USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 608 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 18 THR OG1 : rot 180:sc= -0.431 USER MOD Set 1.2: A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 171:sc= 1.15 (180deg=1.02) USER MOD Single : A 29 SER OG : rot 83:sc= 1.23 USER MOD Single : A 33 LYS NZ :NH3+ 164:sc= 1.31 (180deg=1.21) USER MOD Single : A 34 TYR OH : rot 33:sc= 0.0536 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 120:sc= 1.24 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -3.68! C(o=-3.7!,f=-10!) USER MOD Single : A 50 SER OG : rot -170:sc= 0.995 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0174 USER MOD Single : A 56 SER OG : rot 47:sc= 0.757 USER MOD Single : A 57 LYS NZ :NH3+ -151:sc= 0.99 (180deg=0.457) USER MOD Single : A 64 LYS NZ :NH3+ 127:sc= 2.42 (180deg=-0.517) USER MOD Single : A 68 SER OG : rot -112:sc= 1.36 USER MOD Single : A 71 LYS NZ :NH3+ 177:sc= 2.33 (180deg=2.18) USER MOD Single : A 77 LYS NZ :NH3+ 175:sc= -0.0017 (180deg=-0.0171) USER MOD Single : A 78 THR OG1 : rot 11:sc= -0.655 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 61 N PHE A 6 13.979 -3.155 -9.211 1.00 3.40 N ATOM 62 CA PHE A 6 14.276 -2.762 -7.848 1.00 0.12 C ATOM 63 C PHE A 6 14.988 -3.896 -7.133 1.00 73.31 C ATOM 64 O PHE A 6 15.357 -4.888 -7.758 1.00 31.24 O ATOM 65 CB PHE A 6 12.989 -2.394 -7.106 1.00 32.23 C ATOM 66 CG PHE A 6 12.296 -1.174 -7.651 1.00 25.04 C ATOM 67 CD1 PHE A 6 12.691 0.098 -7.263 1.00 41.01 C ATOM 68 CD2 PHE A 6 11.242 -1.299 -8.544 1.00 32.23 C ATOM 69 CE1 PHE A 6 12.048 1.219 -7.755 1.00 52.22 C ATOM 70 CE2 PHE A 6 10.596 -0.180 -9.036 1.00 14.31 C ATOM 71 CZ PHE A 6 10.998 1.080 -8.643 1.00 20.04 C ATOM 0 HA PHE A 6 14.925 -1.887 -7.865 1.00 0.12 H new ATOM 0 HB2 PHE A 6 12.302 -3.239 -7.150 1.00 32.23 H new ATOM 0 HB3 PHE A 6 13.223 -2.227 -6.055 1.00 32.23 H new ATOM 0 HD1 PHE A 6 13.510 0.214 -6.569 1.00 41.01 H new ATOM 0 HD2 PHE A 6 10.922 -2.281 -8.859 1.00 32.23 H new ATOM 0 HE1 PHE A 6 12.366 2.203 -7.445 1.00 52.22 H new ATOM 0 HE2 PHE A 6 9.775 -0.292 -9.729 1.00 14.31 H new ATOM 0 HZ PHE A 6 10.494 1.954 -9.028 1.00 20.04 H new ATOM 81 N ILE A 7 15.184 -3.741 -5.832 1.00 2.30 N ATOM 82 CA ILE A 7 15.829 -4.768 -5.019 1.00 71.34 C ATOM 83 C ILE A 7 15.077 -6.096 -5.126 1.00 12.10 C ATOM 84 O ILE A 7 15.650 -7.119 -5.497 1.00 54.21 O ATOM 85 CB ILE A 7 15.909 -4.335 -3.538 1.00 45.34 C ATOM 86 CG1 ILE A 7 16.597 -2.972 -3.417 1.00 4.03 C ATOM 87 CG2 ILE A 7 16.644 -5.382 -2.712 1.00 20.42 C ATOM 88 CD1 ILE A 7 16.624 -2.423 -2.005 1.00 72.14 C ATOM 0 H ILE A 7 14.905 -2.909 -5.312 1.00 2.30 H new ATOM 0 HA ILE A 7 16.842 -4.901 -5.400 1.00 71.34 H new ATOM 0 HB ILE A 7 14.895 -4.245 -3.149 1.00 45.34 H new ATOM 0 HG12 ILE A 7 17.620 -3.058 -3.783 1.00 4.03 H new ATOM 0 HG13 ILE A 7 16.086 -2.259 -4.064 1.00 4.03 H new ATOM 0 HG21 ILE A 7 16.690 -5.059 -1.672 1.00 20.42 H new ATOM 0 HG22 ILE A 7 16.113 -6.332 -2.773 1.00 20.42 H new ATOM 0 HG23 ILE A 7 17.656 -5.506 -3.098 1.00 20.42 H new ATOM 0 HD11 ILE A 7 17.127 -1.456 -2.000 1.00 72.14 H new ATOM 0 HD12 ILE A 7 15.603 -2.303 -1.642 1.00 72.14 H new ATOM 0 HD13 ILE A 7 17.161 -3.115 -1.356 1.00 72.14 H new ATOM 100 N ILE A 8 13.793 -6.073 -4.797 1.00 73.11 N ATOM 101 CA ILE A 8 12.942 -7.245 -4.954 1.00 4.44 C ATOM 102 C ILE A 8 12.229 -7.194 -6.302 1.00 61.41 C ATOM 103 O ILE A 8 11.758 -6.136 -6.722 1.00 14.41 O ATOM 104 CB ILE A 8 11.904 -7.347 -3.810 1.00 55.45 C ATOM 105 CG1 ILE A 8 12.619 -7.497 -2.466 1.00 2.24 C ATOM 106 CG2 ILE A 8 10.957 -8.519 -4.036 1.00 62.23 C ATOM 107 CD1 ILE A 8 11.687 -7.502 -1.272 1.00 54.31 C ATOM 0 H ILE A 8 13.317 -5.254 -4.419 1.00 73.11 H new ATOM 0 HA ILE A 8 13.577 -8.130 -4.912 1.00 4.44 H new ATOM 0 HB ILE A 8 11.314 -6.431 -3.800 1.00 55.45 H new ATOM 0 HG12 ILE A 8 13.191 -8.425 -2.472 1.00 2.24 H new ATOM 0 HG13 ILE A 8 13.334 -6.682 -2.353 1.00 2.24 H new ATOM 0 HG21 ILE A 8 10.238 -8.569 -3.218 1.00 62.23 H new ATOM 0 HG22 ILE A 8 10.426 -8.382 -4.978 1.00 62.23 H new ATOM 0 HG23 ILE A 8 11.528 -9.446 -4.073 1.00 62.23 H new ATOM 0 HD11 ILE A 8 12.269 -7.612 -0.357 1.00 54.31 H new ATOM 0 HD12 ILE A 8 11.133 -6.564 -1.239 1.00 54.31 H new ATOM 0 HD13 ILE A 8 10.988 -8.334 -1.360 1.00 54.31 H new ATOM 119 N LYS A 9 12.178 -8.334 -6.981 1.00 73.44 N ATOM 120 CA LYS A 9 11.539 -8.427 -8.285 1.00 31.03 C ATOM 121 C LYS A 9 10.046 -8.722 -8.141 1.00 75.43 C ATOM 122 O LYS A 9 9.520 -8.788 -7.030 1.00 41.34 O ATOM 123 CB LYS A 9 12.199 -9.530 -9.112 1.00 34.23 C ATOM 124 CG LYS A 9 12.045 -10.919 -8.512 1.00 13.41 C ATOM 125 CD LYS A 9 12.491 -12.000 -9.480 1.00 52.34 C ATOM 126 CE LYS A 9 12.214 -13.388 -8.930 1.00 12.45 C ATOM 127 NZ LYS A 9 12.539 -14.455 -9.913 1.00 55.11 N ATOM 0 H LYS A 9 12.575 -9.212 -6.646 1.00 73.44 H new ATOM 0 HA LYS A 9 11.658 -7.469 -8.791 1.00 31.03 H new ATOM 0 HB2 LYS A 9 11.770 -9.527 -10.114 1.00 34.23 H new ATOM 0 HB3 LYS A 9 13.260 -9.306 -9.219 1.00 34.23 H new ATOM 0 HG2 LYS A 9 12.631 -10.987 -7.595 1.00 13.41 H new ATOM 0 HG3 LYS A 9 11.003 -11.084 -8.237 1.00 13.41 H new ATOM 0 HD2 LYS A 9 11.973 -11.874 -10.431 1.00 52.34 H new ATOM 0 HD3 LYS A 9 13.557 -11.893 -9.681 1.00 52.34 H new ATOM 0 HE2 LYS A 9 12.799 -13.541 -8.023 1.00 12.45 H new ATOM 0 HE3 LYS A 9 11.164 -13.463 -8.649 1.00 12.45 H new ATOM 0 HZ1 LYS A 9 12.335 -15.385 -9.496 1.00 55.11 H new ATOM 0 HZ2 LYS A 9 11.963 -14.325 -10.769 1.00 55.11 H new ATOM 0 HZ3 LYS A 9 13.547 -14.401 -10.163 1.00 55.11 H new ATOM 141 N GLU A 10 9.377 -8.915 -9.272 1.00 43.44 N ATOM 142 CA GLU A 10 7.963 -9.235 -9.284 1.00 3.12 C ATOM 143 C GLU A 10 7.706 -10.707 -8.987 1.00 54.12 C ATOM 144 O GLU A 10 8.626 -11.529 -8.946 1.00 72.15 O ATOM 145 CB GLU A 10 7.376 -8.880 -10.642 1.00 65.20 C ATOM 146 CG GLU A 10 6.609 -7.574 -10.647 1.00 73.12 C ATOM 147 CD GLU A 10 5.247 -7.713 -9.997 1.00 25.30 C ATOM 148 OE1 GLU A 10 4.542 -8.702 -10.290 1.00 21.12 O ATOM 149 OE2 GLU A 10 4.866 -6.843 -9.189 1.00 12.22 O ATOM 0 H GLU A 10 9.800 -8.854 -10.198 1.00 43.44 H new ATOM 0 HA GLU A 10 7.483 -8.651 -8.498 1.00 3.12 H new ATOM 0 HB2 GLU A 10 8.182 -8.821 -11.373 1.00 65.20 H new ATOM 0 HB3 GLU A 10 6.712 -9.683 -10.963 1.00 65.20 H new ATOM 0 HG2 GLU A 10 7.186 -6.813 -10.121 1.00 73.12 H new ATOM 0 HG3 GLU A 10 6.487 -7.229 -11.674 1.00 73.12 H new ATOM 156 N GLY A 11 6.438 -11.027 -8.808 1.00 15.24 N ATOM 157 CA GLY A 11 6.025 -12.375 -8.506 1.00 31.31 C ATOM 158 C GLY A 11 4.660 -12.371 -7.863 1.00 63.42 C ATOM 159 O GLY A 11 4.175 -11.314 -7.467 1.00 54.44 O ATOM 0 H GLY A 11 5.671 -10.358 -8.869 1.00 15.24 H new ATOM 0 HA2 GLY A 11 6.003 -12.969 -9.419 1.00 31.31 H new ATOM 0 HA3 GLY A 11 6.748 -12.844 -7.838 1.00 31.31 H new ATOM 163 N ASP A 12 4.029 -13.527 -7.745 1.00 33.10 N ATOM 164 CA ASP A 12 2.697 -13.587 -7.150 1.00 41.14 C ATOM 165 C ASP A 12 2.786 -13.427 -5.637 1.00 13.33 C ATOM 166 O ASP A 12 1.814 -13.077 -4.974 1.00 63.45 O ATOM 167 CB ASP A 12 1.988 -14.894 -7.501 1.00 74.23 C ATOM 168 CG ASP A 12 0.538 -14.880 -7.068 1.00 44.00 C ATOM 169 OD1 ASP A 12 -0.186 -13.928 -7.441 1.00 33.20 O ATOM 170 OD2 ASP A 12 0.114 -15.805 -6.352 1.00 42.21 O ATOM 0 H ASP A 12 4.406 -14.425 -8.047 1.00 33.10 H new ATOM 0 HA ASP A 12 2.110 -12.766 -7.562 1.00 41.14 H new ATOM 0 HB2 ASP A 12 2.045 -15.061 -8.577 1.00 74.23 H new ATOM 0 HB3 ASP A 12 2.503 -15.727 -7.022 1.00 74.23 H new ATOM 175 N GLU A 13 3.970 -13.661 -5.103 1.00 73.01 N ATOM 176 CA GLU A 13 4.206 -13.553 -3.671 1.00 55.54 C ATOM 177 C GLU A 13 4.574 -12.120 -3.308 1.00 23.23 C ATOM 178 O GLU A 13 4.686 -11.772 -2.133 1.00 12.33 O ATOM 179 CB GLU A 13 5.329 -14.504 -3.235 1.00 4.42 C ATOM 180 CG GLU A 13 5.078 -15.978 -3.552 1.00 74.41 C ATOM 181 CD GLU A 13 5.045 -16.274 -5.042 1.00 72.34 C ATOM 182 OE1 GLU A 13 5.992 -15.875 -5.753 1.00 52.13 O ATOM 183 OE2 GLU A 13 4.061 -16.885 -5.513 1.00 25.42 O ATOM 0 H GLU A 13 4.792 -13.930 -5.644 1.00 73.01 H new ATOM 0 HA GLU A 13 3.290 -13.832 -3.150 1.00 55.54 H new ATOM 0 HB2 GLU A 13 6.256 -14.195 -3.718 1.00 4.42 H new ATOM 0 HB3 GLU A 13 5.479 -14.398 -2.161 1.00 4.42 H new ATOM 0 HG2 GLU A 13 5.857 -16.581 -3.086 1.00 74.41 H new ATOM 0 HG3 GLU A 13 4.131 -16.282 -3.107 1.00 74.41 H new ATOM 190 N VAL A 14 4.755 -11.293 -4.327 1.00 73.05 N ATOM 191 CA VAL A 14 5.176 -9.915 -4.134 1.00 65.42 C ATOM 192 C VAL A 14 4.127 -8.951 -4.676 1.00 20.22 C ATOM 193 O VAL A 14 3.780 -8.992 -5.857 1.00 73.32 O ATOM 194 CB VAL A 14 6.523 -9.634 -4.839 1.00 51.20 C ATOM 195 CG1 VAL A 14 7.014 -8.228 -4.529 1.00 22.33 C ATOM 196 CG2 VAL A 14 7.571 -10.667 -4.451 1.00 74.34 C ATOM 0 H VAL A 14 4.615 -11.556 -5.303 1.00 73.05 H new ATOM 0 HA VAL A 14 5.297 -9.763 -3.061 1.00 65.42 H new ATOM 0 HB VAL A 14 6.358 -9.709 -5.914 1.00 51.20 H new ATOM 0 HG11 VAL A 14 7.963 -8.054 -5.036 1.00 22.33 H new ATOM 0 HG12 VAL A 14 6.279 -7.501 -4.875 1.00 22.33 H new ATOM 0 HG13 VAL A 14 7.152 -8.120 -3.453 1.00 22.33 H new ATOM 0 HG21 VAL A 14 8.508 -10.444 -4.962 1.00 74.34 H new ATOM 0 HG22 VAL A 14 7.729 -10.637 -3.373 1.00 74.34 H new ATOM 0 HG23 VAL A 14 7.227 -11.660 -4.740 1.00 74.34 H new ATOM 206 N ALA A 15 3.614 -8.095 -3.810 1.00 43.45 N ATOM 207 CA ALA A 15 2.658 -7.083 -4.223 1.00 40.52 C ATOM 208 C ALA A 15 3.315 -5.708 -4.217 1.00 64.45 C ATOM 209 O ALA A 15 3.552 -5.129 -3.155 1.00 45.12 O ATOM 210 CB ALA A 15 1.432 -7.102 -3.318 1.00 72.21 C ATOM 0 H ALA A 15 3.843 -8.080 -2.816 1.00 43.45 H new ATOM 0 HA ALA A 15 2.330 -7.305 -5.238 1.00 40.52 H new ATOM 0 HB1 ALA A 15 0.727 -6.337 -3.644 1.00 72.21 H new ATOM 0 HB2 ALA A 15 0.955 -8.081 -3.372 1.00 72.21 H new ATOM 0 HB3 ALA A 15 1.735 -6.902 -2.290 1.00 72.21 H new ATOM 216 N ASP A 16 3.635 -5.201 -5.402 1.00 4.20 N ATOM 217 CA ASP A 16 4.219 -3.872 -5.527 1.00 33.21 C ATOM 218 C ASP A 16 3.119 -2.840 -5.657 1.00 31.13 C ATOM 219 O ASP A 16 2.185 -2.994 -6.450 1.00 40.04 O ATOM 220 CB ASP A 16 5.170 -3.789 -6.719 1.00 14.55 C ATOM 221 CG ASP A 16 5.821 -2.424 -6.881 1.00 14.34 C ATOM 222 OD1 ASP A 16 6.797 -2.132 -6.153 1.00 20.15 O ATOM 223 OD2 ASP A 16 5.378 -1.651 -7.756 1.00 13.25 O ATOM 0 H ASP A 16 3.500 -5.689 -6.287 1.00 4.20 H new ATOM 0 HA ASP A 16 4.800 -3.669 -4.628 1.00 33.21 H new ATOM 0 HB2 ASP A 16 5.949 -4.543 -6.606 1.00 14.55 H new ATOM 0 HB3 ASP A 16 4.621 -4.032 -7.629 1.00 14.55 H new ATOM 228 N VAL A 17 3.231 -1.806 -4.856 1.00 51.15 N ATOM 229 CA VAL A 17 2.193 -0.788 -4.744 1.00 32.53 C ATOM 230 C VAL A 17 2.808 0.602 -4.737 1.00 14.42 C ATOM 231 O VAL A 17 3.837 0.839 -4.110 1.00 45.53 O ATOM 232 CB VAL A 17 1.358 -0.960 -3.450 1.00 32.21 C ATOM 233 CG1 VAL A 17 0.148 -0.036 -3.454 1.00 25.20 C ATOM 234 CG2 VAL A 17 0.926 -2.408 -3.251 1.00 61.44 C ATOM 0 H VAL A 17 4.042 -1.640 -4.260 1.00 51.15 H new ATOM 0 HA VAL A 17 1.539 -0.907 -5.608 1.00 32.53 H new ATOM 0 HB VAL A 17 1.998 -0.685 -2.611 1.00 32.21 H new ATOM 0 HG11 VAL A 17 -0.421 -0.177 -2.535 1.00 25.20 H new ATOM 0 HG12 VAL A 17 0.481 1.000 -3.519 1.00 25.20 H new ATOM 0 HG13 VAL A 17 -0.484 -0.268 -4.311 1.00 25.20 H new ATOM 0 HG21 VAL A 17 0.343 -2.491 -2.334 1.00 61.44 H new ATOM 0 HG22 VAL A 17 0.318 -2.726 -4.098 1.00 61.44 H new ATOM 0 HG23 VAL A 17 1.808 -3.044 -3.179 1.00 61.44 H new ATOM 244 N THR A 18 2.164 1.518 -5.426 1.00 53.41 N ATOM 245 CA THR A 18 2.612 2.893 -5.471 1.00 4.33 C ATOM 246 C THR A 18 1.603 3.792 -4.763 1.00 54.42 C ATOM 247 O THR A 18 0.474 3.952 -5.225 1.00 30.05 O ATOM 248 CB THR A 18 2.794 3.351 -6.928 1.00 43.24 C ATOM 249 OG1 THR A 18 3.664 2.441 -7.616 1.00 53.12 O ATOM 250 CG2 THR A 18 3.372 4.757 -6.999 1.00 43.21 C ATOM 0 H THR A 18 1.320 1.333 -5.968 1.00 53.41 H new ATOM 0 HA THR A 18 3.573 2.964 -4.961 1.00 4.33 H new ATOM 0 HB THR A 18 1.813 3.360 -7.404 1.00 43.24 H new ATOM 0 HG1 THR A 18 3.777 2.735 -8.544 1.00 53.12 H new ATOM 0 HG21 THR A 18 3.488 5.050 -8.042 1.00 43.21 H new ATOM 0 HG22 THR A 18 2.698 5.453 -6.499 1.00 43.21 H new ATOM 0 HG23 THR A 18 4.344 4.776 -6.506 1.00 43.21 H new ATOM 258 N ILE A 19 2.008 4.352 -3.635 1.00 33.24 N ATOM 259 CA ILE A 19 1.136 5.223 -2.861 1.00 43.44 C ATOM 260 C ILE A 19 1.457 6.676 -3.183 1.00 61.03 C ATOM 261 O ILE A 19 2.611 7.014 -3.450 1.00 11.41 O ATOM 262 CB ILE A 19 1.301 4.984 -1.342 1.00 42.22 C ATOM 263 CG1 ILE A 19 1.213 3.488 -1.018 1.00 22.55 C ATOM 264 CG2 ILE A 19 0.247 5.757 -0.559 1.00 22.25 C ATOM 265 CD1 ILE A 19 1.424 3.168 0.450 1.00 4.23 C ATOM 0 H ILE A 19 2.936 4.219 -3.234 1.00 33.24 H new ATOM 0 HA ILE A 19 0.104 4.996 -3.130 1.00 43.44 H new ATOM 0 HB ILE A 19 2.286 5.345 -1.046 1.00 42.22 H new ATOM 0 HG12 ILE A 19 0.236 3.116 -1.325 1.00 22.55 H new ATOM 0 HG13 ILE A 19 1.957 2.953 -1.608 1.00 22.55 H new ATOM 0 HG21 ILE A 19 0.380 5.576 0.507 1.00 22.25 H new ATOM 0 HG22 ILE A 19 0.352 6.823 -0.762 1.00 22.25 H new ATOM 0 HG23 ILE A 19 -0.746 5.426 -0.862 1.00 22.25 H new ATOM 0 HD11 ILE A 19 1.347 2.091 0.602 1.00 4.23 H new ATOM 0 HD12 ILE A 19 2.412 3.509 0.758 1.00 4.23 H new ATOM 0 HD13 ILE A 19 0.664 3.674 1.046 1.00 4.23 H new ATOM 277 N PHE A 20 0.445 7.527 -3.179 1.00 34.12 N ATOM 278 CA PHE A 20 0.629 8.921 -3.523 1.00 53.31 C ATOM 279 C PHE A 20 -0.184 9.828 -2.605 1.00 21.34 C ATOM 280 O PHE A 20 -1.223 9.423 -2.072 1.00 52.50 O ATOM 281 CB PHE A 20 0.247 9.162 -4.988 1.00 40.15 C ATOM 282 CG PHE A 20 -1.146 8.722 -5.350 1.00 24.40 C ATOM 283 CD1 PHE A 20 -1.394 7.417 -5.751 1.00 60.14 C ATOM 284 CD2 PHE A 20 -2.204 9.614 -5.297 1.00 51.22 C ATOM 285 CE1 PHE A 20 -2.671 7.013 -6.089 1.00 31.40 C ATOM 286 CE2 PHE A 20 -3.483 9.214 -5.632 1.00 15.44 C ATOM 287 CZ PHE A 20 -3.716 7.911 -6.029 1.00 0.33 C ATOM 0 H PHE A 20 -0.514 7.273 -2.940 1.00 34.12 H new ATOM 0 HA PHE A 20 1.683 9.166 -3.388 1.00 53.31 H new ATOM 0 HB2 PHE A 20 0.347 10.225 -5.206 1.00 40.15 H new ATOM 0 HB3 PHE A 20 0.958 8.637 -5.627 1.00 40.15 H new ATOM 0 HD1 PHE A 20 -0.580 6.709 -5.799 1.00 60.14 H new ATOM 0 HD2 PHE A 20 -2.027 10.634 -4.990 1.00 51.22 H new ATOM 0 HE1 PHE A 20 -2.851 5.995 -6.400 1.00 31.40 H new ATOM 0 HE2 PHE A 20 -4.300 9.919 -5.584 1.00 15.44 H new ATOM 0 HZ PHE A 20 -4.715 7.596 -6.292 1.00 0.33 H new ATOM 297 N ALA A 21 0.311 11.045 -2.420 1.00 75.55 N ATOM 298 CA ALA A 21 -0.356 12.068 -1.624 1.00 42.01 C ATOM 299 C ALA A 21 0.398 13.378 -1.780 1.00 33.40 C ATOM 300 O ALA A 21 1.473 13.397 -2.369 1.00 4.34 O ATOM 301 CB ALA A 21 -0.441 11.670 -0.157 1.00 2.43 C ATOM 0 H ALA A 21 1.196 11.353 -2.822 1.00 75.55 H new ATOM 0 HA ALA A 21 -1.379 12.183 -1.983 1.00 42.01 H new ATOM 0 HB1 ALA A 21 -0.944 12.457 0.405 1.00 2.43 H new ATOM 0 HB2 ALA A 21 -1.004 10.741 -0.064 1.00 2.43 H new ATOM 0 HB3 ALA A 21 0.564 11.527 0.240 1.00 2.43 H new ATOM 307 N GLU A 22 -0.146 14.463 -1.251 1.00 63.52 N ATOM 308 CA GLU A 22 0.446 15.781 -1.453 1.00 51.12 C ATOM 309 C GLU A 22 1.629 16.041 -0.523 1.00 74.53 C ATOM 310 O GLU A 22 2.506 16.846 -0.838 1.00 74.24 O ATOM 311 CB GLU A 22 -0.614 16.861 -1.266 1.00 20.33 C ATOM 312 CG GLU A 22 -1.718 16.793 -2.305 1.00 45.43 C ATOM 313 CD GLU A 22 -1.191 16.925 -3.719 1.00 22.43 C ATOM 314 OE1 GLU A 22 -0.573 17.964 -4.036 1.00 41.32 O ATOM 315 OE2 GLU A 22 -1.380 15.986 -4.517 1.00 12.44 O ATOM 0 H GLU A 22 -0.992 14.460 -0.681 1.00 63.52 H new ATOM 0 HA GLU A 22 0.829 15.810 -2.473 1.00 51.12 H new ATOM 0 HB2 GLU A 22 -1.051 16.765 -0.272 1.00 20.33 H new ATOM 0 HB3 GLU A 22 -0.139 17.841 -1.312 1.00 20.33 H new ATOM 0 HG2 GLU A 22 -2.249 15.846 -2.205 1.00 45.43 H new ATOM 0 HG3 GLU A 22 -2.441 17.586 -2.115 1.00 45.43 H new ATOM 322 N THR A 23 1.661 15.370 0.618 1.00 35.41 N ATOM 323 CA THR A 23 2.721 15.598 1.588 1.00 4.21 C ATOM 324 C THR A 23 3.415 14.298 1.987 1.00 25.32 C ATOM 325 O THR A 23 2.792 13.235 2.027 1.00 43.25 O ATOM 326 CB THR A 23 2.184 16.303 2.853 1.00 60.22 C ATOM 327 OG1 THR A 23 1.030 15.614 3.358 1.00 4.40 O ATOM 328 CG2 THR A 23 1.829 17.753 2.556 1.00 65.12 C ATOM 0 H THR A 23 0.972 14.670 0.894 1.00 35.41 H new ATOM 0 HA THR A 23 3.451 16.246 1.102 1.00 4.21 H new ATOM 0 HB THR A 23 2.970 16.284 3.608 1.00 60.22 H new ATOM 0 HG1 THR A 23 0.701 16.071 4.160 1.00 4.40 H new ATOM 0 HG21 THR A 23 1.453 18.228 3.462 1.00 65.12 H new ATOM 0 HG22 THR A 23 2.717 18.282 2.211 1.00 65.12 H new ATOM 0 HG23 THR A 23 1.062 17.789 1.783 1.00 65.12 H new ATOM 336 N LYS A 24 4.708 14.404 2.285 1.00 54.02 N ATOM 337 CA LYS A 24 5.513 13.272 2.744 1.00 52.03 C ATOM 338 C LYS A 24 4.887 12.644 3.982 1.00 41.52 C ATOM 339 O LYS A 24 4.830 11.422 4.115 1.00 1.34 O ATOM 340 CB LYS A 24 6.934 13.750 3.057 1.00 62.42 C ATOM 341 CG LYS A 24 7.863 12.669 3.593 1.00 51.21 C ATOM 342 CD LYS A 24 9.275 13.208 3.774 1.00 63.22 C ATOM 343 CE LYS A 24 10.194 12.194 4.439 1.00 35.11 C ATOM 344 NZ LYS A 24 9.870 12.005 5.877 1.00 3.12 N ATOM 0 H LYS A 24 5.229 15.278 2.215 1.00 54.02 H new ATOM 0 HA LYS A 24 5.551 12.519 1.957 1.00 52.03 H new ATOM 0 HB2 LYS A 24 7.370 14.169 2.150 1.00 62.42 H new ATOM 0 HB3 LYS A 24 6.879 14.558 3.787 1.00 62.42 H new ATOM 0 HG2 LYS A 24 7.485 12.299 4.546 1.00 51.21 H new ATOM 0 HG3 LYS A 24 7.878 11.823 2.906 1.00 51.21 H new ATOM 0 HD2 LYS A 24 9.684 13.485 2.802 1.00 63.22 H new ATOM 0 HD3 LYS A 24 9.242 14.116 4.376 1.00 63.22 H new ATOM 0 HE2 LYS A 24 10.114 11.238 3.921 1.00 35.11 H new ATOM 0 HE3 LYS A 24 11.228 12.524 4.341 1.00 35.11 H new ATOM 0 HZ1 LYS A 24 10.414 11.202 6.253 1.00 3.12 H new ATOM 0 HZ2 LYS A 24 10.116 12.867 6.405 1.00 3.12 H new ATOM 0 HZ3 LYS A 24 8.853 11.814 5.982 1.00 3.12 H new ATOM 358 N ASP A 25 4.424 13.500 4.881 1.00 63.32 N ATOM 359 CA ASP A 25 3.718 13.062 6.083 1.00 42.20 C ATOM 360 C ASP A 25 2.530 12.175 5.732 1.00 35.33 C ATOM 361 O ASP A 25 2.315 11.136 6.352 1.00 31.43 O ATOM 362 CB ASP A 25 3.231 14.271 6.880 1.00 25.23 C ATOM 363 CG ASP A 25 2.387 13.873 8.076 1.00 31.52 C ATOM 364 OD1 ASP A 25 2.948 13.339 9.056 1.00 70.25 O ATOM 365 OD2 ASP A 25 1.155 14.089 8.042 1.00 50.15 O ATOM 0 H ASP A 25 4.524 14.512 4.802 1.00 63.32 H new ATOM 0 HA ASP A 25 4.417 12.484 6.687 1.00 42.20 H new ATOM 0 HB2 ASP A 25 4.090 14.848 7.221 1.00 25.23 H new ATOM 0 HB3 ASP A 25 2.648 14.922 6.228 1.00 25.23 H new ATOM 370 N ALA A 26 1.766 12.591 4.732 1.00 63.12 N ATOM 371 CA ALA A 26 0.613 11.822 4.280 1.00 60.55 C ATOM 372 C ALA A 26 1.051 10.478 3.708 1.00 72.10 C ATOM 373 O ALA A 26 0.415 9.451 3.961 1.00 21.22 O ATOM 374 CB ALA A 26 -0.186 12.611 3.254 1.00 12.31 C ATOM 0 H ALA A 26 1.923 13.457 4.217 1.00 63.12 H new ATOM 0 HA ALA A 26 -0.029 11.630 5.139 1.00 60.55 H new ATOM 0 HB1 ALA A 26 -1.043 12.021 2.928 1.00 12.31 H new ATOM 0 HB2 ALA A 26 -0.535 13.541 3.702 1.00 12.31 H new ATOM 0 HB3 ALA A 26 0.447 12.837 2.396 1.00 12.31 H new ATOM 380 N LEU A 27 2.147 10.491 2.949 1.00 30.33 N ATOM 381 CA LEU A 27 2.750 9.263 2.436 1.00 63.41 C ATOM 382 C LEU A 27 3.048 8.306 3.580 1.00 11.13 C ATOM 383 O LEU A 27 2.606 7.156 3.582 1.00 4.14 O ATOM 384 CB LEU A 27 4.054 9.574 1.694 1.00 60.33 C ATOM 385 CG LEU A 27 3.944 9.770 0.182 1.00 53.44 C ATOM 386 CD1 LEU A 27 3.110 10.990 -0.150 1.00 34.23 C ATOM 387 CD2 LEU A 27 5.333 9.884 -0.427 1.00 22.45 C ATOM 0 H LEU A 27 2.636 11.343 2.675 1.00 30.33 H new ATOM 0 HA LEU A 27 2.043 8.801 1.746 1.00 63.41 H new ATOM 0 HB2 LEU A 27 4.486 10.477 2.125 1.00 60.33 H new ATOM 0 HB3 LEU A 27 4.757 8.763 1.883 1.00 60.33 H new ATOM 0 HG LEU A 27 3.442 8.902 -0.245 1.00 53.44 H new ATOM 0 HD11 LEU A 27 3.049 11.105 -1.232 1.00 34.23 H new ATOM 0 HD12 LEU A 27 2.107 10.868 0.259 1.00 34.23 H new ATOM 0 HD13 LEU A 27 3.573 11.876 0.283 1.00 34.23 H new ATOM 0 HD21 LEU A 27 5.247 10.023 -1.505 1.00 22.45 H new ATOM 0 HD22 LEU A 27 5.853 10.737 0.009 1.00 22.45 H new ATOM 0 HD23 LEU A 27 5.896 8.973 -0.223 1.00 22.45 H new ATOM 399 N GLU A 28 3.785 8.810 4.562 1.00 62.30 N ATOM 400 CA GLU A 28 4.200 8.035 5.715 1.00 33.40 C ATOM 401 C GLU A 28 3.005 7.542 6.523 1.00 24.52 C ATOM 402 O GLU A 28 2.982 6.392 6.961 1.00 64.13 O ATOM 403 CB GLU A 28 5.113 8.891 6.587 1.00 75.10 C ATOM 404 CG GLU A 28 6.459 9.178 5.949 1.00 70.20 C ATOM 405 CD GLU A 28 7.355 10.009 6.840 1.00 43.20 C ATOM 406 OE1 GLU A 28 7.959 9.444 7.775 1.00 44.13 O ATOM 407 OE2 GLU A 28 7.465 11.232 6.611 1.00 3.12 O ATOM 0 H GLU A 28 4.112 9.776 4.577 1.00 62.30 H new ATOM 0 HA GLU A 28 4.738 7.154 5.365 1.00 33.40 H new ATOM 0 HB2 GLU A 28 4.614 9.835 6.805 1.00 75.10 H new ATOM 0 HB3 GLU A 28 5.271 8.386 7.540 1.00 75.10 H new ATOM 0 HG2 GLU A 28 6.956 8.236 5.716 1.00 70.20 H new ATOM 0 HG3 GLU A 28 6.306 9.700 5.004 1.00 70.20 H new ATOM 414 N SER A 29 2.013 8.406 6.706 1.00 2.22 N ATOM 415 CA SER A 29 0.836 8.067 7.494 1.00 15.15 C ATOM 416 C SER A 29 0.059 6.909 6.870 1.00 51.52 C ATOM 417 O SER A 29 -0.362 5.986 7.568 1.00 62.21 O ATOM 418 CB SER A 29 -0.062 9.293 7.642 1.00 13.21 C ATOM 419 OG SER A 29 0.616 10.339 8.319 1.00 4.25 O ATOM 0 H SER A 29 2.002 9.349 6.318 1.00 2.22 H new ATOM 0 HA SER A 29 1.170 7.746 8.481 1.00 15.15 H new ATOM 0 HB2 SER A 29 -0.379 9.637 6.658 1.00 13.21 H new ATOM 0 HB3 SER A 29 -0.964 9.024 8.191 1.00 13.21 H new ATOM 0 HG SER A 29 1.166 10.839 7.681 1.00 4.25 H new ATOM 425 N GLU A 30 -0.118 6.951 5.556 1.00 3.25 N ATOM 426 CA GLU A 30 -0.845 5.897 4.868 1.00 13.13 C ATOM 427 C GLU A 30 0.008 4.643 4.789 1.00 14.43 C ATOM 428 O GLU A 30 -0.474 3.537 5.018 1.00 2.11 O ATOM 429 CB GLU A 30 -1.253 6.343 3.468 1.00 12.01 C ATOM 430 CG GLU A 30 -2.335 5.465 2.862 1.00 25.14 C ATOM 431 CD GLU A 30 -2.925 6.034 1.590 1.00 13.53 C ATOM 432 OE1 GLU A 30 -3.139 7.263 1.529 1.00 35.11 O ATOM 433 OE2 GLU A 30 -3.217 5.251 0.661 1.00 64.45 O ATOM 0 H GLU A 30 0.229 7.696 4.952 1.00 3.25 H new ATOM 0 HA GLU A 30 -1.750 5.678 5.434 1.00 13.13 H new ATOM 0 HB2 GLU A 30 -1.608 7.373 3.509 1.00 12.01 H new ATOM 0 HB3 GLU A 30 -0.377 6.333 2.819 1.00 12.01 H new ATOM 0 HG2 GLU A 30 -1.918 4.480 2.652 1.00 25.14 H new ATOM 0 HG3 GLU A 30 -3.131 5.325 3.593 1.00 25.14 H new ATOM 440 N LEU A 31 1.283 4.835 4.477 1.00 54.14 N ATOM 441 CA LEU A 31 2.244 3.733 4.423 1.00 70.24 C ATOM 442 C LEU A 31 2.224 2.940 5.719 1.00 32.13 C ATOM 443 O LEU A 31 2.198 1.712 5.709 1.00 3.04 O ATOM 444 CB LEU A 31 3.656 4.264 4.196 1.00 30.41 C ATOM 445 CG LEU A 31 4.711 3.194 3.895 1.00 52.12 C ATOM 446 CD1 LEU A 31 4.473 2.566 2.528 1.00 34.55 C ATOM 447 CD2 LEU A 31 6.111 3.783 3.983 1.00 23.52 C ATOM 0 H LEU A 31 1.681 5.748 4.256 1.00 54.14 H new ATOM 0 HA LEU A 31 1.958 3.085 3.594 1.00 70.24 H new ATOM 0 HB2 LEU A 31 3.633 4.972 3.368 1.00 30.41 H new ATOM 0 HB3 LEU A 31 3.966 4.819 5.082 1.00 30.41 H new ATOM 0 HG LEU A 31 4.623 2.409 4.646 1.00 52.12 H new ATOM 0 HD11 LEU A 31 5.235 1.810 2.337 1.00 34.55 H new ATOM 0 HD12 LEU A 31 3.487 2.101 2.508 1.00 34.55 H new ATOM 0 HD13 LEU A 31 4.527 3.337 1.759 1.00 34.55 H new ATOM 0 HD21 LEU A 31 6.846 3.008 3.766 1.00 23.52 H new ATOM 0 HD22 LEU A 31 6.212 4.592 3.259 1.00 23.52 H new ATOM 0 HD23 LEU A 31 6.280 4.172 4.987 1.00 23.52 H new ATOM 459 N ALA A 32 2.239 3.665 6.830 1.00 2.43 N ATOM 460 CA ALA A 32 2.193 3.064 8.161 1.00 41.23 C ATOM 461 C ALA A 32 0.969 2.165 8.330 1.00 32.44 C ATOM 462 O ALA A 32 1.028 1.155 9.028 1.00 13.43 O ATOM 463 CB ALA A 32 2.200 4.145 9.230 1.00 10.42 C ATOM 0 H ALA A 32 2.283 4.684 6.836 1.00 2.43 H new ATOM 0 HA ALA A 32 3.082 2.443 8.274 1.00 41.23 H new ATOM 0 HB1 ALA A 32 2.165 3.682 10.216 1.00 10.42 H new ATOM 0 HB2 ALA A 32 3.109 4.740 9.140 1.00 10.42 H new ATOM 0 HB3 ALA A 32 1.331 4.790 9.101 1.00 10.42 H new ATOM 469 N LYS A 33 -0.133 2.527 7.685 1.00 20.41 N ATOM 470 CA LYS A 33 -1.345 1.731 7.748 1.00 60.10 C ATOM 471 C LYS A 33 -1.223 0.478 6.894 1.00 11.44 C ATOM 472 O LYS A 33 -1.742 -0.578 7.251 1.00 61.44 O ATOM 473 CB LYS A 33 -2.549 2.566 7.324 1.00 55.21 C ATOM 474 CG LYS A 33 -3.070 3.468 8.429 1.00 30.02 C ATOM 475 CD LYS A 33 -3.508 2.651 9.635 1.00 50.31 C ATOM 476 CE LYS A 33 -3.933 3.530 10.794 1.00 20.12 C ATOM 477 NZ LYS A 33 -4.312 2.714 11.977 1.00 63.44 N ATOM 0 H LYS A 33 -0.209 3.368 7.113 1.00 20.41 H new ATOM 0 HA LYS A 33 -1.492 1.413 8.780 1.00 60.10 H new ATOM 0 HB2 LYS A 33 -2.275 3.177 6.464 1.00 55.21 H new ATOM 0 HB3 LYS A 33 -3.349 1.900 7.000 1.00 55.21 H new ATOM 0 HG2 LYS A 33 -2.293 4.173 8.725 1.00 30.02 H new ATOM 0 HG3 LYS A 33 -3.910 4.056 8.058 1.00 30.02 H new ATOM 0 HD2 LYS A 33 -4.336 2.001 9.351 1.00 50.31 H new ATOM 0 HD3 LYS A 33 -2.689 2.005 9.952 1.00 50.31 H new ATOM 0 HE2 LYS A 33 -3.119 4.204 11.060 1.00 20.12 H new ATOM 0 HE3 LYS A 33 -4.776 4.151 10.492 1.00 20.12 H new ATOM 0 HZ1 LYS A 33 -4.335 3.319 12.823 1.00 63.44 H new ATOM 0 HZ2 LYS A 33 -5.252 2.296 11.824 1.00 63.44 H new ATOM 0 HZ3 LYS A 33 -3.614 1.955 12.113 1.00 63.44 H new ATOM 491 N TYR A 34 -0.536 0.597 5.768 1.00 45.15 N ATOM 492 CA TYR A 34 -0.240 -0.561 4.931 1.00 24.14 C ATOM 493 C TYR A 34 0.724 -1.494 5.658 1.00 23.34 C ATOM 494 O TYR A 34 0.594 -2.711 5.584 1.00 64.13 O ATOM 495 CB TYR A 34 0.352 -0.130 3.583 1.00 11.32 C ATOM 496 CG TYR A 34 -0.661 0.459 2.621 1.00 34.30 C ATOM 497 CD1 TYR A 34 -1.390 1.592 2.951 1.00 5.41 C ATOM 498 CD2 TYR A 34 -0.884 -0.121 1.378 1.00 11.41 C ATOM 499 CE1 TYR A 34 -2.311 2.133 2.076 1.00 53.31 C ATOM 500 CE2 TYR A 34 -1.805 0.414 0.495 1.00 51.35 C ATOM 501 CZ TYR A 34 -2.516 1.544 0.850 1.00 62.30 C ATOM 502 OH TYR A 34 -3.432 2.089 -0.021 1.00 70.33 O ATOM 0 H TYR A 34 -0.173 1.481 5.411 1.00 45.15 H new ATOM 0 HA TYR A 34 -1.172 -1.091 4.735 1.00 24.14 H new ATOM 0 HB2 TYR A 34 1.137 0.605 3.762 1.00 11.32 H new ATOM 0 HB3 TYR A 34 0.824 -0.993 3.113 1.00 11.32 H new ATOM 0 HD1 TYR A 34 -1.234 2.060 3.912 1.00 5.41 H new ATOM 0 HD2 TYR A 34 -0.329 -1.004 1.097 1.00 11.41 H new ATOM 0 HE1 TYR A 34 -2.868 3.015 2.353 1.00 53.31 H new ATOM 0 HE2 TYR A 34 -1.967 -0.049 -0.467 1.00 51.35 H new ATOM 0 HH TYR A 34 -3.445 3.063 0.085 1.00 70.33 H new ATOM 512 N ILE A 35 1.685 -0.909 6.370 1.00 23.51 N ATOM 513 CA ILE A 35 2.611 -1.681 7.194 1.00 65.33 C ATOM 514 C ILE A 35 1.860 -2.353 8.343 1.00 30.32 C ATOM 515 O ILE A 35 2.136 -3.500 8.696 1.00 51.52 O ATOM 516 CB ILE A 35 3.746 -0.788 7.756 1.00 13.24 C ATOM 517 CG1 ILE A 35 4.543 -0.156 6.609 1.00 51.23 C ATOM 518 CG2 ILE A 35 4.670 -1.595 8.658 1.00 32.43 C ATOM 519 CD1 ILE A 35 5.619 0.806 7.069 1.00 42.42 C ATOM 0 H ILE A 35 1.842 0.099 6.392 1.00 23.51 H new ATOM 0 HA ILE A 35 3.063 -2.445 6.562 1.00 65.33 H new ATOM 0 HB ILE A 35 3.294 0.007 8.350 1.00 13.24 H new ATOM 0 HG12 ILE A 35 5.005 -0.949 6.020 1.00 51.23 H new ATOM 0 HG13 ILE A 35 3.855 0.372 5.949 1.00 51.23 H new ATOM 0 HG21 ILE A 35 5.460 -0.949 9.042 1.00 32.43 H new ATOM 0 HG22 ILE A 35 4.099 -2.004 9.491 1.00 32.43 H new ATOM 0 HG23 ILE A 35 5.114 -2.411 8.088 1.00 32.43 H new ATOM 0 HD11 ILE A 35 6.139 1.212 6.201 1.00 42.42 H new ATOM 0 HD12 ILE A 35 5.163 1.620 7.632 1.00 42.42 H new ATOM 0 HD13 ILE A 35 6.330 0.279 7.705 1.00 42.42 H new ATOM 531 N GLU A 36 0.895 -1.636 8.906 1.00 73.53 N ATOM 532 CA GLU A 36 0.047 -2.165 9.946 1.00 2.12 C ATOM 533 C GLU A 36 -0.719 -3.378 9.432 1.00 21.34 C ATOM 534 O GLU A 36 -0.753 -4.430 10.073 1.00 2.24 O ATOM 535 CB GLU A 36 -0.916 -1.070 10.393 1.00 3.52 C ATOM 536 CG GLU A 36 -1.722 -1.434 11.611 1.00 43.14 C ATOM 537 CD GLU A 36 -2.856 -0.463 11.872 1.00 54.01 C ATOM 538 OE1 GLU A 36 -2.590 0.673 12.316 1.00 43.14 O ATOM 539 OE2 GLU A 36 -4.022 -0.827 11.623 1.00 11.13 O ATOM 0 H GLU A 36 0.685 -0.672 8.648 1.00 73.53 H new ATOM 0 HA GLU A 36 0.652 -2.485 10.794 1.00 2.12 H new ATOM 0 HB2 GLU A 36 -0.349 -0.163 10.601 1.00 3.52 H new ATOM 0 HB3 GLU A 36 -1.596 -0.840 9.573 1.00 3.52 H new ATOM 0 HG2 GLU A 36 -2.129 -2.437 11.486 1.00 43.14 H new ATOM 0 HG3 GLU A 36 -1.066 -1.463 12.481 1.00 43.14 H new ATOM 546 N LEU A 37 -1.321 -3.222 8.261 1.00 14.33 N ATOM 547 CA LEU A 37 -2.023 -4.318 7.612 1.00 74.41 C ATOM 548 C LEU A 37 -1.055 -5.436 7.254 1.00 52.34 C ATOM 549 O LEU A 37 -1.409 -6.613 7.299 1.00 11.31 O ATOM 550 CB LEU A 37 -2.730 -3.827 6.347 1.00 61.24 C ATOM 551 CG LEU A 37 -3.872 -2.834 6.573 1.00 13.23 C ATOM 552 CD1 LEU A 37 -4.503 -2.446 5.246 1.00 64.32 C ATOM 553 CD2 LEU A 37 -4.921 -3.418 7.511 1.00 40.51 C ATOM 0 H LEU A 37 -1.337 -2.345 7.741 1.00 14.33 H new ATOM 0 HA LEU A 37 -2.767 -4.703 8.310 1.00 74.41 H new ATOM 0 HB2 LEU A 37 -1.990 -3.361 5.696 1.00 61.24 H new ATOM 0 HB3 LEU A 37 -3.124 -4.692 5.813 1.00 61.24 H new ATOM 0 HG LEU A 37 -3.460 -1.939 7.040 1.00 13.23 H new ATOM 0 HD11 LEU A 37 -5.314 -1.739 5.422 1.00 64.32 H new ATOM 0 HD12 LEU A 37 -3.751 -1.984 4.607 1.00 64.32 H new ATOM 0 HD13 LEU A 37 -4.897 -3.336 4.757 1.00 64.32 H new ATOM 0 HD21 LEU A 37 -5.723 -2.694 7.656 1.00 40.51 H new ATOM 0 HD22 LEU A 37 -5.330 -4.330 7.076 1.00 40.51 H new ATOM 0 HD23 LEU A 37 -4.462 -3.649 8.472 1.00 40.51 H new ATOM 565 N ALA A 38 0.173 -5.060 6.918 1.00 55.33 N ATOM 566 CA ALA A 38 1.182 -6.025 6.513 1.00 3.44 C ATOM 567 C ALA A 38 1.537 -6.951 7.663 1.00 1.21 C ATOM 568 O ALA A 38 1.585 -8.158 7.488 1.00 41.21 O ATOM 569 CB ALA A 38 2.427 -5.321 5.994 1.00 31.03 C ATOM 0 H ALA A 38 0.492 -4.091 6.919 1.00 55.33 H new ATOM 0 HA ALA A 38 0.766 -6.626 5.705 1.00 3.44 H new ATOM 0 HB1 ALA A 38 3.168 -6.063 5.697 1.00 31.03 H new ATOM 0 HB2 ALA A 38 2.165 -4.706 5.133 1.00 31.03 H new ATOM 0 HB3 ALA A 38 2.842 -4.689 6.779 1.00 31.03 H new ATOM 575 N LYS A 39 1.757 -6.381 8.842 1.00 34.52 N ATOM 576 CA LYS A 39 2.111 -7.168 10.016 1.00 22.44 C ATOM 577 C LYS A 39 0.952 -8.060 10.450 1.00 22.22 C ATOM 578 O LYS A 39 1.162 -9.143 10.997 1.00 70.34 O ATOM 579 CB LYS A 39 2.508 -6.252 11.173 1.00 5.53 C ATOM 580 CG LYS A 39 3.742 -5.408 10.905 1.00 11.20 C ATOM 581 CD LYS A 39 4.066 -4.517 12.093 1.00 64.35 C ATOM 582 CE LYS A 39 5.291 -3.657 11.836 1.00 2.41 C ATOM 583 NZ LYS A 39 5.625 -2.809 13.010 1.00 14.01 N ATOM 0 H LYS A 39 1.696 -5.377 9.010 1.00 34.52 H new ATOM 0 HA LYS A 39 2.957 -7.800 9.747 1.00 22.44 H new ATOM 0 HB2 LYS A 39 1.672 -5.591 11.401 1.00 5.53 H new ATOM 0 HB3 LYS A 39 2.684 -6.861 12.060 1.00 5.53 H new ATOM 0 HG2 LYS A 39 4.591 -6.058 10.692 1.00 11.20 H new ATOM 0 HG3 LYS A 39 3.580 -4.794 10.019 1.00 11.20 H new ATOM 0 HD2 LYS A 39 3.211 -3.876 12.311 1.00 64.35 H new ATOM 0 HD3 LYS A 39 4.234 -5.135 12.975 1.00 64.35 H new ATOM 0 HE2 LYS A 39 6.140 -4.296 11.596 1.00 2.41 H new ATOM 0 HE3 LYS A 39 5.114 -3.022 10.968 1.00 2.41 H new ATOM 0 HZ1 LYS A 39 6.467 -2.236 12.796 1.00 14.01 H new ATOM 0 HZ2 LYS A 39 4.824 -2.181 13.224 1.00 14.01 H new ATOM 0 HZ3 LYS A 39 5.818 -3.415 13.832 1.00 14.01 H new ATOM 597 N SER A 40 -0.266 -7.597 10.208 1.00 44.53 N ATOM 598 CA SER A 40 -1.457 -8.354 10.569 1.00 43.20 C ATOM 599 C SER A 40 -1.628 -9.552 9.633 1.00 54.44 C ATOM 600 O SER A 40 -2.207 -10.574 10.006 1.00 31.35 O ATOM 601 CB SER A 40 -2.691 -7.445 10.511 1.00 35.32 C ATOM 602 OG SER A 40 -3.837 -8.080 11.054 1.00 21.45 O ATOM 0 H SER A 40 -0.456 -6.699 9.762 1.00 44.53 H new ATOM 0 HA SER A 40 -1.345 -8.727 11.587 1.00 43.20 H new ATOM 0 HB2 SER A 40 -2.491 -6.525 11.060 1.00 35.32 H new ATOM 0 HB3 SER A 40 -2.887 -7.163 9.476 1.00 35.32 H new ATOM 0 HG SER A 40 -4.604 -7.472 11.002 1.00 21.45 H new ATOM 608 N VAL A 41 -1.118 -9.421 8.415 1.00 71.11 N ATOM 609 CA VAL A 41 -1.223 -10.485 7.429 1.00 74.44 C ATOM 610 C VAL A 41 0.024 -11.366 7.432 1.00 72.33 C ATOM 611 O VAL A 41 -0.072 -12.593 7.394 1.00 44.12 O ATOM 612 CB VAL A 41 -1.454 -9.922 6.008 1.00 15.13 C ATOM 613 CG1 VAL A 41 -1.499 -11.042 4.984 1.00 22.14 C ATOM 614 CG2 VAL A 41 -2.737 -9.108 5.957 1.00 13.34 C ATOM 0 H VAL A 41 -0.628 -8.588 8.088 1.00 71.11 H new ATOM 0 HA VAL A 41 -2.086 -11.090 7.708 1.00 74.44 H new ATOM 0 HB VAL A 41 -0.617 -9.267 5.764 1.00 15.13 H new ATOM 0 HG11 VAL A 41 -1.663 -10.621 3.992 1.00 22.14 H new ATOM 0 HG12 VAL A 41 -0.554 -11.585 4.997 1.00 22.14 H new ATOM 0 HG13 VAL A 41 -2.313 -11.725 5.227 1.00 22.14 H new ATOM 0 HG21 VAL A 41 -2.882 -8.720 4.949 1.00 13.34 H new ATOM 0 HG22 VAL A 41 -3.581 -9.742 6.227 1.00 13.34 H new ATOM 0 HG23 VAL A 41 -2.669 -8.277 6.659 1.00 13.34 H new ATOM 624 N CYS A 42 1.189 -10.740 7.501 1.00 4.14 N ATOM 625 CA CYS A 42 2.445 -11.455 7.382 1.00 50.01 C ATOM 626 C CYS A 42 3.471 -10.908 8.370 1.00 41.20 C ATOM 627 O CYS A 42 3.793 -9.723 8.356 1.00 23.43 O ATOM 628 CB CYS A 42 2.968 -11.330 5.951 1.00 23.24 C ATOM 629 SG CYS A 42 4.409 -12.355 5.579 1.00 43.14 S ATOM 0 H CYS A 42 1.288 -9.734 7.639 1.00 4.14 H new ATOM 0 HA CYS A 42 2.278 -12.507 7.615 1.00 50.01 H new ATOM 0 HB2 CYS A 42 2.165 -11.592 5.262 1.00 23.24 H new ATOM 0 HB3 CYS A 42 3.223 -10.287 5.762 1.00 23.24 H new ATOM 0 HG CYS A 42 4.121 -13.174 4.612 1.00 43.14 H new ATOM 635 N ALA A 43 3.976 -11.779 9.229 1.00 42.22 N ATOM 636 CA ALA A 43 4.978 -11.387 10.209 1.00 64.41 C ATOM 637 C ALA A 43 6.365 -11.334 9.575 1.00 42.54 C ATOM 638 O ALA A 43 7.296 -10.769 10.144 1.00 24.11 O ATOM 639 CB ALA A 43 4.966 -12.350 11.387 1.00 10.20 C ATOM 0 H ALA A 43 3.709 -12.763 9.268 1.00 42.22 H new ATOM 0 HA ALA A 43 4.733 -10.388 10.571 1.00 64.41 H new ATOM 0 HB1 ALA A 43 5.720 -12.046 12.113 1.00 10.20 H new ATOM 0 HB2 ALA A 43 3.983 -12.337 11.858 1.00 10.20 H new ATOM 0 HB3 ALA A 43 5.187 -13.358 11.035 1.00 10.20 H new ATOM 645 N GLY A 44 6.489 -11.918 8.391 1.00 21.21 N ATOM 646 CA GLY A 44 7.767 -11.951 7.711 1.00 42.10 C ATOM 647 C GLY A 44 7.681 -11.385 6.312 1.00 52.31 C ATOM 648 O GLY A 44 8.118 -12.014 5.349 1.00 64.31 O ATOM 0 H GLY A 44 5.725 -12.370 7.889 1.00 21.21 H new ATOM 0 HA2 GLY A 44 8.498 -11.384 8.287 1.00 42.10 H new ATOM 0 HA3 GLY A 44 8.126 -12.979 7.664 1.00 42.10 H new ATOM 652 N VAL A 45 7.092 -10.205 6.202 1.00 73.23 N ATOM 653 CA VAL A 45 6.936 -9.543 4.921 1.00 65.01 C ATOM 654 C VAL A 45 8.132 -8.634 4.620 1.00 34.52 C ATOM 655 O VAL A 45 8.428 -7.697 5.365 1.00 10.24 O ATOM 656 CB VAL A 45 5.611 -8.736 4.876 1.00 71.12 C ATOM 657 CG1 VAL A 45 5.528 -7.740 6.026 1.00 53.34 C ATOM 658 CG2 VAL A 45 5.448 -8.030 3.538 1.00 14.13 C ATOM 0 H VAL A 45 6.712 -9.684 6.992 1.00 73.23 H new ATOM 0 HA VAL A 45 6.896 -10.313 4.150 1.00 65.01 H new ATOM 0 HB VAL A 45 4.791 -9.445 4.989 1.00 71.12 H new ATOM 0 HG11 VAL A 45 4.588 -7.191 5.965 1.00 53.34 H new ATOM 0 HG12 VAL A 45 5.575 -8.275 6.975 1.00 53.34 H new ATOM 0 HG13 VAL A 45 6.361 -7.040 5.962 1.00 53.34 H new ATOM 0 HG21 VAL A 45 4.512 -7.472 3.533 1.00 14.13 H new ATOM 0 HG22 VAL A 45 6.281 -7.343 3.385 1.00 14.13 H new ATOM 0 HG23 VAL A 45 5.435 -8.768 2.736 1.00 14.13 H new ATOM 668 N GLU A 46 8.834 -8.934 3.538 1.00 41.23 N ATOM 669 CA GLU A 46 9.944 -8.101 3.090 1.00 50.32 C ATOM 670 C GLU A 46 9.424 -7.019 2.166 1.00 74.22 C ATOM 671 O GLU A 46 8.646 -7.299 1.262 1.00 63.45 O ATOM 672 CB GLU A 46 11.000 -8.924 2.351 1.00 65.24 C ATOM 673 CG GLU A 46 11.941 -9.704 3.253 1.00 61.30 C ATOM 674 CD GLU A 46 11.232 -10.712 4.133 1.00 30.03 C ATOM 675 OE1 GLU A 46 10.780 -11.753 3.610 1.00 62.10 O ATOM 676 OE2 GLU A 46 11.137 -10.467 5.354 1.00 12.11 O ATOM 0 H GLU A 46 8.656 -9.749 2.952 1.00 41.23 H new ATOM 0 HA GLU A 46 10.408 -7.658 3.971 1.00 50.32 H new ATOM 0 HB2 GLU A 46 10.495 -9.623 1.684 1.00 65.24 H new ATOM 0 HB3 GLU A 46 11.590 -8.255 1.725 1.00 65.24 H new ATOM 0 HG2 GLU A 46 12.675 -10.223 2.637 1.00 61.30 H new ATOM 0 HG3 GLU A 46 12.491 -9.005 3.884 1.00 61.30 H new ATOM 683 N TYR A 47 9.845 -5.791 2.381 1.00 4.31 N ATOM 684 CA TYR A 47 9.364 -4.699 1.555 1.00 52.21 C ATOM 685 C TYR A 47 10.440 -3.667 1.283 1.00 52.50 C ATOM 686 O TYR A 47 11.243 -3.330 2.153 1.00 34.12 O ATOM 687 CB TYR A 47 8.131 -4.030 2.173 1.00 32.53 C ATOM 688 CG TYR A 47 8.263 -3.667 3.639 1.00 4.23 C ATOM 689 CD1 TYR A 47 8.851 -2.470 4.030 1.00 31.21 C ATOM 690 CD2 TYR A 47 7.785 -4.517 4.628 1.00 13.13 C ATOM 691 CE1 TYR A 47 8.959 -2.132 5.367 1.00 41.52 C ATOM 692 CE2 TYR A 47 7.890 -4.187 5.966 1.00 13.52 C ATOM 693 CZ TYR A 47 8.477 -2.993 6.329 1.00 34.23 C ATOM 694 OH TYR A 47 8.582 -2.661 7.662 1.00 51.04 O ATOM 0 H TYR A 47 10.509 -5.524 3.108 1.00 4.31 H new ATOM 0 HA TYR A 47 9.078 -5.139 0.599 1.00 52.21 H new ATOM 0 HB2 TYR A 47 7.907 -3.124 1.609 1.00 32.53 H new ATOM 0 HB3 TYR A 47 7.277 -4.698 2.055 1.00 32.53 H new ATOM 0 HD1 TYR A 47 9.230 -1.793 3.278 1.00 31.21 H new ATOM 0 HD2 TYR A 47 7.323 -5.452 4.347 1.00 13.13 H new ATOM 0 HE1 TYR A 47 9.419 -1.198 5.655 1.00 41.52 H new ATOM 0 HE2 TYR A 47 7.515 -4.860 6.723 1.00 13.52 H new ATOM 0 HH TYR A 47 8.193 -3.375 8.209 1.00 51.04 H new ATOM 704 N ASN A 48 10.447 -3.186 0.056 1.00 4.53 N ATOM 705 CA ASN A 48 11.310 -2.084 -0.340 1.00 54.32 C ATOM 706 C ASN A 48 10.437 -0.875 -0.595 1.00 20.10 C ATOM 707 O ASN A 48 9.220 -1.010 -0.703 1.00 23.45 O ATOM 708 CB ASN A 48 12.093 -2.394 -1.618 1.00 72.12 C ATOM 709 CG ASN A 48 12.905 -3.672 -1.560 1.00 65.25 C ATOM 710 OD1 ASN A 48 13.036 -4.363 -2.568 1.00 74.22 O ATOM 711 ND2 ASN A 48 13.474 -3.982 -0.403 1.00 13.42 N ATOM 0 H ASN A 48 9.857 -3.545 -0.695 1.00 4.53 H new ATOM 0 HA ASN A 48 12.030 -1.908 0.459 1.00 54.32 H new ATOM 0 HB2 ASN A 48 11.393 -2.460 -2.451 1.00 72.12 H new ATOM 0 HB3 ASN A 48 12.764 -1.561 -1.830 1.00 72.12 H new ATOM 0 HD21 ASN A 48 14.047 -4.822 -0.325 1.00 13.42 H new ATOM 0 HD22 ASN A 48 13.339 -3.380 0.409 1.00 13.42 H new ATOM 718 N VAL A 49 11.042 0.286 -0.715 1.00 4.22 N ATOM 719 CA VAL A 49 10.293 1.502 -0.971 1.00 4.14 C ATOM 720 C VAL A 49 11.177 2.514 -1.699 1.00 53.42 C ATOM 721 O VAL A 49 12.404 2.387 -1.689 1.00 63.22 O ATOM 722 CB VAL A 49 9.750 2.106 0.351 1.00 40.45 C ATOM 723 CG1 VAL A 49 10.881 2.604 1.239 1.00 40.25 C ATOM 724 CG2 VAL A 49 8.746 3.214 0.078 1.00 44.41 C ATOM 0 H VAL A 49 12.051 0.417 -0.640 1.00 4.22 H new ATOM 0 HA VAL A 49 9.440 1.257 -1.604 1.00 4.14 H new ATOM 0 HB VAL A 49 9.233 1.309 0.886 1.00 40.45 H new ATOM 0 HG11 VAL A 49 10.466 3.021 2.157 1.00 40.25 H new ATOM 0 HG12 VAL A 49 11.543 1.774 1.484 1.00 40.25 H new ATOM 0 HG13 VAL A 49 11.445 3.374 0.713 1.00 40.25 H new ATOM 0 HG21 VAL A 49 8.383 3.617 1.023 1.00 44.41 H new ATOM 0 HG22 VAL A 49 9.226 4.007 -0.495 1.00 44.41 H new ATOM 0 HG23 VAL A 49 7.907 2.813 -0.491 1.00 44.41 H new ATOM 734 N SER A 50 10.560 3.480 -2.366 1.00 11.21 N ATOM 735 CA SER A 50 11.298 4.562 -3.004 1.00 60.04 C ATOM 736 C SER A 50 11.945 5.448 -1.939 1.00 50.02 C ATOM 737 O SER A 50 11.667 5.304 -0.746 1.00 3.01 O ATOM 738 CB SER A 50 10.356 5.402 -3.869 1.00 72.14 C ATOM 739 OG SER A 50 9.511 4.574 -4.655 1.00 50.10 O ATOM 0 H SER A 50 9.548 3.536 -2.480 1.00 11.21 H new ATOM 0 HA SER A 50 12.075 4.133 -3.637 1.00 60.04 H new ATOM 0 HB2 SER A 50 9.749 6.046 -3.232 1.00 72.14 H new ATOM 0 HB3 SER A 50 10.939 6.054 -4.519 1.00 72.14 H new ATOM 0 HG SER A 50 9.032 5.123 -5.310 1.00 50.10 H new ATOM 745 N GLU A 51 12.803 6.357 -2.364 1.00 63.55 N ATOM 746 CA GLU A 51 13.436 7.279 -1.436 1.00 1.31 C ATOM 747 C GLU A 51 12.518 8.469 -1.178 1.00 34.23 C ATOM 748 O GLU A 51 11.948 9.045 -2.106 1.00 65.23 O ATOM 749 CB GLU A 51 14.807 7.751 -1.948 1.00 11.34 C ATOM 750 CG GLU A 51 14.790 8.382 -3.335 1.00 43.31 C ATOM 751 CD GLU A 51 14.764 7.358 -4.452 1.00 52.21 C ATOM 752 OE1 GLU A 51 13.662 6.922 -4.846 1.00 11.12 O ATOM 753 OE2 GLU A 51 15.848 7.000 -4.956 1.00 73.14 O ATOM 0 H GLU A 51 13.077 6.477 -3.339 1.00 63.55 H new ATOM 0 HA GLU A 51 13.607 6.750 -0.498 1.00 1.31 H new ATOM 0 HB2 GLU A 51 15.214 8.474 -1.241 1.00 11.34 H new ATOM 0 HB3 GLU A 51 15.487 6.899 -1.960 1.00 11.34 H new ATOM 0 HG2 GLU A 51 13.917 9.029 -3.423 1.00 43.31 H new ATOM 0 HG3 GLU A 51 15.670 9.015 -3.451 1.00 43.31 H new ATOM 760 N LEU A 52 12.362 8.820 0.087 1.00 72.01 N ATOM 761 CA LEU A 52 11.476 9.901 0.472 1.00 3.42 C ATOM 762 C LEU A 52 12.221 11.225 0.488 1.00 61.42 C ATOM 763 O LEU A 52 13.362 11.303 0.945 1.00 61.50 O ATOM 764 CB LEU A 52 10.871 9.620 1.850 1.00 53.03 C ATOM 765 CG LEU A 52 9.997 8.368 1.937 1.00 43.32 C ATOM 766 CD1 LEU A 52 9.509 8.159 3.361 1.00 32.32 C ATOM 767 CD2 LEU A 52 8.819 8.475 0.978 1.00 5.14 C ATOM 0 H LEU A 52 12.840 8.369 0.867 1.00 72.01 H new ATOM 0 HA LEU A 52 10.673 9.967 -0.262 1.00 3.42 H new ATOM 0 HB2 LEU A 52 11.682 9.528 2.573 1.00 53.03 H new ATOM 0 HB3 LEU A 52 10.274 10.481 2.149 1.00 53.03 H new ATOM 0 HG LEU A 52 10.598 7.505 1.650 1.00 43.32 H new ATOM 0 HD11 LEU A 52 8.888 7.264 3.405 1.00 32.32 H new ATOM 0 HD12 LEU A 52 10.365 8.040 4.025 1.00 32.32 H new ATOM 0 HD13 LEU A 52 8.923 9.023 3.675 1.00 32.32 H new ATOM 0 HD21 LEU A 52 8.207 7.576 1.052 1.00 5.14 H new ATOM 0 HD22 LEU A 52 8.217 9.346 1.237 1.00 5.14 H new ATOM 0 HD23 LEU A 52 9.189 8.579 -0.042 1.00 5.14 H new ATOM 779 N THR A 53 11.572 12.256 -0.018 1.00 74.11 N ATOM 780 CA THR A 53 12.135 13.592 -0.016 1.00 72.34 C ATOM 781 C THR A 53 11.124 14.569 0.568 1.00 2.03 C ATOM 782 O THR A 53 10.020 14.170 0.932 1.00 53.53 O ATOM 783 CB THR A 53 12.542 14.039 -1.435 1.00 42.12 C ATOM 784 OG1 THR A 53 11.467 13.813 -2.355 1.00 33.23 O ATOM 785 CG2 THR A 53 13.787 13.300 -1.906 1.00 12.54 C ATOM 0 H THR A 53 10.645 12.192 -0.440 1.00 74.11 H new ATOM 0 HA THR A 53 13.035 13.581 0.598 1.00 72.34 H new ATOM 0 HB THR A 53 12.766 15.105 -1.399 1.00 42.12 H new ATOM 0 HG1 THR A 53 11.737 14.102 -3.251 1.00 33.23 H new ATOM 0 HG21 THR A 53 14.051 13.635 -2.909 1.00 12.54 H new ATOM 0 HG22 THR A 53 14.613 13.507 -1.225 1.00 12.54 H new ATOM 0 HG23 THR A 53 13.590 12.228 -1.921 1.00 12.54 H new ATOM 793 N GLU A 54 11.498 15.839 0.660 1.00 41.54 N ATOM 794 CA GLU A 54 10.639 16.852 1.253 1.00 33.53 C ATOM 795 C GLU A 54 9.272 16.909 0.567 1.00 31.12 C ATOM 796 O GLU A 54 8.242 17.024 1.228 1.00 54.42 O ATOM 797 CB GLU A 54 11.330 18.214 1.189 1.00 21.10 C ATOM 798 CG GLU A 54 11.646 18.683 -0.220 1.00 22.22 C ATOM 799 CD GLU A 54 12.324 20.034 -0.252 1.00 53.10 C ATOM 800 OE1 GLU A 54 11.626 21.058 -0.082 1.00 10.05 O ATOM 801 OE2 GLU A 54 13.552 20.084 -0.470 1.00 5.23 O ATOM 0 H GLU A 54 12.396 16.192 0.329 1.00 41.54 H new ATOM 0 HA GLU A 54 10.466 16.583 2.295 1.00 33.53 H new ATOM 0 HB2 GLU A 54 10.694 18.955 1.673 1.00 21.10 H new ATOM 0 HB3 GLU A 54 12.257 18.167 1.761 1.00 21.10 H new ATOM 0 HG2 GLU A 54 12.288 17.948 -0.707 1.00 22.22 H new ATOM 0 HG3 GLU A 54 10.723 18.732 -0.797 1.00 22.22 H new ATOM 808 N GLU A 55 9.270 16.815 -0.753 1.00 30.24 N ATOM 809 CA GLU A 55 8.037 16.871 -1.521 1.00 24.35 C ATOM 810 C GLU A 55 7.838 15.630 -2.374 1.00 13.14 C ATOM 811 O GLU A 55 7.321 15.718 -3.490 1.00 35.13 O ATOM 812 CB GLU A 55 8.020 18.108 -2.412 1.00 23.33 C ATOM 813 CG GLU A 55 7.579 19.368 -1.692 1.00 50.42 C ATOM 814 CD GLU A 55 7.581 20.576 -2.595 1.00 61.34 C ATOM 815 OE1 GLU A 55 6.851 20.570 -3.607 1.00 11.23 O ATOM 816 OE2 GLU A 55 8.311 21.540 -2.294 1.00 42.24 O ATOM 0 H GLU A 55 10.112 16.699 -1.317 1.00 30.24 H new ATOM 0 HA GLU A 55 7.218 16.922 -0.804 1.00 24.35 H new ATOM 0 HB2 GLU A 55 9.018 18.264 -2.822 1.00 23.33 H new ATOM 0 HB3 GLU A 55 7.353 17.929 -3.255 1.00 23.33 H new ATOM 0 HG2 GLU A 55 6.577 19.221 -1.288 1.00 50.42 H new ATOM 0 HG3 GLU A 55 8.240 19.550 -0.845 1.00 50.42 H new ATOM 823 N SER A 56 8.233 14.472 -1.867 1.00 54.35 N ATOM 824 CA SER A 56 7.893 13.236 -2.540 1.00 41.21 C ATOM 825 C SER A 56 6.399 12.996 -2.421 1.00 32.32 C ATOM 826 O SER A 56 5.880 12.786 -1.325 1.00 3.12 O ATOM 827 CB SER A 56 8.669 12.055 -1.963 1.00 33.41 C ATOM 828 OG SER A 56 8.751 12.134 -0.551 1.00 43.13 O ATOM 0 H SER A 56 8.777 14.366 -1.011 1.00 54.35 H new ATOM 0 HA SER A 56 8.168 13.325 -3.591 1.00 41.21 H new ATOM 0 HB2 SER A 56 8.183 11.123 -2.250 1.00 33.41 H new ATOM 0 HB3 SER A 56 9.673 12.034 -2.387 1.00 33.41 H new ATOM 0 HG SER A 56 7.868 12.345 -0.183 1.00 43.13 H new ATOM 834 N LYS A 57 5.711 13.073 -3.545 1.00 64.53 N ATOM 835 CA LYS A 57 4.274 12.869 -3.573 1.00 62.44 C ATOM 836 C LYS A 57 3.950 11.428 -3.922 1.00 34.13 C ATOM 837 O LYS A 57 2.785 11.057 -4.054 1.00 53.34 O ATOM 838 CB LYS A 57 3.616 13.812 -4.583 1.00 12.30 C ATOM 839 CG LYS A 57 3.680 15.278 -4.181 1.00 14.23 C ATOM 840 CD LYS A 57 2.855 16.144 -5.117 1.00 5.01 C ATOM 841 CE LYS A 57 2.800 17.585 -4.641 1.00 11.41 C ATOM 842 NZ LYS A 57 1.872 18.399 -5.465 1.00 14.32 N ATOM 0 H LYS A 57 6.126 13.276 -4.454 1.00 64.53 H new ATOM 0 HA LYS A 57 3.879 13.089 -2.581 1.00 62.44 H new ATOM 0 HB2 LYS A 57 4.100 13.688 -5.552 1.00 12.30 H new ATOM 0 HB3 LYS A 57 2.572 13.524 -4.709 1.00 12.30 H new ATOM 0 HG2 LYS A 57 3.316 15.393 -3.160 1.00 14.23 H new ATOM 0 HG3 LYS A 57 4.717 15.615 -4.190 1.00 14.23 H new ATOM 0 HD2 LYS A 57 3.282 16.107 -6.119 1.00 5.01 H new ATOM 0 HD3 LYS A 57 1.843 15.744 -5.187 1.00 5.01 H new ATOM 0 HE2 LYS A 57 2.481 17.612 -3.599 1.00 11.41 H new ATOM 0 HE3 LYS A 57 3.799 18.020 -4.680 1.00 11.41 H new ATOM 0 HZ1 LYS A 57 2.192 19.389 -5.473 1.00 14.32 H new ATOM 0 HZ2 LYS A 57 1.859 18.032 -6.438 1.00 14.32 H new ATOM 0 HZ3 LYS A 57 0.914 18.348 -5.062 1.00 14.32 H new ATOM 856 N GLU A 58 4.987 10.613 -4.053 1.00 60.44 N ATOM 857 CA GLU A 58 4.811 9.223 -4.432 1.00 60.14 C ATOM 858 C GLU A 58 5.856 8.347 -3.763 1.00 11.33 C ATOM 859 O GLU A 58 6.975 8.789 -3.500 1.00 32.53 O ATOM 860 CB GLU A 58 4.923 9.063 -5.949 1.00 43.22 C ATOM 861 CG GLU A 58 6.288 9.452 -6.499 1.00 11.34 C ATOM 862 CD GLU A 58 6.478 9.049 -7.944 1.00 25.21 C ATOM 863 OE1 GLU A 58 6.846 7.880 -8.195 1.00 14.43 O ATOM 864 OE2 GLU A 58 6.276 9.904 -8.833 1.00 42.45 O ATOM 0 H GLU A 58 5.956 10.892 -3.902 1.00 60.44 H new ATOM 0 HA GLU A 58 3.819 8.912 -4.106 1.00 60.14 H new ATOM 0 HB2 GLU A 58 4.715 8.026 -6.214 1.00 43.22 H new ATOM 0 HB3 GLU A 58 4.159 9.674 -6.429 1.00 43.22 H new ATOM 0 HG2 GLU A 58 6.417 10.531 -6.408 1.00 11.34 H new ATOM 0 HG3 GLU A 58 7.065 8.986 -5.892 1.00 11.34 H new ATOM 871 N LEU A 59 5.478 7.114 -3.476 1.00 41.32 N ATOM 872 CA LEU A 59 6.426 6.111 -3.033 1.00 70.44 C ATOM 873 C LEU A 59 5.944 4.737 -3.442 1.00 53.44 C ATOM 874 O LEU A 59 4.776 4.387 -3.263 1.00 12.21 O ATOM 875 CB LEU A 59 6.680 6.168 -1.517 1.00 32.15 C ATOM 876 CG LEU A 59 5.551 5.672 -0.598 1.00 3.23 C ATOM 877 CD1 LEU A 59 6.013 5.668 0.847 1.00 74.41 C ATOM 878 CD2 LEU A 59 4.301 6.523 -0.727 1.00 33.10 C ATOM 0 H LEU A 59 4.515 6.783 -3.543 1.00 41.32 H new ATOM 0 HA LEU A 59 7.380 6.323 -3.517 1.00 70.44 H new ATOM 0 HB2 LEU A 59 7.573 5.582 -1.302 1.00 32.15 H new ATOM 0 HB3 LEU A 59 6.904 7.201 -1.250 1.00 32.15 H new ATOM 0 HG LEU A 59 5.303 4.657 -0.909 1.00 3.23 H new ATOM 0 HD11 LEU A 59 5.204 5.315 1.487 1.00 74.41 H new ATOM 0 HD12 LEU A 59 6.874 5.007 0.952 1.00 74.41 H new ATOM 0 HD13 LEU A 59 6.294 6.679 1.142 1.00 74.41 H new ATOM 0 HD21 LEU A 59 3.529 6.138 -0.061 1.00 33.10 H new ATOM 0 HD22 LEU A 59 4.533 7.553 -0.457 1.00 33.10 H new ATOM 0 HD23 LEU A 59 3.943 6.490 -1.756 1.00 33.10 H new ATOM 890 N THR A 60 6.842 3.975 -4.015 1.00 74.54 N ATOM 891 CA THR A 60 6.514 2.655 -4.501 1.00 1.44 C ATOM 892 C THR A 60 7.121 1.600 -3.586 1.00 60.20 C ATOM 893 O THR A 60 8.343 1.504 -3.457 1.00 12.23 O ATOM 894 CB THR A 60 7.015 2.461 -5.945 1.00 30.13 C ATOM 895 OG1 THR A 60 6.610 3.574 -6.756 1.00 3.25 O ATOM 896 CG2 THR A 60 6.459 1.180 -6.541 1.00 2.41 C ATOM 0 H THR A 60 7.814 4.248 -4.158 1.00 74.54 H new ATOM 0 HA THR A 60 5.429 2.546 -4.501 1.00 1.44 H new ATOM 0 HB THR A 60 8.103 2.397 -5.922 1.00 30.13 H new ATOM 0 HG1 THR A 60 6.933 3.446 -7.672 1.00 3.25 H new ATOM 0 HG21 THR A 60 6.826 1.064 -7.561 1.00 2.41 H new ATOM 0 HG22 THR A 60 6.781 0.329 -5.940 1.00 2.41 H new ATOM 0 HG23 THR A 60 5.370 1.226 -6.550 1.00 2.41 H new ATOM 904 N ALA A 61 6.261 0.835 -2.939 1.00 0.54 N ATOM 905 CA ALA A 61 6.690 -0.167 -1.986 1.00 5.01 C ATOM 906 C ALA A 61 6.211 -1.545 -2.409 1.00 50.11 C ATOM 907 O ALA A 61 5.034 -1.739 -2.704 1.00 73.31 O ATOM 908 CB ALA A 61 6.173 0.171 -0.594 1.00 34.41 C ATOM 0 H ALA A 61 5.250 0.892 -3.060 1.00 0.54 H new ATOM 0 HA ALA A 61 7.780 -0.175 -1.960 1.00 5.01 H new ATOM 0 HB1 ALA A 61 6.503 -0.591 0.112 1.00 34.41 H new ATOM 0 HB2 ALA A 61 6.561 1.142 -0.288 1.00 34.41 H new ATOM 0 HB3 ALA A 61 5.084 0.204 -0.609 1.00 34.41 H new ATOM 914 N ARG A 62 7.125 -2.496 -2.444 1.00 44.32 N ATOM 915 CA ARG A 62 6.783 -3.857 -2.833 1.00 0.32 C ATOM 916 C ARG A 62 6.793 -4.781 -1.629 1.00 61.24 C ATOM 917 O ARG A 62 7.822 -4.970 -0.984 1.00 34.23 O ATOM 918 CB ARG A 62 7.731 -4.374 -3.919 1.00 43.33 C ATOM 919 CG ARG A 62 9.202 -4.223 -3.579 1.00 21.35 C ATOM 920 CD ARG A 62 9.974 -3.696 -4.771 1.00 60.20 C ATOM 921 NE ARG A 62 9.347 -2.495 -5.310 1.00 74.11 N ATOM 922 CZ ARG A 62 9.844 -1.271 -5.194 1.00 23.34 C ATOM 923 NH1 ARG A 62 10.984 -1.065 -4.538 1.00 41.45 N ATOM 924 NH2 ARG A 62 9.194 -0.255 -5.729 1.00 54.41 N ATOM 0 H ARG A 62 8.108 -2.355 -2.209 1.00 44.32 H new ATOM 0 HA ARG A 62 5.774 -3.843 -3.245 1.00 0.32 H new ATOM 0 HB2 ARG A 62 7.517 -5.427 -4.102 1.00 43.33 H new ATOM 0 HB3 ARG A 62 7.527 -3.842 -4.848 1.00 43.33 H new ATOM 0 HG2 ARG A 62 9.318 -3.543 -2.735 1.00 21.35 H new ATOM 0 HG3 ARG A 62 9.610 -5.186 -3.271 1.00 21.35 H new ATOM 0 HD2 ARG A 62 10.999 -3.474 -4.475 1.00 60.20 H new ATOM 0 HD3 ARG A 62 10.024 -4.463 -5.544 1.00 60.20 H new ATOM 0 HE ARG A 62 8.465 -2.604 -5.811 1.00 74.11 H new ATOM 0 HH11 ARG A 62 11.481 -1.852 -4.120 1.00 41.45 H new ATOM 0 HH12 ARG A 62 11.360 -0.121 -4.453 1.00 41.45 H new ATOM 0 HH21 ARG A 62 8.318 -0.415 -6.226 1.00 54.41 H new ATOM 0 HH22 ARG A 62 9.568 0.690 -5.645 1.00 54.41 H new ATOM 938 N PHE A 63 5.636 -5.338 -1.329 1.00 42.22 N ATOM 939 CA PHE A 63 5.489 -6.223 -0.189 1.00 13.45 C ATOM 940 C PHE A 63 5.636 -7.676 -0.624 1.00 35.14 C ATOM 941 O PHE A 63 4.759 -8.228 -1.287 1.00 33.02 O ATOM 942 CB PHE A 63 4.129 -6.010 0.482 1.00 22.03 C ATOM 943 CG PHE A 63 3.906 -4.603 0.970 1.00 64.41 C ATOM 944 CD1 PHE A 63 4.316 -4.222 2.237 1.00 13.51 C ATOM 945 CD2 PHE A 63 3.284 -3.665 0.159 1.00 12.52 C ATOM 946 CE1 PHE A 63 4.111 -2.929 2.686 1.00 4.21 C ATOM 947 CE2 PHE A 63 3.078 -2.374 0.603 1.00 42.34 C ATOM 948 CZ PHE A 63 3.491 -2.004 1.868 1.00 45.22 C ATOM 0 H PHE A 63 4.779 -5.192 -1.862 1.00 42.22 H new ATOM 0 HA PHE A 63 6.274 -5.991 0.531 1.00 13.45 H new ATOM 0 HB2 PHE A 63 3.341 -6.269 -0.225 1.00 22.03 H new ATOM 0 HB3 PHE A 63 4.039 -6.696 1.325 1.00 22.03 H new ATOM 0 HD1 PHE A 63 4.800 -4.941 2.881 1.00 13.51 H new ATOM 0 HD2 PHE A 63 2.957 -3.948 -0.831 1.00 12.52 H new ATOM 0 HE1 PHE A 63 4.436 -2.643 3.676 1.00 4.21 H new ATOM 0 HE2 PHE A 63 2.594 -1.653 -0.039 1.00 42.34 H new ATOM 0 HZ PHE A 63 3.330 -0.995 2.217 1.00 45.22 H new ATOM 958 N LYS A 64 6.760 -8.275 -0.275 1.00 4.22 N ATOM 959 CA LYS A 64 7.000 -9.677 -0.551 1.00 22.10 C ATOM 960 C LYS A 64 6.589 -10.510 0.651 1.00 3.55 C ATOM 961 O LYS A 64 7.111 -10.335 1.752 1.00 73.21 O ATOM 962 CB LYS A 64 8.478 -9.912 -0.909 1.00 14.43 C ATOM 963 CG LYS A 64 8.893 -11.379 -0.914 1.00 1.32 C ATOM 964 CD LYS A 64 9.544 -11.775 0.403 1.00 64.44 C ATOM 965 CE LYS A 64 9.612 -13.285 0.573 1.00 25.11 C ATOM 966 NZ LYS A 64 10.289 -13.665 1.840 1.00 44.24 N ATOM 0 H LYS A 64 7.528 -7.805 0.205 1.00 4.22 H new ATOM 0 HA LYS A 64 6.400 -9.982 -1.408 1.00 22.10 H new ATOM 0 HB2 LYS A 64 8.674 -9.487 -1.893 1.00 14.43 H new ATOM 0 HB3 LYS A 64 9.103 -9.371 -0.198 1.00 14.43 H new ATOM 0 HG2 LYS A 64 8.019 -12.006 -1.093 1.00 1.32 H new ATOM 0 HG3 LYS A 64 9.588 -11.560 -1.734 1.00 1.32 H new ATOM 0 HD2 LYS A 64 10.550 -11.359 0.449 1.00 64.44 H new ATOM 0 HD3 LYS A 64 8.982 -11.342 1.230 1.00 64.44 H new ATOM 0 HE2 LYS A 64 8.604 -13.698 0.561 1.00 25.11 H new ATOM 0 HE3 LYS A 64 10.146 -13.723 -0.270 1.00 25.11 H new ATOM 0 HZ1 LYS A 64 9.680 -14.313 2.378 1.00 44.24 H new ATOM 0 HZ2 LYS A 64 11.191 -14.136 1.624 1.00 44.24 H new ATOM 0 HZ3 LYS A 64 10.471 -12.812 2.406 1.00 44.24 H new ATOM 980 N PHE A 65 5.643 -11.400 0.436 1.00 64.13 N ATOM 981 CA PHE A 65 5.137 -12.243 1.502 1.00 42.24 C ATOM 982 C PHE A 65 5.789 -13.616 1.443 1.00 65.13 C ATOM 983 O PHE A 65 6.522 -13.921 0.501 1.00 71.44 O ATOM 984 CB PHE A 65 3.618 -12.364 1.397 1.00 12.24 C ATOM 985 CG PHE A 65 2.912 -11.038 1.475 1.00 72.14 C ATOM 986 CD1 PHE A 65 2.522 -10.516 2.697 1.00 4.31 C ATOM 987 CD2 PHE A 65 2.647 -10.309 0.327 1.00 25.12 C ATOM 988 CE1 PHE A 65 1.881 -9.295 2.774 1.00 34.11 C ATOM 989 CE2 PHE A 65 2.005 -9.086 0.398 1.00 54.14 C ATOM 990 CZ PHE A 65 1.623 -8.580 1.623 1.00 14.14 C ATOM 0 H PHE A 65 5.206 -11.560 -0.472 1.00 64.13 H new ATOM 0 HA PHE A 65 5.384 -11.787 2.461 1.00 42.24 H new ATOM 0 HB2 PHE A 65 3.363 -12.850 0.455 1.00 12.24 H new ATOM 0 HB3 PHE A 65 3.255 -13.009 2.197 1.00 12.24 H new ATOM 0 HD1 PHE A 65 2.722 -11.071 3.602 1.00 4.31 H new ATOM 0 HD2 PHE A 65 2.945 -10.700 -0.634 1.00 25.12 H new ATOM 0 HE1 PHE A 65 1.582 -8.901 3.734 1.00 34.11 H new ATOM 0 HE2 PHE A 65 1.803 -8.528 -0.504 1.00 54.14 H new ATOM 0 HZ PHE A 65 1.122 -7.625 1.681 1.00 14.14 H new ATOM 1000 N GLU A 66 5.512 -14.443 2.439 1.00 54.21 N ATOM 1001 CA GLU A 66 6.117 -15.759 2.524 1.00 34.51 C ATOM 1002 C GLU A 66 5.383 -16.739 1.628 1.00 62.24 C ATOM 1003 O GLU A 66 5.993 -17.620 1.019 1.00 20.32 O ATOM 1004 CB GLU A 66 6.117 -16.249 3.970 1.00 52.42 C ATOM 1005 CG GLU A 66 7.302 -15.750 4.776 1.00 1.34 C ATOM 1006 CD GLU A 66 8.617 -16.268 4.231 1.00 72.55 C ATOM 1007 OE1 GLU A 66 8.896 -17.476 4.396 1.00 54.34 O ATOM 1008 OE2 GLU A 66 9.368 -15.483 3.617 1.00 22.41 O ATOM 0 H GLU A 66 4.870 -14.223 3.201 1.00 54.21 H new ATOM 0 HA GLU A 66 7.150 -15.690 2.182 1.00 34.51 H new ATOM 0 HB2 GLU A 66 5.196 -15.927 4.455 1.00 52.42 H new ATOM 0 HB3 GLU A 66 6.116 -17.339 3.976 1.00 52.42 H new ATOM 0 HG2 GLU A 66 7.311 -14.660 4.770 1.00 1.34 H new ATOM 0 HG3 GLU A 66 7.192 -16.062 5.814 1.00 1.34 H new ATOM 1015 N VAL A 67 4.072 -16.587 1.551 1.00 40.14 N ATOM 1016 CA VAL A 67 3.265 -17.407 0.666 1.00 61.31 C ATOM 1017 C VAL A 67 2.366 -16.524 -0.188 1.00 60.45 C ATOM 1018 O VAL A 67 2.046 -15.395 0.194 1.00 52.45 O ATOM 1019 CB VAL A 67 2.410 -18.446 1.432 1.00 1.41 C ATOM 1020 CG1 VAL A 67 3.297 -19.419 2.190 1.00 23.11 C ATOM 1021 CG2 VAL A 67 1.436 -17.772 2.382 1.00 45.31 C ATOM 0 H VAL A 67 3.544 -15.902 2.092 1.00 40.14 H new ATOM 0 HA VAL A 67 3.953 -17.963 0.029 1.00 61.31 H new ATOM 0 HB VAL A 67 1.831 -19.002 0.694 1.00 1.41 H new ATOM 0 HG11 VAL A 67 2.675 -20.140 2.721 1.00 23.11 H new ATOM 0 HG12 VAL A 67 3.944 -19.945 1.488 1.00 23.11 H new ATOM 0 HG13 VAL A 67 3.909 -18.871 2.906 1.00 23.11 H new ATOM 0 HG21 VAL A 67 0.852 -18.531 2.903 1.00 45.31 H new ATOM 0 HG22 VAL A 67 1.989 -17.177 3.109 1.00 45.31 H new ATOM 0 HG23 VAL A 67 0.766 -17.123 1.817 1.00 45.31 H new ATOM 1031 N SER A 68 1.959 -17.037 -1.339 1.00 34.13 N ATOM 1032 CA SER A 68 1.150 -16.275 -2.281 1.00 44.41 C ATOM 1033 C SER A 68 -0.226 -15.959 -1.693 1.00 32.03 C ATOM 1034 O SER A 68 -0.908 -15.028 -2.130 1.00 53.13 O ATOM 1035 CB SER A 68 1.008 -17.063 -3.581 1.00 31.11 C ATOM 1036 OG SER A 68 2.209 -17.757 -3.883 1.00 45.24 O ATOM 0 H SER A 68 2.177 -17.985 -1.646 1.00 34.13 H new ATOM 0 HA SER A 68 1.648 -15.327 -2.485 1.00 44.41 H new ATOM 0 HB2 SER A 68 0.185 -17.772 -3.494 1.00 31.11 H new ATOM 0 HB3 SER A 68 0.759 -16.385 -4.397 1.00 31.11 H new ATOM 0 HG SER A 68 2.622 -17.364 -4.680 1.00 45.24 H new ATOM 1042 N ALA A 69 -0.619 -16.738 -0.697 1.00 55.24 N ATOM 1043 CA ALA A 69 -1.885 -16.535 -0.004 1.00 74.14 C ATOM 1044 C ALA A 69 -1.877 -15.228 0.788 1.00 73.24 C ATOM 1045 O ALA A 69 -2.853 -14.481 0.771 1.00 32.13 O ATOM 1046 CB ALA A 69 -2.178 -17.712 0.918 1.00 73.10 C ATOM 0 H ALA A 69 -0.074 -17.525 -0.346 1.00 55.24 H new ATOM 0 HA ALA A 69 -2.674 -16.470 -0.754 1.00 74.14 H new ATOM 0 HB1 ALA A 69 -3.127 -17.547 1.429 1.00 73.10 H new ATOM 0 HB2 ALA A 69 -2.237 -18.628 0.331 1.00 73.10 H new ATOM 0 HB3 ALA A 69 -1.380 -17.804 1.655 1.00 73.10 H new ATOM 1052 N GLU A 70 -0.758 -14.946 1.458 1.00 34.21 N ATOM 1053 CA GLU A 70 -0.618 -13.733 2.260 1.00 4.12 C ATOM 1054 C GLU A 70 -0.740 -12.496 1.374 1.00 60.41 C ATOM 1055 O GLU A 70 -1.271 -11.467 1.791 1.00 51.32 O ATOM 1056 CB GLU A 70 0.733 -13.739 2.987 1.00 14.23 C ATOM 1057 CG GLU A 70 0.871 -14.849 4.018 1.00 4.14 C ATOM 1058 CD GLU A 70 2.247 -14.891 4.661 1.00 0.14 C ATOM 1059 OE1 GLU A 70 3.241 -14.562 3.980 1.00 3.42 O ATOM 1060 OE2 GLU A 70 2.340 -15.252 5.855 1.00 63.04 O ATOM 0 H GLU A 70 0.067 -15.546 1.460 1.00 34.21 H new ATOM 0 HA GLU A 70 -1.416 -13.706 3.002 1.00 4.12 H new ATOM 0 HB2 GLU A 70 1.531 -13.839 2.251 1.00 14.23 H new ATOM 0 HB3 GLU A 70 0.873 -12.778 3.481 1.00 14.23 H new ATOM 0 HG2 GLU A 70 0.117 -14.713 4.793 1.00 4.14 H new ATOM 0 HG3 GLU A 70 0.669 -15.808 3.541 1.00 4.14 H new ATOM 1067 N LYS A 71 -0.262 -12.623 0.145 1.00 15.34 N ATOM 1068 CA LYS A 71 -0.354 -11.557 -0.843 1.00 70.22 C ATOM 1069 C LYS A 71 -1.810 -11.184 -1.079 1.00 75.24 C ATOM 1070 O LYS A 71 -2.201 -10.023 -0.963 1.00 62.41 O ATOM 1071 CB LYS A 71 0.284 -12.028 -2.153 1.00 45.33 C ATOM 1072 CG LYS A 71 0.664 -10.907 -3.113 1.00 65.51 C ATOM 1073 CD LYS A 71 -0.537 -10.381 -3.885 1.00 41.23 C ATOM 1074 CE LYS A 71 -1.109 -11.430 -4.831 1.00 24.44 C ATOM 1075 NZ LYS A 71 -0.220 -11.668 -6.000 1.00 1.54 N ATOM 0 H LYS A 71 0.200 -13.466 -0.196 1.00 15.34 H new ATOM 0 HA LYS A 71 0.174 -10.677 -0.475 1.00 70.22 H new ATOM 0 HB2 LYS A 71 1.178 -12.607 -1.919 1.00 45.33 H new ATOM 0 HB3 LYS A 71 -0.409 -12.701 -2.658 1.00 45.33 H new ATOM 0 HG2 LYS A 71 1.120 -10.090 -2.553 1.00 65.51 H new ATOM 0 HG3 LYS A 71 1.414 -11.271 -3.815 1.00 65.51 H new ATOM 0 HD2 LYS A 71 -1.309 -10.065 -3.184 1.00 41.23 H new ATOM 0 HD3 LYS A 71 -0.244 -9.499 -4.455 1.00 41.23 H new ATOM 0 HE2 LYS A 71 -1.255 -12.365 -4.290 1.00 24.44 H new ATOM 0 HE3 LYS A 71 -2.090 -11.107 -5.181 1.00 24.44 H new ATOM 0 HZ1 LYS A 71 -0.620 -12.424 -6.592 1.00 1.54 H new ATOM 0 HZ2 LYS A 71 -0.141 -10.795 -6.560 1.00 1.54 H new ATOM 0 HZ3 LYS A 71 0.723 -11.952 -5.667 1.00 1.54 H new ATOM 1089 N LEU A 72 -2.598 -12.192 -1.409 1.00 34.52 N ATOM 1090 CA LEU A 72 -4.022 -12.010 -1.680 1.00 40.12 C ATOM 1091 C LEU A 72 -4.738 -11.375 -0.490 1.00 52.23 C ATOM 1092 O LEU A 72 -5.524 -10.446 -0.663 1.00 23.41 O ATOM 1093 CB LEU A 72 -4.682 -13.350 -2.012 1.00 5.32 C ATOM 1094 CG LEU A 72 -4.146 -14.063 -3.255 1.00 72.12 C ATOM 1095 CD1 LEU A 72 -4.853 -15.398 -3.443 1.00 72.55 C ATOM 1096 CD2 LEU A 72 -4.319 -13.191 -4.489 1.00 71.23 C ATOM 0 H LEU A 72 -2.276 -13.156 -1.498 1.00 34.52 H new ATOM 0 HA LEU A 72 -4.107 -11.341 -2.536 1.00 40.12 H new ATOM 0 HB2 LEU A 72 -4.565 -14.014 -1.156 1.00 5.32 H new ATOM 0 HB3 LEU A 72 -5.751 -13.185 -2.143 1.00 5.32 H new ATOM 0 HG LEU A 72 -3.081 -14.249 -3.115 1.00 72.12 H new ATOM 0 HD11 LEU A 72 -4.462 -15.895 -4.331 1.00 72.55 H new ATOM 0 HD12 LEU A 72 -4.681 -16.027 -2.570 1.00 72.55 H new ATOM 0 HD13 LEU A 72 -5.923 -15.229 -3.563 1.00 72.55 H new ATOM 0 HD21 LEU A 72 -3.932 -13.716 -5.362 1.00 71.23 H new ATOM 0 HD22 LEU A 72 -5.377 -12.974 -4.636 1.00 71.23 H new ATOM 0 HD23 LEU A 72 -3.772 -12.258 -4.355 1.00 71.23 H new ATOM 1108 N ILE A 73 -4.453 -11.871 0.711 1.00 55.35 N ATOM 1109 CA ILE A 73 -5.097 -11.371 1.923 1.00 12.54 C ATOM 1110 C ILE A 73 -4.812 -9.882 2.117 1.00 53.43 C ATOM 1111 O ILE A 73 -5.689 -9.119 2.530 1.00 33.45 O ATOM 1112 CB ILE A 73 -4.635 -12.157 3.170 1.00 41.21 C ATOM 1113 CG1 ILE A 73 -4.951 -13.646 3.006 1.00 73.42 C ATOM 1114 CG2 ILE A 73 -5.301 -11.609 4.424 1.00 44.35 C ATOM 1115 CD1 ILE A 73 -4.425 -14.511 4.133 1.00 50.11 C ATOM 0 H ILE A 73 -3.779 -12.620 0.871 1.00 55.35 H new ATOM 0 HA ILE A 73 -6.171 -11.514 1.802 1.00 12.54 H new ATOM 0 HB ILE A 73 -3.556 -12.038 3.273 1.00 41.21 H new ATOM 0 HG12 ILE A 73 -6.031 -13.773 2.937 1.00 73.42 H new ATOM 0 HG13 ILE A 73 -4.528 -13.996 2.064 1.00 73.42 H new ATOM 0 HG21 ILE A 73 -4.963 -12.175 5.292 1.00 44.35 H new ATOM 0 HG22 ILE A 73 -5.034 -10.560 4.549 1.00 44.35 H new ATOM 0 HG23 ILE A 73 -6.383 -11.699 4.330 1.00 44.35 H new ATOM 0 HD11 ILE A 73 -4.688 -15.552 3.946 1.00 50.11 H new ATOM 0 HD12 ILE A 73 -3.341 -14.415 4.190 1.00 50.11 H new ATOM 0 HD13 ILE A 73 -4.867 -14.189 5.076 1.00 50.11 H new ATOM 1127 N PHE A 74 -3.591 -9.470 1.803 1.00 54.14 N ATOM 1128 CA PHE A 74 -3.214 -8.067 1.883 1.00 30.10 C ATOM 1129 C PHE A 74 -4.003 -7.249 0.865 1.00 73.21 C ATOM 1130 O PHE A 74 -4.567 -6.206 1.200 1.00 42.15 O ATOM 1131 CB PHE A 74 -1.712 -7.906 1.647 1.00 63.42 C ATOM 1132 CG PHE A 74 -1.218 -6.492 1.781 1.00 64.54 C ATOM 1133 CD1 PHE A 74 -1.114 -5.895 3.028 1.00 45.45 C ATOM 1134 CD2 PHE A 74 -0.848 -5.763 0.661 1.00 73.42 C ATOM 1135 CE1 PHE A 74 -0.650 -4.599 3.156 1.00 73.22 C ATOM 1136 CE2 PHE A 74 -0.387 -4.466 0.782 1.00 31.42 C ATOM 1137 CZ PHE A 74 -0.286 -3.884 2.032 1.00 1.11 C ATOM 0 H PHE A 74 -2.844 -10.090 1.490 1.00 54.14 H new ATOM 0 HA PHE A 74 -3.449 -7.699 2.882 1.00 30.10 H new ATOM 0 HB2 PHE A 74 -1.174 -8.536 2.355 1.00 63.42 H new ATOM 0 HB3 PHE A 74 -1.471 -8.271 0.649 1.00 63.42 H new ATOM 0 HD1 PHE A 74 -1.399 -6.449 3.910 1.00 45.45 H new ATOM 0 HD2 PHE A 74 -0.921 -6.214 -0.317 1.00 73.42 H new ATOM 0 HE1 PHE A 74 -0.572 -4.146 4.134 1.00 73.22 H new ATOM 0 HE2 PHE A 74 -0.106 -3.908 -0.099 1.00 31.42 H new ATOM 0 HZ PHE A 74 0.077 -2.872 2.129 1.00 1.11 H new ATOM 1147 N GLU A 75 -4.062 -7.750 -0.368 1.00 45.20 N ATOM 1148 CA GLU A 75 -4.799 -7.086 -1.442 1.00 21.30 C ATOM 1149 C GLU A 75 -6.289 -6.992 -1.110 1.00 44.05 C ATOM 1150 O GLU A 75 -6.972 -6.057 -1.531 1.00 52.43 O ATOM 1151 CB GLU A 75 -4.611 -7.826 -2.769 1.00 13.13 C ATOM 1152 CG GLU A 75 -3.190 -7.797 -3.303 1.00 21.12 C ATOM 1153 CD GLU A 75 -3.094 -8.367 -4.706 1.00 62.54 C ATOM 1154 OE1 GLU A 75 -3.648 -9.460 -4.945 1.00 51.22 O ATOM 1155 OE2 GLU A 75 -2.458 -7.730 -5.576 1.00 41.43 O ATOM 0 H GLU A 75 -3.606 -8.618 -0.649 1.00 45.20 H new ATOM 0 HA GLU A 75 -4.399 -6.077 -1.540 1.00 21.30 H new ATOM 0 HB2 GLU A 75 -4.917 -8.864 -2.640 1.00 13.13 H new ATOM 0 HB3 GLU A 75 -5.276 -7.388 -3.514 1.00 13.13 H new ATOM 0 HG2 GLU A 75 -2.825 -6.770 -3.304 1.00 21.12 H new ATOM 0 HG3 GLU A 75 -2.541 -8.365 -2.636 1.00 21.12 H new ATOM 1162 N LEU A 76 -6.793 -7.967 -0.364 1.00 12.40 N ATOM 1163 CA LEU A 76 -8.171 -7.969 0.075 1.00 32.14 C ATOM 1164 C LEU A 76 -8.428 -6.829 1.054 1.00 53.25 C ATOM 1165 O LEU A 76 -9.455 -6.148 0.982 1.00 34.25 O ATOM 1166 CB LEU A 76 -8.480 -9.311 0.727 1.00 22.35 C ATOM 1167 CG LEU A 76 -8.581 -10.501 -0.231 1.00 74.44 C ATOM 1168 CD1 LEU A 76 -8.855 -11.784 0.537 1.00 1.41 C ATOM 1169 CD2 LEU A 76 -9.668 -10.258 -1.268 1.00 45.01 C ATOM 0 H LEU A 76 -6.254 -8.774 -0.050 1.00 12.40 H new ATOM 0 HA LEU A 76 -8.824 -7.821 -0.785 1.00 32.14 H new ATOM 0 HB2 LEU A 76 -7.705 -9.524 1.463 1.00 22.35 H new ATOM 0 HB3 LEU A 76 -9.421 -9.223 1.270 1.00 22.35 H new ATOM 0 HG LEU A 76 -7.628 -10.608 -0.748 1.00 74.44 H new ATOM 0 HD11 LEU A 76 -8.923 -12.618 -0.161 1.00 1.41 H new ATOM 0 HD12 LEU A 76 -8.044 -11.966 1.242 1.00 1.41 H new ATOM 0 HD13 LEU A 76 -9.794 -11.689 1.081 1.00 1.41 H new ATOM 0 HD21 LEU A 76 -9.727 -11.113 -1.941 1.00 45.01 H new ATOM 0 HD22 LEU A 76 -10.626 -10.125 -0.766 1.00 45.01 H new ATOM 0 HD23 LEU A 76 -9.431 -9.361 -1.841 1.00 45.01 H new ATOM 1181 N LYS A 77 -7.483 -6.615 1.958 1.00 62.10 N ATOM 1182 CA LYS A 77 -7.601 -5.556 2.950 1.00 53.33 C ATOM 1183 C LYS A 77 -7.437 -4.182 2.312 1.00 1.44 C ATOM 1184 O LYS A 77 -8.167 -3.245 2.646 1.00 40.10 O ATOM 1185 CB LYS A 77 -6.574 -5.747 4.068 1.00 11.52 C ATOM 1186 CG LYS A 77 -6.951 -6.835 5.059 1.00 41.30 C ATOM 1187 CD LYS A 77 -5.878 -7.024 6.116 1.00 54.12 C ATOM 1188 CE LYS A 77 -6.362 -7.903 7.259 1.00 13.52 C ATOM 1189 NZ LYS A 77 -6.777 -9.253 6.797 1.00 50.10 N ATOM 0 H LYS A 77 -6.625 -7.162 2.025 1.00 62.10 H new ATOM 0 HA LYS A 77 -8.601 -5.614 3.380 1.00 53.33 H new ATOM 0 HB2 LYS A 77 -5.608 -5.989 3.625 1.00 11.52 H new ATOM 0 HB3 LYS A 77 -6.452 -4.805 4.603 1.00 11.52 H new ATOM 0 HG2 LYS A 77 -7.895 -6.579 5.540 1.00 41.30 H new ATOM 0 HG3 LYS A 77 -7.108 -7.774 4.527 1.00 41.30 H new ATOM 0 HD2 LYS A 77 -4.994 -7.472 5.661 1.00 54.12 H new ATOM 0 HD3 LYS A 77 -5.577 -6.052 6.507 1.00 54.12 H new ATOM 0 HE2 LYS A 77 -5.568 -8.003 7.999 1.00 13.52 H new ATOM 0 HE3 LYS A 77 -7.202 -7.418 7.757 1.00 13.52 H new ATOM 0 HZ1 LYS A 77 -7.018 -9.842 7.619 1.00 50.10 H new ATOM 0 HZ2 LYS A 77 -7.607 -9.168 6.177 1.00 50.10 H new ATOM 0 HZ3 LYS A 77 -5.996 -9.695 6.271 1.00 50.10 H new ATOM 1203 N THR A 78 -6.498 -4.064 1.382 1.00 65.11 N ATOM 1204 CA THR A 78 -6.269 -2.799 0.702 1.00 0.01 C ATOM 1205 C THR A 78 -7.493 -2.387 -0.112 1.00 35.14 C ATOM 1206 O THR A 78 -7.815 -1.210 -0.193 1.00 1.35 O ATOM 1207 CB THR A 78 -5.028 -2.855 -0.209 1.00 13.02 C ATOM 1208 OG1 THR A 78 -5.064 -4.029 -1.025 1.00 54.15 O ATOM 1209 CG2 THR A 78 -3.750 -2.847 0.616 1.00 72.30 C ATOM 0 H THR A 78 -5.887 -4.824 1.084 1.00 65.11 H new ATOM 0 HA THR A 78 -6.088 -2.051 1.474 1.00 0.01 H new ATOM 0 HB THR A 78 -5.039 -1.972 -0.847 1.00 13.02 H new ATOM 0 HG1 THR A 78 -5.946 -4.450 -0.954 1.00 54.15 H new ATOM 0 HG21 THR A 78 -2.887 -2.887 -0.049 1.00 72.30 H new ATOM 0 HG22 THR A 78 -3.707 -1.935 1.211 1.00 72.30 H new ATOM 0 HG23 THR A 78 -3.739 -3.713 1.278 1.00 72.30 H new ATOM 1217 N ARG A 79 -8.183 -3.367 -0.691 1.00 71.43 N ATOM 1218 CA ARG A 79 -9.408 -3.118 -1.425 1.00 1.52 C ATOM 1219 C ARG A 79 -10.453 -2.423 -0.561 1.00 15.52 C ATOM 1220 O ARG A 79 -11.110 -1.480 -1.001 1.00 42.44 O ATOM 1221 CB ARG A 79 -9.966 -4.435 -1.943 1.00 24.45 C ATOM 1222 CG ARG A 79 -9.322 -4.900 -3.229 1.00 5.21 C ATOM 1223 CD ARG A 79 -9.957 -6.185 -3.736 1.00 41.20 C ATOM 1224 NE ARG A 79 -9.566 -6.479 -5.113 1.00 71.02 N ATOM 1225 CZ ARG A 79 -8.700 -7.429 -5.462 1.00 53.04 C ATOM 1226 NH1 ARG A 79 -8.129 -8.185 -4.531 1.00 72.03 N ATOM 1227 NH2 ARG A 79 -8.406 -7.612 -6.740 1.00 4.13 N ATOM 0 H ARG A 79 -7.906 -4.348 -0.662 1.00 71.43 H new ATOM 0 HA ARG A 79 -9.172 -2.457 -2.259 1.00 1.52 H new ATOM 0 HB2 ARG A 79 -9.831 -5.202 -1.181 1.00 24.45 H new ATOM 0 HB3 ARG A 79 -11.039 -4.328 -2.102 1.00 24.45 H new ATOM 0 HG2 ARG A 79 -9.417 -4.122 -3.987 1.00 5.21 H new ATOM 0 HG3 ARG A 79 -8.256 -5.059 -3.067 1.00 5.21 H new ATOM 0 HD2 ARG A 79 -9.665 -7.014 -3.091 1.00 41.20 H new ATOM 0 HD3 ARG A 79 -11.042 -6.102 -3.676 1.00 41.20 H new ATOM 0 HE ARG A 79 -9.984 -5.920 -5.856 1.00 71.02 H new ATOM 0 HH11 ARG A 79 -8.353 -8.039 -3.547 1.00 72.03 H new ATOM 0 HH12 ARG A 79 -7.466 -8.912 -4.800 1.00 72.03 H new ATOM 0 HH21 ARG A 79 -8.842 -7.027 -7.453 1.00 4.13 H new ATOM 0 HH22 ARG A 79 -7.743 -8.338 -7.012 1.00 4.13 H new ATOM 1241 N SER A 80 -10.611 -2.899 0.664 1.00 20.20 N ATOM 1242 CA SER A 80 -11.629 -2.388 1.553 1.00 22.02 C ATOM 1243 C SER A 80 -11.216 -1.082 2.231 1.00 1.12 C ATOM 1244 O SER A 80 -12.052 -0.208 2.465 1.00 20.12 O ATOM 1245 CB SER A 80 -11.958 -3.454 2.588 1.00 1.12 C ATOM 1246 OG SER A 80 -12.440 -4.631 1.960 1.00 22.25 O ATOM 0 H SER A 80 -10.040 -3.644 1.063 1.00 20.20 H new ATOM 0 HA SER A 80 -12.514 -2.155 0.960 1.00 22.02 H new ATOM 0 HB2 SER A 80 -11.068 -3.686 3.173 1.00 1.12 H new ATOM 0 HB3 SER A 80 -12.707 -3.074 3.283 1.00 1.12 H new ATOM 0 HG SER A 80 -12.644 -5.305 2.641 1.00 22.25 H new ATOM 1252 N LEU A 81 -9.936 -0.941 2.540 1.00 32.04 N ATOM 1253 CA LEU A 81 -9.448 0.253 3.195 1.00 4.00 C ATOM 1254 C LEU A 81 -9.260 1.375 2.180 1.00 11.22 C ATOM 1255 O LEU A 81 -9.581 2.535 2.441 1.00 12.53 O ATOM 1256 CB LEU A 81 -8.128 -0.051 3.904 1.00 4.41 C ATOM 1257 CG LEU A 81 -7.243 1.164 4.149 1.00 4.25 C ATOM 1258 CD1 LEU A 81 -7.870 2.099 5.175 1.00 11.21 C ATOM 1259 CD2 LEU A 81 -5.848 0.745 4.584 1.00 2.21 C ATOM 0 H LEU A 81 -9.220 -1.641 2.346 1.00 32.04 H new ATOM 0 HA LEU A 81 -10.181 0.578 3.934 1.00 4.00 H new ATOM 0 HB2 LEU A 81 -8.346 -0.524 4.862 1.00 4.41 H new ATOM 0 HB3 LEU A 81 -7.571 -0.776 3.310 1.00 4.41 H new ATOM 0 HG LEU A 81 -7.155 1.706 3.207 1.00 4.25 H new ATOM 0 HD11 LEU A 81 -7.217 2.958 5.331 1.00 11.21 H new ATOM 0 HD12 LEU A 81 -8.839 2.441 4.811 1.00 11.21 H new ATOM 0 HD13 LEU A 81 -8.003 1.568 6.118 1.00 11.21 H new ATOM 0 HD21 LEU A 81 -5.237 1.632 4.752 1.00 2.21 H new ATOM 0 HD22 LEU A 81 -5.912 0.169 5.507 1.00 2.21 H new ATOM 0 HD23 LEU A 81 -5.392 0.133 3.805 1.00 2.21 H new