USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 624 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 65 HIS : no HD1:sc= -0.0716 X(o=-0.38,f=-0.31) USER MOD Set 1.2: A 75 GLN : amide:sc= -0.305 K(o=-0.38,f=-1.5!) USER MOD Set 2.1: A 34 HIS : no HD1:sc= -0.947 X(o=-5.3,f=-5.5) USER MOD Set 2.2: A 41 MET CE :methyl -141:sc= -4.36 (180deg=-7.31!) USER MOD Set 3.1: A 29 LYS NZ :NH3+ -137:sc= 0.0755 (180deg=0) USER MOD Set 3.2: A 70 HIS : no HE2:sc= 0.0711 X(o=0.15,f=-0.0021) USER MOD Set 4.1: A 17 GLN : amide:sc= -1.89! C(o=-1.9!,f=-2!) USER MOD Set 4.2: A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 166:sc=-0.00113 (180deg=-0.0994) USER MOD Single : A 6 GLN : amide:sc= -0.0627 X(o=-0.063,f=-0.063) USER MOD Single : A 8 THR OG1 : rot -15:sc= 0.909 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0309 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.17) USER MOD Single : A 27 MET CE :methyl -118:sc= -3.36! (180deg=-7.06!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.311 USER MOD Single : A 38 SER OG : rot 110:sc= -0.214 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= -0.014 (180deg=-0.171) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 150:sc= -1.47 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 6.652 4.173 -12.005 1.00 14.21 N ATOM 2 CA GLY A 2 7.827 5.019 -12.104 1.00 31.25 C ATOM 3 C GLY A 2 9.093 4.303 -11.678 1.00 4.24 C ATOM 4 O GLY A 2 10.078 4.940 -11.304 1.00 63.35 O ATOM 0 HA2 GLY A 2 7.937 5.365 -13.132 1.00 31.25 H new ATOM 0 HA3 GLY A 2 7.687 5.904 -11.483 1.00 31.25 H new ATOM 8 N ALA A 3 9.068 2.976 -11.732 1.00 32.54 N ATOM 9 CA ALA A 3 10.223 2.173 -11.349 1.00 33.04 C ATOM 10 C ALA A 3 10.552 2.355 -9.871 1.00 33.43 C ATOM 11 O ALA A 3 11.077 3.391 -9.465 1.00 15.00 O ATOM 12 CB ALA A 3 11.425 2.535 -12.207 1.00 43.34 C ATOM 0 H ALA A 3 8.260 2.433 -12.037 1.00 32.54 H new ATOM 0 HA ALA A 3 9.976 1.124 -11.513 1.00 33.04 H new ATOM 0 HB1 ALA A 3 12.280 1.928 -11.910 1.00 43.34 H new ATOM 0 HB2 ALA A 3 11.193 2.347 -13.255 1.00 43.34 H new ATOM 0 HB3 ALA A 3 11.664 3.590 -12.071 1.00 43.34 H new ATOM 18 N MET A 4 10.239 1.340 -9.071 1.00 0.43 N ATOM 19 CA MET A 4 10.502 1.389 -7.637 1.00 44.02 C ATOM 20 C MET A 4 11.429 0.253 -7.216 1.00 32.22 C ATOM 21 O MET A 4 12.608 0.470 -6.940 1.00 50.15 O ATOM 22 CB MET A 4 9.191 1.311 -6.853 1.00 61.11 C ATOM 23 CG MET A 4 8.275 2.503 -7.080 1.00 25.10 C ATOM 24 SD MET A 4 6.623 2.018 -7.615 1.00 64.22 S ATOM 25 CE MET A 4 6.060 1.099 -6.184 1.00 41.35 C ATOM 0 H MET A 4 9.804 0.475 -9.391 1.00 0.43 H new ATOM 0 HA MET A 4 10.993 2.336 -7.415 1.00 44.02 H new ATOM 0 HB2 MET A 4 8.663 0.399 -7.133 1.00 61.11 H new ATOM 0 HB3 MET A 4 9.417 1.234 -5.789 1.00 61.11 H new ATOM 0 HG2 MET A 4 8.199 3.079 -6.158 1.00 25.10 H new ATOM 0 HG3 MET A 4 8.718 3.159 -7.830 1.00 25.10 H new ATOM 0 HE1 MET A 4 4.983 0.947 -6.250 1.00 41.35 H new ATOM 0 HE2 MET A 4 6.562 0.132 -6.152 1.00 41.35 H new ATOM 0 HE3 MET A 4 6.292 1.659 -5.278 1.00 41.35 H new ATOM 35 N GLY A 5 10.886 -0.960 -7.167 1.00 65.35 N ATOM 36 CA GLY A 5 11.679 -2.112 -6.778 1.00 71.13 C ATOM 37 C GLY A 5 10.885 -3.403 -6.820 1.00 42.14 C ATOM 38 O GLY A 5 10.263 -3.723 -7.833 1.00 2.11 O ATOM 0 H GLY A 5 9.912 -1.165 -7.390 1.00 65.35 H new ATOM 0 HA2 GLY A 5 12.540 -2.197 -7.441 1.00 71.13 H new ATOM 0 HA3 GLY A 5 12.066 -1.960 -5.770 1.00 71.13 H new ATOM 42 N GLN A 6 10.908 -4.146 -5.719 1.00 21.12 N ATOM 43 CA GLN A 6 10.187 -5.410 -5.636 1.00 33.52 C ATOM 44 C GLN A 6 10.716 -6.408 -6.661 1.00 42.30 C ATOM 45 O GLN A 6 10.356 -6.353 -7.836 1.00 72.53 O ATOM 46 CB GLN A 6 8.690 -5.183 -5.854 1.00 32.12 C ATOM 47 CG GLN A 6 7.884 -5.159 -4.565 1.00 20.10 C ATOM 48 CD GLN A 6 7.771 -6.527 -3.922 1.00 24.24 C ATOM 49 OE1 GLN A 6 7.151 -7.436 -4.473 1.00 71.34 O ATOM 50 NE2 GLN A 6 8.373 -6.681 -2.748 1.00 12.23 N ATOM 0 H GLN A 6 11.418 -3.895 -4.872 1.00 21.12 H new ATOM 0 HA GLN A 6 10.344 -5.823 -4.640 1.00 33.52 H new ATOM 0 HB2 GLN A 6 8.547 -4.239 -6.380 1.00 32.12 H new ATOM 0 HB3 GLN A 6 8.302 -5.970 -6.501 1.00 32.12 H new ATOM 0 HG2 GLN A 6 8.350 -4.469 -3.862 1.00 20.10 H new ATOM 0 HG3 GLN A 6 6.885 -4.776 -4.773 1.00 20.10 H new ATOM 0 HE21 GLN A 6 8.877 -5.900 -2.327 1.00 12.23 H new ATOM 0 HE22 GLN A 6 8.332 -7.580 -2.268 1.00 12.23 H new ATOM 59 N GLU A 7 11.574 -7.317 -6.207 1.00 55.32 N ATOM 60 CA GLU A 7 12.153 -8.325 -7.087 1.00 22.24 C ATOM 61 C GLU A 7 12.322 -9.653 -6.354 1.00 71.44 C ATOM 62 O GLU A 7 13.343 -9.896 -5.711 1.00 3.14 O ATOM 63 CB GLU A 7 13.506 -7.850 -7.622 1.00 75.22 C ATOM 64 CG GLU A 7 13.396 -6.959 -8.848 1.00 73.10 C ATOM 65 CD GLU A 7 14.304 -5.748 -8.772 1.00 3.52 C ATOM 66 OE1 GLU A 7 15.540 -5.932 -8.775 1.00 35.01 O ATOM 67 OE2 GLU A 7 13.781 -4.616 -8.709 1.00 12.43 O ATOM 0 H GLU A 7 11.883 -7.376 -5.237 1.00 55.32 H new ATOM 0 HA GLU A 7 11.472 -8.475 -7.924 1.00 22.24 H new ATOM 0 HB2 GLU A 7 14.029 -7.307 -6.834 1.00 75.22 H new ATOM 0 HB3 GLU A 7 14.115 -8.719 -7.868 1.00 75.22 H new ATOM 0 HG2 GLU A 7 13.643 -7.539 -9.737 1.00 73.10 H new ATOM 0 HG3 GLU A 7 12.364 -6.628 -8.960 1.00 73.10 H new ATOM 74 N THR A 8 11.312 -10.512 -6.457 1.00 14.51 N ATOM 75 CA THR A 8 11.346 -11.814 -5.804 1.00 70.11 C ATOM 76 C THR A 8 10.334 -12.768 -6.427 1.00 73.34 C ATOM 77 O THR A 8 10.703 -13.703 -7.138 1.00 64.11 O ATOM 78 CB THR A 8 11.060 -11.694 -4.295 1.00 52.03 C ATOM 79 OG1 THR A 8 12.043 -10.858 -3.675 1.00 51.43 O ATOM 80 CG2 THR A 8 11.062 -13.064 -3.633 1.00 53.35 C ATOM 0 H THR A 8 10.460 -10.328 -6.987 1.00 14.51 H new ATOM 0 HA THR A 8 12.351 -12.212 -5.945 1.00 70.11 H new ATOM 0 HB THR A 8 10.073 -11.249 -4.169 1.00 52.03 H new ATOM 0 HG1 THR A 8 12.808 -10.750 -4.278 1.00 51.43 H new ATOM 0 HG21 THR A 8 10.858 -12.954 -2.568 1.00 53.35 H new ATOM 0 HG22 THR A 8 10.293 -13.689 -4.087 1.00 53.35 H new ATOM 0 HG23 THR A 8 12.037 -13.532 -3.769 1.00 53.35 H new ATOM 88 N ASP A 9 9.056 -12.526 -6.157 1.00 73.43 N ATOM 89 CA ASP A 9 7.989 -13.364 -6.694 1.00 1.14 C ATOM 90 C ASP A 9 7.422 -12.766 -7.978 1.00 23.14 C ATOM 91 O ASP A 9 6.252 -12.390 -8.034 1.00 53.43 O ATOM 92 CB ASP A 9 6.875 -13.532 -5.659 1.00 71.35 C ATOM 93 CG ASP A 9 7.409 -13.641 -4.245 1.00 5.30 C ATOM 94 OD1 ASP A 9 8.087 -14.645 -3.943 1.00 0.03 O ATOM 95 OD2 ASP A 9 7.149 -12.722 -3.440 1.00 5.21 O ATOM 0 H ASP A 9 8.733 -11.757 -5.570 1.00 73.43 H new ATOM 0 HA ASP A 9 8.410 -14.342 -6.926 1.00 1.14 H new ATOM 0 HB2 ASP A 9 6.194 -12.684 -5.722 1.00 71.35 H new ATOM 0 HB3 ASP A 9 6.296 -14.425 -5.895 1.00 71.35 H new ATOM 100 N TRP A 10 8.260 -12.681 -9.004 1.00 61.45 N ATOM 101 CA TRP A 10 7.842 -12.128 -10.288 1.00 4.03 C ATOM 102 C TRP A 10 6.993 -13.129 -11.062 1.00 35.52 C ATOM 103 O TRP A 10 6.459 -12.814 -12.125 1.00 42.54 O ATOM 104 CB TRP A 10 9.065 -11.729 -11.117 1.00 34.45 C ATOM 105 CG TRP A 10 9.761 -12.897 -11.747 1.00 71.14 C ATOM 106 CD1 TRP A 10 10.313 -13.968 -11.104 1.00 12.32 C ATOM 107 CD2 TRP A 10 9.981 -13.110 -13.146 1.00 2.00 C ATOM 108 NE1 TRP A 10 10.863 -14.833 -12.018 1.00 71.51 N ATOM 109 CE2 TRP A 10 10.672 -14.331 -13.278 1.00 10.42 C ATOM 110 CE3 TRP A 10 9.660 -12.390 -14.300 1.00 5.23 C ATOM 111 CZ2 TRP A 10 11.047 -14.843 -14.517 1.00 21.22 C ATOM 112 CZ3 TRP A 10 10.034 -12.900 -15.529 1.00 12.34 C ATOM 113 CH2 TRP A 10 10.720 -14.117 -15.630 1.00 23.03 C ATOM 0 H TRP A 10 9.232 -12.987 -8.973 1.00 61.45 H new ATOM 0 HA TRP A 10 7.238 -11.242 -10.094 1.00 4.03 H new ATOM 0 HB2 TRP A 10 8.755 -11.035 -11.898 1.00 34.45 H new ATOM 0 HB3 TRP A 10 9.770 -11.196 -10.479 1.00 34.45 H new ATOM 0 HD1 TRP A 10 10.316 -14.113 -10.034 1.00 12.32 H new ATOM 0 HE1 TRP A 10 11.337 -15.708 -11.795 1.00 71.51 H new ATOM 0 HE3 TRP A 10 9.129 -11.452 -14.233 1.00 5.23 H new ATOM 0 HZ2 TRP A 10 11.577 -15.780 -14.597 1.00 21.22 H new ATOM 0 HZ3 TRP A 10 9.793 -12.351 -16.427 1.00 12.34 H new ATOM 0 HH2 TRP A 10 10.996 -14.490 -16.605 1.00 23.03 H new ATOM 124 N ARG A 11 6.870 -14.338 -10.522 1.00 2.45 N ATOM 125 CA ARG A 11 6.085 -15.385 -11.163 1.00 63.40 C ATOM 126 C ARG A 11 4.630 -15.330 -10.709 1.00 14.51 C ATOM 127 O ARG A 11 3.842 -16.228 -11.005 1.00 13.32 O ATOM 128 CB ARG A 11 6.677 -16.761 -10.848 1.00 14.45 C ATOM 129 CG ARG A 11 7.572 -17.305 -11.948 1.00 63.41 C ATOM 130 CD ARG A 11 8.417 -18.469 -11.454 1.00 21.33 C ATOM 131 NE ARG A 11 7.785 -19.758 -11.723 1.00 53.22 N ATOM 132 CZ ARG A 11 8.287 -20.921 -11.323 1.00 14.20 C ATOM 133 NH1 ARG A 11 9.422 -20.956 -10.638 1.00 75.45 N ATOM 134 NH2 ARG A 11 7.653 -22.051 -11.607 1.00 34.32 N ATOM 0 H ARG A 11 7.304 -14.616 -9.642 1.00 2.45 H new ATOM 0 HA ARG A 11 6.118 -15.220 -12.240 1.00 63.40 H new ATOM 0 HB2 ARG A 11 7.250 -16.697 -9.923 1.00 14.45 H new ATOM 0 HB3 ARG A 11 5.864 -17.465 -10.671 1.00 14.45 H new ATOM 0 HG2 ARG A 11 6.960 -17.630 -12.789 1.00 63.41 H new ATOM 0 HG3 ARG A 11 8.223 -16.511 -12.315 1.00 63.41 H new ATOM 0 HD2 ARG A 11 9.394 -18.437 -11.935 1.00 21.33 H new ATOM 0 HD3 ARG A 11 8.586 -18.365 -10.382 1.00 21.33 H new ATOM 0 HE ARG A 11 6.910 -19.766 -12.247 1.00 53.22 H new ATOM 0 HH11 ARG A 11 9.911 -20.089 -10.417 1.00 75.45 H new ATOM 0 HH12 ARG A 11 9.806 -21.850 -10.332 1.00 75.45 H new ATOM 0 HH21 ARG A 11 6.779 -22.027 -12.133 1.00 34.32 H new ATOM 0 HH22 ARG A 11 8.039 -22.944 -11.300 1.00 34.32 H new ATOM 148 N SER A 12 4.280 -14.269 -9.988 1.00 43.32 N ATOM 149 CA SER A 12 2.921 -14.098 -9.489 1.00 52.53 C ATOM 150 C SER A 12 2.026 -13.470 -10.554 1.00 63.22 C ATOM 151 O SER A 12 2.457 -12.599 -11.311 1.00 25.15 O ATOM 152 CB SER A 12 2.922 -13.227 -8.231 1.00 64.21 C ATOM 153 OG SER A 12 1.663 -12.607 -8.039 1.00 1.53 O ATOM 0 H SER A 12 4.919 -13.515 -9.737 1.00 43.32 H new ATOM 0 HA SER A 12 2.526 -15.083 -9.240 1.00 52.53 H new ATOM 0 HB2 SER A 12 3.166 -13.838 -7.362 1.00 64.21 H new ATOM 0 HB3 SER A 12 3.697 -12.465 -8.313 1.00 64.21 H new ATOM 0 HG SER A 12 1.689 -12.057 -7.228 1.00 1.53 H new ATOM 159 N THR A 13 0.776 -13.920 -10.608 1.00 2.51 N ATOM 160 CA THR A 13 -0.180 -13.405 -11.580 1.00 0.42 C ATOM 161 C THR A 13 -0.297 -11.888 -11.486 1.00 3.43 C ATOM 162 O THR A 13 -0.212 -11.186 -12.493 1.00 4.52 O ATOM 163 CB THR A 13 -1.574 -14.029 -11.381 1.00 52.42 C ATOM 164 OG1 THR A 13 -1.446 -15.401 -10.994 1.00 21.22 O ATOM 165 CG2 THR A 13 -2.397 -13.931 -12.657 1.00 34.23 C ATOM 0 H THR A 13 0.402 -14.640 -9.990 1.00 2.51 H new ATOM 0 HA THR A 13 0.195 -13.677 -12.567 1.00 0.42 H new ATOM 0 HB THR A 13 -2.086 -13.477 -10.593 1.00 52.42 H new ATOM 0 HG1 THR A 13 -2.337 -15.790 -10.868 1.00 21.22 H new ATOM 0 HG21 THR A 13 -3.377 -14.378 -12.493 1.00 34.23 H new ATOM 0 HG22 THR A 13 -2.517 -12.883 -12.933 1.00 34.23 H new ATOM 0 HG23 THR A 13 -1.886 -14.461 -13.461 1.00 34.23 H new ATOM 173 N ALA A 14 -0.491 -11.388 -10.270 1.00 33.03 N ATOM 174 CA ALA A 14 -0.617 -9.953 -10.044 1.00 63.43 C ATOM 175 C ALA A 14 0.564 -9.198 -10.645 1.00 53.04 C ATOM 176 O ALA A 14 0.383 -8.232 -11.387 1.00 73.11 O ATOM 177 CB ALA A 14 -0.730 -9.661 -8.555 1.00 70.05 C ATOM 0 H ALA A 14 -0.564 -11.956 -9.426 1.00 33.03 H new ATOM 0 HA ALA A 14 -1.525 -9.610 -10.540 1.00 63.43 H new ATOM 0 HB1 ALA A 14 -0.823 -8.586 -8.401 1.00 70.05 H new ATOM 0 HB2 ALA A 14 -1.609 -10.163 -8.151 1.00 70.05 H new ATOM 0 HB3 ALA A 14 0.162 -10.024 -8.044 1.00 70.05 H new ATOM 183 N PHE A 15 1.773 -9.643 -10.320 1.00 73.43 N ATOM 184 CA PHE A 15 2.983 -9.008 -10.827 1.00 44.11 C ATOM 185 C PHE A 15 2.929 -8.866 -12.345 1.00 75.24 C ATOM 186 O PHE A 15 2.834 -7.758 -12.873 1.00 13.10 O ATOM 187 CB PHE A 15 4.217 -9.818 -10.423 1.00 42.15 C ATOM 188 CG PHE A 15 5.482 -9.008 -10.391 1.00 53.13 C ATOM 189 CD1 PHE A 15 5.839 -8.302 -9.254 1.00 22.12 C ATOM 190 CD2 PHE A 15 6.313 -8.953 -11.498 1.00 42.12 C ATOM 191 CE1 PHE A 15 7.002 -7.555 -9.222 1.00 32.50 C ATOM 192 CE2 PHE A 15 7.477 -8.208 -11.472 1.00 64.21 C ATOM 193 CZ PHE A 15 7.823 -7.509 -10.332 1.00 35.50 C ATOM 0 H PHE A 15 1.941 -10.441 -9.708 1.00 73.43 H new ATOM 0 HA PHE A 15 3.051 -8.012 -10.389 1.00 44.11 H new ATOM 0 HB2 PHE A 15 4.049 -10.254 -9.438 1.00 42.15 H new ATOM 0 HB3 PHE A 15 4.343 -10.646 -11.121 1.00 42.15 H new ATOM 0 HD1 PHE A 15 5.202 -8.335 -8.383 1.00 22.12 H new ATOM 0 HD2 PHE A 15 6.048 -9.499 -12.392 1.00 42.12 H new ATOM 0 HE1 PHE A 15 7.268 -7.008 -8.330 1.00 32.50 H new ATOM 0 HE2 PHE A 15 8.115 -8.172 -12.342 1.00 64.21 H new ATOM 0 HZ PHE A 15 8.733 -6.928 -10.309 1.00 35.50 H new ATOM 203 N ARG A 16 2.989 -9.997 -13.042 1.00 4.52 N ATOM 204 CA ARG A 16 2.949 -9.999 -14.499 1.00 74.21 C ATOM 205 C ARG A 16 1.731 -9.235 -15.010 1.00 52.13 C ATOM 206 O ARG A 16 1.843 -8.397 -15.905 1.00 22.31 O ATOM 207 CB ARG A 16 2.922 -11.435 -15.027 1.00 53.32 C ATOM 208 CG ARG A 16 3.186 -11.539 -16.520 1.00 73.44 C ATOM 209 CD ARG A 16 2.982 -12.960 -17.024 1.00 2.22 C ATOM 210 NE ARG A 16 3.685 -13.939 -16.198 1.00 55.15 N ATOM 211 CZ ARG A 16 3.482 -15.249 -16.280 1.00 33.12 C ATOM 212 NH1 ARG A 16 2.602 -15.735 -17.145 1.00 44.21 N ATOM 213 NH2 ARG A 16 4.160 -16.077 -15.495 1.00 12.42 N ATOM 0 H ARG A 16 3.065 -10.923 -12.621 1.00 4.52 H new ATOM 0 HA ARG A 16 3.848 -9.502 -14.863 1.00 74.21 H new ATOM 0 HB2 ARG A 16 3.668 -12.024 -14.493 1.00 53.32 H new ATOM 0 HB3 ARG A 16 1.950 -11.876 -14.807 1.00 53.32 H new ATOM 0 HG2 ARG A 16 2.521 -10.862 -17.056 1.00 73.44 H new ATOM 0 HG3 ARG A 16 4.206 -11.219 -16.734 1.00 73.44 H new ATOM 0 HD2 ARG A 16 1.917 -13.192 -17.034 1.00 2.22 H new ATOM 0 HD3 ARG A 16 3.334 -13.034 -18.053 1.00 2.22 H new ATOM 0 HE ARG A 16 4.368 -13.598 -15.522 1.00 55.15 H new ATOM 0 HH11 ARG A 16 2.079 -15.102 -17.750 1.00 44.21 H new ATOM 0 HH12 ARG A 16 2.449 -16.742 -17.205 1.00 44.21 H new ATOM 0 HH21 ARG A 16 4.838 -15.707 -14.828 1.00 12.42 H new ATOM 0 HH22 ARG A 16 4.003 -17.083 -15.559 1.00 12.42 H new ATOM 227 N GLN A 17 0.569 -9.530 -14.436 1.00 62.50 N ATOM 228 CA GLN A 17 -0.669 -8.872 -14.835 1.00 10.11 C ATOM 229 C GLN A 17 -0.502 -7.356 -14.841 1.00 43.03 C ATOM 230 O GLN A 17 -0.871 -6.684 -15.804 1.00 52.33 O ATOM 231 CB GLN A 17 -1.808 -9.267 -13.893 1.00 61.23 C ATOM 232 CG GLN A 17 -3.166 -8.738 -14.325 1.00 42.40 C ATOM 233 CD GLN A 17 -3.339 -7.262 -14.025 1.00 0.30 C ATOM 234 OE1 GLN A 17 -3.106 -6.813 -12.902 1.00 74.20 O ATOM 235 NE2 GLN A 17 -3.749 -6.497 -15.030 1.00 72.12 N ATOM 0 H GLN A 17 0.459 -10.220 -13.693 1.00 62.50 H new ATOM 0 HA GLN A 17 -0.914 -9.197 -15.846 1.00 10.11 H new ATOM 0 HB2 GLN A 17 -1.855 -10.354 -13.829 1.00 61.23 H new ATOM 0 HB3 GLN A 17 -1.585 -8.898 -12.892 1.00 61.23 H new ATOM 0 HG2 GLN A 17 -3.293 -8.905 -15.395 1.00 42.40 H new ATOM 0 HG3 GLN A 17 -3.949 -9.302 -13.819 1.00 42.40 H new ATOM 0 HE21 GLN A 17 -3.930 -6.911 -15.945 1.00 72.12 H new ATOM 0 HE22 GLN A 17 -3.882 -5.496 -14.887 1.00 72.12 H new ATOM 244 N LYS A 18 0.057 -6.823 -13.760 1.00 43.12 N ATOM 245 CA LYS A 18 0.275 -5.386 -13.640 1.00 61.23 C ATOM 246 C LYS A 18 1.115 -4.864 -14.802 1.00 30.42 C ATOM 247 O LYS A 18 0.702 -3.952 -15.519 1.00 70.45 O ATOM 248 CB LYS A 18 0.965 -5.063 -12.313 1.00 33.11 C ATOM 249 CG LYS A 18 0.038 -4.445 -11.281 1.00 33.04 C ATOM 250 CD LYS A 18 0.794 -4.031 -10.029 1.00 74.40 C ATOM 251 CE LYS A 18 -0.147 -3.829 -8.851 1.00 52.42 C ATOM 252 NZ LYS A 18 0.582 -3.825 -7.553 1.00 3.21 N ATOM 0 H LYS A 18 0.368 -7.365 -12.954 1.00 43.12 H new ATOM 0 HA LYS A 18 -0.697 -4.893 -13.667 1.00 61.23 H new ATOM 0 HB2 LYS A 18 1.393 -5.978 -11.903 1.00 33.11 H new ATOM 0 HB3 LYS A 18 1.793 -4.380 -12.501 1.00 33.11 H new ATOM 0 HG2 LYS A 18 -0.459 -3.575 -11.711 1.00 33.04 H new ATOM 0 HG3 LYS A 18 -0.742 -5.159 -11.017 1.00 33.04 H new ATOM 0 HD2 LYS A 18 1.532 -4.793 -9.780 1.00 74.40 H new ATOM 0 HD3 LYS A 18 1.341 -3.108 -10.221 1.00 74.40 H new ATOM 0 HE2 LYS A 18 -0.681 -2.886 -8.970 1.00 52.42 H new ATOM 0 HE3 LYS A 18 -0.896 -4.621 -8.844 1.00 52.42 H new ATOM 0 HZ1 LYS A 18 -0.094 -3.685 -6.775 1.00 3.21 H new ATOM 0 HZ2 LYS A 18 1.071 -4.734 -7.427 1.00 3.21 H new ATOM 0 HZ3 LYS A 18 1.279 -3.053 -7.549 1.00 3.21 H new ATOM 266 N LEU A 19 2.294 -5.449 -14.982 1.00 42.35 N ATOM 267 CA LEU A 19 3.192 -5.044 -16.059 1.00 10.34 C ATOM 268 C LEU A 19 2.480 -5.086 -17.407 1.00 30.51 C ATOM 269 O LEU A 19 2.595 -4.161 -18.211 1.00 75.40 O ATOM 270 CB LEU A 19 4.424 -5.950 -16.090 1.00 74.34 C ATOM 271 CG LEU A 19 5.502 -5.654 -15.048 1.00 20.34 C ATOM 272 CD1 LEU A 19 5.410 -6.637 -13.891 1.00 20.22 C ATOM 273 CD2 LEU A 19 6.885 -5.702 -15.682 1.00 35.12 C ATOM 0 H LEU A 19 2.651 -6.205 -14.397 1.00 42.35 H new ATOM 0 HA LEU A 19 3.508 -4.018 -15.869 1.00 10.34 H new ATOM 0 HB2 LEU A 19 4.095 -6.981 -15.960 1.00 74.34 H new ATOM 0 HB3 LEU A 19 4.875 -5.882 -17.080 1.00 74.34 H new ATOM 0 HG LEU A 19 5.337 -4.649 -14.659 1.00 20.34 H new ATOM 0 HD11 LEU A 19 6.185 -6.411 -13.159 1.00 20.22 H new ATOM 0 HD12 LEU A 19 4.431 -6.554 -13.420 1.00 20.22 H new ATOM 0 HD13 LEU A 19 5.548 -7.652 -14.264 1.00 20.22 H new ATOM 0 HD21 LEU A 19 7.640 -5.489 -14.925 1.00 35.12 H new ATOM 0 HD22 LEU A 19 7.060 -6.694 -16.099 1.00 35.12 H new ATOM 0 HD23 LEU A 19 6.947 -4.958 -16.476 1.00 35.12 H new ATOM 285 N VAL A 20 1.742 -6.166 -17.647 1.00 25.11 N ATOM 286 CA VAL A 20 1.009 -6.328 -18.896 1.00 74.32 C ATOM 287 C VAL A 20 0.190 -5.083 -19.218 1.00 72.33 C ATOM 288 O VAL A 20 0.327 -4.499 -20.293 1.00 15.42 O ATOM 289 CB VAL A 20 0.069 -7.547 -18.841 1.00 33.31 C ATOM 290 CG1 VAL A 20 -0.992 -7.454 -19.927 1.00 64.14 C ATOM 291 CG2 VAL A 20 0.863 -8.838 -18.969 1.00 62.31 C ATOM 0 H VAL A 20 1.637 -6.941 -16.992 1.00 25.11 H new ATOM 0 HA VAL A 20 1.750 -6.485 -19.680 1.00 74.32 H new ATOM 0 HB VAL A 20 -0.435 -7.551 -17.875 1.00 33.31 H new ATOM 0 HG11 VAL A 20 -1.646 -8.324 -19.872 1.00 64.14 H new ATOM 0 HG12 VAL A 20 -1.581 -6.548 -19.784 1.00 64.14 H new ATOM 0 HG13 VAL A 20 -0.511 -7.423 -20.904 1.00 64.14 H new ATOM 0 HG21 VAL A 20 0.183 -9.689 -18.928 1.00 62.31 H new ATOM 0 HG22 VAL A 20 1.396 -8.845 -19.920 1.00 62.31 H new ATOM 0 HG23 VAL A 20 1.580 -8.907 -18.151 1.00 62.31 H new ATOM 301 N SER A 21 -0.662 -4.683 -18.280 1.00 3.45 N ATOM 302 CA SER A 21 -1.506 -3.508 -18.464 1.00 61.03 C ATOM 303 C SER A 21 -0.665 -2.284 -18.812 1.00 4.55 C ATOM 304 O SER A 21 -0.979 -1.546 -19.745 1.00 74.33 O ATOM 305 CB SER A 21 -2.323 -3.237 -17.200 1.00 34.42 C ATOM 306 OG SER A 21 -3.513 -4.007 -17.187 1.00 72.13 O ATOM 0 H SER A 21 -0.786 -5.155 -17.385 1.00 3.45 H new ATOM 0 HA SER A 21 -2.187 -3.707 -19.292 1.00 61.03 H new ATOM 0 HB2 SER A 21 -1.725 -3.471 -16.319 1.00 34.42 H new ATOM 0 HB3 SER A 21 -2.571 -2.177 -17.144 1.00 34.42 H new ATOM 0 HG SER A 21 -4.017 -3.817 -16.368 1.00 72.13 H new ATOM 312 N GLN A 22 0.406 -2.075 -18.052 1.00 41.54 N ATOM 313 CA GLN A 22 1.293 -0.939 -18.279 1.00 33.31 C ATOM 314 C GLN A 22 1.761 -0.895 -19.730 1.00 31.23 C ATOM 315 O GLN A 22 1.637 0.130 -20.401 1.00 23.22 O ATOM 316 CB GLN A 22 2.500 -1.014 -17.343 1.00 3.51 C ATOM 317 CG GLN A 22 2.132 -0.960 -15.869 1.00 32.40 C ATOM 318 CD GLN A 22 1.018 0.027 -15.581 1.00 71.22 C ATOM 319 OE1 GLN A 22 -0.127 -0.362 -15.350 1.00 55.13 O ATOM 320 NE2 GLN A 22 1.348 1.313 -15.593 1.00 64.22 N ATOM 0 H GLN A 22 0.680 -2.676 -17.275 1.00 41.54 H new ATOM 0 HA GLN A 22 0.735 -0.026 -18.069 1.00 33.31 H new ATOM 0 HB2 GLN A 22 3.044 -1.938 -17.539 1.00 3.51 H new ATOM 0 HB3 GLN A 22 3.177 -0.191 -17.570 1.00 3.51 H new ATOM 0 HG2 GLN A 22 1.827 -1.953 -15.538 1.00 32.40 H new ATOM 0 HG3 GLN A 22 3.013 -0.687 -15.288 1.00 32.40 H new ATOM 0 HE21 GLN A 22 2.310 1.591 -15.789 1.00 64.22 H new ATOM 0 HE22 GLN A 22 0.640 2.023 -15.406 1.00 64.22 H new ATOM 329 N ILE A 23 2.299 -2.013 -20.207 1.00 14.42 N ATOM 330 CA ILE A 23 2.785 -2.101 -21.578 1.00 55.02 C ATOM 331 C ILE A 23 1.677 -1.780 -22.576 1.00 34.13 C ATOM 332 O ILE A 23 1.922 -1.169 -23.615 1.00 63.11 O ATOM 333 CB ILE A 23 3.348 -3.501 -21.887 1.00 1.33 C ATOM 334 CG1 ILE A 23 4.571 -3.786 -21.012 1.00 74.21 C ATOM 335 CG2 ILE A 23 3.707 -3.614 -23.361 1.00 34.21 C ATOM 336 CD1 ILE A 23 4.467 -5.078 -20.232 1.00 31.01 C ATOM 0 H ILE A 23 2.409 -2.870 -19.664 1.00 14.42 H new ATOM 0 HA ILE A 23 3.584 -1.367 -21.677 1.00 55.02 H new ATOM 0 HB ILE A 23 2.582 -4.243 -21.662 1.00 1.33 H new ATOM 0 HG12 ILE A 23 5.459 -3.822 -21.643 1.00 74.21 H new ATOM 0 HG13 ILE A 23 4.709 -2.960 -20.315 1.00 74.21 H new ATOM 0 HG21 ILE A 23 4.103 -4.609 -23.564 1.00 34.21 H new ATOM 0 HG22 ILE A 23 2.816 -3.448 -23.966 1.00 34.21 H new ATOM 0 HG23 ILE A 23 4.459 -2.866 -23.611 1.00 34.21 H new ATOM 0 HD11 ILE A 23 5.368 -5.216 -19.634 1.00 31.01 H new ATOM 0 HD12 ILE A 23 3.598 -5.037 -19.575 1.00 31.01 H new ATOM 0 HD13 ILE A 23 4.360 -5.913 -20.924 1.00 31.01 H new ATOM 348 N GLU A 24 0.456 -2.195 -22.250 1.00 63.33 N ATOM 349 CA GLU A 24 -0.690 -1.951 -23.118 1.00 43.21 C ATOM 350 C GLU A 24 -1.085 -0.477 -23.095 1.00 43.03 C ATOM 351 O GLU A 24 -1.482 0.086 -24.116 1.00 11.05 O ATOM 352 CB GLU A 24 -1.877 -2.815 -22.688 1.00 1.00 C ATOM 353 CG GLU A 24 -2.643 -3.419 -23.852 1.00 72.55 C ATOM 354 CD GLU A 24 -3.995 -2.766 -24.063 1.00 34.31 C ATOM 355 OE1 GLU A 24 -4.681 -2.484 -23.058 1.00 52.34 O ATOM 356 OE2 GLU A 24 -4.367 -2.537 -25.233 1.00 74.50 O ATOM 0 H GLU A 24 0.236 -2.701 -21.392 1.00 63.33 H new ATOM 0 HA GLU A 24 -0.406 -2.218 -24.136 1.00 43.21 H new ATOM 0 HB2 GLU A 24 -1.517 -3.618 -22.045 1.00 1.00 H new ATOM 0 HB3 GLU A 24 -2.559 -2.210 -22.090 1.00 1.00 H new ATOM 0 HG2 GLU A 24 -2.051 -3.321 -24.762 1.00 72.55 H new ATOM 0 HG3 GLU A 24 -2.783 -4.486 -23.676 1.00 72.55 H new ATOM 363 N ASP A 25 -0.973 0.141 -21.925 1.00 1.21 N ATOM 364 CA ASP A 25 -1.318 1.549 -21.768 1.00 5.51 C ATOM 365 C ASP A 25 -0.291 2.441 -22.460 1.00 24.43 C ATOM 366 O ASP A 25 -0.648 3.370 -23.183 1.00 3.02 O ATOM 367 CB ASP A 25 -1.409 1.912 -20.285 1.00 31.12 C ATOM 368 CG ASP A 25 -2.243 3.154 -20.043 1.00 13.51 C ATOM 369 OD1 ASP A 25 -3.360 3.237 -20.597 1.00 3.11 O ATOM 370 OD2 ASP A 25 -1.780 4.044 -19.299 1.00 72.10 O ATOM 0 H ASP A 25 -0.646 -0.311 -21.071 1.00 1.21 H new ATOM 0 HA ASP A 25 -2.289 1.713 -22.235 1.00 5.51 H new ATOM 0 HB2 ASP A 25 -1.840 1.076 -19.735 1.00 31.12 H new ATOM 0 HB3 ASP A 25 -0.405 2.069 -19.890 1.00 31.12 H new ATOM 375 N ALA A 26 0.986 2.151 -22.231 1.00 62.34 N ATOM 376 CA ALA A 26 2.065 2.925 -22.833 1.00 73.22 C ATOM 377 C ALA A 26 1.991 2.877 -24.356 1.00 2.44 C ATOM 378 O ALA A 26 2.182 3.891 -25.027 1.00 74.12 O ATOM 379 CB ALA A 26 3.414 2.413 -22.352 1.00 21.42 C ATOM 0 H ALA A 26 1.298 1.386 -21.633 1.00 62.34 H new ATOM 0 HA ALA A 26 1.951 3.964 -22.522 1.00 73.22 H new ATOM 0 HB1 ALA A 26 4.210 3.000 -22.810 1.00 21.42 H new ATOM 0 HB2 ALA A 26 3.473 2.505 -21.267 1.00 21.42 H new ATOM 0 HB3 ALA A 26 3.527 1.366 -22.634 1.00 21.42 H new ATOM 385 N MET A 27 1.715 1.694 -24.894 1.00 15.15 N ATOM 386 CA MET A 27 1.616 1.516 -26.338 1.00 34.25 C ATOM 387 C MET A 27 0.468 2.342 -26.910 1.00 21.11 C ATOM 388 O MET A 27 0.628 3.027 -27.920 1.00 71.13 O ATOM 389 CB MET A 27 1.415 0.038 -26.678 1.00 32.22 C ATOM 390 CG MET A 27 2.463 -0.514 -27.630 1.00 71.33 C ATOM 391 SD MET A 27 1.772 -1.669 -28.830 1.00 55.13 S ATOM 392 CE MET A 27 0.793 -0.561 -29.842 1.00 3.32 C ATOM 0 H MET A 27 1.556 0.845 -24.352 1.00 15.15 H new ATOM 0 HA MET A 27 2.547 1.861 -26.787 1.00 34.25 H new ATOM 0 HB2 MET A 27 1.431 -0.544 -25.756 1.00 32.22 H new ATOM 0 HB3 MET A 27 0.428 -0.094 -27.121 1.00 32.22 H new ATOM 0 HG2 MET A 27 2.939 0.312 -28.159 1.00 71.33 H new ATOM 0 HG3 MET A 27 3.242 -1.016 -27.056 1.00 71.33 H new ATOM 0 HE1 MET A 27 -0.258 -0.844 -29.780 1.00 3.32 H new ATOM 0 HE2 MET A 27 0.915 0.462 -29.485 1.00 3.32 H new ATOM 0 HE3 MET A 27 1.125 -0.626 -30.878 1.00 3.32 H new ATOM 402 N ARG A 28 -0.688 2.272 -26.258 1.00 70.02 N ATOM 403 CA ARG A 28 -1.862 3.012 -26.704 1.00 12.41 C ATOM 404 C ARG A 28 -1.532 4.489 -26.900 1.00 43.10 C ATOM 405 O ARG A 28 -1.744 5.046 -27.977 1.00 41.51 O ATOM 406 CB ARG A 28 -3.000 2.863 -25.692 1.00 2.40 C ATOM 407 CG ARG A 28 -4.156 3.821 -25.930 1.00 72.43 C ATOM 408 CD ARG A 28 -5.496 3.106 -25.853 1.00 31.23 C ATOM 409 NE ARG A 28 -6.618 4.041 -25.879 1.00 64.11 N ATOM 410 CZ ARG A 28 -7.856 3.714 -25.526 1.00 63.42 C ATOM 411 NH1 ARG A 28 -8.129 2.481 -25.122 1.00 35.02 N ATOM 412 NH2 ARG A 28 -8.823 4.621 -25.577 1.00 71.50 N ATOM 0 H ARG A 28 -0.836 1.711 -25.419 1.00 70.02 H new ATOM 0 HA ARG A 28 -2.179 2.598 -27.661 1.00 12.41 H new ATOM 0 HB2 ARG A 28 -3.374 1.840 -25.727 1.00 2.40 H new ATOM 0 HB3 ARG A 28 -2.606 3.024 -24.689 1.00 2.40 H new ATOM 0 HG2 ARG A 28 -4.126 4.621 -25.190 1.00 72.43 H new ATOM 0 HG3 ARG A 28 -4.047 4.288 -26.909 1.00 72.43 H new ATOM 0 HD2 ARG A 28 -5.584 2.411 -26.688 1.00 31.23 H new ATOM 0 HD3 ARG A 28 -5.539 2.514 -24.939 1.00 31.23 H new ATOM 0 HE ARG A 28 -6.441 4.998 -26.185 1.00 64.11 H new ATOM 0 HH11 ARG A 28 -7.388 1.782 -25.082 1.00 35.02 H new ATOM 0 HH12 ARG A 28 -9.080 2.232 -24.851 1.00 35.02 H new ATOM 0 HH21 ARG A 28 -8.616 5.570 -25.888 1.00 71.50 H new ATOM 0 HH22 ARG A 28 -9.773 4.369 -25.306 1.00 71.50 H new ATOM 426 N LYS A 29 -1.011 5.118 -25.852 1.00 34.25 N ATOM 427 CA LYS A 29 -0.650 6.529 -25.907 1.00 14.40 C ATOM 428 C LYS A 29 0.546 6.749 -26.827 1.00 51.34 C ATOM 429 O LYS A 29 0.649 7.780 -27.492 1.00 14.13 O ATOM 430 CB LYS A 29 -0.331 7.051 -24.504 1.00 64.31 C ATOM 431 CG LYS A 29 -1.432 7.911 -23.909 1.00 42.34 C ATOM 432 CD LYS A 29 -1.001 9.364 -23.790 1.00 74.31 C ATOM 433 CE LYS A 29 -1.411 10.169 -25.014 1.00 31.31 C ATOM 434 NZ LYS A 29 -1.346 11.635 -24.761 1.00 34.33 N ATOM 0 H LYS A 29 -0.829 4.672 -24.953 1.00 34.25 H new ATOM 0 HA LYS A 29 -1.501 7.080 -26.308 1.00 14.40 H new ATOM 0 HB2 LYS A 29 -0.147 6.204 -23.844 1.00 64.31 H new ATOM 0 HB3 LYS A 29 0.591 7.631 -24.543 1.00 64.31 H new ATOM 0 HG2 LYS A 29 -2.324 7.845 -24.532 1.00 42.34 H new ATOM 0 HG3 LYS A 29 -1.702 7.529 -22.925 1.00 42.34 H new ATOM 0 HD2 LYS A 29 -1.446 9.805 -22.898 1.00 74.31 H new ATOM 0 HD3 LYS A 29 0.081 9.415 -23.665 1.00 74.31 H new ATOM 0 HE2 LYS A 29 -0.759 9.916 -25.850 1.00 31.31 H new ATOM 0 HE3 LYS A 29 -2.425 9.895 -25.306 1.00 31.31 H new ATOM 0 HZ1 LYS A 29 -2.187 12.095 -25.165 1.00 34.33 H new ATOM 0 HZ2 LYS A 29 -1.314 11.809 -23.736 1.00 34.33 H new ATOM 0 HZ3 LYS A 29 -0.491 12.026 -25.205 1.00 34.33 H new ATOM 448 N ALA A 30 1.447 5.773 -26.862 1.00 42.24 N ATOM 449 CA ALA A 30 2.634 5.859 -27.704 1.00 40.12 C ATOM 450 C ALA A 30 2.256 5.946 -29.179 1.00 20.50 C ATOM 451 O ALA A 30 3.021 6.454 -29.997 1.00 50.31 O ATOM 452 CB ALA A 30 3.542 4.663 -27.459 1.00 44.34 C ATOM 0 H ALA A 30 1.378 4.914 -26.317 1.00 42.24 H new ATOM 0 HA ALA A 30 3.172 6.770 -27.440 1.00 40.12 H new ATOM 0 HB1 ALA A 30 4.424 4.740 -28.094 1.00 44.34 H new ATOM 0 HB2 ALA A 30 3.848 4.647 -26.413 1.00 44.34 H new ATOM 0 HB3 ALA A 30 3.005 3.744 -27.694 1.00 44.34 H new ATOM 458 N GLY A 31 1.070 5.444 -29.512 1.00 24.02 N ATOM 459 CA GLY A 31 0.612 5.474 -30.889 1.00 23.25 C ATOM 460 C GLY A 31 1.488 4.647 -31.809 1.00 1.00 C ATOM 461 O GLY A 31 2.298 5.190 -32.560 1.00 63.13 O ATOM 0 H GLY A 31 0.419 5.017 -28.853 1.00 24.02 H new ATOM 0 HA2 GLY A 31 -0.412 5.103 -30.936 1.00 23.25 H new ATOM 0 HA3 GLY A 31 0.594 6.506 -31.240 1.00 23.25 H new ATOM 465 N VAL A 32 1.327 3.329 -31.750 1.00 61.22 N ATOM 466 CA VAL A 32 2.110 2.425 -32.585 1.00 10.14 C ATOM 467 C VAL A 32 1.354 1.128 -32.849 1.00 60.11 C ATOM 468 O VAL A 32 0.225 0.951 -32.392 1.00 24.14 O ATOM 469 CB VAL A 32 3.466 2.093 -31.933 1.00 74.24 C ATOM 470 CG1 VAL A 32 4.410 3.282 -32.028 1.00 74.35 C ATOM 471 CG2 VAL A 32 3.271 1.670 -30.485 1.00 2.41 C ATOM 0 H VAL A 32 0.662 2.863 -31.133 1.00 61.22 H new ATOM 0 HA VAL A 32 2.286 2.938 -33.530 1.00 10.14 H new ATOM 0 HB VAL A 32 3.915 1.260 -32.473 1.00 74.24 H new ATOM 0 HG11 VAL A 32 5.362 3.029 -31.562 1.00 74.35 H new ATOM 0 HG12 VAL A 32 4.574 3.534 -33.076 1.00 74.35 H new ATOM 0 HG13 VAL A 32 3.971 4.137 -31.514 1.00 74.35 H new ATOM 0 HG21 VAL A 32 4.239 1.439 -30.040 1.00 2.41 H new ATOM 0 HG22 VAL A 32 2.800 2.481 -29.929 1.00 2.41 H new ATOM 0 HG23 VAL A 32 2.634 0.786 -30.447 1.00 2.41 H new ATOM 481 N ALA A 33 1.984 0.223 -33.590 1.00 64.34 N ATOM 482 CA ALA A 33 1.372 -1.060 -33.914 1.00 25.00 C ATOM 483 C ALA A 33 2.409 -2.179 -33.912 1.00 52.30 C ATOM 484 O ALA A 33 2.824 -2.656 -34.969 1.00 4.44 O ATOM 485 CB ALA A 33 0.675 -0.986 -35.264 1.00 60.42 C ATOM 0 H ALA A 33 2.918 0.354 -33.978 1.00 64.34 H new ATOM 0 HA ALA A 33 0.631 -1.285 -33.147 1.00 25.00 H new ATOM 0 HB1 ALA A 33 0.223 -1.951 -35.493 1.00 60.42 H new ATOM 0 HB2 ALA A 33 -0.100 -0.220 -35.232 1.00 60.42 H new ATOM 0 HB3 ALA A 33 1.402 -0.734 -36.036 1.00 60.42 H new ATOM 491 N HIS A 34 2.823 -2.593 -32.719 1.00 23.11 N ATOM 492 CA HIS A 34 3.812 -3.656 -32.580 1.00 21.40 C ATOM 493 C HIS A 34 3.295 -4.961 -33.179 1.00 13.13 C ATOM 494 O HIS A 34 2.282 -4.975 -33.878 1.00 62.55 O ATOM 495 CB HIS A 34 4.166 -3.863 -31.107 1.00 44.10 C ATOM 496 CG HIS A 34 5.639 -3.826 -30.834 1.00 54.23 C ATOM 497 ND1 HIS A 34 6.317 -2.667 -30.521 1.00 41.12 N ATOM 498 CD2 HIS A 34 6.563 -4.815 -30.827 1.00 51.33 C ATOM 499 CE1 HIS A 34 7.595 -2.944 -30.335 1.00 62.22 C ATOM 500 NE2 HIS A 34 7.771 -4.241 -30.515 1.00 13.04 N ATOM 0 H HIS A 34 2.489 -2.209 -31.835 1.00 23.11 H new ATOM 0 HA HIS A 34 4.709 -3.357 -33.123 1.00 21.40 H new ATOM 0 HB2 HIS A 34 3.675 -3.093 -30.512 1.00 44.10 H new ATOM 0 HB3 HIS A 34 3.768 -4.823 -30.777 1.00 44.10 H new ATOM 0 HD2 HIS A 34 6.384 -5.861 -31.029 1.00 51.33 H new ATOM 0 HE1 HIS A 34 8.365 -2.231 -30.079 1.00 62.22 H new ATOM 0 HE2 HIS A 34 8.660 -4.736 -30.435 1.00 13.04 H new ATOM 508 N SER A 35 3.997 -6.054 -32.899 1.00 62.24 N ATOM 509 CA SER A 35 3.612 -7.363 -33.414 1.00 55.12 C ATOM 510 C SER A 35 2.648 -8.060 -32.459 1.00 21.15 C ATOM 511 O SER A 35 2.884 -8.117 -31.251 1.00 50.34 O ATOM 512 CB SER A 35 4.850 -8.234 -33.633 1.00 2.31 C ATOM 513 OG SER A 35 5.605 -7.777 -34.742 1.00 22.11 O ATOM 0 H SER A 35 4.836 -6.059 -32.318 1.00 62.24 H new ATOM 0 HA SER A 35 3.108 -7.216 -34.369 1.00 55.12 H new ATOM 0 HB2 SER A 35 5.470 -8.222 -32.737 1.00 2.31 H new ATOM 0 HB3 SER A 35 4.547 -9.268 -33.797 1.00 2.31 H new ATOM 0 HG SER A 35 6.392 -8.349 -34.860 1.00 22.11 H new ATOM 519 N LYS A 36 1.560 -8.590 -33.008 1.00 25.45 N ATOM 520 CA LYS A 36 0.560 -9.286 -32.207 1.00 11.23 C ATOM 521 C LYS A 36 -0.168 -8.315 -31.283 1.00 12.23 C ATOM 522 O LYS A 36 -1.272 -7.862 -31.588 1.00 23.35 O ATOM 523 CB LYS A 36 1.217 -10.395 -31.382 1.00 44.13 C ATOM 524 CG LYS A 36 0.794 -11.793 -31.797 1.00 64.44 C ATOM 525 CD LYS A 36 1.907 -12.803 -31.571 1.00 3.12 C ATOM 526 CE LYS A 36 1.374 -14.227 -31.557 1.00 74.12 C ATOM 527 NZ LYS A 36 0.926 -14.665 -32.909 1.00 4.25 N ATOM 0 H LYS A 36 1.348 -8.551 -34.005 1.00 25.45 H new ATOM 0 HA LYS A 36 -0.168 -9.730 -32.886 1.00 11.23 H new ATOM 0 HB2 LYS A 36 2.300 -10.310 -31.472 1.00 44.13 H new ATOM 0 HB3 LYS A 36 0.972 -10.248 -30.330 1.00 44.13 H new ATOM 0 HG2 LYS A 36 -0.089 -12.090 -31.231 1.00 64.44 H new ATOM 0 HG3 LYS A 36 0.511 -11.791 -32.850 1.00 64.44 H new ATOM 0 HD2 LYS A 36 2.656 -12.702 -32.356 1.00 3.12 H new ATOM 0 HD3 LYS A 36 2.406 -12.591 -30.625 1.00 3.12 H new ATOM 0 HE2 LYS A 36 2.150 -14.902 -31.195 1.00 74.12 H new ATOM 0 HE3 LYS A 36 0.540 -14.296 -30.858 1.00 74.12 H new ATOM 0 HZ1 LYS A 36 0.570 -15.641 -32.857 1.00 4.25 H new ATOM 0 HZ2 LYS A 36 0.168 -14.037 -33.244 1.00 4.25 H new ATOM 0 HZ3 LYS A 36 1.727 -14.624 -33.571 1.00 4.25 H new ATOM 541 N SER A 37 0.457 -7.998 -30.153 1.00 42.35 N ATOM 542 CA SER A 37 -0.133 -7.082 -29.184 1.00 42.11 C ATOM 543 C SER A 37 0.738 -6.977 -27.936 1.00 21.32 C ATOM 544 O SER A 37 1.596 -7.826 -27.691 1.00 12.41 O ATOM 545 CB SER A 37 -1.539 -7.547 -28.801 1.00 61.42 C ATOM 546 OG SER A 37 -1.974 -6.925 -27.605 1.00 21.34 O ATOM 0 H SER A 37 1.372 -8.362 -29.886 1.00 42.35 H new ATOM 0 HA SER A 37 -0.197 -6.096 -29.645 1.00 42.11 H new ATOM 0 HB2 SER A 37 -2.234 -7.316 -29.608 1.00 61.42 H new ATOM 0 HB3 SER A 37 -1.545 -8.630 -28.675 1.00 61.42 H new ATOM 0 HG SER A 37 -2.876 -7.238 -27.383 1.00 21.34 H new ATOM 552 N SER A 38 0.511 -5.930 -27.150 1.00 11.14 N ATOM 553 CA SER A 38 1.277 -5.711 -25.928 1.00 54.31 C ATOM 554 C SER A 38 1.258 -6.954 -25.044 1.00 75.24 C ATOM 555 O SER A 38 2.304 -7.451 -24.628 1.00 43.11 O ATOM 556 CB SER A 38 0.715 -4.514 -25.157 1.00 23.51 C ATOM 557 OG SER A 38 1.140 -3.291 -25.733 1.00 25.53 O ATOM 0 H SER A 38 -0.197 -5.220 -27.337 1.00 11.14 H new ATOM 0 HA SER A 38 2.309 -5.502 -26.208 1.00 54.31 H new ATOM 0 HB2 SER A 38 -0.374 -4.559 -25.153 1.00 23.51 H new ATOM 0 HB3 SER A 38 1.040 -4.562 -24.118 1.00 23.51 H new ATOM 0 HG SER A 38 0.377 -2.848 -26.160 1.00 25.53 H new ATOM 563 N LYS A 39 0.059 -7.453 -24.762 1.00 11.14 N ATOM 564 CA LYS A 39 -0.100 -8.639 -23.929 1.00 22.13 C ATOM 565 C LYS A 39 0.801 -9.770 -24.415 1.00 2.21 C ATOM 566 O LYS A 39 1.574 -10.337 -23.642 1.00 13.31 O ATOM 567 CB LYS A 39 -1.560 -9.098 -23.932 1.00 64.43 C ATOM 568 CG LYS A 39 -2.498 -8.148 -23.210 1.00 12.25 C ATOM 569 CD LYS A 39 -3.842 -8.050 -23.912 1.00 11.13 C ATOM 570 CE LYS A 39 -4.622 -6.827 -23.454 1.00 34.22 C ATOM 571 NZ LYS A 39 -5.864 -7.203 -22.723 1.00 73.42 N ATOM 0 H LYS A 39 -0.817 -7.054 -25.099 1.00 11.14 H new ATOM 0 HA LYS A 39 0.190 -8.379 -22.911 1.00 22.13 H new ATOM 0 HB2 LYS A 39 -1.894 -9.211 -24.963 1.00 64.43 H new ATOM 0 HB3 LYS A 39 -1.624 -10.082 -23.467 1.00 64.43 H new ATOM 0 HG2 LYS A 39 -2.646 -8.490 -22.186 1.00 12.25 H new ATOM 0 HG3 LYS A 39 -2.043 -7.159 -23.154 1.00 12.25 H new ATOM 0 HD2 LYS A 39 -3.688 -8.002 -24.990 1.00 11.13 H new ATOM 0 HD3 LYS A 39 -4.424 -8.950 -23.713 1.00 11.13 H new ATOM 0 HE2 LYS A 39 -3.992 -6.215 -22.809 1.00 34.22 H new ATOM 0 HE3 LYS A 39 -4.880 -6.216 -24.319 1.00 34.22 H new ATOM 0 HZ1 LYS A 39 -6.367 -6.342 -22.428 1.00 73.42 H new ATOM 0 HZ2 LYS A 39 -6.477 -7.766 -23.347 1.00 73.42 H new ATOM 0 HZ3 LYS A 39 -5.616 -7.764 -21.883 1.00 73.42 H new ATOM 585 N ASP A 40 0.698 -10.091 -25.700 1.00 32.54 N ATOM 586 CA ASP A 40 1.505 -11.153 -26.289 1.00 44.14 C ATOM 587 C ASP A 40 2.993 -10.867 -26.110 1.00 22.43 C ATOM 588 O ASP A 40 3.786 -11.779 -25.873 1.00 13.51 O ATOM 589 CB ASP A 40 1.179 -11.306 -27.776 1.00 14.43 C ATOM 590 CG ASP A 40 0.285 -12.499 -28.053 1.00 4.15 C ATOM 591 OD1 ASP A 40 0.791 -13.640 -28.013 1.00 72.55 O ATOM 592 OD2 ASP A 40 -0.919 -12.291 -28.307 1.00 71.33 O ATOM 0 H ASP A 40 0.064 -9.631 -26.353 1.00 32.54 H new ATOM 0 HA ASP A 40 1.267 -12.084 -25.775 1.00 44.14 H new ATOM 0 HB2 ASP A 40 0.691 -10.399 -28.133 1.00 14.43 H new ATOM 0 HB3 ASP A 40 2.106 -11.412 -28.339 1.00 14.43 H new ATOM 597 N MET A 41 3.365 -9.597 -26.225 1.00 52.41 N ATOM 598 CA MET A 41 4.758 -9.191 -26.075 1.00 74.51 C ATOM 599 C MET A 41 5.260 -9.485 -24.665 1.00 43.41 C ATOM 600 O MET A 41 6.365 -9.996 -24.485 1.00 33.33 O ATOM 601 CB MET A 41 4.914 -7.702 -26.385 1.00 51.54 C ATOM 602 CG MET A 41 5.640 -7.426 -27.692 1.00 53.22 C ATOM 603 SD MET A 41 4.539 -6.815 -28.983 1.00 13.33 S ATOM 604 CE MET A 41 3.928 -5.312 -28.223 1.00 71.00 C ATOM 0 H MET A 41 2.721 -8.831 -26.422 1.00 52.41 H new ATOM 0 HA MET A 41 5.356 -9.765 -26.782 1.00 74.51 H new ATOM 0 HB2 MET A 41 3.927 -7.242 -26.423 1.00 51.54 H new ATOM 0 HB3 MET A 41 5.457 -7.224 -25.569 1.00 51.54 H new ATOM 0 HG2 MET A 41 6.429 -6.695 -27.517 1.00 53.22 H new ATOM 0 HG3 MET A 41 6.123 -8.341 -28.035 1.00 53.22 H new ATOM 0 HE1 MET A 41 2.870 -5.191 -28.455 1.00 71.00 H new ATOM 0 HE2 MET A 41 4.058 -5.372 -27.142 1.00 71.00 H new ATOM 0 HE3 MET A 41 4.484 -4.457 -28.609 1.00 71.00 H new ATOM 614 N GLU A 42 4.442 -9.157 -23.670 1.00 4.42 N ATOM 615 CA GLU A 42 4.806 -9.384 -22.276 1.00 64.52 C ATOM 616 C GLU A 42 5.126 -10.856 -22.031 1.00 61.31 C ATOM 617 O GLU A 42 6.180 -11.192 -21.492 1.00 23.05 O ATOM 618 CB GLU A 42 3.674 -8.936 -21.350 1.00 73.23 C ATOM 619 CG GLU A 42 4.155 -8.422 -20.004 1.00 44.11 C ATOM 620 CD GLU A 42 3.900 -9.405 -18.879 1.00 20.35 C ATOM 621 OE1 GLU A 42 4.049 -10.623 -19.109 1.00 22.42 O ATOM 622 OE2 GLU A 42 3.551 -8.956 -17.767 1.00 0.13 O ATOM 0 H GLU A 42 3.524 -8.734 -23.803 1.00 4.42 H new ATOM 0 HA GLU A 42 5.697 -8.795 -22.059 1.00 64.52 H new ATOM 0 HB2 GLU A 42 3.100 -8.152 -21.845 1.00 73.23 H new ATOM 0 HB3 GLU A 42 2.996 -9.774 -21.188 1.00 73.23 H new ATOM 0 HG2 GLU A 42 5.223 -8.210 -20.061 1.00 44.11 H new ATOM 0 HG3 GLU A 42 3.654 -7.480 -19.779 1.00 44.11 H new ATOM 629 N SER A 43 4.208 -11.730 -22.431 1.00 53.11 N ATOM 630 CA SER A 43 4.389 -13.166 -22.251 1.00 52.44 C ATOM 631 C SER A 43 5.724 -13.622 -22.833 1.00 15.22 C ATOM 632 O SER A 43 6.470 -14.365 -22.195 1.00 70.42 O ATOM 633 CB SER A 43 3.242 -13.933 -22.914 1.00 4.55 C ATOM 634 OG SER A 43 3.558 -15.308 -23.045 1.00 50.34 O ATOM 0 H SER A 43 3.331 -11.469 -22.882 1.00 53.11 H new ATOM 0 HA SER A 43 4.387 -13.377 -21.182 1.00 52.44 H new ATOM 0 HB2 SER A 43 2.334 -13.820 -22.321 1.00 4.55 H new ATOM 0 HB3 SER A 43 3.036 -13.508 -23.897 1.00 4.55 H new ATOM 0 HG SER A 43 2.809 -15.777 -23.470 1.00 50.34 H new ATOM 640 N HIS A 44 6.018 -13.171 -24.048 1.00 54.21 N ATOM 641 CA HIS A 44 7.263 -13.531 -24.717 1.00 34.41 C ATOM 642 C HIS A 44 8.469 -13.106 -23.886 1.00 0.35 C ATOM 643 O HIS A 44 9.465 -13.824 -23.805 1.00 63.31 O ATOM 644 CB HIS A 44 7.329 -12.885 -26.101 1.00 14.11 C ATOM 645 CG HIS A 44 8.549 -13.264 -26.881 1.00 44.24 C ATOM 646 ND1 HIS A 44 9.197 -14.471 -26.727 1.00 30.44 N ATOM 647 CD2 HIS A 44 9.240 -12.587 -27.829 1.00 31.12 C ATOM 648 CE1 HIS A 44 10.234 -14.520 -27.544 1.00 31.34 C ATOM 649 NE2 HIS A 44 10.282 -13.389 -28.224 1.00 71.31 N ATOM 0 H HIS A 44 5.411 -12.556 -24.590 1.00 54.21 H new ATOM 0 HA HIS A 44 7.285 -14.615 -24.829 1.00 34.41 H new ATOM 0 HB2 HIS A 44 6.443 -13.169 -26.668 1.00 14.11 H new ATOM 0 HB3 HIS A 44 7.302 -11.801 -25.989 1.00 14.11 H new ATOM 0 HD2 HIS A 44 9.013 -11.600 -28.204 1.00 31.12 H new ATOM 0 HE1 HIS A 44 10.925 -15.345 -27.640 1.00 31.34 H new ATOM 0 HE2 HIS A 44 10.980 -13.150 -28.928 1.00 71.31 H new ATOM 657 N VAL A 45 8.372 -11.932 -23.269 1.00 3.00 N ATOM 658 CA VAL A 45 9.455 -11.411 -22.444 1.00 2.55 C ATOM 659 C VAL A 45 9.717 -12.316 -21.245 1.00 43.40 C ATOM 660 O VAL A 45 10.867 -12.605 -20.911 1.00 54.42 O ATOM 661 CB VAL A 45 9.143 -9.989 -21.941 1.00 12.45 C ATOM 662 CG1 VAL A 45 10.340 -9.408 -21.203 1.00 52.24 C ATOM 663 CG2 VAL A 45 8.733 -9.092 -23.099 1.00 64.13 C ATOM 0 H VAL A 45 7.555 -11.324 -23.325 1.00 3.00 H new ATOM 0 HA VAL A 45 10.345 -11.379 -23.073 1.00 2.55 H new ATOM 0 HB VAL A 45 8.308 -10.045 -21.242 1.00 12.45 H new ATOM 0 HG11 VAL A 45 10.100 -8.403 -20.855 1.00 52.24 H new ATOM 0 HG12 VAL A 45 10.582 -10.040 -20.348 1.00 52.24 H new ATOM 0 HG13 VAL A 45 11.196 -9.364 -21.876 1.00 52.24 H new ATOM 0 HG21 VAL A 45 8.516 -8.091 -22.725 1.00 64.13 H new ATOM 0 HG22 VAL A 45 9.545 -9.040 -23.824 1.00 64.13 H new ATOM 0 HG23 VAL A 45 7.844 -9.501 -23.579 1.00 64.13 H new ATOM 673 N PHE A 46 8.644 -12.761 -20.601 1.00 13.01 N ATOM 674 CA PHE A 46 8.757 -13.634 -19.438 1.00 41.31 C ATOM 675 C PHE A 46 9.523 -14.907 -19.786 1.00 54.13 C ATOM 676 O PHE A 46 10.481 -15.275 -19.106 1.00 1.44 O ATOM 677 CB PHE A 46 7.368 -13.990 -18.904 1.00 62.10 C ATOM 678 CG PHE A 46 7.370 -14.406 -17.461 1.00 34.12 C ATOM 679 CD1 PHE A 46 7.766 -15.682 -17.094 1.00 62.13 C ATOM 680 CD2 PHE A 46 6.975 -13.521 -16.471 1.00 33.14 C ATOM 681 CE1 PHE A 46 7.768 -16.068 -15.767 1.00 55.41 C ATOM 682 CE2 PHE A 46 6.974 -13.901 -15.142 1.00 4.24 C ATOM 683 CZ PHE A 46 7.372 -15.175 -14.789 1.00 64.54 C ATOM 0 H PHE A 46 7.686 -12.532 -20.864 1.00 13.01 H new ATOM 0 HA PHE A 46 9.309 -13.099 -18.665 1.00 41.31 H new ATOM 0 HB2 PHE A 46 6.709 -13.130 -19.025 1.00 62.10 H new ATOM 0 HB3 PHE A 46 6.952 -14.798 -19.506 1.00 62.10 H new ATOM 0 HD1 PHE A 46 8.077 -16.383 -17.854 1.00 62.13 H new ATOM 0 HD2 PHE A 46 6.664 -12.522 -16.741 1.00 33.14 H new ATOM 0 HE1 PHE A 46 8.078 -17.066 -15.495 1.00 55.41 H new ATOM 0 HE2 PHE A 46 6.662 -13.202 -14.380 1.00 4.24 H new ATOM 0 HZ PHE A 46 7.374 -15.473 -13.751 1.00 64.54 H new ATOM 693 N LEU A 47 9.093 -15.576 -20.850 1.00 75.22 N ATOM 694 CA LEU A 47 9.736 -16.809 -21.290 1.00 61.30 C ATOM 695 C LEU A 47 11.119 -16.526 -21.867 1.00 42.34 C ATOM 696 O LEU A 47 11.953 -17.424 -21.980 1.00 25.14 O ATOM 697 CB LEU A 47 8.870 -17.515 -22.334 1.00 71.44 C ATOM 698 CG LEU A 47 7.758 -18.412 -21.789 1.00 31.11 C ATOM 699 CD1 LEU A 47 6.606 -18.495 -22.778 1.00 34.11 C ATOM 700 CD2 LEU A 47 8.297 -19.801 -21.478 1.00 0.33 C ATOM 0 H LEU A 47 8.302 -15.285 -21.424 1.00 75.22 H new ATOM 0 HA LEU A 47 9.851 -17.459 -20.423 1.00 61.30 H new ATOM 0 HB2 LEU A 47 8.417 -16.757 -22.974 1.00 71.44 H new ATOM 0 HB3 LEU A 47 9.520 -18.120 -22.967 1.00 71.44 H new ATOM 0 HG LEU A 47 7.385 -17.973 -20.864 1.00 31.11 H new ATOM 0 HD11 LEU A 47 5.824 -19.138 -22.373 1.00 34.11 H new ATOM 0 HD12 LEU A 47 6.202 -17.497 -22.951 1.00 34.11 H new ATOM 0 HD13 LEU A 47 6.964 -18.910 -23.720 1.00 34.11 H new ATOM 0 HD21 LEU A 47 7.492 -20.426 -21.091 1.00 0.33 H new ATOM 0 HD22 LEU A 47 8.698 -20.248 -22.388 1.00 0.33 H new ATOM 0 HD23 LEU A 47 9.088 -19.726 -20.732 1.00 0.33 H new ATOM 712 N LYS A 48 11.357 -15.270 -22.231 1.00 13.11 N ATOM 713 CA LYS A 48 12.640 -14.865 -22.794 1.00 34.44 C ATOM 714 C LYS A 48 13.594 -14.404 -21.697 1.00 15.45 C ATOM 715 O LYS A 48 14.791 -14.240 -21.930 1.00 55.15 O ATOM 716 CB LYS A 48 12.440 -13.744 -23.816 1.00 65.31 C ATOM 717 CG LYS A 48 13.732 -13.272 -24.460 1.00 45.10 C ATOM 718 CD LYS A 48 13.486 -12.687 -25.841 1.00 1.14 C ATOM 719 CE LYS A 48 14.673 -11.863 -26.317 1.00 14.24 C ATOM 720 NZ LYS A 48 14.794 -10.581 -25.568 1.00 72.20 N ATOM 0 H LYS A 48 10.677 -14.514 -22.146 1.00 13.11 H new ATOM 0 HA LYS A 48 13.079 -15.729 -23.293 1.00 34.44 H new ATOM 0 HB2 LYS A 48 11.761 -14.091 -24.595 1.00 65.31 H new ATOM 0 HB3 LYS A 48 11.958 -12.898 -23.326 1.00 65.31 H new ATOM 0 HG2 LYS A 48 14.203 -12.522 -23.825 1.00 45.10 H new ATOM 0 HG3 LYS A 48 14.428 -14.108 -24.537 1.00 45.10 H new ATOM 0 HD2 LYS A 48 13.293 -13.493 -26.550 1.00 1.14 H new ATOM 0 HD3 LYS A 48 12.593 -12.062 -25.819 1.00 1.14 H new ATOM 0 HE2 LYS A 48 15.589 -12.442 -26.197 1.00 14.24 H new ATOM 0 HE3 LYS A 48 14.566 -11.653 -27.381 1.00 14.24 H new ATOM 0 HZ1 LYS A 48 15.426 -9.936 -26.084 1.00 72.20 H new ATOM 0 HZ2 LYS A 48 13.855 -10.144 -25.474 1.00 72.20 H new ATOM 0 HZ3 LYS A 48 15.186 -10.767 -24.623 1.00 72.20 H new ATOM 734 N ALA A 49 13.055 -14.197 -20.499 1.00 44.11 N ATOM 735 CA ALA A 49 13.860 -13.758 -19.366 1.00 13.34 C ATOM 736 C ALA A 49 14.294 -14.942 -18.509 1.00 61.20 C ATOM 737 O ALA A 49 13.548 -15.907 -18.341 1.00 21.02 O ATOM 738 CB ALA A 49 13.085 -12.753 -18.526 1.00 54.02 C ATOM 0 H ALA A 49 12.065 -14.326 -20.289 1.00 44.11 H new ATOM 0 HA ALA A 49 14.757 -13.276 -19.755 1.00 13.34 H new ATOM 0 HB1 ALA A 49 13.698 -12.434 -17.683 1.00 54.02 H new ATOM 0 HB2 ALA A 49 12.830 -11.888 -19.138 1.00 54.02 H new ATOM 0 HB3 ALA A 49 12.171 -13.217 -18.155 1.00 54.02 H new ATOM 744 N LYS A 50 15.506 -14.863 -17.970 1.00 31.43 N ATOM 745 CA LYS A 50 16.041 -15.928 -17.129 1.00 74.45 C ATOM 746 C LYS A 50 15.774 -15.644 -15.655 1.00 5.52 C ATOM 747 O LYS A 50 15.730 -16.559 -14.833 1.00 22.35 O ATOM 748 CB LYS A 50 17.544 -16.086 -17.366 1.00 63.31 C ATOM 749 CG LYS A 50 17.897 -17.239 -18.290 1.00 31.10 C ATOM 750 CD LYS A 50 19.396 -17.481 -18.332 1.00 64.50 C ATOM 751 CE LYS A 50 19.834 -18.037 -19.679 1.00 13.21 C ATOM 752 NZ LYS A 50 21.310 -17.957 -19.859 1.00 33.11 N ATOM 0 H LYS A 50 16.137 -14.072 -18.101 1.00 31.43 H new ATOM 0 HA LYS A 50 15.538 -16.857 -17.398 1.00 74.45 H new ATOM 0 HB2 LYS A 50 17.936 -15.160 -17.788 1.00 63.31 H new ATOM 0 HB3 LYS A 50 18.041 -16.235 -16.407 1.00 63.31 H new ATOM 0 HG2 LYS A 50 17.391 -18.144 -17.954 1.00 31.10 H new ATOM 0 HG3 LYS A 50 17.534 -17.025 -19.295 1.00 31.10 H new ATOM 0 HD2 LYS A 50 19.922 -16.547 -18.134 1.00 64.50 H new ATOM 0 HD3 LYS A 50 19.675 -18.178 -17.542 1.00 64.50 H new ATOM 0 HE2 LYS A 50 19.514 -19.075 -19.765 1.00 13.21 H new ATOM 0 HE3 LYS A 50 19.340 -17.484 -20.478 1.00 13.21 H new ATOM 0 HZ1 LYS A 50 21.568 -18.346 -20.789 1.00 33.11 H new ATOM 0 HZ2 LYS A 50 21.613 -16.964 -19.803 1.00 33.11 H new ATOM 0 HZ3 LYS A 50 21.781 -18.506 -19.112 1.00 33.11 H new ATOM 766 N THR A 51 15.596 -14.368 -15.326 1.00 2.22 N ATOM 767 CA THR A 51 15.334 -13.963 -13.951 1.00 10.44 C ATOM 768 C THR A 51 14.472 -12.707 -13.902 1.00 54.45 C ATOM 769 O THR A 51 14.218 -12.077 -14.929 1.00 52.34 O ATOM 770 CB THR A 51 16.643 -13.702 -13.182 1.00 64.33 C ATOM 771 OG1 THR A 51 17.343 -12.598 -13.767 1.00 64.51 O ATOM 772 CG2 THR A 51 17.532 -14.937 -13.194 1.00 43.30 C ATOM 0 H THR A 51 15.629 -13.598 -15.994 1.00 2.22 H new ATOM 0 HA THR A 51 14.800 -14.786 -13.477 1.00 10.44 H new ATOM 0 HB THR A 51 16.391 -13.465 -12.148 1.00 64.33 H new ATOM 0 HG1 THR A 51 18.173 -12.437 -13.271 1.00 64.51 H new ATOM 0 HG21 THR A 51 18.451 -14.729 -12.645 1.00 43.30 H new ATOM 0 HG22 THR A 51 17.007 -15.768 -12.722 1.00 43.30 H new ATOM 0 HG23 THR A 51 17.776 -15.200 -14.223 1.00 43.30 H new ATOM 780 N ARG A 52 14.024 -12.347 -12.704 1.00 22.22 N ATOM 781 CA ARG A 52 13.189 -11.166 -12.522 1.00 43.25 C ATOM 782 C ARG A 52 13.877 -9.923 -13.080 1.00 24.11 C ATOM 783 O ARG A 52 13.220 -8.949 -13.445 1.00 51.54 O ATOM 784 CB ARG A 52 12.870 -10.963 -11.040 1.00 60.32 C ATOM 785 CG ARG A 52 14.104 -10.877 -10.158 1.00 4.15 C ATOM 786 CD ARG A 52 13.915 -11.644 -8.858 1.00 53.40 C ATOM 787 NE ARG A 52 15.182 -11.876 -8.170 1.00 14.35 N ATOM 788 CZ ARG A 52 16.026 -12.849 -8.492 1.00 73.31 C ATOM 789 NH1 ARG A 52 15.739 -13.677 -9.488 1.00 3.32 N ATOM 790 NH2 ARG A 52 17.159 -12.996 -7.818 1.00 64.54 N ATOM 0 H ARG A 52 14.226 -12.857 -11.844 1.00 22.22 H new ATOM 0 HA ARG A 52 12.259 -11.322 -13.068 1.00 43.25 H new ATOM 0 HB2 ARG A 52 12.287 -10.049 -10.924 1.00 60.32 H new ATOM 0 HB3 ARG A 52 12.244 -11.786 -10.696 1.00 60.32 H new ATOM 0 HG2 ARG A 52 14.965 -11.276 -10.695 1.00 4.15 H new ATOM 0 HG3 ARG A 52 14.322 -9.832 -9.937 1.00 4.15 H new ATOM 0 HD2 ARG A 52 13.244 -11.088 -8.204 1.00 53.40 H new ATOM 0 HD3 ARG A 52 13.436 -12.600 -9.068 1.00 53.40 H new ATOM 0 HE ARG A 52 15.432 -11.256 -7.399 1.00 14.35 H new ATOM 0 HH11 ARG A 52 14.869 -13.567 -10.008 1.00 3.32 H new ATOM 0 HH12 ARG A 52 16.389 -14.424 -9.734 1.00 3.32 H new ATOM 0 HH21 ARG A 52 17.382 -12.361 -7.052 1.00 64.54 H new ATOM 0 HH22 ARG A 52 17.807 -13.744 -8.066 1.00 64.54 H new ATOM 804 N ASP A 53 15.204 -9.965 -13.141 1.00 73.13 N ATOM 805 CA ASP A 53 15.981 -8.843 -13.655 1.00 23.25 C ATOM 806 C ASP A 53 15.883 -8.764 -15.175 1.00 23.32 C ATOM 807 O ASP A 53 15.505 -7.733 -15.729 1.00 5.43 O ATOM 808 CB ASP A 53 17.445 -8.974 -13.231 1.00 43.25 C ATOM 809 CG ASP A 53 17.879 -7.863 -12.295 1.00 52.25 C ATOM 810 OD1 ASP A 53 17.414 -6.718 -12.478 1.00 70.43 O ATOM 811 OD2 ASP A 53 18.684 -8.137 -11.381 1.00 33.44 O ATOM 0 H ASP A 53 15.763 -10.763 -12.841 1.00 73.13 H new ATOM 0 HA ASP A 53 15.570 -7.925 -13.236 1.00 23.25 H new ATOM 0 HB2 ASP A 53 17.594 -9.936 -12.741 1.00 43.25 H new ATOM 0 HB3 ASP A 53 18.079 -8.966 -14.118 1.00 43.25 H new ATOM 816 N GLU A 54 16.227 -9.861 -15.843 1.00 25.13 N ATOM 817 CA GLU A 54 16.180 -9.914 -17.299 1.00 72.21 C ATOM 818 C GLU A 54 14.823 -9.444 -17.817 1.00 23.24 C ATOM 819 O GLU A 54 14.737 -8.777 -18.848 1.00 4.34 O ATOM 820 CB GLU A 54 16.460 -11.336 -17.789 1.00 70.42 C ATOM 821 CG GLU A 54 16.581 -11.447 -19.300 1.00 14.12 C ATOM 822 CD GLU A 54 17.307 -12.704 -19.737 1.00 21.24 C ATOM 823 OE1 GLU A 54 18.164 -13.191 -18.969 1.00 13.33 O ATOM 824 OE2 GLU A 54 17.020 -13.201 -20.845 1.00 71.33 O ATOM 0 H GLU A 54 16.541 -10.724 -15.399 1.00 25.13 H new ATOM 0 HA GLU A 54 16.949 -9.246 -17.686 1.00 72.21 H new ATOM 0 HB2 GLU A 54 17.383 -11.694 -17.332 1.00 70.42 H new ATOM 0 HB3 GLU A 54 15.660 -11.993 -17.448 1.00 70.42 H new ATOM 0 HG2 GLU A 54 15.585 -11.435 -19.742 1.00 14.12 H new ATOM 0 HG3 GLU A 54 17.110 -10.575 -19.683 1.00 14.12 H new ATOM 831 N TYR A 55 13.766 -9.798 -17.094 1.00 4.01 N ATOM 832 CA TYR A 55 12.413 -9.416 -17.481 1.00 5.34 C ATOM 833 C TYR A 55 12.155 -7.944 -17.174 1.00 15.24 C ATOM 834 O TYR A 55 11.869 -7.151 -18.072 1.00 14.23 O ATOM 835 CB TYR A 55 11.388 -10.288 -16.755 1.00 15.31 C ATOM 836 CG TYR A 55 9.963 -9.805 -16.912 1.00 63.13 C ATOM 837 CD1 TYR A 55 9.259 -10.029 -18.089 1.00 45.34 C ATOM 838 CD2 TYR A 55 9.322 -9.125 -15.885 1.00 13.32 C ATOM 839 CE1 TYR A 55 7.958 -9.589 -18.238 1.00 62.01 C ATOM 840 CE2 TYR A 55 8.020 -8.683 -16.024 1.00 44.21 C ATOM 841 CZ TYR A 55 7.343 -8.917 -17.203 1.00 30.15 C ATOM 842 OH TYR A 55 6.047 -8.477 -17.346 1.00 30.22 O ATOM 0 H TYR A 55 13.820 -10.349 -16.237 1.00 4.01 H new ATOM 0 HA TYR A 55 12.312 -9.567 -18.556 1.00 5.34 H new ATOM 0 HB2 TYR A 55 11.460 -11.309 -17.131 1.00 15.31 H new ATOM 0 HB3 TYR A 55 11.637 -10.320 -15.694 1.00 15.31 H new ATOM 0 HD1 TYR A 55 9.737 -10.556 -18.901 1.00 45.34 H new ATOM 0 HD2 TYR A 55 9.850 -8.938 -14.962 1.00 13.32 H new ATOM 0 HE1 TYR A 55 7.426 -9.770 -19.160 1.00 62.01 H new ATOM 0 HE2 TYR A 55 7.535 -8.158 -15.214 1.00 44.21 H new ATOM 0 HH TYR A 55 5.605 -8.472 -16.471 1.00 30.22 H new ATOM 852 N LEU A 56 12.257 -7.585 -15.899 1.00 23.54 N ATOM 853 CA LEU A 56 12.035 -6.209 -15.471 1.00 3.44 C ATOM 854 C LEU A 56 12.846 -5.236 -16.321 1.00 65.41 C ATOM 855 O LEU A 56 12.432 -4.100 -16.549 1.00 32.02 O ATOM 856 CB LEU A 56 12.407 -6.046 -13.996 1.00 32.14 C ATOM 857 CG LEU A 56 11.315 -6.402 -12.985 1.00 44.24 C ATOM 858 CD1 LEU A 56 11.931 -6.910 -11.691 1.00 62.42 C ATOM 859 CD2 LEU A 56 10.424 -5.198 -12.717 1.00 42.11 C ATOM 0 H LEU A 56 12.492 -8.228 -15.143 1.00 23.54 H new ATOM 0 HA LEU A 56 10.977 -5.981 -15.600 1.00 3.44 H new ATOM 0 HB2 LEU A 56 13.280 -6.666 -13.791 1.00 32.14 H new ATOM 0 HB3 LEU A 56 12.705 -5.011 -13.829 1.00 32.14 H new ATOM 0 HG LEU A 56 10.700 -7.197 -13.407 1.00 44.24 H new ATOM 0 HD11 LEU A 56 11.139 -7.158 -10.984 1.00 62.42 H new ATOM 0 HD12 LEU A 56 12.526 -7.800 -11.896 1.00 62.42 H new ATOM 0 HD13 LEU A 56 12.570 -6.137 -11.264 1.00 62.42 H new ATOM 0 HD21 LEU A 56 9.653 -5.469 -11.996 1.00 42.11 H new ATOM 0 HD22 LEU A 56 11.025 -4.382 -12.316 1.00 42.11 H new ATOM 0 HD23 LEU A 56 9.954 -4.879 -13.647 1.00 42.11 H new ATOM 871 N SER A 57 14.004 -5.692 -16.790 1.00 11.10 N ATOM 872 CA SER A 57 14.874 -4.862 -17.615 1.00 3.05 C ATOM 873 C SER A 57 14.299 -4.698 -19.018 1.00 32.20 C ATOM 874 O SER A 57 14.118 -3.580 -19.501 1.00 50.30 O ATOM 875 CB SER A 57 16.274 -5.475 -17.693 1.00 52.03 C ATOM 876 OG SER A 57 17.249 -4.485 -17.971 1.00 62.32 O ATOM 0 H SER A 57 14.361 -6.631 -16.613 1.00 11.10 H new ATOM 0 HA SER A 57 14.941 -3.877 -17.152 1.00 3.05 H new ATOM 0 HB2 SER A 57 16.511 -5.969 -16.751 1.00 52.03 H new ATOM 0 HB3 SER A 57 16.297 -6.240 -18.469 1.00 52.03 H new ATOM 0 HG SER A 57 18.135 -4.901 -18.014 1.00 62.32 H new ATOM 882 N LEU A 58 14.013 -5.821 -19.668 1.00 31.02 N ATOM 883 CA LEU A 58 13.457 -5.804 -21.017 1.00 24.14 C ATOM 884 C LEU A 58 12.132 -5.050 -21.050 1.00 42.44 C ATOM 885 O LEU A 58 11.889 -4.240 -21.946 1.00 22.15 O ATOM 886 CB LEU A 58 13.257 -7.233 -21.525 1.00 11.12 C ATOM 887 CG LEU A 58 14.491 -7.914 -22.117 1.00 41.03 C ATOM 888 CD1 LEU A 58 14.508 -9.392 -21.761 1.00 31.34 C ATOM 889 CD2 LEU A 58 14.530 -7.727 -23.627 1.00 22.20 C ATOM 0 H LEU A 58 14.157 -6.755 -19.283 1.00 31.02 H new ATOM 0 HA LEU A 58 14.163 -5.289 -21.668 1.00 24.14 H new ATOM 0 HB2 LEU A 58 12.891 -7.843 -20.699 1.00 11.12 H new ATOM 0 HB3 LEU A 58 12.474 -7.221 -22.283 1.00 11.12 H new ATOM 0 HG LEU A 58 15.379 -7.448 -21.690 1.00 41.03 H new ATOM 0 HD11 LEU A 58 15.394 -9.860 -22.191 1.00 31.34 H new ATOM 0 HD12 LEU A 58 14.528 -9.505 -20.677 1.00 31.34 H new ATOM 0 HD13 LEU A 58 13.614 -9.872 -22.159 1.00 31.34 H new ATOM 0 HD21 LEU A 58 15.415 -8.218 -24.032 1.00 22.20 H new ATOM 0 HD22 LEU A 58 13.636 -8.166 -24.071 1.00 22.20 H new ATOM 0 HD23 LEU A 58 14.567 -6.663 -23.861 1.00 22.20 H new ATOM 901 N VAL A 59 11.279 -5.319 -20.068 1.00 15.03 N ATOM 902 CA VAL A 59 9.979 -4.663 -19.983 1.00 20.33 C ATOM 903 C VAL A 59 10.132 -3.149 -19.890 1.00 25.32 C ATOM 904 O VAL A 59 9.619 -2.410 -20.729 1.00 72.51 O ATOM 905 CB VAL A 59 9.177 -5.163 -18.766 1.00 51.43 C ATOM 906 CG1 VAL A 59 7.778 -4.565 -18.767 1.00 2.20 C ATOM 907 CG2 VAL A 59 9.116 -6.683 -18.756 1.00 41.43 C ATOM 0 H VAL A 59 11.464 -5.987 -19.320 1.00 15.03 H new ATOM 0 HA VAL A 59 9.437 -4.915 -20.895 1.00 20.33 H new ATOM 0 HB VAL A 59 9.685 -4.837 -17.859 1.00 51.43 H new ATOM 0 HG11 VAL A 59 7.226 -4.929 -17.901 1.00 2.20 H new ATOM 0 HG12 VAL A 59 7.847 -3.478 -18.723 1.00 2.20 H new ATOM 0 HG13 VAL A 59 7.257 -4.859 -19.678 1.00 2.20 H new ATOM 0 HG21 VAL A 59 8.546 -7.019 -17.890 1.00 41.43 H new ATOM 0 HG22 VAL A 59 8.632 -7.034 -19.667 1.00 41.43 H new ATOM 0 HG23 VAL A 59 10.127 -7.087 -18.704 1.00 41.43 H new ATOM 917 N ALA A 60 10.843 -2.694 -18.863 1.00 64.13 N ATOM 918 CA ALA A 60 11.067 -1.268 -18.662 1.00 1.13 C ATOM 919 C ALA A 60 11.582 -0.607 -19.936 1.00 74.32 C ATOM 920 O ALA A 60 11.013 0.377 -20.409 1.00 61.25 O ATOM 921 CB ALA A 60 12.044 -1.044 -17.517 1.00 42.52 C ATOM 0 H ALA A 60 11.273 -3.292 -18.158 1.00 64.13 H new ATOM 0 HA ALA A 60 10.112 -0.808 -18.407 1.00 1.13 H new ATOM 0 HB1 ALA A 60 12.202 0.025 -17.378 1.00 42.52 H new ATOM 0 HB2 ALA A 60 11.636 -1.473 -16.602 1.00 42.52 H new ATOM 0 HB3 ALA A 60 12.994 -1.524 -17.750 1.00 42.52 H new ATOM 927 N ARG A 61 12.661 -1.154 -20.487 1.00 35.24 N ATOM 928 CA ARG A 61 13.253 -0.616 -21.705 1.00 75.24 C ATOM 929 C ARG A 61 12.192 -0.422 -22.785 1.00 70.12 C ATOM 930 O ARG A 61 12.186 0.588 -23.490 1.00 15.22 O ATOM 931 CB ARG A 61 14.353 -1.548 -22.218 1.00 14.33 C ATOM 932 CG ARG A 61 14.908 -1.146 -23.574 1.00 43.21 C ATOM 933 CD ARG A 61 14.212 -1.888 -24.704 1.00 15.13 C ATOM 934 NE ARG A 61 15.080 -2.057 -25.865 1.00 43.25 N ATOM 935 CZ ARG A 61 16.079 -2.932 -25.916 1.00 13.54 C ATOM 936 NH1 ARG A 61 16.333 -3.713 -24.875 1.00 13.21 N ATOM 937 NH2 ARG A 61 16.825 -3.026 -27.009 1.00 20.44 N ATOM 0 H ARG A 61 13.143 -1.970 -20.109 1.00 35.24 H new ATOM 0 HA ARG A 61 13.689 0.355 -21.469 1.00 75.24 H new ATOM 0 HB2 ARG A 61 15.167 -1.569 -21.493 1.00 14.33 H new ATOM 0 HB3 ARG A 61 13.958 -2.562 -22.283 1.00 14.33 H new ATOM 0 HG2 ARG A 61 14.787 -0.072 -23.714 1.00 43.21 H new ATOM 0 HG3 ARG A 61 15.978 -1.353 -23.606 1.00 43.21 H new ATOM 0 HD2 ARG A 61 13.887 -2.866 -24.349 1.00 15.13 H new ATOM 0 HD3 ARG A 61 13.316 -1.342 -24.998 1.00 15.13 H new ATOM 0 HE ARG A 61 14.911 -1.471 -26.683 1.00 43.25 H new ATOM 0 HH11 ARG A 61 15.761 -3.643 -24.033 1.00 13.21 H new ATOM 0 HH12 ARG A 61 17.100 -4.384 -24.916 1.00 13.21 H new ATOM 0 HH21 ARG A 61 16.632 -2.426 -27.811 1.00 20.44 H new ATOM 0 HH22 ARG A 61 17.591 -3.698 -27.047 1.00 20.44 H new ATOM 951 N LEU A 62 11.297 -1.396 -22.910 1.00 22.10 N ATOM 952 CA LEU A 62 10.232 -1.333 -23.904 1.00 75.22 C ATOM 953 C LEU A 62 9.304 -0.152 -23.635 1.00 23.53 C ATOM 954 O LEU A 62 9.098 0.698 -24.501 1.00 61.33 O ATOM 955 CB LEU A 62 9.430 -2.636 -23.905 1.00 20.14 C ATOM 956 CG LEU A 62 8.262 -2.705 -24.889 1.00 34.15 C ATOM 957 CD1 LEU A 62 8.297 -4.010 -25.668 1.00 72.32 C ATOM 958 CD2 LEU A 62 6.937 -2.556 -24.155 1.00 11.52 C ATOM 0 H LEU A 62 11.288 -2.239 -22.335 1.00 22.10 H new ATOM 0 HA LEU A 62 10.691 -1.195 -24.883 1.00 75.22 H new ATOM 0 HB2 LEU A 62 10.111 -3.458 -24.123 1.00 20.14 H new ATOM 0 HB3 LEU A 62 9.042 -2.801 -22.900 1.00 20.14 H new ATOM 0 HG LEU A 62 8.358 -1.881 -25.596 1.00 34.15 H new ATOM 0 HD11 LEU A 62 7.458 -4.041 -26.363 1.00 72.32 H new ATOM 0 HD12 LEU A 62 9.232 -4.077 -26.224 1.00 72.32 H new ATOM 0 HD13 LEU A 62 8.226 -4.849 -24.976 1.00 72.32 H new ATOM 0 HD21 LEU A 62 6.117 -2.607 -24.871 1.00 11.52 H new ATOM 0 HD22 LEU A 62 6.833 -3.359 -23.425 1.00 11.52 H new ATOM 0 HD23 LEU A 62 6.911 -1.594 -23.642 1.00 11.52 H new ATOM 970 N ILE A 63 8.750 -0.106 -22.428 1.00 51.41 N ATOM 971 CA ILE A 63 7.848 0.973 -22.044 1.00 33.22 C ATOM 972 C ILE A 63 8.516 2.334 -22.209 1.00 74.44 C ATOM 973 O ILE A 63 7.976 3.225 -22.865 1.00 0.40 O ATOM 974 CB ILE A 63 7.376 0.819 -20.586 1.00 15.20 C ATOM 975 CG1 ILE A 63 6.354 -0.314 -20.475 1.00 31.44 C ATOM 976 CG2 ILE A 63 6.782 2.126 -20.081 1.00 21.10 C ATOM 977 CD1 ILE A 63 5.969 -0.643 -19.049 1.00 64.41 C ATOM 0 H ILE A 63 8.910 -0.802 -21.700 1.00 51.41 H new ATOM 0 HA ILE A 63 6.984 0.913 -22.706 1.00 33.22 H new ATOM 0 HB ILE A 63 8.237 0.569 -19.965 1.00 15.20 H new ATOM 0 HG12 ILE A 63 5.457 -0.039 -21.031 1.00 31.44 H new ATOM 0 HG13 ILE A 63 6.761 -1.207 -20.948 1.00 31.44 H new ATOM 0 HG21 ILE A 63 6.453 2.001 -19.049 1.00 21.10 H new ATOM 0 HG22 ILE A 63 7.537 2.911 -20.129 1.00 21.10 H new ATOM 0 HG23 ILE A 63 5.930 2.403 -20.703 1.00 21.10 H new ATOM 0 HD11 ILE A 63 5.242 -1.455 -19.047 1.00 64.41 H new ATOM 0 HD12 ILE A 63 6.856 -0.949 -18.494 1.00 64.41 H new ATOM 0 HD13 ILE A 63 5.532 0.237 -18.578 1.00 64.41 H new ATOM 989 N ILE A 64 9.693 2.485 -21.612 1.00 51.14 N ATOM 990 CA ILE A 64 10.436 3.736 -21.696 1.00 40.33 C ATOM 991 C ILE A 64 10.582 4.193 -23.144 1.00 14.21 C ATOM 992 O ILE A 64 10.442 5.378 -23.449 1.00 61.04 O ATOM 993 CB ILE A 64 11.836 3.603 -21.069 1.00 21.24 C ATOM 994 CG1 ILE A 64 11.723 3.385 -19.558 1.00 61.34 C ATOM 995 CG2 ILE A 64 12.672 4.838 -21.370 1.00 15.01 C ATOM 996 CD1 ILE A 64 12.650 2.312 -19.032 1.00 21.41 C ATOM 0 H ILE A 64 10.153 1.757 -21.065 1.00 51.14 H new ATOM 0 HA ILE A 64 9.866 4.479 -21.138 1.00 40.33 H new ATOM 0 HB ILE A 64 12.333 2.737 -21.507 1.00 21.24 H new ATOM 0 HG12 ILE A 64 11.939 4.323 -19.047 1.00 61.34 H new ATOM 0 HG13 ILE A 64 10.695 3.118 -19.313 1.00 61.34 H new ATOM 0 HG21 ILE A 64 13.659 4.728 -20.920 1.00 15.01 H new ATOM 0 HG22 ILE A 64 12.776 4.953 -22.449 1.00 15.01 H new ATOM 0 HG23 ILE A 64 12.181 5.719 -20.957 1.00 15.01 H new ATOM 0 HD11 ILE A 64 12.516 2.212 -17.955 1.00 21.41 H new ATOM 0 HD12 ILE A 64 12.420 1.363 -19.516 1.00 21.41 H new ATOM 0 HD13 ILE A 64 13.683 2.587 -19.245 1.00 21.41 H new ATOM 1008 N HIS A 65 10.861 3.245 -24.033 1.00 4.13 N ATOM 1009 CA HIS A 65 11.023 3.550 -25.450 1.00 25.41 C ATOM 1010 C HIS A 65 9.728 4.099 -26.039 1.00 51.41 C ATOM 1011 O HIS A 65 9.749 4.992 -26.887 1.00 22.02 O ATOM 1012 CB HIS A 65 11.455 2.299 -26.216 1.00 22.22 C ATOM 1013 CG HIS A 65 12.491 2.566 -27.264 1.00 41.00 C ATOM 1014 ND1 HIS A 65 13.439 1.637 -27.640 1.00 13.43 N ATOM 1015 CD2 HIS A 65 12.724 3.665 -28.019 1.00 12.33 C ATOM 1016 CE1 HIS A 65 14.211 2.155 -28.579 1.00 34.52 C ATOM 1017 NE2 HIS A 65 13.797 3.384 -28.827 1.00 45.24 N ATOM 0 H HIS A 65 10.980 2.260 -23.797 1.00 4.13 H new ATOM 0 HA HIS A 65 11.797 4.312 -25.546 1.00 25.41 H new ATOM 0 HB2 HIS A 65 11.846 1.567 -25.509 1.00 22.22 H new ATOM 0 HB3 HIS A 65 10.580 1.852 -26.688 1.00 22.22 H new ATOM 0 HD2 HIS A 65 12.169 4.591 -27.991 1.00 12.33 H new ATOM 0 HE1 HIS A 65 15.040 1.658 -29.061 1.00 34.52 H new ATOM 0 HE2 HIS A 65 14.208 4.021 -29.509 1.00 45.24 H new ATOM 1025 N PHE A 66 8.601 3.560 -25.585 1.00 4.21 N ATOM 1026 CA PHE A 66 7.296 3.996 -26.068 1.00 63.54 C ATOM 1027 C PHE A 66 7.004 5.428 -25.631 1.00 22.23 C ATOM 1028 O PHE A 66 6.584 6.260 -26.434 1.00 40.34 O ATOM 1029 CB PHE A 66 6.200 3.060 -25.554 1.00 63.44 C ATOM 1030 CG PHE A 66 6.003 1.841 -26.410 1.00 22.33 C ATOM 1031 CD1 PHE A 66 5.884 1.955 -27.785 1.00 55.32 C ATOM 1032 CD2 PHE A 66 5.937 0.580 -25.838 1.00 2.42 C ATOM 1033 CE1 PHE A 66 5.702 0.836 -28.575 1.00 64.42 C ATOM 1034 CE2 PHE A 66 5.757 -0.543 -26.623 1.00 13.23 C ATOM 1035 CZ PHE A 66 5.638 -0.415 -27.993 1.00 31.01 C ATOM 0 H PHE A 66 8.565 2.821 -24.883 1.00 4.21 H new ATOM 0 HA PHE A 66 7.311 3.964 -27.157 1.00 63.54 H new ATOM 0 HB2 PHE A 66 6.447 2.746 -24.540 1.00 63.44 H new ATOM 0 HB3 PHE A 66 5.261 3.610 -25.497 1.00 63.44 H new ATOM 0 HD1 PHE A 66 5.934 2.931 -28.246 1.00 55.32 H new ATOM 0 HD2 PHE A 66 6.027 0.474 -24.767 1.00 2.42 H new ATOM 0 HE1 PHE A 66 5.610 0.939 -29.646 1.00 64.42 H new ATOM 0 HE2 PHE A 66 5.709 -1.520 -26.165 1.00 13.23 H new ATOM 0 HZ PHE A 66 5.495 -1.291 -28.608 1.00 31.01 H new ATOM 1045 N ARG A 67 7.229 5.707 -24.351 1.00 24.41 N ATOM 1046 CA ARG A 67 6.989 7.037 -23.805 1.00 60.10 C ATOM 1047 C ARG A 67 7.825 8.084 -24.536 1.00 32.31 C ATOM 1048 O ARG A 67 7.346 9.179 -24.831 1.00 5.01 O ATOM 1049 CB ARG A 67 7.312 7.064 -22.310 1.00 30.00 C ATOM 1050 CG ARG A 67 6.373 6.215 -21.469 1.00 23.34 C ATOM 1051 CD ARG A 67 7.131 5.428 -20.411 1.00 2.35 C ATOM 1052 NE ARG A 67 6.292 5.112 -19.258 1.00 1.33 N ATOM 1053 CZ ARG A 67 6.776 4.781 -18.066 1.00 15.34 C ATOM 1054 NH1 ARG A 67 8.086 4.724 -17.870 1.00 73.35 N ATOM 1055 NH2 ARG A 67 5.948 4.507 -17.065 1.00 53.53 N ATOM 0 H ARG A 67 7.577 5.029 -23.673 1.00 24.41 H new ATOM 0 HA ARG A 67 5.935 7.275 -23.946 1.00 60.10 H new ATOM 0 HB2 ARG A 67 8.334 6.716 -22.161 1.00 30.00 H new ATOM 0 HB3 ARG A 67 7.271 8.094 -21.957 1.00 30.00 H new ATOM 0 HG2 ARG A 67 5.634 6.856 -20.988 1.00 23.34 H new ATOM 0 HG3 ARG A 67 5.827 5.527 -22.114 1.00 23.34 H new ATOM 0 HD2 ARG A 67 7.509 4.504 -20.848 1.00 2.35 H new ATOM 0 HD3 ARG A 67 7.997 6.003 -20.083 1.00 2.35 H new ATOM 0 HE ARG A 67 5.279 5.147 -19.374 1.00 1.33 H new ATOM 0 HH11 ARG A 67 8.726 4.935 -18.636 1.00 73.35 H new ATOM 0 HH12 ARG A 67 8.454 4.469 -16.953 1.00 73.35 H new ATOM 0 HH21 ARG A 67 4.939 4.551 -17.211 1.00 53.53 H new ATOM 0 HH22 ARG A 67 6.320 4.253 -16.150 1.00 53.53 H new ATOM 1069 N ASP A 68 9.075 7.739 -24.824 1.00 71.12 N ATOM 1070 CA ASP A 68 9.977 8.648 -25.521 1.00 5.11 C ATOM 1071 C ASP A 68 9.436 8.997 -26.904 1.00 25.11 C ATOM 1072 O ASP A 68 9.378 10.168 -27.281 1.00 64.32 O ATOM 1073 CB ASP A 68 11.368 8.024 -25.646 1.00 61.21 C ATOM 1074 CG ASP A 68 12.437 8.847 -24.954 1.00 34.23 C ATOM 1075 OD1 ASP A 68 12.623 8.669 -23.732 1.00 65.41 O ATOM 1076 OD2 ASP A 68 13.086 9.670 -25.633 1.00 75.33 O ATOM 0 H ASP A 68 9.487 6.837 -24.586 1.00 71.12 H new ATOM 0 HA ASP A 68 10.050 9.566 -24.938 1.00 5.11 H new ATOM 0 HB2 ASP A 68 11.353 7.021 -25.219 1.00 61.21 H new ATOM 0 HB3 ASP A 68 11.622 7.918 -26.701 1.00 61.21 H new ATOM 1081 N ILE A 69 9.043 7.974 -27.655 1.00 21.10 N ATOM 1082 CA ILE A 69 8.507 8.173 -28.996 1.00 22.22 C ATOM 1083 C ILE A 69 7.363 9.181 -28.987 1.00 30.24 C ATOM 1084 O ILE A 69 7.329 10.105 -29.799 1.00 51.25 O ATOM 1085 CB ILE A 69 8.006 6.850 -29.604 1.00 32.42 C ATOM 1086 CG1 ILE A 69 9.151 5.839 -29.694 1.00 74.53 C ATOM 1087 CG2 ILE A 69 7.398 7.094 -30.977 1.00 2.31 C ATOM 1088 CD1 ILE A 69 8.704 4.403 -29.525 1.00 40.31 C ATOM 0 H ILE A 69 9.086 6.999 -27.358 1.00 21.10 H new ATOM 0 HA ILE A 69 9.323 8.559 -29.608 1.00 22.22 H new ATOM 0 HB ILE A 69 7.233 6.439 -28.955 1.00 32.42 H new ATOM 0 HG12 ILE A 69 9.644 5.946 -30.660 1.00 74.53 H new ATOM 0 HG13 ILE A 69 9.892 6.073 -28.930 1.00 74.53 H new ATOM 0 HG21 ILE A 69 7.049 6.149 -31.393 1.00 2.31 H new ATOM 0 HG22 ILE A 69 6.558 7.783 -30.886 1.00 2.31 H new ATOM 0 HG23 ILE A 69 8.151 7.525 -31.637 1.00 2.31 H new ATOM 0 HD11 ILE A 69 9.567 3.742 -29.600 1.00 40.31 H new ATOM 0 HD12 ILE A 69 8.237 4.280 -28.548 1.00 40.31 H new ATOM 0 HD13 ILE A 69 7.985 4.151 -30.305 1.00 40.31 H new ATOM 1100 N HIS A 70 6.427 8.997 -28.060 1.00 45.42 N ATOM 1101 CA HIS A 70 5.282 9.893 -27.943 1.00 32.42 C ATOM 1102 C HIS A 70 5.737 11.339 -27.774 1.00 65.13 C ATOM 1103 O HIS A 70 5.333 12.219 -28.532 1.00 51.33 O ATOM 1104 CB HIS A 70 4.405 9.481 -26.760 1.00 21.31 C ATOM 1105 CG HIS A 70 3.322 10.466 -26.445 1.00 43.51 C ATOM 1106 ND1 HIS A 70 3.267 11.172 -25.261 1.00 63.44 N ATOM 1107 CD2 HIS A 70 2.250 10.865 -27.169 1.00 32.55 C ATOM 1108 CE1 HIS A 70 2.207 11.959 -25.270 1.00 11.45 C ATOM 1109 NE2 HIS A 70 1.573 11.792 -26.416 1.00 14.40 N ATOM 0 H HIS A 70 6.439 8.237 -27.380 1.00 45.42 H new ATOM 0 HA HIS A 70 4.700 9.820 -28.862 1.00 32.42 H new ATOM 0 HB2 HIS A 70 3.953 8.512 -26.974 1.00 21.31 H new ATOM 0 HB3 HIS A 70 5.034 9.352 -25.880 1.00 21.31 H new ATOM 0 HD1 HIS A 70 3.940 11.098 -24.498 1.00 63.44 H new ATOM 0 HD2 HIS A 70 1.978 10.519 -28.155 1.00 32.55 H new ATOM 0 HE1 HIS A 70 1.909 12.626 -24.475 1.00 11.45 H new ATOM 1117 N ASN A 71 6.581 11.576 -26.775 1.00 62.21 N ATOM 1118 CA ASN A 71 7.091 12.916 -26.506 1.00 74.34 C ATOM 1119 C ASN A 71 7.916 13.430 -27.682 1.00 22.31 C ATOM 1120 O ASN A 71 8.020 14.637 -27.902 1.00 75.42 O ATOM 1121 CB ASN A 71 7.940 12.915 -25.234 1.00 11.33 C ATOM 1122 CG ASN A 71 7.766 14.184 -24.422 1.00 51.41 C ATOM 1123 OD1 ASN A 71 8.063 15.282 -24.894 1.00 74.02 O ATOM 1124 ND2 ASN A 71 7.283 14.039 -23.194 1.00 11.34 N ATOM 0 H ASN A 71 6.926 10.858 -26.138 1.00 62.21 H new ATOM 0 HA ASN A 71 6.239 13.581 -26.365 1.00 74.34 H new ATOM 0 HB2 ASN A 71 7.670 12.055 -24.621 1.00 11.33 H new ATOM 0 HB3 ASN A 71 8.990 12.799 -25.501 1.00 11.33 H new ATOM 0 HD21 ASN A 71 7.144 14.857 -22.601 1.00 11.34 H new ATOM 0 HD22 ASN A 71 7.050 13.110 -22.844 1.00 11.34 H new ATOM 1131 N LYS A 72 8.502 12.505 -28.435 1.00 45.20 N ATOM 1132 CA LYS A 72 9.318 12.863 -29.590 1.00 32.32 C ATOM 1133 C LYS A 72 10.166 14.096 -29.296 1.00 55.34 C ATOM 1134 O LYS A 72 10.307 14.980 -30.141 1.00 44.45 O ATOM 1135 CB LYS A 72 8.428 13.120 -30.808 1.00 41.11 C ATOM 1136 CG LYS A 72 7.493 14.305 -30.639 1.00 30.11 C ATOM 1137 CD LYS A 72 6.976 14.803 -31.978 1.00 73.20 C ATOM 1138 CE LYS A 72 5.886 13.895 -32.527 1.00 72.10 C ATOM 1139 NZ LYS A 72 5.207 14.495 -33.709 1.00 1.01 N ATOM 0 H LYS A 72 8.427 11.502 -28.266 1.00 45.20 H new ATOM 0 HA LYS A 72 9.986 12.029 -29.805 1.00 32.32 H new ATOM 0 HB2 LYS A 72 9.060 13.288 -31.680 1.00 41.11 H new ATOM 0 HB3 LYS A 72 7.836 12.227 -31.010 1.00 41.11 H new ATOM 0 HG2 LYS A 72 6.652 14.019 -30.007 1.00 30.11 H new ATOM 0 HG3 LYS A 72 8.016 15.112 -30.127 1.00 30.11 H new ATOM 0 HD2 LYS A 72 6.586 15.815 -31.865 1.00 73.20 H new ATOM 0 HD3 LYS A 72 7.799 14.856 -32.690 1.00 73.20 H new ATOM 0 HE2 LYS A 72 6.320 12.935 -32.806 1.00 72.10 H new ATOM 0 HE3 LYS A 72 5.151 13.698 -31.747 1.00 72.10 H new ATOM 0 HZ1 LYS A 72 4.471 13.846 -34.053 1.00 1.01 H new ATOM 0 HZ2 LYS A 72 4.771 15.399 -33.437 1.00 1.01 H new ATOM 0 HZ3 LYS A 72 5.904 14.660 -34.463 1.00 1.01 H new ATOM 1153 N LYS A 73 10.729 14.149 -28.094 1.00 53.32 N ATOM 1154 CA LYS A 73 11.565 15.273 -27.689 1.00 63.24 C ATOM 1155 C LYS A 73 13.020 15.039 -28.086 1.00 35.12 C ATOM 1156 O LYS A 73 13.592 15.803 -28.863 1.00 14.32 O ATOM 1157 CB LYS A 73 11.466 15.490 -26.178 1.00 3.42 C ATOM 1158 CG LYS A 73 11.649 16.939 -25.759 1.00 32.14 C ATOM 1159 CD LYS A 73 12.018 17.052 -24.289 1.00 33.31 C ATOM 1160 CE LYS A 73 13.514 16.881 -24.075 1.00 32.40 C ATOM 1161 NZ LYS A 73 14.128 18.089 -23.458 1.00 52.14 N ATOM 0 H LYS A 73 10.622 13.426 -27.383 1.00 53.32 H new ATOM 0 HA LYS A 73 11.205 16.165 -28.202 1.00 63.24 H new ATOM 0 HB2 LYS A 73 10.493 15.140 -25.832 1.00 3.42 H new ATOM 0 HB3 LYS A 73 12.220 14.879 -25.681 1.00 3.42 H new ATOM 0 HG2 LYS A 73 12.428 17.399 -26.367 1.00 32.14 H new ATOM 0 HG3 LYS A 73 10.729 17.492 -25.948 1.00 32.14 H new ATOM 0 HD2 LYS A 73 11.704 18.023 -23.908 1.00 33.31 H new ATOM 0 HD3 LYS A 73 11.479 16.296 -23.718 1.00 33.31 H new ATOM 0 HE2 LYS A 73 13.693 16.016 -23.436 1.00 32.40 H new ATOM 0 HE3 LYS A 73 13.996 16.676 -25.031 1.00 32.40 H new ATOM 0 HZ1 LYS A 73 15.148 17.932 -23.329 1.00 52.14 H new ATOM 0 HZ2 LYS A 73 13.980 18.910 -24.079 1.00 52.14 H new ATOM 0 HZ3 LYS A 73 13.686 18.270 -22.534 1.00 52.14 H new ATOM 1175 N SER A 74 13.611 13.977 -27.548 1.00 44.21 N ATOM 1176 CA SER A 74 15.000 13.644 -27.844 1.00 52.22 C ATOM 1177 C SER A 74 15.081 12.515 -28.867 1.00 24.01 C ATOM 1178 O SER A 74 15.948 12.517 -29.740 1.00 63.34 O ATOM 1179 CB SER A 74 15.734 13.242 -26.564 1.00 3.12 C ATOM 1180 OG SER A 74 15.714 14.293 -25.613 1.00 21.40 O ATOM 0 H SER A 74 13.150 13.333 -26.905 1.00 44.21 H new ATOM 0 HA SER A 74 15.478 14.528 -28.266 1.00 52.22 H new ATOM 0 HB2 SER A 74 15.269 12.353 -26.138 1.00 3.12 H new ATOM 0 HB3 SER A 74 16.766 12.980 -26.800 1.00 3.12 H new ATOM 0 HG SER A 74 16.188 14.010 -24.803 1.00 21.40 H new ATOM 1186 N GLN A 75 14.172 11.553 -28.750 1.00 61.42 N ATOM 1187 CA GLN A 75 14.141 10.417 -29.664 1.00 23.43 C ATOM 1188 C GLN A 75 12.709 10.081 -30.066 1.00 63.45 C ATOM 1189 O GLN A 75 11.888 9.714 -29.227 1.00 31.52 O ATOM 1190 CB GLN A 75 14.801 9.197 -29.017 1.00 43.43 C ATOM 1191 CG GLN A 75 14.747 7.947 -29.880 1.00 52.12 C ATOM 1192 CD GLN A 75 13.633 7.004 -29.471 1.00 71.30 C ATOM 1193 OE1 GLN A 75 13.322 6.868 -28.287 1.00 63.33 O ATOM 1194 NE2 GLN A 75 13.024 6.346 -30.451 1.00 24.52 N ATOM 0 H GLN A 75 13.448 11.537 -28.032 1.00 61.42 H new ATOM 0 HA GLN A 75 14.697 10.689 -30.561 1.00 23.43 H new ATOM 0 HB2 GLN A 75 15.842 9.432 -28.797 1.00 43.43 H new ATOM 0 HB3 GLN A 75 14.312 8.992 -28.065 1.00 43.43 H new ATOM 0 HG2 GLN A 75 14.610 8.235 -30.922 1.00 52.12 H new ATOM 0 HG3 GLN A 75 15.702 7.425 -29.817 1.00 52.12 H new ATOM 0 HE21 GLN A 75 13.314 6.489 -31.418 1.00 24.52 H new ATOM 0 HE22 GLN A 75 12.266 5.698 -30.236 1.00 24.52 H new ATOM 1203 N ALA A 76 12.417 10.209 -31.357 1.00 0.25 N ATOM 1204 CA ALA A 76 11.085 9.918 -31.871 1.00 34.43 C ATOM 1205 C ALA A 76 11.133 8.825 -32.934 1.00 3.33 C ATOM 1206 O ALA A 76 12.210 8.408 -33.360 1.00 2.21 O ATOM 1207 CB ALA A 76 10.449 11.179 -32.436 1.00 45.23 C ATOM 0 H ALA A 76 13.085 10.512 -32.065 1.00 0.25 H new ATOM 0 HA ALA A 76 10.475 9.557 -31.043 1.00 34.43 H new ATOM 0 HB1 ALA A 76 9.454 10.946 -32.816 1.00 45.23 H new ATOM 0 HB2 ALA A 76 10.370 11.930 -31.650 1.00 45.23 H new ATOM 0 HB3 ALA A 76 11.066 11.566 -33.247 1.00 45.23 H new ATOM 1213 N SER A 77 9.960 8.365 -33.357 1.00 43.52 N ATOM 1214 CA SER A 77 9.870 7.318 -34.367 1.00 74.25 C ATOM 1215 C SER A 77 8.618 7.494 -35.221 1.00 73.45 C ATOM 1216 O SER A 77 8.660 7.348 -36.443 1.00 72.51 O ATOM 1217 CB SER A 77 9.859 5.939 -33.704 1.00 14.53 C ATOM 1218 OG SER A 77 9.567 4.922 -34.646 1.00 11.01 O ATOM 0 H SER A 77 9.059 8.701 -33.016 1.00 43.52 H new ATOM 0 HA SER A 77 10.744 7.395 -35.013 1.00 74.25 H new ATOM 0 HB2 SER A 77 10.828 5.746 -33.244 1.00 14.53 H new ATOM 0 HB3 SER A 77 9.118 5.922 -32.905 1.00 14.53 H new ATOM 0 HG SER A 77 9.568 4.051 -34.197 1.00 11.01 H new ATOM 1224 N VAL A 78 7.503 7.808 -34.569 1.00 2.41 N ATOM 1225 CA VAL A 78 6.238 8.006 -35.267 1.00 23.52 C ATOM 1226 C VAL A 78 5.677 9.398 -35.004 1.00 41.51 C ATOM 1227 O VAL A 78 6.283 10.403 -35.375 1.00 42.44 O ATOM 1228 CB VAL A 78 5.194 6.955 -34.844 1.00 2.22 C ATOM 1229 CG1 VAL A 78 5.545 5.592 -35.419 1.00 60.52 C ATOM 1230 CG2 VAL A 78 5.087 6.892 -33.328 1.00 20.33 C ATOM 0 H VAL A 78 7.450 7.931 -33.558 1.00 2.41 H new ATOM 0 HA VAL A 78 6.443 7.896 -36.332 1.00 23.52 H new ATOM 0 HB VAL A 78 4.223 7.251 -35.242 1.00 2.22 H new ATOM 0 HG11 VAL A 78 4.796 4.863 -35.109 1.00 60.52 H new ATOM 0 HG12 VAL A 78 5.566 5.651 -36.507 1.00 60.52 H new ATOM 0 HG13 VAL A 78 6.524 5.284 -35.053 1.00 60.52 H new ATOM 0 HG21 VAL A 78 4.345 6.145 -33.046 1.00 20.33 H new ATOM 0 HG22 VAL A 78 6.054 6.620 -32.906 1.00 20.33 H new ATOM 0 HG23 VAL A 78 4.785 7.866 -32.944 1.00 20.33 H new TER 1240 VAL A 78