00 63.43 H new ATOM 0 HH22 ARG A 30 7.779 -5.737 -9.792 1.00 63.43 H new ATOM 446 N GLY A 31 8.268 -13.792 -9.478 1.00 45.04 N ATOM 447 CA GLY A 31 9.081 -14.855 -8.916 1.00 42.23 C ATOM 448 C GLY A 31 9.487 -14.578 -7.482 1.00 50.43 C ATOM 449 O GLY A 31 9.887 -15.487 -6.757 1.00 2.02 O ATOM 0 H GLY A 31 8.648 -13.362 -10.321 1.00 45.04 H new ATOM 0 HA2 GLY A 31 8.527 -15.793 -8.959 1.00 42.23 H new ATOM 0 HA3 GLY A 31 9.976 -14.985 -9.525 1.00 42.23 H new ATOM 453 N ASN A 32 9.385 -13.317 -7.073 1.00 62.22 N ATOM 454 CA ASN A 32 9.747 -12.922 -5.717 1.00 21.33 C ATOM 455 C ASN A 32 8.918 -13.686 -4.688 1.00 63.14 C ATOM 456 O ASN A 32 9.200 -13.642 -3.492 1.00 2.23 O ATOM 457 CB ASN A 32 9.549 -11.417 -5.531 1.00 54.45 C ATOM 458 CG ASN A 32 8.309 -11.092 -4.721 1.00 34.31 C ATOM 459 OD1 ASN A 32 7.244 -10.822 -5.276 1.00 53.21 O ATOM 460 ND2 ASN A 32 8.442 -11.118 -3.400 1.00 1.21 N ATOM 0 H ASN A 32 9.055 -12.552 -7.661 1.00 62.22 H new ATOM 0 HA ASN A 32 10.798 -13.165 -5.564 1.00 21.33 H new ATOM 0 HB2 ASN A 32 10.424 -10.997 -5.035 1.00 54.45 H new ATOM 0 HB3 ASN A 32 9.477 -10.939 -6.508 1.00 54.45 H new ATOM 0 HD21 ASN A 32 7.642 -10.909 -2.803 1.00 1.21 H new ATOM 0 HD22 ASN A 32 9.344 -11.347 -2.983 1.00 1.21 H new ATOM 467 N GLY A 33 7.894 -14.388 -5.165 1.00 0.53 N ATOM 468 CA GLY A 33 7.040 -15.152 -4.274 1.00 42.41 C ATOM 469 C GLY A 33 5.994 -14.291 -3.595 1.00 34.25 C ATOM 470 O GLY A 33 5.673 -14.500 -2.424 1.00 50.32 O ATOM 0 H GLY A 33 7.641 -14.441 -6.152 1.00 0.53 H new ATOM 0 HA2 GLY A 33 6.545 -15.942 -4.839 1.00 42.41 H new ATOM 0 HA3 GLY A 33 7.654 -15.639 -3.516 1.00 42.41 H new ATOM 474 N TYR A 34 5.461 -13.321 -4.328 1.00 53.43 N ATOM 475 CA TYR A 34 4.447 -12.423 -3.788 1.00 1.50 C ATOM 476 C TYR A 34 4.054 -11.364 -4.814 1.00 70.32 C ATOM 477 O TYR A 34 4.768 -11.134 -5.791 1.00 12.32 O ATOM 478 CB TYR A 34 4.960 -11.748 -2.514 1.00 71.24 C ATOM 479 CG TYR A 34 4.058 -10.645 -2.008 1.00 44.24 C ATOM 480 CD1 TYR A 34 2.886 -10.938 -1.323 1.00 2.14 C ATOM 481 CD2 TYR A 34 4.380 -9.309 -2.215 1.00 54.24 C ATOM 482 CE1 TYR A 34 2.059 -9.933 -0.859 1.00 44.13 C ATOM 483 CE2 TYR A 34 3.559 -8.297 -1.754 1.00 65.24 C ATOM 484 CZ TYR A 34 2.400 -8.614 -1.077 1.00 63.34 C ATOM 485 OH TYR A 34 1.580 -7.610 -0.616 1.00 61.33 O ATOM 0 H TYR A 34 5.714 -13.136 -5.299 1.00 53.43 H new ATOM 0 HA TYR A 34 3.564 -13.016 -3.548 1.00 1.50 H new ATOM 0 HB2 TYR A 34 5.072 -12.501 -1.734 1.00 71.24 H new ATOM 0 HB3 TYR A 34 5.951 -11.337 -2.705 1.00 71.24 H new ATOM 0 HD1 TYR A 34 2.616 -11.969 -1.150 1.00 2.14 H new ATOM 0 HD2 TYR A 34 5.287 -9.057 -2.745 1.00 54.24 H new ATOM 0 HE1 TYR A 34 1.151 -10.179 -0.329 1.00 44.13 H new ATOM 0 HE2 TYR A 34 3.824 -7.264 -1.923 1.00 65.24 H new ATOM 0 HH TYR A 34 0.943 -7.360 -1.318 1.00 61.33 H new ATOM 495 N CYS A 35 2.913 -10.723 -4.585 1.00 40.33 N ATOM 496 CA CYS A 35 2.422 -9.688 -5.488 1.00 24.31 C ATOM 497 C CYS A 35 3.232 -8.404 -5.334 1.00 53.31 C ATOM 498 O CYS A 35 2.714 -7.381 -4.887 1.00 60.12 O ATOM 499 CB CYS A 35 0.943 -9.407 -5.219 1.00 32.22 C ATOM 500 SG CYS A 35 0.637 -8.373 -3.750 1.00 64.15 S ATOM 0 H CYS A 35 2.311 -10.902 -3.782 1.00 40.33 H new ATOM 0 HA CYS A 35 2.536 -10.048 -6.510 1.00 24.31 H new ATOM 0 HB2 CYS A 35 0.513 -8.916 -6.092 1.00 32.22 H new ATOM 0 HB3 CYS A 35 0.420 -10.356 -5.098 1.00 32.22 H new ATOM 505 N GLY A 36 4.506 -8.465 -5.708 1.00 61.14 N ATOM 506 CA GLY A 36 5.367 -7.301 -5.605 1.00 34.12 C ATOM 507 C GLY A 36 4.909 -6.161 -6.493 1.00 64.21 C ATOM 508 O GLY A 36 4.927 -6.275 -7.719 1.00 4.14 O ATOM 0 H GLY A 36 4.958 -9.300 -6.081 1.00 61.14 H new ATOM 0 HA2 GLY A 36 5.393 -6.963 -4.569 1.00 34.12 H new ATOM 0 HA3 GLY A 36 6.385 -7.581 -5.875 1.00 34.12 H new