USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 744 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 48 GLN : amide:sc= -2.97! K(o=-6!,f=0.73) USER MOD Set 1.2: A 70 GLN : amide:sc= -2.99! K(o=-6!,f=-0.3) USER MOD Set 2.1: A 20 LYS NZ :NH3+ 172:sc= 0.543 (180deg=0.447) USER MOD Set 2.2: A 76 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 77 ASN : amide:sc= -0.0574 K(o=0.49,f=-1.4) USER MOD Single : A 9 THR OG1 : rot -153:sc= 0.605 USER MOD Single : A 10 SER OG : rot 150:sc= -1.47 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -107:sc= 0.123 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00971) USER MOD Single : A 23 GLN : amide:sc= -0.378 X(o=-0.38,f=-0.84) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -41:sc= 0.411 USER MOD Single : A 36 LYS NZ :NH3+ -137:sc= -0.1 (180deg=-1.52!) USER MOD Single : A 37 GLN : amide:sc= -0.513 X(o=-0.51,f=-0.75) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.397 X(o=-0.4,f=-0.31) USER MOD Single : A 44 LYS NZ :NH3+ 169:sc= -0.0108 (180deg=-0.144) USER MOD Single : A 45 LYS NZ :NH3+ -175:sc= -0.569! (180deg=-0.71) USER MOD Single : A 49 LYS NZ :NH3+ -144:sc= 0.979 (180deg=0.31) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0213 USER MOD Single : A 58 LYS NZ :NH3+ 172:sc=-0.00589 (180deg=-0.0857) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 62 LYS NZ :NH3+ 166:sc= -0.0366 (180deg=-0.262) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.268 X(o=-0.27,f=0) USER MOD Single : A 68 ASN : amide:sc=-0.00832 X(o=-0.0083,f=-0.27) USER MOD Single : A 72 TYR OH : rot 180:sc= -0.743 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0141 USER MOD Single : A 82 GLN : amide:sc= -0.071 X(o=-0.071,f=-0.097) USER MOD Single : A 85 LYS NZ :NH3+ -145:sc= -0.403 (180deg=-2.05!) USER MOD ----------------------------------------------------------------- ATOM 27 N ARG A 3 3.030 10.077 -6.094 1.00 44.22 N ATOM 28 CA ARG A 3 2.033 9.028 -6.383 1.00 74.00 C ATOM 29 C ARG A 3 1.800 8.182 -5.112 1.00 70.13 C ATOM 30 O ARG A 3 2.757 7.875 -4.389 1.00 35.11 O ATOM 31 CB ARG A 3 2.522 8.151 -7.559 1.00 72.23 C ATOM 32 CG ARG A 3 1.536 7.050 -8.030 1.00 42.04 C ATOM 33 CD ARG A 3 0.185 7.608 -8.518 1.00 54.21 C ATOM 34 NE ARG A 3 -0.621 6.580 -9.200 1.00 1.10 N ATOM 35 CZ ARG A 3 -1.061 6.654 -10.473 1.00 13.31 C ATOM 36 NH1 ARG A 3 -0.784 7.711 -11.231 1.00 12.20 N ATOM 37 NH2 ARG A 3 -1.767 5.655 -10.979 1.00 0.12 N ATOM 0 HA ARG A 3 1.086 9.483 -6.674 1.00 74.00 H new ATOM 0 HB2 ARG A 3 2.744 8.801 -8.405 1.00 72.23 H new ATOM 0 HB3 ARG A 3 3.458 7.675 -7.269 1.00 72.23 H new ATOM 0 HG2 ARG A 3 1.998 6.479 -8.836 1.00 42.04 H new ATOM 0 HG3 ARG A 3 1.359 6.356 -7.209 1.00 42.04 H new ATOM 0 HD2 ARG A 3 -0.373 8.002 -7.669 1.00 54.21 H new ATOM 0 HD3 ARG A 3 0.361 8.441 -9.198 1.00 54.21 H new ATOM 0 HE ARG A 3 -0.866 5.746 -8.667 1.00 1.10 H new ATOM 0 HH11 ARG A 3 -0.232 8.480 -10.852 1.00 12.20 H new ATOM 0 HH12 ARG A 3 -1.124 7.753 -12.192 1.00 12.20 H new ATOM 0 HH21 ARG A 3 -1.975 4.836 -10.407 1.00 0.12 H new ATOM 0 HH22 ARG A 3 -2.103 5.704 -11.941 1.00 0.12 H new ATOM 51 N LEU A 4 0.529 7.845 -4.831 1.00 33.51 N ATOM 52 CA LEU A 4 0.149 6.960 -3.715 1.00 63.21 C ATOM 53 C LEU A 4 -0.397 5.630 -4.255 1.00 24.33 C ATOM 54 O LEU A 4 -1.203 5.614 -5.191 1.00 11.03 O ATOM 55 CB LEU A 4 -0.921 7.645 -2.834 1.00 33.22 C ATOM 56 CG LEU A 4 -1.409 6.856 -1.574 1.00 2.25 C ATOM 57 CD1 LEU A 4 -0.240 6.507 -0.636 1.00 34.44 C ATOM 58 CD2 LEU A 4 -2.501 7.635 -0.824 1.00 14.43 C ATOM 0 H LEU A 4 -0.267 8.180 -5.374 1.00 33.51 H new ATOM 0 HA LEU A 4 1.034 6.761 -3.111 1.00 63.21 H new ATOM 0 HB2 LEU A 4 -0.524 8.604 -2.501 1.00 33.22 H new ATOM 0 HB3 LEU A 4 -1.789 7.859 -3.458 1.00 33.22 H new ATOM 0 HG LEU A 4 -1.841 5.918 -1.923 1.00 2.25 H new ATOM 0 HD11 LEU A 4 -0.617 5.960 0.228 1.00 34.44 H new ATOM 0 HD12 LEU A 4 0.483 5.890 -1.169 1.00 34.44 H new ATOM 0 HD13 LEU A 4 0.244 7.424 -0.301 1.00 34.44 H new ATOM 0 HD21 LEU A 4 -2.822 7.064 0.047 1.00 14.43 H new ATOM 0 HD22 LEU A 4 -2.105 8.598 -0.501 1.00 14.43 H new ATOM 0 HD23 LEU A 4 -3.352 7.797 -1.486 1.00 14.43 H new ATOM 70 N VAL A 5 0.082 4.527 -3.660 1.00 71.50 N ATOM 71 CA VAL A 5 -0.501 3.186 -3.808 1.00 54.15 C ATOM 72 C VAL A 5 -0.743 2.627 -2.395 1.00 1.13 C ATOM 73 O VAL A 5 0.174 2.574 -1.572 1.00 34.25 O ATOM 74 CB VAL A 5 0.422 2.207 -4.634 1.00 31.52 C ATOM 75 CG1 VAL A 5 -0.111 0.747 -4.609 1.00 40.13 C ATOM 76 CG2 VAL A 5 0.570 2.693 -6.095 1.00 54.12 C ATOM 0 H VAL A 5 0.900 4.543 -3.051 1.00 71.50 H new ATOM 0 HA VAL A 5 -1.432 3.266 -4.368 1.00 54.15 H new ATOM 0 HB VAL A 5 1.402 2.213 -4.157 1.00 31.52 H new ATOM 0 HG11 VAL A 5 0.554 0.107 -5.189 1.00 40.13 H new ATOM 0 HG12 VAL A 5 -0.150 0.391 -3.579 1.00 40.13 H new ATOM 0 HG13 VAL A 5 -1.111 0.717 -5.041 1.00 40.13 H new ATOM 0 HG21 VAL A 5 1.210 2.003 -6.645 1.00 54.12 H new ATOM 0 HG22 VAL A 5 -0.412 2.732 -6.567 1.00 54.12 H new ATOM 0 HG23 VAL A 5 1.016 3.687 -6.104 1.00 54.12 H new ATOM 86 N VAL A 6 -1.995 2.254 -2.131 1.00 51.35 N ATOM 87 CA VAL A 6 -2.400 1.571 -0.896 1.00 62.30 C ATOM 88 C VAL A 6 -2.234 0.060 -1.108 1.00 34.53 C ATOM 89 O VAL A 6 -2.483 -0.437 -2.200 1.00 44.13 O ATOM 90 CB VAL A 6 -3.894 1.897 -0.518 1.00 24.12 C ATOM 91 CG1 VAL A 6 -4.303 1.241 0.828 1.00 72.33 C ATOM 92 CG2 VAL A 6 -4.126 3.425 -0.494 1.00 70.10 C ATOM 0 H VAL A 6 -2.769 2.418 -2.775 1.00 51.35 H new ATOM 0 HA VAL A 6 -1.773 1.918 -0.075 1.00 62.30 H new ATOM 0 HB VAL A 6 -4.535 1.467 -1.288 1.00 24.12 H new ATOM 0 HG11 VAL A 6 -5.340 1.489 1.054 1.00 72.33 H new ATOM 0 HG12 VAL A 6 -4.197 0.159 0.752 1.00 72.33 H new ATOM 0 HG13 VAL A 6 -3.659 1.614 1.625 1.00 72.33 H new ATOM 0 HG21 VAL A 6 -5.163 3.631 -0.231 1.00 70.10 H new ATOM 0 HG22 VAL A 6 -3.467 3.882 0.244 1.00 70.10 H new ATOM 0 HG23 VAL A 6 -3.912 3.841 -1.478 1.00 70.10 H new ATOM 102 N VAL A 7 -1.782 -0.646 -0.073 1.00 4.50 N ATOM 103 CA VAL A 7 -1.651 -2.109 -0.066 1.00 75.13 C ATOM 104 C VAL A 7 -2.429 -2.644 1.141 1.00 33.31 C ATOM 105 O VAL A 7 -2.316 -2.103 2.232 1.00 13.02 O ATOM 106 CB VAL A 7 -0.144 -2.558 0.020 1.00 74.12 C ATOM 107 CG1 VAL A 7 0.001 -4.095 0.103 1.00 24.14 C ATOM 108 CG2 VAL A 7 0.682 -1.997 -1.166 1.00 73.24 C ATOM 0 H VAL A 7 -1.490 -0.212 0.803 1.00 4.50 H new ATOM 0 HA VAL A 7 -2.051 -2.511 -0.997 1.00 75.13 H new ATOM 0 HB VAL A 7 0.255 -2.139 0.944 1.00 74.12 H new ATOM 0 HG11 VAL A 7 1.057 -4.358 0.161 1.00 24.14 H new ATOM 0 HG12 VAL A 7 -0.513 -4.462 0.991 1.00 24.14 H new ATOM 0 HG13 VAL A 7 -0.438 -4.550 -0.784 1.00 24.14 H new ATOM 0 HG21 VAL A 7 1.717 -2.326 -1.076 1.00 73.24 H new ATOM 0 HG22 VAL A 7 0.266 -2.363 -2.105 1.00 73.24 H new ATOM 0 HG23 VAL A 7 0.645 -0.908 -1.152 1.00 73.24 H new ATOM 118 N VAL A 8 -3.228 -3.684 0.920 1.00 5.32 N ATOM 119 CA VAL A 8 -4.049 -4.337 1.949 1.00 21.44 C ATOM 120 C VAL A 8 -3.773 -5.841 1.905 1.00 11.30 C ATOM 121 O VAL A 8 -3.293 -6.364 0.897 1.00 74.45 O ATOM 122 CB VAL A 8 -5.584 -4.076 1.716 1.00 64.12 C ATOM 123 CG1 VAL A 8 -5.940 -2.578 1.887 1.00 53.31 C ATOM 124 CG2 VAL A 8 -6.016 -4.597 0.326 1.00 44.31 C ATOM 0 H VAL A 8 -3.329 -4.111 -0.001 1.00 5.32 H new ATOM 0 HA VAL A 8 -3.787 -3.923 2.923 1.00 21.44 H new ATOM 0 HB VAL A 8 -6.137 -4.627 2.477 1.00 64.12 H new ATOM 0 HG11 VAL A 8 -7.008 -2.436 1.719 1.00 53.31 H new ATOM 0 HG12 VAL A 8 -5.686 -2.257 2.897 1.00 53.31 H new ATOM 0 HG13 VAL A 8 -5.377 -1.986 1.166 1.00 53.31 H new ATOM 0 HG21 VAL A 8 -7.080 -4.409 0.181 1.00 44.31 H new ATOM 0 HG22 VAL A 8 -5.448 -4.082 -0.448 1.00 44.31 H new ATOM 0 HG23 VAL A 8 -5.826 -5.668 0.264 1.00 44.31 H new ATOM 134 N THR A 9 -4.051 -6.525 3.009 1.00 11.44 N ATOM 135 CA THR A 9 -3.922 -7.988 3.095 1.00 52.02 C ATOM 136 C THR A 9 -5.296 -8.688 3.139 1.00 34.30 C ATOM 137 O THR A 9 -5.362 -9.924 3.183 1.00 11.41 O ATOM 138 CB THR A 9 -3.061 -8.364 4.345 1.00 24.10 C ATOM 139 OG1 THR A 9 -3.513 -7.605 5.482 1.00 54.25 O ATOM 140 CG2 THR A 9 -1.555 -8.107 4.108 1.00 14.24 C ATOM 0 H THR A 9 -4.372 -6.088 3.873 1.00 11.44 H new ATOM 0 HA THR A 9 -3.421 -8.340 2.193 1.00 52.02 H new ATOM 0 HB THR A 9 -3.186 -9.431 4.531 1.00 24.10 H new ATOM 0 HG1 THR A 9 -2.774 -7.494 6.116 1.00 54.25 H new ATOM 0 HG21 THR A 9 -0.994 -8.382 5.001 1.00 14.24 H new ATOM 0 HG22 THR A 9 -1.212 -8.707 3.265 1.00 14.24 H new ATOM 0 HG23 THR A 9 -1.396 -7.051 3.890 1.00 14.24 H new ATOM 148 N SER A 10 -6.395 -7.906 3.077 1.00 44.32 N ATOM 149 CA SER A 10 -7.765 -8.439 3.215 1.00 40.01 C ATOM 150 C SER A 10 -8.727 -7.775 2.216 1.00 50.33 C ATOM 151 O SER A 10 -8.592 -6.583 1.920 1.00 32.34 O ATOM 152 CB SER A 10 -8.260 -8.214 4.657 1.00 51.43 C ATOM 153 OG SER A 10 -9.566 -8.721 4.832 1.00 2.34 O ATOM 0 H SER A 10 -6.358 -6.897 2.931 1.00 44.32 H new ATOM 0 HA SER A 10 -7.743 -9.507 2.996 1.00 40.01 H new ATOM 0 HB2 SER A 10 -7.581 -8.700 5.358 1.00 51.43 H new ATOM 0 HB3 SER A 10 -8.246 -7.149 4.887 1.00 51.43 H new ATOM 0 HG SER A 10 -9.682 -9.013 5.760 1.00 2.34 H new ATOM 159 N GLU A 11 -9.692 -8.575 1.714 1.00 41.13 N ATOM 160 CA GLU A 11 -10.774 -8.126 0.807 1.00 41.30 C ATOM 161 C GLU A 11 -11.684 -7.066 1.451 1.00 40.31 C ATOM 162 O GLU A 11 -12.157 -6.161 0.756 1.00 63.03 O ATOM 163 CB GLU A 11 -11.623 -9.350 0.347 1.00 35.11 C ATOM 164 CG GLU A 11 -10.940 -10.244 -0.709 1.00 4.13 C ATOM 165 CD GLU A 11 -10.804 -9.553 -2.082 1.00 3.23 C ATOM 166 OE1 GLU A 11 -11.830 -9.377 -2.776 1.00 31.34 O ATOM 167 OE2 GLU A 11 -9.690 -9.157 -2.468 1.00 10.02 O ATOM 0 H GLU A 11 -9.743 -9.570 1.931 1.00 41.13 H new ATOM 0 HA GLU A 11 -10.299 -7.658 -0.055 1.00 41.30 H new ATOM 0 HB2 GLU A 11 -11.862 -9.958 1.219 1.00 35.11 H new ATOM 0 HB3 GLU A 11 -12.568 -8.988 -0.058 1.00 35.11 H new ATOM 0 HG2 GLU A 11 -9.951 -10.529 -0.352 1.00 4.13 H new ATOM 0 HG3 GLU A 11 -11.514 -11.163 -0.826 1.00 4.13 H new ATOM 174 N GLN A 12 -11.937 -7.187 2.770 1.00 10.22 N ATOM 175 CA GLN A 12 -12.805 -6.238 3.487 1.00 61.11 C ATOM 176 C GLN A 12 -12.122 -4.860 3.598 1.00 2.34 C ATOM 177 O GLN A 12 -12.783 -3.836 3.493 1.00 31.52 O ATOM 178 CB GLN A 12 -13.208 -6.777 4.883 1.00 24.14 C ATOM 179 CG GLN A 12 -12.055 -6.949 5.888 1.00 41.31 C ATOM 180 CD GLN A 12 -12.521 -7.480 7.238 1.00 65.33 C ATOM 181 OE1 GLN A 12 -12.544 -8.685 7.476 1.00 42.14 O ATOM 182 NE2 GLN A 12 -12.917 -6.586 8.125 1.00 21.13 N ATOM 0 H GLN A 12 -11.554 -7.929 3.355 1.00 10.22 H new ATOM 0 HA GLN A 12 -13.722 -6.121 2.910 1.00 61.11 H new ATOM 0 HB2 GLN A 12 -13.945 -6.100 5.315 1.00 24.14 H new ATOM 0 HB3 GLN A 12 -13.699 -7.741 4.752 1.00 24.14 H new ATOM 0 HG2 GLN A 12 -11.314 -7.631 5.471 1.00 41.31 H new ATOM 0 HG3 GLN A 12 -11.559 -5.989 6.032 1.00 41.31 H new ATOM 0 HE21 GLN A 12 -12.886 -5.592 7.897 1.00 21.13 H new ATOM 0 HE22 GLN A 12 -13.254 -6.889 9.039 1.00 21.13 H new ATOM 191 N LEU A 13 -10.784 -4.863 3.793 1.00 13.23 N ATOM 192 CA LEU A 13 -9.964 -3.635 3.825 1.00 12.32 C ATOM 193 C LEU A 13 -9.838 -3.034 2.409 1.00 61.30 C ATOM 194 O LEU A 13 -9.814 -1.819 2.244 1.00 14.05 O ATOM 195 CB LEU A 13 -8.556 -3.946 4.399 1.00 20.35 C ATOM 196 CG LEU A 13 -8.506 -4.398 5.891 1.00 14.44 C ATOM 197 CD1 LEU A 13 -7.089 -4.873 6.284 1.00 12.41 C ATOM 198 CD2 LEU A 13 -8.998 -3.270 6.828 1.00 21.33 C ATOM 0 H LEU A 13 -10.244 -5.717 3.932 1.00 13.23 H new ATOM 0 HA LEU A 13 -10.456 -2.907 4.470 1.00 12.32 H new ATOM 0 HB2 LEU A 13 -8.102 -4.727 3.789 1.00 20.35 H new ATOM 0 HB3 LEU A 13 -7.937 -3.056 4.290 1.00 20.35 H new ATOM 0 HG LEU A 13 -9.181 -5.246 6.006 1.00 14.44 H new ATOM 0 HD11 LEU A 13 -7.086 -5.182 7.329 1.00 12.41 H new ATOM 0 HD12 LEU A 13 -6.801 -5.716 5.656 1.00 12.41 H new ATOM 0 HD13 LEU A 13 -6.380 -4.057 6.144 1.00 12.41 H new ATOM 0 HD21 LEU A 13 -8.953 -3.611 7.862 1.00 21.33 H new ATOM 0 HD22 LEU A 13 -8.362 -2.393 6.707 1.00 21.33 H new ATOM 0 HD23 LEU A 13 -10.026 -3.010 6.576 1.00 21.33 H new ATOM 210 N LYS A 14 -9.765 -3.922 1.404 1.00 14.33 N ATOM 211 CA LYS A 14 -9.615 -3.553 -0.018 1.00 2.43 C ATOM 212 C LYS A 14 -10.818 -2.743 -0.508 1.00 70.42 C ATOM 213 O LYS A 14 -10.672 -1.590 -0.934 1.00 61.13 O ATOM 214 CB LYS A 14 -9.442 -4.854 -0.839 1.00 13.33 C ATOM 215 CG LYS A 14 -9.261 -4.693 -2.364 1.00 52.03 C ATOM 216 CD LYS A 14 -9.058 -6.077 -3.030 1.00 15.23 C ATOM 217 CE LYS A 14 -9.122 -6.054 -4.559 1.00 22.41 C ATOM 218 NZ LYS A 14 -9.119 -7.430 -5.134 1.00 34.25 N ATOM 0 H LYS A 14 -9.809 -4.930 1.556 1.00 14.33 H new ATOM 0 HA LYS A 14 -8.738 -2.918 -0.145 1.00 2.43 H new ATOM 0 HB2 LYS A 14 -8.577 -5.390 -0.448 1.00 13.33 H new ATOM 0 HB3 LYS A 14 -10.314 -5.485 -0.665 1.00 13.33 H new ATOM 0 HG2 LYS A 14 -10.135 -4.201 -2.791 1.00 52.03 H new ATOM 0 HG3 LYS A 14 -8.403 -4.053 -2.570 1.00 52.03 H new ATOM 0 HD2 LYS A 14 -8.091 -6.476 -2.724 1.00 15.23 H new ATOM 0 HD3 LYS A 14 -9.819 -6.762 -2.656 1.00 15.23 H new ATOM 0 HE2 LYS A 14 -10.023 -5.529 -4.877 1.00 22.41 H new ATOM 0 HE3 LYS A 14 -8.272 -5.495 -4.950 1.00 22.41 H new ATOM 0 HZ1 LYS A 14 -8.195 -7.622 -5.571 1.00 34.25 H new ATOM 0 HZ2 LYS A 14 -9.295 -8.122 -4.378 1.00 34.25 H new ATOM 0 HZ3 LYS A 14 -9.865 -7.507 -5.854 1.00 34.25 H new ATOM 232 N GLU A 15 -12.008 -3.356 -0.393 1.00 31.35 N ATOM 233 CA GLU A 15 -13.272 -2.747 -0.813 1.00 11.14 C ATOM 234 C GLU A 15 -13.588 -1.480 0.015 1.00 44.51 C ATOM 235 O GLU A 15 -14.220 -0.553 -0.489 1.00 23.54 O ATOM 236 CB GLU A 15 -14.432 -3.772 -0.705 1.00 12.44 C ATOM 237 CG GLU A 15 -14.807 -4.183 0.739 1.00 51.01 C ATOM 238 CD GLU A 15 -16.089 -5.028 0.829 1.00 42.30 C ATOM 239 OE1 GLU A 15 -17.182 -4.489 0.556 1.00 21.11 O ATOM 240 OE2 GLU A 15 -16.015 -6.222 1.182 1.00 60.04 O ATOM 0 H GLU A 15 -12.116 -4.293 -0.004 1.00 31.35 H new ATOM 0 HA GLU A 15 -13.168 -2.447 -1.856 1.00 11.14 H new ATOM 0 HB2 GLU A 15 -15.314 -3.352 -1.188 1.00 12.44 H new ATOM 0 HB3 GLU A 15 -14.159 -4.668 -1.263 1.00 12.44 H new ATOM 0 HG2 GLU A 15 -13.981 -4.746 1.173 1.00 51.01 H new ATOM 0 HG3 GLU A 15 -14.932 -3.284 1.342 1.00 51.01 H new ATOM 247 N GLU A 16 -13.131 -1.469 1.291 1.00 52.31 N ATOM 248 CA GLU A 16 -13.346 -0.355 2.227 1.00 22.22 C ATOM 249 C GLU A 16 -12.580 0.894 1.770 1.00 22.13 C ATOM 250 O GLU A 16 -13.197 1.921 1.518 1.00 72.41 O ATOM 251 CB GLU A 16 -12.915 -0.775 3.657 1.00 43.54 C ATOM 252 CG GLU A 16 -13.085 0.314 4.731 1.00 23.43 C ATOM 253 CD GLU A 16 -12.687 -0.178 6.130 1.00 41.03 C ATOM 254 OE1 GLU A 16 -11.497 -0.116 6.484 1.00 63.42 O ATOM 255 OE2 GLU A 16 -13.563 -0.657 6.872 1.00 12.02 O ATOM 0 H GLU A 16 -12.601 -2.241 1.695 1.00 52.31 H new ATOM 0 HA GLU A 16 -14.408 -0.108 2.241 1.00 22.22 H new ATOM 0 HB2 GLU A 16 -13.494 -1.650 3.953 1.00 43.54 H new ATOM 0 HB3 GLU A 16 -11.869 -1.079 3.631 1.00 43.54 H new ATOM 0 HG2 GLU A 16 -12.478 1.180 4.467 1.00 23.43 H new ATOM 0 HG3 GLU A 16 -14.123 0.646 4.747 1.00 23.43 H new ATOM 262 N VAL A 17 -11.240 0.774 1.644 1.00 21.44 N ATOM 263 CA VAL A 17 -10.361 1.880 1.215 1.00 34.42 C ATOM 264 C VAL A 17 -10.787 2.430 -0.167 1.00 74.31 C ATOM 265 O VAL A 17 -10.726 3.642 -0.397 1.00 11.11 O ATOM 266 CB VAL A 17 -8.843 1.443 1.197 1.00 53.32 C ATOM 267 CG1 VAL A 17 -7.936 2.583 0.674 1.00 34.10 C ATOM 268 CG2 VAL A 17 -8.379 0.990 2.607 1.00 22.34 C ATOM 0 H VAL A 17 -10.739 -0.093 1.837 1.00 21.44 H new ATOM 0 HA VAL A 17 -10.469 2.680 1.948 1.00 34.42 H new ATOM 0 HB VAL A 17 -8.754 0.598 0.515 1.00 53.32 H new ATOM 0 HG11 VAL A 17 -6.898 2.251 0.674 1.00 34.10 H new ATOM 0 HG12 VAL A 17 -8.233 2.847 -0.341 1.00 34.10 H new ATOM 0 HG13 VAL A 17 -8.038 3.455 1.320 1.00 34.10 H new ATOM 0 HG21 VAL A 17 -7.331 0.694 2.567 1.00 22.34 H new ATOM 0 HG22 VAL A 17 -8.497 1.814 3.311 1.00 22.34 H new ATOM 0 HG23 VAL A 17 -8.983 0.143 2.934 1.00 22.34 H new ATOM 278 N ARG A 18 -11.232 1.532 -1.074 1.00 13.05 N ATOM 279 CA ARG A 18 -11.750 1.937 -2.396 1.00 3.20 C ATOM 280 C ARG A 18 -13.116 2.641 -2.292 1.00 42.35 C ATOM 281 O ARG A 18 -13.435 3.481 -3.128 1.00 4.32 O ATOM 282 CB ARG A 18 -11.856 0.737 -3.370 1.00 51.44 C ATOM 283 CG ARG A 18 -10.510 0.079 -3.704 1.00 24.40 C ATOM 284 CD ARG A 18 -10.599 -0.936 -4.848 1.00 72.12 C ATOM 285 NE ARG A 18 -11.539 -2.038 -4.569 1.00 31.31 N ATOM 286 CZ ARG A 18 -11.668 -3.139 -5.327 1.00 52.30 C ATOM 287 NH1 ARG A 18 -10.917 -3.311 -6.414 1.00 63.32 N ATOM 288 NH2 ARG A 18 -12.547 -4.068 -4.993 1.00 41.32 N ATOM 0 H ARG A 18 -11.242 0.525 -0.913 1.00 13.05 H new ATOM 0 HA ARG A 18 -11.026 2.646 -2.796 1.00 3.20 H new ATOM 0 HB2 ARG A 18 -12.517 -0.013 -2.935 1.00 51.44 H new ATOM 0 HB3 ARG A 18 -12.323 1.074 -4.295 1.00 51.44 H new ATOM 0 HG2 ARG A 18 -9.791 0.854 -3.970 1.00 24.40 H new ATOM 0 HG3 ARG A 18 -10.127 -0.420 -2.814 1.00 24.40 H new ATOM 0 HD2 ARG A 18 -10.909 -0.423 -5.758 1.00 72.12 H new ATOM 0 HD3 ARG A 18 -9.608 -1.350 -5.037 1.00 72.12 H new ATOM 0 HE ARG A 18 -12.132 -1.958 -3.743 1.00 31.31 H new ATOM 0 HH11 ARG A 18 -10.234 -2.602 -6.679 1.00 63.32 H new ATOM 0 HH12 ARG A 18 -11.025 -4.152 -6.981 1.00 63.32 H new ATOM 0 HH21 ARG A 18 -13.125 -3.948 -4.161 1.00 41.32 H new ATOM 0 HH22 ARG A 18 -12.647 -4.905 -5.567 1.00 41.32 H new ATOM 302 N LYS A 19 -13.938 2.279 -1.292 1.00 65.25 N ATOM 303 CA LYS A 19 -15.261 2.920 -1.083 1.00 12.33 C ATOM 304 C LYS A 19 -15.081 4.337 -0.504 1.00 64.54 C ATOM 305 O LYS A 19 -15.832 5.266 -0.842 1.00 3.24 O ATOM 306 CB LYS A 19 -16.150 2.052 -0.147 1.00 65.54 C ATOM 307 CG LYS A 19 -17.610 2.552 0.026 1.00 33.31 C ATOM 308 CD LYS A 19 -18.400 2.651 -1.305 1.00 44.04 C ATOM 309 CE LYS A 19 -18.534 1.303 -2.042 1.00 41.14 C ATOM 310 NZ LYS A 19 -19.268 0.290 -1.233 1.00 70.30 N ATOM 0 H LYS A 19 -13.717 1.549 -0.615 1.00 65.25 H new ATOM 0 HA LYS A 19 -15.764 3.001 -2.047 1.00 12.33 H new ATOM 0 HB2 LYS A 19 -16.175 1.034 -0.537 1.00 65.54 H new ATOM 0 HB3 LYS A 19 -15.680 2.006 0.835 1.00 65.54 H new ATOM 0 HG2 LYS A 19 -18.137 1.878 0.701 1.00 33.31 H new ATOM 0 HG3 LYS A 19 -17.594 3.532 0.502 1.00 33.31 H new ATOM 0 HD2 LYS A 19 -19.396 3.044 -1.099 1.00 44.04 H new ATOM 0 HD3 LYS A 19 -17.904 3.367 -1.960 1.00 44.04 H new ATOM 0 HE2 LYS A 19 -19.055 1.458 -2.987 1.00 41.14 H new ATOM 0 HE3 LYS A 19 -17.541 0.923 -2.284 1.00 41.14 H new ATOM 0 HZ1 LYS A 19 -19.378 -0.583 -1.787 1.00 70.30 H new ATOM 0 HZ2 LYS A 19 -18.732 0.084 -0.366 1.00 70.30 H new ATOM 0 HZ3 LYS A 19 -20.206 0.661 -0.981 1.00 70.30 H new ATOM 324 N LYS A 20 -14.069 4.480 0.365 1.00 73.41 N ATOM 325 CA LYS A 20 -13.695 5.762 0.976 1.00 33.44 C ATOM 326 C LYS A 20 -13.090 6.680 -0.091 1.00 4.50 C ATOM 327 O LYS A 20 -13.469 7.847 -0.228 1.00 53.04 O ATOM 328 CB LYS A 20 -12.669 5.534 2.111 1.00 45.04 C ATOM 329 CG LYS A 20 -13.141 4.584 3.231 1.00 10.30 C ATOM 330 CD LYS A 20 -12.057 4.344 4.304 1.00 70.15 C ATOM 331 CE LYS A 20 -11.687 5.623 5.068 1.00 30.32 C ATOM 332 NZ LYS A 20 -12.884 6.291 5.651 1.00 74.54 N ATOM 0 H LYS A 20 -13.483 3.701 0.665 1.00 73.41 H new ATOM 0 HA LYS A 20 -14.586 6.229 1.396 1.00 33.44 H new ATOM 0 HB2 LYS A 20 -11.752 5.134 1.678 1.00 45.04 H new ATOM 0 HB3 LYS A 20 -12.418 6.498 2.554 1.00 45.04 H new ATOM 0 HG2 LYS A 20 -14.030 5.001 3.705 1.00 10.30 H new ATOM 0 HG3 LYS A 20 -13.431 3.629 2.793 1.00 10.30 H new ATOM 0 HD2 LYS A 20 -12.411 3.593 5.010 1.00 70.15 H new ATOM 0 HD3 LYS A 20 -11.164 3.939 3.828 1.00 70.15 H new ATOM 0 HE2 LYS A 20 -10.984 5.379 5.865 1.00 30.32 H new ATOM 0 HE3 LYS A 20 -11.179 6.313 4.395 1.00 30.32 H new ATOM 0 HZ1 LYS A 20 -12.580 7.070 6.269 1.00 74.54 H new ATOM 0 HZ2 LYS A 20 -13.479 6.668 4.885 1.00 74.54 H new ATOM 0 HZ3 LYS A 20 -13.430 5.602 6.206 1.00 74.54 H new ATOM 346 N PHE A 21 -12.139 6.102 -0.857 1.00 35.55 N ATOM 347 CA PHE A 21 -11.371 6.810 -1.892 1.00 41.43 C ATOM 348 C PHE A 21 -11.266 5.919 -3.149 1.00 22.30 C ATOM 349 O PHE A 21 -10.334 5.110 -3.259 1.00 12.23 O ATOM 350 CB PHE A 21 -9.946 7.186 -1.379 1.00 11.51 C ATOM 351 CG PHE A 21 -9.910 7.781 0.025 1.00 52.24 C ATOM 352 CD1 PHE A 21 -10.248 9.117 0.254 1.00 44.15 C ATOM 353 CD2 PHE A 21 -9.556 6.994 1.117 1.00 60.12 C ATOM 354 CE1 PHE A 21 -10.217 9.639 1.536 1.00 13.25 C ATOM 355 CE2 PHE A 21 -9.530 7.520 2.388 1.00 22.32 C ATOM 356 CZ PHE A 21 -9.862 8.830 2.599 1.00 13.03 C ATOM 0 H PHE A 21 -11.884 5.118 -0.769 1.00 35.55 H new ATOM 0 HA PHE A 21 -11.891 7.736 -2.140 1.00 41.43 H new ATOM 0 HB2 PHE A 21 -9.321 6.293 -1.396 1.00 11.51 H new ATOM 0 HB3 PHE A 21 -9.502 7.900 -2.073 1.00 11.51 H new ATOM 0 HD1 PHE A 21 -10.535 9.747 -0.575 1.00 44.15 H new ATOM 0 HD2 PHE A 21 -9.298 5.956 0.965 1.00 60.12 H new ATOM 0 HE1 PHE A 21 -10.469 10.675 1.705 1.00 13.25 H new ATOM 0 HE2 PHE A 21 -9.246 6.896 3.223 1.00 22.32 H new ATOM 0 HZ PHE A 21 -9.847 9.234 3.600 1.00 13.03 H new ATOM 366 N PRO A 22 -12.252 6.010 -4.101 1.00 1.22 N ATOM 367 CA PRO A 22 -12.155 5.328 -5.430 1.00 32.23 C ATOM 368 C PRO A 22 -11.006 5.887 -6.307 1.00 2.32 C ATOM 369 O PRO A 22 -10.614 5.277 -7.307 1.00 3.24 O ATOM 370 CB PRO A 22 -13.543 5.599 -6.082 1.00 55.11 C ATOM 371 CG PRO A 22 -14.446 6.009 -4.945 1.00 70.42 C ATOM 372 CD PRO A 22 -13.554 6.722 -3.949 1.00 52.24 C ATOM 0 HA PRO A 22 -11.925 4.268 -5.326 1.00 32.23 H new ATOM 0 HB2 PRO A 22 -13.477 6.385 -6.834 1.00 55.11 H new ATOM 0 HB3 PRO A 22 -13.922 4.709 -6.584 1.00 55.11 H new ATOM 0 HG2 PRO A 22 -15.244 6.664 -5.295 1.00 70.42 H new ATOM 0 HG3 PRO A 22 -14.923 5.140 -4.491 1.00 70.42 H new ATOM 0 HD2 PRO A 22 -13.463 7.784 -4.176 1.00 52.24 H new ATOM 0 HD3 PRO A 22 -13.941 6.645 -2.933 1.00 52.24 H new ATOM 380 N GLN A 23 -10.492 7.052 -5.892 1.00 11.23 N ATOM 381 CA GLN A 23 -9.426 7.802 -6.577 1.00 4.20 C ATOM 382 C GLN A 23 -8.035 7.129 -6.440 1.00 71.14 C ATOM 383 O GLN A 23 -7.193 7.275 -7.332 1.00 14.23 O ATOM 384 CB GLN A 23 -9.406 9.240 -5.986 1.00 21.15 C ATOM 385 CG GLN A 23 -9.261 9.277 -4.444 1.00 24.43 C ATOM 386 CD GLN A 23 -9.627 10.608 -3.796 1.00 73.21 C ATOM 387 OE1 GLN A 23 -10.437 11.376 -4.313 1.00 75.21 O ATOM 388 NE2 GLN A 23 -9.064 10.870 -2.629 1.00 31.11 N ATOM 0 H GLN A 23 -10.816 7.515 -5.043 1.00 11.23 H new ATOM 0 HA GLN A 23 -9.638 7.823 -7.646 1.00 4.20 H new ATOM 0 HB2 GLN A 23 -8.582 9.796 -6.433 1.00 21.15 H new ATOM 0 HB3 GLN A 23 -10.326 9.752 -6.268 1.00 21.15 H new ATOM 0 HG2 GLN A 23 -9.890 8.496 -4.016 1.00 24.43 H new ATOM 0 HG3 GLN A 23 -8.230 9.035 -4.185 1.00 24.43 H new ATOM 0 HE21 GLN A 23 -8.396 10.213 -2.226 1.00 31.11 H new ATOM 0 HE22 GLN A 23 -9.298 11.729 -2.131 1.00 31.11 H new ATOM 397 N VAL A 24 -7.792 6.401 -5.328 1.00 15.21 N ATOM 398 CA VAL A 24 -6.471 5.775 -5.059 1.00 13.33 C ATOM 399 C VAL A 24 -6.462 4.304 -5.496 1.00 75.01 C ATOM 400 O VAL A 24 -7.520 3.674 -5.628 1.00 74.45 O ATOM 401 CB VAL A 24 -6.037 5.891 -3.544 1.00 10.12 C ATOM 402 CG1 VAL A 24 -5.889 7.371 -3.127 1.00 24.42 C ATOM 403 CG2 VAL A 24 -7.005 5.133 -2.602 1.00 25.05 C ATOM 0 H VAL A 24 -8.488 6.231 -4.602 1.00 15.21 H new ATOM 0 HA VAL A 24 -5.743 6.331 -5.649 1.00 13.33 H new ATOM 0 HB VAL A 24 -5.063 5.412 -3.446 1.00 10.12 H new ATOM 0 HG11 VAL A 24 -5.590 7.426 -2.080 1.00 24.42 H new ATOM 0 HG12 VAL A 24 -5.131 7.850 -3.747 1.00 24.42 H new ATOM 0 HG13 VAL A 24 -6.842 7.883 -3.259 1.00 24.42 H new ATOM 0 HG21 VAL A 24 -6.668 5.240 -1.571 1.00 25.05 H new ATOM 0 HG22 VAL A 24 -8.008 5.548 -2.701 1.00 25.05 H new ATOM 0 HG23 VAL A 24 -7.021 4.077 -2.871 1.00 25.05 H new ATOM 413 N GLU A 25 -5.246 3.781 -5.732 1.00 72.44 N ATOM 414 CA GLU A 25 -5.011 2.378 -6.111 1.00 41.03 C ATOM 415 C GLU A 25 -4.864 1.528 -4.852 1.00 42.31 C ATOM 416 O GLU A 25 -4.188 1.936 -3.914 1.00 60.14 O ATOM 417 CB GLU A 25 -3.736 2.262 -6.972 1.00 35.25 C ATOM 418 CG GLU A 25 -3.761 3.140 -8.230 1.00 73.40 C ATOM 419 CD GLU A 25 -2.446 3.091 -9.007 1.00 41.12 C ATOM 420 OE1 GLU A 25 -1.493 3.800 -8.619 1.00 22.30 O ATOM 421 OE2 GLU A 25 -2.336 2.326 -9.985 1.00 45.41 O ATOM 0 H GLU A 25 -4.388 4.329 -5.664 1.00 72.44 H new ATOM 0 HA GLU A 25 -5.860 2.021 -6.694 1.00 41.03 H new ATOM 0 HB2 GLU A 25 -2.872 2.535 -6.366 1.00 35.25 H new ATOM 0 HB3 GLU A 25 -3.601 1.222 -7.268 1.00 35.25 H new ATOM 0 HG2 GLU A 25 -4.574 2.816 -8.879 1.00 73.40 H new ATOM 0 HG3 GLU A 25 -3.972 4.171 -7.945 1.00 73.40 H new ATOM 428 N VAL A 26 -5.517 0.356 -4.831 1.00 43.12 N ATOM 429 CA VAL A 26 -5.470 -0.574 -3.686 1.00 61.23 C ATOM 430 C VAL A 26 -5.081 -1.983 -4.185 1.00 55.34 C ATOM 431 O VAL A 26 -5.874 -2.668 -4.830 1.00 30.44 O ATOM 432 CB VAL A 26 -6.840 -0.613 -2.907 1.00 21.20 C ATOM 433 CG1 VAL A 26 -6.780 -1.587 -1.704 1.00 5.04 C ATOM 434 CG2 VAL A 26 -7.244 0.810 -2.441 1.00 1.42 C ATOM 0 H VAL A 26 -6.093 0.024 -5.605 1.00 43.12 H new ATOM 0 HA VAL A 26 -4.716 -0.218 -2.984 1.00 61.23 H new ATOM 0 HB VAL A 26 -7.602 -0.982 -3.593 1.00 21.20 H new ATOM 0 HG11 VAL A 26 -7.741 -1.589 -1.189 1.00 5.04 H new ATOM 0 HG12 VAL A 26 -6.557 -2.593 -2.061 1.00 5.04 H new ATOM 0 HG13 VAL A 26 -6.000 -1.265 -1.014 1.00 5.04 H new ATOM 0 HG21 VAL A 26 -8.192 0.762 -1.905 1.00 1.42 H new ATOM 0 HG22 VAL A 26 -6.474 1.209 -1.781 1.00 1.42 H new ATOM 0 HG23 VAL A 26 -7.350 1.461 -3.309 1.00 1.42 H new ATOM 444 N ARG A 27 -3.848 -2.387 -3.856 1.00 55.31 N ATOM 445 CA ARG A 27 -3.264 -3.679 -4.227 1.00 31.13 C ATOM 446 C ARG A 27 -3.530 -4.687 -3.103 1.00 44.03 C ATOM 447 O ARG A 27 -3.335 -4.366 -1.935 1.00 12.12 O ATOM 448 CB ARG A 27 -1.729 -3.499 -4.418 1.00 74.52 C ATOM 449 CG ARG A 27 -1.300 -2.695 -5.677 1.00 74.32 C ATOM 450 CD ARG A 27 -1.134 -3.576 -6.929 1.00 44.41 C ATOM 451 NE ARG A 27 -2.371 -4.240 -7.353 1.00 52.32 N ATOM 452 CZ ARG A 27 -2.425 -5.357 -8.105 1.00 33.31 C ATOM 453 NH1 ARG A 27 -1.315 -5.962 -8.519 1.00 43.23 N ATOM 454 NH2 ARG A 27 -3.602 -5.829 -8.467 1.00 73.14 N ATOM 0 H ARG A 27 -3.212 -1.807 -3.309 1.00 55.31 H new ATOM 0 HA ARG A 27 -3.708 -4.043 -5.154 1.00 31.13 H new ATOM 0 HB2 ARG A 27 -1.327 -3.001 -3.536 1.00 74.52 H new ATOM 0 HB3 ARG A 27 -1.268 -4.486 -4.464 1.00 74.52 H new ATOM 0 HG2 ARG A 27 -2.043 -1.924 -5.879 1.00 74.32 H new ATOM 0 HG3 ARG A 27 -0.359 -2.185 -5.472 1.00 74.32 H new ATOM 0 HD2 ARG A 27 -0.764 -2.960 -7.749 1.00 44.41 H new ATOM 0 HD3 ARG A 27 -0.375 -4.333 -6.731 1.00 44.41 H new ATOM 0 HE ARG A 27 -3.255 -3.826 -7.057 1.00 52.32 H new ATOM 0 HH11 ARG A 27 -0.403 -5.581 -8.268 1.00 43.23 H new ATOM 0 HH12 ARG A 27 -1.376 -6.807 -9.088 1.00 43.23 H new ATOM 0 HH21 ARG A 27 -4.455 -5.350 -8.178 1.00 73.14 H new ATOM 0 HH22 ARG A 27 -3.660 -6.673 -9.036 1.00 73.14 H new ATOM 468 N LEU A 28 -3.979 -5.892 -3.465 1.00 35.44 N ATOM 469 CA LEU A 28 -4.181 -6.980 -2.494 1.00 44.51 C ATOM 470 C LEU A 28 -2.914 -7.839 -2.450 1.00 12.52 C ATOM 471 O LEU A 28 -2.371 -8.205 -3.503 1.00 30.52 O ATOM 472 CB LEU A 28 -5.393 -7.874 -2.864 1.00 31.34 C ATOM 473 CG LEU A 28 -5.714 -9.024 -1.836 1.00 30.02 C ATOM 474 CD1 LEU A 28 -6.334 -8.465 -0.542 1.00 4.41 C ATOM 475 CD2 LEU A 28 -6.587 -10.126 -2.457 1.00 13.04 C ATOM 0 H LEU A 28 -4.211 -6.143 -4.426 1.00 35.44 H new ATOM 0 HA LEU A 28 -4.386 -6.534 -1.521 1.00 44.51 H new ATOM 0 HB2 LEU A 28 -6.275 -7.241 -2.964 1.00 31.34 H new ATOM 0 HB3 LEU A 28 -5.210 -8.322 -3.841 1.00 31.34 H new ATOM 0 HG LEU A 28 -4.765 -9.489 -1.568 1.00 30.02 H new ATOM 0 HD11 LEU A 28 -6.543 -9.285 0.145 1.00 4.41 H new ATOM 0 HD12 LEU A 28 -5.637 -7.769 -0.075 1.00 4.41 H new ATOM 0 HD13 LEU A 28 -7.262 -7.944 -0.779 1.00 4.41 H new ATOM 0 HD21 LEU A 28 -6.783 -10.898 -1.713 1.00 13.04 H new ATOM 0 HD22 LEU A 28 -7.531 -9.697 -2.792 1.00 13.04 H new ATOM 0 HD23 LEU A 28 -6.067 -10.566 -3.308 1.00 13.04 H new ATOM 487 N VAL A 29 -2.452 -8.159 -1.235 1.00 54.23 N ATOM 488 CA VAL A 29 -1.322 -9.062 -1.003 1.00 15.51 C ATOM 489 C VAL A 29 -1.765 -10.175 -0.046 1.00 54.45 C ATOM 490 O VAL A 29 -2.055 -9.920 1.126 1.00 33.33 O ATOM 491 CB VAL A 29 -0.066 -8.297 -0.436 1.00 74.24 C ATOM 492 CG1 VAL A 29 1.080 -9.272 -0.064 1.00 41.45 C ATOM 493 CG2 VAL A 29 0.437 -7.234 -1.440 1.00 72.45 C ATOM 0 H VAL A 29 -2.859 -7.792 -0.375 1.00 54.23 H new ATOM 0 HA VAL A 29 -1.018 -9.496 -1.956 1.00 15.51 H new ATOM 0 HB VAL A 29 -0.383 -7.791 0.476 1.00 74.24 H new ATOM 0 HG11 VAL A 29 1.928 -8.706 0.323 1.00 41.45 H new ATOM 0 HG12 VAL A 29 0.731 -9.970 0.697 1.00 41.45 H new ATOM 0 HG13 VAL A 29 1.388 -9.827 -0.950 1.00 41.45 H new ATOM 0 HG21 VAL A 29 1.304 -6.721 -1.023 1.00 72.45 H new ATOM 0 HG22 VAL A 29 0.717 -7.720 -2.375 1.00 72.45 H new ATOM 0 HG23 VAL A 29 -0.355 -6.510 -1.631 1.00 72.45 H new ATOM 503 N THR A 30 -1.867 -11.400 -0.577 1.00 51.11 N ATOM 504 CA THR A 30 -2.166 -12.622 0.199 1.00 60.31 C ATOM 505 C THR A 30 -0.928 -13.543 0.231 1.00 41.22 C ATOM 506 O THR A 30 -0.714 -14.304 1.190 1.00 13.15 O ATOM 507 CB THR A 30 -3.411 -13.368 -0.388 1.00 31.44 C ATOM 508 OG1 THR A 30 -3.228 -13.613 -1.798 1.00 15.01 O ATOM 509 CG2 THR A 30 -4.703 -12.557 -0.168 1.00 51.33 C ATOM 0 H THR A 30 -1.743 -11.578 -1.574 1.00 51.11 H new ATOM 0 HA THR A 30 -2.409 -12.335 1.222 1.00 60.31 H new ATOM 0 HB THR A 30 -3.507 -14.319 0.137 1.00 31.44 H new ATOM 0 HG1 THR A 30 -4.012 -14.081 -2.153 1.00 15.01 H new ATOM 0 HG21 THR A 30 -5.550 -13.101 -0.586 1.00 51.33 H new ATOM 0 HG22 THR A 30 -4.861 -12.406 0.900 1.00 51.33 H new ATOM 0 HG23 THR A 30 -4.614 -11.589 -0.662 1.00 51.33 H new ATOM 517 N THR A 31 -0.097 -13.422 -0.812 1.00 1.30 N ATOM 518 CA THR A 31 1.185 -14.129 -0.946 1.00 61.04 C ATOM 519 C THR A 31 2.297 -13.087 -1.152 1.00 60.41 C ATOM 520 O THR A 31 2.004 -11.949 -1.553 1.00 33.22 O ATOM 521 CB THR A 31 1.164 -15.135 -2.153 1.00 14.12 C ATOM 522 OG1 THR A 31 0.947 -14.431 -3.384 1.00 52.13 O ATOM 523 CG2 THR A 31 0.073 -16.216 -2.003 1.00 23.52 C ATOM 0 H THR A 31 -0.302 -12.815 -1.606 1.00 1.30 H new ATOM 0 HA THR A 31 1.366 -14.708 -0.040 1.00 61.04 H new ATOM 0 HB THR A 31 2.135 -15.630 -2.161 1.00 14.12 H new ATOM 0 HG1 THR A 31 0.273 -13.733 -3.247 1.00 52.13 H new ATOM 0 HG21 THR A 31 0.102 -16.884 -2.864 1.00 23.52 H new ATOM 0 HG22 THR A 31 0.251 -16.788 -1.093 1.00 23.52 H new ATOM 0 HG23 THR A 31 -0.906 -15.740 -1.947 1.00 23.52 H new ATOM 531 N GLU A 32 3.560 -13.478 -0.895 1.00 33.12 N ATOM 532 CA GLU A 32 4.729 -12.597 -1.105 1.00 13.15 C ATOM 533 C GLU A 32 4.838 -12.172 -2.581 1.00 33.32 C ATOM 534 O GLU A 32 5.269 -11.057 -2.872 1.00 50.11 O ATOM 535 CB GLU A 32 6.042 -13.288 -0.661 1.00 32.11 C ATOM 536 CG GLU A 32 7.301 -12.403 -0.838 1.00 64.34 C ATOM 537 CD GLU A 32 8.591 -13.106 -0.433 1.00 54.14 C ATOM 538 OE1 GLU A 32 8.896 -13.142 0.772 1.00 75.24 O ATOM 539 OE2 GLU A 32 9.291 -13.655 -1.308 1.00 34.54 O ATOM 0 H GLU A 32 3.799 -14.404 -0.539 1.00 33.12 H new ATOM 0 HA GLU A 32 4.581 -11.709 -0.491 1.00 13.15 H new ATOM 0 HB2 GLU A 32 5.955 -13.575 0.387 1.00 32.11 H new ATOM 0 HB3 GLU A 32 6.171 -14.206 -1.234 1.00 32.11 H new ATOM 0 HG2 GLU A 32 7.376 -12.093 -1.880 1.00 64.34 H new ATOM 0 HG3 GLU A 32 7.187 -11.497 -0.243 1.00 64.34 H new ATOM 546 N GLU A 33 4.418 -13.080 -3.488 1.00 43.14 N ATOM 547 CA GLU A 33 4.445 -12.870 -4.941 1.00 1.13 C ATOM 548 C GLU A 33 3.687 -11.587 -5.328 1.00 43.22 C ATOM 549 O GLU A 33 4.177 -10.807 -6.142 1.00 12.44 O ATOM 550 CB GLU A 33 3.858 -14.107 -5.671 1.00 50.32 C ATOM 551 CG GLU A 33 3.912 -14.023 -7.211 1.00 4.41 C ATOM 552 CD GLU A 33 3.503 -15.323 -7.916 1.00 30.34 C ATOM 553 OE1 GLU A 33 4.364 -16.210 -8.097 1.00 61.44 O ATOM 554 OE2 GLU A 33 2.324 -15.469 -8.294 1.00 4.23 O ATOM 0 H GLU A 33 4.046 -13.992 -3.221 1.00 43.14 H new ATOM 0 HA GLU A 33 5.482 -12.745 -5.253 1.00 1.13 H new ATOM 0 HB2 GLU A 33 4.401 -14.996 -5.348 1.00 50.32 H new ATOM 0 HB3 GLU A 33 2.821 -14.238 -5.362 1.00 50.32 H new ATOM 0 HG2 GLU A 33 3.257 -13.218 -7.545 1.00 4.41 H new ATOM 0 HG3 GLU A 33 4.924 -13.758 -7.516 1.00 4.41 H new ATOM 561 N ASP A 34 2.526 -11.359 -4.675 1.00 75.15 N ATOM 562 CA ASP A 34 1.708 -10.139 -4.871 1.00 43.20 C ATOM 563 C ASP A 34 2.512 -8.881 -4.533 1.00 71.31 C ATOM 564 O ASP A 34 2.514 -7.918 -5.294 1.00 11.34 O ATOM 565 CB ASP A 34 0.439 -10.157 -3.984 1.00 63.11 C ATOM 566 CG ASP A 34 -0.517 -11.310 -4.277 1.00 32.43 C ATOM 567 OD1 ASP A 34 -0.959 -11.455 -5.427 1.00 50.21 O ATOM 568 OD2 ASP A 34 -0.873 -12.057 -3.357 1.00 44.33 O ATOM 0 H ASP A 34 2.130 -12.012 -3.999 1.00 75.15 H new ATOM 0 HA ASP A 34 1.416 -10.124 -5.921 1.00 43.20 H new ATOM 0 HB2 ASP A 34 0.742 -10.209 -2.938 1.00 63.11 H new ATOM 0 HB3 ASP A 34 -0.095 -9.216 -4.115 1.00 63.11 H new ATOM 573 N ALA A 35 3.199 -8.921 -3.372 1.00 24.35 N ATOM 574 CA ALA A 35 4.019 -7.804 -2.870 1.00 34.21 C ATOM 575 C ALA A 35 5.196 -7.508 -3.811 1.00 3.44 C ATOM 576 O ALA A 35 5.564 -6.349 -3.992 1.00 11.22 O ATOM 577 CB ALA A 35 4.523 -8.108 -1.451 1.00 71.30 C ATOM 0 H ALA A 35 3.199 -9.734 -2.756 1.00 24.35 H new ATOM 0 HA ALA A 35 3.391 -6.914 -2.835 1.00 34.21 H new ATOM 0 HB1 ALA A 35 5.127 -7.274 -1.093 1.00 71.30 H new ATOM 0 HB2 ALA A 35 3.672 -8.251 -0.785 1.00 71.30 H new ATOM 0 HB3 ALA A 35 5.128 -9.014 -1.466 1.00 71.30 H new ATOM 583 N LYS A 36 5.767 -8.576 -4.407 1.00 50.51 N ATOM 584 CA LYS A 36 6.839 -8.477 -5.415 1.00 13.33 C ATOM 585 C LYS A 36 6.329 -7.756 -6.682 1.00 34.23 C ATOM 586 O LYS A 36 7.053 -6.948 -7.278 1.00 42.05 O ATOM 587 CB LYS A 36 7.363 -9.902 -5.756 1.00 1.20 C ATOM 588 CG LYS A 36 8.023 -10.624 -4.558 1.00 24.42 C ATOM 589 CD LYS A 36 8.321 -12.133 -4.773 1.00 11.24 C ATOM 590 CE LYS A 36 9.359 -12.432 -5.876 1.00 30.54 C ATOM 591 NZ LYS A 36 8.794 -12.309 -7.247 1.00 55.42 N ATOM 0 H LYS A 36 5.494 -9.537 -4.200 1.00 50.51 H new ATOM 0 HA LYS A 36 7.661 -7.888 -5.009 1.00 13.33 H new ATOM 0 HB2 LYS A 36 6.533 -10.507 -6.121 1.00 1.20 H new ATOM 0 HB3 LYS A 36 8.086 -9.829 -6.568 1.00 1.20 H new ATOM 0 HG2 LYS A 36 8.958 -10.117 -4.320 1.00 24.42 H new ATOM 0 HG3 LYS A 36 7.373 -10.519 -3.689 1.00 24.42 H new ATOM 0 HD2 LYS A 36 8.676 -12.557 -3.834 1.00 11.24 H new ATOM 0 HD3 LYS A 36 7.390 -12.642 -5.021 1.00 11.24 H new ATOM 0 HE2 LYS A 36 10.201 -11.747 -5.772 1.00 30.54 H new ATOM 0 HE3 LYS A 36 9.749 -13.440 -5.738 1.00 30.54 H new ATOM 0 HZ1 LYS A 36 9.127 -13.102 -7.832 1.00 55.42 H new ATOM 0 HZ2 LYS A 36 7.755 -12.328 -7.197 1.00 55.42 H new ATOM 0 HZ3 LYS A 36 9.104 -11.412 -7.671 1.00 55.42 H new ATOM 605 N GLN A 37 5.065 -8.050 -7.062 1.00 32.01 N ATOM 606 CA GLN A 37 4.384 -7.389 -8.195 1.00 1.33 C ATOM 607 C GLN A 37 4.175 -5.888 -7.900 1.00 32.13 C ATOM 608 O GLN A 37 4.330 -5.047 -8.792 1.00 11.44 O ATOM 609 CB GLN A 37 3.016 -8.058 -8.495 1.00 53.42 C ATOM 610 CG GLN A 37 3.079 -9.569 -8.792 1.00 35.03 C ATOM 611 CD GLN A 37 1.713 -10.196 -9.067 1.00 2.12 C ATOM 612 OE1 GLN A 37 1.454 -11.345 -8.701 1.00 40.32 O ATOM 613 NE2 GLN A 37 0.853 -9.482 -9.779 1.00 54.40 N ATOM 0 H GLN A 37 4.491 -8.750 -6.592 1.00 32.01 H new ATOM 0 HA GLN A 37 5.022 -7.497 -9.072 1.00 1.33 H new ATOM 0 HB2 GLN A 37 2.356 -7.898 -7.642 1.00 53.42 H new ATOM 0 HB3 GLN A 37 2.562 -7.554 -9.348 1.00 53.42 H new ATOM 0 HG2 GLN A 37 3.726 -9.735 -9.654 1.00 35.03 H new ATOM 0 HG3 GLN A 37 3.539 -10.078 -7.945 1.00 35.03 H new ATOM 0 HE21 GLN A 37 1.094 -8.534 -10.068 1.00 54.40 H new ATOM 0 HE22 GLN A 37 -0.050 -9.881 -10.038 1.00 54.40 H new ATOM 622 N VAL A 38 3.820 -5.575 -6.632 1.00 42.43 N ATOM 623 CA VAL A 38 3.635 -4.192 -6.158 1.00 25.22 C ATOM 624 C VAL A 38 4.957 -3.404 -6.260 1.00 12.11 C ATOM 625 O VAL A 38 4.956 -2.279 -6.731 1.00 11.04 O ATOM 626 CB VAL A 38 3.082 -4.147 -4.679 1.00 33.14 C ATOM 627 CG1 VAL A 38 2.911 -2.692 -4.175 1.00 32.03 C ATOM 628 CG2 VAL A 38 1.748 -4.919 -4.565 1.00 3.24 C ATOM 0 H VAL A 38 3.655 -6.278 -5.912 1.00 42.43 H new ATOM 0 HA VAL A 38 2.892 -3.723 -6.803 1.00 25.22 H new ATOM 0 HB VAL A 38 3.821 -4.634 -4.042 1.00 33.14 H new ATOM 0 HG11 VAL A 38 2.529 -2.703 -3.154 1.00 32.03 H new ATOM 0 HG12 VAL A 38 3.875 -2.184 -4.196 1.00 32.03 H new ATOM 0 HG13 VAL A 38 2.209 -2.164 -4.820 1.00 32.03 H new ATOM 0 HG21 VAL A 38 1.388 -4.873 -3.537 1.00 3.24 H new ATOM 0 HG22 VAL A 38 1.009 -4.469 -5.229 1.00 3.24 H new ATOM 0 HG23 VAL A 38 1.905 -5.960 -4.849 1.00 3.24 H new ATOM 638 N ILE A 39 6.076 -4.043 -5.856 1.00 31.13 N ATOM 639 CA ILE A 39 7.431 -3.439 -5.894 1.00 74.54 C ATOM 640 C ILE A 39 7.795 -2.970 -7.320 1.00 73.11 C ATOM 641 O ILE A 39 8.284 -1.850 -7.498 1.00 10.25 O ATOM 642 CB ILE A 39 8.509 -4.456 -5.358 1.00 33.41 C ATOM 643 CG1 ILE A 39 8.294 -4.742 -3.842 1.00 5.11 C ATOM 644 CG2 ILE A 39 9.954 -3.967 -5.623 1.00 52.23 C ATOM 645 CD1 ILE A 39 9.161 -5.855 -3.277 1.00 70.04 C ATOM 0 H ILE A 39 6.068 -4.996 -5.492 1.00 31.13 H new ATOM 0 HA ILE A 39 7.423 -2.565 -5.243 1.00 74.54 H new ATOM 0 HB ILE A 39 8.376 -5.386 -5.911 1.00 33.41 H new ATOM 0 HG12 ILE A 39 8.490 -3.827 -3.282 1.00 5.11 H new ATOM 0 HG13 ILE A 39 7.247 -4.997 -3.679 1.00 5.11 H new ATOM 0 HG21 ILE A 39 10.663 -4.700 -5.237 1.00 52.23 H new ATOM 0 HG22 ILE A 39 10.106 -3.846 -6.695 1.00 52.23 H new ATOM 0 HG23 ILE A 39 10.112 -3.011 -5.124 1.00 52.23 H new ATOM 0 HD11 ILE A 39 8.943 -5.983 -2.217 1.00 70.04 H new ATOM 0 HD12 ILE A 39 8.950 -6.785 -3.806 1.00 70.04 H new ATOM 0 HD13 ILE A 39 10.212 -5.597 -3.403 1.00 70.04 H new ATOM 657 N LYS A 40 7.539 -3.841 -8.319 1.00 72.43 N ATOM 658 CA LYS A 40 7.769 -3.521 -9.744 1.00 45.30 C ATOM 659 C LYS A 40 6.887 -2.340 -10.184 1.00 53.34 C ATOM 660 O LYS A 40 7.373 -1.386 -10.780 1.00 71.42 O ATOM 661 CB LYS A 40 7.489 -4.758 -10.639 1.00 32.34 C ATOM 662 CG LYS A 40 8.388 -5.971 -10.329 1.00 31.52 C ATOM 663 CD LYS A 40 8.101 -7.174 -11.256 1.00 74.12 C ATOM 664 CE LYS A 40 8.943 -8.408 -10.903 1.00 23.33 C ATOM 665 NZ LYS A 40 8.632 -9.571 -11.774 1.00 41.13 N ATOM 0 H LYS A 40 7.170 -4.779 -8.163 1.00 72.43 H new ATOM 0 HA LYS A 40 8.815 -3.238 -9.860 1.00 45.30 H new ATOM 0 HB2 LYS A 40 6.446 -5.052 -10.520 1.00 32.34 H new ATOM 0 HB3 LYS A 40 7.623 -4.476 -11.683 1.00 32.34 H new ATOM 0 HG2 LYS A 40 9.433 -5.680 -10.431 1.00 31.52 H new ATOM 0 HG3 LYS A 40 8.241 -6.273 -9.292 1.00 31.52 H new ATOM 0 HD2 LYS A 40 7.044 -7.431 -11.194 1.00 74.12 H new ATOM 0 HD3 LYS A 40 8.299 -6.887 -12.289 1.00 74.12 H new ATOM 0 HE2 LYS A 40 10.001 -8.161 -10.994 1.00 23.33 H new ATOM 0 HE3 LYS A 40 8.767 -8.679 -9.862 1.00 23.33 H new ATOM 0 HZ1 LYS A 40 9.225 -10.380 -11.498 1.00 41.13 H new ATOM 0 HZ2 LYS A 40 7.629 -9.825 -11.669 1.00 41.13 H new ATOM 0 HZ3 LYS A 40 8.824 -9.323 -12.766 1.00 41.13 H new ATOM 679 N GLU A 41 5.597 -2.421 -9.809 1.00 32.51 N ATOM 680 CA GLU A 41 4.556 -1.427 -10.134 1.00 74.54 C ATOM 681 C GLU A 41 4.942 -0.015 -9.629 1.00 40.25 C ATOM 682 O GLU A 41 4.716 1.000 -10.310 1.00 53.44 O ATOM 683 CB GLU A 41 3.233 -1.901 -9.473 1.00 42.51 C ATOM 684 CG GLU A 41 1.974 -1.125 -9.873 1.00 50.22 C ATOM 685 CD GLU A 41 1.650 -1.206 -11.376 1.00 41.35 C ATOM 686 OE1 GLU A 41 1.551 -2.332 -11.909 1.00 43.21 O ATOM 687 OE2 GLU A 41 1.454 -0.155 -12.024 1.00 65.41 O ATOM 0 H GLU A 41 5.240 -3.201 -9.257 1.00 32.51 H new ATOM 0 HA GLU A 41 4.442 -1.352 -11.215 1.00 74.54 H new ATOM 0 HB2 GLU A 41 3.082 -2.952 -9.718 1.00 42.51 H new ATOM 0 HB3 GLU A 41 3.347 -1.839 -8.391 1.00 42.51 H new ATOM 0 HG2 GLU A 41 1.126 -1.509 -9.306 1.00 50.22 H new ATOM 0 HG3 GLU A 41 2.098 -0.079 -9.593 1.00 50.22 H new ATOM 694 N ILE A 42 5.531 0.001 -8.421 1.00 54.20 N ATOM 695 CA ILE A 42 6.074 1.196 -7.783 1.00 23.12 C ATOM 696 C ILE A 42 7.188 1.818 -8.649 1.00 13.33 C ATOM 697 O ILE A 42 7.152 3.012 -8.936 1.00 64.22 O ATOM 698 CB ILE A 42 6.617 0.858 -6.345 1.00 70.25 C ATOM 699 CG1 ILE A 42 5.456 0.456 -5.372 1.00 74.24 C ATOM 700 CG2 ILE A 42 7.435 2.029 -5.769 1.00 30.11 C ATOM 701 CD1 ILE A 42 5.919 -0.167 -4.057 1.00 60.24 C ATOM 0 H ILE A 42 5.642 -0.840 -7.854 1.00 54.20 H new ATOM 0 HA ILE A 42 5.270 1.925 -7.685 1.00 23.12 H new ATOM 0 HB ILE A 42 7.280 -0.001 -6.442 1.00 70.25 H new ATOM 0 HG12 ILE A 42 4.862 1.342 -5.150 1.00 74.24 H new ATOM 0 HG13 ILE A 42 4.799 -0.249 -5.882 1.00 74.24 H new ATOM 0 HG21 ILE A 42 7.797 1.766 -4.775 1.00 30.11 H new ATOM 0 HG22 ILE A 42 8.284 2.236 -6.421 1.00 30.11 H new ATOM 0 HG23 ILE A 42 6.804 2.916 -5.703 1.00 30.11 H new ATOM 0 HD11 ILE A 42 5.051 -0.414 -3.446 1.00 60.24 H new ATOM 0 HD12 ILE A 42 6.487 -1.074 -4.264 1.00 60.24 H new ATOM 0 HD13 ILE A 42 6.550 0.542 -3.521 1.00 60.24 H new ATOM 713 N GLN A 43 8.145 0.972 -9.077 1.00 22.15 N ATOM 714 CA GLN A 43 9.299 1.390 -9.899 1.00 45.30 C ATOM 715 C GLN A 43 8.846 1.927 -11.276 1.00 15.32 C ATOM 716 O GLN A 43 9.493 2.812 -11.842 1.00 73.34 O ATOM 717 CB GLN A 43 10.272 0.195 -10.083 1.00 13.13 C ATOM 718 CG GLN A 43 10.873 -0.344 -8.770 1.00 62.51 C ATOM 719 CD GLN A 43 11.747 -1.588 -8.965 1.00 51.24 C ATOM 720 OE1 GLN A 43 12.360 -1.779 -10.018 1.00 64.22 O ATOM 721 NE2 GLN A 43 11.818 -2.445 -7.956 1.00 32.33 N ATOM 0 H GLN A 43 8.140 -0.025 -8.862 1.00 22.15 H new ATOM 0 HA GLN A 43 9.812 2.199 -9.380 1.00 45.30 H new ATOM 0 HB2 GLN A 43 9.743 -0.615 -10.586 1.00 13.13 H new ATOM 0 HB3 GLN A 43 11.085 0.502 -10.741 1.00 13.13 H new ATOM 0 HG2 GLN A 43 11.469 0.440 -8.303 1.00 62.51 H new ATOM 0 HG3 GLN A 43 10.064 -0.582 -8.080 1.00 62.51 H new ATOM 0 HE21 GLN A 43 11.301 -2.264 -7.096 1.00 32.33 H new ATOM 0 HE22 GLN A 43 12.390 -3.286 -8.040 1.00 32.33 H new ATOM 730 N LYS A 44 7.727 1.369 -11.795 1.00 62.43 N ATOM 731 CA LYS A 44 7.169 1.749 -13.111 1.00 22.33 C ATOM 732 C LYS A 44 6.588 3.171 -13.096 1.00 4.22 C ATOM 733 O LYS A 44 6.911 3.989 -13.965 1.00 2.13 O ATOM 734 CB LYS A 44 6.074 0.741 -13.568 1.00 72.41 C ATOM 735 CG LYS A 44 6.578 -0.709 -13.755 1.00 10.11 C ATOM 736 CD LYS A 44 7.760 -0.821 -14.751 1.00 53.01 C ATOM 737 CE LYS A 44 8.228 -2.273 -14.945 1.00 63.44 C ATOM 738 NZ LYS A 44 7.150 -3.145 -15.481 1.00 61.44 N ATOM 0 H LYS A 44 7.190 0.647 -11.315 1.00 62.43 H new ATOM 0 HA LYS A 44 7.995 1.724 -13.822 1.00 22.33 H new ATOM 0 HB2 LYS A 44 5.268 0.741 -12.834 1.00 72.41 H new ATOM 0 HB3 LYS A 44 5.647 1.089 -14.509 1.00 72.41 H new ATOM 0 HG2 LYS A 44 6.887 -1.107 -12.788 1.00 10.11 H new ATOM 0 HG3 LYS A 44 5.755 -1.330 -14.107 1.00 10.11 H new ATOM 0 HD2 LYS A 44 7.461 -0.407 -15.714 1.00 53.01 H new ATOM 0 HD3 LYS A 44 8.594 -0.219 -14.390 1.00 53.01 H new ATOM 0 HE2 LYS A 44 9.079 -2.290 -15.626 1.00 63.44 H new ATOM 0 HE3 LYS A 44 8.575 -2.671 -13.991 1.00 63.44 H new ATOM 0 HZ1 LYS A 44 7.554 -4.059 -15.770 1.00 61.44 H new ATOM 0 HZ2 LYS A 44 6.432 -3.301 -14.745 1.00 61.44 H new ATOM 0 HZ3 LYS A 44 6.709 -2.686 -16.303 1.00 61.44 H new ATOM 752 N LYS A 45 5.726 3.456 -12.104 1.00 44.31 N ATOM 753 CA LYS A 45 5.019 4.756 -11.993 1.00 65.40 C ATOM 754 C LYS A 45 5.844 5.804 -11.230 1.00 64.11 C ATOM 755 O LYS A 45 5.593 7.007 -11.365 1.00 21.51 O ATOM 756 CB LYS A 45 3.654 4.555 -11.297 1.00 1.23 C ATOM 757 CG LYS A 45 2.648 3.724 -12.117 1.00 43.24 C ATOM 758 CD LYS A 45 1.380 3.363 -11.317 1.00 63.23 C ATOM 759 CE LYS A 45 1.678 2.482 -10.091 1.00 61.24 C ATOM 760 NZ LYS A 45 0.462 1.817 -9.584 1.00 24.14 N ATOM 0 H LYS A 45 5.497 2.800 -11.358 1.00 44.31 H new ATOM 0 HA LYS A 45 4.868 5.132 -13.005 1.00 65.40 H new ATOM 0 HB2 LYS A 45 3.816 4.066 -10.337 1.00 1.23 H new ATOM 0 HB3 LYS A 45 3.217 5.532 -11.088 1.00 1.23 H new ATOM 0 HG2 LYS A 45 2.363 4.283 -13.008 1.00 43.24 H new ATOM 0 HG3 LYS A 45 3.131 2.808 -12.456 1.00 43.24 H new ATOM 0 HD2 LYS A 45 0.890 4.280 -10.989 1.00 63.23 H new ATOM 0 HD3 LYS A 45 0.680 2.843 -11.971 1.00 63.23 H new ATOM 0 HE2 LYS A 45 2.420 1.729 -10.357 1.00 61.24 H new ATOM 0 HE3 LYS A 45 2.114 3.094 -9.301 1.00 61.24 H new ATOM 0 HZ1 LYS A 45 0.687 1.301 -8.709 1.00 24.14 H new ATOM 0 HZ2 LYS A 45 -0.268 2.531 -9.386 1.00 24.14 H new ATOM 0 HZ3 LYS A 45 0.108 1.149 -10.298 1.00 24.14 H new ATOM 774 N GLY A 46 6.813 5.338 -10.432 1.00 3.24 N ATOM 775 CA GLY A 46 7.574 6.216 -9.546 1.00 52.12 C ATOM 776 C GLY A 46 6.773 6.600 -8.307 1.00 12.30 C ATOM 777 O GLY A 46 6.668 7.784 -7.970 1.00 33.51 O ATOM 0 H GLY A 46 7.086 4.356 -10.385 1.00 3.24 H new ATOM 0 HA2 GLY A 46 8.495 5.718 -9.244 1.00 52.12 H new ATOM 0 HA3 GLY A 46 7.862 7.118 -10.087 1.00 52.12 H new ATOM 781 N VAL A 47 6.175 5.584 -7.658 1.00 62.41 N ATOM 782 CA VAL A 47 5.307 5.779 -6.486 1.00 40.33 C ATOM 783 C VAL A 47 6.136 6.262 -5.292 1.00 12.02 C ATOM 784 O VAL A 47 7.147 5.645 -4.947 1.00 63.15 O ATOM 785 CB VAL A 47 4.521 4.471 -6.128 1.00 31.12 C ATOM 786 CG1 VAL A 47 3.571 4.671 -4.921 1.00 55.41 C ATOM 787 CG2 VAL A 47 3.746 3.955 -7.358 1.00 31.42 C ATOM 0 H VAL A 47 6.281 4.607 -7.932 1.00 62.41 H new ATOM 0 HA VAL A 47 4.569 6.542 -6.734 1.00 40.33 H new ATOM 0 HB VAL A 47 5.254 3.720 -5.834 1.00 31.12 H new ATOM 0 HG11 VAL A 47 3.048 3.738 -4.711 1.00 55.41 H new ATOM 0 HG12 VAL A 47 4.151 4.967 -4.047 1.00 55.41 H new ATOM 0 HG13 VAL A 47 2.844 5.449 -5.155 1.00 55.41 H new ATOM 0 HG21 VAL A 47 3.206 3.046 -7.093 1.00 31.42 H new ATOM 0 HG22 VAL A 47 3.038 4.715 -7.687 1.00 31.42 H new ATOM 0 HG23 VAL A 47 4.446 3.738 -8.165 1.00 31.42 H new ATOM 797 N GLN A 48 5.704 7.374 -4.679 1.00 31.31 N ATOM 798 CA GLN A 48 6.469 8.060 -3.633 1.00 0.13 C ATOM 799 C GLN A 48 6.079 7.544 -2.236 1.00 22.35 C ATOM 800 O GLN A 48 6.948 7.237 -1.406 1.00 62.50 O ATOM 801 CB GLN A 48 6.246 9.589 -3.729 1.00 74.12 C ATOM 802 CG GLN A 48 7.201 10.426 -2.851 1.00 0.12 C ATOM 803 CD GLN A 48 8.670 10.227 -3.230 1.00 74.21 C ATOM 804 OE1 GLN A 48 9.214 10.950 -4.052 1.00 51.03 O ATOM 805 NE2 GLN A 48 9.309 9.216 -2.664 1.00 54.23 N ATOM 0 H GLN A 48 4.814 7.821 -4.896 1.00 31.31 H new ATOM 0 HA GLN A 48 7.527 7.847 -3.785 1.00 0.13 H new ATOM 0 HB2 GLN A 48 6.363 9.897 -4.768 1.00 74.12 H new ATOM 0 HB3 GLN A 48 5.218 9.813 -3.444 1.00 74.12 H new ATOM 0 HG2 GLN A 48 6.945 11.481 -2.945 1.00 0.12 H new ATOM 0 HG3 GLN A 48 7.059 10.155 -1.805 1.00 0.12 H new ATOM 0 HE21 GLN A 48 8.831 8.629 -1.981 1.00 54.23 H new ATOM 0 HE22 GLN A 48 10.280 9.024 -2.911 1.00 54.23 H new ATOM 814 N LYS A 49 4.761 7.468 -1.991 1.00 62.10 N ATOM 815 CA LYS A 49 4.205 6.982 -0.718 1.00 24.40 C ATOM 816 C LYS A 49 3.464 5.671 -0.960 1.00 72.52 C ATOM 817 O LYS A 49 2.655 5.571 -1.887 1.00 33.15 O ATOM 818 CB LYS A 49 3.222 8.011 -0.098 1.00 55.54 C ATOM 819 CG LYS A 49 3.855 9.349 0.341 1.00 65.24 C ATOM 820 CD LYS A 49 2.901 10.166 1.253 1.00 62.35 C ATOM 821 CE LYS A 49 3.542 11.444 1.808 1.00 12.54 C ATOM 822 NZ LYS A 49 3.808 12.442 0.746 1.00 61.05 N ATOM 0 H LYS A 49 4.051 7.742 -2.670 1.00 62.10 H new ATOM 0 HA LYS A 49 5.031 6.833 -0.022 1.00 24.40 H new ATOM 0 HB2 LYS A 49 2.437 8.221 -0.824 1.00 55.54 H new ATOM 0 HB3 LYS A 49 2.742 7.554 0.768 1.00 55.54 H new ATOM 0 HG2 LYS A 49 4.787 9.153 0.872 1.00 65.24 H new ATOM 0 HG3 LYS A 49 4.108 9.938 -0.541 1.00 65.24 H new ATOM 0 HD2 LYS A 49 2.008 10.431 0.688 1.00 62.35 H new ATOM 0 HD3 LYS A 49 2.578 9.539 2.084 1.00 62.35 H new ATOM 0 HE2 LYS A 49 2.885 11.882 2.559 1.00 12.54 H new ATOM 0 HE3 LYS A 49 4.476 11.192 2.310 1.00 12.54 H new ATOM 0 HZ1 LYS A 49 4.694 12.945 0.956 1.00 61.05 H new ATOM 0 HZ2 LYS A 49 3.894 11.959 -0.171 1.00 61.05 H new ATOM 0 HZ3 LYS A 49 3.024 13.124 0.706 1.00 61.05 H new ATOM 836 N VAL A 50 3.769 4.667 -0.130 1.00 63.14 N ATOM 837 CA VAL A 50 3.080 3.370 -0.137 1.00 1.22 C ATOM 838 C VAL A 50 2.501 3.099 1.259 1.00 35.14 C ATOM 839 O VAL A 50 3.229 3.097 2.261 1.00 42.21 O ATOM 840 CB VAL A 50 4.041 2.200 -0.570 1.00 71.02 C ATOM 841 CG1 VAL A 50 3.344 0.811 -0.497 1.00 22.32 C ATOM 842 CG2 VAL A 50 4.592 2.465 -1.988 1.00 61.24 C ATOM 0 H VAL A 50 4.507 4.732 0.571 1.00 63.14 H new ATOM 0 HA VAL A 50 2.274 3.412 -0.870 1.00 1.22 H new ATOM 0 HB VAL A 50 4.871 2.174 0.136 1.00 71.02 H new ATOM 0 HG11 VAL A 50 4.045 0.035 -0.805 1.00 22.32 H new ATOM 0 HG12 VAL A 50 3.018 0.621 0.526 1.00 22.32 H new ATOM 0 HG13 VAL A 50 2.479 0.802 -1.161 1.00 22.32 H new ATOM 0 HG21 VAL A 50 5.256 1.651 -2.279 1.00 61.24 H new ATOM 0 HG22 VAL A 50 3.764 2.528 -2.694 1.00 61.24 H new ATOM 0 HG23 VAL A 50 5.146 3.404 -1.994 1.00 61.24 H new ATOM 852 N VAL A 51 1.180 2.896 1.297 1.00 21.51 N ATOM 853 CA VAL A 51 0.455 2.509 2.506 1.00 21.34 C ATOM 854 C VAL A 51 0.470 0.977 2.614 1.00 3.45 C ATOM 855 O VAL A 51 0.203 0.294 1.639 1.00 0.20 O ATOM 856 CB VAL A 51 -1.026 3.027 2.452 1.00 14.24 C ATOM 857 CG1 VAL A 51 -1.868 2.473 3.617 1.00 75.20 C ATOM 858 CG2 VAL A 51 -1.068 4.568 2.433 1.00 1.12 C ATOM 0 H VAL A 51 0.580 2.998 0.479 1.00 21.51 H new ATOM 0 HA VAL A 51 0.937 2.953 3.377 1.00 21.34 H new ATOM 0 HB VAL A 51 -1.466 2.658 1.525 1.00 14.24 H new ATOM 0 HG11 VAL A 51 -2.886 2.855 3.544 1.00 75.20 H new ATOM 0 HG12 VAL A 51 -1.884 1.384 3.569 1.00 75.20 H new ATOM 0 HG13 VAL A 51 -1.430 2.787 4.564 1.00 75.20 H new ATOM 0 HG21 VAL A 51 -2.104 4.903 2.395 1.00 1.12 H new ATOM 0 HG22 VAL A 51 -0.593 4.956 3.334 1.00 1.12 H new ATOM 0 HG23 VAL A 51 -0.536 4.936 1.556 1.00 1.12 H new ATOM 868 N LEU A 52 0.819 0.456 3.795 1.00 2.42 N ATOM 869 CA LEU A 52 0.824 -0.987 4.074 1.00 42.20 C ATOM 870 C LEU A 52 -0.131 -1.275 5.256 1.00 14.21 C ATOM 871 O LEU A 52 0.240 -1.136 6.425 1.00 44.11 O ATOM 872 CB LEU A 52 2.282 -1.439 4.383 1.00 41.51 C ATOM 873 CG LEU A 52 3.315 -1.349 3.199 1.00 34.22 C ATOM 874 CD1 LEU A 52 4.726 -1.745 3.655 1.00 63.40 C ATOM 875 CD2 LEU A 52 2.886 -2.216 2.001 1.00 42.43 C ATOM 0 H LEU A 52 1.108 1.026 4.590 1.00 2.42 H new ATOM 0 HA LEU A 52 0.472 -1.552 3.211 1.00 42.20 H new ATOM 0 HB2 LEU A 52 2.658 -0.835 5.209 1.00 41.51 H new ATOM 0 HB3 LEU A 52 2.252 -2.472 4.731 1.00 41.51 H new ATOM 0 HG LEU A 52 3.334 -0.308 2.877 1.00 34.22 H new ATOM 0 HD11 LEU A 52 5.414 -1.672 2.813 1.00 63.40 H new ATOM 0 HD12 LEU A 52 5.053 -1.075 4.450 1.00 63.40 H new ATOM 0 HD13 LEU A 52 4.714 -2.770 4.026 1.00 63.40 H new ATOM 0 HD21 LEU A 52 3.625 -2.127 1.204 1.00 42.43 H new ATOM 0 HD22 LEU A 52 2.813 -3.258 2.313 1.00 42.43 H new ATOM 0 HD23 LEU A 52 1.916 -1.878 1.636 1.00 42.43 H new ATOM 887 N VAL A 53 -1.385 -1.645 4.921 1.00 70.32 N ATOM 888 CA VAL A 53 -2.459 -1.911 5.900 1.00 53.15 C ATOM 889 C VAL A 53 -2.393 -3.376 6.378 1.00 14.23 C ATOM 890 O VAL A 53 -2.753 -4.305 5.632 1.00 55.40 O ATOM 891 CB VAL A 53 -3.896 -1.614 5.306 1.00 3.34 C ATOM 892 CG1 VAL A 53 -4.999 -1.726 6.395 1.00 60.05 C ATOM 893 CG2 VAL A 53 -3.952 -0.237 4.607 1.00 73.52 C ATOM 0 H VAL A 53 -1.683 -1.769 3.953 1.00 70.32 H new ATOM 0 HA VAL A 53 -2.299 -1.238 6.742 1.00 53.15 H new ATOM 0 HB VAL A 53 -4.091 -2.377 4.552 1.00 3.34 H new ATOM 0 HG11 VAL A 53 -5.972 -1.516 5.951 1.00 60.05 H new ATOM 0 HG12 VAL A 53 -5.000 -2.734 6.810 1.00 60.05 H new ATOM 0 HG13 VAL A 53 -4.800 -1.007 7.190 1.00 60.05 H new ATOM 0 HG21 VAL A 53 -4.954 -0.070 4.212 1.00 73.52 H new ATOM 0 HG22 VAL A 53 -3.710 0.546 5.326 1.00 73.52 H new ATOM 0 HG23 VAL A 53 -3.232 -0.215 3.789 1.00 73.52 H new ATOM 903 N GLY A 54 -1.907 -3.551 7.620 1.00 4.24 N ATOM 904 CA GLY A 54 -1.851 -4.853 8.291 1.00 54.20 C ATOM 905 C GLY A 54 -1.041 -5.923 7.560 1.00 22.21 C ATOM 906 O GLY A 54 -1.452 -7.090 7.517 1.00 34.53 O ATOM 0 H GLY A 54 -1.541 -2.785 8.186 1.00 4.24 H new ATOM 0 HA2 GLY A 54 -1.427 -4.714 9.286 1.00 54.20 H new ATOM 0 HA3 GLY A 54 -2.869 -5.219 8.427 1.00 54.20 H new ATOM 910 N VAL A 55 0.116 -5.532 7.000 1.00 10.14 N ATOM 911 CA VAL A 55 1.003 -6.459 6.259 1.00 21.25 C ATOM 912 C VAL A 55 1.995 -7.134 7.214 1.00 14.42 C ATOM 913 O VAL A 55 2.078 -6.785 8.406 1.00 14.31 O ATOM 914 CB VAL A 55 1.789 -5.718 5.105 1.00 30.24 C ATOM 915 CG1 VAL A 55 0.810 -5.024 4.124 1.00 50.41 C ATOM 916 CG2 VAL A 55 2.830 -4.726 5.684 1.00 4.33 C ATOM 0 H VAL A 55 0.465 -4.575 7.044 1.00 10.14 H new ATOM 0 HA VAL A 55 0.369 -7.219 5.803 1.00 21.25 H new ATOM 0 HB VAL A 55 2.342 -6.466 4.536 1.00 30.24 H new ATOM 0 HG11 VAL A 55 1.376 -4.522 3.340 1.00 50.41 H new ATOM 0 HG12 VAL A 55 0.153 -5.770 3.676 1.00 50.41 H new ATOM 0 HG13 VAL A 55 0.211 -4.292 4.665 1.00 50.41 H new ATOM 0 HG21 VAL A 55 3.355 -4.231 4.867 1.00 4.33 H new ATOM 0 HG22 VAL A 55 2.321 -3.979 6.293 1.00 4.33 H new ATOM 0 HG23 VAL A 55 3.547 -5.269 6.300 1.00 4.33 H new ATOM 926 N SER A 56 2.743 -8.107 6.676 1.00 34.53 N ATOM 927 CA SER A 56 3.874 -8.712 7.368 1.00 34.32 C ATOM 928 C SER A 56 5.033 -7.701 7.424 1.00 2.51 C ATOM 929 O SER A 56 5.246 -6.938 6.465 1.00 4.02 O ATOM 930 CB SER A 56 4.337 -9.999 6.639 1.00 35.40 C ATOM 931 OG SER A 56 5.497 -10.561 7.246 1.00 4.31 O ATOM 0 H SER A 56 2.575 -8.493 5.747 1.00 34.53 H new ATOM 0 HA SER A 56 3.567 -8.981 8.379 1.00 34.32 H new ATOM 0 HB2 SER A 56 3.530 -10.732 6.648 1.00 35.40 H new ATOM 0 HB3 SER A 56 4.548 -9.770 5.595 1.00 35.40 H new ATOM 0 HG SER A 56 5.760 -11.372 6.762 1.00 4.31 H new ATOM 937 N GLU A 57 5.778 -7.729 8.540 1.00 42.43 N ATOM 938 CA GLU A 57 6.996 -6.927 8.740 1.00 70.12 C ATOM 939 C GLU A 57 8.041 -7.264 7.655 1.00 35.02 C ATOM 940 O GLU A 57 8.786 -6.401 7.216 1.00 3.10 O ATOM 941 CB GLU A 57 7.585 -7.198 10.151 1.00 24.55 C ATOM 942 CG GLU A 57 7.913 -8.683 10.431 1.00 14.13 C ATOM 943 CD GLU A 57 8.682 -8.895 11.742 1.00 74.14 C ATOM 944 OE1 GLU A 57 9.928 -8.849 11.723 1.00 51.44 O ATOM 945 OE2 GLU A 57 8.048 -9.092 12.798 1.00 13.35 O ATOM 0 H GLU A 57 5.548 -8.318 9.341 1.00 42.43 H new ATOM 0 HA GLU A 57 6.738 -5.871 8.661 1.00 70.12 H new ATOM 0 HB2 GLU A 57 8.494 -6.609 10.271 1.00 24.55 H new ATOM 0 HB3 GLU A 57 6.876 -6.847 10.901 1.00 24.55 H new ATOM 0 HG2 GLU A 57 6.985 -9.253 10.465 1.00 14.13 H new ATOM 0 HG3 GLU A 57 8.501 -9.081 9.604 1.00 14.13 H new ATOM 952 N LYS A 58 8.038 -8.541 7.218 1.00 13.11 N ATOM 953 CA LYS A 58 8.979 -9.076 6.216 1.00 30.02 C ATOM 954 C LYS A 58 8.731 -8.437 4.837 1.00 1.25 C ATOM 955 O LYS A 58 9.678 -8.123 4.107 1.00 51.24 O ATOM 956 CB LYS A 58 8.833 -10.620 6.135 1.00 3.23 C ATOM 957 CG LYS A 58 9.010 -11.348 7.488 1.00 74.31 C ATOM 958 CD LYS A 58 10.406 -11.121 8.130 1.00 22.14 C ATOM 959 CE LYS A 58 10.556 -11.843 9.486 1.00 63.55 C ATOM 960 NZ LYS A 58 10.399 -13.319 9.355 1.00 23.33 N ATOM 0 H LYS A 58 7.373 -9.237 7.556 1.00 13.11 H new ATOM 0 HA LYS A 58 9.996 -8.829 6.522 1.00 30.02 H new ATOM 0 HB2 LYS A 58 7.849 -10.860 5.733 1.00 3.23 H new ATOM 0 HB3 LYS A 58 9.568 -11.006 5.429 1.00 3.23 H new ATOM 0 HG2 LYS A 58 8.240 -11.007 8.180 1.00 74.31 H new ATOM 0 HG3 LYS A 58 8.855 -12.417 7.341 1.00 74.31 H new ATOM 0 HD2 LYS A 58 11.179 -11.474 7.447 1.00 22.14 H new ATOM 0 HD3 LYS A 58 10.568 -10.052 8.271 1.00 22.14 H new ATOM 0 HE2 LYS A 58 11.535 -11.619 9.909 1.00 63.55 H new ATOM 0 HE3 LYS A 58 9.812 -11.460 10.184 1.00 63.55 H new ATOM 0 HZ1 LYS A 58 10.640 -13.775 10.258 1.00 23.33 H new ATOM 0 HZ2 LYS A 58 9.414 -13.543 9.106 1.00 23.33 H new ATOM 0 HZ3 LYS A 58 11.033 -13.671 8.609 1.00 23.33 H new ATOM 974 N LEU A 59 7.434 -8.250 4.509 1.00 1.22 N ATOM 975 CA LEU A 59 6.992 -7.600 3.260 1.00 12.24 C ATOM 976 C LEU A 59 7.281 -6.095 3.315 1.00 62.03 C ATOM 977 O LEU A 59 7.695 -5.508 2.328 1.00 54.45 O ATOM 978 CB LEU A 59 5.478 -7.854 3.022 1.00 23.12 C ATOM 979 CG LEU A 59 5.083 -9.334 2.746 1.00 33.31 C ATOM 980 CD1 LEU A 59 3.562 -9.487 2.596 1.00 53.41 C ATOM 981 CD2 LEU A 59 5.829 -9.882 1.512 1.00 54.21 C ATOM 0 H LEU A 59 6.663 -8.547 5.107 1.00 1.22 H new ATOM 0 HA LEU A 59 7.548 -8.031 2.427 1.00 12.24 H new ATOM 0 HB2 LEU A 59 4.927 -7.506 3.896 1.00 23.12 H new ATOM 0 HB3 LEU A 59 5.154 -7.246 2.178 1.00 23.12 H new ATOM 0 HG LEU A 59 5.386 -9.928 3.608 1.00 33.31 H new ATOM 0 HD11 LEU A 59 3.319 -10.532 2.404 1.00 53.41 H new ATOM 0 HD12 LEU A 59 3.071 -9.163 3.514 1.00 53.41 H new ATOM 0 HD13 LEU A 59 3.215 -8.875 1.764 1.00 53.41 H new ATOM 0 HD21 LEU A 59 5.536 -10.918 1.340 1.00 54.21 H new ATOM 0 HD22 LEU A 59 5.575 -9.283 0.638 1.00 54.21 H new ATOM 0 HD23 LEU A 59 6.904 -9.833 1.685 1.00 54.21 H new ATOM 993 N LEU A 60 7.078 -5.504 4.502 1.00 10.05 N ATOM 994 CA LEU A 60 7.340 -4.077 4.759 1.00 31.42 C ATOM 995 C LEU A 60 8.812 -3.732 4.476 1.00 54.13 C ATOM 996 O LEU A 60 9.115 -2.753 3.778 1.00 52.43 O ATOM 997 CB LEU A 60 6.928 -3.759 6.230 1.00 34.44 C ATOM 998 CG LEU A 60 7.102 -2.279 6.742 1.00 14.12 C ATOM 999 CD1 LEU A 60 6.065 -1.947 7.831 1.00 43.03 C ATOM 1000 CD2 LEU A 60 8.535 -1.995 7.278 1.00 61.53 C ATOM 0 H LEU A 60 6.725 -6.005 5.317 1.00 10.05 H new ATOM 0 HA LEU A 60 6.748 -3.456 4.087 1.00 31.42 H new ATOM 0 HB2 LEU A 60 5.880 -4.033 6.350 1.00 34.44 H new ATOM 0 HB3 LEU A 60 7.505 -4.410 6.887 1.00 34.44 H new ATOM 0 HG LEU A 60 6.939 -1.635 5.878 1.00 14.12 H new ATOM 0 HD11 LEU A 60 6.207 -0.920 8.167 1.00 43.03 H new ATOM 0 HD12 LEU A 60 5.060 -2.060 7.423 1.00 43.03 H new ATOM 0 HD13 LEU A 60 6.193 -2.626 8.674 1.00 43.03 H new ATOM 0 HD21 LEU A 60 8.598 -0.961 7.617 1.00 61.53 H new ATOM 0 HD22 LEU A 60 8.751 -2.664 8.111 1.00 61.53 H new ATOM 0 HD23 LEU A 60 9.261 -2.160 6.482 1.00 61.53 H new ATOM 1012 N GLN A 61 9.706 -4.570 5.023 1.00 4.33 N ATOM 1013 CA GLN A 61 11.162 -4.439 4.852 1.00 20.13 C ATOM 1014 C GLN A 61 11.570 -4.652 3.380 1.00 2.25 C ATOM 1015 O GLN A 61 12.470 -3.965 2.871 1.00 22.14 O ATOM 1016 CB GLN A 61 11.886 -5.441 5.792 1.00 22.25 C ATOM 1017 CG GLN A 61 11.620 -5.180 7.293 1.00 72.54 C ATOM 1018 CD GLN A 61 12.052 -6.336 8.207 1.00 32.53 C ATOM 1019 OE1 GLN A 61 13.024 -7.040 7.935 1.00 54.31 O ATOM 1020 NE2 GLN A 61 11.299 -6.568 9.274 1.00 42.14 N ATOM 0 H GLN A 61 9.436 -5.365 5.602 1.00 4.33 H new ATOM 0 HA GLN A 61 11.462 -3.427 5.122 1.00 20.13 H new ATOM 0 HB2 GLN A 61 11.567 -6.454 5.545 1.00 22.25 H new ATOM 0 HB3 GLN A 61 12.959 -5.390 5.607 1.00 22.25 H new ATOM 0 HG2 GLN A 61 12.147 -4.274 7.594 1.00 72.54 H new ATOM 0 HG3 GLN A 61 10.556 -4.993 7.437 1.00 72.54 H new ATOM 0 HE21 GLN A 61 10.499 -5.967 9.474 1.00 42.14 H new ATOM 0 HE22 GLN A 61 11.520 -7.347 9.894 1.00 42.14 H new ATOM 1029 N LYS A 62 10.873 -5.579 2.699 1.00 22.03 N ATOM 1030 CA LYS A 62 11.136 -5.894 1.290 1.00 31.32 C ATOM 1031 C LYS A 62 10.750 -4.708 0.372 1.00 45.33 C ATOM 1032 O LYS A 62 11.504 -4.353 -0.526 1.00 54.12 O ATOM 1033 CB LYS A 62 10.393 -7.191 0.878 1.00 52.44 C ATOM 1034 CG LYS A 62 10.815 -7.732 -0.505 1.00 62.21 C ATOM 1035 CD LYS A 62 10.092 -9.043 -0.884 1.00 54.41 C ATOM 1036 CE LYS A 62 10.594 -9.613 -2.221 1.00 31.14 C ATOM 1037 NZ LYS A 62 12.066 -9.845 -2.219 1.00 24.14 N ATOM 0 H LYS A 62 10.117 -6.126 3.110 1.00 22.03 H new ATOM 0 HA LYS A 62 12.206 -6.064 1.170 1.00 31.32 H new ATOM 0 HB2 LYS A 62 10.575 -7.959 1.630 1.00 52.44 H new ATOM 0 HB3 LYS A 62 9.320 -6.999 0.872 1.00 52.44 H new ATOM 0 HG2 LYS A 62 10.608 -6.977 -1.263 1.00 62.21 H new ATOM 0 HG3 LYS A 62 11.892 -7.902 -0.510 1.00 62.21 H new ATOM 0 HD2 LYS A 62 10.243 -9.781 -0.096 1.00 54.41 H new ATOM 0 HD3 LYS A 62 9.019 -8.860 -0.948 1.00 54.41 H new ATOM 0 HE2 LYS A 62 10.081 -10.552 -2.429 1.00 31.14 H new ATOM 0 HE3 LYS A 62 10.338 -8.924 -3.026 1.00 31.14 H new ATOM 0 HZ1 LYS A 62 12.325 -10.440 -3.032 1.00 24.14 H new ATOM 0 HZ2 LYS A 62 12.561 -8.933 -2.286 1.00 24.14 H new ATOM 0 HZ3 LYS A 62 12.341 -10.325 -1.338 1.00 24.14 H new ATOM 1051 N ILE A 63 9.591 -4.078 0.647 1.00 1.12 N ATOM 1052 CA ILE A 63 9.081 -2.932 -0.135 1.00 2.54 C ATOM 1053 C ILE A 63 10.027 -1.698 0.010 1.00 5.13 C ATOM 1054 O ILE A 63 10.325 -1.028 -0.985 1.00 44.42 O ATOM 1055 CB ILE A 63 7.561 -2.598 0.256 1.00 20.24 C ATOM 1056 CG1 ILE A 63 6.534 -3.409 -0.620 1.00 42.02 C ATOM 1057 CG2 ILE A 63 7.226 -1.086 0.180 1.00 75.04 C ATOM 1058 CD1 ILE A 63 6.603 -4.922 -0.510 1.00 0.11 C ATOM 0 H ILE A 63 8.981 -4.349 1.418 1.00 1.12 H new ATOM 0 HA ILE A 63 9.077 -3.204 -1.191 1.00 2.54 H new ATOM 0 HB ILE A 63 7.464 -2.907 1.297 1.00 20.24 H new ATOM 0 HG12 ILE A 63 5.527 -3.092 -0.348 1.00 42.02 H new ATOM 0 HG13 ILE A 63 6.684 -3.135 -1.664 1.00 42.02 H new ATOM 0 HG21 ILE A 63 6.183 -0.930 0.456 1.00 75.04 H new ATOM 0 HG22 ILE A 63 7.870 -0.536 0.866 1.00 75.04 H new ATOM 0 HG23 ILE A 63 7.389 -0.728 -0.836 1.00 75.04 H new ATOM 0 HD11 ILE A 63 5.849 -5.369 -1.158 1.00 0.11 H new ATOM 0 HD12 ILE A 63 7.592 -5.264 -0.815 1.00 0.11 H new ATOM 0 HD13 ILE A 63 6.418 -5.221 0.522 1.00 0.11 H new ATOM 1070 N LYS A 64 10.537 -1.431 1.234 1.00 30.14 N ATOM 1071 CA LYS A 64 11.418 -0.261 1.471 1.00 14.13 C ATOM 1072 C LYS A 64 12.847 -0.471 0.904 1.00 4.22 C ATOM 1073 O LYS A 64 13.491 0.504 0.503 1.00 4.22 O ATOM 1074 CB LYS A 64 11.427 0.154 2.985 1.00 72.51 C ATOM 1075 CG LYS A 64 11.933 -0.889 4.010 1.00 2.20 C ATOM 1076 CD LYS A 64 13.482 -0.945 4.162 1.00 12.45 C ATOM 1077 CE LYS A 64 13.929 -1.989 5.194 1.00 32.13 C ATOM 1078 NZ LYS A 64 15.405 -2.070 5.328 1.00 55.33 N ATOM 0 H LYS A 64 10.358 -1.999 2.062 1.00 30.14 H new ATOM 0 HA LYS A 64 10.996 0.575 0.914 1.00 14.13 H new ATOM 0 HB2 LYS A 64 12.042 1.049 3.085 1.00 72.51 H new ATOM 0 HB3 LYS A 64 10.411 0.433 3.263 1.00 72.51 H new ATOM 0 HG2 LYS A 64 11.493 -0.668 4.982 1.00 2.20 H new ATOM 0 HG3 LYS A 64 11.574 -1.875 3.714 1.00 2.20 H new ATOM 0 HD2 LYS A 64 13.931 -1.177 3.196 1.00 12.45 H new ATOM 0 HD3 LYS A 64 13.851 0.037 4.458 1.00 12.45 H new ATOM 0 HE2 LYS A 64 13.494 -1.745 6.163 1.00 32.13 H new ATOM 0 HE3 LYS A 64 13.541 -2.966 4.907 1.00 32.13 H new ATOM 0 HZ1 LYS A 64 15.650 -2.790 6.037 1.00 55.33 H new ATOM 0 HZ2 LYS A 64 15.823 -2.330 4.412 1.00 55.33 H new ATOM 0 HZ3 LYS A 64 15.777 -1.147 5.629 1.00 55.33 H new ATOM 1092 N GLN A 65 13.344 -1.737 0.870 1.00 51.41 N ATOM 1093 CA GLN A 65 14.725 -2.027 0.386 1.00 72.51 C ATOM 1094 C GLN A 65 14.781 -2.183 -1.152 1.00 53.03 C ATOM 1095 O GLN A 65 15.797 -1.851 -1.774 1.00 73.22 O ATOM 1096 CB GLN A 65 15.325 -3.282 1.080 1.00 42.14 C ATOM 1097 CG GLN A 65 14.722 -4.634 0.635 1.00 1.44 C ATOM 1098 CD GLN A 65 15.404 -5.862 1.233 1.00 32.20 C ATOM 1099 OE1 GLN A 65 15.483 -6.907 0.589 1.00 75.33 O ATOM 1100 NE2 GLN A 65 15.850 -5.787 2.481 1.00 10.44 N ATOM 0 H GLN A 65 12.821 -2.561 1.166 1.00 51.41 H new ATOM 0 HA GLN A 65 15.334 -1.164 0.656 1.00 72.51 H new ATOM 0 HB2 GLN A 65 16.399 -3.302 0.892 1.00 42.14 H new ATOM 0 HB3 GLN A 65 15.191 -3.180 2.157 1.00 42.14 H new ATOM 0 HG2 GLN A 65 13.666 -4.653 0.906 1.00 1.44 H new ATOM 0 HG3 GLN A 65 14.773 -4.699 -0.452 1.00 1.44 H new ATOM 0 HE21 GLN A 65 15.775 -4.911 2.998 1.00 10.44 H new ATOM 0 HE22 GLN A 65 16.268 -6.606 2.923 1.00 10.44 H new ATOM 1109 N GLU A 66 13.690 -2.698 -1.755 1.00 3.12 N ATOM 1110 CA GLU A 66 13.627 -2.979 -3.205 1.00 33.34 C ATOM 1111 C GLU A 66 13.061 -1.767 -3.975 1.00 63.32 C ATOM 1112 O GLU A 66 13.673 -1.290 -4.942 1.00 0.32 O ATOM 1113 CB GLU A 66 12.737 -4.223 -3.472 1.00 63.23 C ATOM 1114 CG GLU A 66 13.252 -5.564 -2.902 1.00 41.32 C ATOM 1115 CD GLU A 66 14.480 -6.128 -3.644 1.00 1.42 C ATOM 1116 OE1 GLU A 66 14.304 -6.689 -4.750 1.00 73.51 O ATOM 1117 OE2 GLU A 66 15.615 -6.022 -3.130 1.00 0.45 O ATOM 0 H GLU A 66 12.832 -2.930 -1.254 1.00 3.12 H new ATOM 0 HA GLU A 66 14.640 -3.176 -3.555 1.00 33.34 H new ATOM 0 HB2 GLU A 66 11.747 -4.032 -3.057 1.00 63.23 H new ATOM 0 HB3 GLU A 66 12.615 -4.333 -4.550 1.00 63.23 H new ATOM 0 HG2 GLU A 66 13.506 -5.427 -1.851 1.00 41.32 H new ATOM 0 HG3 GLU A 66 12.447 -6.298 -2.942 1.00 41.32 H new ATOM 1124 N ALA A 67 11.886 -1.279 -3.533 1.00 1.44 N ATOM 1125 CA ALA A 67 11.146 -0.197 -4.226 1.00 31.42 C ATOM 1126 C ALA A 67 11.615 1.207 -3.791 1.00 13.14 C ATOM 1127 O ALA A 67 11.458 2.169 -4.557 1.00 31.11 O ATOM 1128 CB ALA A 67 9.642 -0.372 -3.980 1.00 0.53 C ATOM 0 H ALA A 67 11.422 -1.619 -2.691 1.00 1.44 H new ATOM 0 HA ALA A 67 11.354 -0.275 -5.293 1.00 31.42 H new ATOM 0 HB1 ALA A 67 9.095 0.422 -4.488 1.00 0.53 H new ATOM 0 HB2 ALA A 67 9.320 -1.339 -4.367 1.00 0.53 H new ATOM 0 HB3 ALA A 67 9.440 -0.324 -2.910 1.00 0.53 H new ATOM 1134 N ASN A 68 12.166 1.308 -2.557 1.00 24.14 N ATOM 1135 CA ASN A 68 12.756 2.562 -2.010 1.00 74.14 C ATOM 1136 C ASN A 68 11.708 3.699 -1.913 1.00 74.05 C ATOM 1137 O ASN A 68 11.722 4.655 -2.693 1.00 21.05 O ATOM 1138 CB ASN A 68 14.037 2.978 -2.806 1.00 14.25 C ATOM 1139 CG ASN A 68 14.735 4.254 -2.298 1.00 71.41 C ATOM 1140 OD1 ASN A 68 14.638 4.620 -1.127 1.00 30.20 O ATOM 1141 ND2 ASN A 68 15.473 4.916 -3.176 1.00 34.33 N ATOM 0 H ASN A 68 12.216 0.522 -1.909 1.00 24.14 H new ATOM 0 HA ASN A 68 13.075 2.363 -0.987 1.00 74.14 H new ATOM 0 HB2 ASN A 68 14.750 2.154 -2.773 1.00 14.25 H new ATOM 0 HB3 ASN A 68 13.765 3.123 -3.852 1.00 14.25 H new ATOM 0 HD21 ASN A 68 15.980 5.753 -2.888 1.00 34.33 H new ATOM 0 HD22 ASN A 68 15.535 4.589 -4.140 1.00 34.33 H new ATOM 1148 N VAL A 69 10.752 3.529 -0.981 1.00 74.41 N ATOM 1149 CA VAL A 69 9.598 4.449 -0.791 1.00 62.15 C ATOM 1150 C VAL A 69 9.433 4.863 0.682 1.00 35.33 C ATOM 1151 O VAL A 69 10.068 4.288 1.578 1.00 31.13 O ATOM 1152 CB VAL A 69 8.261 3.771 -1.262 1.00 43.10 C ATOM 1153 CG1 VAL A 69 8.254 3.545 -2.780 1.00 52.04 C ATOM 1154 CG2 VAL A 69 8.017 2.442 -0.502 1.00 72.02 C ATOM 0 H VAL A 69 10.752 2.744 -0.329 1.00 74.41 H new ATOM 0 HA VAL A 69 9.805 5.335 -1.392 1.00 62.15 H new ATOM 0 HB VAL A 69 7.443 4.451 -1.026 1.00 43.10 H new ATOM 0 HG11 VAL A 69 7.316 3.075 -3.073 1.00 52.04 H new ATOM 0 HG12 VAL A 69 8.355 4.503 -3.291 1.00 52.04 H new ATOM 0 HG13 VAL A 69 9.086 2.897 -3.055 1.00 52.04 H new ATOM 0 HG21 VAL A 69 7.086 1.992 -0.846 1.00 72.02 H new ATOM 0 HG22 VAL A 69 8.843 1.757 -0.693 1.00 72.02 H new ATOM 0 HG23 VAL A 69 7.951 2.641 0.568 1.00 72.02 H new ATOM 1164 N GLN A 70 8.561 5.866 0.903 1.00 40.13 N ATOM 1165 CA GLN A 70 8.056 6.204 2.237 1.00 44.32 C ATOM 1166 C GLN A 70 6.958 5.195 2.601 1.00 31.54 C ATOM 1167 O GLN A 70 5.898 5.156 1.962 1.00 3.54 O ATOM 1168 CB GLN A 70 7.501 7.658 2.294 1.00 42.14 C ATOM 1169 CG GLN A 70 8.576 8.765 2.332 1.00 53.20 C ATOM 1170 CD GLN A 70 9.393 8.888 1.045 1.00 43.23 C ATOM 1171 OE1 GLN A 70 10.437 8.253 0.879 1.00 2.10 O ATOM 1172 NE2 GLN A 70 8.927 9.698 0.118 1.00 22.24 N ATOM 0 H GLN A 70 8.191 6.460 0.161 1.00 40.13 H new ATOM 0 HA GLN A 70 8.875 6.152 2.954 1.00 44.32 H new ATOM 0 HB2 GLN A 70 6.863 7.822 1.426 1.00 42.14 H new ATOM 0 HB3 GLN A 70 6.869 7.755 3.177 1.00 42.14 H new ATOM 0 HG2 GLN A 70 8.091 9.720 2.534 1.00 53.20 H new ATOM 0 HG3 GLN A 70 9.254 8.569 3.163 1.00 53.20 H new ATOM 0 HE21 GLN A 70 8.061 10.213 0.279 1.00 22.24 H new ATOM 0 HE22 GLN A 70 9.432 9.811 -0.761 1.00 22.24 H new ATOM 1181 N VAL A 71 7.243 4.389 3.624 1.00 50.51 N ATOM 1182 CA VAL A 71 6.353 3.332 4.114 1.00 51.43 C ATOM 1183 C VAL A 71 5.516 3.859 5.288 1.00 42.43 C ATOM 1184 O VAL A 71 6.062 4.393 6.263 1.00 62.44 O ATOM 1185 CB VAL A 71 7.189 2.084 4.583 1.00 2.41 C ATOM 1186 CG1 VAL A 71 6.306 1.039 5.306 1.00 75.33 C ATOM 1187 CG2 VAL A 71 7.942 1.444 3.390 1.00 23.24 C ATOM 0 H VAL A 71 8.116 4.453 4.147 1.00 50.51 H new ATOM 0 HA VAL A 71 5.692 3.030 3.302 1.00 51.43 H new ATOM 0 HB VAL A 71 7.927 2.438 5.303 1.00 2.41 H new ATOM 0 HG11 VAL A 71 6.921 0.193 5.614 1.00 75.33 H new ATOM 0 HG12 VAL A 71 5.849 1.494 6.185 1.00 75.33 H new ATOM 0 HG13 VAL A 71 5.525 0.692 4.630 1.00 75.33 H new ATOM 0 HG21 VAL A 71 8.513 0.583 3.739 1.00 23.24 H new ATOM 0 HG22 VAL A 71 7.223 1.121 2.637 1.00 23.24 H new ATOM 0 HG23 VAL A 71 8.621 2.176 2.953 1.00 23.24 H new ATOM 1197 N TYR A 72 4.186 3.720 5.173 1.00 64.10 N ATOM 1198 CA TYR A 72 3.236 4.055 6.239 1.00 23.23 C ATOM 1199 C TYR A 72 2.470 2.783 6.589 1.00 64.11 C ATOM 1200 O TYR A 72 1.551 2.394 5.864 1.00 54.33 O ATOM 1201 CB TYR A 72 2.259 5.169 5.763 1.00 63.31 C ATOM 1202 CG TYR A 72 2.980 6.434 5.295 1.00 72.53 C ATOM 1203 CD1 TYR A 72 3.423 6.560 3.977 1.00 44.40 C ATOM 1204 CD2 TYR A 72 3.250 7.485 6.177 1.00 25.23 C ATOM 1205 CE1 TYR A 72 4.100 7.680 3.561 1.00 20.34 C ATOM 1206 CE2 TYR A 72 3.935 8.609 5.758 1.00 10.12 C ATOM 1207 CZ TYR A 72 4.357 8.698 4.450 1.00 14.11 C ATOM 1208 OH TYR A 72 5.055 9.809 4.027 1.00 44.03 O ATOM 0 H TYR A 72 3.738 3.368 4.327 1.00 64.10 H new ATOM 0 HA TYR A 72 3.762 4.433 7.116 1.00 23.23 H new ATOM 0 HB2 TYR A 72 1.646 4.784 4.948 1.00 63.31 H new ATOM 0 HB3 TYR A 72 1.582 5.424 6.578 1.00 63.31 H new ATOM 0 HD1 TYR A 72 3.230 5.764 3.273 1.00 44.40 H new ATOM 0 HD2 TYR A 72 2.918 7.417 7.202 1.00 25.23 H new ATOM 0 HE1 TYR A 72 4.431 7.762 2.536 1.00 20.34 H new ATOM 0 HE2 TYR A 72 4.138 9.412 6.451 1.00 10.12 H new ATOM 0 HH TYR A 72 5.153 10.437 4.773 1.00 44.03 H new ATOM 1218 N ARG A 73 2.868 2.124 7.690 1.00 10.02 N ATOM 1219 CA ARG A 73 2.195 0.914 8.148 1.00 33.25 C ATOM 1220 C ARG A 73 0.933 1.347 8.891 1.00 70.54 C ATOM 1221 O ARG A 73 1.005 1.880 10.002 1.00 44.22 O ATOM 1222 CB ARG A 73 3.106 0.052 9.061 1.00 41.42 C ATOM 1223 CG ARG A 73 2.424 -1.256 9.518 1.00 22.10 C ATOM 1224 CD ARG A 73 3.292 -2.143 10.416 1.00 3.24 C ATOM 1225 NE ARG A 73 2.540 -3.340 10.854 1.00 41.34 N ATOM 1226 CZ ARG A 73 3.065 -4.551 11.096 1.00 45.54 C ATOM 1227 NH1 ARG A 73 4.360 -4.784 10.944 1.00 21.40 N ATOM 1228 NH2 ARG A 73 2.279 -5.524 11.504 1.00 15.32 N ATOM 0 H ARG A 73 3.652 2.415 8.274 1.00 10.02 H new ATOM 0 HA ARG A 73 1.945 0.287 7.292 1.00 33.25 H new ATOM 0 HB2 ARG A 73 4.025 -0.189 8.527 1.00 41.42 H new ATOM 0 HB3 ARG A 73 3.390 0.634 9.937 1.00 41.42 H new ATOM 0 HG2 ARG A 73 1.507 -1.006 10.052 1.00 22.10 H new ATOM 0 HG3 ARG A 73 2.133 -1.827 8.636 1.00 22.10 H new ATOM 0 HD2 ARG A 73 4.189 -2.448 9.876 1.00 3.24 H new ATOM 0 HD3 ARG A 73 3.621 -1.576 11.287 1.00 3.24 H new ATOM 0 HE ARG A 73 1.534 -3.235 10.983 1.00 41.34 H new ATOM 0 HH11 ARG A 73 4.980 -4.035 10.637 1.00 21.40 H new ATOM 0 HH12 ARG A 73 4.737 -5.713 11.134 1.00 21.40 H new ATOM 0 HH21 ARG A 73 1.282 -5.354 11.633 1.00 15.32 H new ATOM 0 HH22 ARG A 73 2.667 -6.449 11.691 1.00 15.32 H new ATOM 1242 N VAL A 74 -0.210 1.137 8.248 1.00 64.44 N ATOM 1243 CA VAL A 74 -1.505 1.587 8.748 1.00 43.51 C ATOM 1244 C VAL A 74 -2.193 0.447 9.514 1.00 52.23 C ATOM 1245 O VAL A 74 -2.321 -0.677 9.016 1.00 23.44 O ATOM 1246 CB VAL A 74 -2.369 2.105 7.539 1.00 12.15 C ATOM 1247 CG1 VAL A 74 -3.860 2.283 7.895 1.00 3.24 C ATOM 1248 CG2 VAL A 74 -1.767 3.433 7.001 1.00 40.14 C ATOM 0 H VAL A 74 -0.265 0.645 7.356 1.00 64.44 H new ATOM 0 HA VAL A 74 -1.380 2.413 9.449 1.00 43.51 H new ATOM 0 HB VAL A 74 -2.334 1.342 6.761 1.00 12.15 H new ATOM 0 HG11 VAL A 74 -4.403 2.642 7.020 1.00 3.24 H new ATOM 0 HG12 VAL A 74 -4.275 1.326 8.212 1.00 3.24 H new ATOM 0 HG13 VAL A 74 -3.957 3.007 8.704 1.00 3.24 H new ATOM 0 HG21 VAL A 74 -2.366 3.791 6.164 1.00 40.14 H new ATOM 0 HG22 VAL A 74 -1.768 4.181 7.794 1.00 40.14 H new ATOM 0 HG23 VAL A 74 -0.744 3.260 6.667 1.00 40.14 H new ATOM 1258 N THR A 75 -2.604 0.773 10.739 1.00 4.34 N ATOM 1259 CA THR A 75 -3.313 -0.125 11.659 1.00 64.44 C ATOM 1260 C THR A 75 -4.817 0.212 11.668 1.00 51.25 C ATOM 1261 O THR A 75 -5.672 -0.675 11.838 1.00 44.14 O ATOM 1262 CB THR A 75 -2.710 0.043 13.093 1.00 32.22 C ATOM 1263 OG1 THR A 75 -2.650 1.446 13.411 1.00 42.11 O ATOM 1264 CG2 THR A 75 -1.297 -0.563 13.215 1.00 52.04 C ATOM 0 H THR A 75 -2.449 1.700 11.135 1.00 4.34 H new ATOM 0 HA THR A 75 -3.195 -1.158 11.333 1.00 64.44 H new ATOM 0 HB THR A 75 -3.356 -0.492 13.789 1.00 32.22 H new ATOM 0 HG1 THR A 75 -2.275 1.562 14.309 1.00 42.11 H new ATOM 0 HG21 THR A 75 -0.926 -0.419 14.230 1.00 52.04 H new ATOM 0 HG22 THR A 75 -1.338 -1.629 12.991 1.00 52.04 H new ATOM 0 HG23 THR A 75 -0.628 -0.070 12.510 1.00 52.04 H new ATOM 1272 N SER A 76 -5.124 1.505 11.469 1.00 52.41 N ATOM 1273 CA SER A 76 -6.496 2.036 11.459 1.00 52.34 C ATOM 1274 C SER A 76 -6.682 2.950 10.237 1.00 71.45 C ATOM 1275 O SER A 76 -5.749 3.673 9.873 1.00 14.11 O ATOM 1276 CB SER A 76 -6.771 2.817 12.761 1.00 42.14 C ATOM 1277 OG SER A 76 -8.104 3.296 12.794 1.00 33.33 O ATOM 0 H SER A 76 -4.415 2.220 11.308 1.00 52.41 H new ATOM 0 HA SER A 76 -7.204 1.209 11.397 1.00 52.34 H new ATOM 0 HB2 SER A 76 -6.591 2.172 13.621 1.00 42.14 H new ATOM 0 HB3 SER A 76 -6.078 3.654 12.840 1.00 42.14 H new ATOM 0 HG SER A 76 -8.255 3.786 13.629 1.00 33.33 H new ATOM 1283 N ASN A 77 -7.903 2.937 9.635 1.00 5.23 N ATOM 1284 CA ASN A 77 -8.251 3.751 8.437 1.00 75.34 C ATOM 1285 C ASN A 77 -7.926 5.251 8.634 1.00 12.42 C ATOM 1286 O ASN A 77 -7.653 5.956 7.676 1.00 32.22 O ATOM 1287 CB ASN A 77 -9.763 3.587 8.072 1.00 23.02 C ATOM 1288 CG ASN A 77 -10.745 4.247 9.065 1.00 51.32 C ATOM 1289 OD1 ASN A 77 -10.487 4.349 10.266 1.00 62.21 O ATOM 1290 ND2 ASN A 77 -11.893 4.670 8.571 1.00 51.13 N ATOM 0 H ASN A 77 -8.675 2.360 9.968 1.00 5.23 H new ATOM 0 HA ASN A 77 -7.637 3.378 7.617 1.00 75.34 H new ATOM 0 HB2 ASN A 77 -9.931 4.010 7.082 1.00 23.02 H new ATOM 0 HB3 ASN A 77 -9.993 2.524 8.008 1.00 23.02 H new ATOM 0 HD21 ASN A 77 -12.589 5.092 9.186 1.00 51.13 H new ATOM 0 HD22 ASN A 77 -12.085 4.575 7.574 1.00 51.13 H new ATOM 1297 N ASP A 78 -7.961 5.682 9.905 1.00 50.43 N ATOM 1298 CA ASP A 78 -7.682 7.055 10.357 1.00 43.33 C ATOM 1299 C ASP A 78 -6.284 7.564 9.893 1.00 53.24 C ATOM 1300 O ASP A 78 -6.121 8.743 9.559 1.00 31.14 O ATOM 1301 CB ASP A 78 -7.835 7.070 11.903 1.00 74.25 C ATOM 1302 CG ASP A 78 -7.630 8.446 12.542 1.00 3.10 C ATOM 1303 OD1 ASP A 78 -8.452 9.347 12.294 1.00 54.15 O ATOM 1304 OD2 ASP A 78 -6.642 8.642 13.285 1.00 10.34 O ATOM 0 H ASP A 78 -8.194 5.058 10.678 1.00 50.43 H new ATOM 0 HA ASP A 78 -8.390 7.748 9.903 1.00 43.33 H new ATOM 0 HB2 ASP A 78 -8.830 6.707 12.162 1.00 74.25 H new ATOM 0 HB3 ASP A 78 -7.118 6.371 12.334 1.00 74.25 H new ATOM 1309 N GLU A 79 -5.298 6.652 9.860 1.00 72.34 N ATOM 1310 CA GLU A 79 -3.951 6.926 9.315 1.00 43.42 C ATOM 1311 C GLU A 79 -4.000 7.074 7.778 1.00 32.23 C ATOM 1312 O GLU A 79 -3.489 8.051 7.208 1.00 4.42 O ATOM 1313 CB GLU A 79 -2.982 5.773 9.701 1.00 74.24 C ATOM 1314 CG GLU A 79 -2.807 5.541 11.215 1.00 10.43 C ATOM 1315 CD GLU A 79 -2.289 6.787 11.955 1.00 0.12 C ATOM 1316 OE1 GLU A 79 -1.123 7.176 11.738 1.00 33.22 O ATOM 1317 OE2 GLU A 79 -3.047 7.397 12.738 1.00 54.11 O ATOM 0 H GLU A 79 -5.410 5.701 10.211 1.00 72.34 H new ATOM 0 HA GLU A 79 -3.591 7.863 9.741 1.00 43.42 H new ATOM 0 HB2 GLU A 79 -3.343 4.850 9.248 1.00 74.24 H new ATOM 0 HB3 GLU A 79 -2.004 5.981 9.266 1.00 74.24 H new ATOM 0 HG2 GLU A 79 -3.763 5.241 11.644 1.00 10.43 H new ATOM 0 HG3 GLU A 79 -2.113 4.716 11.373 1.00 10.43 H new ATOM 1324 N LEU A 80 -4.657 6.087 7.140 1.00 44.24 N ATOM 1325 CA LEU A 80 -4.797 5.975 5.673 1.00 31.31 C ATOM 1326 C LEU A 80 -5.409 7.257 5.073 1.00 63.54 C ATOM 1327 O LEU A 80 -4.907 7.767 4.068 1.00 63.55 O ATOM 1328 CB LEU A 80 -5.653 4.697 5.369 1.00 12.32 C ATOM 1329 CG LEU A 80 -6.080 4.360 3.888 1.00 32.03 C ATOM 1330 CD1 LEU A 80 -7.352 5.095 3.442 1.00 14.04 C ATOM 1331 CD2 LEU A 80 -4.934 4.582 2.886 1.00 24.21 C ATOM 0 H LEU A 80 -5.117 5.327 7.641 1.00 44.24 H new ATOM 0 HA LEU A 80 -3.820 5.869 5.201 1.00 31.31 H new ATOM 0 HB2 LEU A 80 -5.098 3.839 5.748 1.00 12.32 H new ATOM 0 HB3 LEU A 80 -6.566 4.772 5.959 1.00 12.32 H new ATOM 0 HG LEU A 80 -6.318 3.296 3.892 1.00 32.03 H new ATOM 0 HD11 LEU A 80 -7.590 4.819 2.415 1.00 14.04 H new ATOM 0 HD12 LEU A 80 -8.180 4.817 4.094 1.00 14.04 H new ATOM 0 HD13 LEU A 80 -7.190 6.171 3.500 1.00 14.04 H new ATOM 0 HD21 LEU A 80 -5.277 4.337 1.881 1.00 24.21 H new ATOM 0 HD22 LEU A 80 -4.620 5.625 2.918 1.00 24.21 H new ATOM 0 HD23 LEU A 80 -4.092 3.942 3.149 1.00 24.21 H new ATOM 1343 N GLU A 81 -6.463 7.775 5.736 1.00 22.12 N ATOM 1344 CA GLU A 81 -7.194 8.977 5.303 1.00 41.44 C ATOM 1345 C GLU A 81 -6.246 10.172 5.175 1.00 51.52 C ATOM 1346 O GLU A 81 -6.304 10.889 4.192 1.00 44.21 O ATOM 1347 CB GLU A 81 -8.350 9.298 6.287 1.00 51.12 C ATOM 1348 CG GLU A 81 -9.432 8.201 6.350 1.00 53.35 C ATOM 1349 CD GLU A 81 -10.526 8.483 7.390 1.00 1.55 C ATOM 1350 OE1 GLU A 81 -10.203 8.533 8.594 1.00 61.00 O ATOM 1351 OE2 GLU A 81 -11.707 8.658 7.015 1.00 3.00 O ATOM 0 H GLU A 81 -6.832 7.365 6.594 1.00 22.12 H new ATOM 0 HA GLU A 81 -7.625 8.778 4.322 1.00 41.44 H new ATOM 0 HB2 GLU A 81 -7.936 9.446 7.284 1.00 51.12 H new ATOM 0 HB3 GLU A 81 -8.815 10.239 5.993 1.00 51.12 H new ATOM 0 HG2 GLU A 81 -9.893 8.099 5.367 1.00 53.35 H new ATOM 0 HG3 GLU A 81 -8.959 7.247 6.581 1.00 53.35 H new ATOM 1358 N GLN A 82 -5.329 10.309 6.147 1.00 3.02 N ATOM 1359 CA GLN A 82 -4.367 11.422 6.187 1.00 31.23 C ATOM 1360 C GLN A 82 -3.321 11.304 5.064 1.00 25.44 C ATOM 1361 O GLN A 82 -2.952 12.315 4.456 1.00 22.22 O ATOM 1362 CB GLN A 82 -3.675 11.493 7.571 1.00 2.04 C ATOM 1363 CG GLN A 82 -4.634 11.794 8.736 1.00 64.31 C ATOM 1364 CD GLN A 82 -5.340 13.153 8.615 1.00 23.14 C ATOM 1365 OE1 GLN A 82 -6.418 13.267 8.029 1.00 33.30 O ATOM 1366 NE2 GLN A 82 -4.748 14.191 9.183 1.00 34.43 N ATOM 0 H GLN A 82 -5.234 9.655 6.924 1.00 3.02 H new ATOM 0 HA GLN A 82 -4.922 12.346 6.026 1.00 31.23 H new ATOM 0 HB2 GLN A 82 -3.172 10.545 7.763 1.00 2.04 H new ATOM 0 HB3 GLN A 82 -2.904 12.262 7.541 1.00 2.04 H new ATOM 0 HG2 GLN A 82 -5.386 11.007 8.789 1.00 64.31 H new ATOM 0 HG3 GLN A 82 -4.076 11.766 9.672 1.00 64.31 H new ATOM 0 HE21 GLN A 82 -3.856 14.070 9.662 1.00 34.43 H new ATOM 0 HE22 GLN A 82 -5.184 15.112 9.142 1.00 34.43 H new ATOM 1375 N VAL A 83 -2.851 10.067 4.788 1.00 53.54 N ATOM 1376 CA VAL A 83 -1.872 9.813 3.699 1.00 62.11 C ATOM 1377 C VAL A 83 -2.499 10.137 2.311 1.00 3.20 C ATOM 1378 O VAL A 83 -1.815 10.647 1.415 1.00 10.44 O ATOM 1379 CB VAL A 83 -1.314 8.332 3.732 1.00 11.03 C ATOM 1380 CG1 VAL A 83 -0.146 8.141 2.725 1.00 43.34 C ATOM 1381 CG2 VAL A 83 -0.868 7.936 5.164 1.00 24.33 C ATOM 0 H VAL A 83 -3.130 9.230 5.300 1.00 53.54 H new ATOM 0 HA VAL A 83 -1.025 10.478 3.864 1.00 62.11 H new ATOM 0 HB VAL A 83 -2.127 7.672 3.431 1.00 11.03 H new ATOM 0 HG11 VAL A 83 0.213 7.113 2.774 1.00 43.34 H new ATOM 0 HG12 VAL A 83 -0.497 8.355 1.716 1.00 43.34 H new ATOM 0 HG13 VAL A 83 0.667 8.821 2.978 1.00 43.34 H new ATOM 0 HG21 VAL A 83 -0.489 6.914 5.158 1.00 24.33 H new ATOM 0 HG22 VAL A 83 -0.082 8.612 5.500 1.00 24.33 H new ATOM 0 HG23 VAL A 83 -1.719 8.003 5.842 1.00 24.33 H new ATOM 1391 N VAL A 84 -3.813 9.858 2.165 1.00 5.32 N ATOM 1392 CA VAL A 84 -4.577 10.167 0.932 1.00 11.51 C ATOM 1393 C VAL A 84 -4.814 11.690 0.796 1.00 23.33 C ATOM 1394 O VAL A 84 -4.599 12.263 -0.276 1.00 44.24 O ATOM 1395 CB VAL A 84 -5.960 9.411 0.880 1.00 3.13 C ATOM 1396 CG1 VAL A 84 -6.755 9.779 -0.396 1.00 73.41 C ATOM 1397 CG2 VAL A 84 -5.767 7.879 0.976 1.00 52.10 C ATOM 0 H VAL A 84 -4.373 9.415 2.893 1.00 5.32 H new ATOM 0 HA VAL A 84 -3.971 9.818 0.096 1.00 11.51 H new ATOM 0 HB VAL A 84 -6.539 9.735 1.745 1.00 3.13 H new ATOM 0 HG11 VAL A 84 -7.703 9.241 -0.402 1.00 73.41 H new ATOM 0 HG12 VAL A 84 -6.946 10.852 -0.409 1.00 73.41 H new ATOM 0 HG13 VAL A 84 -6.176 9.503 -1.277 1.00 73.41 H new ATOM 0 HG21 VAL A 84 -6.739 7.387 0.937 1.00 52.10 H new ATOM 0 HG22 VAL A 84 -5.153 7.537 0.143 1.00 52.10 H new ATOM 0 HG23 VAL A 84 -5.273 7.633 1.916 1.00 52.10 H new ATOM 1407 N LYS A 85 -5.236 12.331 1.901 1.00 3.31 N ATOM 1408 CA LYS A 85 -5.522 13.781 1.945 1.00 13.03 C ATOM 1409 C LYS A 85 -4.236 14.604 1.766 1.00 23.15 C ATOM 1410 O LYS A 85 -4.293 15.783 1.408 1.00 5.22 O ATOM 1411 CB LYS A 85 -6.251 14.159 3.266 1.00 21.44 C ATOM 1412 CG LYS A 85 -7.671 13.547 3.388 1.00 71.35 C ATOM 1413 CD LYS A 85 -8.380 13.841 4.740 1.00 4.23 C ATOM 1414 CE LYS A 85 -8.963 15.265 4.846 1.00 63.00 C ATOM 1415 NZ LYS A 85 -7.928 16.329 4.937 1.00 43.42 N ATOM 0 H LYS A 85 -5.389 11.859 2.792 1.00 3.31 H new ATOM 0 HA LYS A 85 -6.185 14.020 1.114 1.00 13.03 H new ATOM 0 HB2 LYS A 85 -5.648 13.828 4.112 1.00 21.44 H new ATOM 0 HB3 LYS A 85 -6.325 15.244 3.333 1.00 21.44 H new ATOM 0 HG2 LYS A 85 -8.290 13.929 2.576 1.00 71.35 H new ATOM 0 HG3 LYS A 85 -7.601 12.467 3.255 1.00 71.35 H new ATOM 0 HD2 LYS A 85 -9.184 13.119 4.881 1.00 4.23 H new ATOM 0 HD3 LYS A 85 -7.669 13.689 5.552 1.00 4.23 H new ATOM 0 HE2 LYS A 85 -9.592 15.456 3.977 1.00 63.00 H new ATOM 0 HE3 LYS A 85 -9.607 15.320 5.724 1.00 63.00 H new ATOM 0 HZ1 LYS A 85 -8.267 17.091 5.558 1.00 43.42 H new ATOM 0 HZ2 LYS A 85 -7.052 15.928 5.328 1.00 43.42 H new ATOM 0 HZ3 LYS A 85 -7.740 16.712 3.989 1.00 43.42 H new ATOM 1429 N ASP A 86 -3.081 13.966 2.023 1.00 53.35 N ATOM 1430 CA ASP A 86 -1.774 14.548 1.725 1.00 21.41 C ATOM 1431 C ASP A 86 -1.512 14.524 0.210 1.00 41.43 C ATOM 1432 O ASP A 86 -1.332 15.577 -0.397 1.00 62.41 O ATOM 1433 CB ASP A 86 -0.648 13.779 2.473 1.00 42.14 C ATOM 1434 CG ASP A 86 0.764 14.261 2.089 1.00 61.02 C ATOM 1435 OD1 ASP A 86 1.277 15.197 2.728 1.00 45.12 O ATOM 1436 OD2 ASP A 86 1.351 13.723 1.129 1.00 24.31 O ATOM 0 H ASP A 86 -3.034 13.037 2.441 1.00 53.35 H new ATOM 0 HA ASP A 86 -1.774 15.583 2.067 1.00 21.41 H new ATOM 0 HB2 ASP A 86 -0.787 13.896 3.548 1.00 42.14 H new ATOM 0 HB3 ASP A 86 -0.735 12.715 2.255 1.00 42.14 H new ATOM 1441 N VAL A 87 -1.540 13.319 -0.390 1.00 54.43 N ATOM 1442 CA VAL A 87 -1.084 13.100 -1.781 1.00 52.21 C ATOM 1443 C VAL A 87 -2.074 13.680 -2.806 1.00 44.41 C ATOM 1444 O VAL A 87 -1.703 14.487 -3.663 1.00 20.44 O ATOM 1445 CB VAL A 87 -0.871 11.560 -2.040 1.00 60.53 C ATOM 1446 CG1 VAL A 87 -0.591 11.260 -3.529 1.00 15.40 C ATOM 1447 CG2 VAL A 87 0.268 11.017 -1.143 1.00 14.45 C ATOM 0 H VAL A 87 -1.877 12.473 0.070 1.00 54.43 H new ATOM 0 HA VAL A 87 -0.137 13.625 -1.908 1.00 52.21 H new ATOM 0 HB VAL A 87 -1.797 11.048 -1.779 1.00 60.53 H new ATOM 0 HG11 VAL A 87 -0.450 10.188 -3.664 1.00 15.40 H new ATOM 0 HG12 VAL A 87 -1.435 11.594 -4.132 1.00 15.40 H new ATOM 0 HG13 VAL A 87 0.310 11.787 -3.843 1.00 15.40 H new ATOM 0 HG21 VAL A 87 0.404 9.952 -1.332 1.00 14.45 H new ATOM 0 HG22 VAL A 87 1.193 11.547 -1.369 1.00 14.45 H new ATOM 0 HG23 VAL A 87 0.010 11.169 -0.095 1.00 14.45 H new