USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 955 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 ASN : amide:sc= 0 K(o=-1,f=-3.2) USER MOD Set 1.2: A 60 MET CE :methyl 173:sc= -0.998 (180deg=-1.15) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= 0 (180deg=-0.0379) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.28 USER MOD Single : A 30 CYS SG : rot -120:sc= -0.889 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -130:sc= -0.0168 USER MOD Single : A 35 ASN : amide:sc= -1.24 K(o=-1.2,f=-1.9!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -166:sc= -1.19 (180deg=-1.31) USER MOD Single : A 47 THR OG1 : rot 7:sc= 0.829! USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -124:sc= -2.91 (180deg=-7.95!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -1.47 F(o=-3,f=-1.5) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -1.78 K(o=-1.8,f=-6.9!) USER MOD Single : A 73 HIS : no HD1:sc= -1.89 K(o=-1.9,f=-2.8!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -145:sc= -1.5 (180deg=-4.47!) USER MOD Single : A 82 THR OG1 : rot 71:sc= 1.28 USER MOD Single : A 84 HIS : no HD1:sc= -0.329 X(o=-0.33,f=-0.066) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc=-0.00144 X(o=-0.0014,f=-0.097) USER MOD Single : A 96 GLN : amide:sc= -0.928 K(o=-0.93,f=-2!) USER MOD Single : A 101 TYR OH : rot -140:sc= 0.0395 USER MOD Single : A 104 LYS NZ :NH3+ 153:sc= 0.174 (180deg=-0.754) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= -0.0532 X(o=-0.053,f=-0.0044) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.0551 K(o=-0.055,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.534 0.895 -5.683 1.00 12.30 N ATOM 2 CA MET A 1 1.040 0.398 -4.404 1.00 74.44 C ATOM 3 C MET A 1 1.244 1.432 -3.303 1.00 11.45 C ATOM 4 O MET A 1 1.683 1.101 -2.202 1.00 24.21 O ATOM 5 CB MET A 1 1.747 -0.907 -4.033 1.00 3.14 C ATOM 6 CG MET A 1 1.049 -1.684 -2.929 1.00 34.11 C ATOM 7 SD MET A 1 1.407 -3.450 -2.989 1.00 21.20 S ATOM 8 CE MET A 1 -0.242 -4.135 -2.847 1.00 24.42 C ATOM 0 H1 MET A 1 1.494 0.134 -6.390 1.00 12.30 H new ATOM 0 H2 MET A 1 0.943 1.691 -5.998 1.00 12.30 H new ATOM 0 H3 MET A 1 2.518 1.215 -5.575 1.00 12.30 H new ATOM 0 HA MET A 1 -0.029 0.208 -4.504 1.00 74.44 H new ATOM 0 HB2 MET A 1 1.818 -1.537 -4.920 1.00 3.14 H new ATOM 0 HB3 MET A 1 2.766 -0.682 -3.719 1.00 3.14 H new ATOM 0 HG2 MET A 1 1.356 -1.288 -1.961 1.00 34.11 H new ATOM 0 HG3 MET A 1 -0.028 -1.533 -3.008 1.00 34.11 H new ATOM 0 HE1 MET A 1 -0.187 -5.223 -2.869 1.00 24.42 H new ATOM 0 HE2 MET A 1 -0.690 -3.813 -1.907 1.00 24.42 H new ATOM 0 HE3 MET A 1 -0.854 -3.786 -3.679 1.00 24.42 H new ATOM 18 N GLN A 2 0.922 2.686 -3.607 1.00 24.32 N ATOM 19 CA GLN A 2 1.072 3.768 -2.641 1.00 42.14 C ATOM 20 C GLN A 2 -0.270 4.433 -2.356 1.00 35.41 C ATOM 21 O GLN A 2 -0.835 5.109 -3.216 1.00 5.10 O ATOM 22 CB GLN A 2 2.069 4.807 -3.159 1.00 30.23 C ATOM 23 CG GLN A 2 1.789 5.263 -4.582 1.00 20.24 C ATOM 24 CD GLN A 2 1.787 6.772 -4.721 1.00 4.31 C ATOM 25 OE1 GLN A 2 0.808 7.438 -4.382 1.00 24.43 O ATOM 26 NE2 GLN A 2 2.887 7.322 -5.222 1.00 44.02 N ATOM 0 H GLN A 2 0.556 2.977 -4.514 1.00 24.32 H new ATOM 0 HA GLN A 2 1.451 3.342 -1.712 1.00 42.14 H new ATOM 0 HB2 GLN A 2 2.053 5.674 -2.499 1.00 30.23 H new ATOM 0 HB3 GLN A 2 3.074 4.389 -3.112 1.00 30.23 H new ATOM 0 HG2 GLN A 2 2.541 4.841 -5.249 1.00 20.24 H new ATOM 0 HG3 GLN A 2 0.823 4.871 -4.902 1.00 20.24 H new ATOM 0 HE21 GLN A 2 3.675 6.733 -5.490 1.00 44.02 H new ATOM 0 HE22 GLN A 2 2.944 8.334 -5.339 1.00 44.02 H new ATOM 35 N ARG A 3 -0.777 4.235 -1.143 1.00 70.22 N ATOM 36 CA ARG A 3 -2.054 4.814 -0.745 1.00 75.41 C ATOM 37 C ARG A 3 -2.371 4.484 0.711 1.00 45.11 C ATOM 38 O ARG A 3 -2.053 3.399 1.195 1.00 33.43 O ATOM 39 CB ARG A 3 -3.176 4.300 -1.650 1.00 44.04 C ATOM 40 CG ARG A 3 -4.569 4.580 -1.112 1.00 73.23 C ATOM 41 CD ARG A 3 -4.831 6.073 -0.993 1.00 1.03 C ATOM 42 NE ARG A 3 -5.789 6.542 -1.990 1.00 12.53 N ATOM 43 CZ ARG A 3 -6.499 7.657 -1.859 1.00 12.53 C ATOM 44 NH1 ARG A 3 -6.359 8.414 -0.779 1.00 21.33 N ATOM 45 NH2 ARG A 3 -7.351 8.018 -2.810 1.00 15.44 N ATOM 0 H ARG A 3 -0.323 3.678 -0.419 1.00 70.22 H new ATOM 0 HA ARG A 3 -1.980 5.897 -0.847 1.00 75.41 H new ATOM 0 HB2 ARG A 3 -3.077 4.759 -2.634 1.00 44.04 H new ATOM 0 HB3 ARG A 3 -3.058 3.225 -1.786 1.00 44.04 H new ATOM 0 HG2 ARG A 3 -5.312 4.131 -1.771 1.00 73.23 H new ATOM 0 HG3 ARG A 3 -4.684 4.110 -0.135 1.00 73.23 H new ATOM 0 HD2 ARG A 3 -5.208 6.296 0.005 1.00 1.03 H new ATOM 0 HD3 ARG A 3 -3.893 6.616 -1.108 1.00 1.03 H new ATOM 0 HE ARG A 3 -5.920 5.983 -2.833 1.00 12.53 H new ATOM 0 HH11 ARG A 3 -5.705 8.141 -0.046 1.00 21.33 H new ATOM 0 HH12 ARG A 3 -6.906 9.270 -0.682 1.00 21.33 H new ATOM 0 HH21 ARG A 3 -7.461 7.439 -3.643 1.00 15.44 H new ATOM 0 HH22 ARG A 3 -7.896 8.874 -2.708 1.00 15.44 H new ATOM 59 N GLY A 4 -2.998 5.430 1.404 1.00 64.11 N ATOM 60 CA GLY A 4 -3.345 5.221 2.797 1.00 14.23 C ATOM 61 C GLY A 4 -3.812 6.494 3.475 1.00 12.12 C ATOM 62 O GLY A 4 -3.577 7.594 2.974 1.00 2.13 O ATOM 0 H GLY A 4 -3.272 6.337 1.025 1.00 64.11 H new ATOM 0 HA2 GLY A 4 -4.130 4.468 2.864 1.00 14.23 H new ATOM 0 HA3 GLY A 4 -2.479 4.826 3.329 1.00 14.23 H new ATOM 66 N ILE A 5 -4.477 6.345 4.616 1.00 1.30 N ATOM 67 CA ILE A 5 -4.978 7.492 5.363 1.00 53.44 C ATOM 68 C ILE A 5 -3.834 8.288 5.981 1.00 12.35 C ATOM 69 O ILE A 5 -2.904 7.718 6.551 1.00 23.10 O ATOM 70 CB ILE A 5 -5.949 7.058 6.477 1.00 5.31 C ATOM 71 CG1 ILE A 5 -6.979 6.069 5.929 1.00 12.14 C ATOM 72 CG2 ILE A 5 -6.640 8.272 7.080 1.00 3.21 C ATOM 73 CD1 ILE A 5 -7.979 5.603 6.964 1.00 21.15 C ATOM 0 H ILE A 5 -4.681 5.441 5.043 1.00 1.30 H new ATOM 0 HA ILE A 5 -5.513 8.122 4.652 1.00 53.44 H new ATOM 0 HB ILE A 5 -5.379 6.562 7.262 1.00 5.31 H new ATOM 0 HG12 ILE A 5 -7.515 6.535 5.102 1.00 12.14 H new ATOM 0 HG13 ILE A 5 -6.458 5.202 5.523 1.00 12.14 H new ATOM 0 HG21 ILE A 5 -7.323 7.949 7.866 1.00 3.21 H new ATOM 0 HG22 ILE A 5 -5.893 8.944 7.502 1.00 3.21 H new ATOM 0 HG23 ILE A 5 -7.200 8.794 6.304 1.00 3.21 H new ATOM 0 HD11 ILE A 5 -8.678 4.904 6.505 1.00 21.15 H new ATOM 0 HD12 ILE A 5 -7.454 5.107 7.780 1.00 21.15 H new ATOM 0 HD13 ILE A 5 -8.527 6.461 7.353 1.00 21.15 H new ATOM 85 N VAL A 6 -3.911 9.610 5.867 1.00 3.54 N ATOM 86 CA VAL A 6 -2.883 10.486 6.418 1.00 11.02 C ATOM 87 C VAL A 6 -3.473 11.450 7.442 1.00 72.34 C ATOM 88 O VAL A 6 -4.104 12.444 7.082 1.00 60.45 O ATOM 89 CB VAL A 6 -2.183 11.296 5.311 1.00 71.13 C ATOM 90 CG1 VAL A 6 -0.977 12.034 5.870 1.00 1.44 C ATOM 91 CG2 VAL A 6 -1.776 10.385 4.162 1.00 5.42 C ATOM 0 H VAL A 6 -4.674 10.098 5.398 1.00 3.54 H new ATOM 0 HA VAL A 6 -2.150 9.845 6.907 1.00 11.02 H new ATOM 0 HB VAL A 6 -2.885 12.036 4.927 1.00 71.13 H new ATOM 0 HG11 VAL A 6 -0.496 12.601 5.073 1.00 1.44 H new ATOM 0 HG12 VAL A 6 -1.300 12.716 6.656 1.00 1.44 H new ATOM 0 HG13 VAL A 6 -0.269 11.315 6.282 1.00 1.44 H new ATOM 0 HG21 VAL A 6 -1.283 10.973 3.388 1.00 5.42 H new ATOM 0 HG22 VAL A 6 -1.091 9.621 4.529 1.00 5.42 H new ATOM 0 HG23 VAL A 6 -2.663 9.907 3.745 1.00 5.42 H new ATOM 101 N TRP A 7 -3.263 11.149 8.718 1.00 14.21 N ATOM 102 CA TRP A 7 -3.775 11.990 9.795 1.00 65.11 C ATOM 103 C TRP A 7 -2.661 12.840 10.397 1.00 32.32 C ATOM 104 O TRP A 7 -1.644 12.316 10.852 1.00 12.14 O ATOM 105 CB TRP A 7 -4.419 11.127 10.881 1.00 1.11 C ATOM 106 CG TRP A 7 -5.767 10.597 10.497 1.00 60.24 C ATOM 107 CD1 TRP A 7 -6.376 10.712 9.280 1.00 73.32 C ATOM 108 CD2 TRP A 7 -6.673 9.870 11.334 1.00 2.42 C ATOM 109 NE1 TRP A 7 -7.607 10.100 9.311 1.00 45.34 N ATOM 110 CE2 TRP A 7 -7.812 9.576 10.559 1.00 24.22 C ATOM 111 CE3 TRP A 7 -6.632 9.438 12.663 1.00 51.35 C ATOM 112 CZ2 TRP A 7 -8.898 8.871 11.071 1.00 63.32 C ATOM 113 CZ3 TRP A 7 -7.711 8.739 13.169 1.00 60.12 C ATOM 114 CH2 TRP A 7 -8.831 8.460 12.374 1.00 30.14 C ATOM 0 H TRP A 7 -2.743 10.330 9.033 1.00 14.21 H new ATOM 0 HA TRP A 7 -4.529 12.656 9.376 1.00 65.11 H new ATOM 0 HB2 TRP A 7 -3.759 10.290 11.109 1.00 1.11 H new ATOM 0 HB3 TRP A 7 -4.514 11.715 11.794 1.00 1.11 H new ATOM 0 HD1 TRP A 7 -5.953 11.210 8.420 1.00 73.32 H new ATOM 0 HE1 TRP A 7 -8.261 10.045 8.531 1.00 45.34 H new ATOM 0 HE3 TRP A 7 -5.773 9.647 13.283 1.00 51.35 H new ATOM 0 HZ2 TRP A 7 -9.763 8.656 10.461 1.00 63.32 H new ATOM 0 HZ3 TRP A 7 -7.691 8.402 14.195 1.00 60.12 H new ATOM 0 HH2 TRP A 7 -9.658 7.910 12.799 1.00 30.14 H new ATOM 125 N VAL A 8 -2.860 14.154 10.397 1.00 3.11 N ATOM 126 CA VAL A 8 -1.872 15.076 10.945 1.00 14.51 C ATOM 127 C VAL A 8 -2.525 16.089 11.880 1.00 72.25 C ATOM 128 O VAL A 8 -3.253 16.978 11.438 1.00 4.50 O ATOM 129 CB VAL A 8 -1.128 15.831 9.827 1.00 13.25 C ATOM 130 CG1 VAL A 8 0.059 16.594 10.396 1.00 35.35 C ATOM 131 CG2 VAL A 8 -0.681 14.866 8.740 1.00 2.20 C ATOM 0 H VAL A 8 -3.696 14.604 10.024 1.00 3.11 H new ATOM 0 HA VAL A 8 -1.156 14.476 11.507 1.00 14.51 H new ATOM 0 HB VAL A 8 -1.813 16.553 9.381 1.00 13.25 H new ATOM 0 HG11 VAL A 8 0.572 17.121 9.592 1.00 35.35 H new ATOM 0 HG12 VAL A 8 -0.292 17.314 11.136 1.00 35.35 H new ATOM 0 HG13 VAL A 8 0.748 15.895 10.869 1.00 35.35 H new ATOM 0 HG21 VAL A 8 -0.157 15.416 7.958 1.00 2.20 H new ATOM 0 HG22 VAL A 8 -0.012 14.119 9.169 1.00 2.20 H new ATOM 0 HG23 VAL A 8 -1.553 14.370 8.313 1.00 2.20 H new ATOM 141 N VAL A 9 -2.260 15.948 13.174 1.00 31.54 N ATOM 142 CA VAL A 9 -2.820 16.851 14.172 1.00 33.35 C ATOM 143 C VAL A 9 -1.779 17.856 14.650 1.00 3.21 C ATOM 144 O VAL A 9 -0.787 17.487 15.278 1.00 25.34 O ATOM 145 CB VAL A 9 -3.365 16.076 15.387 1.00 12.43 C ATOM 146 CG1 VAL A 9 -2.252 15.289 16.062 1.00 73.34 C ATOM 147 CG2 VAL A 9 -4.028 17.028 16.372 1.00 41.23 C ATOM 0 H VAL A 9 -1.661 15.217 13.556 1.00 31.54 H new ATOM 0 HA VAL A 9 -3.641 17.384 13.692 1.00 33.35 H new ATOM 0 HB VAL A 9 -4.117 15.369 15.037 1.00 12.43 H new ATOM 0 HG11 VAL A 9 -2.656 14.748 16.918 1.00 73.34 H new ATOM 0 HG12 VAL A 9 -1.826 14.579 15.353 1.00 73.34 H new ATOM 0 HG13 VAL A 9 -1.475 15.975 16.400 1.00 73.34 H new ATOM 0 HG21 VAL A 9 -4.407 16.464 17.224 1.00 41.23 H new ATOM 0 HG22 VAL A 9 -3.298 17.760 16.717 1.00 41.23 H new ATOM 0 HG23 VAL A 9 -4.854 17.543 15.881 1.00 41.23 H new ATOM 157 N ASP A 10 -2.011 19.129 14.348 1.00 32.14 N ATOM 158 CA ASP A 10 -1.094 20.189 14.748 1.00 4.43 C ATOM 159 C ASP A 10 -1.786 21.548 14.715 1.00 12.34 C ATOM 160 O ASP A 10 -2.882 21.684 14.171 1.00 11.52 O ATOM 161 CB ASP A 10 0.131 20.205 13.833 1.00 45.22 C ATOM 162 CG ASP A 10 -0.126 20.943 12.534 1.00 41.41 C ATOM 163 OD1 ASP A 10 -1.268 20.881 12.032 1.00 10.51 O ATOM 164 OD2 ASP A 10 0.815 21.584 12.020 1.00 75.35 O ATOM 0 H ASP A 10 -2.827 19.451 13.827 1.00 32.14 H new ATOM 0 HA ASP A 10 -0.772 19.990 15.770 1.00 4.43 H new ATOM 0 HB2 ASP A 10 0.965 20.674 14.355 1.00 45.22 H new ATOM 0 HB3 ASP A 10 0.429 19.180 13.612 1.00 45.22 H new ATOM 169 N ASP A 11 -1.140 22.550 15.302 1.00 52.03 N ATOM 170 CA ASP A 11 -1.694 23.899 15.340 1.00 63.34 C ATOM 171 C ASP A 11 -0.922 24.829 14.409 1.00 53.12 C ATOM 172 O ASP A 11 -0.063 25.592 14.850 1.00 1.12 O ATOM 173 CB ASP A 11 -1.663 24.446 16.768 1.00 71.53 C ATOM 174 CG ASP A 11 -2.458 25.728 16.914 1.00 44.45 C ATOM 175 OD1 ASP A 11 -3.695 25.647 17.067 1.00 65.44 O ATOM 176 OD2 ASP A 11 -1.842 26.814 16.875 1.00 14.34 O ATOM 0 H ASP A 11 -0.233 22.454 15.758 1.00 52.03 H new ATOM 0 HA ASP A 11 -2.729 23.850 15.000 1.00 63.34 H new ATOM 0 HB2 ASP A 11 -2.061 23.695 17.450 1.00 71.53 H new ATOM 0 HB3 ASP A 11 -0.629 24.627 17.062 1.00 71.53 H new ATOM 181 N ASP A 12 -1.234 24.759 13.119 1.00 14.45 N ATOM 182 CA ASP A 12 -0.571 25.595 12.126 1.00 43.42 C ATOM 183 C ASP A 12 -1.274 25.497 10.776 1.00 61.24 C ATOM 184 O ASP A 12 -1.545 24.401 10.285 1.00 55.24 O ATOM 185 CB ASP A 12 0.896 25.187 11.982 1.00 21.40 C ATOM 186 CG ASP A 12 1.835 26.377 12.016 1.00 33.32 C ATOM 187 OD1 ASP A 12 1.994 27.038 10.968 1.00 32.34 O ATOM 188 OD2 ASP A 12 2.410 26.648 13.091 1.00 74.40 O ATOM 0 H ASP A 12 -1.942 24.132 12.737 1.00 14.45 H new ATOM 0 HA ASP A 12 -0.621 26.629 12.467 1.00 43.42 H new ATOM 0 HB2 ASP A 12 1.159 24.498 12.785 1.00 21.40 H new ATOM 0 HB3 ASP A 12 1.030 24.649 11.043 1.00 21.40 H new ATOM 193 N SER A 13 -1.567 26.649 10.181 1.00 22.11 N ATOM 194 CA SER A 13 -2.243 26.693 8.890 1.00 60.41 C ATOM 195 C SER A 13 -1.272 26.373 7.757 1.00 32.32 C ATOM 196 O SER A 13 -1.663 25.825 6.726 1.00 4.03 O ATOM 197 CB SER A 13 -2.870 28.070 8.665 1.00 35.33 C ATOM 198 OG SER A 13 -4.048 28.226 9.438 1.00 31.31 O ATOM 0 H SER A 13 -1.347 27.565 10.573 1.00 22.11 H new ATOM 0 HA SER A 13 -3.031 25.939 8.895 1.00 60.41 H new ATOM 0 HB2 SER A 13 -2.153 28.847 8.928 1.00 35.33 H new ATOM 0 HB3 SER A 13 -3.105 28.198 7.608 1.00 35.33 H new ATOM 0 HG SER A 13 -4.429 29.115 9.278 1.00 31.31 H new ATOM 204 N SER A 14 -0.005 26.719 7.957 1.00 4.12 N ATOM 205 CA SER A 14 1.023 26.473 6.952 1.00 12.01 C ATOM 206 C SER A 14 1.321 24.981 6.834 1.00 2.51 C ATOM 207 O SER A 14 1.150 24.386 5.770 1.00 21.42 O ATOM 208 CB SER A 14 2.302 27.234 7.303 1.00 4.52 C ATOM 209 OG SER A 14 3.117 27.419 6.158 1.00 34.11 O ATOM 0 H SER A 14 0.335 27.171 8.806 1.00 4.12 H new ATOM 0 HA SER A 14 0.650 26.828 5.992 1.00 12.01 H new ATOM 0 HB2 SER A 14 2.046 28.203 7.731 1.00 4.52 H new ATOM 0 HB3 SER A 14 2.858 26.686 8.064 1.00 4.52 H new ATOM 0 HG SER A 14 3.927 27.909 6.409 1.00 34.11 H new ATOM 215 N ILE A 15 1.768 24.385 7.934 1.00 1.22 N ATOM 216 CA ILE A 15 2.089 22.964 7.955 1.00 24.42 C ATOM 217 C ILE A 15 0.897 22.124 7.511 1.00 34.22 C ATOM 218 O ILE A 15 1.062 21.054 6.924 1.00 54.40 O ATOM 219 CB ILE A 15 2.531 22.507 9.358 1.00 32.12 C ATOM 220 CG1 ILE A 15 3.588 23.460 9.919 1.00 21.25 C ATOM 221 CG2 ILE A 15 3.066 21.084 9.308 1.00 70.41 C ATOM 222 CD1 ILE A 15 4.758 23.681 8.987 1.00 65.21 C ATOM 0 H ILE A 15 1.916 24.864 8.822 1.00 1.22 H new ATOM 0 HA ILE A 15 2.914 22.817 7.257 1.00 24.42 H new ATOM 0 HB ILE A 15 1.665 22.525 10.019 1.00 32.12 H new ATOM 0 HG12 ILE A 15 3.121 24.420 10.136 1.00 21.25 H new ATOM 0 HG13 ILE A 15 3.957 23.064 10.865 1.00 21.25 H new ATOM 0 HG21 ILE A 15 3.374 20.776 10.307 1.00 70.41 H new ATOM 0 HG22 ILE A 15 2.286 20.414 8.946 1.00 70.41 H new ATOM 0 HG23 ILE A 15 3.922 21.041 8.635 1.00 70.41 H new ATOM 0 HD11 ILE A 15 5.467 24.367 9.450 1.00 65.21 H new ATOM 0 HD12 ILE A 15 5.250 22.729 8.789 1.00 65.21 H new ATOM 0 HD13 ILE A 15 4.401 24.107 8.049 1.00 65.21 H new ATOM 234 N ARG A 16 -0.305 22.616 7.794 1.00 1.24 N ATOM 235 CA ARG A 16 -1.526 21.911 7.424 1.00 52.43 C ATOM 236 C ARG A 16 -1.818 22.075 5.935 1.00 63.11 C ATOM 237 O ARG A 16 -2.337 21.164 5.291 1.00 73.24 O ATOM 238 CB ARG A 16 -2.708 22.429 8.246 1.00 72.34 C ATOM 239 CG ARG A 16 -2.885 21.713 9.575 1.00 11.50 C ATOM 240 CD ARG A 16 -4.304 21.193 9.743 1.00 12.54 C ATOM 241 NE ARG A 16 -5.262 22.275 9.956 1.00 1.31 N ATOM 242 CZ ARG A 16 -5.350 22.967 11.087 1.00 44.45 C ATOM 243 NH1 ARG A 16 -4.541 22.692 12.101 1.00 53.13 N ATOM 244 NH2 ARG A 16 -6.247 23.938 11.204 1.00 72.41 N ATOM 0 H ARG A 16 -0.459 23.500 8.278 1.00 1.24 H new ATOM 0 HA ARG A 16 -1.382 20.851 7.634 1.00 52.43 H new ATOM 0 HB2 ARG A 16 -2.571 23.494 8.432 1.00 72.34 H new ATOM 0 HB3 ARG A 16 -3.621 22.322 7.661 1.00 72.34 H new ATOM 0 HG2 ARG A 16 -2.182 20.882 9.638 1.00 11.50 H new ATOM 0 HG3 ARG A 16 -2.647 22.395 10.391 1.00 11.50 H new ATOM 0 HD2 ARG A 16 -4.589 20.625 8.857 1.00 12.54 H new ATOM 0 HD3 ARG A 16 -4.340 20.505 10.588 1.00 12.54 H new ATOM 0 HE ARG A 16 -5.898 22.512 9.195 1.00 1.31 H new ATOM 0 HH11 ARG A 16 -3.849 21.948 12.014 1.00 53.13 H new ATOM 0 HH12 ARG A 16 -4.611 23.225 12.968 1.00 53.13 H new ATOM 0 HH21 ARG A 16 -6.870 24.154 10.425 1.00 72.41 H new ATOM 0 HH22 ARG A 16 -6.314 24.469 12.073 1.00 72.41 H new ATOM 258 N TRP A 17 -1.480 23.241 5.396 1.00 33.11 N ATOM 259 CA TRP A 17 -1.707 23.524 3.983 1.00 25.23 C ATOM 260 C TRP A 17 -0.731 22.744 3.109 1.00 43.10 C ATOM 261 O TRP A 17 -1.140 21.983 2.232 1.00 64.10 O ATOM 262 CB TRP A 17 -1.567 25.023 3.713 1.00 24.14 C ATOM 263 CG TRP A 17 -1.371 25.350 2.264 1.00 72.32 C ATOM 264 CD1 TRP A 17 -2.333 25.385 1.295 1.00 61.22 C ATOM 265 CD2 TRP A 17 -0.137 25.686 1.620 1.00 74.42 C ATOM 266 NE1 TRP A 17 -1.771 25.722 0.087 1.00 52.20 N ATOM 267 CE2 TRP A 17 -0.426 25.913 0.260 1.00 62.22 C ATOM 268 CE3 TRP A 17 1.182 25.819 2.060 1.00 62.53 C ATOM 269 CZ2 TRP A 17 0.558 26.264 -0.661 1.00 20.32 C ATOM 270 CZ3 TRP A 17 2.158 26.167 1.145 1.00 75.53 C ATOM 271 CH2 TRP A 17 1.842 26.387 -0.203 1.00 35.34 C ATOM 0 H TRP A 17 -1.048 24.005 5.915 1.00 33.11 H new ATOM 0 HA TRP A 17 -2.721 23.210 3.733 1.00 25.23 H new ATOM 0 HB2 TRP A 17 -2.458 25.535 4.076 1.00 24.14 H new ATOM 0 HB3 TRP A 17 -0.722 25.410 4.283 1.00 24.14 H new ATOM 0 HD1 TRP A 17 -3.381 25.178 1.455 1.00 61.22 H new ATOM 0 HE1 TRP A 17 -2.274 25.815 -0.795 1.00 52.20 H new ATOM 0 HE3 TRP A 17 1.435 25.653 3.097 1.00 62.53 H new ATOM 0 HZ2 TRP A 17 0.316 26.433 -1.700 1.00 20.32 H new ATOM 0 HZ3 TRP A 17 3.181 26.271 1.474 1.00 75.53 H new ATOM 0 HH2 TRP A 17 2.627 26.659 -0.893 1.00 35.34 H new ATOM 282 N VAL A 18 0.561 22.938 3.353 1.00 4.03 N ATOM 283 CA VAL A 18 1.596 22.251 2.589 1.00 54.44 C ATOM 284 C VAL A 18 1.316 20.755 2.506 1.00 53.01 C ATOM 285 O VAL A 18 1.560 20.122 1.477 1.00 15.55 O ATOM 286 CB VAL A 18 2.989 22.468 3.208 1.00 10.40 C ATOM 287 CG1 VAL A 18 3.549 23.823 2.802 1.00 50.11 C ATOM 288 CG2 VAL A 18 2.924 22.342 4.723 1.00 71.55 C ATOM 0 H VAL A 18 0.916 23.566 4.074 1.00 4.03 H new ATOM 0 HA VAL A 18 1.583 22.676 1.586 1.00 54.44 H new ATOM 0 HB VAL A 18 3.659 21.696 2.830 1.00 10.40 H new ATOM 0 HG11 VAL A 18 4.534 23.958 3.249 1.00 50.11 H new ATOM 0 HG12 VAL A 18 3.633 23.871 1.716 1.00 50.11 H new ATOM 0 HG13 VAL A 18 2.881 24.612 3.149 1.00 50.11 H new ATOM 0 HG21 VAL A 18 3.917 22.498 5.144 1.00 71.55 H new ATOM 0 HG22 VAL A 18 2.239 23.091 5.121 1.00 71.55 H new ATOM 0 HG23 VAL A 18 2.569 21.347 4.990 1.00 71.55 H new ATOM 298 N LEU A 19 0.802 20.194 3.595 1.00 71.01 N ATOM 299 CA LEU A 19 0.487 18.770 3.646 1.00 4.43 C ATOM 300 C LEU A 19 -0.519 18.396 2.563 1.00 30.42 C ATOM 301 O LEU A 19 -0.249 17.539 1.722 1.00 34.45 O ATOM 302 CB LEU A 19 -0.066 18.400 5.023 1.00 32.33 C ATOM 303 CG LEU A 19 0.950 17.867 6.034 1.00 10.42 C ATOM 304 CD1 LEU A 19 0.274 17.568 7.363 1.00 2.24 C ATOM 305 CD2 LEU A 19 1.640 16.624 5.493 1.00 73.33 C ATOM 0 H LEU A 19 0.594 20.703 4.454 1.00 71.01 H new ATOM 0 HA LEU A 19 1.407 18.212 3.469 1.00 4.43 H new ATOM 0 HB2 LEU A 19 -0.544 19.282 5.449 1.00 32.33 H new ATOM 0 HB3 LEU A 19 -0.844 17.649 4.890 1.00 32.33 H new ATOM 0 HG LEU A 19 1.706 18.635 6.199 1.00 10.42 H new ATOM 0 HD11 LEU A 19 1.012 17.190 8.070 1.00 2.24 H new ATOM 0 HD12 LEU A 19 -0.172 18.481 7.758 1.00 2.24 H new ATOM 0 HD13 LEU A 19 -0.504 16.819 7.215 1.00 2.24 H new ATOM 0 HD21 LEU A 19 2.359 16.259 6.226 1.00 73.33 H new ATOM 0 HD22 LEU A 19 0.897 15.851 5.298 1.00 73.33 H new ATOM 0 HD23 LEU A 19 2.159 16.870 4.567 1.00 73.33 H new ATOM 317 N GLU A 20 -1.679 19.045 2.589 1.00 5.45 N ATOM 318 CA GLU A 20 -2.724 18.780 1.608 1.00 13.44 C ATOM 319 C GLU A 20 -2.182 18.905 0.188 1.00 44.04 C ATOM 320 O GLU A 20 -2.536 18.123 -0.694 1.00 73.14 O ATOM 321 CB GLU A 20 -3.895 19.745 1.805 1.00 13.42 C ATOM 322 CG GLU A 20 -5.042 19.517 0.835 1.00 71.31 C ATOM 323 CD GLU A 20 -6.063 20.638 0.864 1.00 62.35 C ATOM 324 OE1 GLU A 20 -6.658 20.872 1.936 1.00 22.00 O ATOM 325 OE2 GLU A 20 -6.266 21.281 -0.188 1.00 11.05 O ATOM 0 H GLU A 20 -1.918 19.758 3.278 1.00 5.45 H new ATOM 0 HA GLU A 20 -3.075 17.759 1.756 1.00 13.44 H new ATOM 0 HB2 GLU A 20 -4.268 19.647 2.825 1.00 13.42 H new ATOM 0 HB3 GLU A 20 -3.535 20.768 1.694 1.00 13.42 H new ATOM 0 HG2 GLU A 20 -4.644 19.419 -0.175 1.00 71.31 H new ATOM 0 HG3 GLU A 20 -5.535 18.575 1.076 1.00 71.31 H new ATOM 332 N ARG A 21 -1.320 19.894 -0.026 1.00 1.13 N ATOM 333 CA ARG A 21 -0.729 20.123 -1.339 1.00 34.01 C ATOM 334 C ARG A 21 -0.025 18.867 -1.845 1.00 15.22 C ATOM 335 O ARG A 21 0.053 18.631 -3.050 1.00 23.32 O ATOM 336 CB ARG A 21 0.261 21.287 -1.280 1.00 43.32 C ATOM 337 CG ARG A 21 -0.228 22.540 -1.989 1.00 33.33 C ATOM 338 CD ARG A 21 0.187 22.551 -3.451 1.00 64.24 C ATOM 339 NE ARG A 21 -0.891 23.007 -4.324 1.00 14.45 N ATOM 340 CZ ARG A 21 -1.194 24.287 -4.510 1.00 44.33 C ATOM 341 NH1 ARG A 21 -0.502 25.233 -3.890 1.00 25.33 N ATOM 342 NH2 ARG A 21 -2.190 24.624 -5.320 1.00 24.21 N ATOM 0 H ARG A 21 -1.015 20.550 0.693 1.00 1.13 H new ATOM 0 HA ARG A 21 -1.532 20.373 -2.033 1.00 34.01 H new ATOM 0 HB2 ARG A 21 0.465 21.527 -0.236 1.00 43.32 H new ATOM 0 HB3 ARG A 21 1.205 20.973 -1.725 1.00 43.32 H new ATOM 0 HG2 ARG A 21 -1.314 22.599 -1.918 1.00 33.33 H new ATOM 0 HG3 ARG A 21 0.173 23.422 -1.489 1.00 33.33 H new ATOM 0 HD2 ARG A 21 1.054 23.200 -3.577 1.00 64.24 H new ATOM 0 HD3 ARG A 21 0.494 21.548 -3.748 1.00 64.24 H new ATOM 0 HE ARG A 21 -1.441 22.304 -4.818 1.00 14.45 H new ATOM 0 HH11 ARG A 21 0.266 24.979 -3.268 1.00 25.33 H new ATOM 0 HH12 ARG A 21 -0.737 26.215 -4.035 1.00 25.33 H new ATOM 0 HH21 ARG A 21 -2.724 23.900 -5.801 1.00 24.21 H new ATOM 0 HH22 ARG A 21 -2.422 25.607 -5.462 1.00 24.21 H new ATOM 356 N ALA A 22 0.485 18.066 -0.915 1.00 51.13 N ATOM 357 CA ALA A 22 1.181 16.834 -1.267 1.00 13.43 C ATOM 358 C ALA A 22 0.206 15.667 -1.381 1.00 42.04 C ATOM 359 O ALA A 22 0.088 15.046 -2.438 1.00 75.42 O ATOM 360 CB ALA A 22 2.259 16.525 -0.238 1.00 53.54 C ATOM 0 H ALA A 22 0.429 18.248 0.087 1.00 51.13 H new ATOM 0 HA ALA A 22 1.652 16.976 -2.239 1.00 13.43 H new ATOM 0 HB1 ALA A 22 2.771 15.603 -0.513 1.00 53.54 H new ATOM 0 HB2 ALA A 22 2.978 17.344 -0.207 1.00 53.54 H new ATOM 0 HB3 ALA A 22 1.801 16.407 0.744 1.00 53.54 H new ATOM 366 N LEU A 23 -0.489 15.373 -0.288 1.00 42.21 N ATOM 367 CA LEU A 23 -1.453 14.279 -0.266 1.00 33.02 C ATOM 368 C LEU A 23 -2.469 14.425 -1.394 1.00 51.32 C ATOM 369 O LEU A 23 -2.612 13.536 -2.233 1.00 41.52 O ATOM 370 CB LEU A 23 -2.175 14.236 1.083 1.00 45.14 C ATOM 371 CG LEU A 23 -1.295 14.418 2.320 1.00 12.32 C ATOM 372 CD1 LEU A 23 -2.122 14.272 3.588 1.00 3.34 C ATOM 373 CD2 LEU A 23 -0.148 13.419 2.311 1.00 22.30 C ATOM 0 H LEU A 23 -0.403 15.877 0.595 1.00 42.21 H new ATOM 0 HA LEU A 23 -0.909 13.346 -0.410 1.00 33.02 H new ATOM 0 HB2 LEU A 23 -2.940 15.013 1.088 1.00 45.14 H new ATOM 0 HB3 LEU A 23 -2.691 13.280 1.166 1.00 45.14 H new ATOM 0 HG LEU A 23 -0.874 15.423 2.298 1.00 12.32 H new ATOM 0 HD11 LEU A 23 -1.480 14.404 4.459 1.00 3.34 H new ATOM 0 HD12 LEU A 23 -2.908 15.027 3.599 1.00 3.34 H new ATOM 0 HD13 LEU A 23 -2.572 13.280 3.617 1.00 3.34 H new ATOM 0 HD21 LEU A 23 0.467 13.564 3.199 1.00 22.30 H new ATOM 0 HD22 LEU A 23 -0.548 12.405 2.308 1.00 22.30 H new ATOM 0 HD23 LEU A 23 0.460 13.571 1.419 1.00 22.30 H new ATOM 385 N ALA A 24 -3.171 15.554 -1.409 1.00 21.20 N ATOM 386 CA ALA A 24 -4.170 15.819 -2.437 1.00 31.53 C ATOM 387 C ALA A 24 -3.555 15.752 -3.830 1.00 72.45 C ATOM 388 O ALA A 24 -4.256 15.539 -4.819 1.00 63.11 O ATOM 389 CB ALA A 24 -4.816 17.177 -2.207 1.00 60.03 C ATOM 0 H ALA A 24 -3.066 16.299 -0.721 1.00 21.20 H new ATOM 0 HA ALA A 24 -4.938 15.048 -2.370 1.00 31.53 H new ATOM 0 HB1 ALA A 24 -5.560 17.362 -2.982 1.00 60.03 H new ATOM 0 HB2 ALA A 24 -5.299 17.189 -1.230 1.00 60.03 H new ATOM 0 HB3 ALA A 24 -4.053 17.954 -2.244 1.00 60.03 H new ATOM 395 N GLY A 25 -2.240 15.935 -3.902 1.00 12.42 N ATOM 396 CA GLY A 25 -1.553 15.893 -5.179 1.00 74.15 C ATOM 397 C GLY A 25 -1.260 14.477 -5.633 1.00 24.30 C ATOM 398 O GLY A 25 -1.536 14.114 -6.776 1.00 30.11 O ATOM 0 H GLY A 25 -1.638 16.112 -3.098 1.00 12.42 H new ATOM 0 HA2 GLY A 25 -2.161 16.394 -5.932 1.00 74.15 H new ATOM 0 HA3 GLY A 25 -0.618 16.448 -5.104 1.00 74.15 H new ATOM 402 N ALA A 26 -0.696 13.675 -4.736 1.00 31.54 N ATOM 403 CA ALA A 26 -0.365 12.290 -5.050 1.00 1.24 C ATOM 404 C ALA A 26 -1.605 11.404 -5.000 1.00 1.13 C ATOM 405 O ALA A 26 -1.580 10.259 -5.449 1.00 53.34 O ATOM 406 CB ALA A 26 0.696 11.771 -4.091 1.00 22.12 C ATOM 0 H ALA A 26 -0.459 13.960 -3.786 1.00 31.54 H new ATOM 0 HA ALA A 26 0.031 12.258 -6.065 1.00 1.24 H new ATOM 0 HB1 ALA A 26 0.934 10.736 -4.337 1.00 22.12 H new ATOM 0 HB2 ALA A 26 1.595 12.381 -4.179 1.00 22.12 H new ATOM 0 HB3 ALA A 26 0.320 11.824 -3.069 1.00 22.12 H new ATOM 412 N GLY A 27 -2.689 11.942 -4.449 1.00 32.44 N ATOM 413 CA GLY A 27 -3.924 11.185 -4.349 1.00 65.04 C ATOM 414 C GLY A 27 -4.184 10.683 -2.943 1.00 55.11 C ATOM 415 O GLY A 27 -5.259 10.156 -2.653 1.00 73.45 O ATOM 0 H GLY A 27 -2.734 12.888 -4.070 1.00 32.44 H new ATOM 0 HA2 GLY A 27 -4.757 11.811 -4.668 1.00 65.04 H new ATOM 0 HA3 GLY A 27 -3.883 10.337 -5.033 1.00 65.04 H new ATOM 419 N LEU A 28 -3.199 10.845 -2.067 1.00 14.03 N ATOM 420 CA LEU A 28 -3.327 10.403 -0.682 1.00 64.24 C ATOM 421 C LEU A 28 -4.464 11.136 0.021 1.00 2.44 C ATOM 422 O LEU A 28 -4.842 12.241 -0.371 1.00 74.42 O ATOM 423 CB LEU A 28 -2.014 10.632 0.069 1.00 33.25 C ATOM 424 CG LEU A 28 -0.748 10.120 -0.619 1.00 13.22 C ATOM 425 CD1 LEU A 28 0.490 10.737 0.014 1.00 34.51 C ATOM 426 CD2 LEU A 28 -0.683 8.601 -0.554 1.00 3.31 C ATOM 0 H LEU A 28 -2.303 11.279 -2.290 1.00 14.03 H new ATOM 0 HA LEU A 28 -3.556 9.337 -0.685 1.00 64.24 H new ATOM 0 HB2 LEU A 28 -1.901 11.702 0.244 1.00 33.25 H new ATOM 0 HB3 LEU A 28 -2.090 10.156 1.046 1.00 33.25 H new ATOM 0 HG LEU A 28 -0.781 10.417 -1.667 1.00 13.22 H new ATOM 0 HD11 LEU A 28 1.381 10.361 -0.488 1.00 34.51 H new ATOM 0 HD12 LEU A 28 0.447 11.822 -0.086 1.00 34.51 H new ATOM 0 HD13 LEU A 28 0.530 10.471 1.070 1.00 34.51 H new ATOM 0 HD21 LEU A 28 0.224 8.254 -1.048 1.00 3.31 H new ATOM 0 HD22 LEU A 28 -0.673 8.282 0.488 1.00 3.31 H new ATOM 0 HD23 LEU A 28 -1.554 8.178 -1.055 1.00 3.31 H new ATOM 438 N THR A 29 -5.005 10.516 1.066 1.00 44.43 N ATOM 439 CA THR A 29 -6.097 11.110 1.825 1.00 15.23 C ATOM 440 C THR A 29 -5.575 12.111 2.849 1.00 11.51 C ATOM 441 O THR A 29 -4.807 11.755 3.743 1.00 4.54 O ATOM 442 CB THR A 29 -6.926 10.034 2.553 1.00 44.23 C ATOM 443 OG1 THR A 29 -7.585 9.195 1.598 1.00 23.21 O ATOM 444 CG2 THR A 29 -7.957 10.674 3.471 1.00 63.45 C ATOM 0 H THR A 29 -4.704 9.602 1.405 1.00 44.43 H new ATOM 0 HA THR A 29 -6.735 11.627 1.108 1.00 15.23 H new ATOM 0 HB THR A 29 -6.248 9.432 3.159 1.00 44.23 H new ATOM 0 HG1 THR A 29 -8.108 8.513 2.068 1.00 23.21 H new ATOM 0 HG21 THR A 29 -8.530 9.895 3.974 1.00 63.45 H new ATOM 0 HG22 THR A 29 -7.450 11.289 4.215 1.00 63.45 H new ATOM 0 HG23 THR A 29 -8.631 11.297 2.883 1.00 63.45 H new ATOM 452 N CYS A 30 -5.997 13.364 2.713 1.00 24.32 N ATOM 453 CA CYS A 30 -5.571 14.417 3.627 1.00 4.45 C ATOM 454 C CYS A 30 -6.632 14.676 4.692 1.00 72.14 C ATOM 455 O CYS A 30 -7.784 14.975 4.376 1.00 74.12 O ATOM 456 CB CYS A 30 -5.281 15.705 2.855 1.00 12.30 C ATOM 457 SG CYS A 30 -4.746 17.085 3.894 1.00 34.02 S ATOM 0 H CYS A 30 -6.633 13.675 1.979 1.00 24.32 H new ATOM 0 HA CYS A 30 -4.658 14.086 4.123 1.00 4.45 H new ATOM 0 HB2 CYS A 30 -4.510 15.504 2.111 1.00 12.30 H new ATOM 0 HB3 CYS A 30 -6.179 16.000 2.312 1.00 12.30 H new ATOM 0 HG CYS A 30 -5.581 18.073 3.766 1.00 34.02 H new ATOM 463 N THR A 31 -6.237 14.557 5.956 1.00 51.35 N ATOM 464 CA THR A 31 -7.155 14.775 7.067 1.00 44.13 C ATOM 465 C THR A 31 -6.448 15.445 8.240 1.00 52.23 C ATOM 466 O THR A 31 -5.311 15.107 8.569 1.00 44.12 O ATOM 467 CB THR A 31 -7.780 13.452 7.547 1.00 63.32 C ATOM 468 OG1 THR A 31 -8.522 12.846 6.482 1.00 24.13 O ATOM 469 CG2 THR A 31 -8.694 13.687 8.740 1.00 72.55 C ATOM 0 H THR A 31 -5.287 14.311 6.236 1.00 51.35 H new ATOM 0 HA THR A 31 -7.946 15.430 6.700 1.00 44.13 H new ATOM 0 HB THR A 31 -6.974 12.785 7.853 1.00 63.32 H new ATOM 0 HG1 THR A 31 -8.915 12.004 6.795 1.00 24.13 H new ATOM 0 HG21 THR A 31 -9.124 12.738 9.061 1.00 72.55 H new ATOM 0 HG22 THR A 31 -8.120 14.121 9.558 1.00 72.55 H new ATOM 0 HG23 THR A 31 -9.494 14.370 8.456 1.00 72.55 H new ATOM 477 N THR A 32 -7.129 16.398 8.869 1.00 35.31 N ATOM 478 CA THR A 32 -6.567 17.116 10.006 1.00 61.23 C ATOM 479 C THR A 32 -7.654 17.513 10.998 1.00 50.02 C ATOM 480 O THR A 32 -8.838 17.267 10.768 1.00 32.51 O ATOM 481 CB THR A 32 -5.813 18.381 9.554 1.00 71.22 C ATOM 482 OG1 THR A 32 -6.642 19.160 8.684 1.00 2.54 O ATOM 483 CG2 THR A 32 -4.522 18.014 8.838 1.00 42.41 C ATOM 0 H THR A 32 -8.071 16.690 8.610 1.00 35.31 H new ATOM 0 HA THR A 32 -5.866 16.438 10.493 1.00 61.23 H new ATOM 0 HB THR A 32 -5.565 18.966 10.440 1.00 71.22 H new ATOM 0 HG1 THR A 32 -6.141 19.389 7.873 1.00 2.54 H new ATOM 0 HG21 THR A 32 -4.007 18.923 8.528 1.00 42.41 H new ATOM 0 HG22 THR A 32 -3.881 17.445 9.512 1.00 42.41 H new ATOM 0 HG23 THR A 32 -4.752 17.410 7.960 1.00 42.41 H new ATOM 491 N PHE A 33 -7.245 18.130 12.101 1.00 23.03 N ATOM 492 CA PHE A 33 -8.185 18.562 13.129 1.00 24.53 C ATOM 493 C PHE A 33 -7.647 19.774 13.883 1.00 11.42 C ATOM 494 O PHE A 33 -8.037 20.909 13.611 1.00 2.41 O ATOM 495 CB PHE A 33 -8.461 17.419 14.109 1.00 13.42 C ATOM 496 CG PHE A 33 -8.984 16.176 13.448 1.00 24.23 C ATOM 497 CD1 PHE A 33 -10.339 16.021 13.207 1.00 70.31 C ATOM 498 CD2 PHE A 33 -8.119 15.162 13.069 1.00 21.30 C ATOM 499 CE1 PHE A 33 -10.823 14.878 12.599 1.00 61.35 C ATOM 500 CE2 PHE A 33 -8.597 14.017 12.460 1.00 21.20 C ATOM 501 CZ PHE A 33 -9.951 13.874 12.226 1.00 44.14 C ATOM 0 H PHE A 33 -6.269 18.342 12.306 1.00 23.03 H new ATOM 0 HA PHE A 33 -9.117 18.845 12.639 1.00 24.53 H new ATOM 0 HB2 PHE A 33 -7.541 17.178 14.642 1.00 13.42 H new ATOM 0 HB3 PHE A 33 -9.182 17.756 14.854 1.00 13.42 H new ATOM 0 HD1 PHE A 33 -11.026 16.802 13.498 1.00 70.31 H new ATOM 0 HD2 PHE A 33 -7.060 15.268 13.251 1.00 21.30 H new ATOM 0 HE1 PHE A 33 -11.882 14.770 12.416 1.00 61.35 H new ATOM 0 HE2 PHE A 33 -7.912 13.235 12.167 1.00 21.20 H new ATOM 0 HZ PHE A 33 -10.327 12.979 11.752 1.00 44.14 H new ATOM 511 N GLU A 34 -6.750 19.524 14.832 1.00 12.31 N ATOM 512 CA GLU A 34 -6.160 20.596 15.626 1.00 34.42 C ATOM 513 C GLU A 34 -5.291 20.028 16.745 1.00 42.34 C ATOM 514 O GLU A 34 -4.073 20.199 16.745 1.00 4.21 O ATOM 515 CB GLU A 34 -7.256 21.484 16.218 1.00 12.32 C ATOM 516 CG GLU A 34 -7.211 22.919 15.720 1.00 12.24 C ATOM 517 CD GLU A 34 -7.555 23.923 16.803 1.00 4.54 C ATOM 518 OE1 GLU A 34 -8.240 23.538 17.773 1.00 34.34 O ATOM 519 OE2 GLU A 34 -7.138 25.094 16.681 1.00 14.32 O ATOM 0 H GLU A 34 -6.416 18.590 15.070 1.00 12.31 H new ATOM 0 HA GLU A 34 -5.531 21.197 14.969 1.00 34.42 H new ATOM 0 HB2 GLU A 34 -8.229 21.055 15.978 1.00 12.32 H new ATOM 0 HB3 GLU A 34 -7.166 21.482 17.304 1.00 12.32 H new ATOM 0 HG2 GLU A 34 -6.215 23.134 15.333 1.00 12.24 H new ATOM 0 HG3 GLU A 34 -7.907 23.033 14.889 1.00 12.24 H new ATOM 526 N ASN A 35 -5.927 19.353 17.696 1.00 32.12 N ATOM 527 CA ASN A 35 -5.213 18.761 18.821 1.00 3.14 C ATOM 528 C ASN A 35 -5.572 17.287 18.979 1.00 33.14 C ATOM 529 O ASN A 35 -6.563 16.815 18.422 1.00 4.42 O ATOM 530 CB ASN A 35 -5.535 19.517 20.112 1.00 53.42 C ATOM 531 CG ASN A 35 -6.959 20.040 20.135 1.00 4.22 C ATOM 532 OD1 ASN A 35 -7.189 21.248 20.082 1.00 41.45 O ATOM 533 ND2 ASN A 35 -7.922 19.130 20.216 1.00 61.31 N ATOM 0 H ASN A 35 -6.936 19.202 17.710 1.00 32.12 H new ATOM 0 HA ASN A 35 -4.144 18.837 18.620 1.00 3.14 H new ATOM 0 HB2 ASN A 35 -5.379 18.857 20.965 1.00 53.42 H new ATOM 0 HB3 ASN A 35 -4.842 20.351 20.224 1.00 53.42 H new ATOM 0 HD21 ASN A 35 -8.899 19.422 20.236 1.00 61.31 H new ATOM 0 HD22 ASN A 35 -7.685 18.139 20.258 1.00 61.31 H new ATOM 540 N GLY A 36 -4.760 16.564 19.744 1.00 22.42 N ATOM 541 CA GLY A 36 -5.009 15.151 19.963 1.00 60.35 C ATOM 542 C GLY A 36 -6.439 14.872 20.379 1.00 35.11 C ATOM 543 O GLY A 36 -6.987 13.814 20.073 1.00 61.41 O ATOM 0 H GLY A 36 -3.934 16.932 20.216 1.00 22.42 H new ATOM 0 HA2 GLY A 36 -4.786 14.600 19.049 1.00 60.35 H new ATOM 0 HA3 GLY A 36 -4.331 14.781 20.732 1.00 60.35 H new ATOM 547 N ASN A 37 -7.046 15.824 21.081 1.00 20.42 N ATOM 548 CA ASN A 37 -8.421 15.674 21.543 1.00 53.13 C ATOM 549 C ASN A 37 -9.338 15.262 20.395 1.00 33.32 C ATOM 550 O ASN A 37 -10.023 14.242 20.471 1.00 12.33 O ATOM 551 CB ASN A 37 -8.918 16.982 22.163 1.00 72.43 C ATOM 552 CG ASN A 37 -9.583 16.767 23.509 1.00 43.20 C ATOM 553 OD1 ASN A 37 -8.957 16.932 24.556 1.00 4.40 O ATOM 554 ND2 ASN A 37 -10.858 16.397 23.487 1.00 42.01 N ATOM 0 H ASN A 37 -6.607 16.707 21.342 1.00 20.42 H new ATOM 0 HA ASN A 37 -8.441 14.890 22.300 1.00 53.13 H new ATOM 0 HB2 ASN A 37 -8.079 17.667 22.281 1.00 72.43 H new ATOM 0 HB3 ASN A 37 -9.625 17.458 21.483 1.00 72.43 H new ATOM 0 HD21 ASN A 37 -11.358 16.238 24.362 1.00 42.01 H new ATOM 0 HD22 ASN A 37 -11.337 16.272 22.595 1.00 42.01 H new ATOM 561 N GLU A 38 -9.345 16.061 19.333 1.00 3.32 N ATOM 562 CA GLU A 38 -10.178 15.779 18.170 1.00 23.12 C ATOM 563 C GLU A 38 -9.841 14.413 17.579 1.00 75.11 C ATOM 564 O GLU A 38 -10.709 13.549 17.449 1.00 12.24 O ATOM 565 CB GLU A 38 -9.995 16.865 17.108 1.00 12.44 C ATOM 566 CG GLU A 38 -11.189 17.797 16.979 1.00 23.13 C ATOM 567 CD GLU A 38 -10.790 19.205 16.581 1.00 24.44 C ATOM 568 OE1 GLU A 38 -9.759 19.695 17.087 1.00 2.12 O ATOM 569 OE2 GLU A 38 -11.509 19.816 15.763 1.00 21.43 O ATOM 0 H GLU A 38 -8.783 16.909 19.254 1.00 3.32 H new ATOM 0 HA GLU A 38 -11.219 15.770 18.494 1.00 23.12 H new ATOM 0 HB2 GLU A 38 -9.110 17.453 17.351 1.00 12.44 H new ATOM 0 HB3 GLU A 38 -9.809 16.391 16.144 1.00 12.44 H new ATOM 0 HG2 GLU A 38 -11.880 17.396 16.237 1.00 23.13 H new ATOM 0 HG3 GLU A 38 -11.724 17.830 17.928 1.00 23.13 H new ATOM 576 N VAL A 39 -8.575 14.225 17.221 1.00 51.01 N ATOM 577 CA VAL A 39 -8.123 12.965 16.644 1.00 63.23 C ATOM 578 C VAL A 39 -8.570 11.780 17.492 1.00 74.20 C ATOM 579 O VAL A 39 -8.818 10.690 16.974 1.00 22.23 O ATOM 580 CB VAL A 39 -6.589 12.931 16.502 1.00 34.22 C ATOM 581 CG1 VAL A 39 -6.098 11.499 16.353 1.00 75.11 C ATOM 582 CG2 VAL A 39 -6.145 13.781 15.322 1.00 4.41 C ATOM 0 H VAL A 39 -7.844 14.929 17.320 1.00 51.01 H new ATOM 0 HA VAL A 39 -8.574 12.890 15.655 1.00 63.23 H new ATOM 0 HB VAL A 39 -6.148 13.348 17.407 1.00 34.22 H new ATOM 0 HG11 VAL A 39 -5.013 11.495 16.254 1.00 75.11 H new ATOM 0 HG12 VAL A 39 -6.384 10.923 17.233 1.00 75.11 H new ATOM 0 HG13 VAL A 39 -6.545 11.052 15.465 1.00 75.11 H new ATOM 0 HG21 VAL A 39 -5.059 13.746 15.236 1.00 4.41 H new ATOM 0 HG22 VAL A 39 -6.594 13.396 14.407 1.00 4.41 H new ATOM 0 HG23 VAL A 39 -6.463 14.812 15.476 1.00 4.41 H new ATOM 592 N LEU A 40 -8.673 12.000 18.798 1.00 20.40 N ATOM 593 CA LEU A 40 -9.092 10.950 19.720 1.00 21.40 C ATOM 594 C LEU A 40 -10.388 10.297 19.250 1.00 52.41 C ATOM 595 O LEU A 40 -10.441 9.088 19.026 1.00 2.52 O ATOM 596 CB LEU A 40 -9.277 11.522 21.126 1.00 3.34 C ATOM 597 CG LEU A 40 -8.930 10.585 22.284 1.00 42.13 C ATOM 598 CD1 LEU A 40 -9.655 9.257 22.131 1.00 14.32 C ATOM 599 CD2 LEU A 40 -7.426 10.367 22.361 1.00 3.21 C ATOM 0 H LEU A 40 -8.472 12.896 19.242 1.00 20.40 H new ATOM 0 HA LEU A 40 -8.311 10.190 19.744 1.00 21.40 H new ATOM 0 HB2 LEU A 40 -8.664 12.419 21.215 1.00 3.34 H new ATOM 0 HB3 LEU A 40 -10.316 11.833 21.236 1.00 3.34 H new ATOM 0 HG LEU A 40 -9.258 11.050 23.214 1.00 42.13 H new ATOM 0 HD11 LEU A 40 -9.396 8.603 22.964 1.00 14.32 H new ATOM 0 HD12 LEU A 40 -10.731 9.429 22.125 1.00 14.32 H new ATOM 0 HD13 LEU A 40 -9.358 8.786 21.194 1.00 14.32 H new ATOM 0 HD21 LEU A 40 -7.197 9.698 23.191 1.00 3.21 H new ATOM 0 HD22 LEU A 40 -7.074 9.923 21.429 1.00 3.21 H new ATOM 0 HD23 LEU A 40 -6.927 11.323 22.518 1.00 3.21 H new ATOM 611 N ALA A 41 -11.431 11.107 19.100 1.00 14.02 N ATOM 612 CA ALA A 41 -12.726 10.610 18.652 1.00 33.44 C ATOM 613 C ALA A 41 -12.588 9.795 17.371 1.00 51.03 C ATOM 614 O ALA A 41 -13.351 8.859 17.134 1.00 51.03 O ATOM 615 CB ALA A 41 -13.692 11.766 18.443 1.00 14.33 C ATOM 0 H ALA A 41 -11.404 12.110 19.282 1.00 14.02 H new ATOM 0 HA ALA A 41 -13.124 9.955 19.427 1.00 33.44 H new ATOM 0 HB1 ALA A 41 -14.655 11.380 18.109 1.00 14.33 H new ATOM 0 HB2 ALA A 41 -13.823 12.305 19.381 1.00 14.33 H new ATOM 0 HB3 ALA A 41 -13.291 12.443 17.689 1.00 14.33 H new ATOM 621 N ALA A 42 -11.610 10.158 16.547 1.00 74.11 N ATOM 622 CA ALA A 42 -11.372 9.460 15.290 1.00 61.41 C ATOM 623 C ALA A 42 -10.526 8.209 15.508 1.00 13.53 C ATOM 624 O ALA A 42 -10.651 7.228 14.775 1.00 24.51 O ATOM 625 CB ALA A 42 -10.697 10.387 14.290 1.00 13.44 C ATOM 0 H ALA A 42 -10.970 10.931 16.728 1.00 74.11 H new ATOM 0 HA ALA A 42 -12.336 9.150 14.888 1.00 61.41 H new ATOM 0 HB1 ALA A 42 -10.526 9.852 13.356 1.00 13.44 H new ATOM 0 HB2 ALA A 42 -11.338 11.248 14.102 1.00 13.44 H new ATOM 0 HB3 ALA A 42 -9.743 10.726 14.694 1.00 13.44 H new ATOM 631 N LEU A 43 -9.666 8.252 16.520 1.00 52.12 N ATOM 632 CA LEU A 43 -8.799 7.122 16.834 1.00 3.25 C ATOM 633 C LEU A 43 -9.605 5.957 17.400 1.00 52.44 C ATOM 634 O LEU A 43 -9.596 4.858 16.848 1.00 70.45 O ATOM 635 CB LEU A 43 -7.721 7.544 17.835 1.00 53.31 C ATOM 636 CG LEU A 43 -6.481 8.214 17.243 1.00 63.14 C ATOM 637 CD1 LEU A 43 -5.584 8.749 18.348 1.00 22.11 C ATOM 638 CD2 LEU A 43 -5.718 7.237 16.360 1.00 44.11 C ATOM 0 H LEU A 43 -9.551 9.056 17.136 1.00 52.12 H new ATOM 0 HA LEU A 43 -8.322 6.795 15.910 1.00 3.25 H new ATOM 0 HB2 LEU A 43 -8.170 8.228 18.555 1.00 53.31 H new ATOM 0 HB3 LEU A 43 -7.403 6.661 18.389 1.00 53.31 H new ATOM 0 HG LEU A 43 -6.804 9.054 16.628 1.00 63.14 H new ATOM 0 HD11 LEU A 43 -4.707 9.222 17.907 1.00 22.11 H new ATOM 0 HD12 LEU A 43 -6.133 9.482 18.940 1.00 22.11 H new ATOM 0 HD13 LEU A 43 -5.268 7.927 18.991 1.00 22.11 H new ATOM 0 HD21 LEU A 43 -4.838 7.731 15.947 1.00 44.11 H new ATOM 0 HD22 LEU A 43 -5.407 6.377 16.953 1.00 44.11 H new ATOM 0 HD23 LEU A 43 -6.362 6.902 15.547 1.00 44.11 H new ATOM 650 N ALA A 44 -10.303 6.208 18.502 1.00 34.43 N ATOM 651 CA ALA A 44 -11.119 5.181 19.140 1.00 42.23 C ATOM 652 C ALA A 44 -12.119 4.584 18.155 1.00 45.31 C ATOM 653 O ALA A 44 -12.563 3.448 18.319 1.00 42.13 O ATOM 654 CB ALA A 44 -11.844 5.757 20.347 1.00 42.21 C ATOM 0 H ALA A 44 -10.320 7.113 18.972 1.00 34.43 H new ATOM 0 HA ALA A 44 -10.457 4.382 19.475 1.00 42.23 H new ATOM 0 HB1 ALA A 44 -12.449 4.979 20.813 1.00 42.21 H new ATOM 0 HB2 ALA A 44 -11.114 6.129 21.066 1.00 42.21 H new ATOM 0 HB3 ALA A 44 -12.489 6.576 20.028 1.00 42.21 H new ATOM 660 N SER A 45 -12.469 5.358 17.132 1.00 21.04 N ATOM 661 CA SER A 45 -13.420 4.907 16.123 1.00 31.04 C ATOM 662 C SER A 45 -12.713 4.126 15.021 1.00 65.55 C ATOM 663 O SER A 45 -13.168 3.058 14.609 1.00 52.54 O ATOM 664 CB SER A 45 -14.163 6.102 15.522 1.00 65.32 C ATOM 665 OG SER A 45 -15.408 6.305 16.166 1.00 11.31 O ATOM 0 H SER A 45 -12.108 6.300 16.980 1.00 21.04 H new ATOM 0 HA SER A 45 -14.140 4.247 16.607 1.00 31.04 H new ATOM 0 HB2 SER A 45 -13.551 6.999 15.616 1.00 65.32 H new ATOM 0 HB3 SER A 45 -14.324 5.936 14.457 1.00 65.32 H new ATOM 0 HG SER A 45 -15.862 7.075 15.765 1.00 11.31 H new ATOM 671 N LYS A 46 -11.595 4.665 14.546 1.00 61.12 N ATOM 672 CA LYS A 46 -10.821 4.020 13.491 1.00 13.05 C ATOM 673 C LYS A 46 -9.341 4.366 13.614 1.00 23.41 C ATOM 674 O LYS A 46 -8.968 5.313 14.307 1.00 34.14 O ATOM 675 CB LYS A 46 -11.343 4.443 12.116 1.00 4.54 C ATOM 676 CG LYS A 46 -11.233 3.355 11.063 1.00 71.12 C ATOM 677 CD LYS A 46 -10.866 3.928 9.704 1.00 11.44 C ATOM 678 CE LYS A 46 -9.464 4.519 9.709 1.00 75.00 C ATOM 679 NZ LYS A 46 -9.489 6.006 9.627 1.00 63.33 N ATOM 0 H LYS A 46 -11.204 5.548 14.875 1.00 61.12 H new ATOM 0 HA LYS A 46 -10.934 2.941 13.599 1.00 13.05 H new ATOM 0 HB2 LYS A 46 -12.387 4.742 12.209 1.00 4.54 H new ATOM 0 HB3 LYS A 46 -10.789 5.319 11.780 1.00 4.54 H new ATOM 0 HG2 LYS A 46 -10.480 2.628 11.367 1.00 71.12 H new ATOM 0 HG3 LYS A 46 -12.181 2.821 10.990 1.00 71.12 H new ATOM 0 HD2 LYS A 46 -10.929 3.145 8.949 1.00 11.44 H new ATOM 0 HD3 LYS A 46 -11.586 4.698 9.426 1.00 11.44 H new ATOM 0 HE2 LYS A 46 -8.944 4.214 10.617 1.00 75.00 H new ATOM 0 HE3 LYS A 46 -8.898 4.118 8.868 1.00 75.00 H new ATOM 0 HZ1 LYS A 46 -8.538 6.357 9.395 1.00 63.33 H new ATOM 0 HZ2 LYS A 46 -10.157 6.302 8.887 1.00 63.33 H new ATOM 0 HZ3 LYS A 46 -9.790 6.399 10.542 1.00 63.33 H new ATOM 693 N THR A 47 -8.499 3.592 12.935 1.00 2.23 N ATOM 694 CA THR A 47 -7.059 3.817 12.968 1.00 72.30 C ATOM 695 C THR A 47 -6.471 3.818 11.562 1.00 62.13 C ATOM 696 O THR A 47 -6.568 2.839 10.821 1.00 11.22 O ATOM 697 CB THR A 47 -6.343 2.745 13.811 1.00 5.21 C ATOM 698 OG1 THR A 47 -6.263 1.517 13.078 1.00 12.55 O ATOM 699 CG2 THR A 47 -7.074 2.512 15.124 1.00 22.44 C ATOM 0 H THR A 47 -8.790 2.804 12.356 1.00 2.23 H new ATOM 0 HA THR A 47 -6.901 4.794 13.425 1.00 72.30 H new ATOM 0 HB THR A 47 -5.337 3.101 14.032 1.00 5.21 H new ATOM 0 HG1 THR A 47 -6.587 1.660 12.164 1.00 12.55 H new ATOM 0 HG21 THR A 47 -6.550 1.751 15.702 1.00 22.44 H new ATOM 0 HG22 THR A 47 -7.106 3.441 15.692 1.00 22.44 H new ATOM 0 HG23 THR A 47 -8.091 2.176 14.920 1.00 22.44 H new ATOM 707 N PRO A 48 -5.844 4.942 11.182 1.00 33.35 N ATOM 708 CA PRO A 48 -5.226 5.096 9.862 1.00 14.52 C ATOM 709 C PRO A 48 -3.981 4.231 9.700 1.00 55.13 C ATOM 710 O PRO A 48 -3.727 3.335 10.505 1.00 12.31 O ATOM 711 CB PRO A 48 -4.856 6.581 9.816 1.00 65.10 C ATOM 712 CG PRO A 48 -4.701 6.977 11.244 1.00 45.23 C ATOM 713 CD PRO A 48 -5.690 6.147 12.014 1.00 54.54 C ATOM 0 HA PRO A 48 -5.894 4.784 9.060 1.00 14.52 H new ATOM 0 HB2 PRO A 48 -3.934 6.742 9.258 1.00 65.10 H new ATOM 0 HB3 PRO A 48 -5.632 7.167 9.325 1.00 65.10 H new ATOM 0 HG2 PRO A 48 -3.684 6.794 11.591 1.00 45.23 H new ATOM 0 HG3 PRO A 48 -4.897 8.041 11.377 1.00 45.23 H new ATOM 0 HD2 PRO A 48 -5.321 5.903 13.010 1.00 54.54 H new ATOM 0 HD3 PRO A 48 -6.638 6.669 12.144 1.00 54.54 H new ATOM 721 N ASP A 49 -3.209 4.505 8.654 1.00 21.43 N ATOM 722 CA ASP A 49 -1.989 3.752 8.387 1.00 21.43 C ATOM 723 C ASP A 49 -0.782 4.427 9.030 1.00 23.04 C ATOM 724 O ASP A 49 0.258 3.800 9.233 1.00 5.52 O ATOM 725 CB ASP A 49 -1.769 3.614 6.880 1.00 61.30 C ATOM 726 CG ASP A 49 -1.319 2.221 6.486 1.00 73.34 C ATOM 727 OD1 ASP A 49 -0.641 1.562 7.302 1.00 12.21 O ATOM 728 OD2 ASP A 49 -1.646 1.788 5.361 1.00 52.53 O ATOM 0 H ASP A 49 -3.406 5.243 7.978 1.00 21.43 H new ATOM 0 HA ASP A 49 -2.102 2.759 8.822 1.00 21.43 H new ATOM 0 HB2 ASP A 49 -2.694 3.855 6.357 1.00 61.30 H new ATOM 0 HB3 ASP A 49 -1.022 4.339 6.557 1.00 61.30 H new ATOM 733 N VAL A 50 -0.927 5.710 9.348 1.00 31.53 N ATOM 734 CA VAL A 50 0.151 6.470 9.968 1.00 0.44 C ATOM 735 C VAL A 50 -0.303 7.883 10.317 1.00 53.43 C ATOM 736 O VAL A 50 -0.969 8.547 9.521 1.00 44.43 O ATOM 737 CB VAL A 50 1.383 6.551 9.047 1.00 13.51 C ATOM 738 CG1 VAL A 50 1.081 7.407 7.826 1.00 70.41 C ATOM 739 CG2 VAL A 50 2.581 7.098 9.808 1.00 64.22 C ATOM 0 H VAL A 50 -1.781 6.244 9.186 1.00 31.53 H new ATOM 0 HA VAL A 50 0.424 5.943 10.882 1.00 0.44 H new ATOM 0 HB VAL A 50 1.627 5.545 8.705 1.00 13.51 H new ATOM 0 HG11 VAL A 50 1.963 7.453 7.187 1.00 70.41 H new ATOM 0 HG12 VAL A 50 0.252 6.968 7.270 1.00 70.41 H new ATOM 0 HG13 VAL A 50 0.811 8.414 8.145 1.00 70.41 H new ATOM 0 HG21 VAL A 50 3.443 7.149 9.142 1.00 64.22 H new ATOM 0 HG22 VAL A 50 2.351 8.096 10.180 1.00 64.22 H new ATOM 0 HG23 VAL A 50 2.809 6.442 10.648 1.00 64.22 H new ATOM 749 N LEU A 51 0.060 8.338 11.511 1.00 42.23 N ATOM 750 CA LEU A 51 -0.309 9.674 11.966 1.00 54.14 C ATOM 751 C LEU A 51 0.872 10.367 12.637 1.00 60.01 C ATOM 752 O LEU A 51 1.701 9.721 13.279 1.00 3.21 O ATOM 753 CB LEU A 51 -1.488 9.595 12.937 1.00 14.41 C ATOM 754 CG LEU A 51 -1.838 10.888 13.675 1.00 45.41 C ATOM 755 CD1 LEU A 51 -3.332 10.960 13.949 1.00 24.54 C ATOM 756 CD2 LEU A 51 -1.049 10.991 14.973 1.00 55.44 C ATOM 0 H LEU A 51 0.610 7.801 12.182 1.00 42.23 H new ATOM 0 HA LEU A 51 -0.602 10.260 11.095 1.00 54.14 H new ATOM 0 HB2 LEU A 51 -2.368 9.267 12.383 1.00 14.41 H new ATOM 0 HB3 LEU A 51 -1.272 8.825 13.677 1.00 14.41 H new ATOM 0 HG LEU A 51 -1.566 11.731 13.040 1.00 45.41 H new ATOM 0 HD11 LEU A 51 -3.561 11.887 14.475 1.00 24.54 H new ATOM 0 HD12 LEU A 51 -3.877 10.934 13.005 1.00 24.54 H new ATOM 0 HD13 LEU A 51 -3.630 10.111 14.564 1.00 24.54 H new ATOM 0 HD21 LEU A 51 -1.310 11.917 15.485 1.00 55.44 H new ATOM 0 HD22 LEU A 51 -1.289 10.142 15.613 1.00 55.44 H new ATOM 0 HD23 LEU A 51 0.018 10.988 14.751 1.00 55.44 H new ATOM 768 N LEU A 52 0.942 11.685 12.486 1.00 33.01 N ATOM 769 CA LEU A 52 2.021 12.467 13.080 1.00 54.03 C ATOM 770 C LEU A 52 1.483 13.411 14.151 1.00 64.12 C ATOM 771 O LEU A 52 0.724 14.333 13.855 1.00 15.02 O ATOM 772 CB LEU A 52 2.752 13.266 12.000 1.00 53.34 C ATOM 773 CG LEU A 52 2.939 12.562 10.655 1.00 2.42 C ATOM 774 CD1 LEU A 52 1.732 12.793 9.759 1.00 22.31 C ATOM 775 CD2 LEU A 52 4.212 13.045 9.974 1.00 75.44 C ATOM 0 H LEU A 52 0.265 12.235 11.957 1.00 33.01 H new ATOM 0 HA LEU A 52 2.722 11.777 13.549 1.00 54.03 H new ATOM 0 HB2 LEU A 52 2.205 14.193 11.829 1.00 53.34 H new ATOM 0 HB3 LEU A 52 3.735 13.542 12.383 1.00 53.34 H new ATOM 0 HG LEU A 52 3.031 11.491 10.836 1.00 2.42 H new ATOM 0 HD11 LEU A 52 1.883 12.285 8.807 1.00 22.31 H new ATOM 0 HD12 LEU A 52 0.839 12.398 10.243 1.00 22.31 H new ATOM 0 HD13 LEU A 52 1.608 13.862 9.584 1.00 22.31 H new ATOM 0 HD21 LEU A 52 4.330 12.534 9.018 1.00 75.44 H new ATOM 0 HD22 LEU A 52 4.149 14.120 9.805 1.00 75.44 H new ATOM 0 HD23 LEU A 52 5.070 12.827 10.610 1.00 75.44 H new ATOM 787 N SER A 53 1.885 13.175 15.396 1.00 42.04 N ATOM 788 CA SER A 53 1.443 14.003 16.511 1.00 10.24 C ATOM 789 C SER A 53 2.483 15.070 16.842 1.00 74.22 C ATOM 790 O SER A 53 3.642 14.968 16.440 1.00 52.14 O ATOM 791 CB SER A 53 1.176 13.136 17.743 1.00 2.03 C ATOM 792 OG SER A 53 2.334 13.032 18.554 1.00 15.54 O ATOM 0 H SER A 53 2.516 12.417 15.657 1.00 42.04 H new ATOM 0 HA SER A 53 0.518 14.500 16.218 1.00 10.24 H new ATOM 0 HB2 SER A 53 0.359 13.565 18.323 1.00 2.03 H new ATOM 0 HB3 SER A 53 0.857 12.142 17.430 1.00 2.03 H new ATOM 0 HG SER A 53 2.137 12.474 19.335 1.00 15.54 H new ATOM 798 N ASP A 54 2.059 16.092 17.577 1.00 50.13 N ATOM 799 CA ASP A 54 2.952 17.178 17.963 1.00 2.10 C ATOM 800 C ASP A 54 2.819 17.488 19.451 1.00 64.22 C ATOM 801 O ASP A 54 1.723 17.440 20.009 1.00 11.31 O ATOM 802 CB ASP A 54 2.652 18.432 17.140 1.00 73.53 C ATOM 803 CG ASP A 54 3.213 19.689 17.774 1.00 50.13 C ATOM 804 OD1 ASP A 54 4.376 20.035 17.478 1.00 61.13 O ATOM 805 OD2 ASP A 54 2.489 20.328 18.565 1.00 32.23 O ATOM 0 H ASP A 54 1.103 16.191 17.917 1.00 50.13 H new ATOM 0 HA ASP A 54 3.976 16.860 17.766 1.00 2.10 H new ATOM 0 HB2 ASP A 54 3.070 18.315 16.140 1.00 73.53 H new ATOM 0 HB3 ASP A 54 1.573 18.537 17.024 1.00 73.53 H new ATOM 810 N ILE A 55 3.943 17.804 20.087 1.00 75.52 N ATOM 811 CA ILE A 55 3.951 18.121 21.509 1.00 20.34 C ATOM 812 C ILE A 55 4.249 19.598 21.741 1.00 14.25 C ATOM 813 O ILE A 55 5.195 19.948 22.447 1.00 61.12 O ATOM 814 CB ILE A 55 4.989 17.274 22.269 1.00 65.02 C ATOM 815 CG1 ILE A 55 6.331 17.294 21.534 1.00 64.40 C ATOM 816 CG2 ILE A 55 4.490 15.846 22.434 1.00 44.35 C ATOM 817 CD1 ILE A 55 6.480 16.184 20.517 1.00 74.12 C ATOM 0 H ILE A 55 4.859 17.847 19.640 1.00 75.52 H new ATOM 0 HA ILE A 55 2.956 17.889 21.889 1.00 20.34 H new ATOM 0 HB ILE A 55 5.132 17.704 23.260 1.00 65.02 H new ATOM 0 HG12 ILE A 55 6.446 18.254 21.031 1.00 64.40 H new ATOM 0 HG13 ILE A 55 7.137 17.218 22.264 1.00 64.40 H new ATOM 0 HG21 ILE A 55 5.235 15.260 22.973 1.00 44.35 H new ATOM 0 HG22 ILE A 55 3.556 15.850 22.995 1.00 44.35 H new ATOM 0 HG23 ILE A 55 4.322 15.404 21.452 1.00 44.35 H new ATOM 0 HD11 ILE A 55 7.455 16.260 20.035 1.00 74.12 H new ATOM 0 HD12 ILE A 55 6.397 15.219 21.017 1.00 74.12 H new ATOM 0 HD13 ILE A 55 5.696 16.272 19.765 1.00 74.12 H new ATOM 829 N ARG A 56 3.433 20.461 21.145 1.00 50.23 N ATOM 830 CA ARG A 56 3.608 21.902 21.287 1.00 63.42 C ATOM 831 C ARG A 56 2.469 22.657 20.609 1.00 41.40 C ATOM 832 O ARG A 56 2.662 23.291 19.572 1.00 42.10 O ATOM 833 CB ARG A 56 4.948 22.335 20.690 1.00 44.12 C ATOM 834 CG ARG A 56 5.253 23.811 20.885 1.00 51.42 C ATOM 835 CD ARG A 56 6.396 24.267 19.991 1.00 54.20 C ATOM 836 NE ARG A 56 5.997 24.342 18.588 1.00 31.10 N ATOM 837 CZ ARG A 56 5.283 25.340 18.079 1.00 34.41 C ATOM 838 NH1 ARG A 56 4.891 26.342 18.854 1.00 21.41 N ATOM 839 NH2 ARG A 56 4.959 25.336 16.792 1.00 11.43 N ATOM 0 H ARG A 56 2.644 20.188 20.559 1.00 50.23 H new ATOM 0 HA ARG A 56 3.597 22.142 22.350 1.00 63.42 H new ATOM 0 HB2 ARG A 56 5.745 21.745 21.142 1.00 44.12 H new ATOM 0 HB3 ARG A 56 4.951 22.110 19.623 1.00 44.12 H new ATOM 0 HG2 ARG A 56 4.362 24.400 20.667 1.00 51.42 H new ATOM 0 HG3 ARG A 56 5.510 23.996 21.928 1.00 51.42 H new ATOM 0 HD2 ARG A 56 6.746 25.245 20.321 1.00 54.20 H new ATOM 0 HD3 ARG A 56 7.234 23.577 20.093 1.00 54.20 H new ATOM 0 HE ARG A 56 6.282 23.587 17.965 1.00 31.10 H new ATOM 0 HH11 ARG A 56 5.138 26.348 19.844 1.00 21.41 H new ATOM 0 HH12 ARG A 56 4.343 27.107 18.460 1.00 21.41 H new ATOM 0 HH21 ARG A 56 5.258 24.566 16.193 1.00 11.43 H new ATOM 0 HH22 ARG A 56 4.411 26.103 16.402 1.00 11.43 H new ATOM 853 N MET A 57 1.282 22.585 21.202 1.00 21.43 N ATOM 854 CA MET A 57 0.112 23.263 20.656 1.00 62.41 C ATOM 855 C MET A 57 -0.787 23.782 21.774 1.00 64.13 C ATOM 856 O MET A 57 -0.739 23.311 22.910 1.00 34.22 O ATOM 857 CB MET A 57 -0.676 22.315 19.750 1.00 34.33 C ATOM 858 CG MET A 57 -0.743 20.889 20.274 1.00 41.13 C ATOM 859 SD MET A 57 -1.584 19.770 19.137 1.00 0.40 S ATOM 860 CE MET A 57 -1.069 18.181 19.783 1.00 41.21 C ATOM 0 H MET A 57 1.105 22.064 22.061 1.00 21.43 H new ATOM 0 HA MET A 57 0.457 24.113 20.068 1.00 62.41 H new ATOM 0 HB2 MET A 57 -1.690 22.698 19.631 1.00 34.33 H new ATOM 0 HB3 MET A 57 -0.220 22.309 18.760 1.00 34.33 H new ATOM 0 HG2 MET A 57 0.268 20.525 20.455 1.00 41.13 H new ATOM 0 HG3 MET A 57 -1.260 20.882 21.233 1.00 41.13 H new ATOM 0 HE1 MET A 57 -0.590 17.605 18.992 1.00 41.21 H new ATOM 0 HE2 MET A 57 -0.364 18.332 20.600 1.00 41.21 H new ATOM 0 HE3 MET A 57 -1.940 17.638 20.151 1.00 41.21 H new ATOM 870 N PRO A 58 -1.625 24.776 21.446 1.00 34.02 N ATOM 871 CA PRO A 58 -2.551 25.380 22.409 1.00 1.31 C ATOM 872 C PRO A 58 -3.676 24.430 22.807 1.00 44.53 C ATOM 873 O PRO A 58 -4.156 24.461 23.939 1.00 51.22 O ATOM 874 CB PRO A 58 -3.112 26.587 21.652 1.00 32.35 C ATOM 875 CG PRO A 58 -2.978 26.227 20.213 1.00 3.10 C ATOM 876 CD PRO A 58 -1.735 25.386 20.111 1.00 53.24 C ATOM 0 HA PRO A 58 -2.055 25.639 23.344 1.00 1.31 H new ATOM 0 HB2 PRO A 58 -4.152 26.773 21.918 1.00 32.35 H new ATOM 0 HB3 PRO A 58 -2.556 27.495 21.886 1.00 32.35 H new ATOM 0 HG2 PRO A 58 -3.852 25.676 19.866 1.00 3.10 H new ATOM 0 HG3 PRO A 58 -2.897 27.120 19.593 1.00 3.10 H new ATOM 0 HD2 PRO A 58 -1.824 24.631 19.330 1.00 53.24 H new ATOM 0 HD3 PRO A 58 -0.860 25.990 19.872 1.00 53.24 H new ATOM 884 N GLY A 59 -4.091 23.586 21.867 1.00 11.22 N ATOM 885 CA GLY A 59 -5.156 22.639 22.140 1.00 73.13 C ATOM 886 C GLY A 59 -4.900 21.823 23.391 1.00 15.13 C ATOM 887 O GLY A 59 -5.383 22.164 24.471 1.00 24.52 O ATOM 0 H GLY A 59 -3.709 23.541 20.922 1.00 11.22 H new ATOM 0 HA2 GLY A 59 -6.098 23.177 22.248 1.00 73.13 H new ATOM 0 HA3 GLY A 59 -5.268 21.968 21.289 1.00 73.13 H new ATOM 891 N MET A 60 -4.141 20.742 23.246 1.00 11.13 N ATOM 892 CA MET A 60 -3.823 19.875 24.375 1.00 41.11 C ATOM 893 C MET A 60 -2.336 19.537 24.398 1.00 23.22 C ATOM 894 O MET A 60 -1.560 20.158 25.125 1.00 64.33 O ATOM 895 CB MET A 60 -4.649 18.589 24.307 1.00 54.52 C ATOM 896 CG MET A 60 -4.240 17.549 25.337 1.00 75.13 C ATOM 897 SD MET A 60 -5.526 16.318 25.629 1.00 43.51 S ATOM 898 CE MET A 60 -6.030 15.950 23.950 1.00 11.51 C ATOM 0 H MET A 60 -3.735 20.445 22.359 1.00 11.13 H new ATOM 0 HA MET A 60 -4.071 20.409 25.292 1.00 41.11 H new ATOM 0 HB2 MET A 60 -5.701 18.835 24.449 1.00 54.52 H new ATOM 0 HB3 MET A 60 -4.554 18.158 23.310 1.00 54.52 H new ATOM 0 HG2 MET A 60 -3.332 17.048 25.001 1.00 75.13 H new ATOM 0 HG3 MET A 60 -4.000 18.048 26.276 1.00 75.13 H new ATOM 0 HE1 MET A 60 -6.732 15.116 23.955 1.00 11.51 H new ATOM 0 HE2 MET A 60 -6.511 16.826 23.514 1.00 11.51 H new ATOM 0 HE3 MET A 60 -5.155 15.684 23.357 1.00 11.51 H new ATOM 908 N ASP A 61 -1.946 18.549 23.600 1.00 42.33 N ATOM 909 CA ASP A 61 -0.551 18.129 23.528 1.00 11.24 C ATOM 910 C ASP A 61 -0.400 16.895 22.645 1.00 20.41 C ATOM 911 O ASP A 61 -1.370 16.415 22.059 1.00 1.44 O ATOM 912 CB ASP A 61 -0.012 17.838 24.930 1.00 44.13 C ATOM 913 CG ASP A 61 0.928 18.920 25.425 1.00 51.14 C ATOM 914 OD1 ASP A 61 1.677 19.480 24.597 1.00 40.12 O ATOM 915 OD2 ASP A 61 0.914 19.207 26.640 1.00 55.44 O ATOM 0 H ASP A 61 -2.576 18.024 22.994 1.00 42.33 H new ATOM 0 HA ASP A 61 0.026 18.942 23.086 1.00 11.24 H new ATOM 0 HB2 ASP A 61 -0.847 17.741 25.624 1.00 44.13 H new ATOM 0 HB3 ASP A 61 0.511 16.882 24.924 1.00 44.13 H new ATOM 920 N GLY A 62 0.825 16.385 22.553 1.00 33.13 N ATOM 921 CA GLY A 62 1.081 15.212 21.739 1.00 73.44 C ATOM 922 C GLY A 62 1.257 13.956 22.569 1.00 1.14 C ATOM 923 O GLY A 62 1.376 12.856 22.028 1.00 30.01 O ATOM 0 H GLY A 62 1.644 16.764 23.028 1.00 33.13 H new ATOM 0 HA2 GLY A 62 0.255 15.070 21.042 1.00 73.44 H new ATOM 0 HA3 GLY A 62 1.977 15.377 21.141 1.00 73.44 H new ATOM 927 N LEU A 63 1.276 14.119 23.888 1.00 61.14 N ATOM 928 CA LEU A 63 1.441 12.989 24.796 1.00 42.23 C ATOM 929 C LEU A 63 0.104 12.305 25.062 1.00 63.41 C ATOM 930 O LEU A 63 0.013 11.077 25.060 1.00 1.44 O ATOM 931 CB LEU A 63 2.060 13.456 26.115 1.00 73.23 C ATOM 932 CG LEU A 63 3.555 13.773 26.080 1.00 62.33 C ATOM 933 CD1 LEU A 63 3.979 14.488 27.353 1.00 22.21 C ATOM 934 CD2 LEU A 63 4.366 12.500 25.886 1.00 73.54 C ATOM 0 H LEU A 63 1.179 15.022 24.352 1.00 61.14 H new ATOM 0 HA LEU A 63 2.109 12.269 24.323 1.00 42.23 H new ATOM 0 HB2 LEU A 63 1.528 14.347 26.447 1.00 73.23 H new ATOM 0 HB3 LEU A 63 1.890 12.685 26.866 1.00 73.23 H new ATOM 0 HG LEU A 63 3.747 14.434 25.235 1.00 62.33 H new ATOM 0 HD11 LEU A 63 5.046 14.705 27.310 1.00 22.21 H new ATOM 0 HD12 LEU A 63 3.422 15.420 27.449 1.00 22.21 H new ATOM 0 HD13 LEU A 63 3.773 13.852 28.214 1.00 22.21 H new ATOM 0 HD21 LEU A 63 5.428 12.745 25.864 1.00 73.54 H new ATOM 0 HD22 LEU A 63 4.169 11.814 26.710 1.00 73.54 H new ATOM 0 HD23 LEU A 63 4.083 12.028 24.945 1.00 73.54 H new ATOM 946 N ALA A 64 -0.931 13.107 25.288 1.00 23.10 N ATOM 947 CA ALA A 64 -2.264 12.579 25.551 1.00 25.43 C ATOM 948 C ALA A 64 -2.753 11.720 24.390 1.00 51.32 C ATOM 949 O ALA A 64 -3.517 10.774 24.583 1.00 71.51 O ATOM 950 CB ALA A 64 -3.239 13.716 25.818 1.00 62.34 C ATOM 0 H ALA A 64 -0.872 14.125 25.294 1.00 23.10 H new ATOM 0 HA ALA A 64 -2.210 11.947 26.438 1.00 25.43 H new ATOM 0 HB1 ALA A 64 -4.230 13.307 26.013 1.00 62.34 H new ATOM 0 HB2 ALA A 64 -2.905 14.286 26.685 1.00 62.34 H new ATOM 0 HB3 ALA A 64 -3.281 14.371 24.948 1.00 62.34 H new ATOM 956 N LEU A 65 -2.310 12.057 23.184 1.00 63.13 N ATOM 957 CA LEU A 65 -2.703 11.317 21.990 1.00 74.13 C ATOM 958 C LEU A 65 -1.791 10.114 21.769 1.00 55.30 C ATOM 959 O LEU A 65 -2.262 8.995 21.563 1.00 65.42 O ATOM 960 CB LEU A 65 -2.667 12.231 20.764 1.00 43.11 C ATOM 961 CG LEU A 65 -3.421 11.732 19.531 1.00 31.52 C ATOM 962 CD1 LEU A 65 -4.923 11.842 19.743 1.00 0.14 C ATOM 963 CD2 LEU A 65 -2.997 12.510 18.294 1.00 23.04 C ATOM 0 H LEU A 65 -1.678 12.838 23.007 1.00 63.13 H new ATOM 0 HA LEU A 65 -3.721 10.955 22.136 1.00 74.13 H new ATOM 0 HB2 LEU A 65 -3.076 13.201 21.047 1.00 43.11 H new ATOM 0 HB3 LEU A 65 -1.625 12.393 20.487 1.00 43.11 H new ATOM 0 HG LEU A 65 -3.172 10.682 19.378 1.00 31.52 H new ATOM 0 HD11 LEU A 65 -5.443 11.482 18.855 1.00 0.14 H new ATOM 0 HD12 LEU A 65 -5.214 11.239 20.603 1.00 0.14 H new ATOM 0 HD13 LEU A 65 -5.190 12.883 19.923 1.00 0.14 H new ATOM 0 HD21 LEU A 65 -3.544 12.141 17.427 1.00 23.04 H new ATOM 0 HD22 LEU A 65 -3.215 13.568 18.437 1.00 23.04 H new ATOM 0 HD23 LEU A 65 -1.927 12.379 18.131 1.00 23.04 H new ATOM 975 N LEU A 66 -0.485 10.353 21.816 1.00 74.55 N ATOM 976 CA LEU A 66 0.494 9.288 21.623 1.00 53.41 C ATOM 977 C LEU A 66 0.282 8.165 22.633 1.00 65.24 C ATOM 978 O LEU A 66 0.645 7.015 22.383 1.00 31.22 O ATOM 979 CB LEU A 66 1.913 9.845 21.752 1.00 72.15 C ATOM 980 CG LEU A 66 3.048 8.865 21.450 1.00 13.51 C ATOM 981 CD1 LEU A 66 3.179 8.646 19.951 1.00 31.40 C ATOM 982 CD2 LEU A 66 4.359 9.372 22.033 1.00 14.34 C ATOM 0 H LEU A 66 -0.080 11.273 21.986 1.00 74.55 H new ATOM 0 HA LEU A 66 0.360 8.880 20.621 1.00 53.41 H new ATOM 0 HB2 LEU A 66 2.009 10.699 21.082 1.00 72.15 H new ATOM 0 HB3 LEU A 66 2.044 10.220 22.767 1.00 72.15 H new ATOM 0 HG LEU A 66 2.811 7.909 21.917 1.00 13.51 H new ATOM 0 HD11 LEU A 66 3.991 7.946 19.755 1.00 31.40 H new ATOM 0 HD12 LEU A 66 2.247 8.238 19.560 1.00 31.40 H new ATOM 0 HD13 LEU A 66 3.393 9.596 19.462 1.00 31.40 H new ATOM 0 HD21 LEU A 66 5.155 8.662 21.809 1.00 14.34 H new ATOM 0 HD22 LEU A 66 4.602 10.340 21.595 1.00 14.34 H new ATOM 0 HD23 LEU A 66 4.260 9.477 23.113 1.00 14.34 H new ATOM 994 N LYS A 67 -0.308 8.505 23.773 1.00 33.41 N ATOM 995 CA LYS A 67 -0.572 7.525 24.820 1.00 31.13 C ATOM 996 C LYS A 67 -1.652 6.540 24.384 1.00 32.13 C ATOM 997 O LYS A 67 -1.775 5.452 24.946 1.00 61.10 O ATOM 998 CB LYS A 67 -1.000 8.229 26.110 1.00 23.00 C ATOM 999 CG LYS A 67 -1.368 7.273 27.232 1.00 44.14 C ATOM 1000 CD LYS A 67 -1.489 7.996 28.563 1.00 72.33 C ATOM 1001 CE LYS A 67 -2.544 7.354 29.451 1.00 22.21 C ATOM 1002 NZ LYS A 67 -2.121 6.009 29.931 1.00 2.24 N ATOM 0 H LYS A 67 -0.613 9.452 23.996 1.00 33.41 H new ATOM 0 HA LYS A 67 0.348 6.970 25.004 1.00 31.13 H new ATOM 0 HB2 LYS A 67 -0.190 8.876 26.447 1.00 23.00 H new ATOM 0 HB3 LYS A 67 -1.854 8.872 25.897 1.00 23.00 H new ATOM 0 HG2 LYS A 67 -2.312 6.781 26.997 1.00 44.14 H new ATOM 0 HG3 LYS A 67 -0.612 6.492 27.309 1.00 44.14 H new ATOM 0 HD2 LYS A 67 -0.526 7.985 29.074 1.00 72.33 H new ATOM 0 HD3 LYS A 67 -1.745 9.041 28.389 1.00 72.33 H new ATOM 0 HE2 LYS A 67 -2.740 8.000 30.307 1.00 22.21 H new ATOM 0 HE3 LYS A 67 -3.479 7.265 28.898 1.00 22.21 H new ATOM 0 HZ1 LYS A 67 -2.867 5.605 30.533 1.00 2.24 H new ATOM 0 HZ2 LYS A 67 -1.958 5.385 29.115 1.00 2.24 H new ATOM 0 HZ3 LYS A 67 -1.242 6.097 30.481 1.00 2.24 H new ATOM 1016 N GLN A 68 -2.431 6.929 23.380 1.00 63.23 N ATOM 1017 CA GLN A 68 -3.499 6.079 22.869 1.00 75.41 C ATOM 1018 C GLN A 68 -2.973 5.126 21.800 1.00 35.14 C ATOM 1019 O GLN A 68 -3.211 3.919 21.860 1.00 52.10 O ATOM 1020 CB GLN A 68 -4.630 6.934 22.294 1.00 1.23 C ATOM 1021 CG GLN A 68 -5.810 7.097 23.239 1.00 60.23 C ATOM 1022 CD GLN A 68 -7.144 6.899 22.546 1.00 43.35 C ATOM 1023 OE1 GLN A 68 -7.291 7.490 21.366 1.00 71.13 O flip ATOM 1024 NE2 GLN A 68 -8.032 6.223 23.065 1.00 52.34 N flip ATOM 0 H GLN A 68 -2.342 7.827 22.905 1.00 63.23 H new ATOM 0 HA GLN A 68 -3.886 5.488 23.699 1.00 75.41 H new ATOM 0 HB2 GLN A 68 -4.238 7.919 22.043 1.00 1.23 H new ATOM 0 HB3 GLN A 68 -4.979 6.483 21.365 1.00 1.23 H new ATOM 0 HG2 GLN A 68 -5.719 6.380 24.055 1.00 60.23 H new ATOM 0 HG3 GLN A 68 -5.780 8.092 23.684 1.00 60.23 H new ATOM 0 HE21 GLN A 68 -7.876 5.787 23.974 1.00 52.34 H new ATOM 0 HE22 GLN A 68 -8.924 6.099 22.586 1.00 52.34 H new ATOM 1033 N ILE A 69 -2.259 5.676 20.825 1.00 62.35 N ATOM 1034 CA ILE A 69 -1.699 4.874 19.743 1.00 0.15 C ATOM 1035 C ILE A 69 -0.601 3.949 20.257 1.00 71.30 C ATOM 1036 O ILE A 69 -0.313 2.914 19.655 1.00 54.23 O ATOM 1037 CB ILE A 69 -1.124 5.762 18.624 1.00 75.23 C ATOM 1038 CG1 ILE A 69 -0.227 6.851 19.216 1.00 74.31 C ATOM 1039 CG2 ILE A 69 -2.250 6.381 17.808 1.00 20.43 C ATOM 1040 CD1 ILE A 69 0.581 7.598 18.178 1.00 24.35 C ATOM 0 H ILE A 69 -2.054 6.673 20.761 1.00 62.35 H new ATOM 0 HA ILE A 69 -2.515 4.276 19.338 1.00 0.15 H new ATOM 0 HB ILE A 69 -0.520 5.141 17.962 1.00 75.23 H new ATOM 0 HG12 ILE A 69 -0.846 7.562 19.764 1.00 74.31 H new ATOM 0 HG13 ILE A 69 0.453 6.398 19.937 1.00 74.31 H new ATOM 0 HG21 ILE A 69 -1.828 7.006 17.021 1.00 20.43 H new ATOM 0 HG22 ILE A 69 -2.852 5.590 17.360 1.00 20.43 H new ATOM 0 HG23 ILE A 69 -2.878 6.991 18.458 1.00 20.43 H new ATOM 0 HD11 ILE A 69 1.193 8.354 18.669 1.00 24.35 H new ATOM 0 HD12 ILE A 69 1.226 6.898 17.646 1.00 24.35 H new ATOM 0 HD13 ILE A 69 -0.093 8.080 17.470 1.00 24.35 H new ATOM 1052 N LYS A 70 0.009 4.327 21.375 1.00 34.23 N ATOM 1053 CA LYS A 70 1.073 3.530 21.974 1.00 43.43 C ATOM 1054 C LYS A 70 0.499 2.450 22.885 1.00 54.33 C ATOM 1055 O LYS A 70 1.075 1.372 23.023 1.00 2.02 O ATOM 1056 CB LYS A 70 2.025 4.428 22.767 1.00 4.12 C ATOM 1057 CG LYS A 70 1.492 4.823 24.134 1.00 63.34 C ATOM 1058 CD LYS A 70 2.006 3.895 25.222 1.00 45.22 C ATOM 1059 CE LYS A 70 3.505 4.056 25.430 1.00 55.43 C ATOM 1060 NZ LYS A 70 3.951 3.469 26.723 1.00 4.33 N ATOM 0 H LYS A 70 -0.216 5.181 21.885 1.00 34.23 H new ATOM 0 HA LYS A 70 1.625 3.045 21.169 1.00 43.43 H new ATOM 0 HB2 LYS A 70 2.977 3.912 22.893 1.00 4.12 H new ATOM 0 HB3 LYS A 70 2.225 5.331 22.190 1.00 4.12 H new ATOM 0 HG2 LYS A 70 1.788 5.848 24.359 1.00 63.34 H new ATOM 0 HG3 LYS A 70 0.402 4.801 24.121 1.00 63.34 H new ATOM 0 HD2 LYS A 70 1.484 4.103 26.156 1.00 45.22 H new ATOM 0 HD3 LYS A 70 1.783 2.862 24.956 1.00 45.22 H new ATOM 0 HE2 LYS A 70 4.039 3.576 24.610 1.00 55.43 H new ATOM 0 HE3 LYS A 70 3.764 5.114 25.403 1.00 55.43 H new ATOM 0 HZ1 LYS A 70 4.978 3.599 26.827 1.00 4.33 H new ATOM 0 HZ2 LYS A 70 3.460 3.944 27.507 1.00 4.33 H new ATOM 0 HZ3 LYS A 70 3.727 2.453 26.739 1.00 4.33 H new ATOM 1074 N GLN A 71 -0.641 2.747 23.502 1.00 44.54 N ATOM 1075 CA GLN A 71 -1.293 1.800 24.398 1.00 3.53 C ATOM 1076 C GLN A 71 -2.278 0.920 23.637 1.00 64.51 C ATOM 1077 O GLN A 71 -2.154 -0.305 23.632 1.00 34.41 O ATOM 1078 CB GLN A 71 -2.018 2.545 25.521 1.00 51.05 C ATOM 1079 CG GLN A 71 -1.081 3.156 26.550 1.00 52.42 C ATOM 1080 CD GLN A 71 -0.190 2.125 27.213 1.00 21.01 C ATOM 1081 OE1 GLN A 71 0.799 1.677 26.632 1.00 21.14 O ATOM 1082 NE2 GLN A 71 -0.536 1.742 28.437 1.00 40.33 N ATOM 0 H GLN A 71 -1.131 3.635 23.397 1.00 44.54 H new ATOM 0 HA GLN A 71 -0.524 1.161 24.832 1.00 3.53 H new ATOM 0 HB2 GLN A 71 -2.630 3.335 25.086 1.00 51.05 H new ATOM 0 HB3 GLN A 71 -2.697 1.856 26.024 1.00 51.05 H new ATOM 0 HG2 GLN A 71 -0.460 3.911 26.067 1.00 52.42 H new ATOM 0 HG3 GLN A 71 -1.669 3.667 27.313 1.00 52.42 H new ATOM 0 HE21 GLN A 71 -1.364 2.140 28.881 1.00 40.33 H new ATOM 0 HE22 GLN A 71 0.026 1.050 28.933 1.00 40.33 H new ATOM 1091 N ARG A 72 -3.255 1.551 22.995 1.00 42.22 N ATOM 1092 CA ARG A 72 -4.262 0.824 22.231 1.00 10.53 C ATOM 1093 C ARG A 72 -3.607 -0.130 21.238 1.00 62.43 C ATOM 1094 O ARG A 72 -3.963 -1.307 21.164 1.00 41.11 O ATOM 1095 CB ARG A 72 -5.174 1.803 21.489 1.00 33.21 C ATOM 1096 CG ARG A 72 -5.948 2.732 22.410 1.00 73.11 C ATOM 1097 CD ARG A 72 -7.308 3.086 21.829 1.00 52.31 C ATOM 1098 NE ARG A 72 -8.346 2.152 22.256 1.00 12.13 N ATOM 1099 CZ ARG A 72 -9.643 2.439 22.244 1.00 72.22 C ATOM 1100 NH1 ARG A 72 -10.059 3.627 21.827 1.00 30.23 N ATOM 1101 NH2 ARG A 72 -10.527 1.536 22.648 1.00 34.22 N ATOM 0 H ARG A 72 -3.371 2.564 22.988 1.00 42.22 H new ATOM 0 HA ARG A 72 -4.860 0.239 22.930 1.00 10.53 H new ATOM 0 HB2 ARG A 72 -4.571 2.402 20.806 1.00 33.21 H new ATOM 0 HB3 ARG A 72 -5.880 1.238 20.880 1.00 33.21 H new ATOM 0 HG2 ARG A 72 -6.079 2.256 23.382 1.00 73.11 H new ATOM 0 HG3 ARG A 72 -5.374 3.643 22.576 1.00 73.11 H new ATOM 0 HD2 ARG A 72 -7.581 4.096 22.135 1.00 52.31 H new ATOM 0 HD3 ARG A 72 -7.248 3.088 20.741 1.00 52.31 H new ATOM 0 HE ARG A 72 -8.060 1.229 22.581 1.00 12.13 H new ATOM 0 HH11 ARG A 72 -9.382 4.323 21.514 1.00 30.23 H new ATOM 0 HH12 ARG A 72 -11.056 3.844 21.819 1.00 30.23 H new ATOM 0 HH21 ARG A 72 -10.211 0.621 22.968 1.00 34.22 H new ATOM 0 HH22 ARG A 72 -11.523 1.757 22.638 1.00 34.22 H new ATOM 1115 N HIS A 73 -2.648 0.384 20.475 1.00 44.34 N ATOM 1116 CA HIS A 73 -1.942 -0.423 19.485 1.00 14.41 C ATOM 1117 C HIS A 73 -0.682 0.289 19.003 1.00 63.32 C ATOM 1118 O HIS A 73 -0.684 0.989 17.990 1.00 1.33 O ATOM 1119 CB HIS A 73 -2.857 -0.726 18.298 1.00 42.21 C ATOM 1120 CG HIS A 73 -3.898 0.324 18.061 1.00 75.13 C ATOM 1121 ND1 HIS A 73 -5.219 0.170 18.427 1.00 2.34 N ATOM 1122 CD2 HIS A 73 -3.808 1.549 17.492 1.00 64.44 C ATOM 1123 CE1 HIS A 73 -5.895 1.254 18.092 1.00 14.45 C ATOM 1124 NE2 HIS A 73 -5.062 2.106 17.523 1.00 10.43 N ATOM 0 H HIS A 73 -2.341 1.356 20.523 1.00 44.34 H new ATOM 0 HA HIS A 73 -1.650 -1.361 19.957 1.00 14.41 H new ATOM 0 HB2 HIS A 73 -2.249 -0.833 17.399 1.00 42.21 H new ATOM 0 HB3 HIS A 73 -3.350 -1.684 18.465 1.00 42.21 H new ATOM 0 HD2 HIS A 73 -2.915 2.004 17.089 1.00 64.44 H new ATOM 0 HE1 HIS A 73 -6.950 1.416 18.256 1.00 14.45 H new ATOM 0 HE2 HIS A 73 -5.310 3.028 17.165 1.00 10.43 H new ATOM 1132 N PRO A 74 0.421 0.107 19.744 1.00 64.33 N ATOM 1133 CA PRO A 74 1.709 0.723 19.411 1.00 41.01 C ATOM 1134 C PRO A 74 2.333 0.121 18.157 1.00 63.52 C ATOM 1135 O PRO A 74 3.369 0.586 17.683 1.00 24.21 O ATOM 1136 CB PRO A 74 2.574 0.421 20.637 1.00 64.11 C ATOM 1137 CG PRO A 74 1.973 -0.806 21.232 1.00 45.33 C ATOM 1138 CD PRO A 74 0.497 -0.715 20.963 1.00 33.31 C ATOM 0 HA PRO A 74 1.608 1.787 19.195 1.00 41.01 H new ATOM 0 HB2 PRO A 74 3.614 0.256 20.357 1.00 64.11 H new ATOM 0 HB3 PRO A 74 2.562 1.251 21.344 1.00 64.11 H new ATOM 0 HG2 PRO A 74 2.397 -1.705 20.784 1.00 45.33 H new ATOM 0 HG3 PRO A 74 2.172 -0.859 22.302 1.00 45.33 H new ATOM 0 HD2 PRO A 74 0.055 -1.700 20.811 1.00 33.31 H new ATOM 0 HD3 PRO A 74 -0.035 -0.251 21.794 1.00 33.31 H new ATOM 1146 N MET A 75 1.696 -0.917 17.624 1.00 53.42 N ATOM 1147 CA MET A 75 2.189 -1.581 16.423 1.00 34.30 C ATOM 1148 C MET A 75 2.086 -0.661 15.211 1.00 1.31 C ATOM 1149 O MET A 75 2.661 -0.938 14.157 1.00 34.35 O ATOM 1150 CB MET A 75 1.403 -2.869 16.168 1.00 52.11 C ATOM 1151 CG MET A 75 2.112 -3.840 15.238 1.00 42.30 C ATOM 1152 SD MET A 75 2.269 -5.491 15.946 1.00 40.33 S ATOM 1153 CE MET A 75 3.692 -6.109 15.051 1.00 4.32 C ATOM 0 H MET A 75 0.838 -1.316 18.005 1.00 53.42 H new ATOM 0 HA MET A 75 3.239 -1.829 16.580 1.00 34.30 H new ATOM 0 HB2 MET A 75 1.214 -3.364 17.121 1.00 52.11 H new ATOM 0 HB3 MET A 75 0.432 -2.614 15.742 1.00 52.11 H new ATOM 0 HG2 MET A 75 1.564 -3.903 14.298 1.00 42.30 H new ATOM 0 HG3 MET A 75 3.104 -3.454 15.003 1.00 42.30 H new ATOM 0 HE1 MET A 75 3.915 -7.124 15.379 1.00 4.32 H new ATOM 0 HE2 MET A 75 3.477 -6.112 13.982 1.00 4.32 H new ATOM 0 HE3 MET A 75 4.551 -5.468 15.246 1.00 4.32 H new ATOM 1163 N LEU A 76 1.351 0.435 15.367 1.00 45.13 N ATOM 1164 CA LEU A 76 1.174 1.397 14.285 1.00 55.05 C ATOM 1165 C LEU A 76 2.328 2.394 14.247 1.00 74.33 C ATOM 1166 O LEU A 76 2.888 2.772 15.276 1.00 73.22 O ATOM 1167 CB LEU A 76 -0.153 2.141 14.450 1.00 43.00 C ATOM 1168 CG LEU A 76 -1.220 1.853 13.394 1.00 52.13 C ATOM 1169 CD1 LEU A 76 -2.521 1.423 14.053 1.00 33.01 C ATOM 1170 CD2 LEU A 76 -1.444 3.075 12.515 1.00 50.12 C ATOM 0 H LEU A 76 0.868 0.679 16.232 1.00 45.13 H new ATOM 0 HA LEU A 76 1.162 0.849 13.343 1.00 55.05 H new ATOM 0 HB2 LEU A 76 -0.564 1.896 15.429 1.00 43.00 H new ATOM 0 HB3 LEU A 76 0.051 3.212 14.449 1.00 43.00 H new ATOM 0 HG LEU A 76 -0.869 1.036 12.764 1.00 52.13 H new ATOM 0 HD11 LEU A 76 -3.269 1.222 13.286 1.00 33.01 H new ATOM 0 HD12 LEU A 76 -2.351 0.520 14.639 1.00 33.01 H new ATOM 0 HD13 LEU A 76 -2.877 2.218 14.708 1.00 33.01 H new ATOM 0 HD21 LEU A 76 -2.207 2.852 11.769 1.00 50.12 H new ATOM 0 HD22 LEU A 76 -1.773 3.911 13.132 1.00 50.12 H new ATOM 0 HD23 LEU A 76 -0.513 3.338 12.014 1.00 50.12 H new ATOM 1182 N PRO A 77 2.691 2.832 13.032 1.00 5.24 N ATOM 1183 CA PRO A 77 3.780 3.793 12.831 1.00 0.23 C ATOM 1184 C PRO A 77 3.423 5.187 13.336 1.00 42.34 C ATOM 1185 O PRO A 77 2.289 5.642 13.185 1.00 71.52 O ATOM 1186 CB PRO A 77 3.966 3.806 11.312 1.00 61.41 C ATOM 1187 CG PRO A 77 2.644 3.391 10.765 1.00 32.10 C ATOM 1188 CD PRO A 77 2.068 2.424 11.762 1.00 11.14 C ATOM 0 HA PRO A 77 4.678 3.513 13.382 1.00 0.23 H new ATOM 0 HB2 PRO A 77 4.248 4.797 10.956 1.00 61.41 H new ATOM 0 HB3 PRO A 77 4.755 3.120 11.004 1.00 61.41 H new ATOM 0 HG2 PRO A 77 1.989 4.252 10.633 1.00 32.10 H new ATOM 0 HG3 PRO A 77 2.756 2.923 9.787 1.00 32.10 H new ATOM 0 HD2 PRO A 77 0.981 2.493 11.807 1.00 11.14 H new ATOM 0 HD3 PRO A 77 2.312 1.392 11.508 1.00 11.14 H new ATOM 1196 N VAL A 78 4.399 5.863 13.935 1.00 72.41 N ATOM 1197 CA VAL A 78 4.188 7.206 14.460 1.00 13.22 C ATOM 1198 C VAL A 78 5.390 8.101 14.179 1.00 15.22 C ATOM 1199 O VAL A 78 6.537 7.661 14.261 1.00 74.23 O ATOM 1200 CB VAL A 78 3.924 7.181 15.977 1.00 22.35 C ATOM 1201 CG1 VAL A 78 3.634 8.582 16.493 1.00 50.11 C ATOM 1202 CG2 VAL A 78 2.777 6.236 16.303 1.00 61.03 C ATOM 0 H VAL A 78 5.344 5.502 14.068 1.00 72.41 H new ATOM 0 HA VAL A 78 3.312 7.610 13.953 1.00 13.22 H new ATOM 0 HB VAL A 78 4.820 6.814 16.477 1.00 22.35 H new ATOM 0 HG11 VAL A 78 3.450 8.543 17.567 1.00 50.11 H new ATOM 0 HG12 VAL A 78 4.490 9.227 16.294 1.00 50.11 H new ATOM 0 HG13 VAL A 78 2.754 8.981 15.988 1.00 50.11 H new ATOM 0 HG21 VAL A 78 2.604 6.231 17.379 1.00 61.03 H new ATOM 0 HG22 VAL A 78 1.874 6.570 15.792 1.00 61.03 H new ATOM 0 HG23 VAL A 78 3.030 5.229 15.971 1.00 61.03 H new ATOM 1212 N ILE A 79 5.119 9.359 13.849 1.00 52.33 N ATOM 1213 CA ILE A 79 6.178 10.317 13.557 1.00 24.12 C ATOM 1214 C ILE A 79 6.111 11.515 14.498 1.00 14.11 C ATOM 1215 O ILE A 79 5.074 12.170 14.612 1.00 72.31 O ATOM 1216 CB ILE A 79 6.101 10.816 12.102 1.00 5.02 C ATOM 1217 CG1 ILE A 79 6.220 9.641 11.130 1.00 61.41 C ATOM 1218 CG2 ILE A 79 7.192 11.843 11.836 1.00 22.32 C ATOM 1219 CD1 ILE A 79 5.586 9.905 9.782 1.00 5.11 C ATOM 0 H ILE A 79 4.175 9.739 13.777 1.00 52.33 H new ATOM 0 HA ILE A 79 7.124 9.795 13.704 1.00 24.12 H new ATOM 0 HB ILE A 79 5.134 11.294 11.948 1.00 5.02 H new ATOM 0 HG12 ILE A 79 7.274 9.404 10.986 1.00 61.41 H new ATOM 0 HG13 ILE A 79 5.754 8.762 11.576 1.00 61.41 H new ATOM 0 HG21 ILE A 79 7.125 12.186 10.804 1.00 22.32 H new ATOM 0 HG22 ILE A 79 7.066 12.691 12.509 1.00 22.32 H new ATOM 0 HG23 ILE A 79 8.168 11.389 12.004 1.00 22.32 H new ATOM 0 HD11 ILE A 79 5.708 9.029 9.145 1.00 5.11 H new ATOM 0 HD12 ILE A 79 4.524 10.112 9.914 1.00 5.11 H new ATOM 0 HD13 ILE A 79 6.068 10.764 9.315 1.00 5.11 H new ATOM 1231 N ILE A 80 7.222 11.797 15.169 1.00 43.33 N ATOM 1232 CA ILE A 80 7.290 12.919 16.097 1.00 32.34 C ATOM 1233 C ILE A 80 7.652 14.211 15.373 1.00 21.04 C ATOM 1234 O ILE A 80 8.751 14.346 14.837 1.00 42.33 O ATOM 1235 CB ILE A 80 8.319 12.663 17.214 1.00 11.55 C ATOM 1236 CG1 ILE A 80 8.144 11.256 17.787 1.00 33.52 C ATOM 1237 CG2 ILE A 80 8.180 13.708 18.311 1.00 0.54 C ATOM 1238 CD1 ILE A 80 6.761 10.997 18.344 1.00 41.31 C ATOM 0 H ILE A 80 8.088 11.264 15.088 1.00 43.33 H new ATOM 0 HA ILE A 80 6.300 13.021 16.542 1.00 32.34 H new ATOM 0 HB ILE A 80 9.320 12.740 16.790 1.00 11.55 H new ATOM 0 HG12 ILE A 80 8.355 10.526 17.006 1.00 33.52 H new ATOM 0 HG13 ILE A 80 8.880 11.100 18.576 1.00 33.52 H new ATOM 0 HG21 ILE A 80 8.914 13.514 19.093 1.00 0.54 H new ATOM 0 HG22 ILE A 80 8.350 14.700 17.892 1.00 0.54 H new ATOM 0 HG23 ILE A 80 7.177 13.660 18.734 1.00 0.54 H new ATOM 0 HD11 ILE A 80 6.710 9.980 18.733 1.00 41.31 H new ATOM 0 HD12 ILE A 80 6.554 11.704 19.148 1.00 41.31 H new ATOM 0 HD13 ILE A 80 6.021 11.121 17.553 1.00 41.31 H new ATOM 1250 N MET A 81 6.721 15.159 15.364 1.00 34.15 N ATOM 1251 CA MET A 81 6.943 16.442 14.709 1.00 43.41 C ATOM 1252 C MET A 81 6.599 17.597 15.644 1.00 51.41 C ATOM 1253 O MET A 81 5.482 17.684 16.156 1.00 41.24 O ATOM 1254 CB MET A 81 6.107 16.538 13.431 1.00 4.52 C ATOM 1255 CG MET A 81 4.736 15.895 13.553 1.00 73.45 C ATOM 1256 SD MET A 81 3.552 16.552 12.362 1.00 10.20 S ATOM 1257 CE MET A 81 2.130 16.829 13.416 1.00 61.54 C ATOM 0 H MET A 81 5.805 15.063 15.803 1.00 34.15 H new ATOM 0 HA MET A 81 7.999 16.511 14.449 1.00 43.41 H new ATOM 0 HB2 MET A 81 5.985 17.588 13.165 1.00 4.52 H new ATOM 0 HB3 MET A 81 6.651 16.063 12.614 1.00 4.52 H new ATOM 0 HG2 MET A 81 4.830 14.819 13.410 1.00 73.45 H new ATOM 0 HG3 MET A 81 4.355 16.050 14.562 1.00 73.45 H new ATOM 0 HE1 MET A 81 1.217 16.626 12.856 1.00 61.54 H new ATOM 0 HE2 MET A 81 2.182 16.165 14.279 1.00 61.54 H new ATOM 0 HE3 MET A 81 2.125 17.865 13.755 1.00 61.54 H new ATOM 1267 N THR A 82 7.565 18.483 15.864 1.00 43.52 N ATOM 1268 CA THR A 82 7.365 19.632 16.738 1.00 13.12 C ATOM 1269 C THR A 82 8.590 20.539 16.745 1.00 22.41 C ATOM 1270 O THR A 82 9.515 20.354 15.955 1.00 62.52 O ATOM 1271 CB THR A 82 7.058 19.192 18.182 1.00 15.00 C ATOM 1272 OG1 THR A 82 6.547 20.299 18.933 1.00 22.05 O ATOM 1273 CG2 THR A 82 8.306 18.646 18.858 1.00 31.24 C ATOM 0 H THR A 82 8.495 18.427 15.448 1.00 43.52 H new ATOM 0 HA THR A 82 6.511 20.183 16.344 1.00 13.12 H new ATOM 0 HB THR A 82 6.309 18.401 18.146 1.00 15.00 H new ATOM 0 HG1 THR A 82 5.641 20.512 18.626 1.00 22.05 H new ATOM 0 HG21 THR A 82 8.065 18.342 19.876 1.00 31.24 H new ATOM 0 HG22 THR A 82 8.675 17.785 18.300 1.00 31.24 H new ATOM 0 HG23 THR A 82 9.074 19.419 18.883 1.00 31.24 H new ATOM 1281 N ALA A 83 8.591 21.519 17.643 1.00 75.43 N ATOM 1282 CA ALA A 83 9.704 22.452 17.754 1.00 43.30 C ATOM 1283 C ALA A 83 10.526 22.180 19.009 1.00 31.34 C ATOM 1284 O ALA A 83 10.340 21.161 19.676 1.00 11.33 O ATOM 1285 CB ALA A 83 9.193 23.885 17.756 1.00 3.41 C ATOM 0 H ALA A 83 7.833 21.687 18.304 1.00 75.43 H new ATOM 0 HA ALA A 83 10.352 22.310 16.889 1.00 43.30 H new ATOM 0 HB1 ALA A 83 10.035 24.572 17.839 1.00 3.41 H new ATOM 0 HB2 ALA A 83 8.656 24.081 16.828 1.00 3.41 H new ATOM 0 HB3 ALA A 83 8.521 24.031 18.602 1.00 3.41 H new ATOM 1291 N HIS A 84 11.436 23.096 19.326 1.00 72.50 N ATOM 1292 CA HIS A 84 12.287 22.953 20.502 1.00 15.32 C ATOM 1293 C HIS A 84 11.451 22.661 21.745 1.00 70.21 C ATOM 1294 O HIS A 84 11.911 21.992 22.671 1.00 54.34 O ATOM 1295 CB HIS A 84 13.113 24.221 20.716 1.00 3.52 C ATOM 1296 CG HIS A 84 12.295 25.409 21.119 1.00 53.45 C ATOM 1297 ND1 HIS A 84 12.593 26.193 22.213 1.00 43.52 N ATOM 1298 CD2 HIS A 84 11.183 25.947 20.565 1.00 74.22 C ATOM 1299 CE1 HIS A 84 11.699 27.161 22.316 1.00 64.33 C ATOM 1300 NE2 HIS A 84 10.832 27.034 21.327 1.00 24.34 N ATOM 0 H HIS A 84 11.603 23.945 18.785 1.00 72.50 H new ATOM 0 HA HIS A 84 12.961 22.113 20.333 1.00 15.32 H new ATOM 0 HB2 HIS A 84 13.864 24.030 21.483 1.00 3.52 H new ATOM 0 HB3 HIS A 84 13.649 24.455 19.796 1.00 3.52 H new ATOM 0 HD2 HIS A 84 10.668 25.588 19.687 1.00 74.22 H new ATOM 0 HE1 HIS A 84 11.680 27.926 23.079 1.00 64.33 H new ATOM 0 HE2 HIS A 84 10.032 27.644 21.157 1.00 24.34 H new ATOM 1308 N SER A 85 10.222 23.167 21.758 1.00 31.23 N ATOM 1309 CA SER A 85 9.324 22.964 22.889 1.00 30.31 C ATOM 1310 C SER A 85 9.000 21.483 23.067 1.00 44.42 C ATOM 1311 O SER A 85 8.624 20.800 22.114 1.00 12.33 O ATOM 1312 CB SER A 85 8.032 23.760 22.691 1.00 24.42 C ATOM 1313 OG SER A 85 7.687 24.472 23.866 1.00 5.44 O ATOM 0 H SER A 85 9.825 23.720 20.998 1.00 31.23 H new ATOM 0 HA SER A 85 9.827 23.319 23.789 1.00 30.31 H new ATOM 0 HB2 SER A 85 8.154 24.457 21.862 1.00 24.42 H new ATOM 0 HB3 SER A 85 7.222 23.083 22.421 1.00 24.42 H new ATOM 0 HG SER A 85 6.859 24.974 23.713 1.00 5.44 H new ATOM 1319 N ASP A 86 9.150 20.995 24.293 1.00 62.20 N ATOM 1320 CA ASP A 86 8.873 19.596 24.598 1.00 64.23 C ATOM 1321 C ASP A 86 9.802 18.675 23.812 1.00 33.44 C ATOM 1322 O ASP A 86 9.524 17.485 23.652 1.00 13.41 O ATOM 1323 CB ASP A 86 7.415 19.262 24.281 1.00 70.45 C ATOM 1324 CG ASP A 86 6.445 20.224 24.937 1.00 75.22 C ATOM 1325 OD1 ASP A 86 6.417 21.405 24.533 1.00 13.01 O ATOM 1326 OD2 ASP A 86 5.713 19.796 25.855 1.00 65.13 O ATOM 0 H ASP A 86 9.462 21.547 25.092 1.00 62.20 H new ATOM 0 HA ASP A 86 9.050 19.439 25.662 1.00 64.23 H new ATOM 0 HB2 ASP A 86 7.267 19.282 23.201 1.00 70.45 H new ATOM 0 HB3 ASP A 86 7.197 18.247 24.614 1.00 70.45 H new ATOM 1331 N LEU A 87 10.904 19.231 23.324 1.00 45.31 N ATOM 1332 CA LEU A 87 11.874 18.460 22.554 1.00 43.22 C ATOM 1333 C LEU A 87 12.420 17.296 23.375 1.00 51.32 C ATOM 1334 O LEU A 87 12.938 16.324 22.824 1.00 13.35 O ATOM 1335 CB LEU A 87 13.024 19.360 22.097 1.00 12.11 C ATOM 1336 CG LEU A 87 14.286 18.644 21.615 1.00 0.11 C ATOM 1337 CD1 LEU A 87 13.989 17.814 20.376 1.00 53.11 C ATOM 1338 CD2 LEU A 87 15.394 19.648 21.333 1.00 2.25 C ATOM 0 H LEU A 87 11.149 20.213 23.447 1.00 45.31 H new ATOM 0 HA LEU A 87 11.366 18.056 21.678 1.00 43.22 H new ATOM 0 HB2 LEU A 87 12.662 19.997 21.290 1.00 12.11 H new ATOM 0 HB3 LEU A 87 13.296 20.016 22.924 1.00 12.11 H new ATOM 0 HG LEU A 87 14.623 17.973 22.405 1.00 0.11 H new ATOM 0 HD11 LEU A 87 14.899 17.312 20.048 1.00 53.11 H new ATOM 0 HD12 LEU A 87 13.228 17.069 20.611 1.00 53.11 H new ATOM 0 HD13 LEU A 87 13.626 18.465 19.580 1.00 53.11 H new ATOM 0 HD21 LEU A 87 16.285 19.121 20.991 1.00 2.25 H new ATOM 0 HD22 LEU A 87 15.066 20.345 20.561 1.00 2.25 H new ATOM 0 HD23 LEU A 87 15.626 20.199 22.244 1.00 2.25 H new ATOM 1350 N ASP A 88 12.298 17.401 24.693 1.00 3.15 N ATOM 1351 CA ASP A 88 12.776 16.356 25.591 1.00 62.31 C ATOM 1352 C ASP A 88 12.147 15.010 25.242 1.00 11.50 C ATOM 1353 O ASP A 88 12.719 13.956 25.517 1.00 3.42 O ATOM 1354 CB ASP A 88 12.463 16.718 27.043 1.00 14.14 C ATOM 1355 CG ASP A 88 13.510 16.199 28.009 1.00 43.54 C ATOM 1356 OD1 ASP A 88 14.715 16.379 27.730 1.00 13.14 O ATOM 1357 OD2 ASP A 88 13.126 15.615 29.043 1.00 60.33 O ATOM 0 H ASP A 88 11.872 18.199 25.164 1.00 3.15 H new ATOM 0 HA ASP A 88 13.856 16.274 25.471 1.00 62.31 H new ATOM 0 HB2 ASP A 88 12.392 17.802 27.137 1.00 14.14 H new ATOM 0 HB3 ASP A 88 11.489 16.310 27.314 1.00 14.14 H new ATOM 1362 N ALA A 89 10.965 15.055 24.636 1.00 42.34 N ATOM 1363 CA ALA A 89 10.259 13.840 24.249 1.00 53.55 C ATOM 1364 C ALA A 89 10.972 13.132 23.102 1.00 42.20 C ATOM 1365 O ALA A 89 10.783 11.936 22.885 1.00 35.20 O ATOM 1366 CB ALA A 89 8.824 14.166 23.859 1.00 21.55 C ATOM 0 H ALA A 89 10.477 15.919 24.403 1.00 42.34 H new ATOM 0 HA ALA A 89 10.248 13.167 25.106 1.00 53.55 H new ATOM 0 HB1 ALA A 89 8.308 13.250 23.572 1.00 21.55 H new ATOM 0 HB2 ALA A 89 8.311 14.621 24.706 1.00 21.55 H new ATOM 0 HB3 ALA A 89 8.824 14.861 23.019 1.00 21.55 H new ATOM 1372 N ALA A 90 11.793 13.879 22.370 1.00 11.05 N ATOM 1373 CA ALA A 90 12.536 13.322 21.247 1.00 74.31 C ATOM 1374 C ALA A 90 13.370 12.121 21.681 1.00 13.44 C ATOM 1375 O ALA A 90 13.531 11.160 20.930 1.00 72.22 O ATOM 1376 CB ALA A 90 13.425 14.386 20.622 1.00 51.50 C ATOM 0 H ALA A 90 11.960 14.872 22.535 1.00 11.05 H new ATOM 0 HA ALA A 90 11.817 12.981 20.502 1.00 74.31 H new ATOM 0 HB1 ALA A 90 13.974 13.955 19.784 1.00 51.50 H new ATOM 0 HB2 ALA A 90 12.809 15.212 20.266 1.00 51.50 H new ATOM 0 HB3 ALA A 90 14.130 14.754 21.367 1.00 51.50 H new ATOM 1382 N VAL A 91 13.899 12.184 22.899 1.00 0.02 N ATOM 1383 CA VAL A 91 14.717 11.102 23.434 1.00 73.21 C ATOM 1384 C VAL A 91 13.853 9.923 23.868 1.00 14.33 C ATOM 1385 O VAL A 91 14.030 8.802 23.393 1.00 74.14 O ATOM 1386 CB VAL A 91 15.560 11.575 24.633 1.00 41.24 C ATOM 1387 CG1 VAL A 91 16.561 10.504 25.038 1.00 72.20 C ATOM 1388 CG2 VAL A 91 16.268 12.880 24.303 1.00 43.52 C ATOM 0 H VAL A 91 13.776 12.973 23.534 1.00 0.02 H new ATOM 0 HA VAL A 91 15.385 10.785 22.633 1.00 73.21 H new ATOM 0 HB VAL A 91 14.893 11.752 25.477 1.00 41.24 H new ATOM 0 HG11 VAL A 91 17.147 10.856 25.887 1.00 72.20 H new ATOM 0 HG12 VAL A 91 16.028 9.595 25.317 1.00 72.20 H new ATOM 0 HG13 VAL A 91 17.226 10.292 24.201 1.00 72.20 H new ATOM 0 HG21 VAL A 91 16.859 13.200 25.161 1.00 43.52 H new ATOM 0 HG22 VAL A 91 16.924 12.731 23.445 1.00 43.52 H new ATOM 0 HG23 VAL A 91 15.529 13.645 24.066 1.00 43.52 H new ATOM 1398 N SER A 92 12.916 10.185 24.775 1.00 45.31 N ATOM 1399 CA SER A 92 12.026 9.145 25.277 1.00 51.43 C ATOM 1400 C SER A 92 11.263 8.485 24.132 1.00 12.14 C ATOM 1401 O SER A 92 10.819 7.343 24.245 1.00 31.14 O ATOM 1402 CB SER A 92 11.041 9.733 26.290 1.00 62.35 C ATOM 1403 OG SER A 92 9.844 8.976 26.335 1.00 51.15 O ATOM 0 H SER A 92 12.754 11.109 25.177 1.00 45.31 H new ATOM 0 HA SER A 92 12.634 8.387 25.770 1.00 51.43 H new ATOM 0 HB2 SER A 92 11.500 9.753 27.279 1.00 62.35 H new ATOM 0 HB3 SER A 92 10.813 10.765 26.023 1.00 62.35 H new ATOM 0 HG SER A 92 9.232 9.371 26.990 1.00 51.15 H new ATOM 1409 N ALA A 93 11.114 9.213 23.031 1.00 44.34 N ATOM 1410 CA ALA A 93 10.407 8.699 21.864 1.00 22.14 C ATOM 1411 C ALA A 93 11.135 7.500 21.266 1.00 34.42 C ATOM 1412 O ALA A 93 10.518 6.483 20.948 1.00 74.25 O ATOM 1413 CB ALA A 93 10.244 9.794 20.821 1.00 51.02 C ATOM 0 H ALA A 93 11.474 10.161 22.922 1.00 44.34 H new ATOM 0 HA ALA A 93 9.419 8.368 22.185 1.00 22.14 H new ATOM 0 HB1 ALA A 93 9.715 9.396 19.955 1.00 51.02 H new ATOM 0 HB2 ALA A 93 9.674 10.620 21.247 1.00 51.02 H new ATOM 0 HB3 ALA A 93 11.226 10.152 20.513 1.00 51.02 H new ATOM 1419 N TYR A 94 12.448 7.625 21.116 1.00 43.34 N ATOM 1420 CA TYR A 94 13.259 6.552 20.552 1.00 2.43 C ATOM 1421 C TYR A 94 13.330 5.364 21.507 1.00 42.50 C ATOM 1422 O TYR A 94 13.528 4.226 21.084 1.00 61.03 O ATOM 1423 CB TYR A 94 14.669 7.058 20.244 1.00 4.44 C ATOM 1424 CG TYR A 94 14.735 7.974 19.043 1.00 64.44 C ATOM 1425 CD1 TYR A 94 14.187 7.593 17.824 1.00 32.21 C ATOM 1426 CD2 TYR A 94 15.347 9.218 19.125 1.00 11.42 C ATOM 1427 CE1 TYR A 94 14.245 8.425 16.723 1.00 2.31 C ATOM 1428 CE2 TYR A 94 15.409 10.058 18.030 1.00 74.11 C ATOM 1429 CZ TYR A 94 14.857 9.657 16.831 1.00 34.11 C ATOM 1430 OH TYR A 94 14.917 10.490 15.737 1.00 24.34 O ATOM 0 H TYR A 94 12.974 8.459 21.377 1.00 43.34 H new ATOM 0 HA TYR A 94 12.788 6.223 19.626 1.00 2.43 H new ATOM 0 HB2 TYR A 94 15.054 7.587 21.116 1.00 4.44 H new ATOM 0 HB3 TYR A 94 15.324 6.203 20.075 1.00 4.44 H new ATOM 0 HD1 TYR A 94 13.707 6.629 17.736 1.00 32.21 H new ATOM 0 HD2 TYR A 94 15.782 9.534 20.061 1.00 11.42 H new ATOM 0 HE1 TYR A 94 13.814 8.113 15.783 1.00 2.31 H new ATOM 0 HE2 TYR A 94 15.887 11.023 18.112 1.00 74.11 H new ATOM 0 HH TYR A 94 15.379 11.319 15.982 1.00 24.34 H new ATOM 1440 N GLN A 95 13.166 5.640 22.797 1.00 63.21 N ATOM 1441 CA GLN A 95 13.212 4.594 23.812 1.00 13.44 C ATOM 1442 C GLN A 95 12.153 3.530 23.545 1.00 33.25 C ATOM 1443 O GLN A 95 12.442 2.334 23.569 1.00 4.05 O ATOM 1444 CB GLN A 95 13.007 5.196 25.204 1.00 44.43 C ATOM 1445 CG GLN A 95 14.056 6.232 25.579 1.00 73.54 C ATOM 1446 CD GLN A 95 15.388 5.607 25.944 1.00 51.21 C ATOM 1447 OE1 GLN A 95 15.461 4.735 26.810 1.00 61.43 O ATOM 1448 NE2 GLN A 95 16.451 6.052 25.284 1.00 21.30 N ATOM 0 H GLN A 95 13.000 6.577 23.163 1.00 63.21 H new ATOM 0 HA GLN A 95 14.194 4.123 23.768 1.00 13.44 H new ATOM 0 HB2 GLN A 95 12.020 5.657 25.250 1.00 44.43 H new ATOM 0 HB3 GLN A 95 13.019 4.395 25.943 1.00 44.43 H new ATOM 0 HG2 GLN A 95 14.198 6.919 24.745 1.00 73.54 H new ATOM 0 HG3 GLN A 95 13.693 6.823 26.420 1.00 73.54 H new ATOM 0 HE21 GLN A 95 16.344 6.776 24.574 1.00 21.30 H new ATOM 0 HE22 GLN A 95 17.374 5.669 25.487 1.00 21.30 H new ATOM 1457 N GLN A 96 10.926 3.973 23.292 1.00 53.31 N ATOM 1458 CA GLN A 96 9.824 3.058 23.022 1.00 73.43 C ATOM 1459 C GLN A 96 9.938 2.467 21.620 1.00 13.11 C ATOM 1460 O GLN A 96 9.346 1.430 21.322 1.00 1.44 O ATOM 1461 CB GLN A 96 8.484 3.779 23.177 1.00 73.14 C ATOM 1462 CG GLN A 96 8.127 4.662 21.992 1.00 65.25 C ATOM 1463 CD GLN A 96 7.593 6.016 22.413 1.00 51.42 C ATOM 1464 OE1 GLN A 96 7.211 6.215 23.567 1.00 62.43 O ATOM 1465 NE2 GLN A 96 7.563 6.958 21.477 1.00 14.33 N ATOM 0 H GLN A 96 10.670 4.960 23.268 1.00 53.31 H new ATOM 0 HA GLN A 96 9.876 2.244 23.745 1.00 73.43 H new ATOM 0 HB2 GLN A 96 7.697 3.038 23.318 1.00 73.14 H new ATOM 0 HB3 GLN A 96 8.512 4.390 24.079 1.00 73.14 H new ATOM 0 HG2 GLN A 96 9.010 4.802 21.369 1.00 65.25 H new ATOM 0 HG3 GLN A 96 7.381 4.156 21.379 1.00 65.25 H new ATOM 0 HE21 GLN A 96 7.889 6.750 20.533 1.00 14.33 H new ATOM 0 HE22 GLN A 96 7.214 7.890 21.702 1.00 14.33 H new ATOM 1474 N GLY A 97 10.703 3.135 20.762 1.00 12.30 N ATOM 1475 CA GLY A 97 10.880 2.662 19.402 1.00 71.33 C ATOM 1476 C GLY A 97 10.338 3.635 18.374 1.00 41.02 C ATOM 1477 O GLY A 97 9.743 3.228 17.377 1.00 70.43 O ATOM 0 H GLY A 97 11.203 3.995 20.985 1.00 12.30 H new ATOM 0 HA2 GLY A 97 11.940 2.494 19.214 1.00 71.33 H new ATOM 0 HA3 GLY A 97 10.379 1.701 19.287 1.00 71.33 H new ATOM 1481 N ALA A 98 10.543 4.925 18.617 1.00 13.44 N ATOM 1482 CA ALA A 98 10.071 5.959 17.705 1.00 54.30 C ATOM 1483 C ALA A 98 10.556 5.700 16.283 1.00 71.22 C ATOM 1484 O ALA A 98 11.495 4.933 16.067 1.00 74.03 O ATOM 1485 CB ALA A 98 10.528 7.331 18.179 1.00 65.30 C ATOM 0 H ALA A 98 11.033 5.279 19.438 1.00 13.44 H new ATOM 0 HA ALA A 98 8.981 5.933 17.700 1.00 54.30 H new ATOM 0 HB1 ALA A 98 10.168 8.093 17.488 1.00 65.30 H new ATOM 0 HB2 ALA A 98 10.127 7.525 19.174 1.00 65.30 H new ATOM 0 HB3 ALA A 98 11.617 7.359 18.215 1.00 65.30 H new ATOM 1491 N PHE A 99 9.910 6.343 15.316 1.00 63.14 N ATOM 1492 CA PHE A 99 10.275 6.180 13.913 1.00 3.12 C ATOM 1493 C PHE A 99 11.318 7.214 13.499 1.00 3.01 C ATOM 1494 O PHE A 99 12.410 6.865 13.050 1.00 61.31 O ATOM 1495 CB PHE A 99 9.036 6.304 13.024 1.00 44.40 C ATOM 1496 CG PHE A 99 9.249 5.798 11.626 1.00 73.00 C ATOM 1497 CD1 PHE A 99 9.784 6.623 10.650 1.00 24.11 C ATOM 1498 CD2 PHE A 99 8.913 4.497 11.288 1.00 61.12 C ATOM 1499 CE1 PHE A 99 9.980 6.160 9.363 1.00 71.52 C ATOM 1500 CE2 PHE A 99 9.107 4.028 10.002 1.00 32.22 C ATOM 1501 CZ PHE A 99 9.642 4.860 9.039 1.00 51.13 C ATOM 0 H PHE A 99 9.131 6.982 15.478 1.00 63.14 H new ATOM 0 HA PHE A 99 10.705 5.186 13.788 1.00 3.12 H new ATOM 0 HB2 PHE A 99 8.214 5.752 13.480 1.00 44.40 H new ATOM 0 HB3 PHE A 99 8.732 7.350 12.981 1.00 44.40 H new ATOM 0 HD1 PHE A 99 10.051 7.640 10.898 1.00 24.11 H new ATOM 0 HD2 PHE A 99 8.495 3.842 12.038 1.00 61.12 H new ATOM 0 HE1 PHE A 99 10.397 6.814 8.611 1.00 71.52 H new ATOM 0 HE2 PHE A 99 8.840 3.012 9.751 1.00 32.22 H new ATOM 0 HZ PHE A 99 9.796 4.495 8.034 1.00 51.13 H new ATOM 1511 N ASP A 100 10.973 8.488 13.653 1.00 24.42 N ATOM 1512 CA ASP A 100 11.879 9.574 13.296 1.00 30.51 C ATOM 1513 C ASP A 100 11.305 10.922 13.720 1.00 34.41 C ATOM 1514 O ASP A 100 10.181 11.000 14.217 1.00 11.42 O ATOM 1515 CB ASP A 100 12.145 9.570 11.790 1.00 25.41 C ATOM 1516 CG ASP A 100 13.609 9.788 11.461 1.00 40.05 C ATOM 1517 OD1 ASP A 100 14.468 9.242 12.184 1.00 34.11 O ATOM 1518 OD2 ASP A 100 13.896 10.506 10.479 1.00 30.15 O ATOM 0 H ASP A 100 10.073 8.794 14.023 1.00 24.42 H new ATOM 0 HA ASP A 100 12.820 9.418 13.824 1.00 30.51 H new ATOM 0 HB2 ASP A 100 11.818 8.619 11.369 1.00 25.41 H new ATOM 0 HB3 ASP A 100 11.549 10.350 11.316 1.00 25.41 H new ATOM 1523 N TYR A 101 12.083 11.979 13.521 1.00 1.43 N ATOM 1524 CA TYR A 101 11.653 13.324 13.886 1.00 4.02 C ATOM 1525 C TYR A 101 11.409 14.174 12.643 1.00 3.11 C ATOM 1526 O TYR A 101 12.312 14.383 11.832 1.00 63.54 O ATOM 1527 CB TYR A 101 12.701 13.993 14.777 1.00 25.23 C ATOM 1528 CG TYR A 101 12.197 15.233 15.479 1.00 11.41 C ATOM 1529 CD1 TYR A 101 11.095 15.178 16.323 1.00 34.23 C ATOM 1530 CD2 TYR A 101 12.821 16.461 15.297 1.00 5.05 C ATOM 1531 CE1 TYR A 101 10.629 16.309 16.966 1.00 24.32 C ATOM 1532 CE2 TYR A 101 12.364 17.597 15.937 1.00 22.34 C ATOM 1533 CZ TYR A 101 11.268 17.516 16.770 1.00 31.54 C ATOM 1534 OH TYR A 101 10.808 18.645 17.409 1.00 65.25 O ATOM 0 H TYR A 101 13.015 11.931 13.109 1.00 1.43 H new ATOM 0 HA TYR A 101 10.716 13.241 14.437 1.00 4.02 H new ATOM 0 HB2 TYR A 101 13.041 13.276 15.524 1.00 25.23 H new ATOM 0 HB3 TYR A 101 13.567 14.256 14.170 1.00 25.23 H new ATOM 0 HD1 TYR A 101 10.593 14.234 16.479 1.00 34.23 H new ATOM 0 HD2 TYR A 101 13.678 16.529 14.644 1.00 5.05 H new ATOM 0 HE1 TYR A 101 9.770 16.248 17.618 1.00 24.32 H new ATOM 0 HE2 TYR A 101 12.862 18.543 15.786 1.00 22.34 H new ATOM 0 HH TYR A 101 10.854 19.409 16.797 1.00 65.25 H new ATOM 1544 N LEU A 102 10.183 14.663 12.501 1.00 55.33 N ATOM 1545 CA LEU A 102 9.817 15.492 11.357 1.00 3.32 C ATOM 1546 C LEU A 102 9.530 16.925 11.793 1.00 13.42 C ATOM 1547 O LEU A 102 8.379 17.351 11.893 1.00 74.21 O ATOM 1548 CB LEU A 102 8.594 14.908 10.648 1.00 25.42 C ATOM 1549 CG LEU A 102 8.311 15.445 9.245 1.00 2.41 C ATOM 1550 CD1 LEU A 102 9.343 14.926 8.256 1.00 72.41 C ATOM 1551 CD2 LEU A 102 6.906 15.065 8.802 1.00 51.40 C ATOM 0 H LEU A 102 9.425 14.500 13.163 1.00 55.33 H new ATOM 0 HA LEU A 102 10.659 15.504 10.665 1.00 3.32 H new ATOM 0 HB2 LEU A 102 8.718 13.827 10.583 1.00 25.42 H new ATOM 0 HB3 LEU A 102 7.717 15.091 11.269 1.00 25.42 H new ATOM 0 HG LEU A 102 8.380 16.532 9.272 1.00 2.41 H new ATOM 0 HD11 LEU A 102 9.125 15.319 7.263 1.00 72.41 H new ATOM 0 HD12 LEU A 102 10.337 15.250 8.564 1.00 72.41 H new ATOM 0 HD13 LEU A 102 9.308 13.837 8.231 1.00 72.41 H new ATOM 0 HD21 LEU A 102 6.722 15.456 7.801 1.00 51.40 H new ATOM 0 HD22 LEU A 102 6.809 13.979 8.791 1.00 51.40 H new ATOM 0 HD23 LEU A 102 6.179 15.487 9.496 1.00 51.40 H new ATOM 1563 N PRO A 103 10.600 17.690 12.058 1.00 74.23 N ATOM 1564 CA PRO A 103 10.488 19.088 12.484 1.00 32.35 C ATOM 1565 C PRO A 103 9.992 19.997 11.366 1.00 50.53 C ATOM 1566 O PRO A 103 10.352 19.821 10.202 1.00 61.43 O ATOM 1567 CB PRO A 103 11.921 19.455 12.876 1.00 22.35 C ATOM 1568 CG PRO A 103 12.779 18.529 12.085 1.00 42.10 C ATOM 1569 CD PRO A 103 12.001 17.248 11.960 1.00 41.42 C ATOM 0 HA PRO A 103 9.766 19.211 13.291 1.00 32.35 H new ATOM 0 HB2 PRO A 103 12.141 20.496 12.641 1.00 22.35 H new ATOM 0 HB3 PRO A 103 12.083 19.328 13.946 1.00 22.35 H new ATOM 0 HG2 PRO A 103 13.003 18.947 11.103 1.00 42.10 H new ATOM 0 HG3 PRO A 103 13.733 18.359 12.584 1.00 42.10 H new ATOM 0 HD2 PRO A 103 12.199 16.748 11.012 1.00 41.42 H new ATOM 0 HD3 PRO A 103 12.257 16.544 12.752 1.00 41.42 H new ATOM 1577 N LYS A 104 9.164 20.972 11.725 1.00 12.33 N ATOM 1578 CA LYS A 104 8.619 21.912 10.753 1.00 42.15 C ATOM 1579 C LYS A 104 9.305 23.270 10.865 1.00 61.13 C ATOM 1580 O LYS A 104 9.866 23.625 11.902 1.00 54.33 O ATOM 1581 CB LYS A 104 7.111 22.072 10.957 1.00 50.34 C ATOM 1582 CG LYS A 104 6.703 22.187 12.415 1.00 3.02 C ATOM 1583 CD LYS A 104 6.248 20.849 12.974 1.00 42.31 C ATOM 1584 CE LYS A 104 4.766 20.863 13.317 1.00 45.52 C ATOM 1585 NZ LYS A 104 4.528 21.262 14.732 1.00 64.02 N ATOM 0 H LYS A 104 8.855 21.132 12.684 1.00 12.33 H new ATOM 0 HA LYS A 104 8.804 21.512 9.756 1.00 42.15 H new ATOM 0 HB2 LYS A 104 6.773 22.960 10.423 1.00 50.34 H new ATOM 0 HB3 LYS A 104 6.600 21.218 10.512 1.00 50.34 H new ATOM 0 HG2 LYS A 104 7.543 22.560 13.001 1.00 3.02 H new ATOM 0 HG3 LYS A 104 5.898 22.916 12.512 1.00 3.02 H new ATOM 0 HD2 LYS A 104 6.447 20.063 12.246 1.00 42.31 H new ATOM 0 HD3 LYS A 104 6.827 20.610 13.866 1.00 42.31 H new ATOM 0 HE2 LYS A 104 4.246 21.553 12.653 1.00 45.52 H new ATOM 0 HE3 LYS A 104 4.343 19.873 13.143 1.00 45.52 H new ATOM 0 HZ1 LYS A 104 3.587 21.696 14.817 1.00 64.02 H new ATOM 0 HZ2 LYS A 104 4.578 20.422 15.343 1.00 64.02 H new ATOM 0 HZ3 LYS A 104 5.253 21.947 15.026 1.00 64.02 H new ATOM 1599 N PRO A 105 9.260 24.049 9.774 1.00 71.45 N ATOM 1600 CA PRO A 105 8.596 23.636 8.533 1.00 22.14 C ATOM 1601 C PRO A 105 9.344 22.514 7.822 1.00 72.45 C ATOM 1602 O PRO A 105 10.570 22.544 7.710 1.00 55.14 O ATOM 1603 CB PRO A 105 8.608 24.909 7.684 1.00 41.20 C ATOM 1604 CG PRO A 105 9.765 25.695 8.196 1.00 2.42 C ATOM 1605 CD PRO A 105 9.854 25.392 9.666 1.00 31.23 C ATOM 0 HA PRO A 105 7.597 23.240 8.717 1.00 22.14 H new ATOM 0 HB2 PRO A 105 8.724 24.678 6.625 1.00 41.20 H new ATOM 0 HB3 PRO A 105 7.675 25.463 7.789 1.00 41.20 H new ATOM 0 HG2 PRO A 105 10.685 25.414 7.683 1.00 2.42 H new ATOM 0 HG3 PRO A 105 9.618 26.762 8.026 1.00 2.42 H new ATOM 0 HD2 PRO A 105 10.886 25.404 10.017 1.00 31.23 H new ATOM 0 HD3 PRO A 105 9.306 26.123 10.261 1.00 31.23 H new ATOM 1613 N PHE A 106 8.598 21.524 7.341 1.00 23.12 N ATOM 1614 CA PHE A 106 9.191 20.391 6.640 1.00 22.01 C ATOM 1615 C PHE A 106 8.689 20.318 5.201 1.00 13.42 C ATOM 1616 O PHE A 106 7.654 20.893 4.864 1.00 14.41 O ATOM 1617 CB PHE A 106 8.869 19.086 7.371 1.00 12.13 C ATOM 1618 CG PHE A 106 7.453 18.623 7.175 1.00 4.24 C ATOM 1619 CD1 PHE A 106 6.451 19.034 8.039 1.00 75.30 C ATOM 1620 CD2 PHE A 106 7.126 17.778 6.128 1.00 54.15 C ATOM 1621 CE1 PHE A 106 5.148 18.608 7.861 1.00 14.54 C ATOM 1622 CE2 PHE A 106 5.824 17.350 5.945 1.00 61.14 C ATOM 1623 CZ PHE A 106 4.834 17.767 6.812 1.00 33.43 C ATOM 0 H PHE A 106 7.582 21.484 7.424 1.00 23.12 H new ATOM 0 HA PHE A 106 10.272 20.532 6.622 1.00 22.01 H new ATOM 0 HB2 PHE A 106 9.549 18.307 7.025 1.00 12.13 H new ATOM 0 HB3 PHE A 106 9.055 19.220 8.437 1.00 12.13 H new ATOM 0 HD1 PHE A 106 6.690 19.694 8.860 1.00 75.30 H new ATOM 0 HD2 PHE A 106 7.897 17.449 5.446 1.00 54.15 H new ATOM 0 HE1 PHE A 106 4.376 18.933 8.542 1.00 14.54 H new ATOM 0 HE2 PHE A 106 5.582 16.690 5.125 1.00 61.14 H new ATOM 0 HZ PHE A 106 3.816 17.436 6.670 1.00 33.43 H new ATOM 1633 N ASP A 107 9.430 19.609 4.357 1.00 35.55 N ATOM 1634 CA ASP A 107 9.060 19.460 2.955 1.00 61.54 C ATOM 1635 C ASP A 107 8.142 18.257 2.759 1.00 11.12 C ATOM 1636 O ASP A 107 8.564 17.110 2.912 1.00 12.42 O ATOM 1637 CB ASP A 107 10.312 19.307 2.089 1.00 52.11 C ATOM 1638 CG ASP A 107 11.142 20.575 2.043 1.00 32.10 C ATOM 1639 OD1 ASP A 107 10.577 21.643 1.727 1.00 10.34 O ATOM 1640 OD2 ASP A 107 12.356 20.499 2.324 1.00 61.15 O ATOM 0 H ASP A 107 10.291 19.128 4.619 1.00 35.55 H new ATOM 0 HA ASP A 107 8.523 20.358 2.650 1.00 61.54 H new ATOM 0 HB2 ASP A 107 10.921 18.491 2.477 1.00 52.11 H new ATOM 0 HB3 ASP A 107 10.018 19.031 1.076 1.00 52.11 H new ATOM 1645 N ILE A 108 6.885 18.527 2.422 1.00 44.32 N ATOM 1646 CA ILE A 108 5.908 17.468 2.206 1.00 62.52 C ATOM 1647 C ILE A 108 6.445 16.412 1.245 1.00 23.13 C ATOM 1648 O ILE A 108 6.045 15.249 1.298 1.00 71.12 O ATOM 1649 CB ILE A 108 4.585 18.026 1.649 1.00 5.42 C ATOM 1650 CG1 ILE A 108 4.770 18.488 0.202 1.00 23.01 C ATOM 1651 CG2 ILE A 108 4.088 19.173 2.517 1.00 31.30 C ATOM 1652 CD1 ILE A 108 5.643 19.716 0.066 1.00 25.33 C ATOM 0 H ILE A 108 6.520 19.471 2.293 1.00 44.32 H new ATOM 0 HA ILE A 108 5.720 17.011 3.177 1.00 62.52 H new ATOM 0 HB ILE A 108 3.838 17.233 1.665 1.00 5.42 H new ATOM 0 HG12 ILE A 108 5.208 17.675 -0.377 1.00 23.01 H new ATOM 0 HG13 ILE A 108 3.792 18.698 -0.232 1.00 23.01 H new ATOM 0 HG21 ILE A 108 3.152 19.557 2.111 1.00 31.30 H new ATOM 0 HG22 ILE A 108 3.923 18.815 3.533 1.00 31.30 H new ATOM 0 HG23 ILE A 108 4.832 19.969 2.529 1.00 31.30 H new ATOM 0 HD11 ILE A 108 5.730 19.986 -0.986 1.00 25.33 H new ATOM 0 HD12 ILE A 108 5.196 20.543 0.617 1.00 25.33 H new ATOM 0 HD13 ILE A 108 6.633 19.505 0.469 1.00 25.33 H new ATOM 1664 N ASP A 109 7.355 16.825 0.370 1.00 62.11 N ATOM 1665 CA ASP A 109 7.950 15.914 -0.601 1.00 44.33 C ATOM 1666 C ASP A 109 8.546 14.693 0.093 1.00 44.54 C ATOM 1667 O ASP A 109 8.550 13.594 -0.460 1.00 51.23 O ATOM 1668 CB ASP A 109 9.030 16.633 -1.412 1.00 11.53 C ATOM 1669 CG ASP A 109 8.971 16.290 -2.887 1.00 51.43 C ATOM 1670 OD1 ASP A 109 8.444 15.210 -3.224 1.00 64.41 O ATOM 1671 OD2 ASP A 109 9.452 17.103 -3.705 1.00 62.53 O ATOM 0 H ASP A 109 7.697 17.784 0.313 1.00 62.11 H new ATOM 0 HA ASP A 109 7.163 15.578 -1.276 1.00 44.33 H new ATOM 0 HB2 ASP A 109 8.917 17.710 -1.288 1.00 11.53 H new ATOM 0 HB3 ASP A 109 10.012 16.368 -1.019 1.00 11.53 H new ATOM 1676 N GLU A 110 9.050 14.896 1.306 1.00 23.11 N ATOM 1677 CA GLU A 110 9.651 13.811 2.074 1.00 53.32 C ATOM 1678 C GLU A 110 8.590 13.057 2.870 1.00 22.43 C ATOM 1679 O GLU A 110 8.767 11.886 3.206 1.00 70.13 O ATOM 1680 CB GLU A 110 10.722 14.358 3.020 1.00 55.50 C ATOM 1681 CG GLU A 110 11.815 13.355 3.347 1.00 50.42 C ATOM 1682 CD GLU A 110 12.738 13.096 2.172 1.00 25.24 C ATOM 1683 OE1 GLU A 110 12.316 12.394 1.230 1.00 73.31 O ATOM 1684 OE2 GLU A 110 13.883 13.594 2.196 1.00 62.04 O ATOM 0 H GLU A 110 9.054 15.800 1.778 1.00 23.11 H new ATOM 0 HA GLU A 110 10.116 13.118 1.373 1.00 53.32 H new ATOM 0 HB2 GLU A 110 11.174 15.242 2.571 1.00 55.50 H new ATOM 0 HB3 GLU A 110 10.246 14.679 3.947 1.00 55.50 H new ATOM 0 HG2 GLU A 110 12.400 13.723 4.190 1.00 50.42 H new ATOM 0 HG3 GLU A 110 11.359 12.416 3.661 1.00 50.42 H new ATOM 1691 N ALA A 111 7.488 13.737 3.170 1.00 63.41 N ATOM 1692 CA ALA A 111 6.399 13.131 3.925 1.00 13.13 C ATOM 1693 C ALA A 111 5.653 12.101 3.084 1.00 62.03 C ATOM 1694 O ALA A 111 5.386 10.989 3.539 1.00 71.33 O ATOM 1695 CB ALA A 111 5.440 14.204 4.421 1.00 62.21 C ATOM 0 H ALA A 111 7.326 14.708 2.902 1.00 63.41 H new ATOM 0 HA ALA A 111 6.829 12.617 4.785 1.00 13.13 H new ATOM 0 HB1 ALA A 111 4.631 13.737 4.983 1.00 62.21 H new ATOM 0 HB2 ALA A 111 5.976 14.901 5.066 1.00 62.21 H new ATOM 0 HB3 ALA A 111 5.025 14.743 3.569 1.00 62.21 H new ATOM 1701 N VAL A 112 5.319 12.478 1.854 1.00 42.44 N ATOM 1702 CA VAL A 112 4.605 11.587 0.948 1.00 74.21 C ATOM 1703 C VAL A 112 5.289 10.228 0.861 1.00 65.42 C ATOM 1704 O VAL A 112 4.630 9.189 0.836 1.00 54.20 O ATOM 1705 CB VAL A 112 4.501 12.189 -0.466 1.00 72.41 C ATOM 1706 CG1 VAL A 112 3.895 11.182 -1.432 1.00 35.12 C ATOM 1707 CG2 VAL A 112 3.685 13.472 -0.440 1.00 2.53 C ATOM 0 H VAL A 112 5.532 13.395 1.462 1.00 42.44 H new ATOM 0 HA VAL A 112 3.602 11.460 1.355 1.00 74.21 H new ATOM 0 HB VAL A 112 5.505 12.431 -0.813 1.00 72.41 H new ATOM 0 HG11 VAL A 112 3.829 11.625 -2.426 1.00 35.12 H new ATOM 0 HG12 VAL A 112 4.524 10.292 -1.472 1.00 35.12 H new ATOM 0 HG13 VAL A 112 2.897 10.906 -1.091 1.00 35.12 H new ATOM 0 HG21 VAL A 112 3.622 13.884 -1.447 1.00 2.53 H new ATOM 0 HG22 VAL A 112 2.682 13.258 -0.072 1.00 2.53 H new ATOM 0 HG23 VAL A 112 4.166 14.196 0.218 1.00 2.53 H new ATOM 1717 N ALA A 113 6.618 10.242 0.815 1.00 14.22 N ATOM 1718 CA ALA A 113 7.393 9.011 0.734 1.00 72.54 C ATOM 1719 C ALA A 113 7.613 8.408 2.117 1.00 71.31 C ATOM 1720 O ALA A 113 7.827 7.202 2.253 1.00 11.32 O ATOM 1721 CB ALA A 113 8.727 9.271 0.051 1.00 43.12 C ATOM 0 H ALA A 113 7.180 11.093 0.833 1.00 14.22 H new ATOM 0 HA ALA A 113 6.827 8.293 0.140 1.00 72.54 H new ATOM 0 HB1 ALA A 113 9.295 8.342 -0.003 1.00 43.12 H new ATOM 0 HB2 ALA A 113 8.552 9.648 -0.957 1.00 43.12 H new ATOM 0 HB3 ALA A 113 9.290 10.009 0.622 1.00 43.12 H new ATOM 1727 N LEU A 114 7.560 9.253 3.140 1.00 32.35 N ATOM 1728 CA LEU A 114 7.754 8.803 4.515 1.00 41.04 C ATOM 1729 C LEU A 114 6.514 8.082 5.032 1.00 33.41 C ATOM 1730 O LEU A 114 6.597 7.254 5.940 1.00 43.22 O ATOM 1731 CB LEU A 114 8.081 9.992 5.420 1.00 43.03 C ATOM 1732 CG LEU A 114 8.060 9.717 6.924 1.00 74.34 C ATOM 1733 CD1 LEU A 114 9.308 8.957 7.345 1.00 11.43 C ATOM 1734 CD2 LEU A 114 7.936 11.018 7.702 1.00 4.33 C ATOM 0 H LEU A 114 7.384 10.253 3.044 1.00 32.35 H new ATOM 0 HA LEU A 114 8.590 8.104 4.528 1.00 41.04 H new ATOM 0 HB2 LEU A 114 9.070 10.365 5.153 1.00 43.03 H new ATOM 0 HB3 LEU A 114 7.371 10.791 5.207 1.00 43.03 H new ATOM 0 HG LEU A 114 7.191 9.099 7.149 1.00 74.34 H new ATOM 0 HD11 LEU A 114 9.276 8.770 8.418 1.00 11.43 H new ATOM 0 HD12 LEU A 114 9.352 8.007 6.813 1.00 11.43 H new ATOM 0 HD13 LEU A 114 10.192 9.548 7.106 1.00 11.43 H new ATOM 0 HD21 LEU A 114 7.923 10.803 8.771 1.00 4.33 H new ATOM 0 HD22 LEU A 114 8.785 11.662 7.472 1.00 4.33 H new ATOM 0 HD23 LEU A 114 7.011 11.523 7.422 1.00 4.33 H new ATOM 1746 N VAL A 115 5.363 8.399 4.447 1.00 43.51 N ATOM 1747 CA VAL A 115 4.106 7.779 4.846 1.00 15.53 C ATOM 1748 C VAL A 115 4.132 6.275 4.600 1.00 11.22 C ATOM 1749 O VAL A 115 3.710 5.490 5.449 1.00 41.51 O ATOM 1750 CB VAL A 115 2.912 8.392 4.089 1.00 65.35 C ATOM 1751 CG1 VAL A 115 1.624 7.665 4.444 1.00 3.31 C ATOM 1752 CG2 VAL A 115 2.797 9.878 4.390 1.00 54.31 C ATOM 0 H VAL A 115 5.276 9.082 3.695 1.00 43.51 H new ATOM 0 HA VAL A 115 3.985 7.967 5.913 1.00 15.53 H new ATOM 0 HB VAL A 115 3.083 8.274 3.019 1.00 65.35 H new ATOM 0 HG11 VAL A 115 0.792 8.112 3.900 1.00 3.31 H new ATOM 0 HG12 VAL A 115 1.713 6.613 4.171 1.00 3.31 H new ATOM 0 HG13 VAL A 115 1.443 7.748 5.516 1.00 3.31 H new ATOM 0 HG21 VAL A 115 1.949 10.295 3.847 1.00 54.31 H new ATOM 0 HG22 VAL A 115 2.649 10.022 5.460 1.00 54.31 H new ATOM 0 HG23 VAL A 115 3.711 10.384 4.079 1.00 54.31 H new ATOM 1762 N GLU A 116 4.631 5.881 3.433 1.00 71.42 N ATOM 1763 CA GLU A 116 4.712 4.469 3.075 1.00 12.33 C ATOM 1764 C GLU A 116 5.966 3.830 3.664 1.00 44.03 C ATOM 1765 O GLU A 116 6.049 2.609 3.798 1.00 41.11 O ATOM 1766 CB GLU A 116 4.708 4.305 1.554 1.00 33.41 C ATOM 1767 CG GLU A 116 3.687 5.182 0.850 1.00 54.13 C ATOM 1768 CD GLU A 116 2.259 4.816 1.205 1.00 73.32 C ATOM 1769 OE1 GLU A 116 2.000 3.624 1.472 1.00 62.44 O ATOM 1770 OE2 GLU A 116 1.400 5.722 1.216 1.00 14.31 O ATOM 0 H GLU A 116 4.985 6.518 2.720 1.00 71.42 H new ATOM 0 HA GLU A 116 3.839 3.964 3.490 1.00 12.33 H new ATOM 0 HB2 GLU A 116 5.701 4.538 1.169 1.00 33.41 H new ATOM 0 HB3 GLU A 116 4.508 3.262 1.310 1.00 33.41 H new ATOM 0 HG2 GLU A 116 3.867 6.225 1.113 1.00 54.13 H new ATOM 0 HG3 GLU A 116 3.822 5.097 -0.228 1.00 54.13 H new ATOM 1777 N ARG A 117 6.941 4.664 4.012 1.00 14.21 N ATOM 1778 CA ARG A 117 8.192 4.181 4.584 1.00 14.31 C ATOM 1779 C ARG A 117 7.927 3.175 5.700 1.00 15.12 C ATOM 1780 O ARG A 117 8.539 2.109 5.747 1.00 63.04 O ATOM 1781 CB ARG A 117 9.016 5.352 5.123 1.00 32.14 C ATOM 1782 CG ARG A 117 10.297 5.604 4.346 1.00 62.13 C ATOM 1783 CD ARG A 117 11.500 5.703 5.271 1.00 60.12 C ATOM 1784 NE ARG A 117 12.599 6.447 4.662 1.00 64.45 N ATOM 1785 CZ ARG A 117 13.369 5.960 3.695 1.00 64.42 C ATOM 1786 NH1 ARG A 117 13.161 4.736 3.230 1.00 73.43 N ATOM 1787 NH2 ARG A 117 14.350 6.698 3.191 1.00 23.40 N ATOM 0 H ARG A 117 6.888 5.677 3.908 1.00 14.21 H new ATOM 0 HA ARG A 117 8.755 3.682 3.795 1.00 14.31 H new ATOM 0 HB2 ARG A 117 8.405 6.255 5.103 1.00 32.14 H new ATOM 0 HB3 ARG A 117 9.266 5.160 6.166 1.00 32.14 H new ATOM 0 HG2 ARG A 117 10.453 4.798 3.629 1.00 62.13 H new ATOM 0 HG3 ARG A 117 10.201 6.526 3.773 1.00 62.13 H new ATOM 0 HD2 ARG A 117 11.204 6.190 6.200 1.00 60.12 H new ATOM 0 HD3 ARG A 117 11.841 4.701 5.531 1.00 60.12 H new ATOM 0 HE ARG A 117 12.786 7.392 4.997 1.00 64.45 H new ATOM 0 HH11 ARG A 117 12.408 4.165 3.615 1.00 73.43 H new ATOM 0 HH12 ARG A 117 13.754 4.365 2.488 1.00 73.43 H new ATOM 0 HH21 ARG A 117 14.514 7.640 3.546 1.00 23.40 H new ATOM 0 HH22 ARG A 117 14.941 6.323 2.449 1.00 23.40 H new ATOM 1801 N ALA A 118 7.010 3.523 6.598 1.00 71.54 N ATOM 1802 CA ALA A 118 6.663 2.650 7.712 1.00 33.32 C ATOM 1803 C ALA A 118 5.615 1.622 7.299 1.00 62.53 C ATOM 1804 O ALA A 118 5.740 0.436 7.607 1.00 65.15 O ATOM 1805 CB ALA A 118 6.162 3.472 8.890 1.00 33.03 C ATOM 0 H ALA A 118 6.495 4.403 6.575 1.00 71.54 H new ATOM 0 HA ALA A 118 7.562 2.113 8.013 1.00 33.32 H new ATOM 0 HB1 ALA A 118 5.906 2.807 9.715 1.00 33.03 H new ATOM 0 HB2 ALA A 118 6.942 4.163 9.209 1.00 33.03 H new ATOM 0 HB3 ALA A 118 5.278 4.035 8.591 1.00 33.03 H new ATOM 1811 N ILE A 119 4.583 2.083 6.601 1.00 50.21 N ATOM 1812 CA ILE A 119 3.514 1.203 6.145 1.00 24.24 C ATOM 1813 C ILE A 119 4.076 -0.007 5.406 1.00 42.42 C ATOM 1814 O ILE A 119 3.485 -1.086 5.421 1.00 20.20 O ATOM 1815 CB ILE A 119 2.530 1.944 5.221 1.00 32.35 C ATOM 1816 CG1 ILE A 119 1.917 3.142 5.949 1.00 2.10 C ATOM 1817 CG2 ILE A 119 1.441 0.997 4.739 1.00 21.43 C ATOM 1818 CD1 ILE A 119 1.199 4.105 5.029 1.00 21.23 C ATOM 0 H ILE A 119 4.464 3.062 6.339 1.00 50.21 H new ATOM 0 HA ILE A 119 2.981 0.867 7.034 1.00 24.24 H new ATOM 0 HB ILE A 119 3.076 2.311 4.352 1.00 32.35 H new ATOM 0 HG12 ILE A 119 1.216 2.780 6.701 1.00 2.10 H new ATOM 0 HG13 ILE A 119 2.705 3.677 6.479 1.00 2.10 H new ATOM 0 HG21 ILE A 119 0.753 1.535 4.087 1.00 21.43 H new ATOM 0 HG22 ILE A 119 1.893 0.173 4.188 1.00 21.43 H new ATOM 0 HG23 ILE A 119 0.895 0.604 5.597 1.00 21.43 H new ATOM 0 HD11 ILE A 119 0.790 4.929 5.613 1.00 21.23 H new ATOM 0 HD12 ILE A 119 1.901 4.496 4.292 1.00 21.23 H new ATOM 0 HD13 ILE A 119 0.389 3.585 4.518 1.00 21.23 H new ATOM 1830 N SER A 120 5.223 0.182 4.760 1.00 33.42 N ATOM 1831 CA SER A 120 5.864 -0.893 4.013 1.00 64.54 C ATOM 1832 C SER A 120 6.248 -2.045 4.938 1.00 41.54 C ATOM 1833 O SER A 120 6.079 -3.215 4.594 1.00 31.04 O ATOM 1834 CB SER A 120 7.107 -0.370 3.289 1.00 14.55 C ATOM 1835 OG SER A 120 6.917 -0.369 1.885 1.00 20.01 O ATOM 0 H SER A 120 5.726 1.069 4.739 1.00 33.42 H new ATOM 0 HA SER A 120 5.152 -1.264 3.276 1.00 64.54 H new ATOM 0 HB2 SER A 120 7.332 0.641 3.629 1.00 14.55 H new ATOM 0 HB3 SER A 120 7.967 -0.990 3.542 1.00 14.55 H new ATOM 0 HG SER A 120 7.724 -0.029 1.446 1.00 20.01 H new ATOM 1841 N HIS A 121 6.766 -1.703 6.113 1.00 23.12 N ATOM 1842 CA HIS A 121 7.174 -2.707 7.089 1.00 22.24 C ATOM 1843 C HIS A 121 5.992 -3.582 7.496 1.00 51.24 C ATOM 1844 O HIS A 121 6.153 -4.770 7.777 1.00 44.42 O ATOM 1845 CB HIS A 121 7.774 -2.034 8.324 1.00 31.34 C ATOM 1846 CG HIS A 121 8.208 -3.002 9.382 1.00 4.41 C ATOM 1847 ND1 HIS A 121 8.942 -4.136 9.108 1.00 23.44 N ATOM 1848 CD2 HIS A 121 8.010 -2.998 10.721 1.00 53.40 C ATOM 1849 CE1 HIS A 121 9.175 -4.790 10.233 1.00 51.51 C ATOM 1850 NE2 HIS A 121 8.620 -4.119 11.227 1.00 71.15 N ATOM 0 H HIS A 121 6.913 -0.739 6.412 1.00 23.12 H new ATOM 0 HA HIS A 121 7.930 -3.341 6.626 1.00 22.24 H new ATOM 0 HB2 HIS A 121 8.631 -1.433 8.020 1.00 31.34 H new ATOM 0 HB3 HIS A 121 7.039 -1.350 8.748 1.00 31.34 H new ATOM 0 HD2 HIS A 121 7.472 -2.251 11.286 1.00 53.40 H new ATOM 0 HE1 HIS A 121 9.725 -5.715 10.324 1.00 51.51 H new ATOM 0 HE2 HIS A 121 8.641 -4.390 12.210 1.00 71.15 H new ATOM 1858 N TYR A 122 4.805 -2.987 7.525 1.00 12.40 N ATOM 1859 CA TYR A 122 3.596 -3.711 7.900 1.00 11.41 C ATOM 1860 C TYR A 122 2.746 -4.025 6.673 1.00 41.24 C ATOM 1861 O TYR A 122 1.519 -3.952 6.720 1.00 74.31 O ATOM 1862 CB TYR A 122 2.779 -2.896 8.905 1.00 43.24 C ATOM 1863 CG TYR A 122 3.606 -2.323 10.034 1.00 53.34 C ATOM 1864 CD1 TYR A 122 4.214 -1.079 9.913 1.00 31.04 C ATOM 1865 CD2 TYR A 122 3.779 -3.025 11.220 1.00 43.31 C ATOM 1866 CE1 TYR A 122 4.970 -0.552 10.942 1.00 45.51 C ATOM 1867 CE2 TYR A 122 4.533 -2.504 12.254 1.00 32.31 C ATOM 1868 CZ TYR A 122 5.127 -1.268 12.110 1.00 14.33 C ATOM 1869 OH TYR A 122 5.879 -0.747 13.138 1.00 42.53 O ATOM 0 H TYR A 122 4.654 -2.005 7.293 1.00 12.40 H new ATOM 0 HA TYR A 122 3.895 -4.652 8.363 1.00 11.41 H new ATOM 0 HB2 TYR A 122 2.282 -2.081 8.380 1.00 43.24 H new ATOM 0 HB3 TYR A 122 1.997 -3.529 9.324 1.00 43.24 H new ATOM 0 HD1 TYR A 122 4.093 -0.515 9.000 1.00 31.04 H new ATOM 0 HD2 TYR A 122 3.317 -3.994 11.336 1.00 43.31 H new ATOM 0 HE1 TYR A 122 5.436 0.416 10.832 1.00 45.51 H new ATOM 0 HE2 TYR A 122 4.656 -3.062 13.170 1.00 32.31 H new ATOM 0 HH TYR A 122 5.888 -1.377 13.889 1.00 42.53 H new ATOM 1879 N GLN A 123 3.410 -4.374 5.575 1.00 33.44 N ATOM 1880 CA GLN A 123 2.716 -4.700 4.335 1.00 41.12 C ATOM 1881 C GLN A 123 1.637 -5.751 4.574 1.00 65.30 C ATOM 1882 O GLN A 123 1.936 -6.935 4.730 1.00 53.13 O ATOM 1883 CB GLN A 123 3.710 -5.202 3.286 1.00 4.53 C ATOM 1884 CG GLN A 123 3.979 -4.200 2.174 1.00 32.43 C ATOM 1885 CD GLN A 123 4.644 -4.833 0.968 1.00 52.24 C ATOM 1886 OE1 GLN A 123 4.696 -6.057 0.844 1.00 42.24 O ATOM 1887 NE2 GLN A 123 5.156 -4.000 0.069 1.00 4.25 N ATOM 0 H GLN A 123 4.426 -4.438 5.519 1.00 33.44 H new ATOM 0 HA GLN A 123 2.238 -3.792 3.967 1.00 41.12 H new ATOM 0 HB2 GLN A 123 4.651 -5.448 3.778 1.00 4.53 H new ATOM 0 HB3 GLN A 123 3.329 -6.124 2.848 1.00 4.53 H new ATOM 0 HG2 GLN A 123 3.039 -3.742 1.867 1.00 32.43 H new ATOM 0 HG3 GLN A 123 4.613 -3.400 2.556 1.00 32.43 H new ATOM 0 HE21 GLN A 123 5.090 -2.992 0.212 1.00 4.25 H new ATOM 0 HE22 GLN A 123 5.615 -4.368 -0.764 1.00 4.25 H new ATOM 1896 N GLU A 124 0.384 -5.310 4.602 1.00 33.11 N ATOM 1897 CA GLU A 124 -0.739 -6.214 4.824 1.00 63.23 C ATOM 1898 C GLU A 124 -0.520 -7.056 6.078 1.00 61.05 C ATOM 1899 O GLU A 124 -1.332 -7.920 6.406 1.00 63.52 O ATOM 1900 CB GLU A 124 -0.934 -7.127 3.611 1.00 14.22 C ATOM 1901 CG GLU A 124 -1.086 -6.373 2.300 1.00 31.25 C ATOM 1902 CD GLU A 124 -0.848 -7.255 1.090 1.00 45.41 C ATOM 1903 OE1 GLU A 124 0.324 -7.394 0.680 1.00 20.32 O ATOM 1904 OE2 GLU A 124 -1.831 -7.804 0.552 1.00 34.11 O ATOM 0 H GLU A 124 0.120 -4.333 4.474 1.00 33.11 H new ATOM 0 HA GLU A 124 -1.636 -5.611 4.964 1.00 63.23 H new ATOM 0 HB2 GLU A 124 -0.082 -7.803 3.535 1.00 14.22 H new ATOM 0 HB3 GLU A 124 -1.818 -7.745 3.770 1.00 14.22 H new ATOM 0 HG2 GLU A 124 -2.088 -5.948 2.244 1.00 31.25 H new ATOM 0 HG3 GLU A 124 -0.384 -5.539 2.281 1.00 31.25 H new TER 1911 GLU A 124