USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 610 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 Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN :FLIP amide:sc=-0.00871 F(o=-0.58,f=-0.0087) USER MOD Single : A 30 THR OG1 : rot 108:sc= 0.384 USER MOD Single : A 33 GLN : amide:sc= -0.113 K(o=-0.11,f=-2.8!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 41 LYS NZ :NH3+ -133:sc= 0.459 (180deg=-0.0719) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 170:sc=-0.00143 (180deg=-0.119) USER MOD Single : A 49 GLN : amide:sc= 0.3 X(o=0.3,f=0) USER MOD Single : A 51 HIS : +bothHN:sc= -0.165 K(o=-0.16,f=-4.9!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 0.266 K(o=0.27,f=-0.87) USER MOD Single : A 61 LYS NZ :NH3+ 173:sc= 0.0799 (180deg=0.0713) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0522) USER MOD Single : A 68 ASN : amide:sc= -0.274 K(o=-0.27,f=-2.5!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.719 X(o=-0.72,f=-0.62) USER MOD Single : A 75 LYS NZ :NH3+ 174:sc= 0.969 (180deg=0.872) USER MOD Single : A 77 HIS : no HD1:sc= 0.846 K(o=0.85,f=-2.6!) USER MOD Single : A 80 THR OG1 : rot 73:sc= 1.05 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0.632 K(o=0.63,f=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.0391 X(o=-0.039,f=-0.0096) USER MOD Single : A 88 THR OG1 : rot -70:sc= 0.514 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -169:sc= -0.0211 (180deg=-0.196) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 20 -9.360 -4.048 19.274 1.00 0.00 N ATOM 2 CA MET A 20 -10.176 -2.817 19.427 1.00 0.00 C ATOM 3 C MET A 20 -10.383 -2.114 18.067 1.00 0.00 C ATOM 4 O MET A 20 -11.212 -1.201 17.958 1.00 0.00 O ATOM 5 CB MET A 20 -9.527 -1.844 20.456 1.00 0.00 C ATOM 6 CG MET A 20 -8.164 -1.275 20.040 1.00 0.00 C ATOM 7 SD MET A 20 -7.518 -0.087 21.241 1.00 0.00 S ATOM 8 CE MET A 20 -6.033 0.497 20.423 1.00 0.00 C ATOM 0 HA MET A 20 -11.154 -3.112 19.807 1.00 0.00 H new ATOM 0 HB2 MET A 20 -10.212 -1.014 20.631 1.00 0.00 H new ATOM 0 HB3 MET A 20 -9.411 -2.367 21.405 1.00 0.00 H new ATOM 0 HG2 MET A 20 -7.453 -2.092 19.923 1.00 0.00 H new ATOM 0 HG3 MET A 20 -8.257 -0.791 19.068 1.00 0.00 H new ATOM 0 HE1 MET A 20 -5.536 1.235 21.053 1.00 0.00 H new ATOM 0 HE2 MET A 20 -5.360 -0.342 20.248 1.00 0.00 H new ATOM 0 HE3 MET A 20 -6.299 0.954 19.470 1.00 0.00 H new ATOM 18 N ALA A 21 -9.626 -2.549 17.037 1.00 0.00 N ATOM 19 CA ALA A 21 -9.668 -1.965 15.681 1.00 0.00 C ATOM 20 C ALA A 21 -9.133 -2.983 14.656 1.00 0.00 C ATOM 21 O ALA A 21 -8.317 -3.848 15.000 1.00 0.00 O ATOM 22 CB ALA A 21 -8.858 -0.650 15.630 1.00 0.00 C ATOM 0 H ALA A 21 -8.964 -3.320 17.125 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.702 -1.729 15.429 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.901 -0.235 14.623 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.281 0.065 16.336 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.820 -0.851 15.895 1.00 0.00 H new ATOM 28 N ALA A 22 -9.616 -2.893 13.408 1.00 0.00 N ATOM 29 CA ALA A 22 -9.123 -3.717 12.297 1.00 0.00 C ATOM 30 C ALA A 22 -8.147 -2.897 11.445 1.00 0.00 C ATOM 31 O ALA A 22 -8.399 -1.711 11.181 1.00 0.00 O ATOM 32 CB ALA A 22 -10.293 -4.238 11.448 1.00 0.00 C ATOM 0 H ALA A 22 -10.359 -2.247 13.142 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.596 -4.582 12.699 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.907 -4.846 10.630 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.953 -4.843 12.070 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.851 -3.395 11.041 1.00 0.00 H new ATOM 38 N ALA A 23 -7.036 -3.529 11.031 1.00 0.00 N ATOM 39 CA ALA A 23 -5.997 -2.888 10.206 1.00 0.00 C ATOM 40 C ALA A 23 -6.516 -2.688 8.773 1.00 0.00 C ATOM 41 O ALA A 23 -6.375 -3.574 7.919 1.00 0.00 O ATOM 42 CB ALA A 23 -4.706 -3.725 10.222 1.00 0.00 C ATOM 0 H ALA A 23 -6.832 -4.502 11.260 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.762 -1.909 10.623 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.949 -3.238 9.608 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.342 -3.813 11.246 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.912 -4.719 9.824 1.00 0.00 H new ATOM 48 N VAL A 24 -7.172 -1.539 8.538 1.00 0.00 N ATOM 49 CA VAL A 24 -7.769 -1.187 7.234 1.00 0.00 C ATOM 50 C VAL A 24 -7.092 0.086 6.671 1.00 0.00 C ATOM 51 O VAL A 24 -7.582 1.206 6.870 1.00 0.00 O ATOM 52 CB VAL A 24 -9.346 -1.023 7.331 1.00 0.00 C ATOM 53 CG1 VAL A 24 -10.028 -2.405 7.457 1.00 0.00 C ATOM 54 CG2 VAL A 24 -9.775 -0.116 8.519 1.00 0.00 C ATOM 0 H VAL A 24 -7.305 -0.822 9.251 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.588 -2.008 6.540 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.670 -0.537 6.410 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -11.108 -2.273 7.522 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.789 -3.010 6.583 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.669 -2.907 8.355 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.862 -0.036 8.542 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.424 -0.551 9.454 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -9.341 0.876 8.395 1.00 0.00 H new ATOM 64 N PRO A 25 -5.897 -0.055 6.015 1.00 0.00 N ATOM 65 CA PRO A 25 -5.182 1.091 5.438 1.00 0.00 C ATOM 66 C PRO A 25 -5.895 1.611 4.186 1.00 0.00 C ATOM 67 O PRO A 25 -6.240 0.834 3.279 1.00 0.00 O ATOM 68 CB PRO A 25 -3.776 0.535 5.091 1.00 0.00 C ATOM 69 CG PRO A 25 -3.986 -0.934 4.920 1.00 0.00 C ATOM 70 CD PRO A 25 -5.158 -1.322 5.800 1.00 0.00 C ATOM 0 HA PRO A 25 -5.133 1.937 6.124 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.384 0.988 4.181 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -3.060 0.744 5.886 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.191 -1.175 3.877 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.091 -1.487 5.205 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.786 -2.071 5.317 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.821 -1.750 6.744 1.00 0.00 H new ATOM 78 N GLN A 26 -6.140 2.917 4.166 1.00 0.00 N ATOM 79 CA GLN A 26 -6.560 3.628 2.960 1.00 0.00 C ATOM 80 C GLN A 26 -5.354 3.795 2.028 1.00 0.00 C ATOM 81 O GLN A 26 -4.229 3.386 2.365 1.00 0.00 O ATOM 82 CB GLN A 26 -7.145 5.009 3.334 1.00 0.00 C ATOM 83 CG GLN A 26 -8.370 4.953 4.267 1.00 0.00 C ATOM 84 CD GLN A 26 -8.963 6.334 4.545 1.00 0.00 C ATOM 85 OE1 GLN A 26 -9.931 6.746 3.744 1.00 0.00 O flip ATOM 86 NE2 GLN A 26 -8.554 7.018 5.478 1.00 0.00 N flip ATOM 0 H GLN A 26 -6.053 3.515 4.987 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.333 3.054 2.449 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.366 5.602 3.813 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.425 5.531 2.419 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.134 4.317 3.819 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.082 4.489 5.210 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.805 6.669 6.076 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.963 7.936 5.655 1.00 0.00 H new ATOM 95 N ARG A 27 -5.592 4.396 0.860 1.00 0.00 N ATOM 96 CA ARG A 27 -4.521 4.713 -0.091 1.00 0.00 C ATOM 97 C ARG A 27 -3.449 5.621 0.553 1.00 0.00 C ATOM 98 O ARG A 27 -3.768 6.575 1.275 1.00 0.00 O ATOM 99 CB ARG A 27 -5.070 5.369 -1.383 1.00 0.00 C ATOM 100 CG ARG A 27 -5.603 6.820 -1.262 1.00 0.00 C ATOM 101 CD ARG A 27 -6.947 6.901 -0.534 1.00 0.00 C ATOM 102 NE ARG A 27 -7.379 8.284 -0.279 1.00 0.00 N ATOM 103 CZ ARG A 27 -8.393 8.625 0.527 1.00 0.00 C ATOM 104 NH1 ARG A 27 -9.148 7.696 1.098 1.00 0.00 N ATOM 105 NH2 ARG A 27 -8.670 9.898 0.748 1.00 0.00 N ATOM 0 H ARG A 27 -6.522 4.675 0.548 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.056 3.767 -0.366 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.277 5.360 -2.131 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.876 4.743 -1.765 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.870 7.428 -0.731 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.709 7.247 -2.259 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.707 6.392 -1.127 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.873 6.368 0.414 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.872 9.034 -0.748 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.959 6.709 0.925 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.917 7.969 1.710 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.111 10.626 0.304 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.443 10.152 1.363 1.00 0.00 H new ATOM 119 N ALA A 28 -2.186 5.279 0.308 1.00 0.00 N ATOM 120 CA ALA A 28 -1.043 6.101 0.716 1.00 0.00 C ATOM 121 C ALA A 28 -0.887 7.257 -0.282 1.00 0.00 C ATOM 122 O ALA A 28 -0.501 8.368 0.083 1.00 0.00 O ATOM 123 CB ALA A 28 0.236 5.247 0.786 1.00 0.00 C ATOM 0 H ALA A 28 -1.923 4.423 -0.180 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.215 6.510 1.712 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.075 5.873 1.090 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.099 4.445 1.512 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.441 4.817 -0.195 1.00 0.00 H new ATOM 129 N TRP A 29 -1.202 6.957 -1.556 1.00 0.00 N ATOM 130 CA TRP A 29 -1.154 7.912 -2.680 1.00 0.00 C ATOM 131 C TRP A 29 -2.447 7.761 -3.499 1.00 0.00 C ATOM 132 O TRP A 29 -3.010 6.663 -3.561 1.00 0.00 O ATOM 133 CB TRP A 29 0.088 7.627 -3.574 1.00 0.00 C ATOM 134 CG TRP A 29 1.373 7.449 -2.797 1.00 0.00 C ATOM 135 CD1 TRP A 29 2.122 8.423 -2.196 1.00 0.00 C ATOM 136 CD2 TRP A 29 2.043 6.208 -2.523 1.00 0.00 C ATOM 137 NE1 TRP A 29 3.204 7.863 -1.570 1.00 0.00 N ATOM 138 CE2 TRP A 29 3.184 6.510 -1.765 1.00 0.00 C ATOM 139 CE3 TRP A 29 1.787 4.875 -2.859 1.00 0.00 C ATOM 140 CZ2 TRP A 29 4.066 5.529 -1.327 1.00 0.00 C ATOM 141 CZ3 TRP A 29 2.663 3.901 -2.427 1.00 0.00 C ATOM 142 CH2 TRP A 29 3.789 4.232 -1.668 1.00 0.00 C ATOM 0 H TRP A 29 -1.503 6.025 -1.839 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.071 8.931 -2.301 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -0.098 6.728 -4.161 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.212 8.449 -4.280 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.894 9.478 -2.213 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.912 8.374 -1.042 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.919 4.613 -3.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.937 5.780 -0.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.476 2.868 -2.679 1.00 0.00 H new ATOM 0 HH2 TRP A 29 4.456 3.447 -1.343 1.00 0.00 H new ATOM 153 N THR A 30 -2.912 8.848 -4.133 1.00 0.00 N ATOM 154 CA THR A 30 -4.160 8.841 -4.924 1.00 0.00 C ATOM 155 C THR A 30 -3.872 8.514 -6.405 1.00 0.00 C ATOM 156 O THR A 30 -2.716 8.370 -6.779 1.00 0.00 O ATOM 157 CB THR A 30 -4.886 10.205 -4.783 1.00 0.00 C ATOM 158 OG1 THR A 30 -3.955 11.269 -5.012 1.00 0.00 O ATOM 159 CG2 THR A 30 -5.529 10.373 -3.396 1.00 0.00 C ATOM 0 H THR A 30 -2.440 9.752 -4.115 1.00 0.00 H new ATOM 0 HA THR A 30 -4.815 8.060 -4.537 1.00 0.00 H new ATOM 0 HB THR A 30 -5.684 10.236 -5.525 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.144 11.688 -5.878 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.026 11.341 -3.340 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.259 9.580 -3.235 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.757 10.317 -2.628 1.00 0.00 H new ATOM 167 N VAL A 31 -4.933 8.434 -7.245 1.00 0.00 N ATOM 168 CA VAL A 31 -4.851 7.919 -8.642 1.00 0.00 C ATOM 169 C VAL A 31 -3.782 8.642 -9.505 1.00 0.00 C ATOM 170 O VAL A 31 -2.986 7.989 -10.202 1.00 0.00 O ATOM 171 CB VAL A 31 -6.266 7.962 -9.343 1.00 0.00 C ATOM 172 CG1 VAL A 31 -6.849 9.395 -9.382 1.00 0.00 C ATOM 173 CG2 VAL A 31 -6.247 7.324 -10.763 1.00 0.00 C ATOM 0 H VAL A 31 -5.873 8.724 -6.976 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.526 6.881 -8.564 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.928 7.353 -8.728 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.822 9.379 -9.872 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.961 9.770 -8.365 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.174 10.047 -9.937 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.244 7.380 -11.200 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.543 7.865 -11.395 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.941 6.280 -10.689 1.00 0.00 H new ATOM 183 N GLU A 32 -3.757 9.988 -9.433 1.00 0.00 N ATOM 184 CA GLU A 32 -2.792 10.818 -10.180 1.00 0.00 C ATOM 185 C GLU A 32 -1.371 10.686 -9.603 1.00 0.00 C ATOM 186 O GLU A 32 -0.397 10.792 -10.343 1.00 0.00 O ATOM 187 CB GLU A 32 -3.219 12.318 -10.231 1.00 0.00 C ATOM 188 CG GLU A 32 -3.424 13.016 -8.859 1.00 0.00 C ATOM 189 CD GLU A 32 -4.862 12.905 -8.318 1.00 0.00 C ATOM 190 OE1 GLU A 32 -5.190 11.908 -7.642 1.00 0.00 O ATOM 191 OE2 GLU A 32 -5.677 13.808 -8.589 1.00 0.00 O ATOM 0 H GLU A 32 -4.403 10.528 -8.857 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.787 10.441 -11.203 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.463 12.871 -10.788 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.148 12.391 -10.796 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.737 12.580 -8.133 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.161 14.070 -8.954 1.00 0.00 H new ATOM 198 N GLN A 33 -1.270 10.457 -8.282 1.00 0.00 N ATOM 199 CA GLN A 33 0.017 10.216 -7.601 1.00 0.00 C ATOM 200 C GLN A 33 0.579 8.830 -7.977 1.00 0.00 C ATOM 201 O GLN A 33 1.792 8.659 -8.104 1.00 0.00 O ATOM 202 CB GLN A 33 -0.175 10.335 -6.066 1.00 0.00 C ATOM 203 CG GLN A 33 -0.631 11.731 -5.576 1.00 0.00 C ATOM 204 CD GLN A 33 0.474 12.805 -5.599 1.00 0.00 C ATOM 205 OE1 GLN A 33 1.436 12.733 -6.363 1.00 0.00 O ATOM 206 NE2 GLN A 33 0.314 13.836 -4.792 1.00 0.00 N ATOM 0 H GLN A 33 -2.075 10.434 -7.657 1.00 0.00 H new ATOM 0 HA GLN A 33 0.737 10.967 -7.925 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.910 9.596 -5.747 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.765 10.082 -5.576 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.461 12.068 -6.197 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.011 11.639 -4.558 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.491 13.874 -4.167 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.996 14.595 -4.793 1.00 0.00 H new ATOM 215 N LEU A 34 -0.326 7.869 -8.204 1.00 0.00 N ATOM 216 CA LEU A 34 0.023 6.466 -8.496 1.00 0.00 C ATOM 217 C LEU A 34 0.398 6.267 -9.967 1.00 0.00 C ATOM 218 O LEU A 34 1.093 5.315 -10.296 1.00 0.00 O ATOM 219 CB LEU A 34 -1.158 5.549 -8.099 1.00 0.00 C ATOM 220 CG LEU A 34 -1.417 5.442 -6.565 1.00 0.00 C ATOM 221 CD1 LEU A 34 -2.780 4.820 -6.276 1.00 0.00 C ATOM 222 CD2 LEU A 34 -0.296 4.654 -5.859 1.00 0.00 C ATOM 0 H LEU A 34 -1.331 8.042 -8.191 1.00 0.00 H new ATOM 0 HA LEU A 34 0.901 6.200 -7.907 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.063 5.917 -8.581 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.972 4.550 -8.492 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.417 6.456 -6.164 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.931 4.759 -5.198 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.563 5.437 -6.718 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.822 3.819 -6.705 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.507 4.598 -4.791 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.244 3.647 -6.272 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.657 5.159 -6.014 1.00 0.00 H new ATOM 234 N ARG A 35 -0.143 7.115 -10.859 1.00 0.00 N ATOM 235 CA ARG A 35 0.312 7.166 -12.265 1.00 0.00 C ATOM 236 C ARG A 35 1.581 8.045 -12.402 1.00 0.00 C ATOM 237 O ARG A 35 2.368 7.837 -13.321 1.00 0.00 O ATOM 238 CB ARG A 35 -0.821 7.647 -13.217 1.00 0.00 C ATOM 239 CG ARG A 35 -1.243 9.116 -13.036 1.00 0.00 C ATOM 240 CD ARG A 35 -2.501 9.498 -13.839 1.00 0.00 C ATOM 241 NE ARG A 35 -2.313 9.384 -15.296 1.00 0.00 N ATOM 242 CZ ARG A 35 -2.662 10.321 -16.203 1.00 0.00 C ATOM 243 NH1 ARG A 35 -3.124 11.504 -15.813 1.00 0.00 N ATOM 244 NH2 ARG A 35 -2.503 10.072 -17.491 1.00 0.00 N ATOM 0 H ARG A 35 -0.891 7.772 -10.636 1.00 0.00 H new ATOM 0 HA ARG A 35 0.573 6.152 -12.567 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.495 7.503 -14.247 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.695 7.013 -13.067 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.426 9.305 -11.978 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.419 9.762 -13.338 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.328 8.857 -13.534 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.784 10.522 -13.594 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.884 8.528 -15.648 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.218 11.712 -14.819 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.384 12.204 -16.508 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.119 9.177 -17.794 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.764 10.775 -18.182 1.00 0.00 H new ATOM 258 N SER A 36 1.764 9.004 -11.457 1.00 0.00 N ATOM 259 CA SER A 36 2.836 10.032 -11.510 1.00 0.00 C ATOM 260 C SER A 36 4.240 9.404 -11.528 1.00 0.00 C ATOM 261 O SER A 36 4.594 8.643 -10.624 1.00 0.00 O ATOM 262 CB SER A 36 2.734 10.991 -10.297 1.00 0.00 C ATOM 263 OG SER A 36 3.717 12.013 -10.351 1.00 0.00 O ATOM 0 H SER A 36 1.169 9.086 -10.633 1.00 0.00 H new ATOM 0 HA SER A 36 2.691 10.585 -12.438 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.742 11.442 -10.272 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.850 10.423 -9.374 1.00 0.00 H new ATOM 0 HG SER A 36 3.622 12.600 -9.572 1.00 0.00 H new ATOM 269 N GLU A 37 5.037 9.780 -12.549 1.00 0.00 N ATOM 270 CA GLU A 37 6.433 9.320 -12.737 1.00 0.00 C ATOM 271 C GLU A 37 7.361 9.830 -11.598 1.00 0.00 C ATOM 272 O GLU A 37 8.463 9.305 -11.398 1.00 0.00 O ATOM 273 CB GLU A 37 6.938 9.793 -14.136 1.00 0.00 C ATOM 274 CG GLU A 37 8.362 9.343 -14.537 1.00 0.00 C ATOM 275 CD GLU A 37 8.523 7.812 -14.602 1.00 0.00 C ATOM 276 OE1 GLU A 37 8.188 7.206 -15.648 1.00 0.00 O ATOM 277 OE2 GLU A 37 8.978 7.202 -13.608 1.00 0.00 O ATOM 0 H GLU A 37 4.726 10.422 -13.279 1.00 0.00 H new ATOM 0 HA GLU A 37 6.458 8.231 -12.694 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.240 9.433 -14.892 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.903 10.882 -14.162 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.609 9.769 -15.509 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.078 9.746 -13.821 1.00 0.00 H new ATOM 284 N GLN A 38 6.894 10.854 -10.857 1.00 0.00 N ATOM 285 CA GLN A 38 7.571 11.373 -9.652 1.00 0.00 C ATOM 286 C GLN A 38 7.634 10.284 -8.558 1.00 0.00 C ATOM 287 O GLN A 38 8.643 10.158 -7.864 1.00 0.00 O ATOM 288 CB GLN A 38 6.822 12.633 -9.134 1.00 0.00 C ATOM 289 CG GLN A 38 6.750 13.782 -10.167 1.00 0.00 C ATOM 290 CD GLN A 38 5.829 14.938 -9.755 1.00 0.00 C ATOM 291 OE1 GLN A 38 5.672 15.238 -8.573 1.00 0.00 O ATOM 292 NE2 GLN A 38 5.210 15.592 -10.730 1.00 0.00 N ATOM 0 H GLN A 38 6.030 11.348 -11.080 1.00 0.00 H new ATOM 0 HA GLN A 38 8.593 11.652 -9.908 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.809 12.350 -8.847 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.319 12.996 -8.234 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.754 14.172 -10.331 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.406 13.379 -11.119 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.360 15.320 -11.702 1.00 0.00 H new ATOM 0 HE22 GLN A 38 4.584 16.366 -10.508 1.00 0.00 H new ATOM 301 N LEU A 39 6.549 9.496 -8.437 1.00 0.00 N ATOM 302 CA LEU A 39 6.452 8.369 -7.480 1.00 0.00 C ATOM 303 C LEU A 39 7.042 7.080 -8.115 1.00 0.00 C ATOM 304 O LEU A 39 6.662 6.738 -9.239 1.00 0.00 O ATOM 305 CB LEU A 39 4.963 8.130 -7.089 1.00 0.00 C ATOM 306 CG LEU A 39 4.688 6.957 -6.087 1.00 0.00 C ATOM 307 CD1 LEU A 39 5.251 7.256 -4.678 1.00 0.00 C ATOM 308 CD2 LEU A 39 3.185 6.620 -6.029 1.00 0.00 C ATOM 0 H LEU A 39 5.709 9.621 -9.002 1.00 0.00 H new ATOM 0 HA LEU A 39 7.021 8.617 -6.584 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.571 9.050 -6.655 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.396 7.941 -8.001 1.00 0.00 H new ATOM 0 HG LEU A 39 5.216 6.080 -6.462 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.038 6.417 -4.016 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.329 7.404 -4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.783 8.158 -4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.022 5.803 -5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.628 7.497 -5.701 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.841 6.321 -7.019 1.00 0.00 H new ATOM 320 N PRO A 40 7.997 6.362 -7.427 1.00 0.00 N ATOM 321 CA PRO A 40 8.498 5.043 -7.902 1.00 0.00 C ATOM 322 C PRO A 40 7.429 3.927 -7.776 1.00 0.00 C ATOM 323 O PRO A 40 6.757 3.804 -6.744 1.00 0.00 O ATOM 324 CB PRO A 40 9.744 4.777 -7.010 1.00 0.00 C ATOM 325 CG PRO A 40 9.524 5.597 -5.772 1.00 0.00 C ATOM 326 CD PRO A 40 8.697 6.799 -6.183 1.00 0.00 C ATOM 0 HA PRO A 40 8.743 5.048 -8.964 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.837 3.718 -6.769 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.662 5.070 -7.519 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.007 5.015 -5.010 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.475 5.911 -5.342 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.987 7.077 -5.404 1.00 0.00 H new ATOM 0 HD3 PRO A 40 9.326 7.670 -6.366 1.00 0.00 H new ATOM 334 N LYS A 41 7.282 3.120 -8.845 1.00 0.00 N ATOM 335 CA LYS A 41 6.214 2.101 -8.952 1.00 0.00 C ATOM 336 C LYS A 41 6.494 0.842 -8.123 1.00 0.00 C ATOM 337 O LYS A 41 5.562 0.111 -7.780 1.00 0.00 O ATOM 338 CB LYS A 41 5.963 1.763 -10.435 1.00 0.00 C ATOM 339 CG LYS A 41 7.136 1.189 -11.247 1.00 0.00 C ATOM 340 CD LYS A 41 6.792 1.139 -12.758 1.00 0.00 C ATOM 341 CE LYS A 41 7.904 0.525 -13.610 1.00 0.00 C ATOM 342 NZ LYS A 41 8.097 -0.912 -13.306 1.00 0.00 N ATOM 0 H LYS A 41 7.897 3.154 -9.658 1.00 0.00 H new ATOM 0 HA LYS A 41 5.308 2.531 -8.525 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.142 1.048 -10.481 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.623 2.671 -10.933 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.024 1.801 -11.092 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.374 0.187 -10.891 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.877 0.563 -12.897 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.589 2.150 -13.111 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.661 0.644 -14.666 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.836 1.062 -13.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.111 -1.108 -13.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.592 -1.152 -12.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.723 -1.486 -14.089 1.00 0.00 H new ATOM 356 N LYS A 42 7.765 0.625 -7.768 1.00 0.00 N ATOM 357 CA LYS A 42 8.165 -0.434 -6.818 1.00 0.00 C ATOM 358 C LYS A 42 7.569 -0.166 -5.419 1.00 0.00 C ATOM 359 O LYS A 42 7.286 -1.099 -4.671 1.00 0.00 O ATOM 360 CB LYS A 42 9.711 -0.536 -6.763 1.00 0.00 C ATOM 361 CG LYS A 42 10.425 0.775 -6.386 1.00 0.00 C ATOM 362 CD LYS A 42 11.951 0.614 -6.309 1.00 0.00 C ATOM 363 CE LYS A 42 12.667 1.935 -6.003 1.00 0.00 C ATOM 364 NZ LYS A 42 14.135 1.750 -5.928 1.00 0.00 N ATOM 0 H LYS A 42 8.547 1.173 -8.126 1.00 0.00 H new ATOM 0 HA LYS A 42 7.770 -1.389 -7.164 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.986 -1.305 -6.041 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.075 -0.867 -7.736 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.181 1.542 -7.121 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.051 1.125 -5.424 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.197 -0.116 -5.538 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.319 0.216 -7.254 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.430 2.666 -6.776 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.301 2.339 -5.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.590 2.662 -5.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.361 1.070 -5.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.486 1.388 -6.837 1.00 0.00 H new ATOM 378 N ASP A 43 7.388 1.119 -5.081 1.00 0.00 N ATOM 379 CA ASP A 43 6.782 1.536 -3.798 1.00 0.00 C ATOM 380 C ASP A 43 5.267 1.294 -3.784 1.00 0.00 C ATOM 381 O ASP A 43 4.681 1.122 -2.712 1.00 0.00 O ATOM 382 CB ASP A 43 7.120 3.016 -3.502 1.00 0.00 C ATOM 383 CG ASP A 43 8.604 3.220 -3.139 1.00 0.00 C ATOM 384 OD1 ASP A 43 9.480 2.858 -3.948 1.00 0.00 O ATOM 385 OD2 ASP A 43 8.903 3.714 -2.032 1.00 0.00 O ATOM 0 H ASP A 43 7.654 1.899 -5.683 1.00 0.00 H new ATOM 0 HA ASP A 43 7.209 0.921 -3.005 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.876 3.623 -4.374 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.496 3.371 -2.682 1.00 0.00 H new ATOM 390 N ILE A 44 4.639 1.291 -4.974 1.00 0.00 N ATOM 391 CA ILE A 44 3.205 0.961 -5.117 1.00 0.00 C ATOM 392 C ILE A 44 3.010 -0.557 -4.954 1.00 0.00 C ATOM 393 O ILE A 44 2.080 -0.998 -4.287 1.00 0.00 O ATOM 394 CB ILE A 44 2.629 1.417 -6.504 1.00 0.00 C ATOM 395 CG1 ILE A 44 2.988 2.908 -6.794 1.00 0.00 C ATOM 396 CG2 ILE A 44 1.099 1.188 -6.570 1.00 0.00 C ATOM 397 CD1 ILE A 44 2.527 3.413 -8.153 1.00 0.00 C ATOM 0 H ILE A 44 5.102 1.514 -5.855 1.00 0.00 H new ATOM 0 HA ILE A 44 2.662 1.500 -4.340 1.00 0.00 H new ATOM 0 HB ILE A 44 3.092 0.806 -7.279 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.545 3.533 -6.018 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.069 3.029 -6.723 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.724 1.512 -7.541 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.883 0.128 -6.433 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.611 1.762 -5.783 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.818 4.457 -8.271 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.990 2.816 -8.939 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.443 3.328 -8.224 1.00 0.00 H new ATOM 409 N ILE A 45 3.902 -1.339 -5.600 1.00 0.00 N ATOM 410 CA ILE A 45 3.975 -2.809 -5.424 1.00 0.00 C ATOM 411 C ILE A 45 4.114 -3.136 -3.927 1.00 0.00 C ATOM 412 O ILE A 45 3.387 -3.966 -3.391 1.00 0.00 O ATOM 413 CB ILE A 45 5.222 -3.410 -6.176 1.00 0.00 C ATOM 414 CG1 ILE A 45 5.169 -3.080 -7.693 1.00 0.00 C ATOM 415 CG2 ILE A 45 5.351 -4.940 -5.948 1.00 0.00 C ATOM 416 CD1 ILE A 45 6.437 -3.410 -8.455 1.00 0.00 C ATOM 0 H ILE A 45 4.591 -0.972 -6.257 1.00 0.00 H new ATOM 0 HA ILE A 45 3.064 -3.244 -5.836 1.00 0.00 H new ATOM 0 HB ILE A 45 6.111 -2.941 -5.754 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.339 -3.626 -8.141 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.954 -2.018 -7.813 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.223 -5.315 -6.483 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.465 -5.141 -4.883 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.456 -5.440 -6.318 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.309 -3.147 -9.505 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.270 -2.844 -8.038 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.645 -4.477 -8.371 1.00 0.00 H new ATOM 428 N LYS A 46 5.036 -2.402 -3.280 1.00 0.00 N ATOM 429 CA LYS A 46 5.373 -2.567 -1.861 1.00 0.00 C ATOM 430 C LYS A 46 4.165 -2.235 -0.968 1.00 0.00 C ATOM 431 O LYS A 46 3.911 -2.926 0.019 1.00 0.00 O ATOM 432 CB LYS A 46 6.589 -1.675 -1.515 1.00 0.00 C ATOM 433 CG LYS A 46 7.156 -1.861 -0.093 1.00 0.00 C ATOM 434 CD LYS A 46 8.458 -1.056 0.137 1.00 0.00 C ATOM 435 CE LYS A 46 8.233 0.461 0.070 1.00 0.00 C ATOM 436 NZ LYS A 46 7.308 0.929 1.132 1.00 0.00 N ATOM 0 H LYS A 46 5.575 -1.667 -3.738 1.00 0.00 H new ATOM 0 HA LYS A 46 5.636 -3.608 -1.674 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.383 -1.875 -2.235 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.301 -0.631 -1.640 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.408 -1.551 0.636 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.352 -2.919 0.081 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.874 -1.315 1.111 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.196 -1.344 -0.612 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.189 0.975 0.169 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.828 0.726 -0.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.312 1.969 1.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.345 0.593 0.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.617 0.554 2.052 1.00 0.00 H new ATOM 450 N PHE A 47 3.423 -1.185 -1.361 1.00 0.00 N ATOM 451 CA PHE A 47 2.198 -0.769 -0.657 1.00 0.00 C ATOM 452 C PHE A 47 1.117 -1.861 -0.758 1.00 0.00 C ATOM 453 O PHE A 47 0.627 -2.342 0.253 1.00 0.00 O ATOM 454 CB PHE A 47 1.664 0.575 -1.241 1.00 0.00 C ATOM 455 CG PHE A 47 0.346 1.065 -0.629 1.00 0.00 C ATOM 456 CD1 PHE A 47 0.202 1.157 0.752 1.00 0.00 C ATOM 457 CD2 PHE A 47 -0.754 1.404 -1.425 1.00 0.00 C ATOM 458 CE1 PHE A 47 -0.983 1.576 1.324 1.00 0.00 C ATOM 459 CE2 PHE A 47 -1.945 1.820 -0.850 1.00 0.00 C ATOM 460 CZ PHE A 47 -2.053 1.904 0.529 1.00 0.00 C ATOM 0 H PHE A 47 3.653 -0.606 -2.168 1.00 0.00 H new ATOM 0 HA PHE A 47 2.442 -0.620 0.395 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.423 1.344 -1.097 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.528 0.459 -2.316 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.034 0.895 1.389 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.674 1.341 -2.500 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.068 1.646 2.398 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.787 2.078 -1.475 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.980 2.228 0.979 1.00 0.00 H new ATOM 470 N LEU A 48 0.801 -2.276 -1.986 1.00 0.00 N ATOM 471 CA LEU A 48 -0.309 -3.201 -2.275 1.00 0.00 C ATOM 472 C LEU A 48 -0.023 -4.621 -1.751 1.00 0.00 C ATOM 473 O LEU A 48 -0.952 -5.327 -1.372 1.00 0.00 O ATOM 474 CB LEU A 48 -0.634 -3.193 -3.789 1.00 0.00 C ATOM 475 CG LEU A 48 -1.102 -1.812 -4.366 1.00 0.00 C ATOM 476 CD1 LEU A 48 -1.317 -1.896 -5.892 1.00 0.00 C ATOM 477 CD2 LEU A 48 -2.375 -1.302 -3.649 1.00 0.00 C ATOM 0 H LEU A 48 1.310 -1.980 -2.819 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.192 -2.851 -1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.252 -3.515 -4.336 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.413 -3.931 -3.981 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.309 -1.088 -4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.641 -0.926 -6.268 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.382 -2.179 -6.376 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.080 -2.643 -6.111 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.672 -0.343 -4.073 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.181 -2.023 -3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.169 -1.180 -2.586 1.00 0.00 H new ATOM 489 N GLN A 49 1.263 -5.015 -1.696 1.00 0.00 N ATOM 490 CA GLN A 49 1.663 -6.328 -1.143 1.00 0.00 C ATOM 491 C GLN A 49 1.679 -6.286 0.399 1.00 0.00 C ATOM 492 O GLN A 49 1.517 -7.324 1.048 1.00 0.00 O ATOM 493 CB GLN A 49 3.037 -6.808 -1.704 1.00 0.00 C ATOM 494 CG GLN A 49 4.266 -6.078 -1.125 1.00 0.00 C ATOM 495 CD GLN A 49 5.624 -6.574 -1.638 1.00 0.00 C ATOM 496 OE1 GLN A 49 6.605 -6.550 -0.903 1.00 0.00 O ATOM 497 NE2 GLN A 49 5.703 -6.987 -2.895 1.00 0.00 N ATOM 0 H GLN A 49 2.043 -4.446 -2.026 1.00 0.00 H new ATOM 0 HA GLN A 49 0.918 -7.056 -1.463 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.140 -7.875 -1.507 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.035 -6.682 -2.787 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.177 -5.015 -1.351 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.248 -6.176 -0.040 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.869 -6.996 -3.482 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.598 -7.296 -3.275 1.00 0.00 H new ATOM 506 N GLU A 50 1.889 -5.073 0.966 1.00 0.00 N ATOM 507 CA GLU A 50 1.947 -4.849 2.430 1.00 0.00 C ATOM 508 C GLU A 50 0.615 -5.232 3.108 1.00 0.00 C ATOM 509 O GLU A 50 0.616 -5.820 4.197 1.00 0.00 O ATOM 510 CB GLU A 50 2.276 -3.354 2.720 1.00 0.00 C ATOM 511 CG GLU A 50 2.544 -2.992 4.196 1.00 0.00 C ATOM 512 CD GLU A 50 3.858 -3.574 4.743 1.00 0.00 C ATOM 513 OE1 GLU A 50 4.945 -3.067 4.371 1.00 0.00 O ATOM 514 OE2 GLU A 50 3.821 -4.532 5.543 1.00 0.00 O ATOM 0 H GLU A 50 2.023 -4.222 0.420 1.00 0.00 H new ATOM 0 HA GLU A 50 2.731 -5.485 2.841 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.152 -3.075 2.134 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.446 -2.744 2.362 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.567 -1.907 4.297 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.715 -3.351 4.806 1.00 0.00 H new ATOM 521 N HIS A 51 -0.519 -4.940 2.429 1.00 0.00 N ATOM 522 CA HIS A 51 -1.867 -5.140 3.020 1.00 0.00 C ATOM 523 C HIS A 51 -2.779 -6.039 2.164 1.00 0.00 C ATOM 524 O HIS A 51 -3.607 -6.753 2.720 1.00 0.00 O ATOM 525 CB HIS A 51 -2.547 -3.783 3.319 1.00 0.00 C ATOM 526 CG HIS A 51 -2.841 -2.905 2.129 1.00 0.00 C ATOM 527 ND1 HIS A 51 -1.860 -2.360 1.351 1.00 0.00 N ATOM 528 CD2 HIS A 51 -4.007 -2.445 1.619 1.00 0.00 C ATOM 529 CE1 HIS A 51 -2.404 -1.616 0.411 1.00 0.00 C ATOM 530 NE2 HIS A 51 -3.702 -1.648 0.556 1.00 0.00 N ATOM 0 H HIS A 51 -0.530 -4.568 1.479 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.713 -5.670 3.960 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -3.484 -3.978 3.840 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -1.910 -3.226 4.006 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -0.859 -2.507 1.479 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.998 -2.668 1.987 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -1.868 -1.071 -0.352 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.377 -1.157 -0.030 1.00 0.00 H new ATOM 539 N GLY A 52 -2.631 -6.006 0.825 1.00 0.00 N ATOM 540 CA GLY A 52 -3.427 -6.858 -0.076 1.00 0.00 C ATOM 541 C GLY A 52 -3.208 -8.355 0.145 1.00 0.00 C ATOM 542 O GLY A 52 -2.074 -8.784 0.377 1.00 0.00 O ATOM 0 H GLY A 52 -1.967 -5.398 0.345 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.484 -6.630 0.061 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.179 -6.612 -1.108 1.00 0.00 H new ATOM 546 N SER A 53 -4.307 -9.138 0.077 1.00 0.00 N ATOM 547 CA SER A 53 -4.278 -10.607 0.256 1.00 0.00 C ATOM 548 C SER A 53 -3.382 -11.289 -0.796 1.00 0.00 C ATOM 549 O SER A 53 -3.305 -10.832 -1.934 1.00 0.00 O ATOM 550 CB SER A 53 -5.713 -11.175 0.172 1.00 0.00 C ATOM 551 OG SER A 53 -5.729 -12.587 0.301 1.00 0.00 O ATOM 0 H SER A 53 -5.241 -8.769 -0.104 1.00 0.00 H new ATOM 0 HA SER A 53 -3.858 -10.816 1.240 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.326 -10.731 0.957 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.161 -10.892 -0.781 1.00 0.00 H new ATOM 0 HG SER A 53 -6.652 -12.910 0.245 1.00 0.00 H new ATOM 557 N ASP A 54 -2.755 -12.414 -0.396 1.00 0.00 N ATOM 558 CA ASP A 54 -1.756 -13.140 -1.225 1.00 0.00 C ATOM 559 C ASP A 54 -2.349 -13.654 -2.541 1.00 0.00 C ATOM 560 O ASP A 54 -1.645 -13.729 -3.548 1.00 0.00 O ATOM 561 CB ASP A 54 -1.157 -14.333 -0.443 1.00 0.00 C ATOM 562 CG ASP A 54 -0.385 -13.898 0.805 1.00 0.00 C ATOM 563 OD1 ASP A 54 0.817 -13.580 0.692 1.00 0.00 O ATOM 564 OD2 ASP A 54 -0.976 -13.857 1.903 1.00 0.00 O ATOM 0 H ASP A 54 -2.923 -12.850 0.511 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.974 -12.419 -1.463 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.960 -15.009 -0.150 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.491 -14.894 -1.099 1.00 0.00 H new ATOM 569 N SER A 55 -3.638 -14.020 -2.508 1.00 0.00 N ATOM 570 CA SER A 55 -4.371 -14.491 -3.695 1.00 0.00 C ATOM 571 C SER A 55 -4.545 -13.342 -4.711 1.00 0.00 C ATOM 572 O SER A 55 -4.326 -13.528 -5.906 1.00 0.00 O ATOM 573 CB SER A 55 -5.733 -15.060 -3.258 1.00 0.00 C ATOM 574 OG SER A 55 -5.567 -16.070 -2.267 1.00 0.00 O ATOM 0 H SER A 55 -4.203 -13.998 -1.659 1.00 0.00 H new ATOM 0 HA SER A 55 -3.803 -15.281 -4.186 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.358 -14.258 -2.865 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.253 -15.474 -4.122 1.00 0.00 H new ATOM 0 HG SER A 55 -6.445 -16.416 -2.003 1.00 0.00 H new ATOM 580 N PHE A 56 -4.871 -12.141 -4.190 1.00 0.00 N ATOM 581 CA PHE A 56 -4.956 -10.897 -4.981 1.00 0.00 C ATOM 582 C PHE A 56 -3.584 -10.579 -5.610 1.00 0.00 C ATOM 583 O PHE A 56 -3.495 -10.209 -6.796 1.00 0.00 O ATOM 584 CB PHE A 56 -5.437 -9.731 -4.066 1.00 0.00 C ATOM 585 CG PHE A 56 -5.322 -8.339 -4.681 1.00 0.00 C ATOM 586 CD1 PHE A 56 -6.292 -7.852 -5.554 1.00 0.00 C ATOM 587 CD2 PHE A 56 -4.223 -7.521 -4.394 1.00 0.00 C ATOM 588 CE1 PHE A 56 -6.164 -6.601 -6.117 1.00 0.00 C ATOM 589 CE2 PHE A 56 -4.103 -6.274 -4.959 1.00 0.00 C ATOM 590 CZ PHE A 56 -5.072 -5.817 -5.818 1.00 0.00 C ATOM 0 H PHE A 56 -5.084 -12.007 -3.202 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.677 -11.023 -5.789 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.478 -9.907 -3.795 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.859 -9.752 -3.142 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.152 -8.460 -5.792 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.458 -7.875 -3.719 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.921 -6.235 -6.794 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.249 -5.655 -4.728 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.977 -4.837 -6.262 1.00 0.00 H new ATOM 600 N LEU A 57 -2.531 -10.733 -4.789 1.00 0.00 N ATOM 601 CA LEU A 57 -1.154 -10.428 -5.190 1.00 0.00 C ATOM 602 C LEU A 57 -0.702 -11.367 -6.315 1.00 0.00 C ATOM 603 O LEU A 57 -0.117 -10.923 -7.275 1.00 0.00 O ATOM 604 CB LEU A 57 -0.180 -10.538 -3.991 1.00 0.00 C ATOM 605 CG LEU A 57 -0.486 -9.648 -2.752 1.00 0.00 C ATOM 606 CD1 LEU A 57 0.603 -9.808 -1.673 1.00 0.00 C ATOM 607 CD2 LEU A 57 -0.705 -8.173 -3.149 1.00 0.00 C ATOM 0 H LEU A 57 -2.614 -11.072 -3.831 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.136 -9.400 -5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.159 -11.578 -3.665 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.822 -10.295 -4.344 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.424 -9.993 -2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.364 -9.175 -0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.647 -10.849 -1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.569 -9.513 -2.084 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.916 -7.584 -2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.193 -7.789 -3.633 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.547 -8.103 -3.838 1.00 0.00 H new ATOM 619 N ALA A 58 -0.998 -12.668 -6.176 1.00 0.00 N ATOM 620 CA ALA A 58 -0.585 -13.712 -7.143 1.00 0.00 C ATOM 621 C ALA A 58 -1.194 -13.460 -8.537 1.00 0.00 C ATOM 622 O ALA A 58 -0.500 -13.558 -9.551 1.00 0.00 O ATOM 623 CB ALA A 58 -0.991 -15.101 -6.613 1.00 0.00 C ATOM 0 H ALA A 58 -1.533 -13.033 -5.388 1.00 0.00 H new ATOM 0 HA ALA A 58 0.499 -13.673 -7.250 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.686 -15.866 -7.327 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.503 -15.282 -5.656 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.072 -15.138 -6.481 1.00 0.00 H new ATOM 629 N GLU A 59 -2.498 -13.136 -8.560 1.00 0.00 N ATOM 630 CA GLU A 59 -3.242 -12.810 -9.800 1.00 0.00 C ATOM 631 C GLU A 59 -2.646 -11.579 -10.528 1.00 0.00 C ATOM 632 O GLU A 59 -2.599 -11.544 -11.763 1.00 0.00 O ATOM 633 CB GLU A 59 -4.736 -12.570 -9.462 1.00 0.00 C ATOM 634 CG GLU A 59 -5.448 -13.807 -8.887 1.00 0.00 C ATOM 635 CD GLU A 59 -6.881 -13.514 -8.424 1.00 0.00 C ATOM 636 OE1 GLU A 59 -7.045 -12.932 -7.333 1.00 0.00 O ATOM 637 OE2 GLU A 59 -7.848 -13.849 -9.144 1.00 0.00 O ATOM 0 H GLU A 59 -3.073 -13.091 -7.718 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.152 -13.658 -10.479 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.810 -11.753 -8.744 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.256 -12.249 -10.365 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.470 -14.591 -9.644 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.872 -14.192 -8.046 1.00 0.00 H new ATOM 644 N HIS A 60 -2.174 -10.586 -9.752 1.00 0.00 N ATOM 645 CA HIS A 60 -1.621 -9.321 -10.304 1.00 0.00 C ATOM 646 C HIS A 60 -0.073 -9.271 -10.213 1.00 0.00 C ATOM 647 O HIS A 60 0.537 -8.241 -10.503 1.00 0.00 O ATOM 648 CB HIS A 60 -2.264 -8.118 -9.567 1.00 0.00 C ATOM 649 CG HIS A 60 -3.754 -8.042 -9.745 1.00 0.00 C ATOM 650 ND1 HIS A 60 -4.658 -8.321 -8.745 1.00 0.00 N ATOM 651 CD2 HIS A 60 -4.494 -7.741 -10.835 1.00 0.00 C ATOM 652 CE1 HIS A 60 -5.883 -8.190 -9.220 1.00 0.00 C ATOM 653 NE2 HIS A 60 -5.811 -7.838 -10.482 1.00 0.00 N ATOM 0 H HIS A 60 -2.162 -10.630 -8.733 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.868 -9.271 -11.364 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.035 -8.187 -8.504 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.814 -7.194 -9.931 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -4.420 -8.587 -7.789 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.113 -7.472 -11.809 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.794 -8.347 -8.662 1.00 0.00 H new ATOM 662 N LYS A 61 0.524 -10.408 -9.796 1.00 0.00 N ATOM 663 CA LYS A 61 1.994 -10.624 -9.720 1.00 0.00 C ATOM 664 C LYS A 61 2.706 -9.621 -8.772 1.00 0.00 C ATOM 665 O LYS A 61 3.896 -9.385 -8.920 1.00 0.00 O ATOM 666 CB LYS A 61 2.633 -10.613 -11.151 1.00 0.00 C ATOM 667 CG LYS A 61 1.959 -11.573 -12.158 1.00 0.00 C ATOM 668 CD LYS A 61 1.858 -13.021 -11.631 1.00 0.00 C ATOM 669 CE LYS A 61 1.070 -13.954 -12.564 1.00 0.00 C ATOM 670 NZ LYS A 61 0.756 -15.253 -11.908 1.00 0.00 N ATOM 0 H LYS A 61 -0.011 -11.223 -9.495 1.00 0.00 H new ATOM 0 HA LYS A 61 2.145 -11.611 -9.283 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.588 -9.599 -11.548 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.688 -10.876 -11.067 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.959 -11.205 -12.390 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.524 -11.569 -13.090 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.863 -13.421 -11.493 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.381 -13.011 -10.651 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.144 -13.467 -12.868 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.648 -14.135 -13.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.125 -15.808 -12.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.637 -15.783 -11.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.287 -15.077 -10.997 1.00 0.00 H new ATOM 684 N LEU A 62 1.978 -9.110 -7.761 1.00 0.00 N ATOM 685 CA LEU A 62 2.463 -8.059 -6.834 1.00 0.00 C ATOM 686 C LEU A 62 3.335 -8.627 -5.695 1.00 0.00 C ATOM 687 O LEU A 62 4.102 -7.880 -5.086 1.00 0.00 O ATOM 688 CB LEU A 62 1.262 -7.281 -6.227 1.00 0.00 C ATOM 689 CG LEU A 62 0.282 -6.650 -7.258 1.00 0.00 C ATOM 690 CD1 LEU A 62 -0.874 -5.904 -6.566 1.00 0.00 C ATOM 691 CD2 LEU A 62 1.016 -5.733 -8.262 1.00 0.00 C ATOM 0 H LEU A 62 1.026 -9.416 -7.559 1.00 0.00 H new ATOM 0 HA LEU A 62 3.087 -7.386 -7.422 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.699 -7.959 -5.585 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.651 -6.487 -5.589 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.152 -7.474 -7.824 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.535 -5.478 -7.320 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.435 -6.600 -5.943 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.471 -5.105 -5.944 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.296 -5.313 -8.964 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.511 -4.925 -7.723 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.760 -6.313 -8.808 1.00 0.00 H new ATOM 703 N LEU A 63 3.201 -9.939 -5.393 1.00 0.00 N ATOM 704 CA LEU A 63 3.990 -10.595 -4.320 1.00 0.00 C ATOM 705 C LEU A 63 5.423 -10.905 -4.778 1.00 0.00 C ATOM 706 O LEU A 63 5.741 -10.815 -5.972 1.00 0.00 O ATOM 707 CB LEU A 63 3.262 -11.867 -3.759 1.00 0.00 C ATOM 708 CG LEU A 63 2.594 -12.860 -4.782 1.00 0.00 C ATOM 709 CD1 LEU A 63 3.604 -13.517 -5.741 1.00 0.00 C ATOM 710 CD2 LEU A 63 1.766 -13.932 -4.034 1.00 0.00 C ATOM 0 H LEU A 63 2.556 -10.565 -5.875 1.00 0.00 H new ATOM 0 HA LEU A 63 4.068 -9.886 -3.496 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.986 -12.432 -3.172 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.488 -11.530 -3.070 1.00 0.00 H new ATOM 0 HG LEU A 63 1.928 -12.263 -5.405 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.078 -14.189 -6.419 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.113 -12.745 -6.318 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.337 -14.083 -5.166 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.311 -14.610 -4.756 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.418 -14.496 -3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.984 -13.446 -3.450 1.00 0.00 H new ATOM 722 N GLY A 64 6.262 -11.305 -3.811 1.00 0.00 N ATOM 723 CA GLY A 64 7.644 -11.695 -4.083 1.00 0.00 C ATOM 724 C GLY A 64 8.608 -10.523 -3.976 1.00 0.00 C ATOM 725 O GLY A 64 8.316 -9.527 -3.297 1.00 0.00 O ATOM 0 H GLY A 64 6.000 -11.365 -2.827 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.944 -12.474 -3.382 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.708 -12.124 -5.083 1.00 0.00 H new ATOM 729 N ASN A 65 9.768 -10.658 -4.641 1.00 0.00 N ATOM 730 CA ASN A 65 10.827 -9.638 -4.646 1.00 0.00 C ATOM 731 C ASN A 65 10.371 -8.406 -5.433 1.00 0.00 C ATOM 732 O ASN A 65 10.156 -8.494 -6.638 1.00 0.00 O ATOM 733 CB ASN A 65 12.127 -10.214 -5.248 1.00 0.00 C ATOM 734 CG ASN A 65 12.683 -11.373 -4.433 1.00 0.00 C ATOM 735 OD1 ASN A 65 12.331 -12.526 -4.666 1.00 0.00 O ATOM 736 ND2 ASN A 65 13.520 -11.079 -3.449 1.00 0.00 N ATOM 0 H ASN A 65 9.997 -11.484 -5.194 1.00 0.00 H new ATOM 0 HA ASN A 65 11.028 -9.338 -3.617 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.934 -10.550 -6.267 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.876 -9.425 -5.309 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.893 -11.822 -2.857 1.00 0.00 H new ATOM 0 HD22 ASN A 65 13.792 -10.110 -3.283 1.00 0.00 H new ATOM 743 N ILE A 66 10.252 -7.274 -4.722 1.00 0.00 N ATOM 744 CA ILE A 66 9.703 -6.007 -5.250 1.00 0.00 C ATOM 745 C ILE A 66 10.424 -5.550 -6.528 1.00 0.00 C ATOM 746 O ILE A 66 9.773 -5.226 -7.526 1.00 0.00 O ATOM 747 CB ILE A 66 9.820 -4.873 -4.175 1.00 0.00 C ATOM 748 CG1 ILE A 66 9.107 -5.289 -2.861 1.00 0.00 C ATOM 749 CG2 ILE A 66 9.264 -3.528 -4.698 1.00 0.00 C ATOM 750 CD1 ILE A 66 9.251 -4.285 -1.738 1.00 0.00 C ATOM 0 H ILE A 66 10.539 -7.208 -3.745 1.00 0.00 H new ATOM 0 HA ILE A 66 8.657 -6.194 -5.492 1.00 0.00 H new ATOM 0 HB ILE A 66 10.880 -4.728 -3.965 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.047 -5.439 -3.067 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.507 -6.248 -2.531 1.00 0.00 H new ATOM 0 HG21 ILE A 66 9.363 -2.767 -3.923 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.824 -3.222 -5.581 1.00 0.00 H new ATOM 0 HG23 ILE A 66 8.212 -3.646 -4.958 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.725 -4.649 -0.855 1.00 0.00 H new ATOM 0 HD12 ILE A 66 10.307 -4.152 -1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.825 -3.330 -2.046 1.00 0.00 H new ATOM 762 N LYS A 67 11.768 -5.516 -6.468 1.00 0.00 N ATOM 763 CA LYS A 67 12.616 -5.018 -7.574 1.00 0.00 C ATOM 764 C LYS A 67 12.387 -5.880 -8.832 1.00 0.00 C ATOM 765 O LYS A 67 12.317 -5.361 -9.953 1.00 0.00 O ATOM 766 CB LYS A 67 14.141 -5.010 -7.214 1.00 0.00 C ATOM 767 CG LYS A 67 14.522 -4.604 -5.758 1.00 0.00 C ATOM 768 CD LYS A 67 14.594 -5.823 -4.799 1.00 0.00 C ATOM 769 CE LYS A 67 15.054 -5.462 -3.381 1.00 0.00 C ATOM 770 NZ LYS A 67 16.434 -4.901 -3.352 1.00 0.00 N ATOM 0 H LYS A 67 12.298 -5.831 -5.656 1.00 0.00 H new ATOM 0 HA LYS A 67 12.324 -3.985 -7.761 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.539 -6.007 -7.403 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.647 -4.330 -7.899 1.00 0.00 H new ATOM 0 HG2 LYS A 67 15.486 -4.096 -5.767 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.789 -3.891 -5.380 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.611 -6.291 -4.745 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.277 -6.563 -5.216 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.362 -4.737 -2.952 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.014 -6.352 -2.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.741 -4.785 -2.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.083 -5.549 -3.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.443 -3.977 -3.828 1.00 0.00 H new ATOM 784 N ASN A 68 12.295 -7.206 -8.607 1.00 0.00 N ATOM 785 CA ASN A 68 12.012 -8.197 -9.668 1.00 0.00 C ATOM 786 C ASN A 68 10.631 -7.935 -10.317 1.00 0.00 C ATOM 787 O ASN A 68 10.507 -7.913 -11.540 1.00 0.00 O ATOM 788 CB ASN A 68 12.073 -9.637 -9.089 1.00 0.00 C ATOM 789 CG ASN A 68 11.841 -10.751 -10.128 1.00 0.00 C ATOM 790 OD1 ASN A 68 12.213 -10.630 -11.293 1.00 0.00 O ATOM 791 ND2 ASN A 68 11.216 -11.845 -9.703 1.00 0.00 N ATOM 0 H ASN A 68 12.415 -7.622 -7.683 1.00 0.00 H new ATOM 0 HA ASN A 68 12.774 -8.096 -10.441 1.00 0.00 H new ATOM 0 HB2 ASN A 68 13.047 -9.788 -8.624 1.00 0.00 H new ATOM 0 HB3 ASN A 68 11.326 -9.731 -8.301 1.00 0.00 H new ATOM 0 HD21 ASN A 68 11.034 -12.612 -10.350 1.00 0.00 H new ATOM 0 HD22 ASN A 68 10.919 -11.917 -8.730 1.00 0.00 H new ATOM 798 N VAL A 69 9.602 -7.736 -9.467 1.00 0.00 N ATOM 799 CA VAL A 69 8.219 -7.444 -9.909 1.00 0.00 C ATOM 800 C VAL A 69 8.165 -6.115 -10.694 1.00 0.00 C ATOM 801 O VAL A 69 7.402 -5.974 -11.641 1.00 0.00 O ATOM 802 CB VAL A 69 7.227 -7.375 -8.682 1.00 0.00 C ATOM 803 CG1 VAL A 69 5.793 -7.006 -9.129 1.00 0.00 C ATOM 804 CG2 VAL A 69 7.215 -8.700 -7.886 1.00 0.00 C ATOM 0 H VAL A 69 9.705 -7.773 -8.453 1.00 0.00 H new ATOM 0 HA VAL A 69 7.907 -8.259 -10.562 1.00 0.00 H new ATOM 0 HB VAL A 69 7.593 -6.586 -8.025 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.139 -6.968 -8.258 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.804 -6.032 -9.618 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.425 -7.758 -9.827 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.521 -8.616 -7.049 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.899 -9.514 -8.539 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.216 -8.906 -7.508 1.00 0.00 H new ATOM 814 N ALA A 70 9.039 -5.172 -10.315 1.00 0.00 N ATOM 815 CA ALA A 70 9.113 -3.828 -10.926 1.00 0.00 C ATOM 816 C ALA A 70 9.678 -3.850 -12.374 1.00 0.00 C ATOM 817 O ALA A 70 9.931 -2.790 -12.936 1.00 0.00 O ATOM 818 CB ALA A 70 9.933 -2.901 -10.003 1.00 0.00 C ATOM 0 H ALA A 70 9.721 -5.317 -9.571 1.00 0.00 H new ATOM 0 HA ALA A 70 8.099 -3.440 -11.022 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.993 -1.907 -10.446 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.448 -2.836 -9.029 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.938 -3.305 -9.881 1.00 0.00 H new ATOM 824 N LYS A 71 9.882 -5.041 -12.985 1.00 0.00 N ATOM 825 CA LYS A 71 10.202 -5.137 -14.431 1.00 0.00 C ATOM 826 C LYS A 71 8.922 -5.377 -15.262 1.00 0.00 C ATOM 827 O LYS A 71 8.855 -4.986 -16.427 1.00 0.00 O ATOM 828 CB LYS A 71 11.242 -6.259 -14.710 1.00 0.00 C ATOM 829 CG LYS A 71 10.689 -7.707 -14.698 1.00 0.00 C ATOM 830 CD LYS A 71 11.777 -8.767 -14.975 1.00 0.00 C ATOM 831 CE LYS A 71 12.905 -8.761 -13.927 1.00 0.00 C ATOM 832 NZ LYS A 71 13.913 -9.816 -14.189 1.00 0.00 N ATOM 0 H LYS A 71 9.832 -5.940 -12.506 1.00 0.00 H new ATOM 0 HA LYS A 71 10.642 -4.186 -14.732 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.698 -6.072 -15.682 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.035 -6.187 -13.966 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.231 -7.908 -13.729 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.902 -7.797 -15.447 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.316 -9.755 -14.999 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.205 -8.591 -15.962 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.393 -7.786 -13.925 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.478 -8.906 -12.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.654 -9.777 -13.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.454 -10.749 -14.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.340 -9.664 -15.125 1.00 0.00 H new ATOM 846 N THR A 72 7.899 -6.009 -14.645 1.00 0.00 N ATOM 847 CA THR A 72 6.645 -6.406 -15.328 1.00 0.00 C ATOM 848 C THR A 72 5.461 -5.535 -14.862 1.00 0.00 C ATOM 849 O THR A 72 4.514 -5.295 -15.626 1.00 0.00 O ATOM 850 CB THR A 72 6.335 -7.931 -15.087 1.00 0.00 C ATOM 851 OG1 THR A 72 5.137 -8.309 -15.778 1.00 0.00 O ATOM 852 CG2 THR A 72 6.193 -8.295 -13.589 1.00 0.00 C ATOM 0 H THR A 72 7.919 -6.259 -13.656 1.00 0.00 H new ATOM 0 HA THR A 72 6.783 -6.248 -16.398 1.00 0.00 H new ATOM 0 HB THR A 72 7.191 -8.481 -15.477 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.955 -9.259 -15.622 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.980 -9.360 -13.492 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.122 -8.062 -13.068 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.377 -7.720 -13.151 1.00 0.00 H new ATOM 860 N ALA A 73 5.536 -5.048 -13.613 1.00 0.00 N ATOM 861 CA ALA A 73 4.489 -4.228 -13.001 1.00 0.00 C ATOM 862 C ALA A 73 4.624 -2.779 -13.479 1.00 0.00 C ATOM 863 O ALA A 73 5.337 -1.964 -12.880 1.00 0.00 O ATOM 864 CB ALA A 73 4.533 -4.321 -11.467 1.00 0.00 C ATOM 0 H ALA A 73 6.333 -5.216 -12.999 1.00 0.00 H new ATOM 0 HA ALA A 73 3.517 -4.608 -13.314 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.743 -3.701 -11.042 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.386 -5.357 -11.161 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.501 -3.971 -11.109 1.00 0.00 H new ATOM 870 N ASN A 74 3.999 -2.515 -14.630 1.00 0.00 N ATOM 871 CA ASN A 74 3.906 -1.173 -15.214 1.00 0.00 C ATOM 872 C ASN A 74 2.970 -0.289 -14.377 1.00 0.00 C ATOM 873 O ASN A 74 2.141 -0.796 -13.608 1.00 0.00 O ATOM 874 CB ASN A 74 3.452 -1.257 -16.697 1.00 0.00 C ATOM 875 CG ASN A 74 2.174 -2.077 -16.900 1.00 0.00 C ATOM 876 OD1 ASN A 74 2.222 -3.301 -17.018 1.00 0.00 O ATOM 877 ND2 ASN A 74 1.032 -1.421 -16.956 1.00 0.00 N ATOM 0 H ASN A 74 3.539 -3.234 -15.188 1.00 0.00 H new ATOM 0 HA ASN A 74 4.893 -0.710 -15.200 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.291 -0.248 -17.077 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.254 -1.697 -17.290 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.159 -1.928 -17.100 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.021 -0.406 -16.855 1.00 0.00 H new ATOM 884 N LYS A 75 3.103 1.032 -14.557 1.00 0.00 N ATOM 885 CA LYS A 75 2.506 2.034 -13.661 1.00 0.00 C ATOM 886 C LYS A 75 0.971 1.918 -13.636 1.00 0.00 C ATOM 887 O LYS A 75 0.367 1.853 -12.567 1.00 0.00 O ATOM 888 CB LYS A 75 2.950 3.456 -14.095 1.00 0.00 C ATOM 889 CG LYS A 75 2.891 4.521 -12.986 1.00 0.00 C ATOM 890 CD LYS A 75 3.753 4.122 -11.767 1.00 0.00 C ATOM 891 CE LYS A 75 4.152 5.299 -10.870 1.00 0.00 C ATOM 892 NZ LYS A 75 5.126 6.191 -11.536 1.00 0.00 N ATOM 0 H LYS A 75 3.629 1.438 -15.331 1.00 0.00 H new ATOM 0 HA LYS A 75 2.860 1.848 -12.647 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.971 3.402 -14.473 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.320 3.780 -14.924 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.237 5.477 -13.380 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.857 4.662 -12.671 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.204 3.394 -11.170 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.657 3.627 -12.121 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.263 5.869 -10.600 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.581 4.920 -9.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.294 7.027 -10.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.022 5.682 -11.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.748 6.492 -12.457 1.00 0.00 H new ATOM 906 N ASP A 76 0.367 1.832 -14.835 1.00 0.00 N ATOM 907 CA ASP A 76 -1.109 1.795 -14.994 1.00 0.00 C ATOM 908 C ASP A 76 -1.704 0.473 -14.472 1.00 0.00 C ATOM 909 O ASP A 76 -2.848 0.448 -14.016 1.00 0.00 O ATOM 910 CB ASP A 76 -1.525 2.023 -16.471 1.00 0.00 C ATOM 911 CG ASP A 76 -0.942 0.981 -17.440 1.00 0.00 C ATOM 912 OD1 ASP A 76 -1.576 -0.073 -17.676 1.00 0.00 O ATOM 913 OD2 ASP A 76 0.172 1.201 -17.953 1.00 0.00 O ATOM 0 H ASP A 76 0.877 1.786 -15.717 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.512 2.610 -14.393 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.613 2.004 -16.541 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.203 3.017 -16.782 1.00 0.00 H new ATOM 918 N HIS A 77 -0.913 -0.619 -14.553 1.00 0.00 N ATOM 919 CA HIS A 77 -1.260 -1.935 -13.969 1.00 0.00 C ATOM 920 C HIS A 77 -1.450 -1.806 -12.454 1.00 0.00 C ATOM 921 O HIS A 77 -2.359 -2.392 -11.881 1.00 0.00 O ATOM 922 CB HIS A 77 -0.140 -2.969 -14.290 1.00 0.00 C ATOM 923 CG HIS A 77 -0.231 -4.286 -13.557 1.00 0.00 C ATOM 924 ND1 HIS A 77 -1.115 -5.279 -13.903 1.00 0.00 N ATOM 925 CD2 HIS A 77 0.474 -4.766 -12.496 1.00 0.00 C ATOM 926 CE1 HIS A 77 -0.952 -6.307 -13.099 1.00 0.00 C ATOM 927 NE2 HIS A 77 0.008 -6.025 -12.235 1.00 0.00 N ATOM 0 H HIS A 77 -0.010 -0.613 -15.028 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.195 -2.284 -14.407 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -0.153 -3.169 -15.361 1.00 0.00 H new ATOM 0 HB3 HIS A 77 0.824 -2.514 -14.063 1.00 0.00 H new ATOM 0 HD2 HIS A 77 1.256 -4.249 -11.960 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -1.511 -7.230 -13.138 1.00 0.00 H new ATOM 0 HE2 HIS A 77 0.345 -6.643 -11.497 1.00 0.00 H new ATOM 936 N LEU A 78 -0.558 -1.030 -11.832 1.00 0.00 N ATOM 937 CA LEU A 78 -0.530 -0.832 -10.376 1.00 0.00 C ATOM 938 C LEU A 78 -1.663 0.077 -9.893 1.00 0.00 C ATOM 939 O LEU A 78 -2.123 -0.061 -8.755 1.00 0.00 O ATOM 940 CB LEU A 78 0.840 -0.266 -9.977 1.00 0.00 C ATOM 941 CG LEU A 78 2.027 -1.246 -10.214 1.00 0.00 C ATOM 942 CD1 LEU A 78 3.370 -0.541 -10.068 1.00 0.00 C ATOM 943 CD2 LEU A 78 1.947 -2.448 -9.255 1.00 0.00 C ATOM 0 H LEU A 78 0.172 -0.517 -12.327 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.685 -1.796 -9.892 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.021 0.649 -10.540 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.815 0.008 -8.922 1.00 0.00 H new ATOM 0 HG LEU A 78 1.948 -1.612 -11.238 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.176 -1.254 -10.240 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.438 0.266 -10.797 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.458 -0.130 -9.062 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.787 -3.118 -9.440 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.985 -2.095 -8.225 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.012 -2.984 -9.420 1.00 0.00 H new ATOM 955 N VAL A 79 -2.106 1.003 -10.765 1.00 0.00 N ATOM 956 CA VAL A 79 -3.277 1.853 -10.496 1.00 0.00 C ATOM 957 C VAL A 79 -4.573 1.016 -10.632 1.00 0.00 C ATOM 958 O VAL A 79 -5.508 1.173 -9.845 1.00 0.00 O ATOM 959 CB VAL A 79 -3.335 3.107 -11.453 1.00 0.00 C ATOM 960 CG1 VAL A 79 -4.446 4.085 -11.017 1.00 0.00 C ATOM 961 CG2 VAL A 79 -1.975 3.834 -11.516 1.00 0.00 C ATOM 0 H VAL A 79 -1.665 1.180 -11.668 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.186 2.229 -9.477 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.568 2.741 -12.453 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.464 4.940 -11.693 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.410 3.577 -11.048 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.250 4.430 -10.002 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.052 4.692 -12.184 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.698 4.174 -10.518 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.214 3.150 -11.890 1.00 0.00 H new ATOM 971 N THR A 80 -4.606 0.114 -11.635 1.00 0.00 N ATOM 972 CA THR A 80 -5.738 -0.817 -11.842 1.00 0.00 C ATOM 973 C THR A 80 -5.827 -1.850 -10.693 1.00 0.00 C ATOM 974 O THR A 80 -6.928 -2.203 -10.257 1.00 0.00 O ATOM 975 CB THR A 80 -5.624 -1.548 -13.225 1.00 0.00 C ATOM 976 OG1 THR A 80 -5.455 -0.577 -14.275 1.00 0.00 O ATOM 977 CG2 THR A 80 -6.864 -2.412 -13.546 1.00 0.00 C ATOM 0 H THR A 80 -3.857 0.010 -12.319 1.00 0.00 H new ATOM 0 HA THR A 80 -6.653 -0.225 -11.843 1.00 0.00 H new ATOM 0 HB THR A 80 -4.760 -2.210 -13.162 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.551 -0.202 -14.231 1.00 0.00 H new ATOM 0 HG21 THR A 80 -6.731 -2.894 -14.514 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.987 -3.173 -12.775 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.751 -1.779 -13.575 1.00 0.00 H new ATOM 985 N ALA A 81 -4.666 -2.294 -10.188 1.00 0.00 N ATOM 986 CA ALA A 81 -4.580 -3.205 -9.034 1.00 0.00 C ATOM 987 C ALA A 81 -5.038 -2.482 -7.761 1.00 0.00 C ATOM 988 O ALA A 81 -5.741 -3.055 -6.929 1.00 0.00 O ATOM 989 CB ALA A 81 -3.143 -3.735 -8.868 1.00 0.00 C ATOM 0 H ALA A 81 -3.757 -2.031 -10.569 1.00 0.00 H new ATOM 0 HA ALA A 81 -5.237 -4.057 -9.210 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.100 -4.406 -8.010 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.848 -4.276 -9.767 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.463 -2.898 -8.709 1.00 0.00 H new ATOM 995 N TYR A 82 -4.638 -1.201 -7.657 1.00 0.00 N ATOM 996 CA TYR A 82 -5.053 -0.295 -6.577 1.00 0.00 C ATOM 997 C TYR A 82 -6.591 -0.258 -6.474 1.00 0.00 C ATOM 998 O TYR A 82 -7.156 -0.694 -5.474 1.00 0.00 O ATOM 999 CB TYR A 82 -4.447 1.121 -6.857 1.00 0.00 C ATOM 1000 CG TYR A 82 -5.149 2.293 -6.167 1.00 0.00 C ATOM 1001 CD1 TYR A 82 -5.043 2.464 -4.802 1.00 0.00 C ATOM 1002 CD2 TYR A 82 -5.927 3.218 -6.883 1.00 0.00 C ATOM 1003 CE1 TYR A 82 -5.669 3.502 -4.163 1.00 0.00 C ATOM 1004 CE2 TYR A 82 -6.558 4.269 -6.243 1.00 0.00 C ATOM 1005 CZ TYR A 82 -6.430 4.402 -4.875 1.00 0.00 C ATOM 1006 OH TYR A 82 -7.059 5.443 -4.219 1.00 0.00 O ATOM 0 H TYR A 82 -4.010 -0.763 -8.331 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.681 -0.649 -5.616 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.401 1.116 -6.549 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.461 1.296 -7.933 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.455 1.766 -4.225 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.034 3.106 -7.952 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.565 3.615 -3.094 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.145 4.978 -6.808 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.554 5.986 -4.867 1.00 0.00 H new ATOM 1016 N ASN A 83 -7.256 0.138 -7.577 1.00 0.00 N ATOM 1017 CA ASN A 83 -8.726 0.318 -7.605 1.00 0.00 C ATOM 1018 C ASN A 83 -9.461 -1.014 -7.385 1.00 0.00 C ATOM 1019 O ASN A 83 -10.546 -1.025 -6.809 1.00 0.00 O ATOM 1020 CB ASN A 83 -9.197 0.983 -8.930 1.00 0.00 C ATOM 1021 CG ASN A 83 -8.886 2.482 -9.001 1.00 0.00 C ATOM 1022 OD1 ASN A 83 -9.663 3.306 -8.516 1.00 0.00 O ATOM 1023 ND2 ASN A 83 -7.786 2.857 -9.633 1.00 0.00 N ATOM 0 H ASN A 83 -6.798 0.341 -8.466 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.978 0.987 -6.782 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.719 0.480 -9.771 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -10.272 0.837 -9.040 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.565 3.848 -9.728 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.159 2.155 -10.026 1.00 0.00 H new ATOM 1030 N HIS A 84 -8.848 -2.128 -7.834 1.00 0.00 N ATOM 1031 CA HIS A 84 -9.402 -3.485 -7.667 1.00 0.00 C ATOM 1032 C HIS A 84 -9.443 -3.867 -6.166 1.00 0.00 C ATOM 1033 O HIS A 84 -10.462 -4.368 -5.689 1.00 0.00 O ATOM 1034 CB HIS A 84 -8.556 -4.511 -8.478 1.00 0.00 C ATOM 1035 CG HIS A 84 -9.166 -5.889 -8.621 1.00 0.00 C ATOM 1036 ND1 HIS A 84 -9.514 -6.428 -9.841 1.00 0.00 N ATOM 1037 CD2 HIS A 84 -9.480 -6.840 -7.698 1.00 0.00 C ATOM 1038 CE1 HIS A 84 -9.999 -7.642 -9.667 1.00 0.00 C ATOM 1039 NE2 HIS A 84 -9.991 -7.912 -8.378 1.00 0.00 N ATOM 0 H HIS A 84 -7.953 -2.111 -8.323 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.422 -3.502 -8.050 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.381 -4.105 -9.474 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -7.582 -4.612 -7.999 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -9.350 -6.763 -6.629 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -10.344 -8.302 -10.449 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.314 -8.782 -7.954 1.00 0.00 H new ATOM 1048 N LEU A 85 -8.335 -3.598 -5.442 1.00 0.00 N ATOM 1049 CA LEU A 85 -8.142 -4.038 -4.032 1.00 0.00 C ATOM 1050 C LEU A 85 -9.255 -3.534 -3.107 1.00 0.00 C ATOM 1051 O LEU A 85 -9.923 -4.310 -2.417 1.00 0.00 O ATOM 1052 CB LEU A 85 -6.780 -3.504 -3.492 1.00 0.00 C ATOM 1053 CG LEU A 85 -6.325 -4.012 -2.084 1.00 0.00 C ATOM 1054 CD1 LEU A 85 -6.389 -5.549 -1.977 1.00 0.00 C ATOM 1055 CD2 LEU A 85 -4.905 -3.500 -1.761 1.00 0.00 C ATOM 0 H LEU A 85 -7.545 -3.070 -5.814 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.162 -5.128 -4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.005 -3.764 -4.213 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.832 -2.416 -3.459 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.021 -3.609 -1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.065 -5.858 -0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.413 -5.883 -2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.735 -5.993 -2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.603 -3.862 -0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.206 -3.866 -2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.902 -2.410 -1.763 1.00 0.00 H new ATOM 1067 N PHE A 86 -9.424 -2.217 -3.146 1.00 0.00 N ATOM 1068 CA PHE A 86 -10.338 -1.476 -2.278 1.00 0.00 C ATOM 1069 C PHE A 86 -11.807 -1.674 -2.707 1.00 0.00 C ATOM 1070 O PHE A 86 -12.723 -1.486 -1.903 1.00 0.00 O ATOM 1071 CB PHE A 86 -9.910 0.011 -2.263 1.00 0.00 C ATOM 1072 CG PHE A 86 -8.441 0.217 -1.822 1.00 0.00 C ATOM 1073 CD1 PHE A 86 -8.077 0.232 -0.480 1.00 0.00 C ATOM 1074 CD2 PHE A 86 -7.432 0.382 -2.753 1.00 0.00 C ATOM 1075 CE1 PHE A 86 -6.755 0.414 -0.096 1.00 0.00 C ATOM 1076 CE2 PHE A 86 -6.117 0.552 -2.365 1.00 0.00 C ATOM 1077 CZ PHE A 86 -5.781 0.584 -1.043 1.00 0.00 C ATOM 0 H PHE A 86 -8.917 -1.618 -3.798 1.00 0.00 H new ATOM 0 HA PHE A 86 -10.279 -1.861 -1.260 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.046 0.432 -3.259 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -10.566 0.565 -1.591 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -8.836 0.100 0.277 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.677 0.378 -3.805 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.495 0.421 0.952 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.348 0.661 -3.115 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.755 0.742 -0.746 1.00 0.00 H new ATOM 1087 N GLU A 87 -12.019 -2.063 -3.980 1.00 0.00 N ATOM 1088 CA GLU A 87 -13.365 -2.325 -4.532 1.00 0.00 C ATOM 1089 C GLU A 87 -13.853 -3.748 -4.188 1.00 0.00 C ATOM 1090 O GLU A 87 -15.032 -4.065 -4.376 1.00 0.00 O ATOM 1091 CB GLU A 87 -13.363 -2.107 -6.074 1.00 0.00 C ATOM 1092 CG GLU A 87 -14.753 -1.918 -6.709 1.00 0.00 C ATOM 1093 CD GLU A 87 -15.461 -0.642 -6.222 1.00 0.00 C ATOM 1094 OE1 GLU A 87 -15.100 0.457 -6.694 1.00 0.00 O ATOM 1095 OE2 GLU A 87 -16.371 -0.726 -5.363 1.00 0.00 O ATOM 0 H GLU A 87 -11.266 -2.204 -4.653 1.00 0.00 H new ATOM 0 HA GLU A 87 -14.059 -1.620 -4.073 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.755 -1.231 -6.301 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.879 -2.962 -6.546 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.650 -1.880 -7.793 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -15.374 -2.784 -6.478 1.00 0.00 H new ATOM 1102 N THR A 88 -12.955 -4.598 -3.666 1.00 0.00 N ATOM 1103 CA THR A 88 -13.279 -5.987 -3.259 1.00 0.00 C ATOM 1104 C THR A 88 -12.873 -6.241 -1.789 1.00 0.00 C ATOM 1105 O THR A 88 -13.111 -7.335 -1.258 1.00 0.00 O ATOM 1106 CB THR A 88 -12.578 -7.019 -4.208 1.00 0.00 C ATOM 1107 OG1 THR A 88 -11.178 -6.712 -4.303 1.00 0.00 O ATOM 1108 CG2 THR A 88 -13.190 -7.038 -5.625 1.00 0.00 C ATOM 0 H THR A 88 -11.979 -4.347 -3.511 1.00 0.00 H new ATOM 0 HA THR A 88 -14.358 -6.119 -3.341 1.00 0.00 H new ATOM 0 HB THR A 88 -12.728 -8.007 -3.773 1.00 0.00 H new ATOM 0 HG1 THR A 88 -11.059 -5.879 -4.806 1.00 0.00 H new ATOM 0 HG21 THR A 88 -12.665 -7.771 -6.238 1.00 0.00 H new ATOM 0 HG22 THR A 88 -14.245 -7.306 -5.562 1.00 0.00 H new ATOM 0 HG23 THR A 88 -13.093 -6.051 -6.077 1.00 0.00 H new ATOM 1116 N LYS A 89 -12.249 -5.215 -1.159 1.00 0.00 N ATOM 1117 CA LYS A 89 -11.886 -5.193 0.282 1.00 0.00 C ATOM 1118 C LYS A 89 -10.897 -6.325 0.680 1.00 0.00 C ATOM 1119 O LYS A 89 -10.785 -6.665 1.861 1.00 0.00 O ATOM 1120 CB LYS A 89 -13.161 -5.247 1.173 1.00 0.00 C ATOM 1121 CG LYS A 89 -14.211 -4.153 0.890 1.00 0.00 C ATOM 1122 CD LYS A 89 -13.651 -2.723 1.031 1.00 0.00 C ATOM 1123 CE LYS A 89 -14.729 -1.652 0.788 1.00 0.00 C ATOM 1124 NZ LYS A 89 -14.149 -0.290 0.773 1.00 0.00 N ATOM 0 H LYS A 89 -11.978 -4.362 -1.648 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.367 -4.250 0.453 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.632 -6.221 1.045 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.858 -5.174 2.217 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.602 -4.286 -0.119 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.050 -4.277 1.575 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -13.232 -2.595 2.029 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.835 -2.582 0.322 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.228 -1.846 -0.161 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -15.489 -1.716 1.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.903 0.407 0.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.694 -0.096 1.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.442 -0.222 0.014 1.00 0.00 H new ATOM 1138 N ARG A 90 -10.129 -6.831 -0.313 1.00 0.00 N ATOM 1139 CA ARG A 90 -9.280 -8.049 -0.175 1.00 0.00 C ATOM 1140 C ARG A 90 -8.125 -7.891 0.831 1.00 0.00 C ATOM 1141 O ARG A 90 -7.568 -8.891 1.290 1.00 0.00 O ATOM 1142 CB ARG A 90 -8.719 -8.460 -1.556 1.00 0.00 C ATOM 1143 CG ARG A 90 -9.775 -8.998 -2.534 1.00 0.00 C ATOM 1144 CD ARG A 90 -9.171 -9.337 -3.899 1.00 0.00 C ATOM 1145 NE ARG A 90 -10.130 -10.023 -4.783 1.00 0.00 N ATOM 1146 CZ ARG A 90 -9.846 -11.094 -5.536 1.00 0.00 C ATOM 1147 NH1 ARG A 90 -8.653 -11.673 -5.460 1.00 0.00 N ATOM 1148 NH2 ARG A 90 -10.770 -11.599 -6.337 1.00 0.00 N ATOM 0 H ARG A 90 -10.077 -6.407 -1.239 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.929 -8.830 0.222 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.229 -7.597 -2.007 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.953 -9.222 -1.412 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.240 -9.889 -2.112 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.564 -8.256 -2.660 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.829 -8.420 -4.380 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.294 -9.969 -3.758 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.080 -9.655 -4.825 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.946 -11.303 -4.825 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.444 -12.488 -6.036 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.696 -11.173 -6.380 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.557 -12.414 -6.911 1.00 0.00 H new ATOM 1162 N PHE A 91 -7.768 -6.642 1.157 1.00 0.00 N ATOM 1163 CA PHE A 91 -6.714 -6.347 2.147 1.00 0.00 C ATOM 1164 C PHE A 91 -7.056 -6.937 3.534 1.00 0.00 C ATOM 1165 O PHE A 91 -8.227 -6.986 3.922 1.00 0.00 O ATOM 1166 CB PHE A 91 -6.418 -4.827 2.226 1.00 0.00 C ATOM 1167 CG PHE A 91 -7.635 -3.926 2.362 1.00 0.00 C ATOM 1168 CD1 PHE A 91 -8.284 -3.450 1.226 1.00 0.00 C ATOM 1169 CD2 PHE A 91 -8.138 -3.564 3.609 1.00 0.00 C ATOM 1170 CE1 PHE A 91 -9.390 -2.638 1.333 1.00 0.00 C ATOM 1171 CE2 PHE A 91 -9.242 -2.748 3.712 1.00 0.00 C ATOM 1172 CZ PHE A 91 -9.873 -2.291 2.577 1.00 0.00 C ATOM 0 H PHE A 91 -8.195 -5.811 0.748 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.801 -6.836 1.807 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.759 -4.647 3.075 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.870 -4.535 1.330 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.915 -3.721 0.248 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.657 -3.927 4.505 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -9.880 -2.273 0.442 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -9.614 -2.466 4.686 1.00 0.00 H new ATOM 0 HZ PHE A 91 -10.746 -1.661 2.661 1.00 0.00 H new ATOM 1182 N LYS A 92 -6.006 -7.371 4.249 1.00 0.00 N ATOM 1183 CA LYS A 92 -6.102 -8.202 5.461 1.00 0.00 C ATOM 1184 C LYS A 92 -6.857 -7.464 6.601 1.00 0.00 C ATOM 1185 O LYS A 92 -6.271 -6.564 7.229 1.00 0.00 O ATOM 1186 CB LYS A 92 -4.666 -8.621 5.909 1.00 0.00 C ATOM 1187 CG LYS A 92 -3.808 -9.283 4.800 1.00 0.00 C ATOM 1188 CD LYS A 92 -4.418 -10.596 4.253 1.00 0.00 C ATOM 1189 CE LYS A 92 -4.421 -11.734 5.287 1.00 0.00 C ATOM 1190 NZ LYS A 92 -3.050 -12.070 5.754 1.00 0.00 N ATOM 1191 OXT LYS A 92 -8.028 -7.798 6.867 1.00 0.00 O ATOM 0 H LYS A 92 -5.043 -7.149 3.995 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.681 -9.097 5.232 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.143 -7.738 6.276 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.749 -9.313 6.747 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.684 -8.578 3.978 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.813 -9.490 5.195 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.441 -10.407 3.927 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.856 -10.913 3.374 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.034 -11.445 6.141 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.881 -12.620 4.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.076 -12.954 6.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.423 -12.189 4.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.690 -11.302 6.356 1.00 0.00 H new TER 1205 LYS A 92