USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 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 12 TYR OH : rot 150:sc= -0.529 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -70:sc= 0.226 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 21 TYR OH : rot -41:sc= 0.978 USER MOD Single : A 23 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.0099) USER MOD Single : A 26 MET CE :methyl 170:sc= 0 (180deg=-0.0674) USER MOD Single : A 35 THR OG1 : rot 148:sc= -3.42 USER MOD Single : A 48 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.98) USER MOD Single : A 54 THR OG1 : rot 47:sc= 0.701 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -162:sc= 1.23 USER MOD Single : A 74 THR OG1 : rot -44:sc= -5.23! USER MOD Single : A 79 THR OG1 : rot 17:sc= 1.13 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -1.67 F(o=-2.6,f=-1.7) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.411 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 11 0.522 -0.256 -0.333 1.00 52.52 N ATOM 2 CA ASP A 11 1.102 -0.115 -1.664 1.00 24.44 C ATOM 3 C ASP A 11 1.486 -1.477 -2.235 1.00 53.34 C ATOM 4 O ASP A 11 1.853 -1.589 -3.405 1.00 41.22 O ATOM 5 CB ASP A 11 2.330 0.795 -1.614 1.00 65.11 C ATOM 6 CG ASP A 11 2.969 0.980 -2.977 1.00 0.45 C ATOM 7 OD1 ASP A 11 3.847 0.168 -3.336 1.00 50.12 O ATOM 8 OD2 ASP A 11 2.590 1.937 -3.683 1.00 42.35 O ATOM 0 HA ASP A 11 0.352 0.335 -2.315 1.00 24.44 H new ATOM 0 HB2 ASP A 11 2.042 1.768 -1.216 1.00 65.11 H new ATOM 0 HB3 ASP A 11 3.063 0.374 -0.926 1.00 65.11 H new ATOM 13 N TYR A 12 1.398 -2.508 -1.403 1.00 25.02 N ATOM 14 CA TYR A 12 1.740 -3.862 -1.824 1.00 55.53 C ATOM 15 C TYR A 12 0.772 -4.359 -2.894 1.00 62.00 C ATOM 16 O TYR A 12 1.184 -4.746 -3.988 1.00 11.21 O ATOM 17 CB TYR A 12 1.723 -4.811 -0.625 1.00 45.11 C ATOM 18 CG TYR A 12 2.788 -4.504 0.404 1.00 31.51 C ATOM 19 CD1 TYR A 12 4.132 -4.724 0.129 1.00 60.45 C ATOM 20 CD2 TYR A 12 2.450 -3.996 1.652 1.00 31.11 C ATOM 21 CE1 TYR A 12 5.108 -4.447 1.066 1.00 41.41 C ATOM 22 CE2 TYR A 12 3.419 -3.714 2.595 1.00 42.01 C ATOM 23 CZ TYR A 12 4.747 -3.941 2.297 1.00 32.13 C ATOM 24 OH TYR A 12 5.715 -3.663 3.234 1.00 3.34 O ATOM 0 H TYR A 12 1.093 -2.433 -0.433 1.00 25.02 H new ATOM 0 HA TYR A 12 2.744 -3.842 -2.248 1.00 55.53 H new ATOM 0 HB2 TYR A 12 0.744 -4.763 -0.148 1.00 45.11 H new ATOM 0 HB3 TYR A 12 1.855 -5.833 -0.979 1.00 45.11 H new ATOM 0 HD1 TYR A 12 4.419 -5.119 -0.835 1.00 60.45 H new ATOM 0 HD2 TYR A 12 1.411 -3.818 1.889 1.00 31.11 H new ATOM 0 HE1 TYR A 12 6.148 -4.626 0.836 1.00 41.41 H new ATOM 0 HE2 TYR A 12 3.139 -3.318 3.560 1.00 42.01 H new ATOM 0 HH TYR A 12 5.417 -2.922 3.802 1.00 3.34 H new ATOM 34 N ASP A 13 -0.516 -4.345 -2.570 1.00 20.23 N ATOM 35 CA ASP A 13 -1.544 -4.793 -3.502 1.00 50.11 C ATOM 36 C ASP A 13 -1.612 -3.875 -4.718 1.00 43.43 C ATOM 37 O ASP A 13 -0.660 -3.787 -5.495 1.00 54.43 O ATOM 38 CB ASP A 13 -2.906 -4.842 -2.808 1.00 10.41 C ATOM 39 CG ASP A 13 -3.964 -5.520 -3.656 1.00 11.03 C ATOM 40 OD1 ASP A 13 -3.652 -6.558 -4.276 1.00 61.12 O ATOM 41 OD2 ASP A 13 -5.104 -5.013 -3.698 1.00 35.40 O ATOM 0 H ASP A 13 -0.873 -4.028 -1.669 1.00 20.23 H new ATOM 0 HA ASP A 13 -1.281 -5.795 -3.840 1.00 50.11 H new ATOM 0 HB2 ASP A 13 -2.809 -5.372 -1.861 1.00 10.41 H new ATOM 0 HB3 ASP A 13 -3.228 -3.827 -2.574 1.00 10.41 H new ATOM 46 N ILE A 14 -2.742 -3.194 -4.877 1.00 63.03 N ATOM 47 CA ILE A 14 -2.933 -2.283 -5.999 1.00 2.12 C ATOM 48 C ILE A 14 -2.709 -0.835 -5.575 1.00 75.12 C ATOM 49 O ILE A 14 -3.513 -0.242 -4.855 1.00 41.13 O ATOM 50 CB ILE A 14 -4.344 -2.418 -6.600 1.00 33.22 C ATOM 51 CG1 ILE A 14 -4.470 -3.733 -7.372 1.00 22.32 C ATOM 52 CG2 ILE A 14 -4.650 -1.235 -7.506 1.00 1.32 C ATOM 53 CD1 ILE A 14 -3.743 -3.727 -8.698 1.00 64.12 C ATOM 0 H ILE A 14 -3.539 -3.256 -4.243 1.00 63.03 H new ATOM 0 HA ILE A 14 -2.198 -2.556 -6.756 1.00 2.12 H new ATOM 0 HB ILE A 14 -5.069 -2.425 -5.787 1.00 33.22 H new ATOM 0 HG12 ILE A 14 -4.081 -4.545 -6.757 1.00 22.32 H new ATOM 0 HG13 ILE A 14 -5.525 -3.943 -7.546 1.00 22.32 H new ATOM 0 HG21 ILE A 14 -5.651 -1.345 -7.923 1.00 1.32 H new ATOM 0 HG22 ILE A 14 -4.597 -0.312 -6.929 1.00 1.32 H new ATOM 0 HG23 ILE A 14 -3.921 -1.199 -8.316 1.00 1.32 H new ATOM 0 HD11 ILE A 14 -3.876 -4.691 -9.190 1.00 64.12 H new ATOM 0 HD12 ILE A 14 -4.148 -2.938 -9.331 1.00 64.12 H new ATOM 0 HD13 ILE A 14 -2.681 -3.549 -8.530 1.00 64.12 H new ATOM 65 N PRO A 15 -1.593 -0.250 -6.033 1.00 25.30 N ATOM 66 CA PRO A 15 -1.238 1.136 -5.716 1.00 52.42 C ATOM 67 C PRO A 15 -2.161 2.141 -6.398 1.00 61.22 C ATOM 68 O PRO A 15 -1.793 3.298 -6.603 1.00 54.24 O ATOM 69 CB PRO A 15 0.189 1.270 -6.254 1.00 74.35 C ATOM 70 CG PRO A 15 0.284 0.245 -7.332 1.00 42.50 C ATOM 71 CD PRO A 15 -0.590 -0.898 -6.896 1.00 1.45 C ATOM 0 HA PRO A 15 -1.327 1.346 -4.650 1.00 52.42 H new ATOM 0 HB2 PRO A 15 0.373 2.272 -6.642 1.00 74.35 H new ATOM 0 HB3 PRO A 15 0.926 1.091 -5.471 1.00 74.35 H new ATOM 0 HG2 PRO A 15 -0.052 0.651 -8.286 1.00 42.50 H new ATOM 0 HG3 PRO A 15 1.315 -0.082 -7.469 1.00 42.50 H new ATOM 0 HD2 PRO A 15 -1.054 -1.397 -7.747 1.00 1.45 H new ATOM 0 HD3 PRO A 15 -0.022 -1.654 -6.354 1.00 1.45 H new ATOM 79 N THR A 16 -3.362 1.691 -6.748 1.00 13.41 N ATOM 80 CA THR A 16 -4.337 2.550 -7.407 1.00 54.55 C ATOM 81 C THR A 16 -5.700 2.455 -6.731 1.00 53.43 C ATOM 82 O THR A 16 -6.725 2.793 -7.325 1.00 10.41 O ATOM 83 CB THR A 16 -4.489 2.188 -8.897 1.00 35.53 C ATOM 84 OG1 THR A 16 -3.208 1.889 -9.462 1.00 1.34 O ATOM 85 CG2 THR A 16 -5.136 3.328 -9.668 1.00 74.23 C ATOM 0 H THR A 16 -3.682 0.736 -6.586 1.00 13.41 H new ATOM 0 HA THR A 16 -3.964 3.571 -7.325 1.00 54.55 H new ATOM 0 HB THR A 16 -5.131 1.311 -8.971 1.00 35.53 H new ATOM 0 HG1 THR A 16 -3.314 1.658 -10.409 1.00 1.34 H new ATOM 0 HG21 THR A 16 -5.233 3.049 -10.717 1.00 74.23 H new ATOM 0 HG22 THR A 16 -6.124 3.533 -9.254 1.00 74.23 H new ATOM 0 HG23 THR A 16 -4.516 4.221 -9.586 1.00 74.23 H new ATOM 93 N THR A 17 -5.706 1.994 -5.485 1.00 34.44 N ATOM 94 CA THR A 17 -6.944 1.854 -4.727 1.00 62.34 C ATOM 95 C THR A 17 -7.440 3.207 -4.231 1.00 35.42 C ATOM 96 O THR A 17 -6.976 4.252 -4.683 1.00 42.23 O ATOM 97 CB THR A 17 -6.761 0.912 -3.522 1.00 14.42 C ATOM 98 OG1 THR A 17 -5.371 0.631 -3.326 1.00 51.00 O ATOM 99 CG2 THR A 17 -7.523 -0.388 -3.730 1.00 43.14 C ATOM 0 H THR A 17 -4.867 1.711 -4.978 1.00 34.44 H new ATOM 0 HA THR A 17 -7.683 1.426 -5.404 1.00 62.34 H new ATOM 0 HB THR A 17 -7.158 1.409 -2.637 1.00 14.42 H new ATOM 0 HG1 THR A 17 -5.047 0.061 -4.054 1.00 51.00 H new ATOM 0 HG21 THR A 17 -7.378 -1.037 -2.866 1.00 43.14 H new ATOM 0 HG22 THR A 17 -8.585 -0.172 -3.848 1.00 43.14 H new ATOM 0 HG23 THR A 17 -7.152 -0.888 -4.625 1.00 43.14 H new ATOM 107 N GLU A 18 -8.387 3.178 -3.297 1.00 44.33 N ATOM 108 CA GLU A 18 -8.946 4.404 -2.740 1.00 3.31 C ATOM 109 C GLU A 18 -7.865 5.228 -2.045 1.00 52.45 C ATOM 110 O GLU A 18 -7.040 5.866 -2.699 1.00 32.33 O ATOM 111 CB GLU A 18 -10.067 4.077 -1.751 1.00 63.44 C ATOM 112 CG GLU A 18 -11.368 3.669 -2.421 1.00 34.33 C ATOM 113 CD GLU A 18 -12.589 4.064 -1.612 1.00 41.34 C ATOM 114 OE1 GLU A 18 -12.417 4.502 -0.455 1.00 71.52 O ATOM 115 OE2 GLU A 18 -13.715 3.937 -2.136 1.00 71.34 O ATOM 0 H GLU A 18 -8.782 2.320 -2.911 1.00 44.33 H new ATOM 0 HA GLU A 18 -9.356 4.992 -3.561 1.00 3.31 H new ATOM 0 HB2 GLU A 18 -9.738 3.272 -1.095 1.00 63.44 H new ATOM 0 HB3 GLU A 18 -10.250 4.947 -1.121 1.00 63.44 H new ATOM 0 HG2 GLU A 18 -11.425 4.130 -3.407 1.00 34.33 H new ATOM 0 HG3 GLU A 18 -11.371 2.590 -2.573 1.00 34.33 H new ATOM 122 N ASN A 19 -7.878 5.210 -0.717 1.00 10.34 N ATOM 123 CA ASN A 19 -6.900 5.956 0.067 1.00 15.44 C ATOM 124 C ASN A 19 -5.745 5.056 0.495 1.00 12.54 C ATOM 125 O ASN A 19 -4.893 5.457 1.289 1.00 21.04 O ATOM 126 CB ASN A 19 -7.566 6.571 1.300 1.00 15.21 C ATOM 127 CG ASN A 19 -7.692 8.079 1.198 1.00 41.01 C ATOM 128 OD1 ASN A 19 -8.216 8.604 0.215 1.00 2.35 O ATOM 129 ND2 ASN A 19 -7.210 8.783 2.216 1.00 61.04 N ATOM 0 H ASN A 19 -8.555 4.687 -0.161 1.00 10.34 H new ATOM 0 HA ASN A 19 -6.502 6.754 -0.559 1.00 15.44 H new ATOM 0 HB2 ASN A 19 -8.556 6.134 1.430 1.00 15.21 H new ATOM 0 HB3 ASN A 19 -6.986 6.317 2.187 1.00 15.21 H new ATOM 0 HD21 ASN A 19 -7.266 9.801 2.204 1.00 61.04 H new ATOM 0 HD22 ASN A 19 -6.784 8.305 3.010 1.00 61.04 H new ATOM 136 N LEU A 20 -5.723 3.839 -0.036 1.00 43.31 N ATOM 137 CA LEU A 20 -4.672 2.881 0.290 1.00 44.53 C ATOM 138 C LEU A 20 -3.317 3.368 -0.214 1.00 65.33 C ATOM 139 O LEU A 20 -2.272 2.865 0.200 1.00 2.25 O ATOM 140 CB LEU A 20 -4.994 1.515 -0.317 1.00 62.22 C ATOM 141 CG LEU A 20 -6.145 0.747 0.332 1.00 34.42 C ATOM 142 CD1 LEU A 20 -7.175 1.710 0.902 1.00 32.31 C ATOM 143 CD2 LEU A 20 -6.792 -0.195 -0.673 1.00 32.20 C ATOM 0 H LEU A 20 -6.421 3.492 -0.694 1.00 43.31 H new ATOM 0 HA LEU A 20 -4.623 2.787 1.375 1.00 44.53 H new ATOM 0 HB2 LEU A 20 -5.226 1.655 -1.373 1.00 62.22 H new ATOM 0 HB3 LEU A 20 -4.097 0.897 -0.267 1.00 62.22 H new ATOM 0 HG LEU A 20 -5.742 0.151 1.151 1.00 34.42 H new ATOM 0 HD11 LEU A 20 -7.987 1.145 1.360 1.00 32.31 H new ATOM 0 HD12 LEU A 20 -6.704 2.343 1.654 1.00 32.31 H new ATOM 0 HD13 LEU A 20 -7.573 2.333 0.101 1.00 32.31 H new ATOM 0 HD21 LEU A 20 -7.609 -0.733 -0.193 1.00 32.20 H new ATOM 0 HD22 LEU A 20 -7.180 0.380 -1.513 1.00 32.20 H new ATOM 0 HD23 LEU A 20 -6.050 -0.908 -1.033 1.00 32.20 H new ATOM 155 N TYR A 21 -3.342 4.349 -1.109 1.00 5.21 N ATOM 156 CA TYR A 21 -2.115 4.904 -1.670 1.00 31.33 C ATOM 157 C TYR A 21 -1.705 6.175 -0.932 1.00 62.33 C ATOM 158 O TYR A 21 -0.738 6.839 -1.306 1.00 52.15 O ATOM 159 CB TYR A 21 -2.299 5.201 -3.159 1.00 13.53 C ATOM 160 CG TYR A 21 -3.063 6.478 -3.431 1.00 30.31 C ATOM 161 CD1 TYR A 21 -2.414 7.706 -3.457 1.00 54.30 C ATOM 162 CD2 TYR A 21 -4.433 6.455 -3.661 1.00 40.40 C ATOM 163 CE1 TYR A 21 -3.108 8.875 -3.705 1.00 10.13 C ATOM 164 CE2 TYR A 21 -5.134 7.619 -3.911 1.00 34.11 C ATOM 165 CZ TYR A 21 -4.468 8.826 -3.932 1.00 4.25 C ATOM 166 OH TYR A 21 -5.163 9.988 -4.179 1.00 30.43 O ATOM 0 H TYR A 21 -4.198 4.777 -1.462 1.00 5.21 H new ATOM 0 HA TYR A 21 -1.323 4.165 -1.550 1.00 31.33 H new ATOM 0 HB2 TYR A 21 -1.319 5.266 -3.632 1.00 13.53 H new ATOM 0 HB3 TYR A 21 -2.824 4.367 -3.625 1.00 13.53 H new ATOM 0 HD1 TYR A 21 -1.349 7.748 -3.280 1.00 54.30 H new ATOM 0 HD2 TYR A 21 -4.959 5.512 -3.644 1.00 40.40 H new ATOM 0 HE1 TYR A 21 -2.589 9.822 -3.721 1.00 10.13 H new ATOM 0 HE2 TYR A 21 -6.199 7.584 -4.089 1.00 34.11 H new ATOM 0 HH TYR A 21 -4.841 10.695 -3.582 1.00 30.43 H new ATOM 176 N PHE A 22 -2.447 6.507 0.119 1.00 60.41 N ATOM 177 CA PHE A 22 -2.162 7.698 0.910 1.00 31.13 C ATOM 178 C PHE A 22 -1.486 7.327 2.227 1.00 11.31 C ATOM 179 O PHE A 22 -0.540 7.986 2.657 1.00 12.44 O ATOM 180 CB PHE A 22 -3.452 8.473 1.187 1.00 71.13 C ATOM 181 CG PHE A 22 -3.639 9.665 0.292 1.00 62.20 C ATOM 182 CD1 PHE A 22 -2.754 10.730 0.341 1.00 62.21 C ATOM 183 CD2 PHE A 22 -4.700 9.720 -0.598 1.00 4.54 C ATOM 184 CE1 PHE A 22 -2.922 11.828 -0.481 1.00 74.04 C ATOM 185 CE2 PHE A 22 -4.873 10.816 -1.423 1.00 31.35 C ATOM 186 CZ PHE A 22 -3.984 11.871 -1.363 1.00 52.35 C ATOM 0 H PHE A 22 -3.250 5.968 0.443 1.00 60.41 H new ATOM 0 HA PHE A 22 -1.482 8.330 0.338 1.00 31.13 H new ATOM 0 HB2 PHE A 22 -4.302 7.802 1.067 1.00 71.13 H new ATOM 0 HB3 PHE A 22 -3.451 8.805 2.225 1.00 71.13 H new ATOM 0 HD1 PHE A 22 -1.923 10.702 1.030 1.00 62.21 H new ATOM 0 HD2 PHE A 22 -5.399 8.898 -0.648 1.00 4.54 H new ATOM 0 HE1 PHE A 22 -2.224 12.651 -0.434 1.00 74.04 H new ATOM 0 HE2 PHE A 22 -5.703 10.847 -2.114 1.00 31.35 H new ATOM 0 HZ PHE A 22 -4.119 12.729 -2.005 1.00 52.35 H new ATOM 196 N GLN A 23 -1.980 6.269 2.861 1.00 24.52 N ATOM 197 CA GLN A 23 -1.424 5.811 4.129 1.00 33.14 C ATOM 198 C GLN A 23 -0.003 5.290 3.945 1.00 42.11 C ATOM 199 O GLN A 23 0.915 5.696 4.656 1.00 0.14 O ATOM 200 CB GLN A 23 -2.307 4.716 4.731 1.00 10.45 C ATOM 201 CG GLN A 23 -3.761 5.128 4.893 1.00 15.01 C ATOM 202 CD GLN A 23 -4.034 5.799 6.225 1.00 24.31 C ATOM 203 OE1 GLN A 23 -4.496 6.939 6.276 1.00 32.32 O ATOM 204 NE2 GLN A 23 -3.747 5.093 7.313 1.00 75.00 N ATOM 0 H GLN A 23 -2.763 5.713 2.518 1.00 24.52 H new ATOM 0 HA GLN A 23 -1.394 6.661 4.811 1.00 33.14 H new ATOM 0 HB2 GLN A 23 -2.257 3.831 4.097 1.00 10.45 H new ATOM 0 HB3 GLN A 23 -1.907 4.433 5.705 1.00 10.45 H new ATOM 0 HG2 GLN A 23 -4.034 5.808 4.086 1.00 15.01 H new ATOM 0 HG3 GLN A 23 -4.397 4.248 4.797 1.00 15.01 H new ATOM 0 HE21 GLN A 23 -3.365 4.151 7.224 1.00 75.00 H new ATOM 0 HE22 GLN A 23 -3.908 5.493 8.238 1.00 75.00 H new ATOM 213 N GLY A 24 0.172 4.387 2.984 1.00 13.34 N ATOM 214 CA GLY A 24 1.484 3.825 2.724 1.00 1.31 C ATOM 215 C GLY A 24 2.564 4.886 2.643 1.00 14.34 C ATOM 216 O GLY A 24 3.729 4.619 2.935 1.00 50.02 O ATOM 0 H GLY A 24 -0.572 4.035 2.381 1.00 13.34 H new ATOM 0 HA2 GLY A 24 1.735 3.115 3.513 1.00 1.31 H new ATOM 0 HA3 GLY A 24 1.457 3.266 1.789 1.00 1.31 H new ATOM 220 N ALA A 25 2.176 6.093 2.245 1.00 10.50 N ATOM 221 CA ALA A 25 3.119 7.198 2.127 1.00 43.40 C ATOM 222 C ALA A 25 2.777 8.319 3.103 1.00 40.12 C ATOM 223 O ALA A 25 2.706 9.487 2.721 1.00 33.21 O ATOM 224 CB ALA A 25 3.138 7.726 0.700 1.00 42.00 C ATOM 0 H ALA A 25 1.215 6.330 1.999 1.00 10.50 H new ATOM 0 HA ALA A 25 4.112 6.824 2.378 1.00 43.40 H new ATOM 0 HB1 ALA A 25 3.847 8.551 0.627 1.00 42.00 H new ATOM 0 HB2 ALA A 25 3.438 6.928 0.021 1.00 42.00 H new ATOM 0 HB3 ALA A 25 2.143 8.078 0.429 1.00 42.00 H new ATOM 230 N MET A 26 2.565 7.956 4.364 1.00 65.55 N ATOM 231 CA MET A 26 2.231 8.932 5.394 1.00 30.41 C ATOM 232 C MET A 26 3.433 9.812 5.720 1.00 24.21 C ATOM 233 O MET A 26 3.303 11.026 5.872 1.00 74.04 O ATOM 234 CB MET A 26 1.745 8.223 6.660 1.00 61.33 C ATOM 235 CG MET A 26 0.356 7.620 6.524 1.00 41.34 C ATOM 236 SD MET A 26 -0.827 8.334 7.682 1.00 20.22 S ATOM 237 CE MET A 26 -0.882 10.030 7.108 1.00 34.43 C ATOM 0 H MET A 26 2.619 6.993 4.697 1.00 65.55 H new ATOM 0 HA MET A 26 1.432 9.567 5.012 1.00 30.41 H new ATOM 0 HB2 MET A 26 2.451 7.434 6.918 1.00 61.33 H new ATOM 0 HB3 MET A 26 1.744 8.933 7.487 1.00 61.33 H new ATOM 0 HG2 MET A 26 -0.003 7.770 5.506 1.00 41.34 H new ATOM 0 HG3 MET A 26 0.414 6.544 6.687 1.00 41.34 H new ATOM 0 HE1 MET A 26 -1.697 10.556 7.605 1.00 34.43 H new ATOM 0 HE2 MET A 26 0.062 10.523 7.339 1.00 34.43 H new ATOM 0 HE3 MET A 26 -1.045 10.044 6.030 1.00 34.43 H new ATOM 247 N ALA A 27 4.604 9.191 5.827 1.00 52.22 N ATOM 248 CA ALA A 27 5.829 9.919 6.133 1.00 21.20 C ATOM 249 C ALA A 27 6.853 9.766 5.013 1.00 31.23 C ATOM 250 O ALA A 27 6.847 10.526 4.045 1.00 40.10 O ATOM 251 CB ALA A 27 6.412 9.438 7.453 1.00 24.05 C ATOM 0 H ALA A 27 4.729 8.186 5.706 1.00 52.22 H new ATOM 0 HA ALA A 27 5.582 10.977 6.221 1.00 21.20 H new ATOM 0 HB1 ALA A 27 7.327 9.990 7.669 1.00 24.05 H new ATOM 0 HB2 ALA A 27 5.690 9.605 8.252 1.00 24.05 H new ATOM 0 HB3 ALA A 27 6.638 8.374 7.385 1.00 24.05 H new ATOM 257 N PHE A 28 7.732 8.779 5.152 1.00 34.41 N ATOM 258 CA PHE A 28 8.763 8.527 4.153 1.00 42.14 C ATOM 259 C PHE A 28 9.135 7.048 4.115 1.00 72.41 C ATOM 260 O PHE A 28 9.389 6.487 3.049 1.00 41.45 O ATOM 261 CB PHE A 28 10.006 9.369 4.448 1.00 11.33 C ATOM 262 CG PHE A 28 9.993 9.999 5.812 1.00 53.12 C ATOM 263 CD1 PHE A 28 9.191 11.099 6.074 1.00 65.13 C ATOM 264 CD2 PHE A 28 10.781 9.491 6.832 1.00 51.12 C ATOM 265 CE1 PHE A 28 9.178 11.681 7.327 1.00 21.43 C ATOM 266 CE2 PHE A 28 10.771 10.069 8.088 1.00 64.54 C ATOM 267 CZ PHE A 28 9.968 11.164 8.336 1.00 40.12 C ATOM 0 H PHE A 28 7.751 8.141 5.947 1.00 34.41 H new ATOM 0 HA PHE A 28 8.364 8.808 3.178 1.00 42.14 H new ATOM 0 HB2 PHE A 28 10.891 8.740 4.355 1.00 11.33 H new ATOM 0 HB3 PHE A 28 10.091 10.153 3.695 1.00 11.33 H new ATOM 0 HD1 PHE A 28 8.569 11.506 5.290 1.00 65.13 H new ATOM 0 HD2 PHE A 28 11.410 8.634 6.644 1.00 51.12 H new ATOM 0 HE1 PHE A 28 8.551 12.539 7.518 1.00 21.43 H new ATOM 0 HE2 PHE A 28 11.391 9.664 8.874 1.00 64.54 H new ATOM 0 HZ PHE A 28 9.957 11.616 9.317 1.00 40.12 H new ATOM 277 N ASP A 29 9.165 6.422 5.286 1.00 33.51 N ATOM 278 CA ASP A 29 9.505 5.007 5.388 1.00 13.15 C ATOM 279 C ASP A 29 8.659 4.321 6.457 1.00 4.02 C ATOM 280 O ASP A 29 8.797 3.122 6.697 1.00 54.15 O ATOM 281 CB ASP A 29 10.990 4.840 5.711 1.00 65.35 C ATOM 282 CG ASP A 29 11.598 3.629 5.030 1.00 74.22 C ATOM 283 OD1 ASP A 29 11.826 3.690 3.804 1.00 45.51 O ATOM 284 OD2 ASP A 29 11.843 2.619 5.723 1.00 41.12 O ATOM 0 H ASP A 29 8.958 6.871 6.178 1.00 33.51 H new ATOM 0 HA ASP A 29 9.295 4.538 4.427 1.00 13.15 H new ATOM 0 HB2 ASP A 29 11.529 5.736 5.402 1.00 65.35 H new ATOM 0 HB3 ASP A 29 11.116 4.748 6.790 1.00 65.35 H new ATOM 289 N GLY A 30 7.785 5.091 7.098 1.00 42.20 N ATOM 290 CA GLY A 30 6.932 4.541 8.134 1.00 34.54 C ATOM 291 C GLY A 30 6.171 3.315 7.669 1.00 53.14 C ATOM 292 O GLY A 30 5.705 2.520 8.484 1.00 73.34 O ATOM 0 H GLY A 30 7.653 6.086 6.918 1.00 42.20 H new ATOM 0 HA2 GLY A 30 7.540 4.280 9.000 1.00 34.54 H new ATOM 0 HA3 GLY A 30 6.223 5.303 8.459 1.00 34.54 H new ATOM 296 N GLU A 31 6.043 3.164 6.354 1.00 63.30 N ATOM 297 CA GLU A 31 5.331 2.027 5.782 1.00 12.31 C ATOM 298 C GLU A 31 6.245 0.810 5.675 1.00 32.12 C ATOM 299 O GLU A 31 7.090 0.731 4.784 1.00 41.45 O ATOM 300 CB GLU A 31 4.778 2.386 4.401 1.00 14.13 C ATOM 301 CG GLU A 31 4.523 1.179 3.515 1.00 64.41 C ATOM 302 CD GLU A 31 5.587 1.003 2.449 1.00 43.13 C ATOM 303 OE1 GLU A 31 5.969 2.011 1.819 1.00 55.45 O ATOM 304 OE2 GLU A 31 6.039 -0.143 2.245 1.00 31.42 O ATOM 0 H GLU A 31 6.423 3.814 5.666 1.00 63.30 H new ATOM 0 HA GLU A 31 4.502 1.780 6.445 1.00 12.31 H new ATOM 0 HB2 GLU A 31 3.847 2.939 4.524 1.00 14.13 H new ATOM 0 HB3 GLU A 31 5.480 3.052 3.900 1.00 14.13 H new ATOM 0 HG2 GLU A 31 4.481 0.282 4.133 1.00 64.41 H new ATOM 0 HG3 GLU A 31 3.549 1.283 3.037 1.00 64.41 H new ATOM 311 N ASP A 32 6.069 -0.136 6.591 1.00 60.43 N ATOM 312 CA ASP A 32 6.877 -1.351 6.600 1.00 11.52 C ATOM 313 C ASP A 32 5.997 -2.589 6.463 1.00 65.44 C ATOM 314 O ASP A 32 4.774 -2.487 6.378 1.00 42.02 O ATOM 315 CB ASP A 32 7.697 -1.433 7.888 1.00 2.35 C ATOM 316 CG ASP A 32 9.190 -1.459 7.624 1.00 53.53 C ATOM 317 OD1 ASP A 32 9.678 -0.570 6.895 1.00 60.12 O ATOM 318 OD2 ASP A 32 9.869 -2.368 8.145 1.00 45.23 O ATOM 0 H ASP A 32 5.375 -0.085 7.337 1.00 60.43 H new ATOM 0 HA ASP A 32 7.556 -1.314 5.748 1.00 11.52 H new ATOM 0 HB2 ASP A 32 7.458 -0.579 8.522 1.00 2.35 H new ATOM 0 HB3 ASP A 32 7.413 -2.329 8.440 1.00 2.35 H new ATOM 323 N GLU A 33 6.630 -3.758 6.440 1.00 30.52 N ATOM 324 CA GLU A 33 5.904 -5.017 6.311 1.00 42.43 C ATOM 325 C GLU A 33 5.750 -5.698 7.667 1.00 1.14 C ATOM 326 O GLU A 33 6.737 -6.038 8.320 1.00 43.03 O ATOM 327 CB GLU A 33 6.627 -5.950 5.338 1.00 64.40 C ATOM 328 CG GLU A 33 8.074 -6.221 5.716 1.00 41.34 C ATOM 329 CD GLU A 33 9.037 -5.933 4.580 1.00 10.11 C ATOM 330 OE1 GLU A 33 8.996 -6.662 3.568 1.00 63.44 O ATOM 331 OE2 GLU A 33 9.831 -4.977 4.705 1.00 63.14 O ATOM 0 H GLU A 33 7.643 -3.860 6.509 1.00 30.52 H new ATOM 0 HA GLU A 33 4.911 -4.796 5.921 1.00 42.43 H new ATOM 0 HB2 GLU A 33 6.090 -6.897 5.289 1.00 64.40 H new ATOM 0 HB3 GLU A 33 6.597 -5.514 4.339 1.00 64.40 H new ATOM 0 HG2 GLU A 33 8.341 -5.610 6.578 1.00 41.34 H new ATOM 0 HG3 GLU A 33 8.177 -7.263 6.020 1.00 41.34 H new ATOM 338 N VAL A 34 4.504 -5.894 8.087 1.00 51.44 N ATOM 339 CA VAL A 34 4.219 -6.534 9.365 1.00 60.31 C ATOM 340 C VAL A 34 4.237 -8.053 9.234 1.00 32.24 C ATOM 341 O VAL A 34 5.215 -8.636 8.765 1.00 31.33 O ATOM 342 CB VAL A 34 2.852 -6.094 9.921 1.00 10.23 C ATOM 343 CG1 VAL A 34 2.710 -6.506 11.378 1.00 23.45 C ATOM 344 CG2 VAL A 34 2.672 -4.591 9.764 1.00 23.51 C ATOM 0 H VAL A 34 3.675 -5.618 7.560 1.00 51.44 H new ATOM 0 HA VAL A 34 5.001 -6.222 10.057 1.00 60.31 H new ATOM 0 HB VAL A 34 2.069 -6.593 9.349 1.00 10.23 H new ATOM 0 HG11 VAL A 34 1.738 -6.186 11.753 1.00 23.45 H new ATOM 0 HG12 VAL A 34 2.792 -7.590 11.459 1.00 23.45 H new ATOM 0 HG13 VAL A 34 3.498 -6.037 11.967 1.00 23.45 H new ATOM 0 HG21 VAL A 34 1.701 -4.297 10.162 1.00 23.51 H new ATOM 0 HG22 VAL A 34 3.460 -4.071 10.309 1.00 23.51 H new ATOM 0 HG23 VAL A 34 2.726 -4.326 8.708 1.00 23.51 H new ATOM 354 N THR A 35 3.147 -8.690 9.652 1.00 24.51 N ATOM 355 CA THR A 35 3.037 -10.142 9.583 1.00 62.02 C ATOM 356 C THR A 35 1.641 -10.567 9.142 1.00 22.12 C ATOM 357 O THR A 35 1.449 -11.036 8.021 1.00 2.11 O ATOM 358 CB THR A 35 3.356 -10.795 10.941 1.00 34.10 C ATOM 359 OG1 THR A 35 2.394 -10.384 11.920 1.00 63.24 O ATOM 360 CG2 THR A 35 4.754 -10.419 11.408 1.00 70.54 C ATOM 0 H THR A 35 2.328 -8.223 10.042 1.00 24.51 H new ATOM 0 HA THR A 35 3.766 -10.480 8.846 1.00 62.02 H new ATOM 0 HB THR A 35 3.310 -11.877 10.818 1.00 34.10 H new ATOM 0 HG1 THR A 35 2.255 -11.108 12.566 1.00 63.24 H new ATOM 0 HG21 THR A 35 4.956 -10.892 12.369 1.00 70.54 H new ATOM 0 HG22 THR A 35 5.486 -10.759 10.675 1.00 70.54 H new ATOM 0 HG23 THR A 35 4.823 -9.336 11.515 1.00 70.54 H new ATOM 368 N GLY A 36 0.668 -10.399 10.032 1.00 32.45 N ATOM 369 CA GLY A 36 -0.699 -10.770 9.716 1.00 70.41 C ATOM 370 C GLY A 36 -1.695 -10.225 10.720 1.00 72.02 C ATOM 371 O GLY A 36 -2.541 -9.391 10.397 1.00 75.25 O ATOM 0 H GLY A 36 0.802 -10.013 10.966 1.00 32.45 H new ATOM 0 HA2 GLY A 36 -0.952 -10.401 8.722 1.00 70.41 H new ATOM 0 HA3 GLY A 36 -0.779 -11.857 9.683 1.00 70.41 H new ATOM 375 N PRO A 37 -1.602 -10.702 11.970 1.00 14.51 N ATOM 376 CA PRO A 37 -2.496 -10.271 13.050 1.00 44.13 C ATOM 377 C PRO A 37 -2.238 -8.829 13.475 1.00 22.52 C ATOM 378 O PRO A 37 -1.219 -8.239 13.116 1.00 21.02 O ATOM 379 CB PRO A 37 -2.161 -11.234 14.192 1.00 53.51 C ATOM 380 CG PRO A 37 -0.762 -11.669 13.923 1.00 74.31 C ATOM 381 CD PRO A 37 -0.618 -11.697 12.426 1.00 1.04 C ATOM 0 HA PRO A 37 -3.543 -10.295 12.747 1.00 44.13 H new ATOM 0 HB2 PRO A 37 -2.243 -10.742 15.161 1.00 53.51 H new ATOM 0 HB3 PRO A 37 -2.844 -12.084 14.207 1.00 53.51 H new ATOM 0 HG2 PRO A 37 -0.046 -10.980 14.371 1.00 74.31 H new ATOM 0 HG3 PRO A 37 -0.570 -12.652 14.352 1.00 74.31 H new ATOM 0 HD2 PRO A 37 0.393 -11.434 12.115 1.00 1.04 H new ATOM 0 HD3 PRO A 37 -0.829 -12.686 12.020 1.00 1.04 H new ATOM 389 N ASP A 38 -3.166 -8.269 14.242 1.00 15.10 N ATOM 390 CA ASP A 38 -3.039 -6.896 14.718 1.00 63.31 C ATOM 391 C ASP A 38 -1.963 -6.792 15.795 1.00 71.53 C ATOM 392 O ASP A 38 -1.330 -5.750 15.955 1.00 43.44 O ATOM 393 CB ASP A 38 -4.377 -6.397 15.266 1.00 25.41 C ATOM 394 CG ASP A 38 -5.559 -7.128 14.661 1.00 60.02 C ATOM 395 OD1 ASP A 38 -5.781 -8.301 15.026 1.00 60.22 O ATOM 396 OD2 ASP A 38 -6.262 -6.527 13.821 1.00 2.12 O ATOM 0 H ASP A 38 -4.015 -8.744 14.548 1.00 15.10 H new ATOM 0 HA ASP A 38 -2.746 -6.271 13.875 1.00 63.31 H new ATOM 0 HB2 ASP A 38 -4.392 -6.522 16.349 1.00 25.41 H new ATOM 0 HB3 ASP A 38 -4.473 -5.330 15.067 1.00 25.41 H new ATOM 401 N ALA A 39 -1.763 -7.880 16.531 1.00 34.53 N ATOM 402 CA ALA A 39 -0.764 -7.912 17.592 1.00 33.01 C ATOM 403 C ALA A 39 0.611 -7.520 17.063 1.00 40.02 C ATOM 404 O ALA A 39 1.413 -6.917 17.777 1.00 73.14 O ATOM 405 CB ALA A 39 -0.713 -9.293 18.228 1.00 31.30 C ATOM 0 H ALA A 39 -2.280 -8.751 16.412 1.00 34.53 H new ATOM 0 HA ALA A 39 -1.053 -7.185 18.351 1.00 33.01 H new ATOM 0 HB1 ALA A 39 0.037 -9.302 19.019 1.00 31.30 H new ATOM 0 HB2 ALA A 39 -1.688 -9.535 18.650 1.00 31.30 H new ATOM 0 HB3 ALA A 39 -0.452 -10.033 17.471 1.00 31.30 H new ATOM 411 N ASP A 40 0.878 -7.867 15.808 1.00 13.44 N ATOM 412 CA ASP A 40 2.157 -7.550 15.183 1.00 33.32 C ATOM 413 C ASP A 40 2.169 -6.115 14.667 1.00 1.22 C ATOM 414 O ASP A 40 3.213 -5.462 14.645 1.00 54.12 O ATOM 415 CB ASP A 40 2.441 -8.520 14.036 1.00 63.45 C ATOM 416 CG ASP A 40 3.021 -9.835 14.519 1.00 20.10 C ATOM 417 OD1 ASP A 40 2.233 -10.729 14.894 1.00 64.33 O ATOM 418 OD2 ASP A 40 4.262 -9.970 14.522 1.00 23.30 O ATOM 0 H ASP A 40 0.226 -8.368 15.204 1.00 13.44 H new ATOM 0 HA ASP A 40 2.938 -7.652 15.937 1.00 33.32 H new ATOM 0 HB2 ASP A 40 1.517 -8.712 13.490 1.00 63.45 H new ATOM 0 HB3 ASP A 40 3.135 -8.056 13.335 1.00 63.45 H new ATOM 423 N ARG A 41 1.003 -5.630 14.253 1.00 61.34 N ATOM 424 CA ARG A 41 0.880 -4.273 13.735 1.00 65.14 C ATOM 425 C ARG A 41 1.075 -3.247 14.847 1.00 14.11 C ATOM 426 O ARG A 41 1.756 -2.239 14.663 1.00 24.13 O ATOM 427 CB ARG A 41 -0.487 -4.077 13.078 1.00 12.40 C ATOM 428 CG ARG A 41 -1.523 -3.458 14.002 1.00 33.23 C ATOM 429 CD ARG A 41 -2.860 -3.278 13.299 1.00 3.35 C ATOM 430 NE ARG A 41 -3.229 -4.453 12.515 1.00 2.10 N ATOM 431 CZ ARG A 41 -4.485 -4.815 12.281 1.00 71.23 C ATOM 432 NH1 ARG A 41 -5.488 -4.097 12.768 1.00 45.13 N ATOM 433 NH2 ARG A 41 -4.741 -5.898 11.557 1.00 2.14 N ATOM 0 H ARG A 41 0.130 -6.157 14.266 1.00 61.34 H new ATOM 0 HA ARG A 41 1.659 -4.124 12.987 1.00 65.14 H new ATOM 0 HB2 ARG A 41 -0.371 -3.443 12.199 1.00 12.40 H new ATOM 0 HB3 ARG A 41 -0.854 -5.042 12.728 1.00 12.40 H new ATOM 0 HG2 ARG A 41 -1.654 -4.091 14.879 1.00 33.23 H new ATOM 0 HG3 ARG A 41 -1.164 -2.492 14.357 1.00 33.23 H new ATOM 0 HD2 ARG A 41 -3.635 -3.078 14.039 1.00 3.35 H new ATOM 0 HD3 ARG A 41 -2.812 -2.407 12.646 1.00 3.35 H new ATOM 0 HE ARG A 41 -2.481 -5.027 12.126 1.00 2.10 H new ATOM 0 HH11 ARG A 41 -5.296 -3.264 13.324 1.00 45.13 H new ATOM 0 HH12 ARG A 41 -6.452 -4.378 12.586 1.00 45.13 H new ATOM 0 HH21 ARG A 41 -3.973 -6.453 11.180 1.00 2.14 H new ATOM 0 HH22 ARG A 41 -5.706 -6.175 11.378 1.00 2.14 H new ATOM 447 N ALA A 42 0.470 -3.511 16.001 1.00 40.03 N ATOM 448 CA ALA A 42 0.578 -2.612 17.143 1.00 54.21 C ATOM 449 C ALA A 42 1.978 -2.653 17.744 1.00 45.21 C ATOM 450 O ALA A 42 2.478 -1.646 18.246 1.00 22.23 O ATOM 451 CB ALA A 42 -0.461 -2.969 18.196 1.00 71.43 C ATOM 0 H ALA A 42 -0.100 -4.340 16.169 1.00 40.03 H new ATOM 0 HA ALA A 42 0.391 -1.597 16.793 1.00 54.21 H new ATOM 0 HB1 ALA A 42 -0.369 -2.289 19.043 1.00 71.43 H new ATOM 0 HB2 ALA A 42 -1.459 -2.881 17.767 1.00 71.43 H new ATOM 0 HB3 ALA A 42 -0.300 -3.993 18.533 1.00 71.43 H new ATOM 457 N ARG A 43 2.607 -3.823 17.689 1.00 13.34 N ATOM 458 CA ARG A 43 3.950 -3.995 18.230 1.00 15.34 C ATOM 459 C ARG A 43 5.001 -3.492 17.246 1.00 51.43 C ATOM 460 O ARG A 43 5.978 -2.855 17.638 1.00 43.24 O ATOM 461 CB ARG A 43 4.206 -5.467 18.558 1.00 15.14 C ATOM 462 CG ARG A 43 4.756 -6.265 17.388 1.00 51.13 C ATOM 463 CD ARG A 43 4.792 -7.753 17.696 1.00 25.43 C ATOM 464 NE ARG A 43 6.093 -8.174 18.209 1.00 24.34 N ATOM 465 CZ ARG A 43 7.141 -8.430 17.434 1.00 4.03 C ATOM 466 NH1 ARG A 43 7.042 -8.308 16.118 1.00 50.22 N ATOM 467 NH2 ARG A 43 8.292 -8.808 17.976 1.00 62.31 N ATOM 0 H ARG A 43 2.208 -4.666 17.275 1.00 13.34 H new ATOM 0 HA ARG A 43 4.024 -3.408 19.145 1.00 15.34 H new ATOM 0 HB2 ARG A 43 4.907 -5.528 19.390 1.00 15.14 H new ATOM 0 HB3 ARG A 43 3.274 -5.923 18.892 1.00 15.14 H new ATOM 0 HG2 ARG A 43 4.141 -6.090 16.506 1.00 51.13 H new ATOM 0 HG3 ARG A 43 5.761 -5.917 17.150 1.00 51.13 H new ATOM 0 HD2 ARG A 43 4.020 -7.991 18.428 1.00 25.43 H new ATOM 0 HD3 ARG A 43 4.559 -8.316 16.792 1.00 25.43 H new ATOM 0 HE ARG A 43 6.203 -8.277 19.218 1.00 24.34 H new ATOM 0 HH11 ARG A 43 6.159 -8.017 15.698 1.00 50.22 H new ATOM 0 HH12 ARG A 43 7.848 -8.505 15.525 1.00 50.22 H new ATOM 0 HH21 ARG A 43 8.372 -8.902 18.988 1.00 62.31 H new ATOM 0 HH22 ARG A 43 9.096 -9.004 17.380 1.00 62.31 H new ATOM 481 N ALA A 44 4.793 -3.783 15.966 1.00 53.43 N ATOM 482 CA ALA A 44 5.721 -3.359 14.925 1.00 2.31 C ATOM 483 C ALA A 44 5.569 -1.871 14.626 1.00 21.14 C ATOM 484 O ALA A 44 6.498 -1.090 14.829 1.00 51.33 O ATOM 485 CB ALA A 44 5.506 -4.178 13.661 1.00 45.42 C ATOM 0 H ALA A 44 3.990 -4.311 15.625 1.00 53.43 H new ATOM 0 HA ALA A 44 6.735 -3.528 15.286 1.00 2.31 H new ATOM 0 HB1 ALA A 44 6.206 -3.851 12.892 1.00 45.42 H new ATOM 0 HB2 ALA A 44 5.673 -5.233 13.878 1.00 45.42 H new ATOM 0 HB3 ALA A 44 4.485 -4.038 13.306 1.00 45.42 H new ATOM 491 N ALA A 45 4.392 -1.487 14.143 1.00 2.43 N ATOM 492 CA ALA A 45 4.119 -0.092 13.818 1.00 34.40 C ATOM 493 C ALA A 45 4.417 0.817 15.005 1.00 44.10 C ATOM 494 O ALA A 45 4.629 2.018 14.841 1.00 41.22 O ATOM 495 CB ALA A 45 2.672 0.072 13.375 1.00 2.34 C ATOM 0 H ALA A 45 3.613 -2.122 13.968 1.00 2.43 H new ATOM 0 HA ALA A 45 4.775 0.200 12.998 1.00 34.40 H new ATOM 0 HB1 ALA A 45 2.481 1.118 13.135 1.00 2.34 H new ATOM 0 HB2 ALA A 45 2.490 -0.542 12.493 1.00 2.34 H new ATOM 0 HB3 ALA A 45 2.007 -0.243 14.179 1.00 2.34 H new ATOM 501 N ALA A 46 4.432 0.237 16.200 1.00 22.54 N ATOM 502 CA ALA A 46 4.706 0.995 17.415 1.00 63.14 C ATOM 503 C ALA A 46 6.007 1.781 17.289 1.00 50.00 C ATOM 504 O ALA A 46 5.997 3.010 17.223 1.00 3.33 O ATOM 505 CB ALA A 46 4.764 0.064 18.617 1.00 61.14 C ATOM 0 H ALA A 46 4.258 -0.756 16.353 1.00 22.54 H new ATOM 0 HA ALA A 46 3.894 1.707 17.560 1.00 63.14 H new ATOM 0 HB1 ALA A 46 4.969 0.644 19.517 1.00 61.14 H new ATOM 0 HB2 ALA A 46 3.809 -0.449 18.726 1.00 61.14 H new ATOM 0 HB3 ALA A 46 5.556 -0.671 18.470 1.00 61.14 H new ATOM 511 N VAL A 47 7.126 1.064 17.257 1.00 72.12 N ATOM 512 CA VAL A 47 8.435 1.695 17.139 1.00 70.33 C ATOM 513 C VAL A 47 9.074 1.386 15.789 1.00 21.25 C ATOM 514 O VAL A 47 10.058 2.014 15.400 1.00 52.31 O ATOM 515 CB VAL A 47 9.383 1.234 18.261 1.00 24.42 C ATOM 516 CG1 VAL A 47 10.659 2.063 18.257 1.00 72.50 C ATOM 517 CG2 VAL A 47 8.689 1.316 19.612 1.00 31.22 C ATOM 0 H VAL A 47 7.152 0.046 17.311 1.00 72.12 H new ATOM 0 HA VAL A 47 8.278 2.770 17.226 1.00 70.33 H new ATOM 0 HB VAL A 47 9.653 0.194 18.079 1.00 24.42 H new ATOM 0 HG11 VAL A 47 11.317 1.723 19.057 1.00 72.50 H new ATOM 0 HG12 VAL A 47 11.164 1.948 17.298 1.00 72.50 H new ATOM 0 HG13 VAL A 47 10.411 3.113 18.413 1.00 72.50 H new ATOM 0 HG21 VAL A 47 9.374 0.986 20.393 1.00 31.22 H new ATOM 0 HG22 VAL A 47 8.388 2.346 19.804 1.00 31.22 H new ATOM 0 HG23 VAL A 47 7.808 0.675 19.608 1.00 31.22 H new ATOM 527 N GLN A 48 8.508 0.414 15.081 1.00 13.31 N ATOM 528 CA GLN A 48 9.023 0.022 13.775 1.00 50.03 C ATOM 529 C GLN A 48 8.539 0.978 12.689 1.00 31.32 C ATOM 530 O GLN A 48 9.245 1.234 11.714 1.00 33.42 O ATOM 531 CB GLN A 48 8.592 -1.407 13.441 1.00 23.44 C ATOM 532 CG GLN A 48 9.548 -2.128 12.503 1.00 14.45 C ATOM 533 CD GLN A 48 10.410 -3.148 13.220 1.00 43.13 C ATOM 534 OE1 GLN A 48 10.638 -3.048 14.426 1.00 71.43 O ATOM 535 NE2 GLN A 48 10.896 -4.137 12.479 1.00 71.31 N ATOM 0 H GLN A 48 7.693 -0.116 15.390 1.00 13.31 H new ATOM 0 HA GLN A 48 10.111 0.066 13.814 1.00 50.03 H new ATOM 0 HB2 GLN A 48 8.505 -1.977 14.366 1.00 23.44 H new ATOM 0 HB3 GLN A 48 7.601 -1.382 12.988 1.00 23.44 H new ATOM 0 HG2 GLN A 48 8.976 -2.627 11.721 1.00 14.45 H new ATOM 0 HG3 GLN A 48 10.190 -1.397 12.012 1.00 14.45 H new ATOM 0 HE21 GLN A 48 10.681 -4.181 11.483 1.00 71.31 H new ATOM 0 HE22 GLN A 48 11.484 -4.853 12.906 1.00 71.31 H new ATOM 544 N ALA A 49 7.330 1.502 12.865 1.00 5.13 N ATOM 545 CA ALA A 49 6.753 2.431 11.902 1.00 71.33 C ATOM 546 C ALA A 49 6.735 3.853 12.452 1.00 20.43 C ATOM 547 O ALA A 49 6.398 4.800 11.742 1.00 35.02 O ATOM 548 CB ALA A 49 5.346 1.992 11.523 1.00 22.52 C ATOM 0 H ALA A 49 6.732 1.299 13.666 1.00 5.13 H new ATOM 0 HA ALA A 49 7.378 2.423 11.009 1.00 71.33 H new ATOM 0 HB1 ALA A 49 4.927 2.695 10.803 1.00 22.52 H new ATOM 0 HB2 ALA A 49 5.382 0.997 11.080 1.00 22.52 H new ATOM 0 HB3 ALA A 49 4.719 1.969 12.415 1.00 22.52 H new ATOM 554 N VAL A 50 7.100 3.995 13.723 1.00 52.14 N ATOM 555 CA VAL A 50 7.126 5.302 14.369 1.00 71.14 C ATOM 556 C VAL A 50 8.521 5.914 14.313 1.00 11.43 C ATOM 557 O VAL A 50 8.744 7.050 14.732 1.00 2.43 O ATOM 558 CB VAL A 50 6.675 5.210 15.839 1.00 42.54 C ATOM 559 CG1 VAL A 50 7.877 5.048 16.757 1.00 61.14 C ATOM 560 CG2 VAL A 50 5.862 6.437 16.223 1.00 1.24 C ATOM 0 H VAL A 50 7.382 3.221 14.325 1.00 52.14 H new ATOM 0 HA VAL A 50 6.431 5.940 13.823 1.00 71.14 H new ATOM 0 HB VAL A 50 6.040 4.331 15.953 1.00 42.54 H new ATOM 0 HG11 VAL A 50 7.539 4.985 17.791 1.00 61.14 H new ATOM 0 HG12 VAL A 50 8.415 4.137 16.495 1.00 61.14 H new ATOM 0 HG13 VAL A 50 8.540 5.906 16.644 1.00 61.14 H new ATOM 0 HG21 VAL A 50 5.551 6.356 17.265 1.00 1.24 H new ATOM 0 HG22 VAL A 50 6.471 7.332 16.095 1.00 1.24 H new ATOM 0 HG23 VAL A 50 4.980 6.504 15.585 1.00 1.24 H new ATOM 570 N PRO A 51 9.484 5.146 13.784 1.00 60.25 N ATOM 571 CA PRO A 51 10.875 5.592 13.660 1.00 53.55 C ATOM 572 C PRO A 51 11.040 6.690 12.614 1.00 11.33 C ATOM 573 O PRO A 51 11.981 7.480 12.673 1.00 43.21 O ATOM 574 CB PRO A 51 11.617 4.326 13.226 1.00 32.34 C ATOM 575 CG PRO A 51 10.582 3.492 12.553 1.00 41.13 C ATOM 576 CD PRO A 51 9.289 3.782 13.264 1.00 24.32 C ATOM 0 HA PRO A 51 11.248 6.024 14.588 1.00 53.55 H new ATOM 0 HB2 PRO A 51 12.438 4.561 12.549 1.00 32.34 H new ATOM 0 HB3 PRO A 51 12.049 3.807 14.082 1.00 32.34 H new ATOM 0 HG2 PRO A 51 10.509 3.740 11.494 1.00 41.13 H new ATOM 0 HG3 PRO A 51 10.833 2.433 12.616 1.00 41.13 H new ATOM 0 HD2 PRO A 51 8.437 3.728 12.586 1.00 24.32 H new ATOM 0 HD3 PRO A 51 9.103 3.069 14.067 1.00 24.32 H new ATOM 584 N GLY A 52 10.117 6.734 11.658 1.00 45.34 N ATOM 585 CA GLY A 52 10.179 7.740 10.613 1.00 65.31 C ATOM 586 C GLY A 52 9.501 9.035 11.014 1.00 60.34 C ATOM 587 O GLY A 52 10.116 10.100 10.987 1.00 72.13 O ATOM 0 H GLY A 52 9.328 6.092 11.588 1.00 45.34 H new ATOM 0 HA2 GLY A 52 11.222 7.940 10.367 1.00 65.31 H new ATOM 0 HA3 GLY A 52 9.708 7.351 9.710 1.00 65.31 H new ATOM 591 N GLY A 53 8.228 8.944 11.385 1.00 34.33 N ATOM 592 CA GLY A 53 7.486 10.125 11.786 1.00 34.30 C ATOM 593 C GLY A 53 6.272 9.788 12.630 1.00 42.41 C ATOM 594 O GLY A 53 5.926 10.524 13.556 1.00 64.54 O ATOM 0 H GLY A 53 7.697 8.074 11.415 1.00 34.33 H new ATOM 0 HA2 GLY A 53 8.142 10.789 12.348 1.00 34.30 H new ATOM 0 HA3 GLY A 53 7.167 10.669 10.897 1.00 34.30 H new ATOM 598 N THR A 54 5.621 8.674 12.310 1.00 0.32 N ATOM 599 CA THR A 54 4.438 8.243 13.043 1.00 15.55 C ATOM 600 C THR A 54 4.357 6.723 13.113 1.00 23.23 C ATOM 601 O THR A 54 4.833 6.025 12.218 1.00 0.03 O ATOM 602 CB THR A 54 3.148 8.785 12.397 1.00 3.15 C ATOM 603 OG1 THR A 54 2.005 8.137 12.966 1.00 25.54 O ATOM 604 CG2 THR A 54 3.164 8.567 10.892 1.00 25.11 C ATOM 0 H THR A 54 5.894 8.054 11.547 1.00 0.32 H new ATOM 0 HA THR A 54 4.528 8.646 14.052 1.00 15.55 H new ATOM 0 HB THR A 54 3.092 9.856 12.593 1.00 3.15 H new ATOM 0 HG1 THR A 54 2.090 8.121 13.942 1.00 25.54 H new ATOM 0 HG21 THR A 54 2.244 8.957 10.458 1.00 25.11 H new ATOM 0 HG22 THR A 54 4.019 9.086 10.458 1.00 25.11 H new ATOM 0 HG23 THR A 54 3.241 7.501 10.680 1.00 25.11 H new ATOM 612 N ALA A 55 3.752 6.215 14.182 1.00 12.30 N ATOM 613 CA ALA A 55 3.607 4.777 14.367 1.00 60.32 C ATOM 614 C ALA A 55 2.556 4.205 13.421 1.00 21.23 C ATOM 615 O ALA A 55 1.414 3.973 13.815 1.00 72.35 O ATOM 616 CB ALA A 55 3.246 4.464 15.811 1.00 22.24 C ATOM 0 H ALA A 55 3.354 6.779 14.933 1.00 12.30 H new ATOM 0 HA ALA A 55 4.563 4.308 14.133 1.00 60.32 H new ATOM 0 HB1 ALA A 55 3.141 3.386 15.934 1.00 22.24 H new ATOM 0 HB2 ALA A 55 4.033 4.830 16.470 1.00 22.24 H new ATOM 0 HB3 ALA A 55 2.305 4.952 16.065 1.00 22.24 H new ATOM 622 N GLY A 56 2.950 3.980 12.171 1.00 5.44 N ATOM 623 CA GLY A 56 2.030 3.438 11.189 1.00 11.22 C ATOM 624 C GLY A 56 2.720 2.542 10.181 1.00 62.44 C ATOM 625 O GLY A 56 3.331 3.024 9.228 1.00 40.41 O ATOM 0 H GLY A 56 3.890 4.164 11.821 1.00 5.44 H new ATOM 0 HA2 GLY A 56 1.250 2.872 11.699 1.00 11.22 H new ATOM 0 HA3 GLY A 56 1.538 4.258 10.665 1.00 11.22 H new ATOM 629 N GLU A 57 2.624 1.233 10.391 1.00 21.55 N ATOM 630 CA GLU A 57 3.247 0.267 9.494 1.00 41.14 C ATOM 631 C GLU A 57 2.223 -0.313 8.523 1.00 75.11 C ATOM 632 O GLU A 57 1.111 0.201 8.395 1.00 43.12 O ATOM 633 CB GLU A 57 3.902 -0.860 10.295 1.00 13.22 C ATOM 634 CG GLU A 57 5.256 -1.285 9.753 1.00 30.22 C ATOM 635 CD GLU A 57 5.745 -2.586 10.360 1.00 1.34 C ATOM 636 OE1 GLU A 57 5.388 -3.659 9.832 1.00 63.22 O ATOM 637 OE2 GLU A 57 6.485 -2.529 11.365 1.00 63.32 O ATOM 0 H GLU A 57 2.121 0.817 11.175 1.00 21.55 H new ATOM 0 HA GLU A 57 4.014 0.787 8.919 1.00 41.14 H new ATOM 0 HB2 GLU A 57 4.019 -0.538 11.330 1.00 13.22 H new ATOM 0 HB3 GLU A 57 3.236 -1.723 10.303 1.00 13.22 H new ATOM 0 HG2 GLU A 57 5.192 -1.395 8.670 1.00 30.22 H new ATOM 0 HG3 GLU A 57 5.985 -0.499 9.951 1.00 30.22 H new ATOM 644 N VAL A 58 2.605 -1.388 7.840 1.00 10.25 N ATOM 645 CA VAL A 58 1.721 -2.039 6.882 1.00 73.24 C ATOM 646 C VAL A 58 1.797 -3.557 7.006 1.00 3.32 C ATOM 647 O VAL A 58 2.851 -4.154 6.790 1.00 60.12 O ATOM 648 CB VAL A 58 2.066 -1.636 5.436 1.00 52.32 C ATOM 649 CG1 VAL A 58 0.969 -2.082 4.480 1.00 25.15 C ATOM 650 CG2 VAL A 58 2.288 -0.134 5.341 1.00 41.12 C ATOM 0 H VAL A 58 3.521 -1.826 7.933 1.00 10.25 H new ATOM 0 HA VAL A 58 0.708 -1.709 7.112 1.00 73.24 H new ATOM 0 HB VAL A 58 2.991 -2.137 5.149 1.00 52.32 H new ATOM 0 HG11 VAL A 58 1.231 -1.788 3.463 1.00 25.15 H new ATOM 0 HG12 VAL A 58 0.862 -3.166 4.529 1.00 25.15 H new ATOM 0 HG13 VAL A 58 0.027 -1.612 4.762 1.00 25.15 H new ATOM 0 HG21 VAL A 58 2.531 0.134 4.313 1.00 41.12 H new ATOM 0 HG22 VAL A 58 1.381 0.388 5.647 1.00 41.12 H new ATOM 0 HG23 VAL A 58 3.111 0.154 5.995 1.00 41.12 H new ATOM 660 N GLU A 59 0.673 -4.174 7.356 1.00 0.10 N ATOM 661 CA GLU A 59 0.614 -5.623 7.510 1.00 52.24 C ATOM 662 C GLU A 59 0.092 -6.284 6.237 1.00 12.12 C ATOM 663 O GLU A 59 -0.623 -5.664 5.449 1.00 0.40 O ATOM 664 CB GLU A 59 -0.279 -5.996 8.695 1.00 72.23 C ATOM 665 CG GLU A 59 -1.765 -5.939 8.379 1.00 5.45 C ATOM 666 CD GLU A 59 -2.286 -7.233 7.786 1.00 24.22 C ATOM 667 OE1 GLU A 59 -1.545 -8.238 7.814 1.00 22.33 O ATOM 668 OE2 GLU A 59 -3.433 -7.241 7.294 1.00 70.41 O ATOM 0 H GLU A 59 -0.208 -3.694 7.538 1.00 0.10 H new ATOM 0 HA GLU A 59 1.625 -5.985 7.698 1.00 52.24 H new ATOM 0 HB2 GLU A 59 -0.025 -7.002 9.028 1.00 72.23 H new ATOM 0 HB3 GLU A 59 -0.067 -5.323 9.525 1.00 72.23 H new ATOM 0 HG2 GLU A 59 -2.318 -5.713 9.291 1.00 5.45 H new ATOM 0 HG3 GLU A 59 -1.953 -5.123 7.682 1.00 5.45 H new ATOM 675 N THR A 60 0.455 -7.548 6.042 1.00 14.03 N ATOM 676 CA THR A 60 0.025 -8.294 4.866 1.00 44.41 C ATOM 677 C THR A 60 -0.616 -9.620 5.259 1.00 4.41 C ATOM 678 O THR A 60 0.027 -10.473 5.870 1.00 43.32 O ATOM 679 CB THR A 60 1.205 -8.569 3.914 1.00 11.11 C ATOM 680 OG1 THR A 60 0.824 -9.535 2.928 1.00 33.14 O ATOM 681 CG2 THR A 60 2.416 -9.073 4.685 1.00 74.54 C ATOM 0 H THR A 60 1.046 -8.077 6.684 1.00 14.03 H new ATOM 0 HA THR A 60 -0.712 -7.677 4.352 1.00 44.41 H new ATOM 0 HB THR A 60 1.472 -7.634 3.421 1.00 11.11 H new ATOM 0 HG1 THR A 60 1.579 -9.703 2.326 1.00 33.14 H new ATOM 0 HG21 THR A 60 3.236 -9.260 3.992 1.00 74.54 H new ATOM 0 HG22 THR A 60 2.721 -8.323 5.414 1.00 74.54 H new ATOM 0 HG23 THR A 60 2.159 -9.998 5.202 1.00 74.54 H new ATOM 689 N GLU A 61 -1.886 -9.786 4.904 1.00 1.23 N ATOM 690 CA GLU A 61 -2.613 -11.009 5.221 1.00 30.42 C ATOM 691 C GLU A 61 -3.362 -11.530 3.998 1.00 52.53 C ATOM 692 O GLU A 61 -3.445 -10.853 2.972 1.00 73.42 O ATOM 693 CB GLU A 61 -3.596 -10.763 6.368 1.00 43.32 C ATOM 694 CG GLU A 61 -3.275 -11.554 7.625 1.00 54.12 C ATOM 695 CD GLU A 61 -4.327 -12.600 7.939 1.00 30.14 C ATOM 696 OE1 GLU A 61 -4.206 -13.735 7.433 1.00 50.14 O ATOM 697 OE2 GLU A 61 -5.271 -12.283 8.693 1.00 32.42 O ATOM 0 H GLU A 61 -2.432 -9.089 4.397 1.00 1.23 H new ATOM 0 HA GLU A 61 -1.888 -11.762 5.529 1.00 30.42 H new ATOM 0 HB2 GLU A 61 -3.601 -9.700 6.609 1.00 43.32 H new ATOM 0 HB3 GLU A 61 -4.602 -11.019 6.035 1.00 43.32 H new ATOM 0 HG2 GLU A 61 -2.307 -12.041 7.506 1.00 54.12 H new ATOM 0 HG3 GLU A 61 -3.186 -10.869 8.468 1.00 54.12 H new ATOM 704 N THR A 62 -3.907 -12.737 4.113 1.00 4.14 N ATOM 705 CA THR A 62 -4.647 -13.350 3.018 1.00 53.51 C ATOM 706 C THR A 62 -6.088 -13.640 3.423 1.00 61.02 C ATOM 707 O THR A 62 -6.342 -14.467 4.298 1.00 54.24 O ATOM 708 CB THR A 62 -3.982 -14.659 2.553 1.00 35.14 C ATOM 709 OG1 THR A 62 -3.236 -15.238 3.629 1.00 4.24 O ATOM 710 CG2 THR A 62 -3.063 -14.408 1.368 1.00 25.21 C ATOM 0 H THR A 62 -3.849 -13.310 4.955 1.00 4.14 H new ATOM 0 HA THR A 62 -4.641 -12.637 2.194 1.00 53.51 H new ATOM 0 HB THR A 62 -4.766 -15.349 2.243 1.00 35.14 H new ATOM 0 HG1 THR A 62 -2.818 -16.071 3.326 1.00 4.24 H new ATOM 0 HG21 THR A 62 -2.605 -15.347 1.058 1.00 25.21 H new ATOM 0 HG22 THR A 62 -3.640 -13.995 0.541 1.00 25.21 H new ATOM 0 HG23 THR A 62 -2.284 -13.702 1.655 1.00 25.21 H new ATOM 718 N GLY A 63 -7.028 -12.955 2.780 1.00 54.43 N ATOM 719 CA GLY A 63 -8.433 -13.154 3.087 1.00 63.21 C ATOM 720 C GLY A 63 -9.169 -13.887 1.983 1.00 12.30 C ATOM 721 O GLY A 63 -8.594 -14.734 1.301 1.00 21.12 O ATOM 0 H GLY A 63 -6.842 -12.265 2.052 1.00 54.43 H new ATOM 0 HA2 GLY A 63 -8.523 -13.718 4.016 1.00 63.21 H new ATOM 0 HA3 GLY A 63 -8.906 -12.186 3.255 1.00 63.21 H new ATOM 725 N GLU A 64 -10.446 -13.560 1.808 1.00 70.51 N ATOM 726 CA GLU A 64 -11.262 -14.196 0.780 1.00 31.33 C ATOM 727 C GLU A 64 -11.134 -13.459 -0.550 1.00 31.03 C ATOM 728 O GLU A 64 -11.724 -13.858 -1.553 1.00 20.44 O ATOM 729 CB GLU A 64 -12.729 -14.236 1.215 1.00 63.24 C ATOM 730 CG GLU A 64 -13.614 -15.059 0.294 1.00 71.02 C ATOM 731 CD GLU A 64 -14.386 -16.134 1.034 1.00 64.31 C ATOM 732 OE1 GLU A 64 -13.831 -16.705 1.997 1.00 73.24 O ATOM 733 OE2 GLU A 64 -15.543 -16.405 0.651 1.00 63.32 O ATOM 0 H GLU A 64 -10.937 -12.860 2.364 1.00 70.51 H new ATOM 0 HA GLU A 64 -10.902 -15.216 0.646 1.00 31.33 H new ATOM 0 HB2 GLU A 64 -12.789 -14.645 2.224 1.00 63.24 H new ATOM 0 HB3 GLU A 64 -13.114 -13.217 1.260 1.00 63.24 H new ATOM 0 HG2 GLU A 64 -14.316 -14.398 -0.215 1.00 71.02 H new ATOM 0 HG3 GLU A 64 -12.998 -15.524 -0.476 1.00 71.02 H new ATOM 740 N GLY A 65 -10.358 -12.379 -0.549 1.00 15.13 N ATOM 741 CA GLY A 65 -10.167 -11.602 -1.759 1.00 71.15 C ATOM 742 C GLY A 65 -8.835 -11.885 -2.425 1.00 41.41 C ATOM 743 O GLY A 65 -8.569 -13.011 -2.842 1.00 65.33 O ATOM 0 H GLY A 65 -9.858 -12.029 0.268 1.00 15.13 H new ATOM 0 HA2 GLY A 65 -10.973 -11.821 -2.459 1.00 71.15 H new ATOM 0 HA3 GLY A 65 -10.232 -10.541 -1.520 1.00 71.15 H new ATOM 747 N ALA A 66 -7.996 -10.859 -2.526 1.00 53.44 N ATOM 748 CA ALA A 66 -6.685 -11.002 -3.146 1.00 23.22 C ATOM 749 C ALA A 66 -5.571 -10.678 -2.155 1.00 54.15 C ATOM 750 O ALA A 66 -4.935 -11.577 -1.607 1.00 4.31 O ATOM 751 CB ALA A 66 -6.580 -10.108 -4.372 1.00 64.14 C ATOM 0 H ALA A 66 -8.201 -9.919 -2.186 1.00 53.44 H new ATOM 0 HA ALA A 66 -6.569 -12.040 -3.457 1.00 23.22 H new ATOM 0 HB1 ALA A 66 -5.595 -10.225 -4.825 1.00 64.14 H new ATOM 0 HB2 ALA A 66 -7.347 -10.389 -5.094 1.00 64.14 H new ATOM 0 HB3 ALA A 66 -6.722 -9.068 -4.077 1.00 64.14 H new ATOM 757 N ALA A 67 -5.342 -9.388 -1.932 1.00 22.11 N ATOM 758 CA ALA A 67 -4.306 -8.946 -1.007 1.00 11.34 C ATOM 759 C ALA A 67 -4.916 -8.399 0.279 1.00 11.54 C ATOM 760 O ALA A 67 -5.250 -7.217 0.365 1.00 32.34 O ATOM 761 CB ALA A 67 -3.425 -7.894 -1.664 1.00 50.13 C ATOM 0 H ALA A 67 -5.860 -8.631 -2.379 1.00 22.11 H new ATOM 0 HA ALA A 67 -3.692 -9.809 -0.749 1.00 11.34 H new ATOM 0 HB1 ALA A 67 -2.656 -7.573 -0.961 1.00 50.13 H new ATOM 0 HB2 ALA A 67 -2.953 -8.317 -2.551 1.00 50.13 H new ATOM 0 HB3 ALA A 67 -4.034 -7.037 -1.951 1.00 50.13 H new ATOM 767 N ALA A 68 -5.059 -9.265 1.277 1.00 72.45 N ATOM 768 CA ALA A 68 -5.628 -8.868 2.558 1.00 20.15 C ATOM 769 C ALA A 68 -4.585 -8.179 3.432 1.00 21.40 C ATOM 770 O ALA A 68 -4.286 -8.636 4.536 1.00 61.24 O ATOM 771 CB ALA A 68 -6.205 -10.078 3.277 1.00 34.44 C ATOM 0 H ALA A 68 -4.788 -10.247 1.222 1.00 72.45 H new ATOM 0 HA ALA A 68 -6.431 -8.156 2.366 1.00 20.15 H new ATOM 0 HB1 ALA A 68 -6.627 -9.766 4.233 1.00 34.44 H new ATOM 0 HB2 ALA A 68 -6.987 -10.527 2.664 1.00 34.44 H new ATOM 0 HB3 ALA A 68 -5.415 -10.809 3.450 1.00 34.44 H new ATOM 777 N TYR A 69 -4.034 -7.079 2.931 1.00 30.33 N ATOM 778 CA TYR A 69 -3.022 -6.329 3.665 1.00 24.42 C ATOM 779 C TYR A 69 -3.569 -4.982 4.125 1.00 2.41 C ATOM 780 O TYR A 69 -4.175 -4.247 3.347 1.00 51.51 O ATOM 781 CB TYR A 69 -1.782 -6.119 2.794 1.00 2.15 C ATOM 782 CG TYR A 69 -1.825 -4.848 1.976 1.00 33.30 C ATOM 783 CD1 TYR A 69 -2.649 -4.744 0.862 1.00 43.21 C ATOM 784 CD2 TYR A 69 -1.043 -3.752 2.318 1.00 54.42 C ATOM 785 CE1 TYR A 69 -2.691 -3.585 0.111 1.00 61.20 C ATOM 786 CE2 TYR A 69 -1.080 -2.588 1.574 1.00 73.35 C ATOM 787 CZ TYR A 69 -1.905 -2.510 0.471 1.00 72.22 C ATOM 788 OH TYR A 69 -1.945 -1.354 -0.274 1.00 14.32 O ATOM 0 H TYR A 69 -4.271 -6.687 2.020 1.00 30.33 H new ATOM 0 HA TYR A 69 -2.745 -6.907 4.546 1.00 24.42 H new ATOM 0 HB2 TYR A 69 -0.899 -6.101 3.432 1.00 2.15 H new ATOM 0 HB3 TYR A 69 -1.672 -6.970 2.122 1.00 2.15 H new ATOM 0 HD1 TYR A 69 -3.267 -5.583 0.578 1.00 43.21 H new ATOM 0 HD2 TYR A 69 -0.395 -3.811 3.180 1.00 54.42 H new ATOM 0 HE1 TYR A 69 -3.336 -3.521 -0.753 1.00 61.20 H new ATOM 0 HE2 TYR A 69 -0.467 -1.744 1.854 1.00 73.35 H new ATOM 0 HH TYR A 69 -1.150 -0.814 -0.083 1.00 14.32 H new ATOM 798 N GLY A 70 -3.349 -4.664 5.397 1.00 2.34 N ATOM 799 CA GLY A 70 -3.825 -3.405 5.941 1.00 60.15 C ATOM 800 C GLY A 70 -2.696 -2.525 6.440 1.00 73.11 C ATOM 801 O GLY A 70 -1.656 -3.022 6.871 1.00 30.25 O ATOM 0 H GLY A 70 -2.850 -5.256 6.061 1.00 2.34 H new ATOM 0 HA2 GLY A 70 -4.386 -2.871 5.175 1.00 60.15 H new ATOM 0 HA3 GLY A 70 -4.515 -3.605 6.761 1.00 60.15 H new ATOM 805 N VAL A 71 -2.900 -1.213 6.380 1.00 12.13 N ATOM 806 CA VAL A 71 -1.891 -0.261 6.829 1.00 31.25 C ATOM 807 C VAL A 71 -2.403 0.571 7.999 1.00 12.44 C ATOM 808 O VAL A 71 -3.400 1.284 7.879 1.00 15.30 O ATOM 809 CB VAL A 71 -1.463 0.683 5.690 1.00 33.12 C ATOM 810 CG1 VAL A 71 -2.683 1.264 4.992 1.00 72.04 C ATOM 811 CG2 VAL A 71 -0.567 1.790 6.224 1.00 21.23 C ATOM 0 H VAL A 71 -3.755 -0.785 6.025 1.00 12.13 H new ATOM 0 HA VAL A 71 -1.028 -0.843 7.151 1.00 31.25 H new ATOM 0 HB VAL A 71 -0.895 0.108 4.959 1.00 33.12 H new ATOM 0 HG11 VAL A 71 -2.361 1.929 4.190 1.00 72.04 H new ATOM 0 HG12 VAL A 71 -3.283 0.455 4.574 1.00 72.04 H new ATOM 0 HG13 VAL A 71 -3.280 1.825 5.711 1.00 72.04 H new ATOM 0 HG21 VAL A 71 -0.274 2.448 5.406 1.00 21.23 H new ATOM 0 HG22 VAL A 71 -1.108 2.365 6.976 1.00 21.23 H new ATOM 0 HG23 VAL A 71 0.324 1.352 6.674 1.00 21.23 H new ATOM 821 N LEU A 72 -1.715 0.477 9.131 1.00 4.15 N ATOM 822 CA LEU A 72 -2.099 1.222 10.325 1.00 1.52 C ATOM 823 C LEU A 72 -1.129 2.371 10.586 1.00 72.40 C ATOM 824 O LEU A 72 0.084 2.216 10.449 1.00 64.43 O ATOM 825 CB LEU A 72 -2.144 0.292 11.539 1.00 51.33 C ATOM 826 CG LEU A 72 -1.145 -0.865 11.535 1.00 43.01 C ATOM 827 CD1 LEU A 72 -1.513 -1.884 10.468 1.00 24.41 C ATOM 828 CD2 LEU A 72 0.270 -0.348 11.316 1.00 55.43 C ATOM 0 H LEU A 72 -0.888 -0.108 9.248 1.00 4.15 H new ATOM 0 HA LEU A 72 -3.092 1.640 10.158 1.00 1.52 H new ATOM 0 HB2 LEU A 72 -1.975 0.889 12.435 1.00 51.33 H new ATOM 0 HB3 LEU A 72 -3.149 -0.122 11.617 1.00 51.33 H new ATOM 0 HG LEU A 72 -1.184 -1.357 12.507 1.00 43.01 H new ATOM 0 HD11 LEU A 72 -0.791 -2.700 10.480 1.00 24.41 H new ATOM 0 HD12 LEU A 72 -2.509 -2.278 10.669 1.00 24.41 H new ATOM 0 HD13 LEU A 72 -1.503 -1.405 9.489 1.00 24.41 H new ATOM 0 HD21 LEU A 72 0.968 -1.186 11.316 1.00 55.43 H new ATOM 0 HD22 LEU A 72 0.324 0.169 10.358 1.00 55.43 H new ATOM 0 HD23 LEU A 72 0.533 0.343 12.117 1.00 55.43 H new ATOM 840 N VAL A 73 -1.673 3.523 10.965 1.00 44.00 N ATOM 841 CA VAL A 73 -0.856 4.697 11.249 1.00 63.23 C ATOM 842 C VAL A 73 -1.501 5.570 12.319 1.00 22.33 C ATOM 843 O VAL A 73 -2.633 6.029 12.163 1.00 4.43 O ATOM 844 CB VAL A 73 -0.628 5.542 9.981 1.00 13.02 C ATOM 845 CG1 VAL A 73 0.498 6.541 10.200 1.00 14.13 C ATOM 846 CG2 VAL A 73 -0.331 4.645 8.789 1.00 35.32 C ATOM 0 H VAL A 73 -2.676 3.668 11.082 1.00 44.00 H new ATOM 0 HA VAL A 73 0.105 4.333 11.612 1.00 63.23 H new ATOM 0 HB VAL A 73 -1.540 6.100 9.769 1.00 13.02 H new ATOM 0 HG11 VAL A 73 0.644 7.129 9.294 1.00 14.13 H new ATOM 0 HG12 VAL A 73 0.240 7.205 11.025 1.00 14.13 H new ATOM 0 HG13 VAL A 73 1.418 6.006 10.438 1.00 14.13 H new ATOM 0 HG21 VAL A 73 -0.173 5.259 7.902 1.00 35.32 H new ATOM 0 HG22 VAL A 73 0.566 4.059 8.989 1.00 35.32 H new ATOM 0 HG23 VAL A 73 -1.173 3.974 8.620 1.00 35.32 H new ATOM 856 N THR A 74 -0.773 5.796 13.409 1.00 61.43 N ATOM 857 CA THR A 74 -1.274 6.613 14.507 1.00 63.15 C ATOM 858 C THR A 74 -0.179 6.887 15.532 1.00 53.14 C ATOM 859 O THR A 74 0.916 7.327 15.182 1.00 70.15 O ATOM 860 CB THR A 74 -2.465 5.937 15.212 1.00 4.22 C ATOM 861 OG1 THR A 74 -3.335 5.343 14.243 1.00 14.10 O ATOM 862 CG2 THR A 74 -3.240 6.944 16.049 1.00 70.33 C ATOM 0 H THR A 74 0.166 5.424 13.554 1.00 61.43 H new ATOM 0 HA THR A 74 -1.606 7.556 14.074 1.00 63.15 H new ATOM 0 HB THR A 74 -2.076 5.162 15.873 1.00 4.22 H new ATOM 0 HG1 THR A 74 -3.467 5.965 13.497 1.00 14.10 H new ATOM 0 HG21 THR A 74 -4.076 6.444 16.537 1.00 70.33 H new ATOM 0 HG22 THR A 74 -2.582 7.372 16.805 1.00 70.33 H new ATOM 0 HG23 THR A 74 -3.618 7.738 15.405 1.00 70.33 H new ATOM 870 N ARG A 75 -0.482 6.624 16.799 1.00 73.14 N ATOM 871 CA ARG A 75 0.477 6.843 17.875 1.00 55.12 C ATOM 872 C ARG A 75 1.067 5.520 18.354 1.00 4.52 C ATOM 873 O ARG A 75 0.386 4.498 18.427 1.00 33.10 O ATOM 874 CB ARG A 75 -0.193 7.568 19.043 1.00 13.15 C ATOM 875 CG ARG A 75 0.321 8.982 19.258 1.00 54.41 C ATOM 876 CD ARG A 75 0.922 9.152 20.644 1.00 4.21 C ATOM 877 NE ARG A 75 0.863 10.538 21.100 1.00 5.33 N ATOM 878 CZ ARG A 75 1.587 11.518 20.570 1.00 53.03 C ATOM 879 NH1 ARG A 75 2.419 11.265 19.569 1.00 22.13 N ATOM 880 NH2 ARG A 75 1.478 12.754 21.040 1.00 54.25 N ATOM 0 H ARG A 75 -1.384 6.259 17.105 1.00 73.14 H new ATOM 0 HA ARG A 75 1.286 7.463 17.488 1.00 55.12 H new ATOM 0 HB2 ARG A 75 -1.268 7.604 18.868 1.00 13.15 H new ATOM 0 HB3 ARG A 75 -0.037 6.991 19.955 1.00 13.15 H new ATOM 0 HG2 ARG A 75 1.072 9.216 18.503 1.00 54.41 H new ATOM 0 HG3 ARG A 75 -0.496 9.691 19.125 1.00 54.41 H new ATOM 0 HD2 ARG A 75 0.390 8.515 21.350 1.00 4.21 H new ATOM 0 HD3 ARG A 75 1.960 8.818 20.633 1.00 4.21 H new ATOM 0 HE ARG A 75 0.231 10.766 21.868 1.00 5.33 H new ATOM 0 HH11 ARG A 75 2.504 10.316 19.204 1.00 22.13 H new ATOM 0 HH12 ARG A 75 2.974 12.019 19.164 1.00 22.13 H new ATOM 0 HH21 ARG A 75 0.838 12.953 21.809 1.00 54.25 H new ATOM 0 HH22 ARG A 75 2.034 13.506 20.632 1.00 54.25 H new ATOM 894 N PRO A 76 2.366 5.539 18.689 1.00 42.03 N ATOM 895 CA PRO A 76 3.078 4.350 19.167 1.00 74.22 C ATOM 896 C PRO A 76 2.624 3.924 20.559 1.00 63.31 C ATOM 897 O PRO A 76 3.282 3.118 21.217 1.00 64.42 O ATOM 898 CB PRO A 76 4.541 4.799 19.195 1.00 54.01 C ATOM 899 CG PRO A 76 4.479 6.279 19.354 1.00 45.05 C ATOM 900 CD PRO A 76 3.240 6.723 18.627 1.00 62.45 C ATOM 0 HA PRO A 76 2.897 3.483 18.531 1.00 74.22 H new ATOM 0 HB2 PRO A 76 5.082 4.334 20.019 1.00 54.01 H new ATOM 0 HB3 PRO A 76 5.058 4.521 18.277 1.00 54.01 H new ATOM 0 HG2 PRO A 76 4.434 6.557 20.407 1.00 45.05 H new ATOM 0 HG3 PRO A 76 5.367 6.754 18.937 1.00 45.05 H new ATOM 0 HD2 PRO A 76 2.781 7.587 19.107 1.00 62.45 H new ATOM 0 HD3 PRO A 76 3.458 7.008 17.598 1.00 62.45 H new ATOM 908 N ASP A 77 1.497 4.469 21.002 1.00 51.43 N ATOM 909 CA ASP A 77 0.955 4.144 22.316 1.00 53.22 C ATOM 910 C ASP A 77 -0.047 2.998 22.222 1.00 75.03 C ATOM 911 O ASP A 77 -0.956 2.885 23.044 1.00 41.14 O ATOM 912 CB ASP A 77 0.286 5.373 22.934 1.00 41.35 C ATOM 913 CG ASP A 77 1.252 6.208 23.752 1.00 74.21 C ATOM 914 OD1 ASP A 77 2.150 5.620 24.389 1.00 2.02 O ATOM 915 OD2 ASP A 77 1.108 7.449 23.756 1.00 62.42 O ATOM 0 H ASP A 77 0.941 5.138 20.470 1.00 51.43 H new ATOM 0 HA ASP A 77 1.781 3.830 22.955 1.00 53.22 H new ATOM 0 HB2 ASP A 77 -0.140 5.988 22.142 1.00 41.35 H new ATOM 0 HB3 ASP A 77 -0.540 5.053 23.569 1.00 41.35 H new ATOM 920 N GLY A 78 0.124 2.149 21.213 1.00 44.45 N ATOM 921 CA GLY A 78 -0.773 1.024 21.029 1.00 70.23 C ATOM 922 C GLY A 78 -2.032 1.403 20.275 1.00 13.31 C ATOM 923 O GLY A 78 -2.785 0.536 19.830 1.00 22.35 O ATOM 0 H GLY A 78 0.869 2.221 20.520 1.00 44.45 H new ATOM 0 HA2 GLY A 78 -0.253 0.234 20.488 1.00 70.23 H new ATOM 0 HA3 GLY A 78 -1.045 0.617 22.003 1.00 70.23 H new ATOM 927 N THR A 79 -2.265 2.704 20.131 1.00 1.44 N ATOM 928 CA THR A 79 -3.443 3.197 19.429 1.00 10.22 C ATOM 929 C THR A 79 -3.115 3.545 17.982 1.00 70.23 C ATOM 930 O THR A 79 -2.462 4.552 17.708 1.00 55.20 O ATOM 931 CB THR A 79 -4.032 4.440 20.123 1.00 5.21 C ATOM 932 OG1 THR A 79 -3.141 5.552 19.975 1.00 72.24 O ATOM 933 CG2 THR A 79 -4.273 4.171 21.601 1.00 53.43 C ATOM 0 H THR A 79 -1.653 3.436 20.492 1.00 1.44 H new ATOM 0 HA THR A 79 -4.181 2.395 19.449 1.00 10.22 H new ATOM 0 HB THR A 79 -4.987 4.674 19.652 1.00 5.21 H new ATOM 0 HG1 THR A 79 -2.501 5.365 19.257 1.00 72.24 H new ATOM 0 HG21 THR A 79 -4.689 5.063 22.070 1.00 53.43 H new ATOM 0 HG22 THR A 79 -4.973 3.343 21.711 1.00 53.43 H new ATOM 0 HG23 THR A 79 -3.329 3.914 22.083 1.00 53.43 H new ATOM 941 N ARG A 80 -3.572 2.705 17.058 1.00 11.43 N ATOM 942 CA ARG A 80 -3.326 2.924 15.638 1.00 13.40 C ATOM 943 C ARG A 80 -4.580 2.633 14.818 1.00 2.01 C ATOM 944 O ARG A 80 -5.522 2.009 15.306 1.00 73.22 O ATOM 945 CB ARG A 80 -2.173 2.043 15.156 1.00 24.24 C ATOM 946 CG ARG A 80 -2.319 0.581 15.546 1.00 13.13 C ATOM 947 CD ARG A 80 -1.048 -0.203 15.258 1.00 13.52 C ATOM 948 NE ARG A 80 0.152 0.593 15.500 1.00 41.53 N ATOM 949 CZ ARG A 80 0.561 0.958 16.710 1.00 61.22 C ATOM 950 NH1 ARG A 80 -0.130 0.599 17.783 1.00 71.12 N ATOM 951 NH2 ARG A 80 1.664 1.682 16.848 1.00 1.35 N ATOM 0 H ARG A 80 -4.114 1.867 17.268 1.00 11.43 H new ATOM 0 HA ARG A 80 -3.056 3.971 15.499 1.00 13.40 H new ATOM 0 HB2 ARG A 80 -2.101 2.115 14.071 1.00 24.24 H new ATOM 0 HB3 ARG A 80 -1.238 2.427 15.564 1.00 24.24 H new ATOM 0 HG2 ARG A 80 -2.560 0.509 16.607 1.00 13.13 H new ATOM 0 HG3 ARG A 80 -3.152 0.139 14.999 1.00 13.13 H new ATOM 0 HD2 ARG A 80 -1.023 -1.096 15.883 1.00 13.52 H new ATOM 0 HD3 ARG A 80 -1.057 -0.540 14.221 1.00 13.52 H new ATOM 0 HE ARG A 80 0.707 0.885 14.695 1.00 41.53 H new ATOM 0 HH11 ARG A 80 -0.978 0.041 17.681 1.00 71.12 H new ATOM 0 HH12 ARG A 80 0.186 0.881 18.711 1.00 71.12 H new ATOM 0 HH21 ARG A 80 2.199 1.959 16.025 1.00 1.35 H new ATOM 0 HH22 ARG A 80 1.977 1.962 17.777 1.00 1.35 H new ATOM 965 N VAL A 81 -4.584 3.090 13.570 1.00 63.12 N ATOM 966 CA VAL A 81 -5.721 2.878 12.682 1.00 45.13 C ATOM 967 C VAL A 81 -5.327 2.028 11.479 1.00 52.33 C ATOM 968 O VAL A 81 -4.793 2.538 10.495 1.00 44.42 O ATOM 969 CB VAL A 81 -6.301 4.215 12.184 1.00 2.32 C ATOM 970 CG1 VAL A 81 -7.047 4.923 13.304 1.00 13.44 C ATOM 971 CG2 VAL A 81 -5.196 5.100 11.626 1.00 74.12 C ATOM 0 H VAL A 81 -3.813 3.609 13.151 1.00 63.12 H new ATOM 0 HA VAL A 81 -6.482 2.354 13.261 1.00 45.13 H new ATOM 0 HB VAL A 81 -7.009 4.008 11.382 1.00 2.32 H new ATOM 0 HG11 VAL A 81 -7.450 5.866 12.934 1.00 13.44 H new ATOM 0 HG12 VAL A 81 -7.864 4.291 13.653 1.00 13.44 H new ATOM 0 HG13 VAL A 81 -6.363 5.120 14.129 1.00 13.44 H new ATOM 0 HG21 VAL A 81 -5.624 6.041 11.279 1.00 74.12 H new ATOM 0 HG22 VAL A 81 -4.462 5.301 12.406 1.00 74.12 H new ATOM 0 HG23 VAL A 81 -4.710 4.593 10.793 1.00 74.12 H new ATOM 981 N GLU A 82 -5.596 0.729 11.565 1.00 12.32 N ATOM 982 CA GLU A 82 -5.270 -0.192 10.483 1.00 44.52 C ATOM 983 C GLU A 82 -6.330 -0.141 9.387 1.00 73.01 C ATOM 984 O GLU A 82 -7.511 -0.383 9.638 1.00 22.23 O ATOM 985 CB GLU A 82 -5.142 -1.619 11.019 1.00 61.02 C ATOM 986 CG GLU A 82 -4.784 -2.640 9.952 1.00 73.01 C ATOM 987 CD GLU A 82 -5.935 -3.574 9.629 1.00 43.42 C ATOM 988 OE1 GLU A 82 -7.098 -3.185 9.863 1.00 72.42 O ATOM 989 OE2 GLU A 82 -5.671 -4.693 9.141 1.00 3.24 O ATOM 0 H GLU A 82 -6.039 0.291 12.373 1.00 12.32 H new ATOM 0 HA GLU A 82 -4.315 0.114 10.055 1.00 44.52 H new ATOM 0 HB2 GLU A 82 -4.380 -1.638 11.799 1.00 61.02 H new ATOM 0 HB3 GLU A 82 -6.083 -1.909 11.486 1.00 61.02 H new ATOM 0 HG2 GLU A 82 -4.478 -2.120 9.045 1.00 73.01 H new ATOM 0 HG3 GLU A 82 -3.928 -3.226 10.288 1.00 73.01 H new ATOM 996 N VAL A 83 -5.900 0.176 8.170 1.00 55.04 N ATOM 997 CA VAL A 83 -6.812 0.258 7.034 1.00 3.24 C ATOM 998 C VAL A 83 -6.858 -1.060 6.270 1.00 31.24 C ATOM 999 O VAL A 83 -5.827 -1.691 6.035 1.00 3.32 O ATOM 1000 CB VAL A 83 -6.403 1.385 6.067 1.00 12.23 C ATOM 1001 CG1 VAL A 83 -7.555 1.734 5.137 1.00 0.41 C ATOM 1002 CG2 VAL A 83 -5.943 2.611 6.842 1.00 25.40 C ATOM 0 H VAL A 83 -4.926 0.380 7.945 1.00 55.04 H new ATOM 0 HA VAL A 83 -7.801 0.476 7.437 1.00 3.24 H new ATOM 0 HB VAL A 83 -5.569 1.034 5.459 1.00 12.23 H new ATOM 0 HG11 VAL A 83 -7.248 2.532 4.461 1.00 0.41 H new ATOM 0 HG12 VAL A 83 -7.834 0.854 4.557 1.00 0.41 H new ATOM 0 HG13 VAL A 83 -8.410 2.066 5.726 1.00 0.41 H new ATOM 0 HG21 VAL A 83 -5.658 3.397 6.143 1.00 25.40 H new ATOM 0 HG22 VAL A 83 -6.755 2.966 7.476 1.00 25.40 H new ATOM 0 HG23 VAL A 83 -5.086 2.349 7.463 1.00 25.40 H new ATOM 1012 N HIS A 84 -8.062 -1.472 5.884 1.00 25.12 N ATOM 1013 CA HIS A 84 -8.243 -2.716 5.145 1.00 61.22 C ATOM 1014 C HIS A 84 -8.033 -2.495 3.650 1.00 65.41 C ATOM 1015 O HIS A 84 -8.818 -1.807 2.997 1.00 45.51 O ATOM 1016 CB HIS A 84 -9.640 -3.285 5.397 1.00 42.25 C ATOM 1017 CG HIS A 84 -9.656 -4.770 5.590 1.00 11.21 C ATOM 1018 ND1 HIS A 84 -8.780 -5.724 5.196 1.00 52.51 N flip ATOM 1019 CD2 HIS A 84 -10.664 -5.431 6.260 1.00 55.34 C flip ATOM 1020 CE1 HIS A 84 -9.270 -6.931 5.631 1.00 71.34 C flip ATOM 1021 NE2 HIS A 84 -10.407 -6.726 6.271 1.00 42.32 N flip ATOM 0 H HIS A 84 -8.926 -0.963 6.071 1.00 25.12 H new ATOM 0 HA HIS A 84 -7.499 -3.431 5.497 1.00 61.22 H new ATOM 0 HB2 HIS A 84 -10.064 -2.808 6.280 1.00 42.25 H new ATOM 0 HB3 HIS A 84 -10.285 -3.029 4.556 1.00 42.25 H new ATOM 0 HD2 HIS A 84 -11.529 -4.962 6.706 1.00 55.34 H new ATOM 0 HE1 HIS A 84 -8.802 -7.892 5.475 1.00 71.34 H new ATOM 0 HE2 HIS A 84 -10.988 -7.446 6.701 1.00 42.32 H new ATOM 1029 N LEU A 85 -6.968 -3.083 3.114 1.00 35.21 N ATOM 1030 CA LEU A 85 -6.654 -2.950 1.696 1.00 71.22 C ATOM 1031 C LEU A 85 -6.608 -4.316 1.018 1.00 41.11 C ATOM 1032 O LEU A 85 -5.694 -5.106 1.253 1.00 65.02 O ATOM 1033 CB LEU A 85 -5.315 -2.233 1.515 1.00 11.01 C ATOM 1034 CG LEU A 85 -4.845 -1.382 2.695 1.00 23.24 C ATOM 1035 CD1 LEU A 85 -3.596 -0.598 2.324 1.00 24.31 C ATOM 1036 CD2 LEU A 85 -5.952 -0.442 3.150 1.00 45.25 C ATOM 0 H LEU A 85 -6.308 -3.656 3.640 1.00 35.21 H new ATOM 0 HA LEU A 85 -7.442 -2.359 1.229 1.00 71.22 H new ATOM 0 HB2 LEU A 85 -4.551 -2.981 1.305 1.00 11.01 H new ATOM 0 HB3 LEU A 85 -5.384 -1.593 0.636 1.00 11.01 H new ATOM 0 HG LEU A 85 -4.599 -2.048 3.522 1.00 23.24 H new ATOM 0 HD11 LEU A 85 -3.276 0.002 3.176 1.00 24.31 H new ATOM 0 HD12 LEU A 85 -2.800 -1.290 2.049 1.00 24.31 H new ATOM 0 HD13 LEU A 85 -3.815 0.057 1.481 1.00 24.31 H new ATOM 0 HD21 LEU A 85 -5.599 0.156 3.991 1.00 45.25 H new ATOM 0 HD22 LEU A 85 -6.231 0.217 2.328 1.00 45.25 H new ATOM 0 HD23 LEU A 85 -6.820 -1.025 3.458 1.00 45.25 H new ATOM 1048 N ASP A 86 -7.599 -4.586 0.175 1.00 45.21 N ATOM 1049 CA ASP A 86 -7.670 -5.855 -0.540 1.00 44.32 C ATOM 1050 C ASP A 86 -8.140 -5.644 -1.976 1.00 42.30 C ATOM 1051 O ASP A 86 -9.132 -4.958 -2.220 1.00 15.30 O ATOM 1052 CB ASP A 86 -8.612 -6.819 0.182 1.00 62.34 C ATOM 1053 CG ASP A 86 -8.135 -8.257 0.110 1.00 53.34 C ATOM 1054 OD1 ASP A 86 -7.718 -8.690 -0.985 1.00 51.33 O ATOM 1055 OD2 ASP A 86 -8.179 -8.948 1.148 1.00 24.41 O ATOM 0 H ASP A 86 -8.364 -3.943 -0.030 1.00 45.21 H new ATOM 0 HA ASP A 86 -6.670 -6.287 -0.564 1.00 44.32 H new ATOM 0 HB2 ASP A 86 -8.702 -6.521 1.227 1.00 62.34 H new ATOM 0 HB3 ASP A 86 -9.607 -6.747 -0.257 1.00 62.34 H new ATOM 1060 N ARG A 87 -7.420 -6.237 -2.922 1.00 45.14 N ATOM 1061 CA ARG A 87 -7.762 -6.112 -4.334 1.00 43.00 C ATOM 1062 C ARG A 87 -9.153 -6.675 -4.608 1.00 52.11 C ATOM 1063 O ARG A 87 -9.571 -6.791 -5.760 1.00 62.34 O ATOM 1064 CB ARG A 87 -6.728 -6.837 -5.197 1.00 45.35 C ATOM 1065 CG ARG A 87 -6.402 -6.113 -6.494 1.00 21.21 C ATOM 1066 CD ARG A 87 -6.905 -6.885 -7.704 1.00 4.11 C ATOM 1067 NE ARG A 87 -6.834 -6.091 -8.928 1.00 11.35 N ATOM 1068 CZ ARG A 87 -7.112 -6.573 -10.134 1.00 0.13 C ATOM 1069 NH1 ARG A 87 -7.477 -7.839 -10.277 1.00 34.31 N ATOM 1070 NH2 ARG A 87 -7.025 -5.788 -11.200 1.00 0.43 N ATOM 0 H ARG A 87 -6.596 -6.809 -2.737 1.00 45.14 H new ATOM 0 HA ARG A 87 -7.760 -5.053 -4.590 1.00 43.00 H new ATOM 0 HB2 ARG A 87 -5.811 -6.964 -4.621 1.00 45.35 H new ATOM 0 HB3 ARG A 87 -7.098 -7.835 -5.431 1.00 45.35 H new ATOM 0 HG2 ARG A 87 -6.852 -5.121 -6.481 1.00 21.21 H new ATOM 0 HG3 ARG A 87 -5.324 -5.973 -6.573 1.00 21.21 H new ATOM 0 HD2 ARG A 87 -6.314 -7.793 -7.826 1.00 4.11 H new ATOM 0 HD3 ARG A 87 -7.936 -7.196 -7.533 1.00 4.11 H new ATOM 0 HE ARG A 87 -6.556 -5.113 -8.852 1.00 11.35 H new ATOM 0 HH11 ARG A 87 -7.545 -8.446 -9.460 1.00 34.31 H new ATOM 0 HH12 ARG A 87 -7.690 -8.207 -11.204 1.00 34.31 H new ATOM 0 HH21 ARG A 87 -6.744 -4.813 -11.094 1.00 0.43 H new ATOM 0 HH22 ARG A 87 -7.239 -6.159 -12.126 1.00 0.43 H new ATOM 1084 N ASP A 88 -9.865 -7.023 -3.542 1.00 53.10 N ATOM 1085 CA ASP A 88 -11.210 -7.573 -3.667 1.00 60.31 C ATOM 1086 C ASP A 88 -12.175 -6.529 -4.220 1.00 32.24 C ATOM 1087 O ASP A 88 -13.343 -6.823 -4.476 1.00 51.53 O ATOM 1088 CB ASP A 88 -11.706 -8.077 -2.311 1.00 20.41 C ATOM 1089 CG ASP A 88 -12.790 -9.129 -2.445 1.00 41.32 C ATOM 1090 OD1 ASP A 88 -12.842 -9.796 -3.500 1.00 33.23 O ATOM 1091 OD2 ASP A 88 -13.585 -9.285 -1.496 1.00 14.35 O ATOM 0 H ASP A 88 -9.533 -6.934 -2.582 1.00 53.10 H new ATOM 0 HA ASP A 88 -11.170 -8.410 -4.364 1.00 60.31 H new ATOM 0 HB2 ASP A 88 -10.867 -8.493 -1.752 1.00 20.41 H new ATOM 0 HB3 ASP A 88 -12.089 -7.236 -1.732 1.00 20.41 H new ATOM 1096 N PHE A 89 -11.680 -5.309 -4.399 1.00 62.34 N ATOM 1097 CA PHE A 89 -12.499 -4.221 -4.919 1.00 42.55 C ATOM 1098 C PHE A 89 -13.543 -3.788 -3.895 1.00 33.25 C ATOM 1099 O PHE A 89 -14.463 -3.034 -4.211 1.00 14.35 O ATOM 1100 CB PHE A 89 -13.188 -4.647 -6.217 1.00 64.34 C ATOM 1101 CG PHE A 89 -12.305 -5.453 -7.128 1.00 12.25 C ATOM 1102 CD1 PHE A 89 -11.190 -4.881 -7.718 1.00 2.44 C ATOM 1103 CD2 PHE A 89 -12.591 -6.782 -7.393 1.00 74.24 C ATOM 1104 CE1 PHE A 89 -10.375 -5.619 -8.555 1.00 74.24 C ATOM 1105 CE2 PHE A 89 -11.781 -7.526 -8.230 1.00 5.21 C ATOM 1106 CZ PHE A 89 -10.672 -6.943 -8.813 1.00 21.34 C ATOM 0 H PHE A 89 -10.716 -5.049 -4.192 1.00 62.34 H new ATOM 0 HA PHE A 89 -11.844 -3.374 -5.124 1.00 42.55 H new ATOM 0 HB2 PHE A 89 -14.075 -5.232 -5.973 1.00 64.34 H new ATOM 0 HB3 PHE A 89 -13.528 -3.758 -6.747 1.00 64.34 H new ATOM 0 HD1 PHE A 89 -10.955 -3.845 -7.521 1.00 2.44 H new ATOM 0 HD2 PHE A 89 -13.457 -7.242 -6.940 1.00 74.24 H new ATOM 0 HE1 PHE A 89 -9.507 -5.161 -9.007 1.00 74.24 H new ATOM 0 HE2 PHE A 89 -12.014 -8.562 -8.428 1.00 5.21 H new ATOM 0 HZ PHE A 89 -10.039 -7.522 -9.469 1.00 21.34 H new ATOM 1116 N ARG A 90 -13.394 -4.272 -2.666 1.00 22.41 N ATOM 1117 CA ARG A 90 -14.324 -3.938 -1.595 1.00 34.15 C ATOM 1118 C ARG A 90 -13.587 -3.754 -0.272 1.00 3.34 C ATOM 1119 O ARG A 90 -14.206 -3.569 0.776 1.00 10.32 O ATOM 1120 CB ARG A 90 -15.385 -5.032 -1.451 1.00 44.44 C ATOM 1121 CG ARG A 90 -14.859 -6.310 -0.819 1.00 35.10 C ATOM 1122 CD ARG A 90 -15.196 -6.377 0.663 1.00 64.54 C ATOM 1123 NE ARG A 90 -15.983 -7.562 0.992 1.00 71.52 N ATOM 1124 CZ ARG A 90 -16.647 -7.710 2.133 1.00 24.11 C ATOM 1125 NH1 ARG A 90 -16.618 -6.752 3.049 1.00 31.01 N ATOM 1126 NH2 ARG A 90 -17.341 -8.818 2.360 1.00 51.14 N ATOM 0 H ARG A 90 -12.637 -4.897 -2.388 1.00 22.41 H new ATOM 0 HA ARG A 90 -14.813 -2.999 -1.853 1.00 34.15 H new ATOM 0 HB2 ARG A 90 -16.209 -4.650 -0.848 1.00 44.44 H new ATOM 0 HB3 ARG A 90 -15.792 -5.264 -2.435 1.00 44.44 H new ATOM 0 HG2 ARG A 90 -15.286 -7.173 -1.330 1.00 35.10 H new ATOM 0 HG3 ARG A 90 -13.778 -6.365 -0.951 1.00 35.10 H new ATOM 0 HD2 ARG A 90 -14.274 -6.381 1.245 1.00 64.54 H new ATOM 0 HD3 ARG A 90 -15.750 -5.483 0.950 1.00 64.54 H new ATOM 0 HE ARG A 90 -16.025 -8.318 0.308 1.00 71.52 H new ATOM 0 HH11 ARG A 90 -16.085 -5.899 2.878 1.00 31.01 H new ATOM 0 HH12 ARG A 90 -17.129 -6.868 3.924 1.00 31.01 H new ATOM 0 HH21 ARG A 90 -17.365 -9.558 1.658 1.00 51.14 H new ATOM 0 HH22 ARG A 90 -17.850 -8.930 3.237 1.00 51.14 H new ATOM 1140 N VAL A 91 -12.260 -3.806 -0.328 1.00 4.04 N ATOM 1141 CA VAL A 91 -11.437 -3.644 0.865 1.00 32.24 C ATOM 1142 C VAL A 91 -10.546 -2.412 0.755 1.00 23.44 C ATOM 1143 O VAL A 91 -9.340 -2.523 0.530 1.00 22.11 O ATOM 1144 CB VAL A 91 -10.555 -4.883 1.111 1.00 42.40 C ATOM 1145 CG1 VAL A 91 -9.750 -4.720 2.391 1.00 1.43 C ATOM 1146 CG2 VAL A 91 -11.407 -6.141 1.164 1.00 72.50 C ATOM 0 H VAL A 91 -11.732 -3.959 -1.187 1.00 4.04 H new ATOM 0 HA VAL A 91 -12.119 -3.521 1.706 1.00 32.24 H new ATOM 0 HB VAL A 91 -9.856 -4.980 0.281 1.00 42.40 H new ATOM 0 HG11 VAL A 91 -9.133 -5.605 2.548 1.00 1.43 H new ATOM 0 HG12 VAL A 91 -9.110 -3.841 2.309 1.00 1.43 H new ATOM 0 HG13 VAL A 91 -10.429 -4.597 3.235 1.00 1.43 H new ATOM 0 HG21 VAL A 91 -10.768 -7.006 1.338 1.00 72.50 H new ATOM 0 HG22 VAL A 91 -12.131 -6.056 1.974 1.00 72.50 H new ATOM 0 HG23 VAL A 91 -11.934 -6.264 0.218 1.00 72.50 H new ATOM 1156 N LEU A 92 -11.146 -1.238 0.916 1.00 31.43 N ATOM 1157 CA LEU A 92 -10.407 0.017 0.836 1.00 64.41 C ATOM 1158 C LEU A 92 -10.774 0.940 1.993 1.00 51.32 C ATOM 1159 O LEU A 92 -10.425 2.121 1.992 1.00 32.04 O ATOM 1160 CB LEU A 92 -10.688 0.713 -0.497 1.00 31.32 C ATOM 1161 CG LEU A 92 -11.108 -0.196 -1.653 1.00 1.40 C ATOM 1162 CD1 LEU A 92 -12.619 -0.182 -1.821 1.00 13.11 C ATOM 1163 CD2 LEU A 92 -10.422 0.231 -2.943 1.00 13.33 C ATOM 0 H LEU A 92 -12.143 -1.129 1.103 1.00 31.43 H new ATOM 0 HA LEU A 92 -9.343 -0.211 0.902 1.00 64.41 H new ATOM 0 HB2 LEU A 92 -11.473 1.453 -0.339 1.00 31.32 H new ATOM 0 HB3 LEU A 92 -9.792 1.257 -0.796 1.00 31.32 H new ATOM 0 HG LEU A 92 -10.799 -1.215 -1.420 1.00 1.40 H new ATOM 0 HD11 LEU A 92 -12.899 -0.834 -2.648 1.00 13.11 H new ATOM 0 HD12 LEU A 92 -13.090 -0.536 -0.904 1.00 13.11 H new ATOM 0 HD13 LEU A 92 -12.952 0.834 -2.032 1.00 13.11 H new ATOM 0 HD21 LEU A 92 -10.732 -0.427 -3.755 1.00 13.33 H new ATOM 0 HD22 LEU A 92 -10.701 1.258 -3.181 1.00 13.33 H new ATOM 0 HD23 LEU A 92 -9.341 0.168 -2.818 1.00 13.33 H new ATOM 1175 N ASP A 93 -11.478 0.394 2.978 1.00 11.31 N ATOM 1176 CA ASP A 93 -11.890 1.168 4.143 1.00 12.43 C ATOM 1177 C ASP A 93 -10.870 1.040 5.270 1.00 64.41 C ATOM 1178 O ASP A 93 -10.029 0.140 5.261 1.00 23.13 O ATOM 1179 CB ASP A 93 -13.265 0.707 4.629 1.00 71.42 C ATOM 1180 CG ASP A 93 -14.343 0.895 3.580 1.00 50.44 C ATOM 1181 OD1 ASP A 93 -14.060 1.540 2.549 1.00 52.54 O ATOM 1182 OD2 ASP A 93 -15.470 0.399 3.790 1.00 63.02 O ATOM 0 H ASP A 93 -11.775 -0.582 2.993 1.00 11.31 H new ATOM 0 HA ASP A 93 -11.950 2.216 3.848 1.00 12.43 H new ATOM 0 HB2 ASP A 93 -13.214 -0.345 4.909 1.00 71.42 H new ATOM 0 HB3 ASP A 93 -13.535 1.263 5.527 1.00 71.42 H new ATOM 1187 N THR A 94 -10.948 1.946 6.239 1.00 11.03 N ATOM 1188 CA THR A 94 -10.031 1.936 7.372 1.00 65.45 C ATOM 1189 C THR A 94 -10.668 1.277 8.590 1.00 50.52 C ATOM 1190 O THR A 94 -11.889 1.140 8.664 1.00 4.22 O ATOM 1191 CB THR A 94 -9.585 3.362 7.747 1.00 70.52 C ATOM 1192 OG1 THR A 94 -8.694 3.318 8.867 1.00 33.41 O ATOM 1193 CG2 THR A 94 -10.786 4.233 8.081 1.00 0.30 C ATOM 0 H THR A 94 -11.638 2.697 6.262 1.00 11.03 H new ATOM 0 HA THR A 94 -9.158 1.359 7.066 1.00 65.45 H new ATOM 0 HB THR A 94 -9.069 3.795 6.890 1.00 70.52 H new ATOM 0 HG1 THR A 94 -8.414 4.228 9.098 1.00 33.41 H new ATOM 0 HG21 THR A 94 -10.447 5.235 8.343 1.00 0.30 H new ATOM 0 HG22 THR A 94 -11.447 4.288 7.216 1.00 0.30 H new ATOM 0 HG23 THR A 94 -11.326 3.801 8.924 1.00 0.30 H new ATOM 1201 N GLU A 95 -9.834 0.873 9.543 1.00 61.04 N ATOM 1202 CA GLU A 95 -10.318 0.229 10.758 1.00 71.10 C ATOM 1203 C GLU A 95 -9.424 0.568 11.947 1.00 41.50 C ATOM 1204 O GLU A 95 -8.204 0.404 11.906 1.00 54.12 O ATOM 1205 CB GLU A 95 -10.379 -1.288 10.568 1.00 22.23 C ATOM 1206 CG GLU A 95 -10.816 -2.040 11.814 1.00 74.32 C ATOM 1207 CD GLU A 95 -11.203 -3.477 11.522 1.00 22.30 C ATOM 1208 OE1 GLU A 95 -12.295 -3.696 10.958 1.00 13.24 O ATOM 1209 OE2 GLU A 95 -10.411 -4.383 11.858 1.00 75.55 O ATOM 0 H GLU A 95 -8.821 0.980 9.497 1.00 61.04 H new ATOM 0 HA GLU A 95 -11.321 0.603 10.962 1.00 71.10 H new ATOM 0 HB2 GLU A 95 -11.068 -1.517 9.755 1.00 22.23 H new ATOM 0 HB3 GLU A 95 -9.396 -1.647 10.263 1.00 22.23 H new ATOM 0 HG2 GLU A 95 -10.007 -2.027 12.544 1.00 74.32 H new ATOM 0 HG3 GLU A 95 -11.663 -1.524 12.267 1.00 74.32 H new ATOM 1216 N PRO A 96 -10.043 1.054 13.033 1.00 54.51 N ATOM 1217 CA PRO A 96 -9.324 1.428 14.254 1.00 23.32 C ATOM 1218 C PRO A 96 -8.768 0.215 14.993 1.00 13.02 C ATOM 1219 O PRO A 96 -9.510 -0.700 15.350 1.00 52.32 O ATOM 1220 CB PRO A 96 -10.394 2.124 15.098 1.00 33.00 C ATOM 1221 CG PRO A 96 -11.685 1.555 14.618 1.00 44.25 C ATOM 1222 CD PRO A 96 -11.494 1.277 13.152 1.00 32.42 C ATOM 0 HA PRO A 96 -8.457 2.054 14.041 1.00 23.32 H new ATOM 0 HB2 PRO A 96 -10.247 1.931 16.161 1.00 33.00 H new ATOM 0 HB3 PRO A 96 -10.363 3.205 14.963 1.00 33.00 H new ATOM 0 HG2 PRO A 96 -11.935 0.642 15.159 1.00 44.25 H new ATOM 0 HG3 PRO A 96 -12.504 2.256 14.779 1.00 44.25 H new ATOM 0 HD2 PRO A 96 -12.062 0.404 12.831 1.00 32.42 H new ATOM 0 HD3 PRO A 96 -11.823 2.115 12.538 1.00 32.42 H new ATOM 1230 N ALA A 97 -7.459 0.215 15.220 1.00 21.14 N ATOM 1231 CA ALA A 97 -6.805 -0.884 15.919 1.00 21.44 C ATOM 1232 C ALA A 97 -6.190 -0.412 17.232 1.00 2.42 C ATOM 1233 O ALA A 97 -5.978 0.784 17.434 1.00 2.23 O ATOM 1234 CB ALA A 97 -5.741 -1.515 15.033 1.00 73.11 C ATOM 0 H ALA A 97 -6.830 0.964 14.930 1.00 21.14 H new ATOM 0 HA ALA A 97 -7.561 -1.634 16.151 1.00 21.44 H new ATOM 0 HB1 ALA A 97 -5.261 -2.334 15.568 1.00 73.11 H new ATOM 0 HB2 ALA A 97 -6.205 -1.898 14.124 1.00 73.11 H new ATOM 0 HB3 ALA A 97 -4.994 -0.766 14.771 1.00 73.11 H new ATOM 1240 N ASP A 98 -5.906 -1.357 18.121 1.00 12.14 N ATOM 1241 CA ASP A 98 -5.315 -1.037 19.415 1.00 2.34 C ATOM 1242 C ASP A 98 -4.078 -1.891 19.674 1.00 45.23 C ATOM 1243 O ASP A 98 -3.339 -2.228 18.749 1.00 14.00 O ATOM 1244 CB ASP A 98 -6.337 -1.247 20.533 1.00 13.34 C ATOM 1245 CG ASP A 98 -6.160 -0.262 21.672 1.00 32.04 C ATOM 1246 OD1 ASP A 98 -5.113 0.417 21.713 1.00 43.03 O ATOM 1247 OD2 ASP A 98 -7.070 -0.170 22.523 1.00 5.30 O ATOM 0 H ASP A 98 -6.076 -2.351 17.969 1.00 12.14 H new ATOM 0 HA ASP A 98 -5.015 0.011 19.400 1.00 2.34 H new ATOM 0 HB2 ASP A 98 -7.343 -1.149 20.125 1.00 13.34 H new ATOM 0 HB3 ASP A 98 -6.247 -2.263 20.918 1.00 13.34 H new ATOM 1252 N GLY A 99 -3.857 -2.237 20.938 1.00 3.25 N ATOM 1253 CA GLY A 99 -2.707 -3.047 21.296 1.00 73.31 C ATOM 1254 C GLY A 99 -3.064 -4.509 21.481 1.00 64.01 C ATOM 1255 O GLY A 99 -2.185 -5.372 21.499 1.00 53.42 O ATOM 0 H GLY A 99 -4.454 -1.971 21.721 1.00 3.25 H new ATOM 0 HA2 GLY A 99 -1.947 -2.957 20.520 1.00 73.31 H new ATOM 0 HA3 GLY A 99 -2.269 -2.664 22.217 1.00 73.31 H new ATOM 1259 N ASP A 100 -4.355 -4.788 21.620 1.00 23.45 N ATOM 1260 CA ASP A 100 -4.825 -6.156 21.806 1.00 74.11 C ATOM 1261 C ASP A 100 -5.180 -6.795 20.467 1.00 53.12 C ATOM 1262 O ASP A 100 -4.959 -7.987 20.258 1.00 2.11 O ATOM 1263 CB ASP A 100 -6.041 -6.178 22.734 1.00 71.42 C ATOM 1264 CG ASP A 100 -5.745 -6.852 24.059 1.00 13.35 C ATOM 1265 OD1 ASP A 100 -5.805 -8.098 24.118 1.00 43.51 O ATOM 1266 OD2 ASP A 100 -5.455 -6.133 25.039 1.00 53.22 O ATOM 0 H ASP A 100 -5.095 -4.086 21.607 1.00 23.45 H new ATOM 0 HA ASP A 100 -4.020 -6.732 22.261 1.00 74.11 H new ATOM 0 HB2 ASP A 100 -6.374 -5.156 22.916 1.00 71.42 H new ATOM 0 HB3 ASP A 100 -6.862 -6.698 22.240 1.00 71.42 H new ATOM 1271 N GLY A 101 -5.734 -5.993 19.562 1.00 2.12 N ATOM 1272 CA GLY A 101 -6.112 -6.498 18.255 1.00 4.12 C ATOM 1273 C GLY A 101 -7.602 -6.749 18.139 1.00 11.33 C ATOM 1274 O GLY A 101 -8.106 -7.045 17.057 1.00 34.41 O ATOM 0 H GLY A 101 -5.928 -5.003 19.711 1.00 2.12 H new ATOM 0 HA2 GLY A 101 -5.807 -5.783 17.491 1.00 4.12 H new ATOM 0 HA3 GLY A 101 -5.574 -7.425 18.058 1.00 4.12 H new ATOM 1278 N GLY A 102 -8.310 -6.631 19.259 1.00 45.21 N ATOM 1279 CA GLY A 102 -9.744 -6.852 19.257 1.00 62.01 C ATOM 1280 C GLY A 102 -10.501 -5.752 19.974 1.00 51.12 C ATOM 1281 O GLY A 102 -11.693 -5.888 20.249 1.00 10.24 O ATOM 0 H GLY A 102 -7.915 -6.386 20.167 1.00 45.21 H new ATOM 0 HA2 GLY A 102 -10.097 -6.920 18.228 1.00 62.01 H new ATOM 0 HA3 GLY A 102 -9.962 -7.808 19.733 1.00 62.01 H new