USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 527 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 THR OG1 : rot -95:sc= 0.464 USER MOD Set 1.2: A 51 GLN : amide:sc= -9.25! C(o=-8.8!,f=-30!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -172:sc= -1.16! USER MOD Single : A 20 SER OG : rot -46:sc= 0.476 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.0743 USER MOD Single : A 28 ASN : amide:sc= 0.772 K(o=0.77,f=-4.2!) USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.147) USER MOD Single : A 37 ASN : amide:sc= -0.459 X(o=-0.46,f=-0.09) USER MOD Single : A 38 LYS NZ :NH3+ 151:sc= -0.097 (180deg=-0.792) USER MOD Single : A 39 ASN :FLIP amide:sc= -0.0803 F(o=-2.1!,f=-0.08) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.435 F(o=-1,f=-0.43) USER MOD Single : A 45 MET CE :methyl -120:sc= -0.0039 (180deg=-0.251) USER MOD Single : A 46 ASN : amide:sc= -1.18 X(o=-1.2,f=-1.6) USER MOD Single : A 48 ASN : amide:sc= -0.961 X(o=-0.96,f=-0.66) USER MOD Single : A 53 LYS NZ :NH3+ -119:sc= -0.276 (180deg=-0.616) USER MOD Single : A 55 LYS NZ :NH3+ -164:sc= 0.226 (180deg=0.105) USER MOD Single : A 56 GLN : amide:sc= -0.194 K(o=-0.19,f=-1) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 -0.306 13.760 -1.814 1.00 0.00 N ATOM 2 CA ILE A 6 0.704 14.099 -0.772 1.00 0.00 C ATOM 3 C ILE A 6 2.061 13.498 -1.182 1.00 0.00 C ATOM 4 O ILE A 6 2.126 12.347 -1.564 1.00 0.00 O ATOM 5 CB ILE A 6 0.244 13.507 0.578 1.00 0.00 C ATOM 6 CG1 ILE A 6 -0.981 14.308 1.069 1.00 0.00 C ATOM 7 CG2 ILE A 6 1.380 13.567 1.628 1.00 0.00 C ATOM 8 CD1 ILE A 6 -1.267 14.012 2.542 1.00 0.00 C ATOM 0 HA ILE A 6 0.806 15.180 -0.673 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.021 12.459 0.442 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.801 15.375 0.936 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.853 14.054 0.466 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.029 13.144 2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.237 12.995 1.270 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.676 14.604 1.785 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.134 14.587 2.867 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.470 12.948 2.667 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.401 14.289 3.144 1.00 0.00 H new ATOM 20 N PRO A 7 3.148 14.243 -1.089 1.00 0.00 N ATOM 21 CA PRO A 7 4.485 13.699 -1.447 1.00 0.00 C ATOM 22 C PRO A 7 4.718 12.332 -0.791 1.00 0.00 C ATOM 23 O PRO A 7 4.639 12.176 0.411 1.00 0.00 O ATOM 24 CB PRO A 7 5.489 14.747 -0.942 1.00 0.00 C ATOM 25 CG PRO A 7 4.711 16.024 -0.779 1.00 0.00 C ATOM 26 CD PRO A 7 3.224 15.650 -0.651 1.00 0.00 C ATOM 0 HA PRO A 7 4.586 13.530 -2.519 1.00 0.00 H new ATOM 0 HB2 PRO A 7 5.933 14.437 0.004 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.307 14.877 -1.651 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.047 16.567 0.105 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.868 16.680 -1.635 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.875 15.764 0.375 1.00 0.00 H new ATOM 0 HD3 PRO A 7 2.600 16.292 -1.273 1.00 0.00 H new ATOM 34 N ILE A 8 4.977 11.347 -1.592 1.00 0.00 N ATOM 35 CA ILE A 8 5.196 9.971 -1.093 1.00 0.00 C ATOM 36 C ILE A 8 6.125 9.936 0.144 1.00 0.00 C ATOM 37 O ILE A 8 6.068 9.015 0.932 1.00 0.00 O ATOM 38 CB ILE A 8 5.818 9.185 -2.249 1.00 0.00 C ATOM 39 CG1 ILE A 8 5.738 7.696 -1.958 1.00 0.00 C ATOM 40 CG2 ILE A 8 7.264 9.601 -2.440 1.00 0.00 C ATOM 41 CD1 ILE A 8 6.250 6.899 -3.162 1.00 0.00 C ATOM 0 H ILE A 8 5.048 11.442 -2.605 1.00 0.00 H new ATOM 0 HA ILE A 8 4.250 9.538 -0.770 1.00 0.00 H new ATOM 0 HB ILE A 8 5.267 9.399 -3.165 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.330 7.457 -1.075 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.708 7.415 -1.737 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.699 9.037 -3.265 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.309 10.666 -2.666 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.824 9.399 -1.527 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.189 5.833 -2.945 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.639 7.127 -4.036 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.286 7.170 -3.363 1.00 0.00 H new ATOM 53 N TRP A 9 7.001 10.900 0.307 1.00 0.00 N ATOM 54 CA TRP A 9 7.949 10.875 1.485 1.00 0.00 C ATOM 55 C TRP A 9 7.354 11.628 2.689 1.00 0.00 C ATOM 56 O TRP A 9 7.981 11.711 3.727 1.00 0.00 O ATOM 57 CB TRP A 9 9.299 11.530 1.083 1.00 0.00 C ATOM 58 CG TRP A 9 9.063 12.440 -0.070 1.00 0.00 C ATOM 59 CD1 TRP A 9 8.582 13.700 0.012 1.00 0.00 C ATOM 60 CD2 TRP A 9 9.244 12.161 -1.479 1.00 0.00 C ATOM 61 NE1 TRP A 9 8.460 14.211 -1.262 1.00 0.00 N ATOM 62 CE2 TRP A 9 8.844 13.297 -2.216 1.00 0.00 C ATOM 63 CE3 TRP A 9 9.708 11.038 -2.183 1.00 0.00 C ATOM 64 CZ2 TRP A 9 8.893 13.319 -3.603 1.00 0.00 C ATOM 65 CZ3 TRP A 9 9.752 11.055 -3.583 1.00 0.00 C ATOM 66 CH2 TRP A 9 9.342 12.193 -4.288 1.00 0.00 C ATOM 0 H TRP A 9 7.106 11.701 -0.316 1.00 0.00 H new ATOM 0 HA TRP A 9 8.111 9.836 1.772 1.00 0.00 H new ATOM 0 HB2 TRP A 9 9.715 12.085 1.924 1.00 0.00 H new ATOM 0 HB3 TRP A 9 10.026 10.763 0.817 1.00 0.00 H new ATOM 0 HD1 TRP A 9 8.334 14.221 0.925 1.00 0.00 H new ATOM 0 HE1 TRP A 9 8.126 15.152 -1.472 1.00 0.00 H new ATOM 0 HE3 TRP A 9 10.031 10.160 -1.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 8.586 14.201 -4.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 10.104 10.187 -4.121 1.00 0.00 H new ATOM 0 HH2 TRP A 9 9.374 12.197 -5.368 1.00 0.00 H new ATOM 77 N GLU A 10 6.169 12.181 2.568 1.00 0.00 N ATOM 78 CA GLU A 10 5.558 12.935 3.721 1.00 0.00 C ATOM 79 C GLU A 10 4.266 12.243 4.171 1.00 0.00 C ATOM 80 O GLU A 10 3.678 12.605 5.171 1.00 0.00 O ATOM 81 CB GLU A 10 5.250 14.379 3.278 1.00 0.00 C ATOM 82 CG GLU A 10 6.486 15.263 3.481 1.00 0.00 C ATOM 83 CD GLU A 10 6.169 16.693 3.041 1.00 0.00 C ATOM 84 OE1 GLU A 10 4.996 17.017 2.950 1.00 0.00 O ATOM 85 OE2 GLU A 10 7.104 17.441 2.804 1.00 0.00 O ATOM 0 H GLU A 10 5.597 12.145 1.724 1.00 0.00 H new ATOM 0 HA GLU A 10 6.259 12.951 4.556 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.952 14.391 2.230 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.412 14.774 3.852 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.786 15.252 4.529 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.325 14.872 2.905 1.00 0.00 H new ATOM 92 N ARG A 11 3.820 11.253 3.451 1.00 0.00 N ATOM 93 CA ARG A 11 2.567 10.545 3.855 1.00 0.00 C ATOM 94 C ARG A 11 2.891 9.482 4.909 1.00 0.00 C ATOM 95 O ARG A 11 4.007 9.374 5.374 1.00 0.00 O ATOM 96 CB ARG A 11 1.903 9.883 2.630 1.00 0.00 C ATOM 97 CG ARG A 11 2.955 9.301 1.672 1.00 0.00 C ATOM 98 CD ARG A 11 3.770 8.189 2.356 1.00 0.00 C ATOM 99 NE ARG A 11 4.948 8.792 3.047 1.00 0.00 N ATOM 100 CZ ARG A 11 5.664 8.076 3.873 1.00 0.00 C ATOM 101 NH1 ARG A 11 5.349 6.830 4.099 1.00 0.00 N ATOM 102 NH2 ARG A 11 6.696 8.607 4.471 1.00 0.00 N ATOM 0 H ARG A 11 4.264 10.902 2.603 1.00 0.00 H new ATOM 0 HA ARG A 11 1.873 11.273 4.276 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.232 9.091 2.961 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.294 10.617 2.102 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.463 8.903 0.785 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.624 10.093 1.337 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.147 7.655 3.074 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.102 7.459 1.617 1.00 0.00 H new ATOM 0 HE ARG A 11 5.195 9.766 2.874 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.544 6.415 3.631 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.908 6.271 4.744 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.943 9.581 4.293 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.255 8.048 5.116 1.00 0.00 H new ATOM 116 N TYR A 12 1.913 8.693 5.281 1.00 0.00 N ATOM 117 CA TYR A 12 2.128 7.610 6.293 1.00 0.00 C ATOM 118 C TYR A 12 1.758 6.275 5.642 1.00 0.00 C ATOM 119 O TYR A 12 2.023 5.212 6.167 1.00 0.00 O ATOM 120 CB TYR A 12 1.237 7.859 7.515 1.00 0.00 C ATOM 121 CG TYR A 12 -0.170 8.174 7.061 1.00 0.00 C ATOM 122 CD1 TYR A 12 -0.453 9.412 6.471 1.00 0.00 C ATOM 123 CD2 TYR A 12 -1.188 7.227 7.223 1.00 0.00 C ATOM 124 CE1 TYR A 12 -1.754 9.702 6.044 1.00 0.00 C ATOM 125 CE2 TYR A 12 -2.489 7.518 6.798 1.00 0.00 C ATOM 126 CZ TYR A 12 -2.772 8.755 6.207 1.00 0.00 C ATOM 127 OH TYR A 12 -4.054 9.042 5.784 1.00 0.00 O ATOM 0 H TYR A 12 0.961 8.754 4.921 1.00 0.00 H new ATOM 0 HA TYR A 12 3.168 7.596 6.620 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.234 6.980 8.160 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.633 8.686 8.104 1.00 0.00 H new ATOM 0 HD1 TYR A 12 0.332 10.143 6.345 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.969 6.271 7.676 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -1.973 10.657 5.589 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.275 6.788 6.926 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.639 8.278 5.970 1.00 0.00 H new ATOM 137 N THR A 13 1.160 6.341 4.480 1.00 0.00 N ATOM 138 CA THR A 13 0.767 5.108 3.734 1.00 0.00 C ATOM 139 C THR A 13 0.952 5.393 2.238 1.00 0.00 C ATOM 140 O THR A 13 0.863 6.526 1.810 1.00 0.00 O ATOM 141 CB THR A 13 -0.708 4.770 4.030 1.00 0.00 C ATOM 142 OG1 THR A 13 -1.462 5.974 4.046 1.00 0.00 O ATOM 143 CG2 THR A 13 -0.863 4.063 5.397 1.00 0.00 C ATOM 0 H THR A 13 0.923 7.214 4.008 1.00 0.00 H new ATOM 0 HA THR A 13 1.381 4.260 4.038 1.00 0.00 H new ATOM 0 HB THR A 13 -1.068 4.096 3.253 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.537 6.301 4.967 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.915 3.839 5.574 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.290 3.136 5.394 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.493 4.715 6.188 1.00 0.00 H new ATOM 151 N LEU A 14 1.237 4.387 1.442 1.00 0.00 N ATOM 152 CA LEU A 14 1.463 4.622 -0.027 1.00 0.00 C ATOM 153 C LEU A 14 0.245 4.193 -0.846 1.00 0.00 C ATOM 154 O LEU A 14 -0.373 3.188 -0.592 1.00 0.00 O ATOM 155 CB LEU A 14 2.691 3.810 -0.483 1.00 0.00 C ATOM 156 CG LEU A 14 3.974 4.604 -0.221 1.00 0.00 C ATOM 157 CD1 LEU A 14 4.277 4.620 1.279 1.00 0.00 C ATOM 158 CD2 LEU A 14 5.137 3.952 -0.968 1.00 0.00 C ATOM 0 H LEU A 14 1.323 3.416 1.742 1.00 0.00 H new ATOM 0 HA LEU A 14 1.629 5.687 -0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.727 2.860 0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.609 3.577 -1.545 1.00 0.00 H new ATOM 0 HG LEU A 14 3.841 5.627 -0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.191 5.186 1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.449 5.087 1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.407 3.598 1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.051 4.516 -0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.266 2.928 -0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.925 3.946 -2.037 1.00 0.00 H new ATOM 170 N THR A 15 -0.080 4.956 -1.847 1.00 0.00 N ATOM 171 CA THR A 15 -1.241 4.611 -2.713 1.00 0.00 C ATOM 172 C THR A 15 -0.830 3.496 -3.669 1.00 0.00 C ATOM 173 O THR A 15 0.259 2.964 -3.588 1.00 0.00 O ATOM 174 CB THR A 15 -1.635 5.845 -3.532 1.00 0.00 C ATOM 175 OG1 THR A 15 -0.459 6.521 -3.943 1.00 0.00 O ATOM 176 CG2 THR A 15 -2.484 6.787 -2.689 1.00 0.00 C ATOM 0 H THR A 15 0.412 5.811 -2.106 1.00 0.00 H new ATOM 0 HA THR A 15 -2.081 4.287 -2.099 1.00 0.00 H new ATOM 0 HB THR A 15 -2.212 5.529 -4.401 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.701 7.374 -4.361 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.757 7.660 -3.282 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.388 6.271 -2.365 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.915 7.106 -1.815 1.00 0.00 H new ATOM 184 N ILE A 16 -1.685 3.153 -4.591 1.00 0.00 N ATOM 185 CA ILE A 16 -1.330 2.099 -5.559 1.00 0.00 C ATOM 186 C ILE A 16 -0.175 2.614 -6.418 1.00 0.00 C ATOM 187 O ILE A 16 0.762 1.903 -6.719 1.00 0.00 O ATOM 188 CB ILE A 16 -2.530 1.817 -6.471 1.00 0.00 C ATOM 189 CG1 ILE A 16 -3.670 1.129 -5.684 1.00 0.00 C ATOM 190 CG2 ILE A 16 -2.076 0.941 -7.645 1.00 0.00 C ATOM 191 CD1 ILE A 16 -3.455 -0.388 -5.607 1.00 0.00 C ATOM 0 H ILE A 16 -2.612 3.561 -4.710 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.048 1.187 -5.033 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.917 2.761 -6.854 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.721 1.543 -4.677 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.625 1.339 -6.164 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.926 0.737 -8.297 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.302 1.461 -8.209 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.677 0.001 -7.264 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.272 -0.843 -5.048 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.429 -0.803 -6.614 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.511 -0.597 -5.104 1.00 0.00 H new ATOM 203 N GLU A 17 -0.255 3.852 -6.825 1.00 0.00 N ATOM 204 CA GLU A 17 0.820 4.427 -7.678 1.00 0.00 C ATOM 205 C GLU A 17 2.090 4.584 -6.846 1.00 0.00 C ATOM 206 O GLU A 17 3.175 4.273 -7.295 1.00 0.00 O ATOM 207 CB GLU A 17 0.374 5.789 -8.233 1.00 0.00 C ATOM 208 CG GLU A 17 -0.466 6.523 -7.187 1.00 0.00 C ATOM 209 CD GLU A 17 -0.595 7.999 -7.572 1.00 0.00 C ATOM 210 OE1 GLU A 17 0.358 8.536 -8.113 1.00 0.00 O ATOM 211 OE2 GLU A 17 -1.644 8.568 -7.319 1.00 0.00 O ATOM 0 H GLU A 17 -1.020 4.489 -6.603 1.00 0.00 H new ATOM 0 HA GLU A 17 1.020 3.760 -8.516 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.246 6.387 -8.498 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.206 5.648 -9.145 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.454 6.068 -7.116 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.002 6.433 -6.205 1.00 0.00 H new ATOM 218 N GLU A 18 1.973 5.046 -5.631 1.00 0.00 N ATOM 219 CA GLU A 18 3.176 5.193 -4.795 1.00 0.00 C ATOM 220 C GLU A 18 3.728 3.795 -4.504 1.00 0.00 C ATOM 221 O GLU A 18 4.920 3.573 -4.520 1.00 0.00 O ATOM 222 CB GLU A 18 2.792 5.895 -3.492 1.00 0.00 C ATOM 223 CG GLU A 18 2.696 7.416 -3.702 1.00 0.00 C ATOM 224 CD GLU A 18 1.883 7.729 -4.960 1.00 0.00 C ATOM 225 OE1 GLU A 18 2.346 7.398 -6.039 1.00 0.00 O ATOM 226 OE2 GLU A 18 0.813 8.300 -4.824 1.00 0.00 O ATOM 0 H GLU A 18 1.096 5.324 -5.191 1.00 0.00 H new ATOM 0 HA GLU A 18 3.935 5.787 -5.304 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.837 5.511 -3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.532 5.675 -2.723 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.229 7.881 -2.834 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.696 7.841 -3.792 1.00 0.00 H new ATOM 233 N ALA A 19 2.865 2.845 -4.246 1.00 0.00 N ATOM 234 CA ALA A 19 3.345 1.461 -3.965 1.00 0.00 C ATOM 235 C ALA A 19 3.979 0.875 -5.222 1.00 0.00 C ATOM 236 O ALA A 19 5.093 0.407 -5.202 1.00 0.00 O ATOM 237 CB ALA A 19 2.179 0.571 -3.538 1.00 0.00 C ATOM 0 H ALA A 19 1.853 2.969 -4.218 1.00 0.00 H new ATOM 0 HA ALA A 19 4.079 1.504 -3.161 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.545 -0.436 -3.336 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.722 0.978 -2.636 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.438 0.535 -4.336 1.00 0.00 H new ATOM 243 N SER A 20 3.283 0.881 -6.322 1.00 0.00 N ATOM 244 CA SER A 20 3.882 0.307 -7.554 1.00 0.00 C ATOM 245 C SER A 20 5.278 0.908 -7.772 1.00 0.00 C ATOM 246 O SER A 20 6.191 0.234 -8.193 1.00 0.00 O ATOM 247 CB SER A 20 2.981 0.616 -8.741 1.00 0.00 C ATOM 248 OG SER A 20 3.123 1.984 -9.096 1.00 0.00 O ATOM 0 H SER A 20 2.338 1.253 -6.421 1.00 0.00 H new ATOM 0 HA SER A 20 3.977 -0.774 -7.452 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.244 -0.020 -9.586 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.943 0.400 -8.490 1.00 0.00 H new ATOM 0 HG SER A 20 3.089 2.537 -8.288 1.00 0.00 H new ATOM 254 N LYS A 21 5.460 2.165 -7.475 1.00 0.00 N ATOM 255 CA LYS A 21 6.811 2.782 -7.645 1.00 0.00 C ATOM 256 C LYS A 21 7.712 2.351 -6.478 1.00 0.00 C ATOM 257 O LYS A 21 8.740 1.731 -6.655 1.00 0.00 O ATOM 258 CB LYS A 21 6.678 4.307 -7.646 1.00 0.00 C ATOM 259 CG LYS A 21 8.069 4.944 -7.705 1.00 0.00 C ATOM 260 CD LYS A 21 7.940 6.430 -8.059 1.00 0.00 C ATOM 261 CE LYS A 21 6.978 7.113 -7.082 1.00 0.00 C ATOM 262 NZ LYS A 21 7.175 8.589 -7.142 1.00 0.00 N ATOM 0 H LYS A 21 4.736 2.792 -7.123 1.00 0.00 H new ATOM 0 HA LYS A 21 7.248 2.455 -8.588 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.083 4.630 -8.500 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.154 4.637 -6.749 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.573 4.831 -6.745 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.682 4.435 -8.449 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.918 6.910 -8.017 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.575 6.540 -9.080 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.948 6.862 -7.334 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.155 6.753 -6.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.522 9.054 -6.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.155 8.819 -6.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.985 8.926 -8.108 1.00 0.00 H new ATOM 276 N TYR A 22 7.309 2.697 -5.288 1.00 0.00 N ATOM 277 CA TYR A 22 8.081 2.357 -4.050 1.00 0.00 C ATOM 278 C TYR A 22 8.125 0.833 -3.853 1.00 0.00 C ATOM 279 O TYR A 22 9.174 0.224 -3.796 1.00 0.00 O ATOM 280 CB TYR A 22 7.311 3.000 -2.889 1.00 0.00 C ATOM 281 CG TYR A 22 8.197 3.341 -1.715 1.00 0.00 C ATOM 282 CD1 TYR A 22 8.924 4.536 -1.707 1.00 0.00 C ATOM 283 CD2 TYR A 22 8.237 2.491 -0.607 1.00 0.00 C ATOM 284 CE1 TYR A 22 9.695 4.879 -0.590 1.00 0.00 C ATOM 285 CE2 TYR A 22 9.010 2.823 0.508 1.00 0.00 C ATOM 286 CZ TYR A 22 9.739 4.021 0.520 1.00 0.00 C ATOM 287 OH TYR A 22 10.499 4.357 1.622 1.00 0.00 O ATOM 0 H TYR A 22 6.450 3.218 -5.113 1.00 0.00 H new ATOM 0 HA TYR A 22 9.108 2.716 -4.111 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.820 3.907 -3.243 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.525 2.320 -2.560 1.00 0.00 H new ATOM 0 HD1 TYR A 22 8.891 5.194 -2.563 1.00 0.00 H new ATOM 0 HD2 TYR A 22 7.668 1.573 -0.613 1.00 0.00 H new ATOM 0 HE1 TYR A 22 10.255 5.802 -0.582 1.00 0.00 H new ATOM 0 HE2 TYR A 22 9.046 2.159 1.359 1.00 0.00 H new ATOM 0 HH TYR A 22 10.418 3.655 2.301 1.00 0.00 H new ATOM 297 N PHE A 23 6.973 0.232 -3.752 1.00 0.00 N ATOM 298 CA PHE A 23 6.870 -1.241 -3.561 1.00 0.00 C ATOM 299 C PHE A 23 6.732 -1.903 -4.929 1.00 0.00 C ATOM 300 O PHE A 23 5.692 -2.427 -5.258 1.00 0.00 O ATOM 301 CB PHE A 23 5.622 -1.551 -2.719 1.00 0.00 C ATOM 302 CG PHE A 23 5.913 -1.301 -1.259 1.00 0.00 C ATOM 303 CD1 PHE A 23 6.452 -2.323 -0.477 1.00 0.00 C ATOM 304 CD2 PHE A 23 5.648 -0.049 -0.690 1.00 0.00 C ATOM 305 CE1 PHE A 23 6.728 -2.103 0.874 1.00 0.00 C ATOM 306 CE2 PHE A 23 5.923 0.177 0.665 1.00 0.00 C ATOM 307 CZ PHE A 23 6.465 -0.851 1.448 1.00 0.00 C ATOM 0 H PHE A 23 6.075 0.714 -3.795 1.00 0.00 H new ATOM 0 HA PHE A 23 7.758 -1.618 -3.053 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.789 -0.928 -3.045 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.321 -2.588 -2.867 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.656 -3.287 -0.918 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.232 0.742 -1.296 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.144 -2.897 1.477 1.00 0.00 H new ATOM 0 HE2 PHE A 23 5.718 1.142 1.105 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.680 -0.679 2.492 1.00 0.00 H new ATOM 317 N ARG A 24 7.760 -1.851 -5.736 1.00 0.00 N ATOM 318 CA ARG A 24 7.682 -2.455 -7.106 1.00 0.00 C ATOM 319 C ARG A 24 6.973 -3.809 -7.063 1.00 0.00 C ATOM 320 O ARG A 24 7.586 -4.852 -6.944 1.00 0.00 O ATOM 321 CB ARG A 24 9.091 -2.628 -7.698 1.00 0.00 C ATOM 322 CG ARG A 24 9.658 -1.264 -8.167 1.00 0.00 C ATOM 323 CD ARG A 24 10.448 -0.596 -7.036 1.00 0.00 C ATOM 324 NE ARG A 24 11.121 0.624 -7.561 1.00 0.00 N ATOM 325 CZ ARG A 24 11.605 1.509 -6.734 1.00 0.00 C ATOM 326 NH1 ARG A 24 11.500 1.325 -5.447 1.00 0.00 N ATOM 327 NH2 ARG A 24 12.194 2.579 -7.195 1.00 0.00 N ATOM 0 H ARG A 24 8.654 -1.416 -5.507 1.00 0.00 H new ATOM 0 HA ARG A 24 7.108 -1.778 -7.739 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.754 -3.066 -6.951 1.00 0.00 H new ATOM 0 HB3 ARG A 24 9.055 -3.321 -8.538 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.304 -1.410 -9.033 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.843 -0.613 -8.483 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.780 -0.333 -6.216 1.00 0.00 H new ATOM 0 HD3 ARG A 24 11.187 -1.289 -6.634 1.00 0.00 H new ATOM 0 HE ARG A 24 11.204 0.768 -8.567 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.039 0.489 -5.087 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.879 2.017 -4.800 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.276 2.723 -8.202 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.573 3.271 -6.549 1.00 0.00 H new ATOM 341 N ILE A 25 5.675 -3.780 -7.176 1.00 0.00 N ATOM 342 CA ILE A 25 4.860 -5.030 -7.166 1.00 0.00 C ATOM 343 C ILE A 25 3.791 -4.876 -8.265 1.00 0.00 C ATOM 344 O ILE A 25 3.529 -3.786 -8.732 1.00 0.00 O ATOM 345 CB ILE A 25 4.212 -5.201 -5.750 1.00 0.00 C ATOM 346 CG1 ILE A 25 5.021 -6.204 -4.877 1.00 0.00 C ATOM 347 CG2 ILE A 25 2.761 -5.703 -5.850 1.00 0.00 C ATOM 348 CD1 ILE A 25 6.217 -5.516 -4.195 1.00 0.00 C ATOM 0 H ILE A 25 5.131 -2.923 -7.277 1.00 0.00 H new ATOM 0 HA ILE A 25 5.461 -5.918 -7.363 1.00 0.00 H new ATOM 0 HB ILE A 25 4.223 -4.216 -5.284 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.368 -6.638 -4.120 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.378 -7.025 -5.499 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.343 -5.810 -4.849 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.166 -4.986 -6.417 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.744 -6.669 -6.355 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.761 -6.244 -3.593 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.882 -5.104 -4.955 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.857 -4.712 -3.554 1.00 0.00 H new ATOM 360 N GLY A 26 3.171 -5.948 -8.675 1.00 0.00 N ATOM 361 CA GLY A 26 2.124 -5.838 -9.732 1.00 0.00 C ATOM 362 C GLY A 26 0.981 -4.948 -9.233 1.00 0.00 C ATOM 363 O GLY A 26 0.400 -5.192 -8.195 1.00 0.00 O ATOM 0 H GLY A 26 3.342 -6.891 -8.327 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.554 -5.419 -10.642 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.744 -6.828 -9.986 1.00 0.00 H new ATOM 367 N GLU A 27 0.656 -3.917 -9.966 1.00 0.00 N ATOM 368 CA GLU A 27 -0.448 -3.007 -9.539 1.00 0.00 C ATOM 369 C GLU A 27 -1.689 -3.829 -9.173 1.00 0.00 C ATOM 370 O GLU A 27 -2.260 -3.675 -8.111 1.00 0.00 O ATOM 371 CB GLU A 27 -0.800 -2.065 -10.691 1.00 0.00 C ATOM 372 CG GLU A 27 0.411 -1.201 -11.041 1.00 0.00 C ATOM 373 CD GLU A 27 -0.017 -0.089 -12.001 1.00 0.00 C ATOM 374 OE1 GLU A 27 -1.174 0.296 -11.952 1.00 0.00 O ATOM 375 OE2 GLU A 27 0.818 0.357 -12.770 1.00 0.00 O ATOM 0 H GLU A 27 1.108 -3.665 -10.845 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.123 -2.433 -8.671 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.111 -2.641 -11.562 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.642 -1.431 -10.411 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.838 -0.770 -10.135 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.188 -1.813 -11.499 1.00 0.00 H new ATOM 382 N ASN A 28 -2.114 -4.690 -10.057 1.00 0.00 N ATOM 383 CA ASN A 28 -3.324 -5.520 -9.788 1.00 0.00 C ATOM 384 C ASN A 28 -3.098 -6.384 -8.548 1.00 0.00 C ATOM 385 O ASN A 28 -4.029 -6.891 -7.954 1.00 0.00 O ATOM 386 CB ASN A 28 -3.591 -6.422 -10.995 1.00 0.00 C ATOM 387 CG ASN A 28 -2.264 -6.961 -11.532 1.00 0.00 C ATOM 388 OD1 ASN A 28 -1.439 -6.210 -12.013 1.00 0.00 O ATOM 389 ND2 ASN A 28 -2.021 -8.243 -11.471 1.00 0.00 N ATOM 0 H ASN A 28 -1.672 -4.856 -10.961 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.180 -4.867 -9.616 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.242 -7.248 -10.708 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.110 -5.862 -11.773 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.139 -8.612 -11.827 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.713 -8.875 -11.067 1.00 0.00 H new ATOM 396 N LYS A 29 -1.873 -6.551 -8.147 1.00 0.00 N ATOM 397 CA LYS A 29 -1.597 -7.377 -6.940 1.00 0.00 C ATOM 398 C LYS A 29 -2.193 -6.657 -5.728 1.00 0.00 C ATOM 399 O LYS A 29 -2.765 -7.261 -4.846 1.00 0.00 O ATOM 400 CB LYS A 29 -0.075 -7.530 -6.775 1.00 0.00 C ATOM 401 CG LYS A 29 0.251 -8.775 -5.937 1.00 0.00 C ATOM 402 CD LYS A 29 -0.255 -8.597 -4.488 1.00 0.00 C ATOM 403 CE LYS A 29 0.665 -9.344 -3.518 1.00 0.00 C ATOM 404 NZ LYS A 29 0.661 -10.798 -3.845 1.00 0.00 N ATOM 0 H LYS A 29 -1.051 -6.153 -8.600 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.041 -8.368 -7.034 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.397 -7.609 -7.754 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.336 -6.642 -6.294 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.212 -9.654 -6.385 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.327 -8.948 -5.934 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.285 -7.538 -4.232 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.274 -8.975 -4.400 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.679 -8.949 -3.585 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.330 -9.191 -2.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.100 -11.330 -3.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.319 -11.122 -3.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.199 -10.958 -4.721 1.00 0.00 H new ATOM 418 N LEU A 30 -2.077 -5.360 -5.702 1.00 0.00 N ATOM 419 CA LEU A 30 -2.644 -4.567 -4.575 1.00 0.00 C ATOM 420 C LEU A 30 -4.170 -4.578 -4.669 1.00 0.00 C ATOM 421 O LEU A 30 -4.857 -5.034 -3.777 1.00 0.00 O ATOM 422 CB LEU A 30 -2.147 -3.126 -4.686 1.00 0.00 C ATOM 423 CG LEU A 30 -0.694 -3.002 -4.191 1.00 0.00 C ATOM 424 CD1 LEU A 30 0.165 -4.138 -4.744 1.00 0.00 C ATOM 425 CD2 LEU A 30 -0.094 -1.665 -4.657 1.00 0.00 C ATOM 0 H LEU A 30 -1.609 -4.809 -6.421 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.332 -4.998 -3.624 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.211 -2.795 -5.722 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.791 -2.470 -4.101 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.704 -3.052 -3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.187 -4.031 -4.382 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.239 -5.094 -4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.160 -4.101 -5.833 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.934 -1.584 -4.303 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.107 -1.620 -5.746 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.683 -0.841 -4.253 1.00 0.00 H new ATOM 437 N ARG A 31 -4.702 -4.064 -5.745 1.00 0.00 N ATOM 438 CA ARG A 31 -6.183 -4.025 -5.909 1.00 0.00 C ATOM 439 C ARG A 31 -6.792 -5.371 -5.510 1.00 0.00 C ATOM 440 O ARG A 31 -7.859 -5.430 -4.935 1.00 0.00 O ATOM 441 CB ARG A 31 -6.525 -3.732 -7.371 1.00 0.00 C ATOM 442 CG ARG A 31 -5.995 -2.350 -7.757 1.00 0.00 C ATOM 443 CD ARG A 31 -6.543 -1.959 -9.130 1.00 0.00 C ATOM 444 NE ARG A 31 -8.019 -1.774 -9.041 1.00 0.00 N ATOM 445 CZ ARG A 31 -8.660 -1.170 -10.003 1.00 0.00 C ATOM 446 NH1 ARG A 31 -8.010 -0.735 -11.047 1.00 0.00 N ATOM 447 NH2 ARG A 31 -9.952 -1.001 -9.921 1.00 0.00 N ATOM 0 H ARG A 31 -4.172 -3.668 -6.521 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.590 -3.243 -5.268 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.087 -4.493 -8.017 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.604 -3.772 -7.517 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.293 -1.613 -7.011 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.905 -2.359 -7.778 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.070 -1.039 -9.474 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.306 -2.731 -9.862 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.528 -2.120 -8.228 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.001 -0.867 -11.111 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.511 -0.263 -11.799 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.460 -1.341 -9.105 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.453 -0.529 -10.673 1.00 0.00 H new ATOM 461 N ARG A 32 -6.128 -6.453 -5.814 1.00 0.00 N ATOM 462 CA ARG A 32 -6.684 -7.788 -5.455 1.00 0.00 C ATOM 463 C ARG A 32 -6.452 -8.075 -3.971 1.00 0.00 C ATOM 464 O ARG A 32 -7.339 -8.522 -3.276 1.00 0.00 O ATOM 465 CB ARG A 32 -6.005 -8.875 -6.297 1.00 0.00 C ATOM 466 CG ARG A 32 -6.548 -10.274 -5.896 1.00 0.00 C ATOM 467 CD ARG A 32 -6.817 -11.117 -7.148 1.00 0.00 C ATOM 468 NE ARG A 32 -5.541 -11.351 -7.878 1.00 0.00 N ATOM 469 CZ ARG A 32 -5.472 -12.289 -8.784 1.00 0.00 C ATOM 470 NH1 ARG A 32 -6.520 -13.020 -9.046 1.00 0.00 N ATOM 471 NH2 ARG A 32 -4.355 -12.495 -9.426 1.00 0.00 N ATOM 0 H ARG A 32 -5.228 -6.470 -6.294 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.756 -7.787 -5.655 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.189 -8.694 -7.356 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -4.926 -8.839 -6.150 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.827 -10.782 -5.255 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.466 -10.164 -5.319 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.267 -12.069 -6.867 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.530 -10.607 -7.796 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.722 -10.780 -7.671 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.393 -12.859 -8.543 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.467 -13.753 -9.754 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.536 -11.923 -9.220 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.301 -13.228 -10.134 1.00 0.00 H new ATOM 485 N LEU A 33 -5.268 -7.833 -3.482 1.00 0.00 N ATOM 486 CA LEU A 33 -4.987 -8.108 -2.044 1.00 0.00 C ATOM 487 C LEU A 33 -5.922 -7.264 -1.169 1.00 0.00 C ATOM 488 O LEU A 33 -6.469 -7.739 -0.193 1.00 0.00 O ATOM 489 CB LEU A 33 -3.516 -7.760 -1.744 1.00 0.00 C ATOM 490 CG LEU A 33 -2.987 -8.608 -0.570 1.00 0.00 C ATOM 491 CD1 LEU A 33 -2.578 -10.006 -1.059 1.00 0.00 C ATOM 492 CD2 LEU A 33 -1.763 -7.921 0.045 1.00 0.00 C ATOM 0 H LEU A 33 -4.483 -7.457 -4.014 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.159 -9.162 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.907 -7.936 -2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.429 -6.701 -1.503 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.778 -8.705 0.174 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.207 -10.592 -0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.442 -10.506 -1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.794 -9.914 -1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.388 -8.520 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.984 -7.821 -0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.045 -6.933 0.409 1.00 0.00 H new ATOM 504 N ALA A 34 -6.113 -6.021 -1.511 1.00 0.00 N ATOM 505 CA ALA A 34 -7.018 -5.158 -0.700 1.00 0.00 C ATOM 506 C ALA A 34 -8.459 -5.643 -0.859 1.00 0.00 C ATOM 507 O ALA A 34 -9.075 -6.116 0.075 1.00 0.00 O ATOM 508 CB ALA A 34 -6.914 -3.712 -1.189 1.00 0.00 C ATOM 0 H ALA A 34 -5.683 -5.565 -2.316 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.728 -5.211 0.349 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.575 -3.079 -0.597 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.887 -3.364 -1.081 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.206 -3.661 -2.238 1.00 0.00 H new ATOM 514 N GLU A 35 -8.999 -5.527 -2.039 1.00 0.00 N ATOM 515 CA GLU A 35 -10.399 -5.975 -2.270 1.00 0.00 C ATOM 516 C GLU A 35 -10.574 -7.411 -1.772 1.00 0.00 C ATOM 517 O GLU A 35 -11.679 -7.889 -1.606 1.00 0.00 O ATOM 518 CB GLU A 35 -10.702 -5.916 -3.767 1.00 0.00 C ATOM 519 CG GLU A 35 -10.817 -4.457 -4.212 1.00 0.00 C ATOM 520 CD GLU A 35 -11.300 -4.405 -5.663 1.00 0.00 C ATOM 521 OE1 GLU A 35 -10.604 -4.927 -6.518 1.00 0.00 O ATOM 522 OE2 GLU A 35 -12.359 -3.844 -5.894 1.00 0.00 O ATOM 0 H GLU A 35 -8.529 -5.139 -2.857 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.083 -5.323 -1.727 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.912 -6.416 -4.328 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.630 -6.446 -3.981 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.513 -3.922 -3.566 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.851 -3.960 -4.121 1.00 0.00 H new ATOM 529 N GLU A 36 -9.495 -8.107 -1.531 1.00 0.00 N ATOM 530 CA GLU A 36 -9.601 -9.507 -1.046 1.00 0.00 C ATOM 531 C GLU A 36 -9.773 -9.496 0.476 1.00 0.00 C ATOM 532 O GLU A 36 -10.364 -10.390 1.049 1.00 0.00 O ATOM 533 CB GLU A 36 -8.320 -10.258 -1.434 1.00 0.00 C ATOM 534 CG GLU A 36 -8.208 -11.551 -0.631 1.00 0.00 C ATOM 535 CD GLU A 36 -7.182 -12.481 -1.285 1.00 0.00 C ATOM 536 OE1 GLU A 36 -7.561 -13.206 -2.189 1.00 0.00 O ATOM 537 OE2 GLU A 36 -6.035 -12.452 -0.870 1.00 0.00 O ATOM 0 H GLU A 36 -8.543 -7.762 -1.651 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.460 -10.005 -1.495 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.329 -10.483 -2.501 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.450 -9.629 -1.248 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.910 -11.329 0.394 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.179 -12.044 -0.581 1.00 0.00 H new ATOM 544 N ASN A 37 -9.255 -8.488 1.132 1.00 0.00 N ATOM 545 CA ASN A 37 -9.372 -8.402 2.621 1.00 0.00 C ATOM 546 C ASN A 37 -9.790 -6.985 3.018 1.00 0.00 C ATOM 547 O ASN A 37 -9.050 -6.270 3.661 1.00 0.00 O ATOM 548 CB ASN A 37 -8.016 -8.723 3.253 1.00 0.00 C ATOM 549 CG ASN A 37 -7.720 -10.215 3.099 1.00 0.00 C ATOM 550 OD1 ASN A 37 -8.454 -11.046 3.594 1.00 0.00 O ATOM 551 ND2 ASN A 37 -6.666 -10.591 2.427 1.00 0.00 N ATOM 0 H ASN A 37 -8.752 -7.715 0.697 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.119 -9.115 2.970 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.232 -8.135 2.775 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.021 -8.450 4.308 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.458 -11.584 2.317 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.050 -9.892 2.012 1.00 0.00 H new ATOM 558 N LYS A 38 -10.971 -6.574 2.642 1.00 0.00 N ATOM 559 CA LYS A 38 -11.437 -5.202 3.005 1.00 0.00 C ATOM 560 C LYS A 38 -11.146 -4.935 4.486 1.00 0.00 C ATOM 561 O LYS A 38 -11.118 -3.805 4.930 1.00 0.00 O ATOM 562 CB LYS A 38 -12.945 -5.096 2.767 1.00 0.00 C ATOM 563 CG LYS A 38 -13.272 -5.405 1.300 1.00 0.00 C ATOM 564 CD LYS A 38 -12.843 -4.237 0.398 1.00 0.00 C ATOM 565 CE LYS A 38 -13.561 -4.339 -0.950 1.00 0.00 C ATOM 566 NZ LYS A 38 -15.019 -4.101 -0.752 1.00 0.00 N ATOM 0 H LYS A 38 -11.634 -7.128 2.099 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.913 -4.471 2.390 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.473 -5.791 3.419 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.291 -4.094 3.021 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.762 -6.317 0.991 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.341 -5.585 1.189 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.081 -3.288 0.877 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.763 -4.257 0.249 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.153 -3.608 -1.648 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.398 -5.324 -1.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.424 -3.689 -1.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.493 -5.003 -0.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.159 -3.445 0.043 1.00 0.00 H new ATOM 580 N ASN A 39 -10.939 -5.975 5.253 1.00 0.00 N ATOM 581 CA ASN A 39 -10.660 -5.808 6.711 1.00 0.00 C ATOM 582 C ASN A 39 -9.158 -5.952 6.967 1.00 0.00 C ATOM 583 O ASN A 39 -8.722 -6.096 8.091 1.00 0.00 O ATOM 584 CB ASN A 39 -11.413 -6.892 7.485 1.00 0.00 C ATOM 585 CG ASN A 39 -12.899 -6.536 7.550 1.00 0.00 C ATOM 586 OD1 ASN A 39 -13.511 -6.139 6.468 1.00 0.00 O flip ATOM 587 ND2 ASN A 39 -13.511 -6.620 8.597 1.00 0.00 N flip ATOM 0 H ASN A 39 -10.952 -6.942 4.928 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.987 -4.821 7.038 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.281 -7.859 6.999 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.006 -6.983 8.492 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.034 -6.930 9.443 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -14.502 -6.380 8.629 1.00 0.00 H new ATOM 594 N ALA A 40 -8.364 -5.912 5.935 1.00 0.00 N ATOM 595 CA ALA A 40 -6.894 -6.045 6.124 1.00 0.00 C ATOM 596 C ALA A 40 -6.427 -5.010 7.154 1.00 0.00 C ATOM 597 O ALA A 40 -6.961 -3.926 7.247 1.00 0.00 O ATOM 598 CB ALA A 40 -6.186 -5.806 4.782 1.00 0.00 C ATOM 0 H ALA A 40 -8.669 -5.793 4.969 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.652 -7.046 6.482 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.109 -5.903 4.917 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.528 -6.542 4.054 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.418 -4.804 4.422 1.00 0.00 H new ATOM 604 N ASN A 41 -5.440 -5.337 7.933 1.00 0.00 N ATOM 605 CA ASN A 41 -4.941 -4.367 8.945 1.00 0.00 C ATOM 606 C ASN A 41 -4.034 -3.334 8.268 1.00 0.00 C ATOM 607 O ASN A 41 -3.764 -2.278 8.806 1.00 0.00 O ATOM 608 CB ASN A 41 -4.143 -5.115 10.011 1.00 0.00 C ATOM 609 CG ASN A 41 -3.024 -5.917 9.345 1.00 0.00 C ATOM 610 OD1 ASN A 41 -1.927 -5.308 8.987 1.00 0.00 O flip ATOM 611 ND2 ASN A 41 -3.148 -7.109 9.150 1.00 0.00 N flip ATOM 0 H ASN A 41 -4.955 -6.234 7.914 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.788 -3.859 9.406 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.722 -4.409 10.727 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.799 -5.782 10.570 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.006 -7.585 9.430 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.395 -7.634 8.706 1.00 0.00 H new ATOM 618 N TRP A 42 -3.524 -3.656 7.108 1.00 0.00 N ATOM 619 CA TRP A 42 -2.582 -2.729 6.397 1.00 0.00 C ATOM 620 C TRP A 42 -3.284 -1.908 5.299 1.00 0.00 C ATOM 621 O TRP A 42 -2.731 -0.942 4.812 1.00 0.00 O ATOM 622 CB TRP A 42 -1.483 -3.572 5.750 1.00 0.00 C ATOM 623 CG TRP A 42 -2.121 -4.700 5.009 1.00 0.00 C ATOM 624 CD1 TRP A 42 -2.283 -5.953 5.490 1.00 0.00 C ATOM 625 CD2 TRP A 42 -2.699 -4.696 3.672 1.00 0.00 C ATOM 626 NE1 TRP A 42 -2.925 -6.719 4.535 1.00 0.00 N ATOM 627 CE2 TRP A 42 -3.202 -5.988 3.396 1.00 0.00 C ATOM 628 CE3 TRP A 42 -2.834 -3.706 2.683 1.00 0.00 C ATOM 629 CZ2 TRP A 42 -3.819 -6.289 2.183 1.00 0.00 C ATOM 630 CZ3 TRP A 42 -3.454 -4.004 1.459 1.00 0.00 C ATOM 631 CH2 TRP A 42 -3.946 -5.292 1.209 1.00 0.00 C ATOM 0 H TRP A 42 -3.719 -4.528 6.616 1.00 0.00 H new ATOM 0 HA TRP A 42 -2.180 -2.027 7.128 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.889 -2.961 5.070 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.803 -3.956 6.511 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.963 -6.299 6.462 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -3.165 -7.703 4.656 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.458 -2.710 2.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -4.196 -7.284 1.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.552 -3.236 0.706 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.423 -5.515 0.266 1.00 0.00 H new ATOM 642 N LEU A 43 -4.469 -2.272 4.872 1.00 0.00 N ATOM 643 CA LEU A 43 -5.132 -1.489 3.782 1.00 0.00 C ATOM 644 C LEU A 43 -5.996 -0.376 4.386 1.00 0.00 C ATOM 645 O LEU A 43 -6.384 -0.424 5.536 1.00 0.00 O ATOM 646 CB LEU A 43 -5.969 -2.470 2.919 1.00 0.00 C ATOM 647 CG LEU A 43 -7.479 -2.495 3.299 1.00 0.00 C ATOM 648 CD1 LEU A 43 -7.689 -2.642 4.829 1.00 0.00 C ATOM 649 CD2 LEU A 43 -8.206 -1.227 2.762 1.00 0.00 C ATOM 0 H LEU A 43 -5.001 -3.067 5.226 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.390 -1.006 3.146 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.871 -2.193 1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.559 -3.475 3.023 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.918 -3.373 2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.756 -2.655 5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.236 -3.573 5.171 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.222 -1.802 5.343 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.259 -1.267 3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.750 -0.336 3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.118 -1.190 1.676 1.00 0.00 H new ATOM 661 N ILE A 44 -6.281 0.640 3.614 1.00 0.00 N ATOM 662 CA ILE A 44 -7.105 1.773 4.113 1.00 0.00 C ATOM 663 C ILE A 44 -8.060 2.195 2.990 1.00 0.00 C ATOM 664 O ILE A 44 -7.761 2.040 1.823 1.00 0.00 O ATOM 665 CB ILE A 44 -6.160 2.930 4.489 1.00 0.00 C ATOM 666 CG1 ILE A 44 -5.640 2.724 5.918 1.00 0.00 C ATOM 667 CG2 ILE A 44 -6.889 4.273 4.402 1.00 0.00 C ATOM 668 CD1 ILE A 44 -4.411 3.603 6.145 1.00 0.00 C ATOM 0 H ILE A 44 -5.972 0.731 2.646 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.686 1.491 4.991 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.325 2.939 3.788 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.418 2.975 6.639 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.385 1.676 6.076 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.204 5.077 4.671 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.247 4.427 3.384 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.736 4.273 5.088 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.042 3.457 7.160 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.632 3.331 5.433 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.681 4.650 6.005 1.00 0.00 H new ATOM 680 N MET A 45 -9.206 2.725 3.341 1.00 0.00 N ATOM 681 CA MET A 45 -10.200 3.164 2.309 1.00 0.00 C ATOM 682 C MET A 45 -10.462 4.667 2.471 1.00 0.00 C ATOM 683 O MET A 45 -10.552 5.180 3.568 1.00 0.00 O ATOM 684 CB MET A 45 -11.512 2.360 2.504 1.00 0.00 C ATOM 685 CG MET A 45 -11.709 1.370 1.348 1.00 0.00 C ATOM 686 SD MET A 45 -12.141 2.291 -0.151 1.00 0.00 S ATOM 687 CE MET A 45 -11.819 0.970 -1.344 1.00 0.00 C ATOM 0 H MET A 45 -9.499 2.874 4.307 1.00 0.00 H new ATOM 0 HA MET A 45 -9.815 2.980 1.306 1.00 0.00 H new ATOM 0 HB2 MET A 45 -11.479 1.821 3.451 1.00 0.00 H new ATOM 0 HB3 MET A 45 -12.360 3.043 2.555 1.00 0.00 H new ATOM 0 HG2 MET A 45 -10.798 0.794 1.186 1.00 0.00 H new ATOM 0 HG3 MET A 45 -12.497 0.658 1.592 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.046 1.291 -2.043 1.00 0.00 H new ATOM 0 HE2 MET A 45 -11.483 0.077 -0.817 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.733 0.744 -1.893 1.00 0.00 H new ATOM 697 N ASN A 46 -10.586 5.368 1.378 1.00 0.00 N ATOM 698 CA ASN A 46 -10.845 6.836 1.446 1.00 0.00 C ATOM 699 C ASN A 46 -11.581 7.269 0.178 1.00 0.00 C ATOM 700 O ASN A 46 -11.000 7.840 -0.725 1.00 0.00 O ATOM 701 CB ASN A 46 -9.516 7.587 1.550 1.00 0.00 C ATOM 702 CG ASN A 46 -8.946 7.427 2.960 1.00 0.00 C ATOM 703 OD1 ASN A 46 -7.862 6.905 3.134 1.00 0.00 O ATOM 704 ND2 ASN A 46 -9.633 7.857 3.983 1.00 0.00 N ATOM 0 H ASN A 46 -10.519 4.986 0.435 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.453 7.063 2.321 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.810 7.201 0.815 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.665 8.643 1.324 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -9.260 7.755 4.927 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.543 8.295 3.839 1.00 0.00 H new ATOM 711 N GLY A 47 -12.853 6.991 0.097 1.00 0.00 N ATOM 712 CA GLY A 47 -13.625 7.374 -1.117 1.00 0.00 C ATOM 713 C GLY A 47 -13.426 6.312 -2.186 1.00 0.00 C ATOM 714 O GLY A 47 -14.251 5.442 -2.377 1.00 0.00 O ATOM 0 H GLY A 47 -13.391 6.514 0.821 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.683 7.471 -0.875 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.292 8.345 -1.484 1.00 0.00 H new ATOM 718 N ASN A 48 -12.335 6.383 -2.893 1.00 0.00 N ATOM 719 CA ASN A 48 -12.075 5.385 -3.963 1.00 0.00 C ATOM 720 C ASN A 48 -10.567 5.176 -4.119 1.00 0.00 C ATOM 721 O ASN A 48 -10.115 4.545 -5.055 1.00 0.00 O ATOM 722 CB ASN A 48 -12.661 5.917 -5.266 1.00 0.00 C ATOM 723 CG ASN A 48 -12.433 4.899 -6.384 1.00 0.00 C ATOM 724 OD1 ASN A 48 -12.015 5.254 -7.469 1.00 0.00 O ATOM 725 ND2 ASN A 48 -12.690 3.639 -6.163 1.00 0.00 N ATOM 0 H ASN A 48 -11.611 7.091 -2.775 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.535 4.430 -3.707 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.727 6.108 -5.146 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.195 6.867 -5.525 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.540 2.951 -6.901 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.041 3.342 -5.252 1.00 0.00 H new ATOM 732 N ARG A 49 -9.784 5.710 -3.212 1.00 0.00 N ATOM 733 CA ARG A 49 -8.295 5.559 -3.298 1.00 0.00 C ATOM 734 C ARG A 49 -7.807 4.613 -2.197 1.00 0.00 C ATOM 735 O ARG A 49 -7.953 4.884 -1.021 1.00 0.00 O ATOM 736 CB ARG A 49 -7.637 6.932 -3.113 1.00 0.00 C ATOM 737 CG ARG A 49 -8.340 7.969 -4.004 1.00 0.00 C ATOM 738 CD ARG A 49 -8.198 7.586 -5.491 1.00 0.00 C ATOM 739 NE ARG A 49 -7.950 8.818 -6.306 1.00 0.00 N ATOM 740 CZ ARG A 49 -8.681 9.891 -6.155 1.00 0.00 C ATOM 741 NH1 ARG A 49 -9.743 9.872 -5.397 1.00 0.00 N ATOM 742 NH2 ARG A 49 -8.372 10.980 -6.805 1.00 0.00 N ATOM 0 H ARG A 49 -10.114 6.248 -2.410 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.028 5.148 -4.272 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.696 7.236 -2.068 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.579 6.876 -3.369 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.395 8.031 -3.737 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.909 8.956 -3.833 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.376 6.882 -5.619 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.103 7.086 -5.836 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.196 8.820 -6.993 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.010 9.014 -4.915 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.306 10.715 -5.287 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.564 10.991 -7.427 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.939 11.820 -6.691 1.00 0.00 H new ATOM 756 N ILE A 50 -7.222 3.506 -2.570 1.00 0.00 N ATOM 757 CA ILE A 50 -6.716 2.542 -1.549 1.00 0.00 C ATOM 758 C ILE A 50 -5.324 2.978 -1.089 1.00 0.00 C ATOM 759 O ILE A 50 -4.457 3.253 -1.895 1.00 0.00 O ATOM 760 CB ILE A 50 -6.629 1.143 -2.167 1.00 0.00 C ATOM 761 CG1 ILE A 50 -7.972 0.783 -2.807 1.00 0.00 C ATOM 762 CG2 ILE A 50 -6.293 0.117 -1.080 1.00 0.00 C ATOM 763 CD1 ILE A 50 -7.893 -0.624 -3.405 1.00 0.00 C ATOM 0 H ILE A 50 -7.072 3.227 -3.540 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.396 2.523 -0.697 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.847 1.134 -2.927 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.766 0.829 -2.061 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.222 1.506 -3.583 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.232 -0.877 -1.524 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.336 0.370 -0.624 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.072 0.127 -0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.850 -0.880 -3.861 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.110 -0.654 -4.163 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.663 -1.342 -2.618 1.00 0.00 H new ATOM 775 N GLN A 51 -5.099 3.033 0.203 1.00 0.00 N ATOM 776 CA GLN A 51 -3.754 3.443 0.727 1.00 0.00 C ATOM 777 C GLN A 51 -3.028 2.192 1.247 1.00 0.00 C ATOM 778 O GLN A 51 -3.575 1.409 2.001 1.00 0.00 O ATOM 779 CB GLN A 51 -3.938 4.467 1.884 1.00 0.00 C ATOM 780 CG GLN A 51 -3.432 5.870 1.487 1.00 0.00 C ATOM 781 CD GLN A 51 -1.945 5.819 1.113 1.00 0.00 C ATOM 782 OE1 GLN A 51 -1.356 4.763 1.075 1.00 0.00 O ATOM 783 NE2 GLN A 51 -1.309 6.930 0.833 1.00 0.00 N ATOM 0 H GLN A 51 -5.790 2.811 0.920 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.167 3.907 -0.066 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.992 4.523 2.157 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.399 4.121 2.766 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.012 6.247 0.645 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.581 6.564 2.314 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.803 7.822 0.864 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.320 6.903 0.584 1.00 0.00 H new ATOM 792 N ILE A 52 -1.797 2.015 0.854 1.00 0.00 N ATOM 793 CA ILE A 52 -1.005 0.839 1.320 1.00 0.00 C ATOM 794 C ILE A 52 -0.217 1.245 2.561 1.00 0.00 C ATOM 795 O ILE A 52 0.299 2.341 2.641 1.00 0.00 O ATOM 796 CB ILE A 52 -0.006 0.424 0.233 1.00 0.00 C ATOM 797 CG1 ILE A 52 -0.738 0.138 -1.089 1.00 0.00 C ATOM 798 CG2 ILE A 52 0.756 -0.822 0.690 1.00 0.00 C ATOM 799 CD1 ILE A 52 -1.874 -0.863 -0.873 1.00 0.00 C ATOM 0 H ILE A 52 -1.299 2.642 0.222 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.679 0.011 1.539 1.00 0.00 H new ATOM 0 HB ILE A 52 0.698 1.240 0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.138 1.066 -1.497 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.034 -0.256 -1.822 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.466 -1.118 -0.082 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.293 -0.602 1.612 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.052 -1.635 0.866 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.378 -1.051 -1.821 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.467 -1.798 -0.487 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.587 -0.455 -0.157 1.00 0.00 H new ATOM 811 N LYS A 53 -0.101 0.379 3.528 1.00 0.00 N ATOM 812 CA LYS A 53 0.673 0.751 4.742 1.00 0.00 C ATOM 813 C LYS A 53 2.161 0.630 4.437 1.00 0.00 C ATOM 814 O LYS A 53 2.576 -0.164 3.621 1.00 0.00 O ATOM 815 CB LYS A 53 0.306 -0.170 5.913 1.00 0.00 C ATOM 816 CG LYS A 53 0.701 0.501 7.246 1.00 0.00 C ATOM 817 CD LYS A 53 -0.360 1.553 7.693 1.00 0.00 C ATOM 818 CE LYS A 53 -0.925 1.191 9.076 1.00 0.00 C ATOM 819 NZ LYS A 53 0.185 1.143 10.070 1.00 0.00 N ATOM 0 H LYS A 53 -0.503 -0.558 3.531 1.00 0.00 H new ATOM 0 HA LYS A 53 0.434 1.777 5.022 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.764 -0.379 5.903 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.818 -1.127 5.810 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.809 -0.260 8.019 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.672 0.985 7.137 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.093 2.544 7.726 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.168 1.596 6.963 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.669 1.927 9.381 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.431 0.226 9.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.249 0.186 10.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.082 1.382 9.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.001 1.827 10.831 1.00 0.00 H new ATOM 833 N ARG A 54 2.964 1.425 5.083 1.00 0.00 N ATOM 834 CA ARG A 54 4.435 1.381 4.846 1.00 0.00 C ATOM 835 C ARG A 54 5.104 0.653 6.017 1.00 0.00 C ATOM 836 O ARG A 54 6.121 0.014 5.864 1.00 0.00 O ATOM 837 CB ARG A 54 4.962 2.815 4.776 1.00 0.00 C ATOM 838 CG ARG A 54 6.448 2.809 4.405 1.00 0.00 C ATOM 839 CD ARG A 54 7.004 4.233 4.481 1.00 0.00 C ATOM 840 NE ARG A 54 8.492 4.176 4.534 1.00 0.00 N ATOM 841 CZ ARG A 54 9.197 5.252 4.316 1.00 0.00 C ATOM 842 NH1 ARG A 54 8.600 6.381 4.049 1.00 0.00 N ATOM 843 NH2 ARG A 54 10.501 5.198 4.364 1.00 0.00 N ATOM 0 H ARG A 54 2.662 2.112 5.774 1.00 0.00 H new ATOM 0 HA ARG A 54 4.653 0.859 3.915 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.397 3.383 4.038 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.820 3.311 5.736 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.999 2.156 5.082 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.580 2.410 3.399 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.681 4.809 3.614 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.616 4.741 5.364 1.00 0.00 H new ATOM 0 HE ARG A 54 8.960 3.294 4.741 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.582 6.423 4.011 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.152 7.222 3.879 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.968 4.315 4.572 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.053 6.039 4.194 1.00 0.00 H new ATOM 857 N LYS A 55 4.545 0.760 7.190 1.00 0.00 N ATOM 858 CA LYS A 55 5.160 0.093 8.374 1.00 0.00 C ATOM 859 C LYS A 55 5.024 -1.429 8.261 1.00 0.00 C ATOM 860 O LYS A 55 6.001 -2.141 8.155 1.00 0.00 O ATOM 861 CB LYS A 55 4.454 0.559 9.655 1.00 0.00 C ATOM 862 CG LYS A 55 4.733 2.055 9.918 1.00 0.00 C ATOM 863 CD LYS A 55 3.733 2.935 9.153 1.00 0.00 C ATOM 864 CE LYS A 55 3.863 4.383 9.629 1.00 0.00 C ATOM 865 NZ LYS A 55 2.822 5.218 8.965 1.00 0.00 N ATOM 0 H LYS A 55 3.689 1.280 7.381 1.00 0.00 H new ATOM 0 HA LYS A 55 6.216 0.360 8.410 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.380 0.394 9.565 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.798 -0.035 10.502 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.664 2.261 10.986 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.750 2.300 9.611 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.924 2.874 8.082 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.717 2.577 9.317 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.749 4.433 10.712 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.856 4.766 9.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.067 6.224 9.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.773 4.973 7.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.899 5.040 9.410 1.00 0.00 H new ATOM 879 N GLN A 56 3.824 -1.936 8.305 1.00 0.00 N ATOM 880 CA GLN A 56 3.634 -3.413 8.226 1.00 0.00 C ATOM 881 C GLN A 56 4.079 -3.946 6.861 1.00 0.00 C ATOM 882 O GLN A 56 4.332 -5.124 6.705 1.00 0.00 O ATOM 883 CB GLN A 56 2.155 -3.747 8.437 1.00 0.00 C ATOM 884 CG GLN A 56 1.663 -3.100 9.734 1.00 0.00 C ATOM 885 CD GLN A 56 2.453 -3.663 10.917 1.00 0.00 C ATOM 886 OE1 GLN A 56 3.530 -3.191 11.224 1.00 0.00 O ATOM 887 NE2 GLN A 56 1.959 -4.659 11.601 1.00 0.00 N ATOM 0 H GLN A 56 2.965 -1.392 8.392 1.00 0.00 H new ATOM 0 HA GLN A 56 4.240 -3.882 9.001 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.566 -3.387 7.593 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.019 -4.827 8.483 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.786 -2.018 9.683 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.599 -3.294 9.869 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.055 -5.056 11.344 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.477 -5.041 12.393 1.00 0.00 H new ATOM 896 N PHE A 57 4.161 -3.101 5.865 1.00 0.00 N ATOM 897 CA PHE A 57 4.572 -3.581 4.507 1.00 0.00 C ATOM 898 C PHE A 57 6.093 -3.411 4.318 1.00 0.00 C ATOM 899 O PHE A 57 6.782 -4.339 3.955 1.00 0.00 O ATOM 900 CB PHE A 57 3.796 -2.778 3.441 1.00 0.00 C ATOM 901 CG PHE A 57 3.497 -3.644 2.222 1.00 0.00 C ATOM 902 CD1 PHE A 57 4.511 -4.406 1.624 1.00 0.00 C ATOM 903 CD2 PHE A 57 2.201 -3.679 1.689 1.00 0.00 C ATOM 904 CE1 PHE A 57 4.235 -5.194 0.505 1.00 0.00 C ATOM 905 CE2 PHE A 57 1.924 -4.469 0.566 1.00 0.00 C ATOM 906 CZ PHE A 57 2.941 -5.227 -0.027 1.00 0.00 C ATOM 0 H PHE A 57 3.962 -2.103 5.931 1.00 0.00 H new ATOM 0 HA PHE A 57 4.339 -4.641 4.403 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.864 -2.407 3.866 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.378 -1.907 3.140 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.511 -4.383 2.031 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.415 -3.096 2.145 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.021 -5.779 0.050 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.925 -4.493 0.157 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.727 -5.836 -0.893 1.00 0.00 H new ATOM 916 N GLU A 58 6.626 -2.242 4.543 1.00 0.00 N ATOM 917 CA GLU A 58 8.098 -2.052 4.349 1.00 0.00 C ATOM 918 C GLU A 58 8.884 -3.142 5.093 1.00 0.00 C ATOM 919 O GLU A 58 9.948 -3.543 4.666 1.00 0.00 O ATOM 920 CB GLU A 58 8.511 -0.668 4.863 1.00 0.00 C ATOM 921 CG GLU A 58 9.981 -0.395 4.530 1.00 0.00 C ATOM 922 CD GLU A 58 10.161 -0.311 3.013 1.00 0.00 C ATOM 923 OE1 GLU A 58 9.200 0.021 2.340 1.00 0.00 O ATOM 924 OE2 GLU A 58 11.258 -0.579 2.550 1.00 0.00 O ATOM 0 H GLU A 58 6.115 -1.415 4.850 1.00 0.00 H new ATOM 0 HA GLU A 58 8.325 -2.126 3.285 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.880 0.098 4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.359 -0.612 5.941 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.302 0.537 4.996 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.609 -1.188 4.937 1.00 0.00 H new ATOM 931 N LYS A 59 8.383 -3.627 6.197 1.00 0.00 N ATOM 932 CA LYS A 59 9.134 -4.679 6.945 1.00 0.00 C ATOM 933 C LYS A 59 9.075 -6.009 6.200 1.00 0.00 C ATOM 934 O LYS A 59 9.646 -6.987 6.640 1.00 0.00 O ATOM 935 CB LYS A 59 8.514 -4.883 8.326 1.00 0.00 C ATOM 936 CG LYS A 59 8.647 -3.602 9.158 1.00 0.00 C ATOM 937 CD LYS A 59 10.133 -3.297 9.439 1.00 0.00 C ATOM 938 CE LYS A 59 10.266 -2.513 10.748 1.00 0.00 C ATOM 939 NZ LYS A 59 11.603 -1.856 10.804 1.00 0.00 N ATOM 0 H LYS A 59 7.495 -3.344 6.611 1.00 0.00 H new ATOM 0 HA LYS A 59 10.169 -4.350 7.038 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.463 -5.153 8.225 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.008 -5.710 8.836 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.192 -2.766 8.627 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.108 -3.714 10.099 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.698 -4.227 9.503 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.557 -2.722 8.616 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.478 -1.763 10.816 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.143 -3.183 11.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.692 -1.324 11.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.348 -2.580 10.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.704 -1.204 10.000 1.00 0.00 H new ATOM 953 N ILE A 60 8.384 -6.069 5.086 1.00 0.00 N ATOM 954 CA ILE A 60 8.291 -7.359 4.331 1.00 0.00 C ATOM 955 C ILE A 60 8.528 -7.142 2.832 1.00 0.00 C ATOM 956 O ILE A 60 7.958 -7.826 2.017 1.00 0.00 O ATOM 957 CB ILE A 60 6.907 -7.982 4.539 1.00 0.00 C ATOM 958 CG1 ILE A 60 5.827 -6.921 4.333 1.00 0.00 C ATOM 959 CG2 ILE A 60 6.804 -8.539 5.960 1.00 0.00 C ATOM 960 CD1 ILE A 60 4.447 -7.581 4.377 1.00 0.00 C ATOM 0 H ILE A 60 7.883 -5.285 4.669 1.00 0.00 H new ATOM 0 HA ILE A 60 9.063 -8.029 4.711 1.00 0.00 H new ATOM 0 HB ILE A 60 6.766 -8.788 3.819 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.901 -6.157 5.107 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.972 -6.421 3.376 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.819 -8.982 6.107 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.570 -9.300 6.109 1.00 0.00 H new ATOM 0 HG23 ILE A 60 6.950 -7.732 6.678 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.677 -6.824 4.230 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.376 -8.329 3.587 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.304 -8.061 5.345 1.00 0.00 H new ATOM 972 N ILE A 61 9.364 -6.214 2.446 1.00 0.00 N ATOM 973 CA ILE A 61 9.606 -6.017 0.977 1.00 0.00 C ATOM 974 C ILE A 61 10.699 -6.990 0.503 1.00 0.00 C ATOM 975 O ILE A 61 10.623 -7.542 -0.576 1.00 0.00 O ATOM 976 CB ILE A 61 10.029 -4.564 0.702 1.00 0.00 C ATOM 977 CG1 ILE A 61 10.479 -4.399 -0.763 1.00 0.00 C ATOM 978 CG2 ILE A 61 11.183 -4.180 1.623 1.00 0.00 C ATOM 979 CD1 ILE A 61 9.399 -4.915 -1.724 1.00 0.00 C ATOM 0 H ILE A 61 9.883 -5.593 3.067 1.00 0.00 H new ATOM 0 HA ILE A 61 8.686 -6.219 0.429 1.00 0.00 H new ATOM 0 HB ILE A 61 9.173 -3.915 0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.685 -3.349 -0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.409 -4.944 -0.927 1.00 0.00 H new ATOM 0 HG21 ILE A 61 11.479 -3.150 1.425 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.866 -4.273 2.662 1.00 0.00 H new ATOM 0 HG23 ILE A 61 12.029 -4.842 1.441 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.737 -4.789 -2.753 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.214 -5.971 -1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.478 -4.351 -1.573 1.00 0.00 H new ATOM 991 N ASP A 62 11.716 -7.211 1.295 1.00 0.00 N ATOM 992 CA ASP A 62 12.804 -8.149 0.871 1.00 0.00 C ATOM 993 C ASP A 62 12.482 -9.575 1.334 1.00 0.00 C ATOM 994 O ASP A 62 13.187 -10.514 1.020 1.00 0.00 O ATOM 995 CB ASP A 62 14.128 -7.704 1.498 1.00 0.00 C ATOM 996 CG ASP A 62 14.364 -6.222 1.198 1.00 0.00 C ATOM 997 OD1 ASP A 62 14.536 -5.893 0.036 1.00 0.00 O ATOM 998 OD2 ASP A 62 14.368 -5.442 2.137 1.00 0.00 O ATOM 0 H ASP A 62 11.842 -6.786 2.214 1.00 0.00 H new ATOM 0 HA ASP A 62 12.882 -8.135 -0.216 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.106 -7.869 2.575 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.949 -8.301 1.101 1.00 0.00 H new ATOM 1003 N THR A 63 11.428 -9.744 2.085 1.00 0.00 N ATOM 1004 CA THR A 63 11.058 -11.106 2.583 1.00 0.00 C ATOM 1005 C THR A 63 10.179 -11.814 1.546 1.00 0.00 C ATOM 1006 O THR A 63 9.986 -13.012 1.599 1.00 0.00 O ATOM 1007 CB THR A 63 10.314 -10.938 3.928 1.00 0.00 C ATOM 1008 OG1 THR A 63 11.184 -11.302 4.988 1.00 0.00 O ATOM 1009 CG2 THR A 63 9.036 -11.792 4.015 1.00 0.00 C ATOM 0 H THR A 63 10.802 -8.994 2.378 1.00 0.00 H new ATOM 0 HA THR A 63 11.946 -11.719 2.736 1.00 0.00 H new ATOM 0 HB THR A 63 10.014 -9.893 4.003 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.719 -11.196 5.844 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.557 -11.633 4.981 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.351 -11.504 3.218 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.294 -12.845 3.908 1.00 0.00 H new ATOM 1017 N LEU A 64 9.631 -11.086 0.619 1.00 0.00 N ATOM 1018 CA LEU A 64 8.751 -11.732 -0.391 1.00 0.00 C ATOM 1019 C LEU A 64 9.620 -12.500 -1.395 1.00 0.00 C ATOM 1020 O LEU A 64 9.228 -13.530 -1.907 1.00 0.00 O ATOM 1021 CB LEU A 64 7.909 -10.672 -1.134 1.00 0.00 C ATOM 1022 CG LEU A 64 7.619 -9.455 -0.240 1.00 0.00 C ATOM 1023 CD1 LEU A 64 6.883 -8.400 -1.065 1.00 0.00 C ATOM 1024 CD2 LEU A 64 6.751 -9.860 0.967 1.00 0.00 C ATOM 0 H LEU A 64 9.752 -10.078 0.516 1.00 0.00 H new ATOM 0 HA LEU A 64 8.072 -12.419 0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.438 -10.348 -2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.969 -11.116 -1.461 1.00 0.00 H new ATOM 0 HG LEU A 64 8.562 -9.054 0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.672 -7.532 -0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.505 -8.098 -1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.946 -8.816 -1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.558 -8.984 1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.805 -10.270 0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.275 -10.612 1.556 1.00 0.00 H new