USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 541 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 3 ASN : amide:sc= 0.197 K(o=0.2,f=-1.8) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -128:sc= -0.341 (180deg=-0.635) USER MOD Single : A 13 GLN : amide:sc= -0.0962 K(o=-0.096,f=-1.9!) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -64:sc= 0.0638 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.47 K(o=-0.47,f=-2.6!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.0022) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 26:sc= 0.945 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.038 USER MOD Single : A 60 MET CE :methyl 163:sc= -0.184 (180deg=-0.78) USER MOD Single : A 61 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00397) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 9.446 -1.075 -9.773 1.00 15.51 N ATOM 2 CA PRO A 1 10.604 -0.191 -9.934 1.00 62.22 C ATOM 3 C PRO A 1 10.441 1.123 -9.177 1.00 64.44 C ATOM 4 O PRO A 1 11.425 1.781 -8.839 1.00 22.32 O ATOM 5 CB PRO A 1 10.649 0.063 -11.443 1.00 62.10 C ATOM 6 CG PRO A 1 9.246 -0.137 -11.903 1.00 3.22 C ATOM 7 CD PRO A 1 8.668 -1.206 -11.017 1.00 3.53 C ATOM 0 H2 PRO A 1 8.844 -0.712 -9.034 1.00 15.51 H new ATOM 0 H3 PRO A 1 9.763 -1.997 -9.474 1.00 15.51 H new ATOM 0 HA PRO A 1 11.515 -0.637 -9.535 1.00 62.22 H new ATOM 0 HB2 PRO A 1 10.998 1.072 -11.664 1.00 62.10 H new ATOM 0 HB3 PRO A 1 11.331 -0.627 -11.940 1.00 62.10 H new ATOM 0 HG2 PRO A 1 8.674 0.787 -11.823 1.00 3.22 H new ATOM 0 HG3 PRO A 1 9.218 -0.440 -12.950 1.00 3.22 H new ATOM 0 HD2 PRO A 1 7.603 -1.052 -10.843 1.00 3.53 H new ATOM 0 HD3 PRO A 1 8.779 -2.197 -11.458 1.00 3.53 H new ATOM 15 N ARG A 2 9.194 1.498 -8.915 1.00 10.31 N ATOM 16 CA ARG A 2 8.903 2.734 -8.198 1.00 40.24 C ATOM 17 C ARG A 2 8.234 2.441 -6.858 1.00 45.44 C ATOM 18 O ARG A 2 7.416 3.224 -6.378 1.00 74.22 O ATOM 19 CB ARG A 2 8.003 3.638 -9.043 1.00 1.43 C ATOM 20 CG ARG A 2 8.728 4.313 -10.196 1.00 74.11 C ATOM 21 CD ARG A 2 7.751 4.971 -11.159 1.00 4.14 C ATOM 22 NE ARG A 2 7.383 6.317 -10.729 1.00 13.22 N ATOM 23 CZ ARG A 2 6.463 7.057 -11.338 1.00 40.12 C ATOM 24 NH1 ARG A 2 5.822 6.584 -12.398 1.00 32.33 N ATOM 25 NH2 ARG A 2 6.183 8.273 -10.887 1.00 52.35 N ATOM 0 H ARG A 2 8.369 0.964 -9.188 1.00 10.31 H new ATOM 0 HA ARG A 2 9.846 3.246 -8.009 1.00 40.24 H new ATOM 0 HB2 ARG A 2 7.178 3.046 -9.440 1.00 1.43 H new ATOM 0 HB3 ARG A 2 7.566 4.403 -8.402 1.00 1.43 H new ATOM 0 HG2 ARG A 2 9.416 5.062 -9.806 1.00 74.11 H new ATOM 0 HG3 ARG A 2 9.328 3.577 -10.731 1.00 74.11 H new ATOM 0 HD2 ARG A 2 8.197 5.017 -12.153 1.00 4.14 H new ATOM 0 HD3 ARG A 2 6.853 4.358 -11.240 1.00 4.14 H new ATOM 0 HE ARG A 2 7.858 6.711 -9.917 1.00 13.22 H new ATOM 0 HH11 ARG A 2 6.035 5.650 -12.748 1.00 32.33 H new ATOM 0 HH12 ARG A 2 5.116 7.154 -12.864 1.00 32.33 H new ATOM 0 HH21 ARG A 2 6.674 8.640 -10.072 1.00 52.35 H new ATOM 0 HH22 ARG A 2 5.476 8.840 -11.355 1.00 52.35 H new ATOM 39 N ASN A 3 8.590 1.309 -6.261 1.00 34.42 N ATOM 40 CA ASN A 3 8.023 0.912 -4.977 1.00 22.22 C ATOM 41 C ASN A 3 8.944 1.314 -3.829 1.00 31.35 C ATOM 42 O ASN A 3 9.853 0.570 -3.457 1.00 13.54 O ATOM 43 CB ASN A 3 7.782 -0.599 -4.947 1.00 43.12 C ATOM 44 CG ASN A 3 7.154 -1.109 -6.230 1.00 30.45 C ATOM 45 OD1 ASN A 3 7.834 -1.282 -7.241 1.00 60.11 O ATOM 46 ND2 ASN A 3 5.849 -1.353 -6.193 1.00 21.23 N ATOM 0 H ASN A 3 9.268 0.651 -6.645 1.00 34.42 H new ATOM 0 HA ASN A 3 7.070 1.427 -4.854 1.00 22.22 H new ATOM 0 HB2 ASN A 3 8.729 -1.112 -4.780 1.00 43.12 H new ATOM 0 HB3 ASN A 3 7.134 -0.844 -4.106 1.00 43.12 H new ATOM 0 HD21 ASN A 3 5.371 -1.698 -7.025 1.00 21.23 H new ATOM 0 HD22 ASN A 3 5.325 -1.195 -5.332 1.00 21.23 H new ATOM 53 N THR A 4 8.702 2.495 -3.269 1.00 43.42 N ATOM 54 CA THR A 4 9.509 2.997 -2.164 1.00 10.10 C ATOM 55 C THR A 4 9.184 2.263 -0.868 1.00 54.02 C ATOM 56 O THR A 4 10.018 2.176 0.033 1.00 73.30 O ATOM 57 CB THR A 4 9.295 4.508 -1.953 1.00 34.24 C ATOM 58 OG1 THR A 4 7.914 4.774 -1.682 1.00 72.41 O ATOM 59 CG2 THR A 4 9.737 5.294 -3.178 1.00 21.25 C ATOM 0 H THR A 4 7.953 3.122 -3.563 1.00 43.42 H new ATOM 0 HA THR A 4 10.552 2.819 -2.428 1.00 10.10 H new ATOM 0 HB THR A 4 9.899 4.823 -1.102 1.00 34.24 H new ATOM 0 HG1 THR A 4 7.787 5.736 -1.547 1.00 72.41 H new ATOM 0 HG21 THR A 4 9.576 6.358 -3.005 1.00 21.25 H new ATOM 0 HG22 THR A 4 10.796 5.113 -3.364 1.00 21.25 H new ATOM 0 HG23 THR A 4 9.156 4.975 -4.044 1.00 21.25 H new ATOM 67 N ARG A 5 7.967 1.736 -0.782 1.00 14.13 N ATOM 68 CA ARG A 5 7.531 1.010 0.405 1.00 63.50 C ATOM 69 C ARG A 5 8.450 -0.177 0.684 1.00 51.34 C ATOM 70 O ARG A 5 8.651 -0.561 1.835 1.00 14.32 O ATOM 71 CB ARG A 5 6.091 0.523 0.232 1.00 42.43 C ATOM 72 CG ARG A 5 5.076 1.332 1.022 1.00 10.42 C ATOM 73 CD ARG A 5 4.690 0.632 2.315 1.00 24.44 C ATOM 74 NE ARG A 5 4.595 1.564 3.436 1.00 74.34 N ATOM 75 CZ ARG A 5 5.649 2.028 4.098 1.00 75.14 C ATOM 76 NH1 ARG A 5 6.871 1.649 3.753 1.00 25.23 N ATOM 77 NH2 ARG A 5 5.480 2.874 5.106 1.00 23.31 N ATOM 0 H ARG A 5 7.266 1.798 -1.520 1.00 14.13 H new ATOM 0 HA ARG A 5 7.577 1.692 1.254 1.00 63.50 H new ATOM 0 HB2 ARG A 5 5.829 0.560 -0.825 1.00 42.43 H new ATOM 0 HB3 ARG A 5 6.030 -0.521 0.540 1.00 42.43 H new ATOM 0 HG2 ARG A 5 5.489 2.315 1.249 1.00 10.42 H new ATOM 0 HG3 ARG A 5 4.185 1.493 0.414 1.00 10.42 H new ATOM 0 HD2 ARG A 5 3.733 0.127 2.182 1.00 24.44 H new ATOM 0 HD3 ARG A 5 5.427 -0.137 2.545 1.00 24.44 H new ATOM 0 HE ARG A 5 3.668 1.876 3.726 1.00 74.34 H new ATOM 0 HH11 ARG A 5 7.004 1.000 2.978 1.00 25.23 H new ATOM 0 HH12 ARG A 5 7.679 2.007 4.263 1.00 25.23 H new ATOM 0 HH21 ARG A 5 4.541 3.168 5.373 1.00 23.31 H new ATOM 0 HH22 ARG A 5 6.290 3.230 5.614 1.00 23.31 H new ATOM 91 N GLU A 6 9.004 -0.752 -0.379 1.00 72.11 N ATOM 92 CA GLU A 6 9.900 -1.895 -0.248 1.00 34.10 C ATOM 93 C GLU A 6 9.257 -2.997 0.590 1.00 0.42 C ATOM 94 O GLU A 6 9.855 -3.495 1.544 1.00 72.21 O ATOM 95 CB GLU A 6 11.224 -1.464 0.386 1.00 53.41 C ATOM 96 CG GLU A 6 12.135 -0.706 -0.565 1.00 24.30 C ATOM 97 CD GLU A 6 13.528 -0.503 0.000 1.00 71.01 C ATOM 98 OE1 GLU A 6 14.340 0.180 -0.658 1.00 44.21 O ATOM 99 OE2 GLU A 6 13.805 -1.027 1.099 1.00 43.21 O ATOM 0 H GLU A 6 8.848 -0.445 -1.339 1.00 72.11 H new ATOM 0 HA GLU A 6 10.095 -2.288 -1.246 1.00 34.10 H new ATOM 0 HB2 GLU A 6 11.015 -0.837 1.253 1.00 53.41 H new ATOM 0 HB3 GLU A 6 11.748 -2.348 0.750 1.00 53.41 H new ATOM 0 HG2 GLU A 6 12.205 -1.250 -1.507 1.00 24.30 H new ATOM 0 HG3 GLU A 6 11.693 0.265 -0.790 1.00 24.30 H new ATOM 106 N VAL A 7 8.034 -3.371 0.227 1.00 23.23 N ATOM 107 CA VAL A 7 7.310 -4.413 0.944 1.00 34.54 C ATOM 108 C VAL A 7 8.168 -5.662 1.114 1.00 32.11 C ATOM 109 O VAL A 7 8.084 -6.352 2.130 1.00 25.41 O ATOM 110 CB VAL A 7 6.007 -4.794 0.216 1.00 61.21 C ATOM 111 CG1 VAL A 7 5.254 -5.864 0.992 1.00 62.11 C ATOM 112 CG2 VAL A 7 5.136 -3.565 0.005 1.00 43.12 C ATOM 0 H VAL A 7 7.524 -2.968 -0.559 1.00 23.23 H new ATOM 0 HA VAL A 7 7.064 -4.008 1.926 1.00 34.54 H new ATOM 0 HB VAL A 7 6.264 -5.202 -0.762 1.00 61.21 H new ATOM 0 HG11 VAL A 7 4.337 -6.120 0.462 1.00 62.11 H new ATOM 0 HG12 VAL A 7 5.878 -6.752 1.086 1.00 62.11 H new ATOM 0 HG13 VAL A 7 5.007 -5.487 1.985 1.00 62.11 H new ATOM 0 HG21 VAL A 7 4.220 -3.853 -0.511 1.00 43.12 H new ATOM 0 HG22 VAL A 7 4.886 -3.126 0.971 1.00 43.12 H new ATOM 0 HG23 VAL A 7 5.677 -2.835 -0.597 1.00 43.12 H new ATOM 122 N PHE A 8 8.993 -5.947 0.112 1.00 3.43 N ATOM 123 CA PHE A 8 9.868 -7.113 0.150 1.00 74.11 C ATOM 124 C PHE A 8 10.691 -7.134 1.434 1.00 21.43 C ATOM 125 O PHE A 8 11.012 -8.199 1.961 1.00 63.34 O ATOM 126 CB PHE A 8 10.797 -7.120 -1.065 1.00 41.55 C ATOM 127 CG PHE A 8 10.904 -8.462 -1.731 1.00 40.43 C ATOM 128 CD1 PHE A 8 11.147 -9.603 -0.984 1.00 55.02 C ATOM 129 CD2 PHE A 8 10.763 -8.582 -3.104 1.00 54.34 C ATOM 130 CE1 PHE A 8 11.245 -10.840 -1.594 1.00 1.33 C ATOM 131 CE2 PHE A 8 10.860 -9.816 -3.719 1.00 52.43 C ATOM 132 CZ PHE A 8 11.103 -10.946 -2.963 1.00 54.23 C ATOM 0 H PHE A 8 9.074 -5.386 -0.736 1.00 3.43 H new ATOM 0 HA PHE A 8 9.243 -8.006 0.126 1.00 74.11 H new ATOM 0 HB2 PHE A 8 10.438 -6.391 -1.791 1.00 41.55 H new ATOM 0 HB3 PHE A 8 11.791 -6.797 -0.754 1.00 41.55 H new ATOM 0 HD1 PHE A 8 11.261 -9.525 0.087 1.00 55.02 H new ATOM 0 HD2 PHE A 8 10.575 -7.701 -3.700 1.00 54.34 H new ATOM 0 HE1 PHE A 8 11.432 -11.722 -1.000 1.00 1.33 H new ATOM 0 HE2 PHE A 8 10.746 -9.897 -4.790 1.00 52.43 H new ATOM 0 HZ PHE A 8 11.182 -11.911 -3.442 1.00 54.23 H new ATOM 142 N ALA A 9 11.030 -5.950 1.933 1.00 53.24 N ATOM 143 CA ALA A 9 11.814 -5.831 3.155 1.00 22.44 C ATOM 144 C ALA A 9 11.190 -6.638 4.289 1.00 73.44 C ATOM 145 O ALA A 9 11.891 -7.127 5.174 1.00 42.31 O ATOM 146 CB ALA A 9 11.948 -4.370 3.557 1.00 22.01 C ATOM 0 H ALA A 9 10.773 -5.059 1.509 1.00 53.24 H new ATOM 0 HA ALA A 9 12.807 -6.235 2.960 1.00 22.44 H new ATOM 0 HB1 ALA A 9 12.536 -4.297 4.472 1.00 22.01 H new ATOM 0 HB2 ALA A 9 12.446 -3.818 2.760 1.00 22.01 H new ATOM 0 HB3 ALA A 9 10.958 -3.947 3.728 1.00 22.01 H new ATOM 152 N GLN A 10 9.868 -6.773 4.254 1.00 31.22 N ATOM 153 CA GLN A 10 9.150 -7.520 5.280 1.00 31.21 C ATOM 154 C GLN A 10 9.728 -8.922 5.438 1.00 65.41 C ATOM 155 O GLN A 10 10.102 -9.331 6.537 1.00 33.25 O ATOM 156 CB GLN A 10 7.663 -7.605 4.932 1.00 72.41 C ATOM 157 CG GLN A 10 6.937 -6.274 5.034 1.00 13.21 C ATOM 158 CD GLN A 10 5.454 -6.437 5.304 1.00 51.21 C ATOM 159 OE1 GLN A 10 4.923 -5.888 6.270 1.00 52.34 O ATOM 160 NE2 GLN A 10 4.776 -7.194 4.449 1.00 22.44 N ATOM 0 H GLN A 10 9.273 -6.375 3.527 1.00 31.22 H new ATOM 0 HA GLN A 10 9.265 -6.991 6.226 1.00 31.21 H new ATOM 0 HB2 GLN A 10 7.557 -7.990 3.918 1.00 72.41 H new ATOM 0 HB3 GLN A 10 7.183 -8.323 5.597 1.00 72.41 H new ATOM 0 HG2 GLN A 10 7.384 -5.681 5.831 1.00 13.21 H new ATOM 0 HG3 GLN A 10 7.075 -5.717 4.107 1.00 13.21 H new ATOM 0 HE21 GLN A 10 5.256 -7.630 3.662 1.00 22.44 H new ATOM 0 HE22 GLN A 10 3.775 -7.339 4.579 1.00 22.44 H new ATOM 169 N VAL A 11 9.800 -9.656 4.331 1.00 12.25 N ATOM 170 CA VAL A 11 10.334 -11.013 4.347 1.00 54.54 C ATOM 171 C VAL A 11 11.857 -11.004 4.296 1.00 63.11 C ATOM 172 O VAL A 11 12.512 -11.909 4.815 1.00 41.45 O ATOM 173 CB VAL A 11 9.796 -11.840 3.164 1.00 21.43 C ATOM 174 CG1 VAL A 11 10.245 -11.238 1.842 1.00 4.40 C ATOM 175 CG2 VAL A 11 10.247 -13.289 3.280 1.00 51.30 C ATOM 0 H VAL A 11 9.495 -9.333 3.413 1.00 12.25 H new ATOM 0 HA VAL A 11 10.008 -11.472 5.280 1.00 54.54 H new ATOM 0 HB VAL A 11 8.707 -11.818 3.193 1.00 21.43 H new ATOM 0 HG11 VAL A 11 9.855 -11.836 1.019 1.00 4.40 H new ATOM 0 HG12 VAL A 11 9.868 -10.218 1.760 1.00 4.40 H new ATOM 0 HG13 VAL A 11 11.334 -11.227 1.798 1.00 4.40 H new ATOM 0 HG21 VAL A 11 9.858 -13.860 2.437 1.00 51.30 H new ATOM 0 HG22 VAL A 11 11.336 -13.332 3.277 1.00 51.30 H new ATOM 0 HG23 VAL A 11 9.870 -13.714 4.210 1.00 51.30 H new ATOM 185 N LYS A 12 12.417 -9.976 3.668 1.00 41.24 N ATOM 186 CA LYS A 12 13.865 -9.847 3.550 1.00 54.34 C ATOM 187 C LYS A 12 14.510 -9.680 4.922 1.00 72.52 C ATOM 188 O LYS A 12 15.676 -10.024 5.114 1.00 33.04 O ATOM 189 CB LYS A 12 14.220 -8.654 2.659 1.00 0.23 C ATOM 190 CG LYS A 12 15.508 -8.841 1.877 1.00 64.20 C ATOM 191 CD LYS A 12 15.243 -9.412 0.494 1.00 50.31 C ATOM 192 CE LYS A 12 14.830 -10.874 0.564 1.00 44.01 C ATOM 193 NZ LYS A 12 15.874 -11.714 1.214 1.00 71.31 N ATOM 0 H LYS A 12 11.890 -9.219 3.232 1.00 41.24 H new ATOM 0 HA LYS A 12 14.250 -10.760 3.096 1.00 54.34 H new ATOM 0 HB2 LYS A 12 13.403 -8.478 1.960 1.00 0.23 H new ATOM 0 HB3 LYS A 12 14.307 -7.762 3.279 1.00 0.23 H new ATOM 0 HG2 LYS A 12 16.021 -7.884 1.784 1.00 64.20 H new ATOM 0 HG3 LYS A 12 16.174 -9.507 2.425 1.00 64.20 H new ATOM 0 HD2 LYS A 12 14.459 -8.834 0.005 1.00 50.31 H new ATOM 0 HD3 LYS A 12 16.139 -9.315 -0.119 1.00 50.31 H new ATOM 0 HE2 LYS A 12 13.896 -10.961 1.119 1.00 44.01 H new ATOM 0 HE3 LYS A 12 14.639 -11.246 -0.443 1.00 44.01 H new ATOM 0 HZ1 LYS A 12 16.099 -12.524 0.602 1.00 71.31 H new ATOM 0 HZ2 LYS A 12 16.732 -11.146 1.366 1.00 71.31 H new ATOM 0 HZ3 LYS A 12 15.521 -12.060 2.129 1.00 71.31 H new ATOM 207 N GLN A 13 13.743 -9.153 5.871 1.00 23.30 N ATOM 208 CA GLN A 13 14.241 -8.943 7.225 1.00 4.02 C ATOM 209 C GLN A 13 14.792 -10.239 7.810 1.00 21.41 C ATOM 210 O GLN A 13 15.667 -10.219 8.676 1.00 54.43 O ATOM 211 CB GLN A 13 13.128 -8.397 8.122 1.00 64.44 C ATOM 212 CG GLN A 13 13.639 -7.573 9.292 1.00 42.51 C ATOM 213 CD GLN A 13 12.629 -6.548 9.769 1.00 34.20 C ATOM 214 OE1 GLN A 13 11.540 -6.425 9.208 1.00 74.43 O ATOM 215 NE2 GLN A 13 12.985 -5.806 10.811 1.00 55.21 N ATOM 0 H GLN A 13 12.775 -8.864 5.727 1.00 23.30 H new ATOM 0 HA GLN A 13 15.050 -8.214 7.178 1.00 4.02 H new ATOM 0 HB2 GLN A 13 12.457 -7.783 7.521 1.00 64.44 H new ATOM 0 HB3 GLN A 13 12.540 -9.231 8.505 1.00 64.44 H new ATOM 0 HG2 GLN A 13 13.893 -8.239 10.117 1.00 42.51 H new ATOM 0 HG3 GLN A 13 14.557 -7.064 8.999 1.00 42.51 H new ATOM 0 HE21 GLN A 13 13.898 -5.942 11.246 1.00 55.21 H new ATOM 0 HE22 GLN A 13 12.346 -5.100 11.177 1.00 55.21 H new ATOM 224 N MET A 14 14.274 -11.366 7.332 1.00 51.34 N ATOM 225 CA MET A 14 14.715 -12.672 7.807 1.00 10.11 C ATOM 226 C MET A 14 16.233 -12.795 7.729 1.00 44.34 C ATOM 227 O MET A 14 16.877 -12.141 6.908 1.00 50.43 O ATOM 228 CB MET A 14 14.059 -13.785 6.988 1.00 15.11 C ATOM 229 CG MET A 14 12.696 -14.204 7.515 1.00 31.52 C ATOM 230 SD MET A 14 12.797 -15.063 9.098 1.00 45.52 S ATOM 231 CE MET A 14 12.694 -16.769 8.565 1.00 63.43 C ATOM 0 H MET A 14 13.548 -11.401 6.616 1.00 51.34 H new ATOM 0 HA MET A 14 14.413 -12.772 8.850 1.00 10.11 H new ATOM 0 HB2 MET A 14 13.954 -13.451 5.956 1.00 15.11 H new ATOM 0 HB3 MET A 14 14.718 -14.653 6.977 1.00 15.11 H new ATOM 0 HG2 MET A 14 12.066 -13.321 7.625 1.00 31.52 H new ATOM 0 HG3 MET A 14 12.212 -14.852 6.785 1.00 31.52 H new ATOM 0 HE1 MET A 14 12.743 -17.425 9.434 1.00 63.43 H new ATOM 0 HE2 MET A 14 11.752 -16.930 8.041 1.00 63.43 H new ATOM 0 HE3 MET A 14 13.524 -16.992 7.895 1.00 63.43 H new ATOM 241 N TYR A 15 16.799 -13.636 8.587 1.00 44.22 N ATOM 242 CA TYR A 15 18.243 -13.842 8.616 1.00 54.30 C ATOM 243 C TYR A 15 18.599 -15.261 8.186 1.00 21.51 C ATOM 244 O TYR A 15 19.633 -15.801 8.580 1.00 61.52 O ATOM 245 CB TYR A 15 18.790 -13.569 10.018 1.00 34.02 C ATOM 246 CG TYR A 15 18.339 -14.578 11.051 1.00 42.24 C ATOM 247 CD1 TYR A 15 17.064 -14.517 11.600 1.00 62.04 C ATOM 248 CD2 TYR A 15 19.189 -15.591 11.478 1.00 54.22 C ATOM 249 CE1 TYR A 15 16.648 -15.436 12.544 1.00 44.04 C ATOM 250 CE2 TYR A 15 18.781 -16.515 12.420 1.00 11.12 C ATOM 251 CZ TYR A 15 17.510 -16.433 12.950 1.00 22.22 C ATOM 252 OH TYR A 15 17.101 -17.351 13.890 1.00 12.03 O ATOM 0 H TYR A 15 16.281 -14.186 9.272 1.00 44.22 H new ATOM 0 HA TYR A 15 18.699 -13.144 7.914 1.00 54.30 H new ATOM 0 HB2 TYR A 15 19.879 -13.563 9.979 1.00 34.02 H new ATOM 0 HB3 TYR A 15 18.477 -12.574 10.334 1.00 34.02 H new ATOM 0 HD1 TYR A 15 16.387 -13.738 11.283 1.00 62.04 H new ATOM 0 HD2 TYR A 15 20.185 -15.657 11.066 1.00 54.22 H new ATOM 0 HE1 TYR A 15 15.654 -15.374 12.961 1.00 44.04 H new ATOM 0 HE2 TYR A 15 19.453 -17.297 12.740 1.00 11.12 H new ATOM 0 HH TYR A 15 17.827 -17.986 14.064 1.00 12.03 H new ATOM 262 N LYS A 16 17.735 -15.861 7.374 1.00 31.33 N ATOM 263 CA LYS A 16 17.957 -17.218 6.887 1.00 14.43 C ATOM 264 C LYS A 16 19.274 -17.313 6.124 1.00 21.25 C ATOM 265 O LYS A 16 19.308 -17.166 4.902 1.00 23.52 O ATOM 266 CB LYS A 16 16.800 -17.653 5.985 1.00 72.00 C ATOM 267 CG LYS A 16 16.509 -16.679 4.856 1.00 65.41 C ATOM 268 CD LYS A 16 15.087 -16.829 4.342 1.00 22.24 C ATOM 269 CE LYS A 16 14.967 -17.987 3.363 1.00 21.15 C ATOM 270 NZ LYS A 16 13.548 -18.382 3.143 1.00 64.20 N ATOM 0 H LYS A 16 16.874 -15.429 7.039 1.00 31.33 H new ATOM 0 HA LYS A 16 18.008 -17.883 7.749 1.00 14.43 H new ATOM 0 HB2 LYS A 16 17.029 -18.630 5.560 1.00 72.00 H new ATOM 0 HB3 LYS A 16 15.902 -17.772 6.592 1.00 72.00 H new ATOM 0 HG2 LYS A 16 16.665 -15.658 5.206 1.00 65.41 H new ATOM 0 HG3 LYS A 16 17.211 -16.847 4.040 1.00 65.41 H new ATOM 0 HD2 LYS A 16 14.411 -16.989 5.182 1.00 22.24 H new ATOM 0 HD3 LYS A 16 14.776 -15.905 3.854 1.00 22.24 H new ATOM 0 HE2 LYS A 16 15.418 -17.706 2.411 1.00 21.15 H new ATOM 0 HE3 LYS A 16 15.528 -18.842 3.741 1.00 21.15 H new ATOM 0 HZ1 LYS A 16 13.508 -19.174 2.470 1.00 64.20 H new ATOM 0 HZ2 LYS A 16 13.125 -18.674 4.047 1.00 64.20 H new ATOM 0 HZ3 LYS A 16 13.018 -17.574 2.758 1.00 64.20 H new ATOM 284 N THR A 17 20.358 -17.562 6.853 1.00 1.30 N ATOM 285 CA THR A 17 21.678 -17.677 6.245 1.00 35.41 C ATOM 286 C THR A 17 22.458 -18.843 6.842 1.00 75.22 C ATOM 287 O THR A 17 23.653 -18.744 7.119 1.00 30.54 O ATOM 288 CB THR A 17 22.494 -16.383 6.424 1.00 72.42 C ATOM 289 OG1 THR A 17 22.722 -16.136 7.816 1.00 60.43 O ATOM 290 CG2 THR A 17 21.770 -15.197 5.805 1.00 31.11 C ATOM 0 H THR A 17 20.347 -17.688 7.865 1.00 1.30 H new ATOM 0 HA THR A 17 21.522 -17.854 5.181 1.00 35.41 H new ATOM 0 HB THR A 17 23.450 -16.510 5.917 1.00 72.42 H new ATOM 0 HG1 THR A 17 21.865 -15.981 8.265 1.00 60.43 H new ATOM 0 HG21 THR A 17 22.365 -14.295 5.944 1.00 31.11 H new ATOM 0 HG22 THR A 17 21.624 -15.375 4.740 1.00 31.11 H new ATOM 0 HG23 THR A 17 20.801 -15.070 6.287 1.00 31.11 H new ATOM 298 N PRO A 18 21.768 -19.976 7.044 1.00 11.33 N ATOM 299 CA PRO A 18 22.377 -21.183 7.609 1.00 23.42 C ATOM 300 C PRO A 18 23.363 -21.840 6.648 1.00 55.50 C ATOM 301 O PRO A 18 24.484 -22.178 7.027 1.00 45.13 O ATOM 302 CB PRO A 18 21.179 -22.103 7.857 1.00 52.12 C ATOM 303 CG PRO A 18 20.145 -21.648 6.885 1.00 65.33 C ATOM 304 CD PRO A 18 20.340 -20.165 6.737 1.00 43.32 C ATOM 0 HA PRO A 18 22.957 -20.965 8.506 1.00 23.42 H new ATOM 0 HB2 PRO A 18 21.442 -23.148 7.695 1.00 52.12 H new ATOM 0 HB3 PRO A 18 20.822 -22.020 8.883 1.00 52.12 H new ATOM 0 HG2 PRO A 18 20.261 -22.154 5.927 1.00 65.33 H new ATOM 0 HG3 PRO A 18 19.142 -21.876 7.247 1.00 65.33 H new ATOM 0 HD2 PRO A 18 20.097 -19.826 5.730 1.00 43.32 H new ATOM 0 HD3 PRO A 18 19.704 -19.606 7.423 1.00 43.32 H new ATOM 312 N THR A 19 22.937 -22.017 5.401 1.00 11.10 N ATOM 313 CA THR A 19 23.781 -22.633 4.386 1.00 63.25 C ATOM 314 C THR A 19 24.347 -23.962 4.873 1.00 34.21 C ATOM 315 O THR A 19 25.534 -24.244 4.702 1.00 14.24 O ATOM 316 CB THR A 19 24.946 -21.708 3.987 1.00 65.03 C ATOM 317 OG1 THR A 19 24.522 -20.341 4.027 1.00 5.12 O ATOM 318 CG2 THR A 19 25.453 -22.046 2.593 1.00 61.13 C ATOM 0 H THR A 19 22.012 -21.742 5.070 1.00 11.10 H new ATOM 0 HA THR A 19 23.150 -22.808 3.515 1.00 63.25 H new ATOM 0 HB THR A 19 25.759 -21.857 4.698 1.00 65.03 H new ATOM 0 HG1 THR A 19 25.269 -19.759 3.774 1.00 5.12 H new ATOM 0 HG21 THR A 19 26.275 -21.379 2.333 1.00 61.13 H new ATOM 0 HG22 THR A 19 25.802 -23.078 2.573 1.00 61.13 H new ATOM 0 HG23 THR A 19 24.645 -21.923 1.872 1.00 61.13 H new ATOM 326 N LEU A 20 23.491 -24.777 5.480 1.00 14.20 N ATOM 327 CA LEU A 20 23.905 -26.078 5.992 1.00 31.42 C ATOM 328 C LEU A 20 23.603 -27.182 4.983 1.00 2.22 C ATOM 329 O LEU A 20 23.411 -28.340 5.353 1.00 61.54 O ATOM 330 CB LEU A 20 23.199 -26.376 7.316 1.00 2.54 C ATOM 331 CG LEU A 20 23.903 -27.366 8.245 1.00 43.32 C ATOM 332 CD1 LEU A 20 24.836 -26.634 9.197 1.00 2.21 C ATOM 333 CD2 LEU A 20 22.884 -28.187 9.020 1.00 32.23 C ATOM 0 H LEU A 20 22.506 -24.559 5.629 1.00 14.20 H new ATOM 0 HA LEU A 20 24.982 -26.048 6.160 1.00 31.42 H new ATOM 0 HB2 LEU A 20 23.066 -25.437 7.853 1.00 2.54 H new ATOM 0 HB3 LEU A 20 22.203 -26.761 7.095 1.00 2.54 H new ATOM 0 HG LEU A 20 24.499 -28.045 7.636 1.00 43.32 H new ATOM 0 HD11 LEU A 20 25.328 -27.355 9.850 1.00 2.21 H new ATOM 0 HD12 LEU A 20 25.588 -26.091 8.624 1.00 2.21 H new ATOM 0 HD13 LEU A 20 24.262 -25.931 9.800 1.00 2.21 H new ATOM 0 HD21 LEU A 20 23.403 -28.886 9.676 1.00 32.23 H new ATOM 0 HD22 LEU A 20 22.261 -27.523 9.618 1.00 32.23 H new ATOM 0 HD23 LEU A 20 22.257 -28.742 8.322 1.00 32.23 H new ATOM 345 N LYS A 21 23.565 -26.815 3.707 1.00 40.12 N ATOM 346 CA LYS A 21 23.291 -27.773 2.643 1.00 75.14 C ATOM 347 C LYS A 21 24.576 -28.447 2.172 1.00 14.31 C ATOM 348 O LYS A 21 24.619 -29.663 1.989 1.00 21.53 O ATOM 349 CB LYS A 21 22.607 -27.076 1.464 1.00 13.23 C ATOM 350 CG LYS A 21 21.120 -26.847 1.673 1.00 73.13 C ATOM 351 CD LYS A 21 20.403 -26.604 0.355 1.00 31.21 C ATOM 352 CE LYS A 21 18.898 -26.772 0.500 1.00 61.20 C ATOM 353 NZ LYS A 21 18.160 -26.164 -0.641 1.00 53.02 N ATOM 0 H LYS A 21 23.721 -25.860 3.384 1.00 40.12 H new ATOM 0 HA LYS A 21 22.625 -28.538 3.041 1.00 75.14 H new ATOM 0 HB2 LYS A 21 23.093 -26.116 1.288 1.00 13.23 H new ATOM 0 HB3 LYS A 21 22.751 -27.675 0.565 1.00 13.23 H new ATOM 0 HG2 LYS A 21 20.684 -27.713 2.171 1.00 73.13 H new ATOM 0 HG3 LYS A 21 20.972 -25.992 2.332 1.00 73.13 H new ATOM 0 HD2 LYS A 21 20.625 -25.598 -0.001 1.00 31.21 H new ATOM 0 HD3 LYS A 21 20.777 -27.298 -0.397 1.00 31.21 H new ATOM 0 HE2 LYS A 21 18.656 -27.833 0.565 1.00 61.20 H new ATOM 0 HE3 LYS A 21 18.569 -26.312 1.432 1.00 61.20 H new ATOM 0 HZ1 LYS A 21 17.138 -26.299 -0.505 1.00 53.02 H new ATOM 0 HZ2 LYS A 21 18.371 -25.147 -0.688 1.00 53.02 H new ATOM 0 HZ3 LYS A 21 18.455 -26.620 -1.528 1.00 53.02 H new ATOM 367 N TYR A 22 25.620 -27.649 1.979 1.00 11.34 N ATOM 368 CA TYR A 22 26.906 -28.168 1.529 1.00 31.14 C ATOM 369 C TYR A 22 27.421 -29.245 2.479 1.00 20.04 C ATOM 370 O TYR A 22 28.185 -30.125 2.083 1.00 61.30 O ATOM 371 CB TYR A 22 27.928 -27.035 1.423 1.00 60.24 C ATOM 372 CG TYR A 22 27.845 -26.266 0.124 1.00 44.52 C ATOM 373 CD1 TYR A 22 27.327 -24.977 0.089 1.00 11.21 C ATOM 374 CD2 TYR A 22 28.285 -26.827 -1.069 1.00 33.03 C ATOM 375 CE1 TYR A 22 27.249 -24.270 -1.095 1.00 53.13 C ATOM 376 CE2 TYR A 22 28.212 -26.127 -2.257 1.00 73.04 C ATOM 377 CZ TYR A 22 27.693 -24.849 -2.266 1.00 32.14 C ATOM 378 OH TYR A 22 27.617 -24.149 -3.448 1.00 21.11 O ATOM 0 H TYR A 22 25.601 -26.640 2.127 1.00 11.34 H new ATOM 0 HA TYR A 22 26.765 -28.614 0.545 1.00 31.14 H new ATOM 0 HB2 TYR A 22 27.781 -26.345 2.254 1.00 60.24 H new ATOM 0 HB3 TYR A 22 28.931 -27.450 1.527 1.00 60.24 H new ATOM 0 HD1 TYR A 22 26.979 -24.520 1.004 1.00 11.21 H new ATOM 0 HD2 TYR A 22 28.691 -27.828 -1.067 1.00 33.03 H new ATOM 0 HE1 TYR A 22 26.843 -23.269 -1.104 1.00 53.13 H new ATOM 0 HE2 TYR A 22 28.560 -26.578 -3.175 1.00 73.04 H new ATOM 0 HH TYR A 22 27.972 -24.699 -4.177 1.00 21.11 H new ATOM 388 N PHE A 23 26.996 -29.168 3.736 1.00 22.42 N ATOM 389 CA PHE A 23 27.414 -30.136 4.745 1.00 53.44 C ATOM 390 C PHE A 23 26.751 -31.489 4.507 1.00 33.23 C ATOM 391 O PHE A 23 27.324 -32.535 4.809 1.00 20.02 O ATOM 392 CB PHE A 23 27.069 -29.625 6.145 1.00 3.22 C ATOM 393 CG PHE A 23 28.095 -29.981 7.182 1.00 24.24 C ATOM 394 CD1 PHE A 23 27.916 -31.082 8.004 1.00 14.15 C ATOM 395 CD2 PHE A 23 29.240 -29.215 7.336 1.00 72.13 C ATOM 396 CE1 PHE A 23 28.858 -31.413 8.960 1.00 41.12 C ATOM 397 CE2 PHE A 23 30.186 -29.541 8.289 1.00 71.41 C ATOM 398 CZ PHE A 23 29.994 -30.641 9.103 1.00 43.13 C ATOM 0 H PHE A 23 26.363 -28.446 4.080 1.00 22.42 H new ATOM 0 HA PHE A 23 28.494 -30.262 4.668 1.00 53.44 H new ATOM 0 HB2 PHE A 23 26.959 -28.541 6.111 1.00 3.22 H new ATOM 0 HB3 PHE A 23 26.104 -30.034 6.445 1.00 3.22 H new ATOM 0 HD1 PHE A 23 27.029 -31.689 7.896 1.00 14.15 H new ATOM 0 HD2 PHE A 23 29.395 -28.353 6.704 1.00 72.13 H new ATOM 0 HE1 PHE A 23 28.706 -32.274 9.594 1.00 41.12 H new ATOM 0 HE2 PHE A 23 31.075 -28.937 8.398 1.00 71.41 H new ATOM 0 HZ PHE A 23 30.731 -30.897 9.850 1.00 43.13 H new ATOM 408 N GLY A 24 25.537 -31.460 3.964 1.00 23.34 N ATOM 409 CA GLY A 24 24.815 -32.690 3.696 1.00 21.22 C ATOM 410 C GLY A 24 24.925 -33.123 2.248 1.00 52.24 C ATOM 411 O GLY A 24 25.489 -32.408 1.420 1.00 73.20 O ATOM 0 H GLY A 24 25.041 -30.607 3.705 1.00 23.34 H new ATOM 0 HA2 GLY A 24 25.200 -33.481 4.339 1.00 21.22 H new ATOM 0 HA3 GLY A 24 23.764 -32.554 3.953 1.00 21.22 H new ATOM 415 N GLY A 25 24.385 -34.299 1.940 1.00 42.50 N ATOM 416 CA GLY A 25 24.438 -34.806 0.581 1.00 35.14 C ATOM 417 C GLY A 25 25.761 -35.472 0.262 1.00 61.21 C ATOM 418 O GLY A 25 26.716 -34.810 -0.145 1.00 55.53 O ATOM 0 H GLY A 25 23.912 -34.909 2.607 1.00 42.50 H new ATOM 0 HA2 GLY A 25 23.629 -35.521 0.432 1.00 35.14 H new ATOM 0 HA3 GLY A 25 24.270 -33.985 -0.116 1.00 35.14 H new ATOM 422 N PHE A 26 25.820 -36.787 0.448 1.00 43.40 N ATOM 423 CA PHE A 26 27.038 -37.543 0.179 1.00 10.32 C ATOM 424 C PHE A 26 26.779 -38.645 -0.843 1.00 70.51 C ATOM 425 O PHE A 26 25.640 -38.879 -1.244 1.00 72.32 O ATOM 426 CB PHE A 26 27.583 -38.150 1.474 1.00 50.52 C ATOM 427 CG PHE A 26 26.658 -39.153 2.101 1.00 0.13 C ATOM 428 CD1 PHE A 26 26.757 -40.498 1.786 1.00 72.34 C ATOM 429 CD2 PHE A 26 25.689 -38.750 3.007 1.00 64.43 C ATOM 430 CE1 PHE A 26 25.908 -41.424 2.362 1.00 75.35 C ATOM 431 CE2 PHE A 26 24.838 -39.672 3.586 1.00 14.21 C ATOM 432 CZ PHE A 26 24.946 -41.010 3.262 1.00 30.22 C ATOM 0 H PHE A 26 25.039 -37.351 0.784 1.00 43.40 H new ATOM 0 HA PHE A 26 27.779 -36.857 -0.232 1.00 10.32 H new ATOM 0 HB2 PHE A 26 28.540 -38.630 1.267 1.00 50.52 H new ATOM 0 HB3 PHE A 26 27.776 -37.349 2.188 1.00 50.52 H new ATOM 0 HD1 PHE A 26 27.507 -40.827 1.082 1.00 72.34 H new ATOM 0 HD2 PHE A 26 25.598 -37.705 3.263 1.00 64.43 H new ATOM 0 HE1 PHE A 26 25.997 -42.470 2.109 1.00 75.35 H new ATOM 0 HE2 PHE A 26 24.088 -39.346 4.292 1.00 14.21 H new ATOM 0 HZ PHE A 26 24.279 -41.731 3.712 1.00 30.22 H new ATOM 442 N ASN A 27 27.846 -39.320 -1.260 1.00 53.45 N ATOM 443 CA ASN A 27 27.735 -40.397 -2.237 1.00 30.21 C ATOM 444 C ASN A 27 27.605 -41.749 -1.542 1.00 72.34 C ATOM 445 O ASN A 27 28.570 -42.266 -0.979 1.00 2.50 O ATOM 446 CB ASN A 27 28.953 -40.402 -3.163 1.00 2.14 C ATOM 447 CG ASN A 27 30.259 -40.279 -2.401 1.00 33.13 C ATOM 448 OD1 ASN A 27 30.548 -39.241 -1.806 1.00 11.30 O ATOM 449 ND2 ASN A 27 31.055 -41.342 -2.416 1.00 34.01 N ATOM 0 H ASN A 27 28.796 -39.140 -0.937 1.00 53.45 H new ATOM 0 HA ASN A 27 26.837 -40.225 -2.831 1.00 30.21 H new ATOM 0 HB2 ASN A 27 28.960 -41.324 -3.744 1.00 2.14 H new ATOM 0 HB3 ASN A 27 28.870 -39.578 -3.872 1.00 2.14 H new ATOM 0 HD21 ASN A 27 31.946 -41.319 -1.921 1.00 34.01 H new ATOM 0 HD22 ASN A 27 30.775 -42.182 -2.923 1.00 34.01 H new ATOM 456 N PHE A 28 26.405 -42.318 -1.587 1.00 73.34 N ATOM 457 CA PHE A 28 26.147 -43.610 -0.962 1.00 63.54 C ATOM 458 C PHE A 28 26.641 -44.751 -1.848 1.00 11.10 C ATOM 459 O PHE A 28 26.956 -45.837 -1.362 1.00 4.12 O ATOM 460 CB PHE A 28 24.652 -43.777 -0.683 1.00 62.11 C ATOM 461 CG PHE A 28 23.833 -44.009 -1.921 1.00 4.22 C ATOM 462 CD1 PHE A 28 23.311 -42.941 -2.632 1.00 44.42 C ATOM 463 CD2 PHE A 28 23.585 -45.295 -2.372 1.00 63.04 C ATOM 464 CE1 PHE A 28 22.558 -43.150 -3.772 1.00 33.42 C ATOM 465 CE2 PHE A 28 22.833 -45.511 -3.511 1.00 52.14 C ATOM 466 CZ PHE A 28 22.317 -44.437 -4.211 1.00 64.43 C ATOM 0 H PHE A 28 25.596 -41.905 -2.050 1.00 73.34 H new ATOM 0 HA PHE A 28 26.691 -43.644 -0.018 1.00 63.54 H new ATOM 0 HB2 PHE A 28 24.509 -44.615 -0.000 1.00 62.11 H new ATOM 0 HB3 PHE A 28 24.284 -42.886 -0.175 1.00 62.11 H new ATOM 0 HD1 PHE A 28 23.495 -41.933 -2.291 1.00 44.42 H new ATOM 0 HD2 PHE A 28 23.984 -46.138 -1.827 1.00 63.04 H new ATOM 0 HE1 PHE A 28 22.159 -42.308 -4.318 1.00 33.42 H new ATOM 0 HE2 PHE A 28 22.649 -46.518 -3.854 1.00 52.14 H new ATOM 0 HZ PHE A 28 21.726 -44.604 -5.100 1.00 64.43 H new ATOM 476 N SER A 29 26.704 -44.496 -3.151 1.00 3.51 N ATOM 477 CA SER A 29 27.155 -45.501 -4.106 1.00 31.11 C ATOM 478 C SER A 29 28.499 -46.087 -3.685 1.00 3.45 C ATOM 479 O SER A 29 28.778 -47.261 -3.923 1.00 61.21 O ATOM 480 CB SER A 29 27.267 -44.892 -5.505 1.00 20.30 C ATOM 481 OG SER A 29 26.050 -45.025 -6.218 1.00 14.01 O ATOM 0 H SER A 29 26.448 -43.602 -3.569 1.00 3.51 H new ATOM 0 HA SER A 29 26.418 -46.304 -4.125 1.00 31.11 H new ATOM 0 HB2 SER A 29 27.532 -43.838 -5.426 1.00 20.30 H new ATOM 0 HB3 SER A 29 28.070 -45.382 -6.055 1.00 20.30 H new ATOM 0 HG SER A 29 26.147 -44.627 -7.108 1.00 14.01 H new ATOM 487 N GLN A 30 29.328 -45.258 -3.057 1.00 32.21 N ATOM 488 CA GLN A 30 30.643 -45.693 -2.603 1.00 23.13 C ATOM 489 C GLN A 30 30.525 -46.606 -1.387 1.00 1.03 C ATOM 490 O GLN A 30 31.288 -47.562 -1.240 1.00 13.44 O ATOM 491 CB GLN A 30 31.515 -44.483 -2.264 1.00 10.33 C ATOM 492 CG GLN A 30 32.897 -44.853 -1.751 1.00 2.13 C ATOM 493 CD GLN A 30 33.802 -45.386 -2.844 1.00 2.30 C ATOM 494 OE1 GLN A 30 34.370 -46.471 -2.721 1.00 62.35 O ATOM 495 NE2 GLN A 30 33.941 -44.623 -3.922 1.00 2.21 N ATOM 0 H GLN A 30 29.112 -44.283 -2.852 1.00 32.21 H new ATOM 0 HA GLN A 30 31.111 -46.254 -3.412 1.00 23.13 H new ATOM 0 HB2 GLN A 30 31.621 -43.862 -3.153 1.00 10.33 H new ATOM 0 HB3 GLN A 30 31.007 -43.879 -1.512 1.00 10.33 H new ATOM 0 HG2 GLN A 30 33.359 -43.976 -1.298 1.00 2.13 H new ATOM 0 HG3 GLN A 30 32.800 -45.604 -0.967 1.00 2.13 H new ATOM 0 HE21 GLN A 30 33.451 -43.730 -3.982 1.00 2.21 H new ATOM 0 HE22 GLN A 30 34.538 -44.930 -4.690 1.00 2.21 H new ATOM 504 N ILE A 31 29.565 -46.305 -0.518 1.00 65.14 N ATOM 505 CA ILE A 31 29.348 -47.099 0.684 1.00 33.43 C ATOM 506 C ILE A 31 28.651 -48.415 0.355 1.00 24.52 C ATOM 507 O ILE A 31 28.839 -49.419 1.044 1.00 32.13 O ATOM 508 CB ILE A 31 28.507 -46.332 1.721 1.00 14.22 C ATOM 509 CG1 ILE A 31 29.190 -45.013 2.089 1.00 54.13 C ATOM 510 CG2 ILE A 31 28.288 -47.185 2.962 1.00 53.12 C ATOM 511 CD1 ILE A 31 30.545 -45.194 2.736 1.00 52.03 C ATOM 0 H ILE A 31 28.926 -45.517 -0.625 1.00 65.14 H new ATOM 0 HA ILE A 31 30.331 -47.306 1.107 1.00 33.43 H new ATOM 0 HB ILE A 31 27.535 -46.107 1.283 1.00 14.22 H new ATOM 0 HG12 ILE A 31 29.304 -44.409 1.189 1.00 54.13 H new ATOM 0 HG13 ILE A 31 28.544 -44.456 2.767 1.00 54.13 H new ATOM 0 HG21 ILE A 31 27.692 -46.629 3.685 1.00 53.12 H new ATOM 0 HG22 ILE A 31 27.763 -48.100 2.687 1.00 53.12 H new ATOM 0 HG23 ILE A 31 29.252 -47.438 3.404 1.00 53.12 H new ATOM 0 HD11 ILE A 31 30.970 -44.218 2.970 1.00 52.03 H new ATOM 0 HD12 ILE A 31 30.436 -45.771 3.654 1.00 52.03 H new ATOM 0 HD13 ILE A 31 31.207 -45.724 2.051 1.00 52.03 H new ATOM 523 N LEU A 32 27.848 -48.405 -0.703 1.00 64.00 N ATOM 524 CA LEU A 32 27.125 -49.599 -1.126 1.00 54.10 C ATOM 525 C LEU A 32 27.424 -49.929 -2.585 1.00 13.31 C ATOM 526 O LEU A 32 26.565 -49.818 -3.461 1.00 4.44 O ATOM 527 CB LEU A 32 25.620 -49.402 -0.934 1.00 52.30 C ATOM 528 CG LEU A 32 24.758 -50.660 -1.048 1.00 1.33 C ATOM 529 CD1 LEU A 32 24.887 -51.510 0.206 1.00 22.24 C ATOM 530 CD2 LEU A 32 23.303 -50.289 -1.296 1.00 22.04 C ATOM 0 H LEU A 32 27.681 -47.583 -1.284 1.00 64.00 H new ATOM 0 HA LEU A 32 27.458 -50.433 -0.509 1.00 54.10 H new ATOM 0 HB2 LEU A 32 25.454 -48.960 0.049 1.00 52.30 H new ATOM 0 HB3 LEU A 32 25.272 -48.679 -1.672 1.00 52.30 H new ATOM 0 HG LEU A 32 25.112 -51.245 -1.897 1.00 1.33 H new ATOM 0 HD11 LEU A 32 24.267 -52.401 0.107 1.00 22.24 H new ATOM 0 HD12 LEU A 32 25.928 -51.805 0.340 1.00 22.24 H new ATOM 0 HD13 LEU A 32 24.559 -50.934 1.071 1.00 22.24 H new ATOM 0 HD21 LEU A 32 22.704 -51.197 -1.374 1.00 22.04 H new ATOM 0 HD22 LEU A 32 22.936 -49.683 -0.468 1.00 22.04 H new ATOM 0 HD23 LEU A 32 23.225 -49.722 -2.224 1.00 22.04 H new ATOM 542 N PRO A 33 28.670 -50.346 -2.854 1.00 35.50 N ATOM 543 CA PRO A 33 29.110 -50.704 -4.206 1.00 31.03 C ATOM 544 C PRO A 33 28.465 -51.993 -4.704 1.00 21.05 C ATOM 545 O PRO A 33 27.657 -52.605 -4.004 1.00 45.43 O ATOM 546 CB PRO A 33 30.621 -50.888 -4.049 1.00 65.02 C ATOM 547 CG PRO A 33 30.814 -51.242 -2.615 1.00 15.32 C ATOM 548 CD PRO A 33 29.744 -50.503 -1.859 1.00 40.53 C ATOM 0 HA PRO A 33 28.832 -49.947 -4.939 1.00 31.03 H new ATOM 0 HB2 PRO A 33 30.994 -51.675 -4.704 1.00 65.02 H new ATOM 0 HB3 PRO A 33 31.160 -49.976 -4.307 1.00 65.02 H new ATOM 0 HG2 PRO A 33 30.727 -52.318 -2.463 1.00 15.32 H new ATOM 0 HG3 PRO A 33 31.807 -50.951 -2.271 1.00 15.32 H new ATOM 0 HD2 PRO A 33 29.406 -51.065 -0.988 1.00 40.53 H new ATOM 0 HD3 PRO A 33 30.101 -49.539 -1.497 1.00 40.53 H new ATOM 556 N SER A 34 28.827 -52.401 -5.916 1.00 4.24 N ATOM 557 CA SER A 34 28.281 -53.616 -6.508 1.00 62.13 C ATOM 558 C SER A 34 29.378 -54.652 -6.731 1.00 65.41 C ATOM 559 O SER A 34 30.568 -54.336 -6.771 1.00 73.21 O ATOM 560 CB SER A 34 27.590 -53.296 -7.835 1.00 13.42 C ATOM 561 OG SER A 34 26.196 -53.118 -7.653 1.00 54.42 O ATOM 0 H SER A 34 29.496 -51.908 -6.507 1.00 4.24 H new ATOM 0 HA SER A 34 27.549 -54.031 -5.815 1.00 62.13 H new ATOM 0 HB2 SER A 34 28.022 -52.393 -8.265 1.00 13.42 H new ATOM 0 HB3 SER A 34 27.767 -54.104 -8.545 1.00 13.42 H new ATOM 0 HG SER A 34 25.777 -52.913 -8.515 1.00 54.42 H new ATOM 567 N PRO A 35 28.971 -55.922 -6.880 1.00 0.42 N ATOM 568 CA PRO A 35 29.903 -57.031 -7.102 1.00 32.43 C ATOM 569 C PRO A 35 30.553 -56.976 -8.480 1.00 1.42 C ATOM 570 O PRO A 35 31.768 -57.127 -8.611 1.00 25.43 O ATOM 571 CB PRO A 35 29.013 -58.271 -6.980 1.00 23.10 C ATOM 572 CG PRO A 35 27.646 -57.792 -7.328 1.00 63.35 C ATOM 573 CD PRO A 35 27.569 -56.371 -6.843 1.00 62.14 C ATOM 0 HA PRO A 35 30.733 -57.013 -6.396 1.00 32.43 H new ATOM 0 HB2 PRO A 35 29.340 -59.061 -7.656 1.00 23.10 H new ATOM 0 HB3 PRO A 35 29.043 -58.682 -5.971 1.00 23.10 H new ATOM 0 HG2 PRO A 35 27.475 -57.847 -8.403 1.00 63.35 H new ATOM 0 HG3 PRO A 35 26.884 -58.409 -6.852 1.00 63.35 H new ATOM 0 HD2 PRO A 35 26.934 -55.761 -7.486 1.00 62.14 H new ATOM 0 HD3 PRO A 35 27.154 -56.312 -5.837 1.00 62.14 H new ATOM 581 N LEU A 36 29.738 -56.757 -9.505 1.00 55.52 N ATOM 582 CA LEU A 36 30.234 -56.680 -10.875 1.00 11.12 C ATOM 583 C LEU A 36 31.075 -57.905 -11.219 1.00 31.25 C ATOM 584 O LEU A 36 32.148 -57.789 -11.811 1.00 73.15 O ATOM 585 CB LEU A 36 31.062 -55.408 -11.068 1.00 30.33 C ATOM 586 CG LEU A 36 30.453 -54.120 -10.512 1.00 62.24 C ATOM 587 CD1 LEU A 36 31.452 -52.977 -10.599 1.00 63.01 C ATOM 588 CD2 LEU A 36 29.174 -53.770 -11.258 1.00 74.41 C ATOM 0 H LEU A 36 28.730 -56.629 -9.414 1.00 55.52 H new ATOM 0 HA LEU A 36 29.375 -56.652 -11.545 1.00 11.12 H new ATOM 0 HB2 LEU A 36 32.035 -55.557 -10.600 1.00 30.33 H new ATOM 0 HB3 LEU A 36 31.239 -55.272 -12.135 1.00 30.33 H new ATOM 0 HG LEU A 36 30.206 -54.281 -9.463 1.00 62.24 H new ATOM 0 HD11 LEU A 36 31.001 -52.069 -10.199 1.00 63.01 H new ATOM 0 HD12 LEU A 36 32.341 -53.226 -10.020 1.00 63.01 H new ATOM 0 HD13 LEU A 36 31.730 -52.816 -11.640 1.00 63.01 H new ATOM 0 HD21 LEU A 36 28.754 -52.851 -10.849 1.00 74.41 H new ATOM 0 HD22 LEU A 36 29.397 -53.628 -12.316 1.00 74.41 H new ATOM 0 HD23 LEU A 36 28.453 -54.580 -11.144 1.00 74.41 H new ATOM 600 N LYS A 37 30.580 -59.080 -10.844 1.00 60.01 N ATOM 601 CA LYS A 37 31.283 -60.328 -11.115 1.00 70.41 C ATOM 602 C LYS A 37 30.312 -61.504 -11.144 1.00 30.41 C ATOM 603 O LYS A 37 30.299 -62.352 -10.251 1.00 10.32 O ATOM 604 CB LYS A 37 32.362 -60.570 -10.057 1.00 60.02 C ATOM 605 CG LYS A 37 31.862 -60.413 -8.632 1.00 1.05 C ATOM 606 CD LYS A 37 32.997 -60.521 -7.627 1.00 64.04 C ATOM 607 CE LYS A 37 33.449 -61.963 -7.449 1.00 52.45 C ATOM 608 NZ LYS A 37 34.245 -62.145 -6.204 1.00 52.12 N ATOM 0 H LYS A 37 29.694 -59.194 -10.351 1.00 60.01 H new ATOM 0 HA LYS A 37 31.755 -60.245 -12.094 1.00 70.41 H new ATOM 0 HB2 LYS A 37 32.764 -61.575 -10.183 1.00 60.02 H new ATOM 0 HB3 LYS A 37 33.185 -59.874 -10.223 1.00 60.02 H new ATOM 0 HG2 LYS A 37 31.369 -59.447 -8.523 1.00 1.05 H new ATOM 0 HG3 LYS A 37 31.115 -61.178 -8.421 1.00 1.05 H new ATOM 0 HD2 LYS A 37 33.838 -59.913 -7.960 1.00 64.04 H new ATOM 0 HD3 LYS A 37 32.674 -60.119 -6.667 1.00 64.04 H new ATOM 0 HE2 LYS A 37 32.577 -62.616 -7.421 1.00 52.45 H new ATOM 0 HE3 LYS A 37 34.046 -62.265 -8.309 1.00 52.45 H new ATOM 0 HZ1 LYS A 37 34.534 -63.140 -6.119 1.00 52.12 H new ATOM 0 HZ2 LYS A 37 35.091 -61.541 -6.241 1.00 52.12 H new ATOM 0 HZ3 LYS A 37 33.667 -61.881 -5.381 1.00 52.12 H new ATOM 622 N PRO A 38 29.480 -61.560 -12.194 1.00 72.34 N ATOM 623 CA PRO A 38 28.492 -62.629 -12.365 1.00 74.45 C ATOM 624 C PRO A 38 29.140 -63.973 -12.683 1.00 11.41 C ATOM 625 O PRO A 38 30.361 -64.115 -12.619 1.00 25.41 O ATOM 626 CB PRO A 38 27.650 -62.148 -13.550 1.00 62.53 C ATOM 627 CG PRO A 38 28.555 -61.246 -14.316 1.00 62.31 C ATOM 628 CD PRO A 38 29.440 -60.584 -13.296 1.00 70.33 C ATOM 0 HA PRO A 38 27.915 -62.800 -11.456 1.00 74.45 H new ATOM 0 HB2 PRO A 38 27.314 -62.985 -14.162 1.00 62.53 H new ATOM 0 HB3 PRO A 38 26.757 -61.621 -13.213 1.00 62.53 H new ATOM 0 HG2 PRO A 38 29.146 -61.808 -15.039 1.00 62.31 H new ATOM 0 HG3 PRO A 38 27.985 -60.506 -14.877 1.00 62.31 H new ATOM 0 HD2 PRO A 38 30.435 -60.387 -13.695 1.00 70.33 H new ATOM 0 HD3 PRO A 38 29.032 -59.627 -12.971 1.00 70.33 H new ATOM 636 N THR A 39 28.314 -64.957 -13.026 1.00 45.32 N ATOM 637 CA THR A 39 28.807 -66.289 -13.353 1.00 43.31 C ATOM 638 C THR A 39 29.343 -66.342 -14.779 1.00 44.11 C ATOM 639 O THR A 39 30.057 -67.274 -15.151 1.00 75.12 O ATOM 640 CB THR A 39 27.704 -67.351 -13.192 1.00 30.35 C ATOM 641 OG1 THR A 39 26.687 -67.156 -14.181 1.00 1.14 O ATOM 642 CG2 THR A 39 27.087 -67.284 -11.803 1.00 1.04 C ATOM 0 H THR A 39 27.301 -64.856 -13.084 1.00 45.32 H new ATOM 0 HA THR A 39 29.616 -66.507 -12.655 1.00 43.31 H new ATOM 0 HB THR A 39 28.155 -68.334 -13.325 1.00 30.35 H new ATOM 0 HG1 THR A 39 25.990 -67.837 -14.072 1.00 1.14 H new ATOM 0 HG21 THR A 39 26.310 -68.044 -11.713 1.00 1.04 H new ATOM 0 HG22 THR A 39 27.858 -67.463 -11.053 1.00 1.04 H new ATOM 0 HG23 THR A 39 26.650 -66.298 -11.646 1.00 1.04 H new ATOM 650 N LYS A 40 28.997 -65.336 -15.575 1.00 14.34 N ATOM 651 CA LYS A 40 29.444 -65.266 -16.960 1.00 44.04 C ATOM 652 C LYS A 40 30.947 -65.012 -17.035 1.00 33.53 C ATOM 653 O LYS A 40 31.555 -65.138 -18.098 1.00 20.34 O ATOM 654 CB LYS A 40 28.693 -64.161 -17.706 1.00 35.01 C ATOM 655 CG LYS A 40 28.983 -64.127 -19.196 1.00 55.14 C ATOM 656 CD LYS A 40 29.795 -62.901 -19.578 1.00 61.15 C ATOM 657 CE LYS A 40 30.687 -63.176 -20.780 1.00 11.43 C ATOM 658 NZ LYS A 40 30.005 -62.850 -22.063 1.00 32.02 N ATOM 0 H LYS A 40 28.407 -64.557 -15.283 1.00 14.34 H new ATOM 0 HA LYS A 40 29.230 -66.225 -17.432 1.00 44.04 H new ATOM 0 HB2 LYS A 40 27.622 -64.296 -17.556 1.00 35.01 H new ATOM 0 HB3 LYS A 40 28.957 -63.197 -17.271 1.00 35.01 H new ATOM 0 HG2 LYS A 40 29.526 -65.028 -19.483 1.00 55.14 H new ATOM 0 HG3 LYS A 40 28.045 -64.130 -19.750 1.00 55.14 H new ATOM 0 HD2 LYS A 40 29.122 -62.074 -19.804 1.00 61.15 H new ATOM 0 HD3 LYS A 40 30.408 -62.591 -18.732 1.00 61.15 H new ATOM 0 HE2 LYS A 40 31.601 -62.589 -20.695 1.00 11.43 H new ATOM 0 HE3 LYS A 40 30.981 -64.226 -20.781 1.00 11.43 H new ATOM 0 HZ1 LYS A 40 30.645 -63.051 -22.857 1.00 32.02 H new ATOM 0 HZ2 LYS A 40 29.146 -63.428 -22.156 1.00 32.02 H new ATOM 0 HZ3 LYS A 40 29.747 -61.843 -22.073 1.00 32.02 H new ATOM 672 N ARG A 41 31.539 -64.656 -15.900 1.00 30.35 N ATOM 673 CA ARG A 41 32.970 -64.386 -15.837 1.00 2.33 C ATOM 674 C ARG A 41 33.774 -65.603 -16.285 1.00 32.13 C ATOM 675 O ARG A 41 34.942 -65.486 -16.654 1.00 61.34 O ATOM 676 CB ARG A 41 33.374 -63.990 -14.415 1.00 50.43 C ATOM 677 CG ARG A 41 33.777 -65.169 -13.546 1.00 31.25 C ATOM 678 CD ARG A 41 32.610 -66.117 -13.317 1.00 10.02 C ATOM 679 NE ARG A 41 32.441 -66.446 -11.904 1.00 14.30 N ATOM 680 CZ ARG A 41 31.794 -67.523 -11.472 1.00 53.35 C ATOM 681 NH1 ARG A 41 31.259 -68.371 -12.340 1.00 14.41 N ATOM 682 NH2 ARG A 41 31.682 -67.754 -10.171 1.00 13.54 N ATOM 0 H ARG A 41 31.050 -64.548 -15.012 1.00 30.35 H new ATOM 0 HA ARG A 41 33.188 -63.559 -16.513 1.00 2.33 H new ATOM 0 HB2 ARG A 41 34.205 -63.286 -14.465 1.00 50.43 H new ATOM 0 HB3 ARG A 41 32.542 -63.468 -13.942 1.00 50.43 H new ATOM 0 HG2 ARG A 41 34.597 -65.708 -14.020 1.00 31.25 H new ATOM 0 HG3 ARG A 41 34.146 -64.806 -12.587 1.00 31.25 H new ATOM 0 HD2 ARG A 41 31.694 -65.663 -13.695 1.00 10.02 H new ATOM 0 HD3 ARG A 41 32.770 -67.033 -13.886 1.00 10.02 H new ATOM 0 HE ARG A 41 32.842 -65.814 -11.211 1.00 14.30 H new ATOM 0 HH11 ARG A 41 31.344 -68.197 -13.341 1.00 14.41 H new ATOM 0 HH12 ARG A 41 30.763 -69.197 -12.006 1.00 14.41 H new ATOM 0 HH21 ARG A 41 32.093 -67.104 -9.500 1.00 13.54 H new ATOM 0 HH22 ARG A 41 31.185 -68.581 -9.841 1.00 13.54 H new ATOM 696 N SER A 42 33.140 -66.771 -16.248 1.00 54.41 N ATOM 697 CA SER A 42 33.796 -68.010 -16.646 1.00 65.20 C ATOM 698 C SER A 42 33.654 -68.243 -18.147 1.00 40.11 C ATOM 699 O SER A 42 32.594 -68.647 -18.627 1.00 4.14 O ATOM 700 CB SER A 42 33.207 -69.194 -15.877 1.00 24.13 C ATOM 701 OG SER A 42 31.850 -69.403 -16.224 1.00 75.21 O ATOM 0 H SER A 42 32.172 -66.885 -15.946 1.00 54.41 H new ATOM 0 HA SER A 42 34.856 -67.923 -16.408 1.00 65.20 H new ATOM 0 HB2 SER A 42 33.783 -70.094 -16.092 1.00 24.13 H new ATOM 0 HB3 SER A 42 33.288 -69.012 -14.805 1.00 24.13 H new ATOM 0 HG SER A 42 31.687 -69.061 -17.128 1.00 75.21 H new ATOM 707 N PHE A 43 34.729 -67.985 -18.884 1.00 43.21 N ATOM 708 CA PHE A 43 34.725 -68.165 -20.331 1.00 44.42 C ATOM 709 C PHE A 43 34.519 -69.632 -20.696 1.00 44.24 C ATOM 710 O PHE A 43 33.961 -69.948 -21.747 1.00 75.20 O ATOM 711 CB PHE A 43 36.037 -67.657 -20.933 1.00 43.11 C ATOM 712 CG PHE A 43 37.229 -68.492 -20.563 1.00 64.42 C ATOM 713 CD1 PHE A 43 37.693 -69.479 -21.419 1.00 3.43 C ATOM 714 CD2 PHE A 43 37.886 -68.292 -19.360 1.00 11.25 C ATOM 715 CE1 PHE A 43 38.790 -70.249 -21.082 1.00 3.05 C ATOM 716 CE2 PHE A 43 38.984 -69.059 -19.017 1.00 55.32 C ATOM 717 CZ PHE A 43 39.436 -70.039 -19.879 1.00 35.34 C ATOM 0 H PHE A 43 35.614 -67.651 -18.503 1.00 43.21 H new ATOM 0 HA PHE A 43 33.897 -67.587 -20.742 1.00 44.42 H new ATOM 0 HB2 PHE A 43 35.944 -67.632 -22.019 1.00 43.11 H new ATOM 0 HB3 PHE A 43 36.205 -66.632 -20.604 1.00 43.11 H new ATOM 0 HD1 PHE A 43 37.191 -69.648 -22.360 1.00 3.43 H new ATOM 0 HD2 PHE A 43 37.536 -67.528 -18.682 1.00 11.25 H new ATOM 0 HE1 PHE A 43 39.142 -71.014 -21.758 1.00 3.05 H new ATOM 0 HE2 PHE A 43 39.488 -68.892 -18.076 1.00 55.32 H new ATOM 0 HZ PHE A 43 40.293 -70.640 -19.613 1.00 35.34 H new ATOM 727 N ILE A 44 34.975 -70.522 -19.822 1.00 62.40 N ATOM 728 CA ILE A 44 34.841 -71.956 -20.052 1.00 13.53 C ATOM 729 C ILE A 44 33.381 -72.344 -20.263 1.00 3.14 C ATOM 730 O ILE A 44 33.081 -73.304 -20.972 1.00 10.42 O ATOM 731 CB ILE A 44 35.412 -72.770 -18.876 1.00 63.12 C ATOM 732 CG1 ILE A 44 35.371 -74.266 -19.196 1.00 44.21 C ATOM 733 CG2 ILE A 44 34.638 -72.474 -17.601 1.00 35.44 C ATOM 734 CD1 ILE A 44 36.342 -75.086 -18.376 1.00 2.14 C ATOM 0 H ILE A 44 35.440 -70.276 -18.948 1.00 62.40 H new ATOM 0 HA ILE A 44 35.410 -72.186 -20.953 1.00 13.53 H new ATOM 0 HB ILE A 44 36.451 -72.479 -18.722 1.00 63.12 H new ATOM 0 HG12 ILE A 44 34.361 -74.638 -19.027 1.00 44.21 H new ATOM 0 HG13 ILE A 44 35.590 -74.409 -20.254 1.00 44.21 H new ATOM 0 HG21 ILE A 44 35.054 -73.057 -16.779 1.00 35.44 H new ATOM 0 HG22 ILE A 44 34.714 -71.412 -17.367 1.00 35.44 H new ATOM 0 HG23 ILE A 44 33.590 -72.740 -17.741 1.00 35.44 H new ATOM 0 HD11 ILE A 44 36.258 -76.136 -18.656 1.00 2.14 H new ATOM 0 HD12 ILE A 44 37.359 -74.741 -18.563 1.00 2.14 H new ATOM 0 HD13 ILE A 44 36.110 -74.973 -17.317 1.00 2.14 H new ATOM 746 N GLU A 45 32.478 -71.590 -19.643 1.00 64.20 N ATOM 747 CA GLU A 45 31.050 -71.856 -19.764 1.00 53.33 C ATOM 748 C GLU A 45 30.601 -71.762 -21.220 1.00 15.23 C ATOM 749 O GLU A 45 29.866 -72.619 -21.710 1.00 74.11 O ATOM 750 CB GLU A 45 30.251 -70.871 -18.908 1.00 11.00 C ATOM 751 CG GLU A 45 28.810 -71.295 -18.677 1.00 23.14 C ATOM 752 CD GLU A 45 28.159 -70.547 -17.530 1.00 30.25 C ATOM 753 OE1 GLU A 45 27.621 -69.446 -17.770 1.00 12.03 O ATOM 754 OE2 GLU A 45 28.188 -71.062 -16.392 1.00 75.24 O ATOM 0 H GLU A 45 32.710 -70.791 -19.053 1.00 64.20 H new ATOM 0 HA GLU A 45 30.863 -72.869 -19.409 1.00 53.33 H new ATOM 0 HB2 GLU A 45 30.746 -70.756 -17.944 1.00 11.00 H new ATOM 0 HB3 GLU A 45 30.260 -69.893 -19.390 1.00 11.00 H new ATOM 0 HG2 GLU A 45 28.235 -71.127 -19.588 1.00 23.14 H new ATOM 0 HG3 GLU A 45 28.778 -72.365 -18.473 1.00 23.14 H new ATOM 761 N ASP A 46 31.047 -70.714 -21.904 1.00 22.51 N ATOM 762 CA ASP A 46 30.692 -70.508 -23.303 1.00 44.42 C ATOM 763 C ASP A 46 31.243 -71.632 -24.175 1.00 51.43 C ATOM 764 O ASP A 46 30.593 -72.069 -25.126 1.00 23.31 O ATOM 765 CB ASP A 46 31.223 -69.159 -23.792 1.00 64.11 C ATOM 766 CG ASP A 46 30.325 -68.005 -23.395 1.00 13.40 C ATOM 767 OD1 ASP A 46 29.962 -67.203 -24.281 1.00 40.52 O ATOM 768 OD2 ASP A 46 29.983 -67.903 -22.198 1.00 64.42 O ATOM 0 H ASP A 46 31.655 -69.994 -21.512 1.00 22.51 H new ATOM 0 HA ASP A 46 29.605 -70.512 -23.381 1.00 44.42 H new ATOM 0 HB2 ASP A 46 32.221 -68.996 -23.385 1.00 64.11 H new ATOM 0 HB3 ASP A 46 31.321 -69.182 -24.877 1.00 64.11 H new ATOM 773 N LEU A 47 32.444 -72.094 -23.847 1.00 21.03 N ATOM 774 CA LEU A 47 33.083 -73.167 -24.601 1.00 4.14 C ATOM 775 C LEU A 47 32.221 -74.425 -24.595 1.00 24.35 C ATOM 776 O LEU A 47 32.201 -75.181 -25.567 1.00 33.43 O ATOM 777 CB LEU A 47 34.462 -73.477 -24.015 1.00 43.33 C ATOM 778 CG LEU A 47 35.407 -74.278 -24.911 1.00 43.15 C ATOM 779 CD1 LEU A 47 36.101 -73.363 -25.909 1.00 74.11 C ATOM 780 CD2 LEU A 47 36.431 -75.028 -24.072 1.00 1.44 C ATOM 0 H LEU A 47 32.995 -71.743 -23.064 1.00 21.03 H new ATOM 0 HA LEU A 47 33.199 -72.834 -25.632 1.00 4.14 H new ATOM 0 HB2 LEU A 47 34.947 -72.534 -23.760 1.00 43.33 H new ATOM 0 HB3 LEU A 47 34.324 -74.026 -23.084 1.00 43.33 H new ATOM 0 HG LEU A 47 34.818 -75.007 -25.466 1.00 43.15 H new ATOM 0 HD11 LEU A 47 36.769 -73.951 -26.538 1.00 74.11 H new ATOM 0 HD12 LEU A 47 35.354 -72.872 -26.533 1.00 74.11 H new ATOM 0 HD13 LEU A 47 36.677 -72.610 -25.372 1.00 74.11 H new ATOM 0 HD21 LEU A 47 37.095 -75.592 -24.727 1.00 1.44 H new ATOM 0 HD22 LEU A 47 37.015 -74.316 -23.489 1.00 1.44 H new ATOM 0 HD23 LEU A 47 35.917 -75.714 -23.398 1.00 1.44 H new ATOM 792 N LEU A 48 31.509 -74.643 -23.494 1.00 44.13 N ATOM 793 CA LEU A 48 30.643 -75.809 -23.362 1.00 53.10 C ATOM 794 C LEU A 48 29.469 -75.728 -24.332 1.00 54.53 C ATOM 795 O LEU A 48 28.993 -76.746 -24.834 1.00 74.11 O ATOM 796 CB LEU A 48 30.126 -75.925 -21.927 1.00 0.41 C ATOM 797 CG LEU A 48 31.180 -76.205 -20.855 1.00 13.53 C ATOM 798 CD1 LEU A 48 30.537 -76.264 -19.478 1.00 22.34 C ATOM 799 CD2 LEU A 48 31.918 -77.500 -21.158 1.00 33.44 C ATOM 0 H LEU A 48 31.515 -74.028 -22.681 1.00 44.13 H new ATOM 0 HA LEU A 48 31.230 -76.695 -23.603 1.00 53.10 H new ATOM 0 HB2 LEU A 48 29.613 -74.998 -21.671 1.00 0.41 H new ATOM 0 HB3 LEU A 48 29.382 -76.721 -21.893 1.00 0.41 H new ATOM 0 HG LEU A 48 31.903 -75.389 -20.861 1.00 13.53 H new ATOM 0 HD11 LEU A 48 31.302 -76.464 -18.728 1.00 22.34 H new ATOM 0 HD12 LEU A 48 30.055 -75.311 -19.260 1.00 22.34 H new ATOM 0 HD13 LEU A 48 29.792 -77.060 -19.458 1.00 22.34 H new ATOM 0 HD21 LEU A 48 32.664 -77.683 -20.385 1.00 33.44 H new ATOM 0 HD22 LEU A 48 31.208 -78.327 -21.180 1.00 33.44 H new ATOM 0 HD23 LEU A 48 32.412 -77.419 -22.127 1.00 33.44 H new ATOM 811 N PHE A 49 29.007 -74.509 -24.594 1.00 22.01 N ATOM 812 CA PHE A 49 27.889 -74.294 -25.505 1.00 64.24 C ATOM 813 C PHE A 49 28.176 -74.910 -26.872 1.00 40.40 C ATOM 814 O PHE A 49 27.332 -75.599 -27.443 1.00 42.44 O ATOM 815 CB PHE A 49 27.607 -72.798 -25.656 1.00 42.14 C ATOM 816 CG PHE A 49 26.266 -72.499 -26.264 1.00 25.12 C ATOM 817 CD1 PHE A 49 26.148 -72.235 -27.619 1.00 23.22 C ATOM 818 CD2 PHE A 49 25.124 -72.482 -25.480 1.00 3.44 C ATOM 819 CE1 PHE A 49 24.916 -71.960 -28.181 1.00 71.22 C ATOM 820 CE2 PHE A 49 23.889 -72.208 -26.036 1.00 43.33 C ATOM 821 CZ PHE A 49 23.785 -71.945 -27.388 1.00 61.44 C ATOM 0 H PHE A 49 29.390 -73.655 -24.188 1.00 22.01 H new ATOM 0 HA PHE A 49 27.010 -74.781 -25.083 1.00 64.24 H new ATOM 0 HB2 PHE A 49 27.666 -72.324 -24.676 1.00 42.14 H new ATOM 0 HB3 PHE A 49 28.385 -72.350 -26.274 1.00 42.14 H new ATOM 0 HD1 PHE A 49 27.029 -72.244 -28.243 1.00 23.22 H new ATOM 0 HD2 PHE A 49 25.200 -72.685 -24.422 1.00 3.44 H new ATOM 0 HE1 PHE A 49 24.837 -71.757 -29.239 1.00 71.22 H new ATOM 0 HE2 PHE A 49 23.006 -72.199 -25.414 1.00 43.33 H new ATOM 0 HZ PHE A 49 22.821 -71.728 -27.824 1.00 61.44 H new ATOM 831 N ASN A 50 29.373 -74.654 -27.390 1.00 21.31 N ATOM 832 CA ASN A 50 29.772 -75.182 -28.690 1.00 13.31 C ATOM 833 C ASN A 50 29.776 -76.707 -28.680 1.00 23.31 C ATOM 834 O ASN A 50 29.657 -77.347 -29.725 1.00 50.22 O ATOM 835 CB ASN A 50 31.158 -74.659 -29.072 1.00 51.14 C ATOM 836 CG ASN A 50 31.598 -75.137 -30.443 1.00 23.04 C ATOM 837 OD1 ASN A 50 32.346 -76.108 -30.563 1.00 15.11 O ATOM 838 ND2 ASN A 50 31.136 -74.455 -31.484 1.00 12.11 N ATOM 0 H ASN A 50 30.083 -74.085 -26.930 1.00 21.31 H new ATOM 0 HA ASN A 50 29.047 -74.844 -29.430 1.00 13.31 H new ATOM 0 HB2 ASN A 50 31.150 -73.569 -29.055 1.00 51.14 H new ATOM 0 HB3 ASN A 50 31.884 -74.983 -28.327 1.00 51.14 H new ATOM 0 HD21 ASN A 50 31.399 -74.729 -32.431 1.00 12.11 H new ATOM 0 HD22 ASN A 50 30.518 -73.657 -31.337 1.00 12.11 H new ATOM 845 N LYS A 51 29.914 -77.285 -27.491 1.00 62.24 N ATOM 846 CA LYS A 51 29.932 -78.736 -27.343 1.00 5.42 C ATOM 847 C LYS A 51 28.544 -79.265 -27.000 1.00 13.15 C ATOM 848 O LYS A 51 28.402 -80.201 -26.213 1.00 22.21 O ATOM 849 CB LYS A 51 30.929 -79.145 -26.256 1.00 10.01 C ATOM 850 CG LYS A 51 32.380 -78.926 -26.647 1.00 41.13 C ATOM 851 CD LYS A 51 32.808 -79.873 -27.756 1.00 32.23 C ATOM 852 CE LYS A 51 32.790 -81.321 -27.289 1.00 42.24 C ATOM 853 NZ LYS A 51 33.541 -82.212 -28.217 1.00 54.43 N ATOM 0 H LYS A 51 30.015 -76.771 -26.616 1.00 62.24 H new ATOM 0 HA LYS A 51 30.242 -79.170 -28.294 1.00 5.42 H new ATOM 0 HB2 LYS A 51 30.717 -78.579 -25.349 1.00 10.01 H new ATOM 0 HB3 LYS A 51 30.781 -80.198 -26.017 1.00 10.01 H new ATOM 0 HG2 LYS A 51 32.518 -77.895 -26.974 1.00 41.13 H new ATOM 0 HG3 LYS A 51 33.019 -79.072 -25.776 1.00 41.13 H new ATOM 0 HD2 LYS A 51 32.143 -79.757 -28.612 1.00 32.23 H new ATOM 0 HD3 LYS A 51 33.811 -79.611 -28.093 1.00 32.23 H new ATOM 0 HE2 LYS A 51 33.224 -81.386 -26.291 1.00 42.24 H new ATOM 0 HE3 LYS A 51 31.759 -81.665 -27.211 1.00 42.24 H new ATOM 0 HZ1 LYS A 51 33.505 -83.190 -27.864 1.00 54.43 H new ATOM 0 HZ2 LYS A 51 33.111 -82.169 -29.163 1.00 54.43 H new ATOM 0 HZ3 LYS A 51 34.531 -81.900 -28.272 1.00 54.43 H new ATOM 867 N VAL A 52 27.521 -78.660 -27.596 1.00 31.43 N ATOM 868 CA VAL A 52 26.143 -79.073 -27.355 1.00 3.21 C ATOM 869 C VAL A 52 25.752 -80.237 -28.259 1.00 1.52 C ATOM 870 O VAL A 52 24.607 -80.691 -28.245 1.00 45.13 O ATOM 871 CB VAL A 52 25.161 -77.908 -27.582 1.00 20.34 C ATOM 872 CG1 VAL A 52 25.042 -77.590 -29.064 1.00 64.53 C ATOM 873 CG2 VAL A 52 23.800 -78.237 -26.988 1.00 14.02 C ATOM 0 H VAL A 52 27.620 -77.883 -28.249 1.00 31.43 H new ATOM 0 HA VAL A 52 26.085 -79.390 -26.314 1.00 3.21 H new ATOM 0 HB VAL A 52 25.550 -77.024 -27.076 1.00 20.34 H new ATOM 0 HG11 VAL A 52 24.344 -76.765 -29.204 1.00 64.53 H new ATOM 0 HG12 VAL A 52 26.020 -77.309 -29.455 1.00 64.53 H new ATOM 0 HG13 VAL A 52 24.677 -78.468 -29.596 1.00 64.53 H new ATOM 0 HG21 VAL A 52 23.118 -77.404 -27.157 1.00 14.02 H new ATOM 0 HG22 VAL A 52 23.402 -79.133 -27.464 1.00 14.02 H new ATOM 0 HG23 VAL A 52 23.903 -78.410 -25.917 1.00 14.02 H new ATOM 883 N THR A 53 26.711 -80.717 -29.045 1.00 12.42 N ATOM 884 CA THR A 53 26.467 -81.827 -29.956 1.00 62.33 C ATOM 885 C THR A 53 25.985 -83.061 -29.203 1.00 31.54 C ATOM 886 O THR A 53 25.350 -83.945 -29.780 1.00 34.15 O ATOM 887 CB THR A 53 27.735 -82.189 -30.753 1.00 21.02 C ATOM 888 OG1 THR A 53 28.501 -81.008 -31.017 1.00 70.41 O ATOM 889 CG2 THR A 53 27.374 -82.870 -32.064 1.00 44.14 C ATOM 0 H THR A 53 27.664 -80.354 -29.068 1.00 12.42 H new ATOM 0 HA THR A 53 25.691 -81.502 -30.649 1.00 62.33 H new ATOM 0 HB THR A 53 28.329 -82.880 -30.155 1.00 21.02 H new ATOM 0 HG1 THR A 53 29.306 -81.246 -31.522 1.00 70.41 H new ATOM 0 HG21 THR A 53 28.285 -83.116 -32.609 1.00 44.14 H new ATOM 0 HG22 THR A 53 26.816 -83.784 -31.858 1.00 44.14 H new ATOM 0 HG23 THR A 53 26.761 -82.199 -32.666 1.00 44.14 H new ATOM 897 N LEU A 54 26.290 -83.116 -27.911 1.00 34.42 N ATOM 898 CA LEU A 54 25.886 -84.243 -27.077 1.00 21.32 C ATOM 899 C LEU A 54 24.368 -84.391 -27.058 1.00 41.21 C ATOM 900 O LEU A 54 23.842 -85.458 -26.744 1.00 61.22 O ATOM 901 CB LEU A 54 26.410 -84.061 -25.651 1.00 72.31 C ATOM 902 CG LEU A 54 25.587 -83.145 -24.746 1.00 14.44 C ATOM 903 CD1 LEU A 54 26.083 -83.227 -23.310 1.00 53.53 C ATOM 904 CD2 LEU A 54 25.640 -81.710 -25.249 1.00 51.42 C ATOM 0 H LEU A 54 26.815 -82.394 -27.418 1.00 34.42 H new ATOM 0 HA LEU A 54 26.315 -85.150 -27.503 1.00 21.32 H new ATOM 0 HB2 LEU A 54 26.473 -85.042 -25.180 1.00 72.31 H new ATOM 0 HB3 LEU A 54 27.425 -83.668 -25.706 1.00 72.31 H new ATOM 0 HG LEU A 54 24.550 -83.479 -24.770 1.00 14.44 H new ATOM 0 HD11 LEU A 54 25.485 -82.568 -22.680 1.00 53.53 H new ATOM 0 HD12 LEU A 54 25.992 -84.252 -22.952 1.00 53.53 H new ATOM 0 HD13 LEU A 54 27.128 -82.919 -23.268 1.00 53.53 H new ATOM 0 HD21 LEU A 54 25.048 -81.072 -24.592 1.00 51.42 H new ATOM 0 HD22 LEU A 54 26.674 -81.365 -25.255 1.00 51.42 H new ATOM 0 HD23 LEU A 54 25.236 -81.664 -26.260 1.00 51.42 H new ATOM 916 N ALA A 55 23.670 -83.313 -27.398 1.00 53.45 N ATOM 917 CA ALA A 55 22.212 -83.323 -27.425 1.00 24.31 C ATOM 918 C ALA A 55 21.689 -84.350 -28.424 1.00 10.32 C ATOM 919 O ALA A 55 20.730 -85.070 -28.144 1.00 5.23 O ATOM 920 CB ALA A 55 21.680 -81.938 -27.761 1.00 44.01 C ATOM 0 H ALA A 55 24.090 -82.421 -27.659 1.00 53.45 H new ATOM 0 HA ALA A 55 21.857 -83.605 -26.434 1.00 24.31 H new ATOM 0 HB1 ALA A 55 20.590 -81.961 -27.778 1.00 44.01 H new ATOM 0 HB2 ALA A 55 22.017 -81.226 -27.007 1.00 44.01 H new ATOM 0 HB3 ALA A 55 22.051 -81.633 -28.739 1.00 44.01 H new ATOM 926 N ASP A 56 22.323 -84.411 -29.589 1.00 44.13 N ATOM 927 CA ASP A 56 21.922 -85.350 -30.630 1.00 53.02 C ATOM 928 C ASP A 56 22.795 -86.600 -30.600 1.00 70.45 C ATOM 929 O ASP A 56 22.300 -87.719 -30.737 1.00 53.40 O ATOM 930 CB ASP A 56 22.006 -84.686 -32.006 1.00 21.43 C ATOM 931 CG ASP A 56 23.398 -84.173 -32.316 1.00 42.41 C ATOM 932 OD1 ASP A 56 23.712 -83.031 -31.918 1.00 41.12 O ATOM 933 OD2 ASP A 56 24.174 -84.912 -32.956 1.00 62.32 O ATOM 0 H ASP A 56 23.117 -83.821 -29.837 1.00 44.13 H new ATOM 0 HA ASP A 56 20.890 -85.645 -30.441 1.00 53.02 H new ATOM 0 HB2 ASP A 56 21.707 -85.403 -32.771 1.00 21.43 H new ATOM 0 HB3 ASP A 56 21.298 -83.858 -32.051 1.00 21.43 H new ATOM 938 N ALA A 57 24.097 -86.403 -30.422 1.00 50.41 N ATOM 939 CA ALA A 57 25.039 -87.514 -30.374 1.00 11.14 C ATOM 940 C ALA A 57 24.710 -88.463 -29.226 1.00 74.15 C ATOM 941 O ALA A 57 25.136 -89.617 -29.221 1.00 31.12 O ATOM 942 CB ALA A 57 26.462 -86.994 -30.239 1.00 4.33 C ATOM 0 H ALA A 57 24.524 -85.483 -30.309 1.00 50.41 H new ATOM 0 HA ALA A 57 24.954 -88.071 -31.307 1.00 11.14 H new ATOM 0 HB1 ALA A 57 27.155 -87.835 -30.204 1.00 4.33 H new ATOM 0 HB2 ALA A 57 26.701 -86.362 -31.094 1.00 4.33 H new ATOM 0 HB3 ALA A 57 26.551 -86.412 -29.322 1.00 4.33 H new ATOM 948 N GLY A 58 23.948 -87.969 -28.255 1.00 41.50 N ATOM 949 CA GLY A 58 23.575 -88.786 -27.115 1.00 65.25 C ATOM 950 C GLY A 58 22.762 -90.001 -27.515 1.00 21.20 C ATOM 951 O GLY A 58 22.618 -90.944 -26.737 1.00 21.33 O ATOM 0 H GLY A 58 23.582 -87.017 -28.238 1.00 41.50 H new ATOM 0 HA2 GLY A 58 24.476 -89.111 -26.594 1.00 65.25 H new ATOM 0 HA3 GLY A 58 23.000 -88.183 -26.412 1.00 65.25 H new ATOM 955 N PHE A 59 22.227 -89.979 -28.731 1.00 71.31 N ATOM 956 CA PHE A 59 21.421 -91.087 -29.232 1.00 12.42 C ATOM 957 C PHE A 59 22.244 -92.369 -29.305 1.00 63.20 C ATOM 958 O PHE A 59 21.696 -93.466 -29.404 1.00 70.41 O ATOM 959 CB PHE A 59 20.856 -90.750 -30.613 1.00 60.35 C ATOM 960 CG PHE A 59 21.830 -90.985 -31.733 1.00 32.24 C ATOM 961 CD1 PHE A 59 21.494 -91.801 -32.801 1.00 21.00 C ATOM 962 CD2 PHE A 59 23.081 -90.391 -31.716 1.00 3.31 C ATOM 963 CE1 PHE A 59 22.388 -92.019 -33.833 1.00 33.13 C ATOM 964 CE2 PHE A 59 23.979 -90.605 -32.745 1.00 12.32 C ATOM 965 CZ PHE A 59 23.632 -91.421 -33.804 1.00 1.21 C ATOM 0 H PHE A 59 22.337 -89.206 -29.388 1.00 71.31 H new ATOM 0 HA PHE A 59 20.595 -91.246 -28.538 1.00 12.42 H new ATOM 0 HB2 PHE A 59 19.963 -91.349 -30.787 1.00 60.35 H new ATOM 0 HB3 PHE A 59 20.546 -89.705 -30.625 1.00 60.35 H new ATOM 0 HD1 PHE A 59 20.523 -92.272 -32.828 1.00 21.00 H new ATOM 0 HD2 PHE A 59 23.358 -89.753 -30.890 1.00 3.31 H new ATOM 0 HE1 PHE A 59 22.114 -92.656 -34.661 1.00 33.13 H new ATOM 0 HE2 PHE A 59 24.951 -90.135 -32.721 1.00 12.32 H new ATOM 0 HZ PHE A 59 24.333 -91.591 -34.608 1.00 1.21 H new ATOM 975 N MET A 60 23.564 -92.221 -29.256 1.00 22.40 N ATOM 976 CA MET A 60 24.464 -93.368 -29.316 1.00 52.51 C ATOM 977 C MET A 60 24.233 -94.302 -28.133 1.00 60.41 C ATOM 978 O MET A 60 24.659 -95.458 -28.149 1.00 53.40 O ATOM 979 CB MET A 60 25.920 -92.899 -29.335 1.00 22.44 C ATOM 980 CG MET A 60 26.309 -92.174 -30.613 1.00 22.04 C ATOM 981 SD MET A 60 27.998 -91.543 -30.567 1.00 33.31 S ATOM 982 CE MET A 60 28.914 -93.052 -30.262 1.00 3.42 C ATOM 0 H MET A 60 24.034 -91.319 -29.175 1.00 22.40 H new ATOM 0 HA MET A 60 24.255 -93.916 -30.235 1.00 52.51 H new ATOM 0 HB2 MET A 60 26.091 -92.238 -28.486 1.00 22.44 H new ATOM 0 HB3 MET A 60 26.573 -93.762 -29.204 1.00 22.44 H new ATOM 0 HG2 MET A 60 26.202 -92.853 -31.459 1.00 22.04 H new ATOM 0 HG3 MET A 60 25.620 -91.346 -30.780 1.00 22.04 H new ATOM 0 HE1 MET A 60 29.965 -92.894 -30.503 1.00 3.42 H new ATOM 0 HE2 MET A 60 28.820 -93.329 -29.212 1.00 3.42 H new ATOM 0 HE3 MET A 60 28.515 -93.852 -30.886 1.00 3.42 H new ATOM 992 N LYS A 61 23.557 -93.796 -27.108 1.00 12.14 N ATOM 993 CA LYS A 61 23.268 -94.585 -25.916 1.00 62.21 C ATOM 994 C LYS A 61 22.418 -95.803 -26.263 1.00 61.31 C ATOM 995 O LYS A 61 22.331 -96.752 -25.484 1.00 53.10 O ATOM 996 CB LYS A 61 22.548 -93.728 -24.873 1.00 53.43 C ATOM 997 CG LYS A 61 21.035 -93.753 -25.005 1.00 52.45 C ATOM 998 CD LYS A 61 20.576 -93.085 -26.291 1.00 42.11 C ATOM 999 CE LYS A 61 19.123 -93.410 -26.600 1.00 70.24 C ATOM 1000 NZ LYS A 61 18.200 -92.857 -25.571 1.00 73.31 N ATOM 0 H LYS A 61 23.198 -92.842 -27.078 1.00 12.14 H new ATOM 0 HA LYS A 61 24.215 -94.930 -25.502 1.00 62.21 H new ATOM 0 HB2 LYS A 61 22.823 -94.075 -23.877 1.00 53.43 H new ATOM 0 HB3 LYS A 61 22.895 -92.698 -24.959 1.00 53.43 H new ATOM 0 HG2 LYS A 61 20.684 -94.785 -24.985 1.00 52.45 H new ATOM 0 HG3 LYS A 61 20.586 -93.247 -24.151 1.00 52.45 H new ATOM 0 HD2 LYS A 61 20.698 -92.005 -26.205 1.00 42.11 H new ATOM 0 HD3 LYS A 61 21.207 -93.412 -27.117 1.00 42.11 H new ATOM 0 HE2 LYS A 61 18.861 -93.006 -27.578 1.00 70.24 H new ATOM 0 HE3 LYS A 61 18.997 -94.491 -26.657 1.00 70.24 H new ATOM 0 HZ1 LYS A 61 17.217 -93.071 -25.835 1.00 73.31 H new ATOM 0 HZ2 LYS A 61 18.412 -93.287 -24.648 1.00 73.31 H new ATOM 0 HZ3 LYS A 61 18.326 -91.826 -25.510 1.00 73.31 H new ATOM 1014 N GLN A 62 21.795 -95.770 -27.437 1.00 4.31 N ATOM 1015 CA GLN A 62 20.953 -96.872 -27.886 1.00 63.11 C ATOM 1016 C GLN A 62 21.798 -98.086 -28.259 1.00 44.42 C ATOM 1017 O GLN A 62 21.274 -99.181 -28.460 1.00 63.52 O ATOM 1018 CB GLN A 62 20.105 -96.439 -29.083 1.00 42.21 C ATOM 1019 CG GLN A 62 19.113 -97.496 -29.540 1.00 63.14 C ATOM 1020 CD GLN A 62 18.226 -97.014 -30.671 1.00 44.14 C ATOM 1021 OE1 GLN A 62 17.112 -96.542 -30.444 1.00 31.51 O ATOM 1022 NE2 GLN A 62 18.718 -97.129 -31.900 1.00 34.53 N ATOM 0 H GLN A 62 21.858 -94.992 -28.094 1.00 4.31 H new ATOM 0 HA GLN A 62 20.293 -97.150 -27.064 1.00 63.11 H new ATOM 0 HB2 GLN A 62 19.561 -95.531 -28.823 1.00 42.21 H new ATOM 0 HB3 GLN A 62 20.765 -96.189 -29.914 1.00 42.21 H new ATOM 0 HG2 GLN A 62 19.657 -98.384 -29.863 1.00 63.14 H new ATOM 0 HG3 GLN A 62 18.490 -97.793 -28.696 1.00 63.14 H new ATOM 0 HE21 GLN A 62 19.647 -97.526 -32.043 1.00 34.53 H new ATOM 0 HE22 GLN A 62 18.167 -96.820 -32.701 1.00 34.53 H new ATOM 1031 N TYR A 63 23.108 -97.883 -28.351 1.00 11.35 N ATOM 1032 CA TYR A 63 24.026 -98.960 -28.702 1.00 55.25 C ATOM 1033 C TYR A 63 23.863-100.145 -27.756 1.00 20.12 C ATOM 1034 O TYR A 63 24.152-101.286 -28.115 1.00 41.42 O ATOM 1035 CB TYR A 63 25.470 -98.459 -28.667 1.00 64.02 C ATOM 1036 CG TYR A 63 26.051 -98.384 -27.273 1.00 43.33 C ATOM 1037 CD1 TYR A 63 27.210 -99.077 -26.944 1.00 51.31 C ATOM 1038 CD2 TYR A 63 25.441 -97.621 -26.285 1.00 45.44 C ATOM 1039 CE1 TYR A 63 27.744 -99.011 -25.672 1.00 30.53 C ATOM 1040 CE2 TYR A 63 25.969 -97.548 -25.011 1.00 23.31 C ATOM 1041 CZ TYR A 63 27.120 -98.246 -24.709 1.00 4.42 C ATOM 1042 OH TYR A 63 27.649 -98.177 -23.440 1.00 34.41 O ATOM 0 H TYR A 63 23.558 -96.982 -28.187 1.00 11.35 H new ATOM 0 HA TYR A 63 23.788 -99.291 -29.713 1.00 55.25 H new ATOM 0 HB2 TYR A 63 26.089 -99.119 -29.275 1.00 64.02 H new ATOM 0 HB3 TYR A 63 25.514 -97.470 -29.124 1.00 64.02 H new ATOM 0 HD1 TYR A 63 27.701 -99.677 -27.696 1.00 51.31 H new ATOM 0 HD2 TYR A 63 24.538 -97.076 -26.517 1.00 45.44 H new ATOM 0 HE1 TYR A 63 28.645 -99.556 -25.433 1.00 30.53 H new ATOM 0 HE2 TYR A 63 25.484 -96.948 -24.255 1.00 23.31 H new ATOM 0 HH TYR A 63 27.090 -97.595 -22.884 1.00 34.41 H new ATOM 1052 N GLY A 64 23.397 -99.865 -26.542 1.00 72.43 N ATOM 1053 CA GLY A 64 23.203-100.917 -25.562 1.00 33.44 C ATOM 1054 C GLY A 64 22.352-102.055 -26.092 1.00 4.31 C ATOM 1055 O GLY A 64 21.746-101.940 -27.156 1.00 51.14 O ATOM 0 H GLY A 64 23.151 -98.929 -26.221 1.00 72.43 H new ATOM 0 HA2 GLY A 64 24.174-101.306 -25.255 1.00 33.44 H new ATOM 0 HA3 GLY A 64 22.731-100.498 -24.673 1.00 33.44 H new ATOM 1059 N GLU A 65 22.310-103.156 -25.349 1.00 35.14 N ATOM 1060 CA GLU A 65 21.529-104.320 -25.753 1.00 10.43 C ATOM 1061 C GLU A 65 20.195-104.363 -25.014 1.00 14.13 C ATOM 1062 O GLU A 65 20.089-103.905 -23.877 1.00 13.43 O ATOM 1063 CB GLU A 65 22.314-105.606 -25.486 1.00 40.32 C ATOM 1064 CG GLU A 65 21.696-106.839 -26.123 1.00 31.11 C ATOM 1065 CD GLU A 65 22.442-108.112 -25.774 1.00 4.01 C ATOM 1066 OE1 GLU A 65 22.766-108.883 -26.702 1.00 40.40 O ATOM 1067 OE2 GLU A 65 22.703-108.338 -24.574 1.00 15.23 O ATOM 0 H GLU A 65 22.807-103.267 -24.465 1.00 35.14 H new ATOM 0 HA GLU A 65 21.330-104.239 -26.822 1.00 10.43 H new ATOM 0 HB2 GLU A 65 23.331-105.485 -25.860 1.00 40.32 H new ATOM 0 HB3 GLU A 65 22.386-105.761 -24.409 1.00 40.32 H new ATOM 0 HG2 GLU A 65 20.659-106.930 -25.799 1.00 31.11 H new ATOM 0 HG3 GLU A 65 21.682-106.716 -27.206 1.00 31.11 H new TER 1074 GLU A 65