USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 797 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 41 SER OG : rot 180:sc=0.000332 USER MOD Set 1.2: A 44 LYS NZ :NH3+ -166:sc= -0.449 (180deg=-0.449) USER MOD Set 2.1: A 28 LYS NZ :NH3+ -172:sc= 0 (180deg=0) USER MOD Set 2.2: A 31 GLN :FLIP amide:sc= -0.449 F(o=-1.3,f=-0.45) USER MOD Single : A 3 THR OG1 : rot -19:sc= 0.563 USER MOD Single : A 7 SER OG : rot 180:sc= -0.653 USER MOD Single : A 9 SER OG : rot 180:sc= 0.102 USER MOD Single : A 18 CYS SG : rot 4:sc= -0.124 USER MOD Single : A 19 GLN : amide:sc= -0.463 X(o=-0.46,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 150:sc= -0.586 USER MOD Single : A 35 MET CE :methyl 137:sc= -0.508 (180deg=-2.26!) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0937 USER MOD Single : A 37 LYS NZ :NH3+ 145:sc= -0.578 (180deg=-2.09!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0.0941 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.414 F(o=-1.9!,f=-0.41) USER MOD Single : A 52 ASN : amide:sc= -0.181 X(o=-0.18,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0.0832 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -1.68 X(o=-1.7,f=-1.7) USER MOD Single : A 72 SER OG : rot 180:sc= -0.0104 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0606 USER MOD Single : A 80 SER OG : rot -23:sc= 0.389 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.394 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 96:sc= 0.914 USER MOD Single : A 91 HIS : no HD1:sc= -0.0402 X(o=-0.04,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -2.78 X(o=-2.8,f=-2.7) USER MOD Single : A 105 MET CE :methyl -143:sc= -3.34! (180deg=-4.07!) USER MOD Single : A 107 GLN : amide:sc= -1.91 X(o=-1.9,f=-2.3) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 5.536 -2.824 -3.750 1.00 40.45 N ATOM 32 CA THR A 3 6.981 -2.997 -3.671 1.00 50.44 C ATOM 33 C THR A 3 7.355 -4.473 -3.611 1.00 24.05 C ATOM 34 O THR A 3 8.392 -4.838 -3.056 1.00 44.22 O ATOM 35 CB THR A 3 7.566 -2.279 -2.440 1.00 62.14 C ATOM 36 OG1 THR A 3 6.591 -2.230 -1.393 1.00 4.04 O ATOM 37 CG2 THR A 3 8.007 -0.867 -2.796 1.00 24.30 C ATOM 0 HA THR A 3 7.403 -2.555 -4.574 1.00 50.44 H new ATOM 0 HB THR A 3 8.437 -2.839 -2.099 1.00 62.14 H new ATOM 0 HG1 THR A 3 5.699 -2.382 -1.769 1.00 4.04 H new ATOM 0 HG21 THR A 3 8.417 -0.380 -1.911 1.00 24.30 H new ATOM 0 HG22 THR A 3 8.770 -0.909 -3.573 1.00 24.30 H new ATOM 0 HG23 THR A 3 7.151 -0.299 -3.159 1.00 24.30 H new ATOM 45 N ASP A 4 6.506 -5.318 -4.184 1.00 32.11 N ATOM 46 CA ASP A 4 6.749 -6.756 -4.196 1.00 52.13 C ATOM 47 C ASP A 4 6.873 -7.274 -5.626 1.00 3.31 C ATOM 48 O ASP A 4 7.167 -8.449 -5.847 1.00 44.22 O ATOM 49 CB ASP A 4 5.621 -7.492 -3.471 1.00 3.44 C ATOM 50 CG ASP A 4 6.018 -7.925 -2.073 1.00 1.30 C ATOM 51 OD1 ASP A 4 7.096 -8.538 -1.926 1.00 11.41 O ATOM 52 OD2 ASP A 4 5.250 -7.651 -1.126 1.00 64.53 O ATOM 0 H ASP A 4 5.643 -5.032 -4.647 1.00 32.11 H new ATOM 0 HA ASP A 4 7.688 -6.945 -3.677 1.00 52.13 H new ATOM 0 HB2 ASP A 4 4.746 -6.844 -3.413 1.00 3.44 H new ATOM 0 HB3 ASP A 4 5.331 -8.368 -4.051 1.00 3.44 H new ATOM 57 N ILE A 5 6.647 -6.390 -6.592 1.00 15.24 N ATOM 58 CA ILE A 5 6.733 -6.758 -7.999 1.00 44.13 C ATOM 59 C ILE A 5 7.416 -5.664 -8.813 1.00 2.44 C ATOM 60 O ILE A 5 8.313 -5.937 -9.612 1.00 2.45 O ATOM 61 CB ILE A 5 5.340 -7.032 -8.596 1.00 65.34 C ATOM 62 CG1 ILE A 5 4.624 -8.122 -7.796 1.00 64.44 C ATOM 63 CG2 ILE A 5 5.461 -7.434 -10.059 1.00 11.31 C ATOM 64 CD1 ILE A 5 3.886 -7.597 -6.585 1.00 43.22 C ATOM 0 H ILE A 5 6.403 -5.414 -6.425 1.00 15.24 H new ATOM 0 HA ILE A 5 7.327 -7.670 -8.050 1.00 44.13 H new ATOM 0 HB ILE A 5 4.749 -6.118 -8.538 1.00 65.34 H new ATOM 0 HG12 ILE A 5 3.917 -8.635 -8.448 1.00 64.44 H new ATOM 0 HG13 ILE A 5 5.355 -8.863 -7.473 1.00 64.44 H new ATOM 0 HG21 ILE A 5 4.468 -7.624 -10.467 1.00 11.31 H new ATOM 0 HG22 ILE A 5 5.936 -6.629 -10.620 1.00 11.31 H new ATOM 0 HG23 ILE A 5 6.066 -8.337 -10.139 1.00 11.31 H new ATOM 0 HD11 ILE A 5 3.403 -8.425 -6.066 1.00 43.22 H new ATOM 0 HD12 ILE A 5 4.591 -7.110 -5.912 1.00 43.22 H new ATOM 0 HD13 ILE A 5 3.131 -6.877 -6.903 1.00 43.22 H new ATOM 76 N LEU A 6 6.987 -4.424 -8.603 1.00 45.12 N ATOM 77 CA LEU A 6 7.559 -3.286 -9.316 1.00 33.25 C ATOM 78 C LEU A 6 8.040 -2.218 -8.339 1.00 20.02 C ATOM 79 O LEU A 6 7.600 -2.169 -7.190 1.00 70.42 O ATOM 80 CB LEU A 6 6.527 -2.689 -10.274 1.00 71.21 C ATOM 81 CG LEU A 6 6.294 -3.459 -11.574 1.00 62.34 C ATOM 82 CD1 LEU A 6 4.838 -3.361 -12.000 1.00 15.31 C ATOM 83 CD2 LEU A 6 7.209 -2.939 -12.673 1.00 62.04 C ATOM 0 H LEU A 6 6.246 -4.181 -7.946 1.00 45.12 H new ATOM 0 HA LEU A 6 8.416 -3.641 -9.889 1.00 33.25 H new ATOM 0 HB2 LEU A 6 5.576 -2.608 -9.748 1.00 71.21 H new ATOM 0 HB3 LEU A 6 6.839 -1.675 -10.526 1.00 71.21 H new ATOM 0 HG LEU A 6 6.529 -4.509 -11.399 1.00 62.34 H new ATOM 0 HD11 LEU A 6 4.692 -3.915 -12.927 1.00 15.31 H new ATOM 0 HD12 LEU A 6 4.202 -3.782 -11.221 1.00 15.31 H new ATOM 0 HD13 LEU A 6 4.575 -2.315 -12.157 1.00 15.31 H new ATOM 0 HD21 LEU A 6 7.029 -3.499 -13.591 1.00 62.04 H new ATOM 0 HD22 LEU A 6 7.005 -1.882 -12.846 1.00 62.04 H new ATOM 0 HD23 LEU A 6 8.249 -3.063 -12.370 1.00 62.04 H new ATOM 95 N SER A 7 8.945 -1.362 -8.804 1.00 74.40 N ATOM 96 CA SER A 7 9.487 -0.295 -7.971 1.00 60.51 C ATOM 97 C SER A 7 8.477 0.837 -7.813 1.00 40.12 C ATOM 98 O SER A 7 7.534 0.976 -8.593 1.00 21.54 O ATOM 99 CB SER A 7 10.784 0.244 -8.577 1.00 24.32 C ATOM 100 OG SER A 7 11.877 0.054 -7.694 1.00 73.43 O ATOM 0 H SER A 7 9.318 -1.387 -9.753 1.00 74.40 H new ATOM 0 HA SER A 7 9.699 -0.709 -6.985 1.00 60.51 H new ATOM 0 HB2 SER A 7 10.984 -0.260 -9.522 1.00 24.32 H new ATOM 0 HB3 SER A 7 10.672 1.305 -8.799 1.00 24.32 H new ATOM 0 HG SER A 7 12.694 0.405 -8.105 1.00 73.43 H new ATOM 106 N PRO A 8 8.678 1.668 -6.779 1.00 72.14 N ATOM 107 CA PRO A 8 7.796 2.804 -6.494 1.00 22.31 C ATOM 108 C PRO A 8 7.922 3.911 -7.535 1.00 33.02 C ATOM 109 O PRO A 8 6.921 4.400 -8.058 1.00 52.32 O ATOM 110 CB PRO A 8 8.282 3.296 -5.128 1.00 65.35 C ATOM 111 CG PRO A 8 9.705 2.860 -5.053 1.00 61.15 C ATOM 112 CD PRO A 8 9.781 1.563 -5.810 1.00 62.30 C ATOM 0 HA PRO A 8 6.744 2.518 -6.510 1.00 22.31 H new ATOM 0 HB2 PRO A 8 8.195 4.379 -5.043 1.00 65.35 H new ATOM 0 HB3 PRO A 8 7.692 2.865 -4.319 1.00 65.35 H new ATOM 0 HG2 PRO A 8 10.366 3.607 -5.492 1.00 61.15 H new ATOM 0 HG3 PRO A 8 10.018 2.726 -4.018 1.00 61.15 H new ATOM 0 HD2 PRO A 8 10.743 1.444 -6.308 1.00 62.30 H new ATOM 0 HD3 PRO A 8 9.656 0.705 -5.150 1.00 62.30 H new ATOM 120 N SER A 9 9.157 4.301 -7.831 1.00 4.32 N ATOM 121 CA SER A 9 9.413 5.354 -8.807 1.00 64.43 C ATOM 122 C SER A 9 8.728 5.042 -10.134 1.00 62.43 C ATOM 123 O SER A 9 8.080 5.903 -10.728 1.00 52.24 O ATOM 124 CB SER A 9 10.918 5.522 -9.025 1.00 24.25 C ATOM 125 OG SER A 9 11.654 4.984 -7.939 1.00 74.21 O ATOM 0 H SER A 9 9.996 3.904 -7.409 1.00 4.32 H new ATOM 0 HA SER A 9 9.003 6.285 -8.416 1.00 64.43 H new ATOM 0 HB2 SER A 9 11.212 5.025 -9.949 1.00 24.25 H new ATOM 0 HB3 SER A 9 11.156 6.579 -9.141 1.00 24.25 H new ATOM 0 HG SER A 9 12.613 5.102 -8.103 1.00 74.21 H new ATOM 131 N ASP A 10 8.877 3.804 -10.593 1.00 22.10 N ATOM 132 CA ASP A 10 8.273 3.376 -11.849 1.00 55.02 C ATOM 133 C ASP A 10 6.758 3.551 -11.811 1.00 14.25 C ATOM 134 O ASP A 10 6.135 3.878 -12.821 1.00 40.53 O ATOM 135 CB ASP A 10 8.622 1.915 -12.137 1.00 3.13 C ATOM 136 CG ASP A 10 10.087 1.727 -12.481 1.00 12.40 C ATOM 137 OD1 ASP A 10 10.474 2.052 -13.623 1.00 13.12 O ATOM 138 OD2 ASP A 10 10.846 1.255 -11.609 1.00 32.22 O ATOM 0 H ASP A 10 9.411 3.079 -10.114 1.00 22.10 H new ATOM 0 HA ASP A 10 8.674 4.001 -12.647 1.00 55.02 H new ATOM 0 HB2 ASP A 10 8.375 1.307 -11.267 1.00 3.13 H new ATOM 0 HB3 ASP A 10 8.009 1.554 -12.962 1.00 3.13 H new ATOM 143 N ILE A 11 6.171 3.330 -10.639 1.00 3.22 N ATOM 144 CA ILE A 11 4.730 3.464 -10.469 1.00 72.23 C ATOM 145 C ILE A 11 4.320 4.930 -10.385 1.00 54.15 C ATOM 146 O ILE A 11 3.424 5.376 -11.102 1.00 10.53 O ATOM 147 CB ILE A 11 4.242 2.733 -9.205 1.00 34.33 C ATOM 148 CG1 ILE A 11 4.561 1.239 -9.297 1.00 4.30 C ATOM 149 CG2 ILE A 11 2.748 2.949 -9.011 1.00 42.20 C ATOM 150 CD1 ILE A 11 4.692 0.565 -7.949 1.00 71.13 C ATOM 0 H ILE A 11 6.672 3.057 -9.793 1.00 3.22 H new ATOM 0 HA ILE A 11 4.266 3.009 -11.344 1.00 72.23 H new ATOM 0 HB ILE A 11 4.765 3.145 -8.342 1.00 34.33 H new ATOM 0 HG12 ILE A 11 3.776 0.743 -9.868 1.00 4.30 H new ATOM 0 HG13 ILE A 11 5.490 1.108 -9.852 1.00 4.30 H new ATOM 0 HG21 ILE A 11 2.418 2.426 -8.113 1.00 42.20 H new ATOM 0 HG22 ILE A 11 2.545 4.015 -8.905 1.00 42.20 H new ATOM 0 HG23 ILE A 11 2.209 2.561 -9.875 1.00 42.20 H new ATOM 0 HD11 ILE A 11 4.918 -0.492 -8.091 1.00 71.13 H new ATOM 0 HD12 ILE A 11 5.496 1.036 -7.384 1.00 71.13 H new ATOM 0 HD13 ILE A 11 3.756 0.665 -7.400 1.00 71.13 H new ATOM 162 N ALA A 12 4.983 5.675 -9.507 1.00 34.00 N ATOM 163 CA ALA A 12 4.690 7.092 -9.332 1.00 51.22 C ATOM 164 C ALA A 12 4.831 7.848 -10.649 1.00 2.42 C ATOM 165 O ALA A 12 4.258 8.923 -10.823 1.00 13.23 O ATOM 166 CB ALA A 12 5.604 7.693 -8.275 1.00 44.52 C ATOM 0 H ALA A 12 5.727 5.321 -8.906 1.00 34.00 H new ATOM 0 HA ALA A 12 3.657 7.186 -8.998 1.00 51.22 H new ATOM 0 HB1 ALA A 12 5.374 8.752 -8.155 1.00 44.52 H new ATOM 0 HB2 ALA A 12 5.451 7.178 -7.326 1.00 44.52 H new ATOM 0 HB3 ALA A 12 6.643 7.580 -8.586 1.00 44.52 H new ATOM 172 N ALA A 13 5.599 7.280 -11.573 1.00 12.01 N ATOM 173 CA ALA A 13 5.814 7.900 -12.874 1.00 50.33 C ATOM 174 C ALA A 13 4.654 7.609 -13.820 1.00 14.11 C ATOM 175 O ALA A 13 4.427 8.340 -14.784 1.00 5.25 O ATOM 176 CB ALA A 13 7.124 7.417 -13.479 1.00 1.41 C ATOM 0 H ALA A 13 6.083 6.391 -11.444 1.00 12.01 H new ATOM 0 HA ALA A 13 5.869 8.979 -12.729 1.00 50.33 H new ATOM 0 HB1 ALA A 13 7.272 7.888 -14.451 1.00 1.41 H new ATOM 0 HB2 ALA A 13 7.949 7.682 -12.818 1.00 1.41 H new ATOM 0 HB3 ALA A 13 7.091 6.334 -13.602 1.00 1.41 H new ATOM 182 N ALA A 14 3.922 6.536 -13.538 1.00 53.21 N ATOM 183 CA ALA A 14 2.784 6.150 -14.363 1.00 71.50 C ATOM 184 C ALA A 14 1.479 6.686 -13.784 1.00 71.44 C ATOM 185 O ALA A 14 0.527 6.954 -14.518 1.00 15.20 O ATOM 186 CB ALA A 14 2.721 4.635 -14.499 1.00 12.43 C ATOM 0 H ALA A 14 4.097 5.919 -12.745 1.00 53.21 H new ATOM 0 HA ALA A 14 2.918 6.588 -15.352 1.00 71.50 H new ATOM 0 HB1 ALA A 14 1.867 4.360 -15.118 1.00 12.43 H new ATOM 0 HB2 ALA A 14 3.637 4.273 -14.965 1.00 12.43 H new ATOM 0 HB3 ALA A 14 2.614 4.185 -13.512 1.00 12.43 H new ATOM 192 N LEU A 15 1.441 6.839 -12.465 1.00 72.54 N ATOM 193 CA LEU A 15 0.251 7.342 -11.788 1.00 3.35 C ATOM 194 C LEU A 15 0.025 8.816 -12.108 1.00 5.54 C ATOM 195 O LEU A 15 -1.050 9.205 -12.564 1.00 0.24 O ATOM 196 CB LEU A 15 0.382 7.151 -10.276 1.00 4.25 C ATOM 197 CG LEU A 15 0.317 5.708 -9.773 1.00 45.42 C ATOM 198 CD1 LEU A 15 0.351 5.670 -8.253 1.00 44.33 C ATOM 199 CD2 LEU A 15 -0.932 5.017 -10.298 1.00 72.32 C ATOM 0 H LEU A 15 2.220 6.622 -11.843 1.00 72.54 H new ATOM 0 HA LEU A 15 -0.608 6.775 -12.147 1.00 3.35 H new ATOM 0 HB2 LEU A 15 1.330 7.584 -9.956 1.00 4.25 H new ATOM 0 HB3 LEU A 15 -0.409 7.721 -9.788 1.00 4.25 H new ATOM 0 HG LEU A 15 1.189 5.173 -10.148 1.00 45.42 H new ATOM 0 HD11 LEU A 15 0.304 4.635 -7.914 1.00 44.33 H new ATOM 0 HD12 LEU A 15 1.275 6.126 -7.898 1.00 44.33 H new ATOM 0 HD13 LEU A 15 -0.502 6.221 -7.856 1.00 44.33 H new ATOM 0 HD21 LEU A 15 -0.962 3.991 -9.930 1.00 72.32 H new ATOM 0 HD22 LEU A 15 -1.816 5.552 -9.953 1.00 72.32 H new ATOM 0 HD23 LEU A 15 -0.914 5.011 -11.388 1.00 72.32 H new ATOM 211 N ARG A 16 1.047 9.632 -11.867 1.00 40.05 N ATOM 212 CA ARG A 16 0.960 11.063 -12.131 1.00 43.31 C ATOM 213 C ARG A 16 0.922 11.338 -13.631 1.00 41.45 C ATOM 214 O ARG A 16 0.385 12.354 -14.073 1.00 15.21 O ATOM 215 CB ARG A 16 2.147 11.793 -11.498 1.00 74.20 C ATOM 216 CG ARG A 16 2.325 11.496 -10.018 1.00 14.20 C ATOM 217 CD ARG A 16 3.305 12.462 -9.370 1.00 60.54 C ATOM 218 NE ARG A 16 2.720 13.785 -9.172 1.00 32.35 N ATOM 219 CZ ARG A 16 1.779 14.044 -8.270 1.00 51.45 C ATOM 220 NH1 ARG A 16 1.320 13.077 -7.489 1.00 74.32 N ATOM 221 NH2 ARG A 16 1.296 15.274 -8.149 1.00 40.33 N ATOM 0 H ARG A 16 1.944 9.326 -11.490 1.00 40.05 H new ATOM 0 HA ARG A 16 0.036 11.433 -11.688 1.00 43.31 H new ATOM 0 HB2 ARG A 16 3.058 11.515 -12.028 1.00 74.20 H new ATOM 0 HB3 ARG A 16 2.015 12.867 -11.631 1.00 74.20 H new ATOM 0 HG2 ARG A 16 1.361 11.562 -9.514 1.00 14.20 H new ATOM 0 HG3 ARG A 16 2.682 10.474 -9.891 1.00 14.20 H new ATOM 0 HD2 ARG A 16 3.627 12.061 -8.409 1.00 60.54 H new ATOM 0 HD3 ARG A 16 4.195 12.549 -9.994 1.00 60.54 H new ATOM 0 HE ARG A 16 3.051 14.552 -9.757 1.00 32.35 H new ATOM 0 HH11 ARG A 16 1.689 12.130 -7.579 1.00 74.32 H new ATOM 0 HH12 ARG A 16 0.598 13.279 -6.798 1.00 74.32 H new ATOM 0 HH21 ARG A 16 1.647 16.021 -8.748 1.00 40.33 H new ATOM 0 HH22 ARG A 16 0.574 15.472 -7.457 1.00 40.33 H new ATOM 235 N ASP A 17 1.496 10.427 -14.409 1.00 41.44 N ATOM 236 CA ASP A 17 1.527 10.571 -15.860 1.00 44.23 C ATOM 237 C ASP A 17 0.124 10.799 -16.414 1.00 45.22 C ATOM 238 O ASP A 17 -0.113 11.754 -17.155 1.00 74.23 O ATOM 239 CB ASP A 17 2.148 9.330 -16.504 1.00 12.21 C ATOM 240 CG ASP A 17 1.772 9.187 -17.966 1.00 30.24 C ATOM 241 OD1 ASP A 17 1.755 10.213 -18.677 1.00 13.03 O ATOM 242 OD2 ASP A 17 1.494 8.049 -18.398 1.00 63.54 O ATOM 0 H ASP A 17 1.946 9.581 -14.059 1.00 41.44 H new ATOM 0 HA ASP A 17 2.139 11.440 -16.101 1.00 44.23 H new ATOM 0 HB2 ASP A 17 3.233 9.382 -16.414 1.00 12.21 H new ATOM 0 HB3 ASP A 17 1.825 8.442 -15.960 1.00 12.21 H new ATOM 247 N CYS A 18 -0.800 9.917 -16.051 1.00 2.10 N ATOM 248 CA CYS A 18 -2.179 10.021 -16.513 1.00 54.02 C ATOM 249 C CYS A 18 -3.155 9.875 -15.350 1.00 0.31 C ATOM 250 O CYS A 18 -4.194 9.228 -15.477 1.00 23.44 O ATOM 251 CB CYS A 18 -2.466 8.955 -17.572 1.00 12.13 C ATOM 252 SG CYS A 18 -1.447 9.098 -19.058 1.00 62.02 S ATOM 0 H CYS A 18 -0.619 9.122 -15.438 1.00 2.10 H new ATOM 0 HA CYS A 18 -2.314 11.008 -16.955 1.00 54.02 H new ATOM 0 HB2 CYS A 18 -2.311 7.970 -17.132 1.00 12.13 H new ATOM 0 HB3 CYS A 18 -3.516 9.015 -17.857 1.00 12.13 H new ATOM 0 HG CYS A 18 -0.585 10.059 -18.903 1.00 62.02 H new ATOM 258 N GLN A 19 -2.812 10.481 -14.217 1.00 71.44 N ATOM 259 CA GLN A 19 -3.657 10.416 -13.031 1.00 31.31 C ATOM 260 C GLN A 19 -5.086 10.836 -13.357 1.00 13.43 C ATOM 261 O GLN A 19 -6.045 10.284 -12.817 1.00 65.14 O ATOM 262 CB GLN A 19 -3.090 11.308 -11.925 1.00 63.24 C ATOM 263 CG GLN A 19 -2.608 12.661 -12.423 1.00 25.10 C ATOM 264 CD GLN A 19 -2.474 13.679 -11.308 1.00 12.12 C ATOM 265 OE1 GLN A 19 -3.426 14.391 -10.984 1.00 64.24 O ATOM 266 NE2 GLN A 19 -1.290 13.754 -10.713 1.00 24.04 N ATOM 0 H GLN A 19 -1.956 11.022 -14.096 1.00 71.44 H new ATOM 0 HA GLN A 19 -3.672 9.383 -12.683 1.00 31.31 H new ATOM 0 HB2 GLN A 19 -3.856 11.462 -11.165 1.00 63.24 H new ATOM 0 HB3 GLN A 19 -2.261 10.791 -11.442 1.00 63.24 H new ATOM 0 HG2 GLN A 19 -1.644 12.540 -12.917 1.00 25.10 H new ATOM 0 HG3 GLN A 19 -3.305 13.038 -13.172 1.00 25.10 H new ATOM 0 HE21 GLN A 19 -0.529 13.145 -11.013 1.00 24.04 H new ATOM 0 HE22 GLN A 19 -1.141 14.421 -9.955 1.00 24.04 H new ATOM 275 N ALA A 20 -5.222 11.818 -14.242 1.00 44.13 N ATOM 276 CA ALA A 20 -6.534 12.312 -14.641 1.00 62.31 C ATOM 277 C ALA A 20 -7.450 11.164 -15.052 1.00 53.41 C ATOM 278 O ALA A 20 -7.001 10.110 -15.501 1.00 72.41 O ATOM 279 CB ALA A 20 -6.398 13.314 -15.778 1.00 5.13 C ATOM 0 H ALA A 20 -4.439 12.287 -14.697 1.00 44.13 H new ATOM 0 HA ALA A 20 -6.983 12.812 -13.783 1.00 62.31 H new ATOM 0 HB1 ALA A 20 -7.386 13.674 -16.065 1.00 5.13 H new ATOM 0 HB2 ALA A 20 -5.786 14.155 -15.451 1.00 5.13 H new ATOM 0 HB3 ALA A 20 -5.925 12.832 -16.633 1.00 5.13 H new ATOM 285 N PRO A 21 -8.766 11.372 -14.895 1.00 71.23 N ATOM 286 CA PRO A 21 -9.773 10.365 -15.244 1.00 52.42 C ATOM 287 C PRO A 21 -9.886 10.156 -16.750 1.00 52.35 C ATOM 288 O PRO A 21 -9.635 11.072 -17.534 1.00 61.34 O ATOM 289 CB PRO A 21 -11.072 10.955 -14.687 1.00 65.23 C ATOM 290 CG PRO A 21 -10.837 12.426 -14.656 1.00 23.45 C ATOM 291 CD PRO A 21 -9.372 12.605 -14.366 1.00 31.02 C ATOM 0 HA PRO A 21 -9.526 9.384 -14.839 1.00 52.42 H new ATOM 0 HB2 PRO A 21 -11.924 10.703 -15.319 1.00 65.23 H new ATOM 0 HB3 PRO A 21 -11.288 10.567 -13.691 1.00 65.23 H new ATOM 0 HG2 PRO A 21 -11.105 12.884 -15.608 1.00 23.45 H new ATOM 0 HG3 PRO A 21 -11.448 12.903 -13.889 1.00 23.45 H new ATOM 0 HD2 PRO A 21 -8.971 13.492 -14.856 1.00 31.02 H new ATOM 0 HD3 PRO A 21 -9.185 12.719 -13.298 1.00 31.02 H new ATOM 299 N ASP A 22 -10.266 8.947 -17.148 1.00 41.13 N ATOM 300 CA ASP A 22 -10.414 8.618 -18.561 1.00 43.43 C ATOM 301 C ASP A 22 -9.255 9.187 -19.375 1.00 74.55 C ATOM 302 O ASP A 22 -9.432 9.594 -20.523 1.00 42.44 O ATOM 303 CB ASP A 22 -11.742 9.157 -19.096 1.00 3.00 C ATOM 304 CG ASP A 22 -11.765 10.671 -19.168 1.00 53.20 C ATOM 305 OD1 ASP A 22 -12.133 11.307 -18.159 1.00 14.15 O ATOM 306 OD2 ASP A 22 -11.417 11.220 -20.234 1.00 44.33 O ATOM 0 H ASP A 22 -10.477 8.178 -16.512 1.00 41.13 H new ATOM 0 HA ASP A 22 -10.406 7.532 -18.659 1.00 43.43 H new ATOM 0 HB2 ASP A 22 -11.924 8.746 -20.089 1.00 3.00 H new ATOM 0 HB3 ASP A 22 -12.555 8.814 -18.455 1.00 3.00 H new ATOM 311 N SER A 23 -8.071 9.211 -18.773 1.00 20.23 N ATOM 312 CA SER A 23 -6.884 9.734 -19.440 1.00 34.41 C ATOM 313 C SER A 23 -5.819 8.651 -19.581 1.00 71.42 C ATOM 314 O SER A 23 -4.839 8.818 -20.308 1.00 14.22 O ATOM 315 CB SER A 23 -6.318 10.923 -18.662 1.00 14.10 C ATOM 316 OG SER A 23 -5.732 11.872 -19.536 1.00 72.13 O ATOM 0 H SER A 23 -7.907 8.874 -17.824 1.00 20.23 H new ATOM 0 HA SER A 23 -7.174 10.066 -20.437 1.00 34.41 H new ATOM 0 HB2 SER A 23 -7.113 11.397 -18.086 1.00 14.10 H new ATOM 0 HB3 SER A 23 -5.573 10.573 -17.948 1.00 14.10 H new ATOM 0 HG SER A 23 -5.379 12.623 -19.014 1.00 72.13 H new ATOM 322 N PHE A 24 -6.018 7.539 -18.881 1.00 32.20 N ATOM 323 CA PHE A 24 -5.075 6.427 -18.926 1.00 51.54 C ATOM 324 C PHE A 24 -5.780 5.132 -19.318 1.00 22.23 C ATOM 325 O PHE A 24 -6.898 4.863 -18.878 1.00 3.31 O ATOM 326 CB PHE A 24 -4.388 6.258 -17.570 1.00 31.02 C ATOM 327 CG PHE A 24 -5.115 5.326 -16.642 1.00 44.52 C ATOM 328 CD1 PHE A 24 -6.137 5.793 -15.832 1.00 34.30 C ATOM 329 CD2 PHE A 24 -4.775 3.985 -16.581 1.00 32.42 C ATOM 330 CE1 PHE A 24 -6.807 4.938 -14.977 1.00 22.20 C ATOM 331 CE2 PHE A 24 -5.441 3.125 -15.728 1.00 75.30 C ATOM 332 CZ PHE A 24 -6.459 3.602 -14.926 1.00 34.12 C ATOM 0 H PHE A 24 -6.824 7.384 -18.276 1.00 32.20 H new ATOM 0 HA PHE A 24 -4.322 6.652 -19.681 1.00 51.54 H new ATOM 0 HB2 PHE A 24 -3.376 5.884 -17.728 1.00 31.02 H new ATOM 0 HB3 PHE A 24 -4.297 7.234 -17.094 1.00 31.02 H new ATOM 0 HD1 PHE A 24 -6.413 6.836 -15.869 1.00 34.30 H new ATOM 0 HD2 PHE A 24 -3.980 3.607 -17.207 1.00 32.42 H new ATOM 0 HE1 PHE A 24 -7.602 5.314 -14.350 1.00 22.20 H new ATOM 0 HE2 PHE A 24 -5.166 2.081 -15.689 1.00 75.30 H new ATOM 0 HZ PHE A 24 -6.982 2.932 -14.260 1.00 34.12 H new ATOM 342 N SER A 25 -5.118 4.332 -20.148 1.00 4.51 N ATOM 343 CA SER A 25 -5.681 3.067 -20.603 1.00 32.12 C ATOM 344 C SER A 25 -5.172 1.908 -19.751 1.00 62.03 C ATOM 345 O SER A 25 -4.151 2.006 -19.070 1.00 42.43 O ATOM 346 CB SER A 25 -5.331 2.827 -22.073 1.00 2.24 C ATOM 347 OG SER A 25 -4.945 4.034 -22.708 1.00 63.51 O ATOM 0 H SER A 25 -4.190 4.538 -20.519 1.00 4.51 H new ATOM 0 HA SER A 25 -6.765 3.122 -20.500 1.00 32.12 H new ATOM 0 HB2 SER A 25 -4.522 2.100 -22.144 1.00 2.24 H new ATOM 0 HB3 SER A 25 -6.190 2.399 -22.590 1.00 2.24 H new ATOM 0 HG SER A 25 -4.725 3.854 -23.646 1.00 63.51 H new ATOM 353 N PRO A 26 -5.900 0.782 -19.789 1.00 42.14 N ATOM 354 CA PRO A 26 -5.542 -0.418 -19.028 1.00 63.31 C ATOM 355 C PRO A 26 -4.287 -1.095 -19.569 1.00 61.01 C ATOM 356 O PRO A 26 -3.680 -1.930 -18.897 1.00 52.34 O ATOM 357 CB PRO A 26 -6.759 -1.328 -19.207 1.00 75.31 C ATOM 358 CG PRO A 26 -7.378 -0.886 -20.488 1.00 62.03 C ATOM 359 CD PRO A 26 -7.128 0.594 -20.579 1.00 53.13 C ATOM 0 HA PRO A 26 -5.314 -0.187 -17.987 1.00 63.31 H new ATOM 0 HB2 PRO A 26 -6.466 -2.377 -19.250 1.00 75.31 H new ATOM 0 HB3 PRO A 26 -7.456 -1.226 -18.375 1.00 75.31 H new ATOM 0 HG2 PRO A 26 -6.936 -1.409 -21.336 1.00 62.03 H new ATOM 0 HG3 PRO A 26 -8.446 -1.103 -20.501 1.00 62.03 H new ATOM 0 HD2 PRO A 26 -6.995 0.916 -21.612 1.00 53.13 H new ATOM 0 HD3 PRO A 26 -7.960 1.168 -20.171 1.00 53.13 H new ATOM 367 N LYS A 27 -3.902 -0.730 -20.787 1.00 42.12 N ATOM 368 CA LYS A 27 -2.718 -1.300 -21.419 1.00 22.01 C ATOM 369 C LYS A 27 -1.653 -0.231 -21.645 1.00 15.04 C ATOM 370 O LYS A 27 -0.861 -0.317 -22.583 1.00 20.31 O ATOM 371 CB LYS A 27 -3.090 -1.953 -22.752 1.00 32.43 C ATOM 372 CG LYS A 27 -3.387 -0.955 -23.857 1.00 13.42 C ATOM 373 CD LYS A 27 -4.378 -1.515 -24.863 1.00 52.13 C ATOM 374 CE LYS A 27 -5.814 -1.297 -24.412 1.00 33.40 C ATOM 375 NZ LYS A 27 -6.792 -1.688 -25.465 1.00 61.12 N ATOM 0 H LYS A 27 -4.393 -0.041 -21.357 1.00 42.12 H new ATOM 0 HA LYS A 27 -2.311 -2.059 -20.751 1.00 22.01 H new ATOM 0 HB2 LYS A 27 -2.273 -2.601 -23.070 1.00 32.43 H new ATOM 0 HB3 LYS A 27 -3.963 -2.589 -22.604 1.00 32.43 H new ATOM 0 HG2 LYS A 27 -3.787 -0.039 -23.423 1.00 13.42 H new ATOM 0 HG3 LYS A 27 -2.461 -0.689 -24.367 1.00 13.42 H new ATOM 0 HD2 LYS A 27 -4.223 -1.039 -25.831 1.00 52.13 H new ATOM 0 HD3 LYS A 27 -4.196 -2.581 -24.999 1.00 52.13 H new ATOM 0 HE2 LYS A 27 -6.003 -1.876 -23.508 1.00 33.40 H new ATOM 0 HE3 LYS A 27 -5.958 -0.248 -24.154 1.00 33.40 H new ATOM 0 HZ1 LYS A 27 -7.759 -1.524 -25.119 1.00 61.12 H new ATOM 0 HZ2 LYS A 27 -6.629 -1.118 -26.319 1.00 61.12 H new ATOM 0 HZ3 LYS A 27 -6.672 -2.695 -25.693 1.00 61.12 H new ATOM 389 N LYS A 28 -1.640 0.776 -20.778 1.00 2.10 N ATOM 390 CA LYS A 28 -0.671 1.861 -20.880 1.00 52.13 C ATOM 391 C LYS A 28 0.057 2.067 -19.556 1.00 64.30 C ATOM 392 O LYS A 28 0.765 3.057 -19.373 1.00 3.32 O ATOM 393 CB LYS A 28 -1.369 3.158 -21.297 1.00 71.32 C ATOM 394 CG LYS A 28 -1.623 3.259 -22.791 1.00 60.53 C ATOM 395 CD LYS A 28 -0.325 3.388 -23.570 1.00 64.20 C ATOM 396 CE LYS A 28 -0.580 3.776 -25.018 1.00 44.53 C ATOM 397 NZ LYS A 28 0.689 3.933 -25.782 1.00 60.32 N ATOM 0 H LYS A 28 -2.290 0.863 -19.997 1.00 2.10 H new ATOM 0 HA LYS A 28 0.062 1.589 -21.639 1.00 52.13 H new ATOM 0 HB2 LYS A 28 -2.320 3.235 -20.769 1.00 71.32 H new ATOM 0 HB3 LYS A 28 -0.760 4.006 -20.982 1.00 71.32 H new ATOM 0 HG2 LYS A 28 -2.165 2.376 -23.129 1.00 60.53 H new ATOM 0 HG3 LYS A 28 -2.258 4.121 -22.995 1.00 60.53 H new ATOM 0 HD2 LYS A 28 0.311 4.137 -23.098 1.00 64.20 H new ATOM 0 HD3 LYS A 28 0.217 2.443 -23.536 1.00 64.20 H new ATOM 0 HE2 LYS A 28 -1.199 3.015 -25.494 1.00 44.53 H new ATOM 0 HE3 LYS A 28 -1.141 4.710 -25.050 1.00 44.53 H new ATOM 0 HZ1 LYS A 28 0.482 4.327 -26.722 1.00 60.32 H new ATOM 0 HZ2 LYS A 28 1.326 4.576 -25.269 1.00 60.32 H new ATOM 0 HZ3 LYS A 28 1.147 3.005 -25.889 1.00 60.32 H new ATOM 411 N PHE A 29 -0.119 1.124 -18.636 1.00 55.21 N ATOM 412 CA PHE A 29 0.522 1.202 -17.329 1.00 12.13 C ATOM 413 C PHE A 29 1.685 0.219 -17.234 1.00 43.42 C ATOM 414 O PHE A 29 2.563 0.359 -16.382 1.00 71.01 O ATOM 415 CB PHE A 29 -0.494 0.915 -16.221 1.00 1.31 C ATOM 416 CG PHE A 29 0.115 0.859 -14.849 1.00 61.01 C ATOM 417 CD1 PHE A 29 1.096 1.763 -14.474 1.00 60.15 C ATOM 418 CD2 PHE A 29 -0.293 -0.098 -13.934 1.00 70.43 C ATOM 419 CE1 PHE A 29 1.658 1.714 -13.213 1.00 3.13 C ATOM 420 CE2 PHE A 29 0.265 -0.152 -12.671 1.00 42.22 C ATOM 421 CZ PHE A 29 1.243 0.755 -12.310 1.00 71.33 C ATOM 0 H PHE A 29 -0.700 0.297 -18.772 1.00 55.21 H new ATOM 0 HA PHE A 29 0.911 2.212 -17.203 1.00 12.13 H new ATOM 0 HB2 PHE A 29 -1.264 1.686 -16.237 1.00 1.31 H new ATOM 0 HB3 PHE A 29 -0.988 -0.034 -16.429 1.00 1.31 H new ATOM 0 HD1 PHE A 29 1.425 2.515 -15.176 1.00 60.15 H new ATOM 0 HD2 PHE A 29 -1.056 -0.810 -14.211 1.00 70.43 H new ATOM 0 HE1 PHE A 29 2.421 2.425 -12.934 1.00 3.13 H new ATOM 0 HE2 PHE A 29 -0.063 -0.902 -11.967 1.00 42.22 H new ATOM 0 HZ PHE A 29 1.682 0.714 -11.324 1.00 71.33 H new ATOM 431 N PHE A 30 1.685 -0.775 -18.116 1.00 31.25 N ATOM 432 CA PHE A 30 2.739 -1.783 -18.132 1.00 12.15 C ATOM 433 C PHE A 30 3.970 -1.270 -18.872 1.00 63.25 C ATOM 434 O PHE A 30 5.002 -1.940 -18.920 1.00 34.01 O ATOM 435 CB PHE A 30 2.234 -3.069 -18.788 1.00 34.51 C ATOM 436 CG PHE A 30 2.278 -3.034 -20.289 1.00 13.11 C ATOM 437 CD1 PHE A 30 3.411 -3.445 -20.972 1.00 32.11 C ATOM 438 CD2 PHE A 30 1.186 -2.589 -21.017 1.00 11.33 C ATOM 439 CE1 PHE A 30 3.455 -3.414 -22.353 1.00 55.01 C ATOM 440 CE2 PHE A 30 1.224 -2.556 -22.398 1.00 13.31 C ATOM 441 CZ PHE A 30 2.360 -2.968 -23.067 1.00 13.32 C ATOM 0 H PHE A 30 0.967 -0.904 -18.829 1.00 31.25 H new ATOM 0 HA PHE A 30 3.020 -1.996 -17.101 1.00 12.15 H new ATOM 0 HB2 PHE A 30 2.834 -3.908 -18.434 1.00 34.51 H new ATOM 0 HB3 PHE A 30 1.209 -3.253 -18.467 1.00 34.51 H new ATOM 0 HD1 PHE A 30 4.270 -3.794 -20.419 1.00 32.11 H new ATOM 0 HD2 PHE A 30 0.295 -2.264 -20.499 1.00 11.33 H new ATOM 0 HE1 PHE A 30 4.344 -3.738 -22.873 1.00 55.01 H new ATOM 0 HE2 PHE A 30 0.366 -2.208 -22.954 1.00 13.31 H new ATOM 0 HZ PHE A 30 2.392 -2.941 -24.146 1.00 13.32 H new ATOM 451 N GLN A 31 3.853 -0.079 -19.449 1.00 51.43 N ATOM 452 CA GLN A 31 4.956 0.523 -20.189 1.00 52.41 C ATOM 453 C GLN A 31 5.783 1.434 -19.288 1.00 22.24 C ATOM 454 O GLN A 31 7.007 1.500 -19.411 1.00 74.21 O ATOM 455 CB GLN A 31 4.424 1.316 -21.384 1.00 54.21 C ATOM 456 CG GLN A 31 3.161 0.727 -21.992 1.00 21.43 C ATOM 457 CD GLN A 31 2.690 1.491 -23.213 1.00 75.53 C ATOM 458 OE1 GLN A 31 2.654 2.814 -23.107 1.00 43.23 O flip ATOM 459 NE2 GLN A 31 2.360 0.898 -24.241 1.00 62.31 N flip ATOM 0 H GLN A 31 3.006 0.488 -19.419 1.00 51.43 H new ATOM 0 HA GLN A 31 5.598 -0.280 -20.551 1.00 52.41 H new ATOM 0 HB2 GLN A 31 4.222 2.340 -21.069 1.00 54.21 H new ATOM 0 HB3 GLN A 31 5.198 1.365 -22.150 1.00 54.21 H new ATOM 0 HG2 GLN A 31 3.345 -0.312 -22.267 1.00 21.43 H new ATOM 0 HG3 GLN A 31 2.369 0.723 -21.243 1.00 21.43 H new ATOM 0 HE21 GLN A 31 2.403 -0.120 -24.279 1.00 62.31 H new ATOM 0 HE22 GLN A 31 2.044 1.425 -25.055 1.00 62.31 H new ATOM 468 N ILE A 32 5.108 2.134 -18.382 1.00 60.33 N ATOM 469 CA ILE A 32 5.781 3.040 -17.460 1.00 24.50 C ATOM 470 C ILE A 32 6.227 2.308 -16.198 1.00 40.23 C ATOM 471 O ILE A 32 7.188 2.710 -15.542 1.00 62.34 O ATOM 472 CB ILE A 32 4.872 4.217 -17.063 1.00 0.40 C ATOM 473 CG1 ILE A 32 4.432 4.992 -18.307 1.00 12.01 C ATOM 474 CG2 ILE A 32 5.591 5.136 -16.087 1.00 44.40 C ATOM 475 CD1 ILE A 32 2.980 4.773 -18.673 1.00 5.43 C ATOM 0 H ILE A 32 4.095 2.091 -18.267 1.00 60.33 H new ATOM 0 HA ILE A 32 6.656 3.428 -17.981 1.00 24.50 H new ATOM 0 HB ILE A 32 3.984 3.821 -16.571 1.00 0.40 H new ATOM 0 HG12 ILE A 32 4.600 6.056 -18.141 1.00 12.01 H new ATOM 0 HG13 ILE A 32 5.059 4.698 -19.149 1.00 12.01 H new ATOM 0 HG21 ILE A 32 4.935 5.963 -15.816 1.00 44.40 H new ATOM 0 HG22 ILE A 32 5.859 4.577 -15.191 1.00 44.40 H new ATOM 0 HG23 ILE A 32 6.495 5.527 -16.554 1.00 44.40 H new ATOM 0 HD11 ILE A 32 2.738 5.353 -19.564 1.00 5.43 H new ATOM 0 HD12 ILE A 32 2.810 3.715 -18.872 1.00 5.43 H new ATOM 0 HD13 ILE A 32 2.344 5.094 -17.848 1.00 5.43 H new ATOM 487 N SER A 33 5.523 1.231 -15.865 1.00 53.31 N ATOM 488 CA SER A 33 5.844 0.444 -14.681 1.00 2.05 C ATOM 489 C SER A 33 6.701 -0.764 -15.047 1.00 44.41 C ATOM 490 O SER A 33 7.883 -0.826 -14.709 1.00 34.21 O ATOM 491 CB SER A 33 4.562 -0.018 -13.986 1.00 72.51 C ATOM 492 OG SER A 33 4.726 -0.047 -12.579 1.00 14.32 O ATOM 0 H SER A 33 4.726 0.884 -16.399 1.00 53.31 H new ATOM 0 HA SER A 33 6.411 1.077 -13.998 1.00 2.05 H new ATOM 0 HB2 SER A 33 3.742 0.652 -14.246 1.00 72.51 H new ATOM 0 HB3 SER A 33 4.288 -1.011 -14.344 1.00 72.51 H new ATOM 0 HG SER A 33 3.867 0.138 -12.146 1.00 14.32 H new ATOM 498 N GLY A 34 6.096 -1.722 -15.742 1.00 22.21 N ATOM 499 CA GLY A 34 6.818 -2.916 -16.143 1.00 53.34 C ATOM 500 C GLY A 34 6.141 -4.188 -15.673 1.00 41.11 C ATOM 501 O GLY A 34 6.806 -5.128 -15.240 1.00 32.45 O ATOM 0 H GLY A 34 5.119 -1.693 -16.035 1.00 22.21 H new ATOM 0 HA2 GLY A 34 6.907 -2.935 -17.229 1.00 53.34 H new ATOM 0 HA3 GLY A 34 7.830 -2.877 -15.741 1.00 53.34 H new ATOM 505 N MET A 35 4.815 -4.217 -15.757 1.00 41.03 N ATOM 506 CA MET A 35 4.048 -5.384 -15.336 1.00 43.20 C ATOM 507 C MET A 35 4.247 -6.544 -16.306 1.00 52.13 C ATOM 508 O MET A 35 4.520 -7.671 -15.893 1.00 43.24 O ATOM 509 CB MET A 35 2.562 -5.035 -15.237 1.00 30.23 C ATOM 510 CG MET A 35 2.292 -3.722 -14.521 1.00 4.40 C ATOM 511 SD MET A 35 0.532 -3.356 -14.381 1.00 4.44 S ATOM 512 CE MET A 35 -0.031 -4.762 -13.425 1.00 62.14 C ATOM 0 H MET A 35 4.249 -3.446 -16.113 1.00 41.03 H new ATOM 0 HA MET A 35 4.408 -5.690 -14.354 1.00 43.20 H new ATOM 0 HB2 MET A 35 2.141 -4.985 -16.241 1.00 30.23 H new ATOM 0 HB3 MET A 35 2.043 -5.838 -14.714 1.00 30.23 H new ATOM 0 HG2 MET A 35 2.732 -3.759 -13.524 1.00 4.40 H new ATOM 0 HG3 MET A 35 2.786 -2.912 -15.057 1.00 4.40 H new ATOM 0 HE1 MET A 35 -0.726 -4.424 -12.656 1.00 62.14 H new ATOM 0 HE2 MET A 35 -0.534 -5.471 -14.083 1.00 62.14 H new ATOM 0 HE3 MET A 35 0.824 -5.247 -12.954 1.00 62.14 H new ATOM 522 N SER A 36 4.107 -6.260 -17.597 1.00 72.53 N ATOM 523 CA SER A 36 4.267 -7.282 -18.626 1.00 12.31 C ATOM 524 C SER A 36 5.610 -7.992 -18.482 1.00 55.44 C ATOM 525 O SER A 36 5.727 -9.185 -18.761 1.00 24.24 O ATOM 526 CB SER A 36 4.154 -6.656 -20.017 1.00 71.15 C ATOM 527 OG SER A 36 5.283 -5.850 -20.307 1.00 71.34 O ATOM 0 H SER A 36 3.883 -5.332 -17.955 1.00 72.53 H new ATOM 0 HA SER A 36 3.472 -8.017 -18.501 1.00 12.31 H new ATOM 0 HB2 SER A 36 4.062 -7.442 -20.767 1.00 71.15 H new ATOM 0 HB3 SER A 36 3.248 -6.053 -20.075 1.00 71.15 H new ATOM 0 HG SER A 36 5.187 -5.463 -21.202 1.00 71.34 H new ATOM 533 N LYS A 37 6.621 -7.248 -18.046 1.00 32.51 N ATOM 534 CA LYS A 37 7.956 -7.804 -17.863 1.00 63.32 C ATOM 535 C LYS A 37 7.950 -8.897 -16.799 1.00 1.33 C ATOM 536 O LYS A 37 8.883 -9.695 -16.707 1.00 43.44 O ATOM 537 CB LYS A 37 8.941 -6.701 -17.471 1.00 1.43 C ATOM 538 CG LYS A 37 8.781 -5.426 -18.282 1.00 22.24 C ATOM 539 CD LYS A 37 8.795 -5.710 -19.774 1.00 52.33 C ATOM 540 CE LYS A 37 10.116 -6.323 -20.213 1.00 52.22 C ATOM 541 NZ LYS A 37 9.972 -7.766 -20.551 1.00 43.13 N ATOM 0 H LYS A 37 6.541 -6.258 -17.813 1.00 32.51 H new ATOM 0 HA LYS A 37 8.271 -8.245 -18.809 1.00 63.32 H new ATOM 0 HB2 LYS A 37 8.811 -6.468 -16.414 1.00 1.43 H new ATOM 0 HB3 LYS A 37 9.958 -7.074 -17.592 1.00 1.43 H new ATOM 0 HG2 LYS A 37 7.845 -4.937 -18.012 1.00 22.24 H new ATOM 0 HG3 LYS A 37 9.585 -4.733 -18.035 1.00 22.24 H new ATOM 0 HD2 LYS A 37 7.978 -6.387 -20.024 1.00 52.33 H new ATOM 0 HD3 LYS A 37 8.622 -4.784 -20.323 1.00 52.33 H new ATOM 0 HE2 LYS A 37 10.497 -5.783 -21.080 1.00 52.22 H new ATOM 0 HE3 LYS A 37 10.852 -6.208 -19.417 1.00 52.22 H new ATOM 0 HZ1 LYS A 37 10.607 -8.003 -21.340 1.00 43.13 H new ATOM 0 HZ2 LYS A 37 10.220 -8.343 -19.722 1.00 43.13 H new ATOM 0 HZ3 LYS A 37 8.989 -7.961 -20.827 1.00 43.13 H new ATOM 555 N LYS A 38 6.892 -8.928 -15.996 1.00 32.11 N ATOM 556 CA LYS A 38 6.762 -9.924 -14.939 1.00 72.20 C ATOM 557 C LYS A 38 5.989 -11.143 -15.432 1.00 64.45 C ATOM 558 O LYS A 38 5.261 -11.070 -16.422 1.00 14.43 O ATOM 559 CB LYS A 38 6.057 -9.319 -13.723 1.00 41.40 C ATOM 560 CG LYS A 38 6.572 -7.940 -13.345 1.00 61.54 C ATOM 561 CD LYS A 38 7.974 -8.009 -12.763 1.00 60.33 C ATOM 562 CE LYS A 38 8.963 -7.207 -13.595 1.00 12.31 C ATOM 563 NZ LYS A 38 10.360 -7.691 -13.417 1.00 35.45 N ATOM 0 H LYS A 38 6.111 -8.274 -16.057 1.00 32.11 H new ATOM 0 HA LYS A 38 7.764 -10.242 -14.650 1.00 72.20 H new ATOM 0 HB2 LYS A 38 4.988 -9.255 -13.928 1.00 41.40 H new ATOM 0 HB3 LYS A 38 6.179 -9.989 -12.872 1.00 41.40 H new ATOM 0 HG2 LYS A 38 6.574 -7.297 -14.225 1.00 61.54 H new ATOM 0 HG3 LYS A 38 5.898 -7.485 -12.619 1.00 61.54 H new ATOM 0 HD2 LYS A 38 7.964 -7.629 -11.741 1.00 60.33 H new ATOM 0 HD3 LYS A 38 8.298 -9.049 -12.713 1.00 60.33 H new ATOM 0 HE2 LYS A 38 8.688 -7.272 -14.648 1.00 12.31 H new ATOM 0 HE3 LYS A 38 8.905 -6.155 -13.314 1.00 12.31 H new ATOM 0 HZ1 LYS A 38 11.003 -7.118 -14.001 1.00 35.45 H new ATOM 0 HZ2 LYS A 38 10.632 -7.606 -12.417 1.00 35.45 H new ATOM 0 HZ3 LYS A 38 10.422 -8.687 -13.709 1.00 35.45 H new ATOM 577 N SER A 39 6.153 -12.264 -14.736 1.00 50.30 N ATOM 578 CA SER A 39 5.473 -13.499 -15.105 1.00 74.42 C ATOM 579 C SER A 39 3.989 -13.428 -14.756 1.00 41.12 C ATOM 580 O SER A 39 3.513 -12.426 -14.223 1.00 2.14 O ATOM 581 CB SER A 39 6.118 -14.693 -14.398 1.00 14.45 C ATOM 582 OG SER A 39 5.977 -15.877 -15.163 1.00 15.20 O ATOM 0 H SER A 39 6.751 -12.342 -13.913 1.00 50.30 H new ATOM 0 HA SER A 39 5.569 -13.629 -16.183 1.00 74.42 H new ATOM 0 HB2 SER A 39 7.175 -14.491 -14.227 1.00 14.45 H new ATOM 0 HB3 SER A 39 5.658 -14.832 -13.420 1.00 14.45 H new ATOM 0 HG SER A 39 6.399 -16.624 -14.690 1.00 15.20 H new ATOM 588 N SER A 40 3.263 -14.499 -15.062 1.00 4.21 N ATOM 589 CA SER A 40 1.833 -14.557 -14.785 1.00 20.43 C ATOM 590 C SER A 40 1.577 -14.801 -13.301 1.00 32.44 C ATOM 591 O SER A 40 0.444 -14.700 -12.830 1.00 72.32 O ATOM 592 CB SER A 40 1.176 -15.661 -15.616 1.00 31.24 C ATOM 593 OG SER A 40 2.109 -16.260 -16.498 1.00 4.31 O ATOM 0 H SER A 40 3.642 -15.338 -15.502 1.00 4.21 H new ATOM 0 HA SER A 40 1.395 -13.597 -15.058 1.00 20.43 H new ATOM 0 HB2 SER A 40 0.759 -16.419 -14.954 1.00 31.24 H new ATOM 0 HB3 SER A 40 0.346 -15.245 -16.187 1.00 31.24 H new ATOM 0 HG SER A 40 1.665 -16.963 -17.016 1.00 4.31 H new ATOM 599 N SER A 41 2.638 -15.124 -12.568 1.00 43.44 N ATOM 600 CA SER A 41 2.529 -15.386 -11.138 1.00 63.22 C ATOM 601 C SER A 41 2.799 -14.120 -10.331 1.00 42.12 C ATOM 602 O SER A 41 2.232 -13.924 -9.257 1.00 23.13 O ATOM 603 CB SER A 41 3.508 -16.487 -10.724 1.00 41.32 C ATOM 604 OG SER A 41 3.037 -17.763 -11.119 1.00 71.45 O ATOM 0 H SER A 41 3.583 -15.210 -12.941 1.00 43.44 H new ATOM 0 HA SER A 41 1.511 -15.717 -10.931 1.00 63.22 H new ATOM 0 HB2 SER A 41 4.482 -16.300 -11.175 1.00 41.32 H new ATOM 0 HB3 SER A 41 3.648 -16.466 -9.643 1.00 41.32 H new ATOM 0 HG SER A 41 3.681 -18.449 -10.844 1.00 71.45 H new ATOM 610 N GLN A 42 3.669 -13.264 -10.858 1.00 70.12 N ATOM 611 CA GLN A 42 4.015 -12.017 -10.187 1.00 1.11 C ATOM 612 C GLN A 42 2.863 -11.021 -10.261 1.00 14.22 C ATOM 613 O GLN A 42 2.626 -10.258 -9.323 1.00 44.32 O ATOM 614 CB GLN A 42 5.272 -11.408 -10.812 1.00 74.30 C ATOM 615 CG GLN A 42 6.562 -11.856 -10.144 1.00 14.03 C ATOM 616 CD GLN A 42 7.767 -11.065 -10.613 1.00 32.21 C ATOM 617 OE1 GLN A 42 7.889 -9.832 -10.135 1.00 53.34 O flip ATOM 618 NE2 GLN A 42 8.580 -11.557 -11.396 1.00 73.22 N flip ATOM 0 H GLN A 42 4.147 -13.411 -11.747 1.00 70.12 H new ATOM 0 HA GLN A 42 4.211 -12.241 -9.138 1.00 1.11 H new ATOM 0 HB2 GLN A 42 5.308 -11.675 -11.868 1.00 74.30 H new ATOM 0 HB3 GLN A 42 5.204 -10.321 -10.760 1.00 74.30 H new ATOM 0 HG2 GLN A 42 6.462 -11.752 -9.064 1.00 14.03 H new ATOM 0 HG3 GLN A 42 6.724 -12.914 -10.349 1.00 14.03 H new ATOM 0 HE21 GLN A 42 8.447 -12.509 -11.738 1.00 73.22 H new ATOM 0 HE22 GLN A 42 9.387 -11.013 -11.702 1.00 73.22 H new ATOM 627 N LEU A 43 2.148 -11.033 -11.381 1.00 11.24 N ATOM 628 CA LEU A 43 1.019 -10.130 -11.577 1.00 42.15 C ATOM 629 C LEU A 43 -0.174 -10.556 -10.728 1.00 3.02 C ATOM 630 O LEU A 43 -1.096 -9.774 -10.496 1.00 2.24 O ATOM 631 CB LEU A 43 0.621 -10.094 -13.054 1.00 41.20 C ATOM 632 CG LEU A 43 1.760 -9.879 -14.051 1.00 63.22 C ATOM 633 CD1 LEU A 43 1.457 -10.579 -15.367 1.00 11.01 C ATOM 634 CD2 LEU A 43 1.998 -8.393 -14.278 1.00 20.33 C ATOM 0 H LEU A 43 2.330 -11.658 -12.167 1.00 11.24 H new ATOM 0 HA LEU A 43 1.325 -9.132 -11.264 1.00 42.15 H new ATOM 0 HB2 LEU A 43 0.123 -11.032 -13.298 1.00 41.20 H new ATOM 0 HB3 LEU A 43 -0.112 -9.299 -13.193 1.00 41.20 H new ATOM 0 HG LEU A 43 2.669 -10.312 -13.633 1.00 63.22 H new ATOM 0 HD11 LEU A 43 2.279 -10.415 -16.064 1.00 11.01 H new ATOM 0 HD12 LEU A 43 1.338 -11.648 -15.191 1.00 11.01 H new ATOM 0 HD13 LEU A 43 0.537 -10.176 -15.790 1.00 11.01 H new ATOM 0 HD21 LEU A 43 2.812 -8.260 -14.990 1.00 20.33 H new ATOM 0 HD22 LEU A 43 1.091 -7.936 -14.674 1.00 20.33 H new ATOM 0 HD23 LEU A 43 2.261 -7.918 -13.333 1.00 20.33 H new ATOM 646 N LYS A 44 -0.149 -11.801 -10.264 1.00 45.11 N ATOM 647 CA LYS A 44 -1.225 -12.332 -9.437 1.00 14.44 C ATOM 648 C LYS A 44 -1.217 -11.688 -8.054 1.00 25.03 C ATOM 649 O LYS A 44 -2.250 -11.607 -7.391 1.00 11.11 O ATOM 650 CB LYS A 44 -1.094 -13.851 -9.305 1.00 2.43 C ATOM 651 CG LYS A 44 -1.830 -14.621 -10.387 1.00 61.11 C ATOM 652 CD LYS A 44 -1.994 -16.085 -10.015 1.00 74.25 C ATOM 653 CE LYS A 44 -0.812 -16.917 -10.488 1.00 42.44 C ATOM 654 NZ LYS A 44 0.173 -17.151 -9.397 1.00 4.03 N ATOM 0 H LYS A 44 0.606 -12.462 -10.447 1.00 45.11 H new ATOM 0 HA LYS A 44 -2.172 -12.097 -9.923 1.00 14.44 H new ATOM 0 HB2 LYS A 44 -0.038 -14.120 -9.334 1.00 2.43 H new ATOM 0 HB3 LYS A 44 -1.475 -14.157 -8.330 1.00 2.43 H new ATOM 0 HG2 LYS A 44 -2.811 -14.174 -10.550 1.00 61.11 H new ATOM 0 HG3 LYS A 44 -1.283 -14.542 -11.327 1.00 61.11 H new ATOM 0 HD2 LYS A 44 -2.096 -16.177 -8.934 1.00 74.25 H new ATOM 0 HD3 LYS A 44 -2.912 -16.473 -10.456 1.00 74.25 H new ATOM 0 HE2 LYS A 44 -1.170 -17.875 -10.866 1.00 42.44 H new ATOM 0 HE3 LYS A 44 -0.320 -16.410 -11.319 1.00 42.44 H new ATOM 0 HZ1 LYS A 44 1.062 -17.508 -9.802 1.00 4.03 H new ATOM 0 HZ2 LYS A 44 0.355 -16.258 -8.896 1.00 4.03 H new ATOM 0 HZ3 LYS A 44 -0.209 -17.851 -8.729 1.00 4.03 H new ATOM 668 N GLU A 45 -0.044 -11.231 -7.626 1.00 23.11 N ATOM 669 CA GLU A 45 0.098 -10.594 -6.322 1.00 34.22 C ATOM 670 C GLU A 45 -0.757 -9.333 -6.237 1.00 33.02 C ATOM 671 O GLU A 45 -1.470 -9.119 -5.256 1.00 3.45 O ATOM 672 CB GLU A 45 1.564 -10.248 -6.055 1.00 20.54 C ATOM 673 CG GLU A 45 2.513 -11.416 -6.266 1.00 31.21 C ATOM 674 CD GLU A 45 3.760 -11.317 -5.409 1.00 43.34 C ATOM 675 OE1 GLU A 45 3.712 -11.745 -4.238 1.00 31.34 O ATOM 676 OE2 GLU A 45 4.785 -10.810 -5.912 1.00 3.11 O ATOM 0 H GLU A 45 0.821 -11.290 -8.163 1.00 23.11 H new ATOM 0 HA GLU A 45 -0.245 -11.297 -5.563 1.00 34.22 H new ATOM 0 HB2 GLU A 45 1.860 -9.428 -6.709 1.00 20.54 H new ATOM 0 HB3 GLU A 45 1.663 -9.891 -5.030 1.00 20.54 H new ATOM 0 HG2 GLU A 45 1.994 -12.347 -6.039 1.00 31.21 H new ATOM 0 HG3 GLU A 45 2.801 -11.460 -7.316 1.00 31.21 H new ATOM 683 N ILE A 46 -0.680 -8.502 -7.271 1.00 32.41 N ATOM 684 CA ILE A 46 -1.447 -7.263 -7.314 1.00 23.33 C ATOM 685 C ILE A 46 -2.939 -7.535 -7.159 1.00 12.41 C ATOM 686 O ILE A 46 -3.657 -6.767 -6.517 1.00 74.52 O ATOM 687 CB ILE A 46 -1.209 -6.499 -8.630 1.00 20.43 C ATOM 688 CG1 ILE A 46 0.281 -6.201 -8.810 1.00 31.22 C ATOM 689 CG2 ILE A 46 -2.018 -5.211 -8.648 1.00 75.41 C ATOM 690 CD1 ILE A 46 0.793 -6.501 -10.201 1.00 63.20 C ATOM 0 H ILE A 46 -0.094 -8.664 -8.090 1.00 32.41 H new ATOM 0 HA ILE A 46 -1.104 -6.650 -6.481 1.00 23.33 H new ATOM 0 HB ILE A 46 -1.538 -7.124 -9.460 1.00 20.43 H new ATOM 0 HG12 ILE A 46 0.463 -5.151 -8.583 1.00 31.22 H new ATOM 0 HG13 ILE A 46 0.850 -6.786 -8.088 1.00 31.22 H new ATOM 0 HG21 ILE A 46 -1.839 -4.682 -9.584 1.00 75.41 H new ATOM 0 HG22 ILE A 46 -3.079 -5.446 -8.561 1.00 75.41 H new ATOM 0 HG23 ILE A 46 -1.716 -4.580 -7.812 1.00 75.41 H new ATOM 0 HD11 ILE A 46 1.856 -6.266 -10.256 1.00 63.20 H new ATOM 0 HD12 ILE A 46 0.643 -7.557 -10.424 1.00 63.20 H new ATOM 0 HD13 ILE A 46 0.250 -5.896 -10.927 1.00 63.20 H new ATOM 702 N PHE A 47 -3.400 -8.632 -7.750 1.00 21.23 N ATOM 703 CA PHE A 47 -4.808 -9.006 -7.677 1.00 25.10 C ATOM 704 C PHE A 47 -5.271 -9.102 -6.226 1.00 44.12 C ATOM 705 O PHE A 47 -6.390 -8.711 -5.894 1.00 23.24 O ATOM 706 CB PHE A 47 -5.040 -10.341 -8.387 1.00 62.25 C ATOM 707 CG PHE A 47 -6.078 -11.200 -7.725 1.00 35.23 C ATOM 708 CD1 PHE A 47 -5.732 -12.056 -6.692 1.00 33.32 C ATOM 709 CD2 PHE A 47 -7.401 -11.152 -8.135 1.00 50.11 C ATOM 710 CE1 PHE A 47 -6.686 -12.848 -6.080 1.00 4.15 C ATOM 711 CE2 PHE A 47 -8.359 -11.941 -7.526 1.00 43.23 C ATOM 712 CZ PHE A 47 -8.000 -12.791 -6.498 1.00 55.32 C ATOM 0 H PHE A 47 -2.819 -9.278 -8.285 1.00 21.23 H new ATOM 0 HA PHE A 47 -5.390 -8.231 -8.175 1.00 25.10 H new ATOM 0 HB2 PHE A 47 -5.342 -10.148 -9.416 1.00 62.25 H new ATOM 0 HB3 PHE A 47 -4.099 -10.889 -8.429 1.00 62.25 H new ATOM 0 HD1 PHE A 47 -4.705 -12.105 -6.361 1.00 33.32 H new ATOM 0 HD2 PHE A 47 -7.687 -10.491 -8.940 1.00 50.11 H new ATOM 0 HE1 PHE A 47 -6.403 -13.511 -5.276 1.00 4.15 H new ATOM 0 HE2 PHE A 47 -9.387 -11.893 -7.854 1.00 43.23 H new ATOM 0 HZ PHE A 47 -8.746 -13.410 -6.022 1.00 55.32 H new ATOM 722 N ARG A 48 -4.402 -9.625 -5.367 1.00 43.03 N ATOM 723 CA ARG A 48 -4.721 -9.774 -3.953 1.00 32.33 C ATOM 724 C ARG A 48 -4.892 -8.412 -3.287 1.00 42.21 C ATOM 725 O ARG A 48 -5.382 -8.317 -2.162 1.00 32.14 O ATOM 726 CB ARG A 48 -3.624 -10.568 -3.241 1.00 42.41 C ATOM 727 CG ARG A 48 -4.123 -11.846 -2.588 1.00 24.21 C ATOM 728 CD ARG A 48 -5.251 -11.567 -1.607 1.00 24.21 C ATOM 729 NE ARG A 48 -4.990 -12.149 -0.293 1.00 43.00 N ATOM 730 CZ ARG A 48 -5.205 -13.426 0.001 1.00 72.40 C ATOM 731 NH1 ARG A 48 -5.682 -14.251 -0.921 1.00 52.02 N ATOM 732 NH2 ARG A 48 -4.943 -13.881 1.220 1.00 60.34 N ATOM 0 H ARG A 48 -3.471 -9.953 -5.626 1.00 43.03 H new ATOM 0 HA ARG A 48 -5.662 -10.318 -3.875 1.00 32.33 H new ATOM 0 HB2 ARG A 48 -2.844 -10.818 -3.960 1.00 42.41 H new ATOM 0 HB3 ARG A 48 -3.166 -9.936 -2.480 1.00 42.41 H new ATOM 0 HG2 ARG A 48 -4.470 -12.537 -3.356 1.00 24.21 H new ATOM 0 HG3 ARG A 48 -3.300 -12.335 -2.068 1.00 24.21 H new ATOM 0 HD2 ARG A 48 -5.386 -10.490 -1.506 1.00 24.21 H new ATOM 0 HD3 ARG A 48 -6.184 -11.969 -2.003 1.00 24.21 H new ATOM 0 HE ARG A 48 -4.622 -11.541 0.439 1.00 43.00 H new ATOM 0 HH11 ARG A 48 -5.885 -13.905 -1.859 1.00 52.02 H new ATOM 0 HH12 ARG A 48 -5.846 -15.231 -0.692 1.00 52.02 H new ATOM 0 HH21 ARG A 48 -4.576 -13.250 1.932 1.00 60.34 H new ATOM 0 HH22 ARG A 48 -5.109 -14.862 1.445 1.00 60.34 H new ATOM 746 N ILE A 49 -4.483 -7.361 -3.990 1.00 15.42 N ATOM 747 CA ILE A 49 -4.592 -6.004 -3.467 1.00 62.32 C ATOM 748 C ILE A 49 -5.846 -5.312 -3.990 1.00 62.13 C ATOM 749 O ILE A 49 -6.283 -4.298 -3.444 1.00 25.22 O ATOM 750 CB ILE A 49 -3.359 -5.158 -3.838 1.00 35.12 C ATOM 751 CG1 ILE A 49 -2.074 -5.927 -3.527 1.00 4.33 C ATOM 752 CG2 ILE A 49 -3.384 -3.832 -3.092 1.00 61.05 C ATOM 753 CD1 ILE A 49 -1.952 -6.339 -2.076 1.00 42.43 C ATOM 0 H ILE A 49 -4.074 -7.423 -4.922 1.00 15.42 H new ATOM 0 HA ILE A 49 -4.653 -6.087 -2.382 1.00 62.32 H new ATOM 0 HB ILE A 49 -3.386 -4.951 -4.908 1.00 35.12 H new ATOM 0 HG12 ILE A 49 -2.033 -6.818 -4.154 1.00 4.33 H new ATOM 0 HG13 ILE A 49 -1.217 -5.309 -3.794 1.00 4.33 H new ATOM 0 HG21 ILE A 49 -2.507 -3.245 -3.364 1.00 61.05 H new ATOM 0 HG22 ILE A 49 -4.286 -3.281 -3.359 1.00 61.05 H new ATOM 0 HG23 ILE A 49 -3.377 -4.019 -2.018 1.00 61.05 H new ATOM 0 HD11 ILE A 49 -1.017 -6.880 -1.929 1.00 42.43 H new ATOM 0 HD12 ILE A 49 -1.961 -5.451 -1.444 1.00 42.43 H new ATOM 0 HD13 ILE A 49 -2.790 -6.983 -1.809 1.00 42.43 H new ATOM 765 N LEU A 50 -6.422 -5.867 -5.051 1.00 11.21 N ATOM 766 CA LEU A 50 -7.629 -5.304 -5.648 1.00 25.21 C ATOM 767 C LEU A 50 -8.880 -5.926 -5.036 1.00 63.11 C ATOM 768 O LEU A 50 -9.950 -5.319 -5.035 1.00 44.14 O ATOM 769 CB LEU A 50 -7.623 -5.525 -7.161 1.00 71.44 C ATOM 770 CG LEU A 50 -6.973 -4.423 -7.998 1.00 65.55 C ATOM 771 CD1 LEU A 50 -5.544 -4.800 -8.359 1.00 3.14 C ATOM 772 CD2 LEU A 50 -7.788 -4.156 -9.255 1.00 33.11 C ATOM 0 H LEU A 50 -6.073 -6.706 -5.515 1.00 11.21 H new ATOM 0 HA LEU A 50 -7.641 -4.233 -5.443 1.00 25.21 H new ATOM 0 HB2 LEU A 50 -7.108 -6.463 -7.369 1.00 71.44 H new ATOM 0 HB3 LEU A 50 -8.654 -5.647 -7.494 1.00 71.44 H new ATOM 0 HG LEU A 50 -6.948 -3.510 -7.404 1.00 65.55 H new ATOM 0 HD11 LEU A 50 -5.097 -4.004 -8.955 1.00 3.14 H new ATOM 0 HD12 LEU A 50 -4.963 -4.941 -7.447 1.00 3.14 H new ATOM 0 HD13 LEU A 50 -5.546 -5.726 -8.934 1.00 3.14 H new ATOM 0 HD21 LEU A 50 -7.310 -3.369 -9.838 1.00 33.11 H new ATOM 0 HD22 LEU A 50 -7.845 -5.066 -9.852 1.00 33.11 H new ATOM 0 HD23 LEU A 50 -8.794 -3.841 -8.977 1.00 33.11 H new ATOM 784 N ASP A 51 -8.736 -7.140 -4.514 1.00 74.02 N ATOM 785 CA ASP A 51 -9.855 -7.844 -3.897 1.00 41.23 C ATOM 786 C ASP A 51 -10.278 -7.161 -2.600 1.00 70.40 C ATOM 787 O ASP A 51 -9.506 -7.087 -1.646 1.00 5.04 O ATOM 788 CB ASP A 51 -9.478 -9.301 -3.621 1.00 1.40 C ATOM 789 CG ASP A 51 -10.669 -10.233 -3.716 1.00 2.52 C ATOM 790 OD1 ASP A 51 -11.864 -9.661 -3.798 1.00 55.20 O ATOM 791 OD2 ASP A 51 -10.516 -11.454 -3.716 1.00 22.32 O ATOM 0 H ASP A 51 -7.856 -7.656 -4.506 1.00 74.02 H new ATOM 0 HA ASP A 51 -10.695 -7.819 -4.591 1.00 41.23 H new ATOM 0 HB2 ASP A 51 -8.715 -9.617 -4.332 1.00 1.40 H new ATOM 0 HB3 ASP A 51 -9.038 -9.378 -2.627 1.00 1.40 H new ATOM 796 N ASN A 52 -11.511 -6.665 -2.574 1.00 23.14 N ATOM 797 CA ASN A 52 -12.037 -5.989 -1.394 1.00 12.34 C ATOM 798 C ASN A 52 -12.968 -6.909 -0.609 1.00 50.53 C ATOM 799 O ASN A 52 -13.524 -6.517 0.417 1.00 22.42 O ATOM 800 CB ASN A 52 -12.783 -4.716 -1.800 1.00 21.01 C ATOM 801 CG ASN A 52 -12.034 -3.457 -1.407 1.00 52.05 C ATOM 802 OD1 ASN A 52 -12.566 -2.599 -0.703 1.00 34.11 O ATOM 803 ND2 ASN A 52 -10.792 -3.341 -1.864 1.00 14.25 N ATOM 0 H ASN A 52 -12.164 -6.719 -3.356 1.00 23.14 H new ATOM 0 HA ASN A 52 -11.196 -5.721 -0.754 1.00 12.34 H new ATOM 0 HB2 ASN A 52 -12.942 -4.719 -2.878 1.00 21.01 H new ATOM 0 HB3 ASN A 52 -13.768 -4.711 -1.333 1.00 21.01 H new ATOM 0 HD21 ASN A 52 -10.239 -2.515 -1.634 1.00 14.25 H new ATOM 0 HD22 ASN A 52 -10.391 -4.078 -2.445 1.00 14.25 H new ATOM 810 N ASP A 53 -13.133 -8.132 -1.100 1.00 24.13 N ATOM 811 CA ASP A 53 -13.995 -9.109 -0.444 1.00 44.14 C ATOM 812 C ASP A 53 -13.313 -10.472 -0.370 1.00 1.42 C ATOM 813 O ASP A 53 -13.886 -11.435 0.137 1.00 32.33 O ATOM 814 CB ASP A 53 -15.324 -9.230 -1.191 1.00 41.10 C ATOM 815 CG ASP A 53 -15.429 -8.255 -2.347 1.00 73.03 C ATOM 816 OD1 ASP A 53 -15.403 -7.032 -2.096 1.00 34.31 O ATOM 817 OD2 ASP A 53 -15.539 -8.715 -3.503 1.00 43.24 O ATOM 0 H ASP A 53 -12.682 -8.471 -1.950 1.00 24.13 H new ATOM 0 HA ASP A 53 -14.188 -8.764 0.572 1.00 44.14 H new ATOM 0 HB2 ASP A 53 -15.435 -10.247 -1.566 1.00 41.10 H new ATOM 0 HB3 ASP A 53 -16.145 -9.055 -0.496 1.00 41.10 H new ATOM 822 N GLN A 54 -12.088 -10.543 -0.879 1.00 65.34 N ATOM 823 CA GLN A 54 -11.329 -11.789 -0.872 1.00 12.22 C ATOM 824 C GLN A 54 -12.149 -12.929 -1.468 1.00 4.40 C ATOM 825 O GLN A 54 -11.879 -14.101 -1.209 1.00 31.41 O ATOM 826 CB GLN A 54 -10.903 -12.142 0.554 1.00 33.51 C ATOM 827 CG GLN A 54 -10.458 -10.941 1.372 1.00 44.13 C ATOM 828 CD GLN A 54 -9.098 -10.420 0.950 1.00 41.13 C ATOM 829 OE1 GLN A 54 -8.071 -11.049 1.209 1.00 15.41 O ATOM 830 NE2 GLN A 54 -9.083 -9.265 0.295 1.00 54.31 N ATOM 0 H GLN A 54 -11.599 -9.754 -1.301 1.00 65.34 H new ATOM 0 HA GLN A 54 -10.439 -11.647 -1.485 1.00 12.22 H new ATOM 0 HB2 GLN A 54 -11.735 -12.629 1.063 1.00 33.51 H new ATOM 0 HB3 GLN A 54 -10.088 -12.865 0.512 1.00 33.51 H new ATOM 0 HG2 GLN A 54 -11.195 -10.144 1.272 1.00 44.13 H new ATOM 0 HG3 GLN A 54 -10.427 -11.216 2.426 1.00 44.13 H new ATOM 0 HE21 GLN A 54 -9.958 -8.777 0.101 1.00 54.31 H new ATOM 0 HE22 GLN A 54 -8.197 -8.866 -0.015 1.00 54.31 H new ATOM 839 N SER A 55 -13.150 -12.576 -2.267 1.00 52.23 N ATOM 840 CA SER A 55 -14.012 -13.569 -2.897 1.00 60.31 C ATOM 841 C SER A 55 -13.249 -14.354 -3.960 1.00 74.03 C ATOM 842 O SER A 55 -13.675 -15.430 -4.378 1.00 24.42 O ATOM 843 CB SER A 55 -15.233 -12.893 -3.524 1.00 4.21 C ATOM 844 OG SER A 55 -14.910 -11.597 -3.998 1.00 12.34 O ATOM 0 H SER A 55 -13.384 -11.610 -2.494 1.00 52.23 H new ATOM 0 HA SER A 55 -14.347 -14.264 -2.127 1.00 60.31 H new ATOM 0 HB2 SER A 55 -15.607 -13.502 -4.347 1.00 4.21 H new ATOM 0 HB3 SER A 55 -16.034 -12.825 -2.787 1.00 4.21 H new ATOM 0 HG SER A 55 -15.706 -11.186 -4.396 1.00 12.34 H new ATOM 850 N GLY A 56 -12.119 -13.806 -4.395 1.00 4.44 N ATOM 851 CA GLY A 56 -11.314 -14.466 -5.405 1.00 61.53 C ATOM 852 C GLY A 56 -11.277 -13.697 -6.711 1.00 25.30 C ATOM 853 O GLY A 56 -10.421 -13.945 -7.561 1.00 53.44 O ATOM 0 H GLY A 56 -11.746 -12.916 -4.065 1.00 4.44 H new ATOM 0 HA2 GLY A 56 -10.298 -14.590 -5.031 1.00 61.53 H new ATOM 0 HA3 GLY A 56 -11.711 -15.465 -5.586 1.00 61.53 H new ATOM 857 N PHE A 57 -12.207 -12.762 -6.872 1.00 72.50 N ATOM 858 CA PHE A 57 -12.279 -11.956 -8.085 1.00 31.20 C ATOM 859 C PHE A 57 -12.439 -10.477 -7.746 1.00 62.01 C ATOM 860 O PHE A 57 -12.736 -10.119 -6.606 1.00 21.20 O ATOM 861 CB PHE A 57 -13.445 -12.419 -8.962 1.00 5.21 C ATOM 862 CG PHE A 57 -13.485 -13.906 -9.169 1.00 51.25 C ATOM 863 CD1 PHE A 57 -14.115 -14.730 -8.251 1.00 0.11 C ATOM 864 CD2 PHE A 57 -12.893 -14.480 -10.283 1.00 41.40 C ATOM 865 CE1 PHE A 57 -14.155 -16.099 -8.439 1.00 45.30 C ATOM 866 CE2 PHE A 57 -12.930 -15.848 -10.477 1.00 4.53 C ATOM 867 CZ PHE A 57 -13.560 -16.658 -9.553 1.00 30.20 C ATOM 0 H PHE A 57 -12.921 -12.544 -6.178 1.00 72.50 H new ATOM 0 HA PHE A 57 -11.346 -12.086 -8.634 1.00 31.20 H new ATOM 0 HB2 PHE A 57 -14.382 -12.098 -8.506 1.00 5.21 H new ATOM 0 HB3 PHE A 57 -13.377 -11.927 -9.932 1.00 5.21 H new ATOM 0 HD1 PHE A 57 -14.581 -14.298 -7.378 1.00 0.11 H new ATOM 0 HD2 PHE A 57 -12.397 -13.851 -11.008 1.00 41.40 H new ATOM 0 HE1 PHE A 57 -14.651 -16.730 -7.716 1.00 45.30 H new ATOM 0 HE2 PHE A 57 -12.467 -16.283 -11.350 1.00 4.53 H new ATOM 0 HZ PHE A 57 -13.587 -17.727 -9.701 1.00 30.20 H new ATOM 877 N ILE A 58 -12.239 -9.623 -8.744 1.00 3.20 N ATOM 878 CA ILE A 58 -12.361 -8.183 -8.552 1.00 42.04 C ATOM 879 C ILE A 58 -13.454 -7.601 -9.442 1.00 44.34 C ATOM 880 O ILE A 58 -13.276 -7.466 -10.652 1.00 64.45 O ATOM 881 CB ILE A 58 -11.033 -7.461 -8.850 1.00 13.04 C ATOM 882 CG1 ILE A 58 -9.907 -8.045 -7.994 1.00 72.11 C ATOM 883 CG2 ILE A 58 -11.175 -5.967 -8.600 1.00 34.04 C ATOM 884 CD1 ILE A 58 -8.570 -8.084 -8.700 1.00 70.13 C ATOM 0 H ILE A 58 -11.992 -9.903 -9.693 1.00 3.20 H new ATOM 0 HA ILE A 58 -12.624 -8.025 -7.506 1.00 42.04 H new ATOM 0 HB ILE A 58 -10.782 -7.612 -9.900 1.00 13.04 H new ATOM 0 HG12 ILE A 58 -9.811 -7.455 -7.083 1.00 72.11 H new ATOM 0 HG13 ILE A 58 -10.179 -9.056 -7.691 1.00 72.11 H new ATOM 0 HG21 ILE A 58 -10.229 -5.471 -8.815 1.00 34.04 H new ATOM 0 HG22 ILE A 58 -11.952 -5.562 -9.248 1.00 34.04 H new ATOM 0 HG23 ILE A 58 -11.446 -5.797 -7.558 1.00 34.04 H new ATOM 0 HD11 ILE A 58 -7.819 -8.510 -8.034 1.00 70.13 H new ATOM 0 HD12 ILE A 58 -8.650 -8.699 -9.597 1.00 70.13 H new ATOM 0 HD13 ILE A 58 -8.276 -7.072 -8.979 1.00 70.13 H new ATOM 896 N GLU A 59 -14.584 -7.255 -8.833 1.00 63.25 N ATOM 897 CA GLU A 59 -15.705 -6.686 -9.571 1.00 51.15 C ATOM 898 C GLU A 59 -15.491 -5.196 -9.823 1.00 21.04 C ATOM 899 O GLU A 59 -14.593 -4.583 -9.247 1.00 41.53 O ATOM 900 CB GLU A 59 -17.011 -6.902 -8.805 1.00 35.51 C ATOM 901 CG GLU A 59 -17.131 -8.284 -8.184 1.00 71.22 C ATOM 902 CD GLU A 59 -16.626 -8.327 -6.755 1.00 70.51 C ATOM 903 OE1 GLU A 59 -17.250 -7.685 -5.885 1.00 33.52 O ATOM 904 OE2 GLU A 59 -15.606 -9.004 -6.507 1.00 61.23 O ATOM 0 H GLU A 59 -14.747 -7.359 -7.831 1.00 63.25 H new ATOM 0 HA GLU A 59 -15.768 -7.194 -10.533 1.00 51.15 H new ATOM 0 HB2 GLU A 59 -17.090 -6.151 -8.019 1.00 35.51 H new ATOM 0 HB3 GLU A 59 -17.850 -6.743 -9.482 1.00 35.51 H new ATOM 0 HG2 GLU A 59 -18.174 -8.599 -8.206 1.00 71.22 H new ATOM 0 HG3 GLU A 59 -16.569 -8.999 -8.786 1.00 71.22 H new ATOM 911 N GLU A 60 -16.323 -4.622 -10.686 1.00 44.14 N ATOM 912 CA GLU A 60 -16.223 -3.205 -11.015 1.00 11.32 C ATOM 913 C GLU A 60 -16.250 -2.350 -9.751 1.00 31.12 C ATOM 914 O GLU A 60 -15.658 -1.272 -9.705 1.00 3.11 O ATOM 915 CB GLU A 60 -17.365 -2.793 -11.947 1.00 1.05 C ATOM 916 CG GLU A 60 -17.129 -3.167 -13.400 1.00 50.43 C ATOM 917 CD GLU A 60 -18.421 -3.380 -14.165 1.00 11.31 C ATOM 918 OE1 GLU A 60 -19.123 -2.382 -14.432 1.00 11.11 O ATOM 919 OE2 GLU A 60 -18.730 -4.543 -14.496 1.00 32.31 O ATOM 0 H GLU A 60 -17.073 -5.116 -11.170 1.00 44.14 H new ATOM 0 HA GLU A 60 -15.272 -3.042 -11.523 1.00 11.32 H new ATOM 0 HB2 GLU A 60 -18.288 -3.261 -11.605 1.00 1.05 H new ATOM 0 HB3 GLU A 60 -17.509 -1.715 -11.877 1.00 1.05 H new ATOM 0 HG2 GLU A 60 -16.550 -2.381 -13.884 1.00 50.43 H new ATOM 0 HG3 GLU A 60 -16.531 -4.077 -13.444 1.00 50.43 H new ATOM 926 N ASP A 61 -16.942 -2.839 -8.728 1.00 30.51 N ATOM 927 CA ASP A 61 -17.047 -2.122 -7.463 1.00 22.04 C ATOM 928 C ASP A 61 -15.674 -1.949 -6.821 1.00 23.13 C ATOM 929 O ASP A 61 -15.470 -1.053 -6.002 1.00 22.40 O ATOM 930 CB ASP A 61 -17.981 -2.865 -6.506 1.00 63.22 C ATOM 931 CG ASP A 61 -18.662 -1.934 -5.522 1.00 63.51 C ATOM 932 OD1 ASP A 61 -19.171 -0.881 -5.958 1.00 34.14 O ATOM 933 OD2 ASP A 61 -18.684 -2.259 -4.316 1.00 51.11 O ATOM 0 H ASP A 61 -17.439 -3.730 -8.750 1.00 30.51 H new ATOM 0 HA ASP A 61 -17.460 -1.134 -7.667 1.00 22.04 H new ATOM 0 HB2 ASP A 61 -18.738 -3.397 -7.082 1.00 63.22 H new ATOM 0 HB3 ASP A 61 -17.412 -3.616 -5.957 1.00 63.22 H new ATOM 938 N GLU A 62 -14.737 -2.813 -7.198 1.00 24.32 N ATOM 939 CA GLU A 62 -13.384 -2.756 -6.657 1.00 23.32 C ATOM 940 C GLU A 62 -12.381 -2.368 -7.739 1.00 63.54 C ATOM 941 O GLU A 62 -11.266 -1.936 -7.443 1.00 52.40 O ATOM 942 CB GLU A 62 -12.997 -4.106 -6.048 1.00 0.34 C ATOM 943 CG GLU A 62 -13.825 -5.268 -6.569 1.00 24.41 C ATOM 944 CD GLU A 62 -13.730 -6.495 -5.683 1.00 32.24 C ATOM 945 OE1 GLU A 62 -12.606 -7.003 -5.489 1.00 0.32 O ATOM 946 OE2 GLU A 62 -14.782 -6.947 -5.183 1.00 23.53 O ATOM 0 H GLU A 62 -14.890 -3.560 -7.875 1.00 24.32 H new ATOM 0 HA GLU A 62 -13.364 -1.994 -5.877 1.00 23.32 H new ATOM 0 HB2 GLU A 62 -11.944 -4.300 -6.254 1.00 0.34 H new ATOM 0 HB3 GLU A 62 -13.105 -4.051 -4.965 1.00 0.34 H new ATOM 0 HG2 GLU A 62 -14.868 -4.960 -6.647 1.00 24.41 H new ATOM 0 HG3 GLU A 62 -13.492 -5.524 -7.575 1.00 24.41 H new ATOM 953 N LEU A 63 -12.784 -2.527 -8.995 1.00 61.22 N ATOM 954 CA LEU A 63 -11.921 -2.195 -10.124 1.00 12.54 C ATOM 955 C LEU A 63 -11.776 -0.683 -10.271 1.00 73.32 C ATOM 956 O LEU A 63 -10.751 -0.190 -10.742 1.00 11.23 O ATOM 957 CB LEU A 63 -12.483 -2.793 -11.414 1.00 71.03 C ATOM 958 CG LEU A 63 -11.464 -3.438 -12.354 1.00 51.35 C ATOM 959 CD1 LEU A 63 -12.124 -3.835 -13.666 1.00 32.14 C ATOM 960 CD2 LEU A 63 -10.299 -2.492 -12.607 1.00 63.31 C ATOM 0 H LEU A 63 -13.703 -2.884 -9.257 1.00 61.22 H new ATOM 0 HA LEU A 63 -10.935 -2.620 -9.934 1.00 12.54 H new ATOM 0 HB2 LEU A 63 -13.228 -3.543 -11.149 1.00 71.03 H new ATOM 0 HB3 LEU A 63 -13.003 -2.006 -11.959 1.00 71.03 H new ATOM 0 HG LEU A 63 -11.078 -4.339 -11.877 1.00 51.35 H new ATOM 0 HD11 LEU A 63 -11.383 -4.292 -14.322 1.00 32.14 H new ATOM 0 HD12 LEU A 63 -12.924 -4.548 -13.469 1.00 32.14 H new ATOM 0 HD13 LEU A 63 -12.538 -2.949 -14.148 1.00 32.14 H new ATOM 0 HD21 LEU A 63 -9.583 -2.967 -13.278 1.00 63.31 H new ATOM 0 HD22 LEU A 63 -10.669 -1.573 -13.062 1.00 63.31 H new ATOM 0 HD23 LEU A 63 -9.809 -2.257 -11.662 1.00 63.31 H new ATOM 972 N LYS A 64 -12.809 0.047 -9.864 1.00 42.33 N ATOM 973 CA LYS A 64 -12.797 1.503 -9.947 1.00 44.03 C ATOM 974 C LYS A 64 -11.687 2.088 -9.079 1.00 52.23 C ATOM 975 O LYS A 64 -11.181 3.177 -9.353 1.00 22.32 O ATOM 976 CB LYS A 64 -14.150 2.070 -9.514 1.00 54.44 C ATOM 977 CG LYS A 64 -14.668 1.483 -8.213 1.00 31.20 C ATOM 978 CD LYS A 64 -15.537 2.476 -7.460 1.00 35.42 C ATOM 979 CE LYS A 64 -16.750 2.889 -8.280 1.00 33.45 C ATOM 980 NZ LYS A 64 -17.953 3.093 -7.426 1.00 12.01 N ATOM 0 H LYS A 64 -13.665 -0.346 -9.473 1.00 42.33 H new ATOM 0 HA LYS A 64 -12.608 1.782 -10.984 1.00 44.03 H new ATOM 0 HB2 LYS A 64 -14.063 3.151 -9.406 1.00 54.44 H new ATOM 0 HB3 LYS A 64 -14.880 1.886 -10.302 1.00 54.44 H new ATOM 0 HG2 LYS A 64 -15.243 0.581 -8.423 1.00 31.20 H new ATOM 0 HG3 LYS A 64 -13.827 1.186 -7.587 1.00 31.20 H new ATOM 0 HD2 LYS A 64 -15.866 2.034 -6.520 1.00 35.42 H new ATOM 0 HD3 LYS A 64 -14.949 3.359 -7.209 1.00 35.42 H new ATOM 0 HE2 LYS A 64 -16.527 3.809 -8.820 1.00 33.45 H new ATOM 0 HE3 LYS A 64 -16.961 2.124 -9.028 1.00 33.45 H new ATOM 0 HZ1 LYS A 64 -18.758 3.373 -8.022 1.00 12.01 H new ATOM 0 HZ2 LYS A 64 -18.181 2.208 -6.930 1.00 12.01 H new ATOM 0 HZ3 LYS A 64 -17.761 3.841 -6.729 1.00 12.01 H new ATOM 994 N TYR A 65 -11.314 1.359 -8.034 1.00 25.01 N ATOM 995 CA TYR A 65 -10.265 1.807 -7.126 1.00 25.45 C ATOM 996 C TYR A 65 -8.906 1.258 -7.550 1.00 23.33 C ATOM 997 O TYR A 65 -7.988 1.142 -6.737 1.00 14.13 O ATOM 998 CB TYR A 65 -10.579 1.369 -5.694 1.00 55.20 C ATOM 999 CG TYR A 65 -11.842 1.987 -5.136 1.00 5.21 C ATOM 1000 CD1 TYR A 65 -11.992 3.367 -5.069 1.00 70.14 C ATOM 1001 CD2 TYR A 65 -12.883 1.192 -4.674 1.00 62.32 C ATOM 1002 CE1 TYR A 65 -13.143 3.936 -4.560 1.00 0.24 C ATOM 1003 CE2 TYR A 65 -14.038 1.752 -4.164 1.00 42.22 C ATOM 1004 CZ TYR A 65 -14.163 3.125 -4.109 1.00 31.32 C ATOM 1005 OH TYR A 65 -15.312 3.687 -3.600 1.00 65.12 O ATOM 0 H TYR A 65 -11.722 0.455 -7.794 1.00 25.01 H new ATOM 0 HA TYR A 65 -10.226 2.896 -7.166 1.00 25.45 H new ATOM 0 HB2 TYR A 65 -10.673 0.283 -5.667 1.00 55.20 H new ATOM 0 HB3 TYR A 65 -9.740 1.632 -5.050 1.00 55.20 H new ATOM 0 HD1 TYR A 65 -11.195 4.005 -5.421 1.00 70.14 H new ATOM 0 HD2 TYR A 65 -12.788 0.117 -4.714 1.00 62.32 H new ATOM 0 HE1 TYR A 65 -13.244 5.010 -4.515 1.00 0.24 H new ATOM 0 HE2 TYR A 65 -14.838 1.119 -3.810 1.00 42.22 H new ATOM 0 HH TYR A 65 -15.931 2.977 -3.328 1.00 65.12 H new ATOM 1015 N PHE A 66 -8.784 0.921 -8.830 1.00 13.15 N ATOM 1016 CA PHE A 66 -7.538 0.384 -9.364 1.00 34.22 C ATOM 1017 C PHE A 66 -6.376 1.335 -9.095 1.00 11.21 C ATOM 1018 O PHE A 66 -5.225 0.912 -8.984 1.00 22.42 O ATOM 1019 CB PHE A 66 -7.670 0.133 -10.868 1.00 4.25 C ATOM 1020 CG PHE A 66 -6.355 -0.108 -11.552 1.00 63.11 C ATOM 1021 CD1 PHE A 66 -5.676 -1.303 -11.376 1.00 71.24 C ATOM 1022 CD2 PHE A 66 -5.797 0.861 -12.371 1.00 21.42 C ATOM 1023 CE1 PHE A 66 -4.466 -1.529 -12.005 1.00 40.32 C ATOM 1024 CE2 PHE A 66 -4.587 0.641 -13.002 1.00 74.35 C ATOM 1025 CZ PHE A 66 -3.921 -0.555 -12.818 1.00 45.25 C ATOM 0 H PHE A 66 -9.533 1.010 -9.517 1.00 13.15 H new ATOM 0 HA PHE A 66 -7.334 -0.561 -8.861 1.00 34.22 H new ATOM 0 HB2 PHE A 66 -8.318 -0.729 -11.029 1.00 4.25 H new ATOM 0 HB3 PHE A 66 -8.159 0.990 -11.330 1.00 4.25 H new ATOM 0 HD1 PHE A 66 -6.097 -2.067 -10.740 1.00 71.24 H new ATOM 0 HD2 PHE A 66 -6.313 1.798 -12.518 1.00 21.42 H new ATOM 0 HE1 PHE A 66 -3.948 -2.466 -11.861 1.00 40.32 H new ATOM 0 HE2 PHE A 66 -4.163 1.404 -13.638 1.00 74.35 H new ATOM 0 HZ PHE A 66 -2.975 -0.728 -13.309 1.00 45.25 H new ATOM 1035 N LEU A 67 -6.686 2.623 -8.992 1.00 25.01 N ATOM 1036 CA LEU A 67 -5.668 3.636 -8.737 1.00 4.35 C ATOM 1037 C LEU A 67 -5.364 3.740 -7.245 1.00 71.53 C ATOM 1038 O LEU A 67 -4.333 4.281 -6.849 1.00 4.12 O ATOM 1039 CB LEU A 67 -6.127 4.994 -9.270 1.00 43.44 C ATOM 1040 CG LEU A 67 -7.093 4.958 -10.455 1.00 0.21 C ATOM 1041 CD1 LEU A 67 -7.188 6.328 -11.108 1.00 51.12 C ATOM 1042 CD2 LEU A 67 -6.655 3.911 -11.469 1.00 12.05 C ATOM 0 H LEU A 67 -7.633 2.990 -9.081 1.00 25.01 H new ATOM 0 HA LEU A 67 -4.757 3.338 -9.255 1.00 4.35 H new ATOM 0 HB2 LEU A 67 -6.603 5.540 -8.455 1.00 43.44 H new ATOM 0 HB3 LEU A 67 -5.245 5.564 -9.563 1.00 43.44 H new ATOM 0 HG LEU A 67 -8.081 4.685 -10.085 1.00 0.21 H new ATOM 0 HD11 LEU A 67 -7.880 6.283 -11.949 1.00 51.12 H new ATOM 0 HD12 LEU A 67 -7.549 7.054 -10.380 1.00 51.12 H new ATOM 0 HD13 LEU A 67 -6.203 6.630 -11.464 1.00 51.12 H new ATOM 0 HD21 LEU A 67 -7.354 3.900 -12.305 1.00 12.05 H new ATOM 0 HD22 LEU A 67 -5.657 4.153 -11.834 1.00 12.05 H new ATOM 0 HD23 LEU A 67 -6.640 2.929 -10.995 1.00 12.05 H new ATOM 1054 N GLN A 68 -6.269 3.215 -6.425 1.00 25.41 N ATOM 1055 CA GLN A 68 -6.096 3.247 -4.977 1.00 60.24 C ATOM 1056 C GLN A 68 -5.208 2.099 -4.509 1.00 62.34 C ATOM 1057 O GLN A 68 -4.997 1.913 -3.311 1.00 33.33 O ATOM 1058 CB GLN A 68 -7.455 3.173 -4.279 1.00 2.52 C ATOM 1059 CG GLN A 68 -7.921 4.505 -3.713 1.00 42.33 C ATOM 1060 CD GLN A 68 -9.155 5.037 -4.414 1.00 52.34 C ATOM 1061 OE1 GLN A 68 -10.173 5.314 -3.779 1.00 51.43 O ATOM 1062 NE2 GLN A 68 -9.072 5.183 -5.732 1.00 5.14 N ATOM 0 H GLN A 68 -7.128 2.763 -6.738 1.00 25.41 H new ATOM 0 HA GLN A 68 -5.611 4.187 -4.715 1.00 60.24 H new ATOM 0 HB2 GLN A 68 -8.199 2.808 -4.988 1.00 2.52 H new ATOM 0 HB3 GLN A 68 -7.400 2.443 -3.471 1.00 2.52 H new ATOM 0 HG2 GLN A 68 -8.133 4.390 -2.650 1.00 42.33 H new ATOM 0 HG3 GLN A 68 -7.116 5.234 -3.800 1.00 42.33 H new ATOM 0 HE21 GLN A 68 -8.209 4.941 -6.219 1.00 5.14 H new ATOM 0 HE22 GLN A 68 -9.872 5.537 -6.257 1.00 5.14 H new ATOM 1071 N ARG A 69 -4.690 1.331 -5.463 1.00 2.32 N ATOM 1072 CA ARG A 69 -3.826 0.200 -5.148 1.00 4.22 C ATOM 1073 C ARG A 69 -2.360 0.553 -5.386 1.00 72.31 C ATOM 1074 O ARG A 69 -1.469 0.035 -4.713 1.00 22.11 O ATOM 1075 CB ARG A 69 -4.213 -1.015 -5.992 1.00 64.41 C ATOM 1076 CG ARG A 69 -5.666 -1.010 -6.437 1.00 31.34 C ATOM 1077 CD ARG A 69 -6.612 -0.957 -5.247 1.00 52.13 C ATOM 1078 NE ARG A 69 -7.832 -1.725 -5.483 1.00 24.30 N ATOM 1079 CZ ARG A 69 -8.829 -1.807 -4.610 1.00 12.23 C ATOM 1080 NH1 ARG A 69 -8.752 -1.170 -3.449 1.00 75.12 N ATOM 1081 NH2 ARG A 69 -9.907 -2.526 -4.897 1.00 23.13 N ATOM 0 H ARG A 69 -4.854 1.472 -6.460 1.00 2.32 H new ATOM 0 HA ARG A 69 -3.957 -0.043 -4.093 1.00 4.22 H new ATOM 0 HB2 ARG A 69 -3.572 -1.054 -6.873 1.00 64.41 H new ATOM 0 HB3 ARG A 69 -4.021 -1.921 -5.418 1.00 64.41 H new ATOM 0 HG2 ARG A 69 -5.846 -0.152 -7.085 1.00 31.34 H new ATOM 0 HG3 ARG A 69 -5.870 -1.904 -7.026 1.00 31.34 H new ATOM 0 HD2 ARG A 69 -6.105 -1.344 -4.363 1.00 52.13 H new ATOM 0 HD3 ARG A 69 -6.872 0.080 -5.036 1.00 52.13 H new ATOM 0 HE ARG A 69 -7.923 -2.226 -6.367 1.00 24.30 H new ATOM 0 HH11 ARG A 69 -7.926 -0.616 -3.225 1.00 75.12 H new ATOM 0 HH12 ARG A 69 -9.519 -1.235 -2.780 1.00 75.12 H new ATOM 0 HH21 ARG A 69 -9.970 -3.016 -5.789 1.00 23.13 H new ATOM 0 HH22 ARG A 69 -10.672 -2.588 -4.225 1.00 23.13 H new ATOM 1095 N PHE A 70 -2.119 1.436 -6.349 1.00 4.32 N ATOM 1096 CA PHE A 70 -0.762 1.857 -6.677 1.00 44.14 C ATOM 1097 C PHE A 70 -0.488 3.265 -6.158 1.00 1.35 C ATOM 1098 O PHE A 70 0.662 3.695 -6.077 1.00 42.21 O ATOM 1099 CB PHE A 70 -0.542 1.808 -8.191 1.00 11.32 C ATOM 1100 CG PHE A 70 -0.361 0.417 -8.726 1.00 24.43 C ATOM 1101 CD1 PHE A 70 -1.457 -0.395 -8.969 1.00 40.33 C ATOM 1102 CD2 PHE A 70 0.907 -0.081 -8.984 1.00 54.44 C ATOM 1103 CE1 PHE A 70 -1.294 -1.676 -9.462 1.00 5.12 C ATOM 1104 CE2 PHE A 70 1.076 -1.361 -9.477 1.00 43.53 C ATOM 1105 CZ PHE A 70 -0.025 -2.160 -9.715 1.00 50.42 C ATOM 0 H PHE A 70 -2.845 1.874 -6.916 1.00 4.32 H new ATOM 0 HA PHE A 70 -0.069 1.169 -6.193 1.00 44.14 H new ATOM 0 HB2 PHE A 70 -1.393 2.272 -8.689 1.00 11.32 H new ATOM 0 HB3 PHE A 70 0.337 2.402 -8.442 1.00 11.32 H new ATOM 0 HD1 PHE A 70 -2.451 -0.022 -8.771 1.00 40.33 H new ATOM 0 HD2 PHE A 70 1.772 0.538 -8.798 1.00 54.44 H new ATOM 0 HE1 PHE A 70 -2.157 -2.297 -9.649 1.00 5.12 H new ATOM 0 HE2 PHE A 70 2.069 -1.736 -9.676 1.00 43.53 H new ATOM 0 HZ PHE A 70 0.106 -3.161 -10.098 1.00 50.42 H new ATOM 1115 N GLU A 71 -1.554 3.978 -5.807 1.00 30.12 N ATOM 1116 CA GLU A 71 -1.429 5.338 -5.296 1.00 43.03 C ATOM 1117 C GLU A 71 -1.910 5.423 -3.850 1.00 65.15 C ATOM 1118 O GLU A 71 -1.363 6.178 -3.047 1.00 11.33 O ATOM 1119 CB GLU A 71 -2.227 6.309 -6.169 1.00 2.45 C ATOM 1120 CG GLU A 71 -1.954 7.771 -5.858 1.00 1.54 C ATOM 1121 CD GLU A 71 -0.474 8.071 -5.716 1.00 12.42 C ATOM 1122 OE1 GLU A 71 0.098 7.749 -4.654 1.00 30.11 O ATOM 1123 OE2 GLU A 71 0.111 8.629 -6.668 1.00 23.22 O ATOM 0 H GLU A 71 -2.513 3.636 -5.867 1.00 30.12 H new ATOM 0 HA GLU A 71 -0.375 5.615 -5.326 1.00 43.03 H new ATOM 0 HB2 GLU A 71 -1.993 6.119 -7.217 1.00 2.45 H new ATOM 0 HB3 GLU A 71 -3.291 6.111 -6.039 1.00 2.45 H new ATOM 0 HG2 GLU A 71 -2.372 8.391 -6.651 1.00 1.54 H new ATOM 0 HG3 GLU A 71 -2.466 8.044 -4.936 1.00 1.54 H new ATOM 1130 N SER A 72 -2.936 4.643 -3.528 1.00 31.33 N ATOM 1131 CA SER A 72 -3.494 4.632 -2.181 1.00 12.15 C ATOM 1132 C SER A 72 -4.023 6.012 -1.801 1.00 22.03 C ATOM 1133 O SER A 72 -3.576 6.613 -0.825 1.00 11.41 O ATOM 1134 CB SER A 72 -2.436 4.183 -1.171 1.00 11.22 C ATOM 1135 OG SER A 72 -1.555 3.232 -1.744 1.00 14.33 O ATOM 0 H SER A 72 -3.398 4.010 -4.181 1.00 31.33 H new ATOM 0 HA SER A 72 -4.324 3.926 -2.164 1.00 12.15 H new ATOM 0 HB2 SER A 72 -1.869 5.047 -0.826 1.00 11.22 H new ATOM 0 HB3 SER A 72 -2.923 3.751 -0.297 1.00 11.22 H new ATOM 0 HG SER A 72 -0.887 2.962 -1.079 1.00 14.33 H new ATOM 1141 N GLY A 73 -4.979 6.508 -2.581 1.00 3.03 N ATOM 1142 CA GLY A 73 -5.553 7.813 -2.311 1.00 53.11 C ATOM 1143 C GLY A 73 -6.031 8.508 -3.571 1.00 21.31 C ATOM 1144 O GLY A 73 -6.799 9.467 -3.506 1.00 4.34 O ATOM 0 H GLY A 73 -5.366 6.029 -3.394 1.00 3.03 H new ATOM 0 HA2 GLY A 73 -6.389 7.703 -1.621 1.00 53.11 H new ATOM 0 HA3 GLY A 73 -4.810 8.438 -1.815 1.00 53.11 H new ATOM 1148 N ALA A 74 -5.574 8.023 -4.721 1.00 53.42 N ATOM 1149 CA ALA A 74 -5.960 8.604 -6.001 1.00 61.14 C ATOM 1150 C ALA A 74 -7.452 8.422 -6.259 1.00 42.05 C ATOM 1151 O ALA A 74 -8.150 7.767 -5.485 1.00 61.15 O ATOM 1152 CB ALA A 74 -5.148 7.983 -7.128 1.00 42.24 C ATOM 0 H ALA A 74 -4.937 7.230 -4.792 1.00 53.42 H new ATOM 0 HA ALA A 74 -5.752 9.673 -5.964 1.00 61.14 H new ATOM 0 HB1 ALA A 74 -5.446 8.426 -8.078 1.00 42.24 H new ATOM 0 HB2 ALA A 74 -4.088 8.169 -6.958 1.00 42.24 H new ATOM 0 HB3 ALA A 74 -5.328 6.908 -7.156 1.00 42.24 H new ATOM 1158 N ARG A 75 -7.934 9.006 -7.351 1.00 53.52 N ATOM 1159 CA ARG A 75 -9.344 8.910 -7.710 1.00 11.13 C ATOM 1160 C ARG A 75 -9.694 7.496 -8.164 1.00 12.10 C ATOM 1161 O ARG A 75 -8.871 6.584 -8.080 1.00 55.21 O ATOM 1162 CB ARG A 75 -9.680 9.911 -8.817 1.00 33.21 C ATOM 1163 CG ARG A 75 -8.882 9.699 -10.093 1.00 24.34 C ATOM 1164 CD ARG A 75 -9.664 10.139 -11.320 1.00 15.23 C ATOM 1165 NE ARG A 75 -10.485 11.317 -11.051 1.00 75.15 N ATOM 1166 CZ ARG A 75 -9.984 12.527 -10.828 1.00 75.33 C ATOM 1167 NH1 ARG A 75 -8.672 12.717 -10.842 1.00 14.33 N ATOM 1168 NH2 ARG A 75 -10.796 13.549 -10.592 1.00 15.13 N ATOM 0 H ARG A 75 -7.369 9.551 -8.003 1.00 53.52 H new ATOM 0 HA ARG A 75 -9.935 9.146 -6.825 1.00 11.13 H new ATOM 0 HB2 ARG A 75 -10.743 9.841 -9.048 1.00 33.21 H new ATOM 0 HB3 ARG A 75 -9.499 10.921 -8.449 1.00 33.21 H new ATOM 0 HG2 ARG A 75 -7.948 10.258 -10.036 1.00 24.34 H new ATOM 0 HG3 ARG A 75 -8.618 8.646 -10.187 1.00 24.34 H new ATOM 0 HD2 ARG A 75 -8.971 10.358 -12.133 1.00 15.23 H new ATOM 0 HD3 ARG A 75 -10.302 9.321 -11.656 1.00 15.23 H new ATOM 0 HE ARG A 75 -11.499 11.204 -11.033 1.00 75.15 H new ATOM 0 HH11 ARG A 75 -8.045 11.933 -11.024 1.00 14.33 H new ATOM 0 HH12 ARG A 75 -8.289 13.647 -10.671 1.00 14.33 H new ATOM 0 HH21 ARG A 75 -11.806 13.406 -10.582 1.00 15.13 H new ATOM 0 HH22 ARG A 75 -10.410 14.478 -10.421 1.00 15.13 H new ATOM 1182 N VAL A 76 -10.921 7.321 -8.645 1.00 10.20 N ATOM 1183 CA VAL A 76 -11.380 6.019 -9.113 1.00 72.00 C ATOM 1184 C VAL A 76 -11.467 5.981 -10.635 1.00 2.14 C ATOM 1185 O VAL A 76 -10.958 6.870 -11.319 1.00 14.32 O ATOM 1186 CB VAL A 76 -12.758 5.664 -8.522 1.00 42.04 C ATOM 1187 CG1 VAL A 76 -12.781 5.927 -7.025 1.00 3.45 C ATOM 1188 CG2 VAL A 76 -13.856 6.446 -9.226 1.00 53.15 C ATOM 0 H VAL A 76 -11.615 8.065 -8.721 1.00 10.20 H new ATOM 0 HA VAL A 76 -10.648 5.285 -8.775 1.00 72.00 H new ATOM 0 HB VAL A 76 -12.940 4.601 -8.682 1.00 42.04 H new ATOM 0 HG11 VAL A 76 -13.762 5.670 -6.626 1.00 3.45 H new ATOM 0 HG12 VAL A 76 -12.020 5.318 -6.537 1.00 3.45 H new ATOM 0 HG13 VAL A 76 -12.577 6.981 -6.838 1.00 3.45 H new ATOM 0 HG21 VAL A 76 -14.823 6.183 -8.796 1.00 53.15 H new ATOM 0 HG22 VAL A 76 -13.681 7.514 -9.099 1.00 53.15 H new ATOM 0 HG23 VAL A 76 -13.853 6.202 -10.288 1.00 53.15 H new ATOM 1198 N LEU A 77 -12.114 4.947 -11.159 1.00 72.51 N ATOM 1199 CA LEU A 77 -12.269 4.792 -12.602 1.00 3.15 C ATOM 1200 C LEU A 77 -13.683 5.157 -13.040 1.00 13.32 C ATOM 1201 O LEU A 77 -14.664 4.745 -12.419 1.00 62.11 O ATOM 1202 CB LEU A 77 -11.948 3.355 -13.018 1.00 15.43 C ATOM 1203 CG LEU A 77 -10.598 2.808 -12.556 1.00 4.04 C ATOM 1204 CD1 LEU A 77 -10.343 1.436 -13.160 1.00 65.00 C ATOM 1205 CD2 LEU A 77 -9.478 3.771 -12.923 1.00 11.12 C ATOM 0 H LEU A 77 -12.540 4.203 -10.607 1.00 72.51 H new ATOM 0 HA LEU A 77 -11.571 5.470 -13.093 1.00 3.15 H new ATOM 0 HB2 LEU A 77 -12.732 2.703 -12.633 1.00 15.43 H new ATOM 0 HB3 LEU A 77 -11.989 3.295 -14.106 1.00 15.43 H new ATOM 0 HG LEU A 77 -10.621 2.706 -11.471 1.00 4.04 H new ATOM 0 HD11 LEU A 77 -9.377 1.062 -12.820 1.00 65.00 H new ATOM 0 HD12 LEU A 77 -11.129 0.749 -12.846 1.00 65.00 H new ATOM 0 HD13 LEU A 77 -10.340 1.512 -14.247 1.00 65.00 H new ATOM 0 HD21 LEU A 77 -8.524 3.365 -12.586 1.00 11.12 H new ATOM 0 HD22 LEU A 77 -9.454 3.906 -14.004 1.00 11.12 H new ATOM 0 HD23 LEU A 77 -9.653 4.733 -12.442 1.00 11.12 H new ATOM 1217 N THR A 78 -13.783 5.932 -14.115 1.00 43.35 N ATOM 1218 CA THR A 78 -15.077 6.352 -14.638 1.00 2.30 C ATOM 1219 C THR A 78 -15.750 5.224 -15.410 1.00 74.31 C ATOM 1220 O THR A 78 -15.214 4.121 -15.509 1.00 72.54 O ATOM 1221 CB THR A 78 -14.939 7.579 -15.560 1.00 33.24 C ATOM 1222 OG1 THR A 78 -16.234 8.023 -15.980 1.00 1.30 O ATOM 1223 CG2 THR A 78 -14.091 7.248 -16.778 1.00 62.20 C ATOM 0 H THR A 78 -12.982 6.282 -14.641 1.00 43.35 H new ATOM 0 HA THR A 78 -15.693 6.619 -13.780 1.00 2.30 H new ATOM 0 HB THR A 78 -14.446 8.374 -15.000 1.00 33.24 H new ATOM 0 HG1 THR A 78 -16.138 8.804 -16.564 1.00 1.30 H new ATOM 0 HG21 THR A 78 -14.008 8.129 -17.414 1.00 62.20 H new ATOM 0 HG22 THR A 78 -13.097 6.938 -16.456 1.00 62.20 H new ATOM 0 HG23 THR A 78 -14.560 6.439 -17.339 1.00 62.20 H new ATOM 1231 N ALA A 79 -16.928 5.507 -15.956 1.00 54.41 N ATOM 1232 CA ALA A 79 -17.674 4.516 -16.722 1.00 41.30 C ATOM 1233 C ALA A 79 -16.950 4.165 -18.017 1.00 41.44 C ATOM 1234 O ALA A 79 -17.302 3.200 -18.695 1.00 20.45 O ATOM 1235 CB ALA A 79 -19.076 5.026 -17.020 1.00 74.52 C ATOM 0 H ALA A 79 -17.387 6.415 -15.882 1.00 54.41 H new ATOM 0 HA ALA A 79 -17.749 3.609 -16.121 1.00 41.30 H new ATOM 0 HB1 ALA A 79 -19.622 4.276 -17.592 1.00 74.52 H new ATOM 0 HB2 ALA A 79 -19.599 5.220 -16.084 1.00 74.52 H new ATOM 0 HB3 ALA A 79 -19.013 5.948 -17.598 1.00 74.52 H new ATOM 1241 N SER A 80 -15.937 4.956 -18.357 1.00 10.52 N ATOM 1242 CA SER A 80 -15.166 4.732 -19.574 1.00 72.30 C ATOM 1243 C SER A 80 -13.808 4.116 -19.251 1.00 72.11 C ATOM 1244 O SER A 80 -13.079 3.691 -20.147 1.00 11.42 O ATOM 1245 CB SER A 80 -14.975 6.047 -20.332 1.00 73.32 C ATOM 1246 OG SER A 80 -14.181 5.857 -21.490 1.00 44.20 O ATOM 0 H SER A 80 -15.631 5.758 -17.806 1.00 10.52 H new ATOM 0 HA SER A 80 -15.721 4.036 -20.203 1.00 72.30 H new ATOM 0 HB2 SER A 80 -15.947 6.451 -20.616 1.00 73.32 H new ATOM 0 HB3 SER A 80 -14.502 6.781 -19.680 1.00 73.32 H new ATOM 0 HG SER A 80 -13.628 5.055 -21.380 1.00 44.20 H new ATOM 1252 N GLU A 81 -13.476 4.072 -17.965 1.00 33.44 N ATOM 1253 CA GLU A 81 -12.206 3.509 -17.523 1.00 63.31 C ATOM 1254 C GLU A 81 -12.377 2.057 -17.085 1.00 64.24 C ATOM 1255 O GLU A 81 -11.757 1.150 -17.644 1.00 15.42 O ATOM 1256 CB GLU A 81 -11.629 4.335 -16.372 1.00 2.31 C ATOM 1257 CG GLU A 81 -11.071 5.680 -16.808 1.00 24.40 C ATOM 1258 CD GLU A 81 -9.643 5.583 -17.310 1.00 51.34 C ATOM 1259 OE1 GLU A 81 -9.323 4.591 -17.999 1.00 2.54 O ATOM 1260 OE2 GLU A 81 -8.847 6.499 -17.016 1.00 22.35 O ATOM 0 H GLU A 81 -14.069 4.419 -17.211 1.00 33.44 H new ATOM 0 HA GLU A 81 -11.514 3.538 -18.364 1.00 63.31 H new ATOM 0 HB2 GLU A 81 -12.408 4.498 -15.627 1.00 2.31 H new ATOM 0 HB3 GLU A 81 -10.838 3.763 -15.886 1.00 2.31 H new ATOM 0 HG2 GLU A 81 -11.702 6.093 -17.595 1.00 24.40 H new ATOM 0 HG3 GLU A 81 -11.111 6.375 -15.969 1.00 24.40 H new ATOM 1267 N THR A 82 -13.221 1.843 -16.081 1.00 51.01 N ATOM 1268 CA THR A 82 -13.473 0.503 -15.566 1.00 40.03 C ATOM 1269 C THR A 82 -13.916 -0.439 -16.680 1.00 22.43 C ATOM 1270 O THR A 82 -13.402 -1.551 -16.808 1.00 1.12 O ATOM 1271 CB THR A 82 -14.548 0.518 -14.464 1.00 34.33 C ATOM 1272 OG1 THR A 82 -15.243 1.770 -14.474 1.00 33.33 O ATOM 1273 CG2 THR A 82 -13.924 0.290 -13.095 1.00 62.45 C ATOM 0 H THR A 82 -13.742 2.581 -15.608 1.00 51.01 H new ATOM 0 HA THR A 82 -12.535 0.145 -15.143 1.00 40.03 H new ATOM 0 HB THR A 82 -15.252 -0.290 -14.664 1.00 34.33 H new ATOM 0 HG1 THR A 82 -15.926 1.771 -13.771 1.00 33.33 H new ATOM 0 HG21 THR A 82 -14.703 0.305 -12.333 1.00 62.45 H new ATOM 0 HG22 THR A 82 -13.421 -0.677 -13.081 1.00 62.45 H new ATOM 0 HG23 THR A 82 -13.200 1.079 -12.889 1.00 62.45 H new ATOM 1281 N LYS A 83 -14.872 0.011 -17.484 1.00 53.23 N ATOM 1282 CA LYS A 83 -15.384 -0.791 -18.589 1.00 41.34 C ATOM 1283 C LYS A 83 -14.242 -1.328 -19.446 1.00 40.12 C ATOM 1284 O LYS A 83 -14.163 -2.527 -19.714 1.00 74.40 O ATOM 1285 CB LYS A 83 -16.335 0.041 -19.452 1.00 55.04 C ATOM 1286 CG LYS A 83 -17.785 -0.036 -19.007 1.00 35.42 C ATOM 1287 CD LYS A 83 -18.723 0.529 -20.060 1.00 15.10 C ATOM 1288 CE LYS A 83 -18.923 -0.446 -21.210 1.00 61.11 C ATOM 1289 NZ LYS A 83 -19.321 0.250 -22.465 1.00 14.12 N ATOM 0 H LYS A 83 -15.309 0.928 -17.391 1.00 53.23 H new ATOM 0 HA LYS A 83 -15.929 -1.637 -18.169 1.00 41.34 H new ATOM 0 HB2 LYS A 83 -16.013 1.082 -19.433 1.00 55.04 H new ATOM 0 HB3 LYS A 83 -16.263 -0.296 -20.486 1.00 55.04 H new ATOM 0 HG2 LYS A 83 -18.049 -1.074 -18.803 1.00 35.42 H new ATOM 0 HG3 LYS A 83 -17.910 0.514 -18.074 1.00 35.42 H new ATOM 0 HD2 LYS A 83 -19.686 0.759 -19.605 1.00 15.10 H new ATOM 0 HD3 LYS A 83 -18.320 1.467 -20.443 1.00 15.10 H new ATOM 0 HE2 LYS A 83 -18.001 -1.001 -21.380 1.00 61.11 H new ATOM 0 HE3 LYS A 83 -19.688 -1.174 -20.940 1.00 61.11 H new ATOM 0 HZ1 LYS A 83 -19.447 -0.449 -23.225 1.00 14.12 H new ATOM 0 HZ2 LYS A 83 -20.215 0.759 -22.311 1.00 14.12 H new ATOM 0 HZ3 LYS A 83 -18.579 0.926 -22.737 1.00 14.12 H new ATOM 1303 N THR A 84 -13.357 -0.433 -19.873 1.00 45.21 N ATOM 1304 CA THR A 84 -12.219 -0.817 -20.699 1.00 2.11 C ATOM 1305 C THR A 84 -11.435 -1.957 -20.059 1.00 74.54 C ATOM 1306 O THR A 84 -11.253 -3.014 -20.664 1.00 60.32 O ATOM 1307 CB THR A 84 -11.270 0.373 -20.936 1.00 63.12 C ATOM 1308 OG1 THR A 84 -12.018 1.521 -21.351 1.00 1.30 O ATOM 1309 CG2 THR A 84 -10.228 0.032 -21.991 1.00 2.11 C ATOM 0 H THR A 84 -13.406 0.563 -19.660 1.00 45.21 H new ATOM 0 HA THR A 84 -12.621 -1.148 -21.656 1.00 2.11 H new ATOM 0 HB THR A 84 -10.758 0.593 -19.999 1.00 63.12 H new ATOM 0 HG1 THR A 84 -12.212 2.084 -20.573 1.00 1.30 H new ATOM 0 HG21 THR A 84 -9.569 0.887 -22.142 1.00 2.11 H new ATOM 0 HG22 THR A 84 -9.641 -0.824 -21.659 1.00 2.11 H new ATOM 0 HG23 THR A 84 -10.726 -0.212 -22.929 1.00 2.11 H new ATOM 1317 N PHE A 85 -10.974 -1.738 -18.833 1.00 14.44 N ATOM 1318 CA PHE A 85 -10.210 -2.748 -18.111 1.00 3.13 C ATOM 1319 C PHE A 85 -10.940 -4.088 -18.114 1.00 10.35 C ATOM 1320 O PHE A 85 -10.344 -5.132 -18.378 1.00 64.44 O ATOM 1321 CB PHE A 85 -9.957 -2.295 -16.671 1.00 52.12 C ATOM 1322 CG PHE A 85 -8.859 -3.057 -15.987 1.00 32.54 C ATOM 1323 CD1 PHE A 85 -9.089 -4.328 -15.485 1.00 31.42 C ATOM 1324 CD2 PHE A 85 -7.597 -2.504 -15.845 1.00 40.25 C ATOM 1325 CE1 PHE A 85 -8.081 -5.032 -14.854 1.00 5.22 C ATOM 1326 CE2 PHE A 85 -6.584 -3.203 -15.216 1.00 13.43 C ATOM 1327 CZ PHE A 85 -6.826 -4.469 -14.720 1.00 53.22 C ATOM 0 H PHE A 85 -11.116 -0.869 -18.318 1.00 14.44 H new ATOM 0 HA PHE A 85 -9.253 -2.874 -18.618 1.00 3.13 H new ATOM 0 HB2 PHE A 85 -9.707 -1.234 -16.671 1.00 52.12 H new ATOM 0 HB3 PHE A 85 -10.877 -2.405 -16.097 1.00 52.12 H new ATOM 0 HD1 PHE A 85 -10.067 -4.774 -15.588 1.00 31.42 H new ATOM 0 HD2 PHE A 85 -7.402 -1.514 -16.231 1.00 40.25 H new ATOM 0 HE1 PHE A 85 -8.274 -6.021 -14.466 1.00 5.22 H new ATOM 0 HE2 PHE A 85 -5.605 -2.760 -15.113 1.00 13.43 H new ATOM 0 HZ PHE A 85 -6.036 -5.018 -14.229 1.00 53.22 H new ATOM 1337 N LEU A 86 -12.234 -4.050 -17.817 1.00 13.44 N ATOM 1338 CA LEU A 86 -13.048 -5.260 -17.784 1.00 23.11 C ATOM 1339 C LEU A 86 -13.211 -5.844 -19.183 1.00 73.15 C ATOM 1340 O LEU A 86 -13.469 -7.037 -19.343 1.00 5.12 O ATOM 1341 CB LEU A 86 -14.421 -4.959 -17.181 1.00 22.44 C ATOM 1342 CG LEU A 86 -15.303 -6.172 -16.883 1.00 34.11 C ATOM 1343 CD1 LEU A 86 -14.939 -6.780 -15.537 1.00 60.04 C ATOM 1344 CD2 LEU A 86 -16.774 -5.782 -16.913 1.00 41.13 C ATOM 0 H LEU A 86 -12.742 -3.194 -17.595 1.00 13.44 H new ATOM 0 HA LEU A 86 -12.538 -5.995 -17.161 1.00 23.11 H new ATOM 0 HB2 LEU A 86 -14.275 -4.404 -16.254 1.00 22.44 H new ATOM 0 HB3 LEU A 86 -14.960 -4.302 -17.864 1.00 22.44 H new ATOM 0 HG LEU A 86 -15.130 -6.921 -17.656 1.00 34.11 H new ATOM 0 HD11 LEU A 86 -15.577 -7.642 -15.342 1.00 60.04 H new ATOM 0 HD12 LEU A 86 -13.896 -7.097 -15.551 1.00 60.04 H new ATOM 0 HD13 LEU A 86 -15.082 -6.038 -14.752 1.00 60.04 H new ATOM 0 HD21 LEU A 86 -17.387 -6.657 -16.699 1.00 41.13 H new ATOM 0 HD22 LEU A 86 -16.962 -5.015 -16.162 1.00 41.13 H new ATOM 0 HD23 LEU A 86 -17.028 -5.394 -17.900 1.00 41.13 H new ATOM 1356 N ALA A 87 -13.058 -4.996 -20.195 1.00 14.52 N ATOM 1357 CA ALA A 87 -13.185 -5.428 -21.581 1.00 21.21 C ATOM 1358 C ALA A 87 -11.843 -5.897 -22.134 1.00 54.24 C ATOM 1359 O ALA A 87 -11.754 -6.336 -23.280 1.00 65.23 O ATOM 1360 CB ALA A 87 -13.747 -4.302 -22.436 1.00 64.11 C ATOM 0 H ALA A 87 -12.846 -4.005 -20.080 1.00 14.52 H new ATOM 0 HA ALA A 87 -13.876 -6.271 -21.612 1.00 21.21 H new ATOM 0 HB1 ALA A 87 -13.836 -4.639 -23.469 1.00 64.11 H new ATOM 0 HB2 ALA A 87 -14.730 -4.016 -22.061 1.00 64.11 H new ATOM 0 HB3 ALA A 87 -13.078 -3.443 -22.391 1.00 64.11 H new ATOM 1366 N ALA A 88 -10.803 -5.799 -21.313 1.00 71.11 N ATOM 1367 CA ALA A 88 -9.467 -6.214 -21.721 1.00 24.34 C ATOM 1368 C ALA A 88 -8.967 -7.373 -20.864 1.00 44.32 C ATOM 1369 O ALA A 88 -8.026 -8.072 -21.238 1.00 24.12 O ATOM 1370 CB ALA A 88 -8.502 -5.041 -21.640 1.00 3.33 C ATOM 0 H ALA A 88 -10.860 -5.436 -20.362 1.00 71.11 H new ATOM 0 HA ALA A 88 -9.519 -6.556 -22.755 1.00 24.34 H new ATOM 0 HB1 ALA A 88 -7.508 -5.366 -21.948 1.00 3.33 H new ATOM 0 HB2 ALA A 88 -8.843 -4.243 -22.299 1.00 3.33 H new ATOM 0 HB3 ALA A 88 -8.462 -4.673 -20.615 1.00 3.33 H new ATOM 1376 N ALA A 89 -9.602 -7.569 -19.714 1.00 31.24 N ATOM 1377 CA ALA A 89 -9.222 -8.644 -18.805 1.00 12.31 C ATOM 1378 C ALA A 89 -10.439 -9.459 -18.379 1.00 41.52 C ATOM 1379 O ALA A 89 -10.306 -10.512 -17.758 1.00 65.25 O ATOM 1380 CB ALA A 89 -8.511 -8.077 -17.585 1.00 52.31 C ATOM 0 H ALA A 89 -10.382 -6.998 -19.389 1.00 31.24 H new ATOM 0 HA ALA A 89 -8.539 -9.309 -19.334 1.00 12.31 H new ATOM 0 HB1 ALA A 89 -8.233 -8.891 -16.915 1.00 52.31 H new ATOM 0 HB2 ALA A 89 -7.614 -7.545 -17.901 1.00 52.31 H new ATOM 0 HB3 ALA A 89 -9.176 -7.389 -17.063 1.00 52.31 H new ATOM 1386 N ASP A 90 -11.625 -8.963 -18.717 1.00 1.44 N ATOM 1387 CA ASP A 90 -12.866 -9.645 -18.368 1.00 1.23 C ATOM 1388 C ASP A 90 -13.815 -9.691 -19.561 1.00 53.01 C ATOM 1389 O ASP A 90 -15.034 -9.752 -19.396 1.00 72.25 O ATOM 1390 CB ASP A 90 -13.544 -8.943 -17.189 1.00 61.31 C ATOM 1391 CG ASP A 90 -13.293 -9.653 -15.874 1.00 14.30 C ATOM 1392 OD1 ASP A 90 -13.355 -10.979 -15.894 1.00 64.03 O ATOM 1393 OD2 ASP A 90 -13.047 -9.015 -14.850 1.00 25.21 O ATOM 0 H ASP A 90 -11.753 -8.092 -19.232 1.00 1.44 H new ATOM 0 HA ASP A 90 -12.621 -10.668 -18.081 1.00 1.23 H new ATOM 0 HB2 ASP A 90 -13.179 -7.918 -17.121 1.00 61.31 H new ATOM 0 HB3 ASP A 90 -14.617 -8.888 -17.370 1.00 61.31 H new ATOM 1398 N HIS A 91 -13.248 -9.662 -20.763 1.00 53.20 N ATOM 1399 CA HIS A 91 -14.044 -9.702 -21.985 1.00 0.42 C ATOM 1400 C HIS A 91 -15.074 -10.825 -21.926 1.00 32.41 C ATOM 1401 O HIS A 91 -16.037 -10.839 -22.693 1.00 40.11 O ATOM 1402 CB HIS A 91 -13.138 -9.888 -23.203 1.00 13.45 C ATOM 1403 CG HIS A 91 -13.569 -9.093 -24.397 1.00 34.03 C ATOM 1404 ND1 HIS A 91 -12.681 -8.562 -25.308 1.00 11.33 N ATOM 1405 CD2 HIS A 91 -14.803 -8.742 -24.828 1.00 14.11 C ATOM 1406 CE1 HIS A 91 -13.350 -7.917 -26.247 1.00 10.43 C ATOM 1407 NE2 HIS A 91 -14.640 -8.011 -25.979 1.00 60.30 N ATOM 0 H HIS A 91 -12.241 -9.611 -20.917 1.00 53.20 H new ATOM 0 HA HIS A 91 -14.572 -8.753 -22.076 1.00 0.42 H new ATOM 0 HB2 HIS A 91 -12.120 -9.604 -22.935 1.00 13.45 H new ATOM 0 HB3 HIS A 91 -13.114 -10.945 -23.470 1.00 13.45 H new ATOM 0 HD2 HIS A 91 -15.741 -8.991 -24.355 1.00 14.11 H new ATOM 0 HE1 HIS A 91 -12.916 -7.401 -27.090 1.00 10.43 H new ATOM 0 HE2 HIS A 91 -15.393 -7.606 -26.536 1.00 60.30 H new ATOM 1415 N ASP A 92 -14.865 -11.766 -21.012 1.00 24.14 N ATOM 1416 CA ASP A 92 -15.775 -12.894 -20.852 1.00 52.04 C ATOM 1417 C ASP A 92 -17.178 -12.414 -20.493 1.00 42.42 C ATOM 1418 O ASP A 92 -18.170 -13.059 -20.827 1.00 35.24 O ATOM 1419 CB ASP A 92 -15.257 -13.847 -19.774 1.00 12.21 C ATOM 1420 CG ASP A 92 -14.265 -13.181 -18.841 1.00 41.20 C ATOM 1421 OD1 ASP A 92 -13.117 -12.941 -19.270 1.00 11.31 O ATOM 1422 OD2 ASP A 92 -14.636 -12.900 -17.682 1.00 21.42 O ATOM 0 H ASP A 92 -14.072 -11.770 -20.370 1.00 24.14 H new ATOM 0 HA ASP A 92 -15.824 -13.426 -21.802 1.00 52.04 H new ATOM 0 HB2 ASP A 92 -16.098 -14.227 -19.194 1.00 12.21 H new ATOM 0 HB3 ASP A 92 -14.784 -14.706 -20.249 1.00 12.21 H new ATOM 1427 N GLY A 93 -17.251 -11.275 -19.810 1.00 32.45 N ATOM 1428 CA GLY A 93 -18.536 -10.729 -19.415 1.00 53.42 C ATOM 1429 C GLY A 93 -18.959 -11.181 -18.032 1.00 30.14 C ATOM 1430 O GLY A 93 -20.135 -11.097 -17.676 1.00 5.54 O ATOM 0 H GLY A 93 -16.444 -10.721 -19.524 1.00 32.45 H new ATOM 0 HA2 GLY A 93 -18.487 -9.640 -19.439 1.00 53.42 H new ATOM 0 HA3 GLY A 93 -19.293 -11.030 -20.139 1.00 53.42 H new ATOM 1434 N ASP A 94 -18.000 -11.664 -17.250 1.00 64.42 N ATOM 1435 CA ASP A 94 -18.278 -12.133 -15.898 1.00 35.03 C ATOM 1436 C ASP A 94 -18.506 -10.958 -14.952 1.00 32.13 C ATOM 1437 O ASP A 94 -19.300 -11.046 -14.016 1.00 74.23 O ATOM 1438 CB ASP A 94 -17.126 -12.999 -15.387 1.00 43.12 C ATOM 1439 CG ASP A 94 -16.720 -14.069 -16.382 1.00 54.41 C ATOM 1440 OD1 ASP A 94 -17.500 -14.330 -17.322 1.00 43.10 O ATOM 1441 OD2 ASP A 94 -15.624 -14.645 -16.220 1.00 72.14 O ATOM 0 H ASP A 94 -17.022 -11.741 -17.530 1.00 64.42 H new ATOM 0 HA ASP A 94 -19.187 -12.734 -15.929 1.00 35.03 H new ATOM 0 HB2 ASP A 94 -16.267 -12.364 -15.170 1.00 43.12 H new ATOM 0 HB3 ASP A 94 -17.419 -13.471 -14.449 1.00 43.12 H new ATOM 1446 N GLY A 95 -17.802 -9.858 -15.202 1.00 33.12 N ATOM 1447 CA GLY A 95 -17.941 -8.682 -14.363 1.00 50.02 C ATOM 1448 C GLY A 95 -17.030 -8.723 -13.152 1.00 51.43 C ATOM 1449 O GLY A 95 -17.177 -7.922 -12.228 1.00 63.41 O ATOM 0 H GLY A 95 -17.138 -9.760 -15.970 1.00 33.12 H new ATOM 0 HA2 GLY A 95 -17.719 -7.792 -14.951 1.00 50.02 H new ATOM 0 HA3 GLY A 95 -18.976 -8.596 -14.032 1.00 50.02 H new ATOM 1453 N LYS A 96 -16.087 -9.658 -13.155 1.00 21.43 N ATOM 1454 CA LYS A 96 -15.148 -9.802 -12.048 1.00 40.24 C ATOM 1455 C LYS A 96 -13.809 -10.344 -12.538 1.00 42.41 C ATOM 1456 O LYS A 96 -13.739 -11.437 -13.100 1.00 33.34 O ATOM 1457 CB LYS A 96 -15.726 -10.732 -10.979 1.00 51.41 C ATOM 1458 CG LYS A 96 -16.097 -12.107 -11.505 1.00 63.42 C ATOM 1459 CD LYS A 96 -17.590 -12.363 -11.395 1.00 55.31 C ATOM 1460 CE LYS A 96 -17.907 -13.345 -10.278 1.00 72.42 C ATOM 1461 NZ LYS A 96 -18.992 -12.844 -9.390 1.00 20.34 N ATOM 0 H LYS A 96 -15.952 -10.328 -13.912 1.00 21.43 H new ATOM 0 HA LYS A 96 -14.984 -8.816 -11.613 1.00 40.24 H new ATOM 0 HB2 LYS A 96 -14.999 -10.844 -10.175 1.00 51.41 H new ATOM 0 HB3 LYS A 96 -16.611 -10.267 -10.545 1.00 51.41 H new ATOM 0 HG2 LYS A 96 -15.788 -12.194 -12.547 1.00 63.42 H new ATOM 0 HG3 LYS A 96 -15.554 -12.870 -10.946 1.00 63.42 H new ATOM 0 HD2 LYS A 96 -18.109 -11.422 -11.212 1.00 55.31 H new ATOM 0 HD3 LYS A 96 -17.964 -12.754 -12.341 1.00 55.31 H new ATOM 0 HE2 LYS A 96 -18.203 -14.302 -10.709 1.00 72.42 H new ATOM 0 HE3 LYS A 96 -17.009 -13.526 -9.687 1.00 72.42 H new ATOM 0 HZ1 LYS A 96 -19.178 -13.542 -8.642 1.00 20.34 H new ATOM 0 HZ2 LYS A 96 -18.700 -11.944 -8.959 1.00 20.34 H new ATOM 0 HZ3 LYS A 96 -19.857 -12.696 -9.948 1.00 20.34 H new ATOM 1475 N ILE A 97 -12.749 -9.573 -12.321 1.00 3.25 N ATOM 1476 CA ILE A 97 -11.412 -9.978 -12.738 1.00 0.43 C ATOM 1477 C ILE A 97 -10.902 -11.141 -11.894 1.00 62.25 C ATOM 1478 O ILE A 97 -11.183 -11.226 -10.700 1.00 31.11 O ATOM 1479 CB ILE A 97 -10.413 -8.809 -12.638 1.00 72.40 C ATOM 1480 CG1 ILE A 97 -10.821 -7.679 -13.585 1.00 13.23 C ATOM 1481 CG2 ILE A 97 -9.004 -9.289 -12.953 1.00 52.12 C ATOM 1482 CD1 ILE A 97 -10.469 -7.945 -15.031 1.00 62.14 C ATOM 0 H ILE A 97 -12.790 -8.665 -11.859 1.00 3.25 H new ATOM 0 HA ILE A 97 -11.488 -10.293 -13.779 1.00 0.43 H new ATOM 0 HB ILE A 97 -10.426 -8.425 -11.618 1.00 72.40 H new ATOM 0 HG12 ILE A 97 -11.896 -7.519 -13.505 1.00 13.23 H new ATOM 0 HG13 ILE A 97 -10.337 -6.756 -13.266 1.00 13.23 H new ATOM 0 HG21 ILE A 97 -8.309 -8.452 -12.878 1.00 52.12 H new ATOM 0 HG22 ILE A 97 -8.716 -10.064 -12.243 1.00 52.12 H new ATOM 0 HG23 ILE A 97 -8.976 -9.695 -13.964 1.00 52.12 H new ATOM 0 HD11 ILE A 97 -10.788 -7.102 -15.644 1.00 62.14 H new ATOM 0 HD12 ILE A 97 -9.391 -8.075 -15.125 1.00 62.14 H new ATOM 0 HD13 ILE A 97 -10.974 -8.850 -15.368 1.00 62.14 H new ATOM 1494 N GLY A 98 -10.147 -12.036 -12.525 1.00 74.23 N ATOM 1495 CA GLY A 98 -9.608 -13.183 -11.817 1.00 41.55 C ATOM 1496 C GLY A 98 -8.109 -13.321 -11.996 1.00 31.31 C ATOM 1497 O GLY A 98 -7.481 -12.514 -12.680 1.00 54.23 O ATOM 0 H GLY A 98 -9.899 -11.987 -13.513 1.00 74.23 H new ATOM 0 HA2 GLY A 98 -9.837 -13.092 -10.755 1.00 41.55 H new ATOM 0 HA3 GLY A 98 -10.098 -14.089 -12.172 1.00 41.55 H new ATOM 1501 N ALA A 99 -7.534 -14.347 -11.377 1.00 64.13 N ATOM 1502 CA ALA A 99 -6.099 -14.589 -11.471 1.00 52.15 C ATOM 1503 C ALA A 99 -5.761 -15.409 -12.712 1.00 0.12 C ATOM 1504 O ALA A 99 -4.625 -15.848 -12.885 1.00 43.13 O ATOM 1505 CB ALA A 99 -5.599 -15.293 -10.219 1.00 13.34 C ATOM 0 H ALA A 99 -8.039 -15.024 -10.805 1.00 64.13 H new ATOM 0 HA ALA A 99 -5.598 -13.625 -11.557 1.00 52.15 H new ATOM 0 HB1 ALA A 99 -4.526 -15.467 -10.303 1.00 13.34 H new ATOM 0 HB2 ALA A 99 -5.798 -14.670 -9.347 1.00 13.34 H new ATOM 0 HB3 ALA A 99 -6.114 -16.247 -10.108 1.00 13.34 H new ATOM 1511 N GLU A 100 -6.755 -15.612 -13.571 1.00 11.22 N ATOM 1512 CA GLU A 100 -6.562 -16.381 -14.794 1.00 65.03 C ATOM 1513 C GLU A 100 -6.845 -15.525 -16.026 1.00 32.44 C ATOM 1514 O GLU A 100 -6.531 -15.915 -17.150 1.00 2.53 O ATOM 1515 CB GLU A 100 -7.468 -17.614 -14.797 1.00 3.02 C ATOM 1516 CG GLU A 100 -6.849 -18.825 -14.120 1.00 20.42 C ATOM 1517 CD GLU A 100 -5.834 -19.530 -14.999 1.00 73.30 C ATOM 1518 OE1 GLU A 100 -6.235 -20.074 -16.049 1.00 63.13 O ATOM 1519 OE2 GLU A 100 -4.639 -19.537 -14.636 1.00 73.42 O ATOM 0 H GLU A 100 -7.702 -15.255 -13.442 1.00 11.22 H new ATOM 0 HA GLU A 100 -5.522 -16.704 -14.828 1.00 65.03 H new ATOM 0 HB2 GLU A 100 -8.405 -17.368 -14.297 1.00 3.02 H new ATOM 0 HB3 GLU A 100 -7.715 -17.871 -15.827 1.00 3.02 H new ATOM 0 HG2 GLU A 100 -6.367 -18.512 -13.194 1.00 20.42 H new ATOM 0 HG3 GLU A 100 -7.637 -19.527 -13.847 1.00 20.42 H new ATOM 1526 N GLU A 101 -7.442 -14.358 -15.803 1.00 71.54 N ATOM 1527 CA GLU A 101 -7.769 -13.449 -16.895 1.00 15.42 C ATOM 1528 C GLU A 101 -7.158 -12.071 -16.657 1.00 2.03 C ATOM 1529 O GLU A 101 -7.461 -11.113 -17.369 1.00 31.35 O ATOM 1530 CB GLU A 101 -9.287 -13.325 -17.048 1.00 21.42 C ATOM 1531 CG GLU A 101 -9.987 -12.829 -15.794 1.00 2.31 C ATOM 1532 CD GLU A 101 -11.371 -13.424 -15.624 1.00 12.20 C ATOM 1533 OE1 GLU A 101 -12.081 -13.574 -16.641 1.00 3.31 O ATOM 1534 OE2 GLU A 101 -11.745 -13.739 -14.475 1.00 71.22 O ATOM 0 H GLU A 101 -7.708 -14.021 -14.878 1.00 71.54 H new ATOM 0 HA GLU A 101 -7.350 -13.860 -17.813 1.00 15.42 H new ATOM 0 HB2 GLU A 101 -9.506 -12.643 -17.870 1.00 21.42 H new ATOM 0 HB3 GLU A 101 -9.697 -14.297 -17.322 1.00 21.42 H new ATOM 0 HG2 GLU A 101 -9.380 -13.075 -14.922 1.00 2.31 H new ATOM 0 HG3 GLU A 101 -10.065 -11.742 -15.832 1.00 2.31 H new ATOM 1541 N PHE A 102 -6.295 -11.979 -15.650 1.00 71.10 N ATOM 1542 CA PHE A 102 -5.641 -10.719 -15.316 1.00 74.10 C ATOM 1543 C PHE A 102 -4.276 -10.619 -15.990 1.00 71.41 C ATOM 1544 O PHE A 102 -4.032 -9.715 -16.789 1.00 30.53 O ATOM 1545 CB PHE A 102 -5.485 -10.588 -13.800 1.00 1.44 C ATOM 1546 CG PHE A 102 -4.775 -9.333 -13.377 1.00 32.22 C ATOM 1547 CD1 PHE A 102 -3.391 -9.276 -13.363 1.00 0.31 C ATOM 1548 CD2 PHE A 102 -5.493 -8.212 -12.993 1.00 4.33 C ATOM 1549 CE1 PHE A 102 -2.735 -8.123 -12.975 1.00 2.34 C ATOM 1550 CE2 PHE A 102 -4.842 -7.056 -12.604 1.00 41.00 C ATOM 1551 CZ PHE A 102 -3.461 -7.012 -12.594 1.00 14.23 C ATOM 0 H PHE A 102 -6.032 -12.762 -15.051 1.00 71.10 H new ATOM 0 HA PHE A 102 -6.267 -9.905 -15.682 1.00 74.10 H new ATOM 0 HB2 PHE A 102 -6.472 -10.611 -13.338 1.00 1.44 H new ATOM 0 HB3 PHE A 102 -4.936 -11.451 -13.423 1.00 1.44 H new ATOM 0 HD1 PHE A 102 -2.818 -10.142 -13.659 1.00 0.31 H new ATOM 0 HD2 PHE A 102 -6.573 -8.242 -12.998 1.00 4.33 H new ATOM 0 HE1 PHE A 102 -1.655 -8.091 -12.970 1.00 2.34 H new ATOM 0 HE2 PHE A 102 -5.412 -6.188 -12.308 1.00 41.00 H new ATOM 0 HZ PHE A 102 -2.951 -6.111 -12.289 1.00 14.23 H new ATOM 1561 N GLN A 103 -3.391 -11.555 -15.661 1.00 43.52 N ATOM 1562 CA GLN A 103 -2.050 -11.571 -16.234 1.00 23.24 C ATOM 1563 C GLN A 103 -2.108 -11.579 -17.758 1.00 34.45 C ATOM 1564 O GLN A 103 -1.286 -10.950 -18.423 1.00 33.25 O ATOM 1565 CB GLN A 103 -1.275 -12.792 -15.735 1.00 4.13 C ATOM 1566 CG GLN A 103 -1.984 -14.111 -15.994 1.00 52.02 C ATOM 1567 CD GLN A 103 -1.944 -15.040 -14.797 1.00 73.53 C ATOM 1568 OE1 GLN A 103 -1.575 -16.209 -14.916 1.00 74.23 O ATOM 1569 NE2 GLN A 103 -2.325 -14.525 -13.634 1.00 63.01 N ATOM 0 H GLN A 103 -3.578 -12.311 -15.002 1.00 43.52 H new ATOM 0 HA GLN A 103 -1.535 -10.665 -15.914 1.00 23.24 H new ATOM 0 HB2 GLN A 103 -0.298 -12.814 -16.218 1.00 4.13 H new ATOM 0 HB3 GLN A 103 -1.100 -12.688 -14.664 1.00 4.13 H new ATOM 0 HG2 GLN A 103 -3.022 -13.915 -16.262 1.00 52.02 H new ATOM 0 HG3 GLN A 103 -1.522 -14.606 -16.849 1.00 52.02 H new ATOM 0 HE21 GLN A 103 -2.623 -13.551 -13.581 1.00 63.01 H new ATOM 0 HE22 GLN A 103 -2.319 -15.103 -12.794 1.00 63.01 H new ATOM 1578 N GLU A 104 -3.086 -12.297 -18.303 1.00 44.45 N ATOM 1579 CA GLU A 104 -3.250 -12.387 -19.750 1.00 3.14 C ATOM 1580 C GLU A 104 -3.391 -10.999 -20.369 1.00 33.42 C ATOM 1581 O GLU A 104 -2.978 -10.770 -21.505 1.00 22.21 O ATOM 1582 CB GLU A 104 -4.473 -13.238 -20.094 1.00 73.51 C ATOM 1583 CG GLU A 104 -5.796 -12.557 -19.784 1.00 23.50 C ATOM 1584 CD GLU A 104 -6.990 -13.344 -20.290 1.00 4.31 C ATOM 1585 OE1 GLU A 104 -6.811 -14.526 -20.650 1.00 61.20 O ATOM 1586 OE2 GLU A 104 -8.102 -12.777 -20.326 1.00 63.12 O ATOM 0 H GLU A 104 -3.775 -12.823 -17.766 1.00 44.45 H new ATOM 0 HA GLU A 104 -2.359 -12.861 -20.163 1.00 3.14 H new ATOM 0 HB2 GLU A 104 -4.443 -13.490 -21.154 1.00 73.51 H new ATOM 0 HB3 GLU A 104 -4.419 -14.176 -19.542 1.00 73.51 H new ATOM 0 HG2 GLU A 104 -5.886 -12.420 -18.706 1.00 23.50 H new ATOM 0 HG3 GLU A 104 -5.803 -11.564 -20.233 1.00 23.50 H new ATOM 1593 N MET A 105 -3.979 -10.078 -19.613 1.00 14.20 N ATOM 1594 CA MET A 105 -4.175 -8.713 -20.087 1.00 14.31 C ATOM 1595 C MET A 105 -2.905 -7.887 -19.908 1.00 31.43 C ATOM 1596 O MET A 105 -2.767 -6.809 -20.485 1.00 10.20 O ATOM 1597 CB MET A 105 -5.336 -8.053 -19.340 1.00 50.52 C ATOM 1598 CG MET A 105 -4.911 -7.333 -18.070 1.00 60.23 C ATOM 1599 SD MET A 105 -4.850 -5.543 -18.274 1.00 1.34 S ATOM 1600 CE MET A 105 -6.571 -5.182 -18.616 1.00 45.11 C ATOM 0 H MET A 105 -4.328 -10.252 -18.670 1.00 14.20 H new ATOM 0 HA MET A 105 -4.413 -8.755 -21.150 1.00 14.31 H new ATOM 0 HB2 MET A 105 -5.827 -7.342 -20.004 1.00 50.52 H new ATOM 0 HB3 MET A 105 -6.074 -8.814 -19.087 1.00 50.52 H new ATOM 0 HG2 MET A 105 -5.606 -7.580 -17.267 1.00 60.23 H new ATOM 0 HG3 MET A 105 -3.929 -7.694 -17.764 1.00 60.23 H new ATOM 0 HE1 MET A 105 -6.635 -4.383 -19.355 1.00 45.11 H new ATOM 0 HE2 MET A 105 -7.060 -6.076 -19.004 1.00 45.11 H new ATOM 0 HE3 MET A 105 -7.066 -4.867 -17.697 1.00 45.11 H new ATOM 1610 N VAL A 106 -1.979 -8.401 -19.104 1.00 14.13 N ATOM 1611 CA VAL A 106 -0.720 -7.712 -18.849 1.00 51.42 C ATOM 1612 C VAL A 106 0.302 -8.014 -19.939 1.00 60.21 C ATOM 1613 O VAL A 106 0.533 -7.198 -20.830 1.00 40.52 O ATOM 1614 CB VAL A 106 -0.130 -8.107 -17.483 1.00 22.42 C ATOM 1615 CG1 VAL A 106 1.033 -7.197 -17.119 1.00 51.42 C ATOM 1616 CG2 VAL A 106 -1.205 -8.069 -16.407 1.00 43.31 C ATOM 0 H VAL A 106 -2.078 -9.292 -18.618 1.00 14.13 H new ATOM 0 HA VAL A 106 -0.939 -6.644 -18.846 1.00 51.42 H new ATOM 0 HB VAL A 106 0.247 -9.127 -17.552 1.00 22.42 H new ATOM 0 HG11 VAL A 106 1.437 -7.492 -16.150 1.00 51.42 H new ATOM 0 HG12 VAL A 106 1.812 -7.281 -17.877 1.00 51.42 H new ATOM 0 HG13 VAL A 106 0.686 -6.165 -17.068 1.00 51.42 H new ATOM 0 HG21 VAL A 106 -0.770 -8.351 -15.448 1.00 43.31 H new ATOM 0 HG22 VAL A 106 -1.615 -7.061 -16.337 1.00 43.31 H new ATOM 0 HG23 VAL A 106 -2.001 -8.767 -16.664 1.00 43.31 H new ATOM 1626 N GLN A 107 0.910 -9.193 -19.861 1.00 65.31 N ATOM 1627 CA GLN A 107 1.909 -9.604 -20.842 1.00 13.54 C ATOM 1628 C GLN A 107 1.290 -9.723 -22.231 1.00 4.43 C ATOM 1629 O GLN A 107 1.934 -9.419 -23.235 1.00 72.23 O ATOM 1630 CB GLN A 107 2.537 -10.937 -20.434 1.00 33.42 C ATOM 1631 CG GLN A 107 3.240 -10.892 -19.087 1.00 33.33 C ATOM 1632 CD GLN A 107 2.855 -12.052 -18.189 1.00 2.43 C ATOM 1633 OE1 GLN A 107 3.709 -12.828 -17.758 1.00 54.21 O ATOM 1634 NE2 GLN A 107 1.565 -12.175 -17.901 1.00 32.21 N ATOM 0 H GLN A 107 0.729 -9.880 -19.130 1.00 65.31 H new ATOM 0 HA GLN A 107 2.686 -8.840 -20.875 1.00 13.54 H new ATOM 0 HB2 GLN A 107 1.760 -11.701 -20.403 1.00 33.42 H new ATOM 0 HB3 GLN A 107 3.253 -11.241 -21.198 1.00 33.42 H new ATOM 0 HG2 GLN A 107 4.319 -10.901 -19.244 1.00 33.33 H new ATOM 0 HG3 GLN A 107 2.999 -9.954 -18.587 1.00 33.33 H new ATOM 0 HE21 GLN A 107 0.892 -11.509 -18.280 1.00 32.21 H new ATOM 0 HE22 GLN A 107 1.247 -12.936 -17.300 1.00 32.21 H new ATOM 1643 N SER A 108 0.039 -10.167 -22.280 1.00 15.32 N ATOM 1644 CA SER A 108 -0.665 -10.330 -23.546 1.00 55.03 C ATOM 1645 C SER A 108 -1.853 -9.377 -23.634 1.00 55.23 C ATOM 1646 O SER A 108 -2.118 -8.613 -22.708 1.00 15.52 O ATOM 1647 CB SER A 108 -1.143 -11.775 -23.706 1.00 13.41 C ATOM 1648 OG SER A 108 -2.059 -11.893 -24.781 1.00 63.10 O ATOM 0 H SER A 108 -0.508 -10.420 -21.457 1.00 15.32 H new ATOM 0 HA SER A 108 0.029 -10.093 -24.352 1.00 55.03 H new ATOM 0 HB2 SER A 108 -0.287 -12.427 -23.880 1.00 13.41 H new ATOM 0 HB3 SER A 108 -1.616 -12.109 -22.783 1.00 13.41 H new ATOM 0 HG SER A 108 -2.348 -12.826 -24.864 1.00 63.10 H new