USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 814 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 67 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 80 MET CE :methyl -145:sc= -0.4 (180deg=-1.42) USER MOD Set 2.1: A 46 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 17 CYS SG : rot 180:sc= -3.07! USER MOD Set 3.2: A 28 THR OG1 : rot 159:sc= 0.738 USER MOD Set 4.1: A 19 THR OG1 : rot -143:sc= 0.0294 USER MOD Set 4.2: A 31 ASN : amide:sc= -1.4 K(o=-1.4,f=-5!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -166:sc= -0.375 (180deg=-0.847) USER MOD Single : A 7 LYS NZ :NH3+ -166:sc= -0.382 (180deg=-0.95) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -141:sc= 0.479 (180deg=-0.571) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0048 USER MOD Single : A 15 SER OG : rot -85:sc= 1.11 USER MOD Single : A 16 GLN : amide:sc= -0.022 K(o=-0.022,f=-1.3) USER MOD Single : A 18 HIS : no HD1:sc= -0.937 K(o=-0.94,f=-2.2!) USER MOD Single : A 25 LYS NZ :NH3+ -142:sc= -1.64! (180deg=-3.99!) USER MOD Single : A 26 HIS : no HD1:sc= -1.89 X(o=-1.9,f=-2) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc= -0.969 K(o=-0.97,f=-2.3!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 104:sc= 0.954 USER MOD Single : A 42 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.44) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -2.08 USER MOD Single : A 49 THR OG1 : rot -178:sc= -1.13 USER MOD Single : A 52 ASN : amide:sc= -3.81! C(o=-3.8!,f=-6.6!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -1.25 K(o=-1.3,f=-0.24) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 82:sc= -0.743 USER MOD Single : A 65 MET CE :methyl -170:sc= -1.94 (180deg=-2.22!) USER MOD Single : A 70 ASN : amide:sc= -2.19! C(o=-2.2!,f=-2.6!) USER MOD Single : A 72 LYS NZ :NH3+ -145:sc= -0.979 (180deg=-2.9!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 165:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -123:sc= 0.442 (180deg=-0.909) USER MOD Single : A 97 TYR OH : rot -168:sc= -0.508 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -76:sc= 0.0431 USER MOD Single : A 103 ASN : amide:sc= -0.0579 X(o=-0.058,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.135 0.307 -1.355 1.00 24.45 N ATOM 2 CA GLY A 1 1.385 -0.216 -1.882 1.00 4.32 C ATOM 3 C GLY A 1 1.186 -1.606 -2.488 1.00 34.12 C ATOM 4 O GLY A 1 1.443 -2.615 -1.834 1.00 52.20 O ATOM 0 H1 GLY A 1 0.297 1.251 -0.950 1.00 24.45 H new ATOM 0 H2 GLY A 1 -0.564 0.375 -2.122 1.00 24.45 H new ATOM 0 H3 GLY A 1 -0.224 -0.330 -0.616 1.00 24.45 H new ATOM 0 HA2 GLY A 1 1.776 0.462 -2.640 1.00 4.32 H new ATOM 0 HA3 GLY A 1 2.127 -0.266 -1.085 1.00 4.32 H new ATOM 8 N ASP A 2 0.730 -1.614 -3.732 1.00 42.55 N ATOM 9 CA ASP A 2 0.493 -2.864 -4.434 1.00 3.31 C ATOM 10 C ASP A 2 1.821 -3.601 -4.616 1.00 4.41 C ATOM 11 O ASP A 2 2.888 -3.027 -4.400 1.00 51.34 O ATOM 12 CB ASP A 2 -0.102 -2.613 -5.821 1.00 52.41 C ATOM 13 CG ASP A 2 -1.495 -1.981 -5.821 1.00 63.04 C ATOM 14 OD1 ASP A 2 -2.514 -2.679 -5.932 1.00 4.01 O ATOM 15 OD2 ASP A 2 -1.510 -0.696 -5.700 1.00 63.42 O1- ATOM 0 H ASP A 2 0.518 -0.775 -4.272 1.00 42.55 H new ATOM 0 HA ASP A 2 -0.207 -3.455 -3.843 1.00 3.31 H new ATOM 0 HB2 ASP A 2 0.575 -1.965 -6.378 1.00 52.41 H new ATOM 0 HB3 ASP A 2 -0.149 -3.561 -6.357 1.00 52.41 H new ATOM 21 N VAL A 3 1.713 -4.861 -5.012 1.00 75.13 N ATOM 22 CA VAL A 3 2.894 -5.681 -5.226 1.00 75.34 C ATOM 23 C VAL A 3 3.020 -6.008 -6.716 1.00 13.43 C ATOM 24 O VAL A 3 4.075 -5.802 -7.312 1.00 74.44 O ATOM 25 CB VAL A 3 2.828 -6.931 -4.344 1.00 52.14 C ATOM 26 CG1 VAL A 3 3.526 -6.691 -3.003 1.00 34.45 C ATOM 27 CG2 VAL A 3 1.381 -7.381 -4.137 1.00 44.44 C ATOM 0 H VAL A 3 0.827 -5.334 -5.190 1.00 75.13 H new ATOM 0 HA VAL A 3 3.794 -5.139 -4.935 1.00 75.34 H new ATOM 0 HB VAL A 3 3.356 -7.733 -4.859 1.00 52.14 H new ATOM 0 HG11 VAL A 3 3.465 -7.593 -2.395 1.00 34.45 H new ATOM 0 HG12 VAL A 3 4.572 -6.440 -3.177 1.00 34.45 H new ATOM 0 HG13 VAL A 3 3.038 -5.868 -2.481 1.00 34.45 H new ATOM 0 HG21 VAL A 3 1.363 -8.270 -3.507 1.00 44.44 H new ATOM 0 HG22 VAL A 3 0.817 -6.583 -3.654 1.00 44.44 H new ATOM 0 HG23 VAL A 3 0.930 -7.611 -5.102 1.00 44.44 H new ATOM 37 N GLU A 4 1.928 -6.509 -7.274 1.00 51.25 N ATOM 38 CA GLU A 4 1.903 -6.866 -8.682 1.00 54.55 C ATOM 39 C GLU A 4 2.626 -5.804 -9.511 1.00 41.14 C ATOM 40 O GLU A 4 3.467 -6.130 -10.348 1.00 54.03 O ATOM 41 CB GLU A 4 0.467 -7.060 -9.173 1.00 30.12 C ATOM 42 CG GLU A 4 -0.114 -8.381 -8.661 1.00 30.34 C ATOM 43 CD GLU A 4 -1.537 -8.592 -9.181 1.00 64.34 C ATOM 44 OE1 GLU A 4 -2.052 -7.753 -9.936 1.00 52.43 O ATOM 45 OE2 GLU A 4 -2.111 -9.672 -8.773 1.00 73.12 O1- ATOM 0 H GLU A 4 1.054 -6.676 -6.776 1.00 51.25 H new ATOM 0 HA GLU A 4 2.426 -7.814 -8.806 1.00 54.55 H new ATOM 0 HB2 GLU A 4 -0.153 -6.230 -8.833 1.00 30.12 H new ATOM 0 HB3 GLU A 4 0.447 -7.048 -10.263 1.00 30.12 H new ATOM 0 HG2 GLU A 4 0.520 -9.209 -8.979 1.00 30.34 H new ATOM 0 HG3 GLU A 4 -0.117 -8.383 -7.571 1.00 30.34 H new ATOM 53 N LYS A 5 2.275 -4.553 -9.249 1.00 75.51 N ATOM 54 CA LYS A 5 2.880 -3.441 -9.960 1.00 13.03 C ATOM 55 C LYS A 5 4.404 -3.553 -9.873 1.00 44.51 C ATOM 56 O LYS A 5 5.102 -3.354 -10.866 1.00 62.31 O ATOM 57 CB LYS A 5 2.332 -2.110 -9.441 1.00 32.11 C ATOM 58 CG LYS A 5 1.057 -1.714 -10.188 1.00 40.51 C ATOM 59 CD LYS A 5 1.380 -1.197 -11.591 1.00 51.43 C ATOM 60 CE LYS A 5 0.102 -0.932 -12.387 1.00 34.33 C ATOM 61 NZ LYS A 5 -0.973 -1.858 -11.966 1.00 61.11 N1+ ATOM 0 H LYS A 5 1.579 -4.286 -8.553 1.00 75.51 H new ATOM 0 HA LYS A 5 2.616 -3.478 -11.017 1.00 13.03 H new ATOM 0 HB2 LYS A 5 2.123 -2.190 -8.374 1.00 32.11 H new ATOM 0 HB3 LYS A 5 3.085 -1.331 -9.561 1.00 32.11 H new ATOM 0 HG2 LYS A 5 0.391 -2.574 -10.258 1.00 40.51 H new ATOM 0 HG3 LYS A 5 0.527 -0.945 -9.627 1.00 40.51 H new ATOM 0 HD2 LYS A 5 1.964 -0.279 -11.518 1.00 51.43 H new ATOM 0 HD3 LYS A 5 1.996 -1.926 -12.118 1.00 51.43 H new ATOM 0 HE2 LYS A 5 -0.219 0.099 -12.238 1.00 34.33 H new ATOM 0 HE3 LYS A 5 0.298 -1.054 -13.452 1.00 34.33 H new ATOM 0 HZ1 LYS A 5 -1.746 -1.832 -12.662 1.00 61.11 H new ATOM 0 HZ2 LYS A 5 -0.594 -2.825 -11.905 1.00 61.11 H new ATOM 0 HZ3 LYS A 5 -1.336 -1.569 -11.035 1.00 61.11 H new ATOM 74 N GLY A 6 4.874 -3.871 -8.676 1.00 33.14 N ATOM 75 CA GLY A 6 6.302 -4.012 -8.446 1.00 41.25 C ATOM 76 C GLY A 6 6.794 -5.392 -8.888 1.00 61.35 C ATOM 77 O GLY A 6 7.993 -5.598 -9.072 1.00 72.04 O ATOM 0 H GLY A 6 4.291 -4.035 -7.855 1.00 33.14 H new ATOM 0 HA2 GLY A 6 6.840 -3.238 -8.992 1.00 41.25 H new ATOM 0 HA3 GLY A 6 6.520 -3.866 -7.388 1.00 41.25 H new ATOM 81 N LYS A 7 5.844 -6.301 -9.047 1.00 54.25 N ATOM 82 CA LYS A 7 6.166 -7.656 -9.464 1.00 13.43 C ATOM 83 C LYS A 7 6.358 -7.685 -10.982 1.00 11.22 C ATOM 84 O LYS A 7 7.087 -8.527 -11.503 1.00 40.24 O ATOM 85 CB LYS A 7 5.108 -8.638 -8.959 1.00 12.01 C ATOM 86 CG LYS A 7 5.689 -10.047 -8.820 1.00 61.14 C ATOM 87 CD LYS A 7 5.037 -10.797 -7.657 1.00 21.42 C ATOM 88 CE LYS A 7 3.838 -11.618 -8.137 1.00 53.44 C ATOM 89 NZ LYS A 7 2.932 -10.780 -8.956 1.00 74.43 N1+ ATOM 0 H LYS A 7 4.851 -6.126 -8.895 1.00 54.25 H new ATOM 0 HA LYS A 7 7.106 -7.979 -9.017 1.00 13.43 H new ATOM 0 HB2 LYS A 7 4.725 -8.302 -7.995 1.00 12.01 H new ATOM 0 HB3 LYS A 7 4.264 -8.655 -9.649 1.00 12.01 H new ATOM 0 HG2 LYS A 7 5.535 -10.601 -9.746 1.00 61.14 H new ATOM 0 HG3 LYS A 7 6.766 -9.986 -8.660 1.00 61.14 H new ATOM 0 HD2 LYS A 7 5.769 -11.455 -7.188 1.00 21.42 H new ATOM 0 HD3 LYS A 7 4.714 -10.086 -6.896 1.00 21.42 H new ATOM 0 HE2 LYS A 7 4.184 -12.470 -8.722 1.00 53.44 H new ATOM 0 HE3 LYS A 7 3.297 -12.019 -7.280 1.00 53.44 H new ATOM 0 HZ1 LYS A 7 2.021 -11.268 -9.075 1.00 74.43 H new ATOM 0 HZ2 LYS A 7 2.777 -9.868 -8.480 1.00 74.43 H new ATOM 0 HZ3 LYS A 7 3.361 -10.615 -9.889 1.00 74.43 H new ATOM 102 N LYS A 8 5.690 -6.755 -11.649 1.00 45.33 N ATOM 103 CA LYS A 8 5.777 -6.664 -13.096 1.00 12.01 C ATOM 104 C LYS A 8 6.996 -5.821 -13.477 1.00 54.24 C ATOM 105 O LYS A 8 7.481 -5.899 -14.604 1.00 40.24 O ATOM 106 CB LYS A 8 4.463 -6.143 -13.681 1.00 14.42 C ATOM 107 CG LYS A 8 3.364 -7.204 -13.592 1.00 34.03 C ATOM 108 CD LYS A 8 3.458 -8.189 -14.758 1.00 33.34 C ATOM 109 CE LYS A 8 3.446 -7.454 -16.100 1.00 60.43 C ATOM 110 NZ LYS A 8 2.960 -8.346 -17.175 1.00 31.43 N1+ ATOM 0 H LYS A 8 5.086 -6.058 -11.213 1.00 45.33 H new ATOM 0 HA LYS A 8 5.923 -7.653 -13.531 1.00 12.01 H new ATOM 0 HB2 LYS A 8 4.152 -5.247 -13.145 1.00 14.42 H new ATOM 0 HB3 LYS A 8 4.613 -5.856 -14.722 1.00 14.42 H new ATOM 0 HG2 LYS A 8 3.449 -7.743 -12.648 1.00 34.03 H new ATOM 0 HG3 LYS A 8 2.387 -6.722 -13.597 1.00 34.03 H new ATOM 0 HD2 LYS A 8 4.372 -8.777 -14.669 1.00 33.34 H new ATOM 0 HD3 LYS A 8 2.624 -8.889 -14.715 1.00 33.34 H new ATOM 0 HE2 LYS A 8 2.807 -6.574 -16.033 1.00 60.43 H new ATOM 0 HE3 LYS A 8 4.450 -7.102 -16.338 1.00 60.43 H new ATOM 0 HZ1 LYS A 8 2.958 -7.831 -18.079 1.00 31.43 H new ATOM 0 HZ2 LYS A 8 3.586 -9.173 -17.249 1.00 31.43 H new ATOM 0 HZ3 LYS A 8 1.994 -8.661 -16.954 1.00 31.43 H new ATOM 123 N ILE A 9 7.456 -5.035 -12.515 1.00 72.22 N ATOM 124 CA ILE A 9 8.609 -4.179 -12.735 1.00 63.35 C ATOM 125 C ILE A 9 9.869 -4.890 -12.239 1.00 74.32 C ATOM 126 O ILE A 9 10.983 -4.500 -12.584 1.00 34.45 O ATOM 127 CB ILE A 9 8.387 -2.806 -12.097 1.00 33.41 C ATOM 128 CG1 ILE A 9 7.276 -2.039 -12.817 1.00 13.20 C ATOM 129 CG2 ILE A 9 9.691 -2.009 -12.042 1.00 10.42 C ATOM 130 CD1 ILE A 9 6.553 -1.091 -11.858 1.00 3.44 C ATOM 0 H ILE A 9 7.051 -4.973 -11.581 1.00 72.22 H new ATOM 0 HA ILE A 9 8.746 -3.992 -13.800 1.00 63.35 H new ATOM 0 HB ILE A 9 8.059 -2.957 -11.069 1.00 33.41 H new ATOM 0 HG12 ILE A 9 7.699 -1.471 -13.645 1.00 13.20 H new ATOM 0 HG13 ILE A 9 6.562 -2.743 -13.245 1.00 13.20 H new ATOM 0 HG21 ILE A 9 9.505 -1.038 -11.584 1.00 10.42 H new ATOM 0 HG22 ILE A 9 10.426 -2.554 -11.450 1.00 10.42 H new ATOM 0 HG23 ILE A 9 10.073 -1.866 -13.053 1.00 10.42 H new ATOM 0 HD11 ILE A 9 5.768 -0.558 -12.395 1.00 3.44 H new ATOM 0 HD12 ILE A 9 6.110 -1.665 -11.044 1.00 3.44 H new ATOM 0 HD13 ILE A 9 7.265 -0.373 -11.450 1.00 3.44 H new ATOM 142 N PHE A 10 9.651 -5.922 -11.437 1.00 22.51 N ATOM 143 CA PHE A 10 10.756 -6.692 -10.891 1.00 30.30 C ATOM 144 C PHE A 10 11.260 -7.723 -11.904 1.00 54.03 C ATOM 145 O PHE A 10 12.432 -8.096 -11.884 1.00 62.33 O ATOM 146 CB PHE A 10 10.223 -7.425 -9.658 1.00 71.01 C ATOM 147 CG PHE A 10 11.033 -8.665 -9.272 1.00 62.01 C ATOM 148 CD1 PHE A 10 12.266 -8.526 -8.717 1.00 53.24 C ATOM 149 CD2 PHE A 10 10.520 -9.906 -9.487 1.00 65.44 C ATOM 150 CE1 PHE A 10 13.018 -9.676 -8.359 1.00 45.31 C ATOM 151 CE2 PHE A 10 11.271 -11.056 -9.129 1.00 63.41 C ATOM 152 CZ PHE A 10 12.505 -10.917 -8.573 1.00 72.24 C ATOM 0 H PHE A 10 8.726 -6.243 -11.152 1.00 22.51 H new ATOM 0 HA PHE A 10 11.585 -6.029 -10.644 1.00 30.30 H new ATOM 0 HB2 PHE A 10 10.211 -6.735 -8.815 1.00 71.01 H new ATOM 0 HB3 PHE A 10 9.190 -7.721 -9.842 1.00 71.01 H new ATOM 0 HD1 PHE A 10 12.674 -7.540 -8.548 1.00 53.24 H new ATOM 0 HD2 PHE A 10 9.541 -10.016 -9.930 1.00 65.44 H new ATOM 0 HE1 PHE A 10 13.997 -9.565 -7.917 1.00 45.31 H new ATOM 0 HE2 PHE A 10 10.863 -12.042 -9.298 1.00 63.41 H new ATOM 0 HZ PHE A 10 13.077 -11.792 -8.302 1.00 72.24 H new ATOM 162 N ILE A 11 10.349 -8.154 -12.764 1.00 5.51 N ATOM 163 CA ILE A 11 10.687 -9.134 -13.783 1.00 1.20 C ATOM 164 C ILE A 11 11.340 -8.424 -14.970 1.00 50.30 C ATOM 165 O ILE A 11 12.554 -8.503 -15.154 1.00 63.10 O ATOM 166 CB ILE A 11 9.456 -9.959 -14.160 1.00 12.30 C ATOM 167 CG1 ILE A 11 8.881 -10.678 -12.938 1.00 73.50 C ATOM 168 CG2 ILE A 11 9.776 -10.932 -15.299 1.00 74.44 C ATOM 169 CD1 ILE A 11 7.584 -11.410 -13.291 1.00 31.21 C ATOM 0 H ILE A 11 9.378 -7.843 -12.776 1.00 5.51 H new ATOM 0 HA ILE A 11 11.415 -9.848 -13.399 1.00 1.20 H new ATOM 0 HB ILE A 11 8.687 -9.277 -14.524 1.00 12.30 H new ATOM 0 HG12 ILE A 11 9.611 -11.390 -12.554 1.00 73.50 H new ATOM 0 HG13 ILE A 11 8.691 -9.956 -12.143 1.00 73.50 H new ATOM 0 HG21 ILE A 11 8.884 -11.507 -15.548 1.00 74.44 H new ATOM 0 HG22 ILE A 11 10.103 -10.372 -16.175 1.00 74.44 H new ATOM 0 HG23 ILE A 11 10.569 -11.611 -14.986 1.00 74.44 H new ATOM 0 HD11 ILE A 11 7.197 -11.912 -12.405 1.00 31.21 H new ATOM 0 HD12 ILE A 11 6.848 -10.692 -13.652 1.00 31.21 H new ATOM 0 HD13 ILE A 11 7.783 -12.148 -14.068 1.00 31.21 H new ATOM 181 N MET A 12 10.506 -7.747 -15.745 1.00 24.33 N ATOM 182 CA MET A 12 10.986 -7.024 -16.910 1.00 1.20 C ATOM 183 C MET A 12 12.341 -6.370 -16.629 1.00 33.53 C ATOM 184 O MET A 12 13.158 -6.211 -17.536 1.00 42.35 O ATOM 185 CB MET A 12 9.970 -5.949 -17.300 1.00 60.40 C ATOM 186 CG MET A 12 8.933 -6.503 -18.279 1.00 23.04 C ATOM 187 SD MET A 12 7.571 -7.227 -17.382 1.00 15.25 S ATOM 188 CE MET A 12 6.941 -8.344 -18.623 1.00 65.42 C ATOM 0 H MET A 12 9.500 -7.684 -15.589 1.00 24.33 H new ATOM 0 HA MET A 12 11.109 -7.733 -17.729 1.00 1.20 H new ATOM 0 HB2 MET A 12 9.469 -5.576 -16.407 1.00 60.40 H new ATOM 0 HB3 MET A 12 10.487 -5.103 -17.753 1.00 60.40 H new ATOM 0 HG2 MET A 12 8.569 -5.705 -18.926 1.00 23.04 H new ATOM 0 HG3 MET A 12 9.393 -7.252 -18.924 1.00 23.04 H new ATOM 0 HE1 MET A 12 6.080 -8.882 -18.225 1.00 65.42 H new ATOM 0 HE2 MET A 12 6.640 -7.777 -19.504 1.00 65.42 H new ATOM 0 HE3 MET A 12 7.718 -9.057 -18.899 1.00 65.42 H new ATOM 198 N LYS A 13 12.537 -6.007 -15.370 1.00 62.15 N ATOM 199 CA LYS A 13 13.778 -5.373 -14.958 1.00 62.04 C ATOM 200 C LYS A 13 14.690 -6.419 -14.313 1.00 3.45 C ATOM 201 O LYS A 13 15.740 -6.753 -14.858 1.00 2.42 O ATOM 202 CB LYS A 13 13.491 -4.169 -14.060 1.00 42.23 C ATOM 203 CG LYS A 13 12.458 -3.241 -14.702 1.00 64.41 C ATOM 204 CD LYS A 13 12.533 -1.836 -14.098 1.00 24.41 C ATOM 205 CE LYS A 13 13.517 -0.958 -14.874 1.00 3.12 C ATOM 206 NZ LYS A 13 14.119 0.057 -13.981 1.00 43.44 N1+ ATOM 0 H LYS A 13 11.857 -6.140 -14.621 1.00 62.15 H new ATOM 0 HA LYS A 13 14.310 -4.976 -15.823 1.00 62.04 H new ATOM 0 HB2 LYS A 13 13.126 -4.512 -13.092 1.00 42.23 H new ATOM 0 HB3 LYS A 13 14.414 -3.620 -13.876 1.00 42.23 H new ATOM 0 HG2 LYS A 13 12.630 -3.188 -15.777 1.00 64.41 H new ATOM 0 HG3 LYS A 13 11.458 -3.650 -14.559 1.00 64.41 H new ATOM 0 HD2 LYS A 13 11.544 -1.378 -14.110 1.00 24.41 H new ATOM 0 HD3 LYS A 13 12.842 -1.901 -13.055 1.00 24.41 H new ATOM 0 HE2 LYS A 13 14.300 -1.577 -15.311 1.00 3.12 H new ATOM 0 HE3 LYS A 13 13.002 -0.466 -15.699 1.00 3.12 H new ATOM 0 HZ1 LYS A 13 14.211 0.958 -14.492 1.00 43.44 H new ATOM 0 HZ2 LYS A 13 13.511 0.191 -13.148 1.00 43.44 H new ATOM 0 HZ3 LYS A 13 15.059 -0.264 -13.675 1.00 43.44 H new ATOM 219 N CYS A 14 14.253 -6.907 -13.161 1.00 12.24 N ATOM 220 CA CYS A 14 15.018 -7.908 -12.435 1.00 32.54 C ATOM 221 C CYS A 14 14.529 -9.291 -12.869 1.00 32.32 C ATOM 222 O CYS A 14 14.017 -10.056 -12.053 1.00 22.25 O ATOM 223 CB CYS A 14 14.910 -7.713 -10.920 1.00 14.53 C ATOM 224 SG CYS A 14 14.510 -6.007 -10.392 1.00 23.33 S ATOM 0 H CYS A 14 13.380 -6.629 -12.713 1.00 12.24 H new ATOM 0 HA CYS A 14 16.077 -7.806 -12.673 1.00 32.54 H new ATOM 0 HB2 CYS A 14 14.144 -8.386 -10.535 1.00 14.53 H new ATOM 0 HB3 CYS A 14 15.854 -8.008 -10.462 1.00 14.53 H new ATOM 0 HG CYS A 14 14.441 -5.959 -9.095 1.00 23.33 H new ATOM 229 N SER A 15 14.705 -9.571 -14.151 1.00 63.31 N ATOM 230 CA SER A 15 14.290 -10.849 -14.703 1.00 52.21 C ATOM 231 C SER A 15 15.489 -11.794 -14.795 1.00 14.32 C ATOM 232 O SER A 15 16.621 -11.350 -14.987 1.00 24.42 O ATOM 233 CB SER A 15 13.646 -10.672 -16.079 1.00 24.11 C ATOM 234 OG SER A 15 14.170 -9.541 -16.771 1.00 62.04 O ATOM 0 H SER A 15 15.130 -8.934 -14.825 1.00 63.31 H new ATOM 0 HA SER A 15 13.545 -11.283 -14.037 1.00 52.21 H new ATOM 0 HB2 SER A 15 13.810 -11.570 -16.675 1.00 24.11 H new ATOM 0 HB3 SER A 15 12.568 -10.559 -15.963 1.00 24.11 H new ATOM 0 HG SER A 15 13.689 -8.734 -16.491 1.00 62.04 H new ATOM 240 N GLN A 16 15.202 -13.080 -14.654 1.00 3.25 N ATOM 241 CA GLN A 16 16.243 -14.091 -14.719 1.00 0.11 C ATOM 242 C GLN A 16 17.510 -13.595 -14.020 1.00 64.21 C ATOM 243 O GLN A 16 18.621 -13.906 -14.446 1.00 52.24 O ATOM 244 CB GLN A 16 16.535 -14.485 -16.168 1.00 55.01 C ATOM 245 CG GLN A 16 17.220 -13.342 -16.920 1.00 51.45 C ATOM 246 CD GLN A 16 17.919 -13.856 -18.180 1.00 65.25 C ATOM 247 OE1 GLN A 16 17.863 -15.025 -18.519 1.00 12.42 O ATOM 248 NE2 GLN A 16 18.578 -12.917 -18.854 1.00 43.12 N ATOM 0 H GLN A 16 14.263 -13.445 -14.495 1.00 3.25 H new ATOM 0 HA GLN A 16 15.890 -14.981 -14.199 1.00 0.11 H new ATOM 0 HB2 GLN A 16 17.171 -15.370 -16.187 1.00 55.01 H new ATOM 0 HB3 GLN A 16 15.605 -14.750 -16.671 1.00 55.01 H new ATOM 0 HG2 GLN A 16 16.482 -12.587 -17.191 1.00 51.45 H new ATOM 0 HG3 GLN A 16 17.947 -12.857 -16.268 1.00 51.45 H new ATOM 0 HE21 GLN A 16 18.585 -11.955 -18.514 1.00 43.12 H new ATOM 0 HE22 GLN A 16 19.077 -13.159 -19.710 1.00 43.12 H new ATOM 257 N CYS A 17 17.300 -12.832 -12.958 1.00 41.41 N ATOM 258 CA CYS A 17 18.413 -12.289 -12.195 1.00 75.41 C ATOM 259 C CYS A 17 18.083 -12.420 -10.707 1.00 51.53 C ATOM 260 O CYS A 17 18.881 -12.950 -9.935 1.00 52.44 O ATOM 261 CB CYS A 17 18.714 -10.841 -12.587 1.00 31.53 C ATOM 262 SG CYS A 17 19.890 -10.652 -13.977 1.00 22.31 S ATOM 0 H CYS A 17 16.377 -12.576 -12.607 1.00 41.41 H new ATOM 0 HA CYS A 17 19.319 -12.852 -12.417 1.00 75.41 H new ATOM 0 HB2 CYS A 17 17.778 -10.349 -12.852 1.00 31.53 H new ATOM 0 HB3 CYS A 17 19.114 -10.319 -11.717 1.00 31.53 H new ATOM 0 HG CYS A 17 20.070 -9.389 -14.225 1.00 22.31 H new ATOM 267 N HIS A 18 16.907 -11.929 -10.347 1.00 64.33 N ATOM 268 CA HIS A 18 16.463 -11.984 -8.965 1.00 50.04 C ATOM 269 C HIS A 18 15.215 -12.863 -8.863 1.00 45.23 C ATOM 270 O HIS A 18 14.407 -12.912 -9.788 1.00 13.43 O ATOM 271 CB HIS A 18 16.243 -10.576 -8.408 1.00 30.21 C ATOM 272 CG HIS A 18 17.521 -9.831 -8.101 1.00 12.01 C ATOM 273 ND1 HIS A 18 18.475 -10.310 -7.220 1.00 53.33 N ATOM 274 CD2 HIS A 18 17.991 -8.639 -8.570 1.00 63.45 C ATOM 275 CE1 HIS A 18 19.469 -9.436 -7.166 1.00 1.34 C ATOM 276 NE2 HIS A 18 19.168 -8.402 -8.003 1.00 4.41 N ATOM 0 H HIS A 18 16.247 -11.491 -10.989 1.00 64.33 H new ATOM 0 HA HIS A 18 17.238 -12.439 -8.348 1.00 50.04 H new ATOM 0 HB2 HIS A 18 15.661 -9.999 -9.127 1.00 30.21 H new ATOM 0 HB3 HIS A 18 15.647 -10.645 -7.498 1.00 30.21 H new ATOM 0 HD2 HIS A 18 17.491 -7.998 -9.281 1.00 63.45 H new ATOM 0 HE1 HIS A 18 20.361 -9.526 -6.565 1.00 1.34 H new ATOM 0 HE2 HIS A 18 19.751 -7.581 -8.167 1.00 4.41 H new ATOM 284 N THR A 19 15.097 -13.537 -7.727 1.00 3.13 N ATOM 285 CA THR A 19 13.961 -14.412 -7.490 1.00 10.30 C ATOM 286 C THR A 19 13.073 -13.845 -6.382 1.00 53.54 C ATOM 287 O THR A 19 11.863 -14.070 -6.375 1.00 63.55 O ATOM 288 CB THR A 19 14.499 -15.812 -7.184 1.00 22.40 C ATOM 289 OG1 THR A 19 15.620 -15.574 -6.336 1.00 12.31 O ATOM 290 CG2 THR A 19 15.100 -16.491 -8.416 1.00 53.02 C ATOM 0 H THR A 19 15.769 -13.494 -6.961 1.00 3.13 H new ATOM 0 HA THR A 19 13.322 -14.479 -8.371 1.00 10.30 H new ATOM 0 HB THR A 19 13.695 -16.431 -6.785 1.00 22.40 H new ATOM 0 HG1 THR A 19 16.332 -16.213 -6.549 1.00 12.31 H new ATOM 0 HG21 THR A 19 15.467 -17.481 -8.144 1.00 53.02 H new ATOM 0 HG22 THR A 19 14.336 -16.587 -9.188 1.00 53.02 H new ATOM 0 HG23 THR A 19 15.926 -15.890 -8.796 1.00 53.02 H new ATOM 298 N VAL A 20 13.708 -13.122 -5.471 1.00 23.12 N ATOM 299 CA VAL A 20 12.990 -12.521 -4.359 1.00 24.13 C ATOM 300 C VAL A 20 12.103 -13.579 -3.699 1.00 41.42 C ATOM 301 O VAL A 20 11.083 -13.251 -3.096 1.00 25.44 O ATOM 302 CB VAL A 20 12.205 -11.300 -4.842 1.00 32.22 C ATOM 303 CG1 VAL A 20 13.104 -10.346 -5.629 1.00 62.12 C ATOM 304 CG2 VAL A 20 10.992 -11.723 -5.674 1.00 12.44 C ATOM 0 H VAL A 20 14.711 -12.939 -5.480 1.00 23.12 H new ATOM 0 HA VAL A 20 13.688 -12.164 -3.602 1.00 24.13 H new ATOM 0 HB VAL A 20 11.840 -10.767 -3.964 1.00 32.22 H new ATOM 0 HG11 VAL A 20 12.521 -9.487 -5.961 1.00 62.12 H new ATOM 0 HG12 VAL A 20 13.920 -10.006 -4.992 1.00 62.12 H new ATOM 0 HG13 VAL A 20 13.513 -10.864 -6.497 1.00 62.12 H new ATOM 0 HG21 VAL A 20 10.451 -10.837 -6.005 1.00 12.44 H new ATOM 0 HG22 VAL A 20 11.327 -12.290 -6.543 1.00 12.44 H new ATOM 0 HG23 VAL A 20 10.333 -12.344 -5.067 1.00 12.44 H new ATOM 314 N GLU A 21 12.526 -14.828 -3.834 1.00 11.10 N ATOM 315 CA GLU A 21 11.784 -15.936 -3.258 1.00 25.04 C ATOM 316 C GLU A 21 12.567 -16.553 -2.097 1.00 12.30 C ATOM 317 O GLU A 21 13.781 -16.725 -2.185 1.00 52.20 O ATOM 318 CB GLU A 21 11.458 -16.988 -4.320 1.00 44.12 C ATOM 319 CG GLU A 21 10.179 -16.624 -5.078 1.00 55.24 C ATOM 320 CD GLU A 21 8.936 -17.029 -4.284 1.00 31.53 C ATOM 321 OE1 GLU A 21 9.050 -17.443 -3.121 1.00 42.20 O ATOM 322 OE2 GLU A 21 7.819 -16.902 -4.917 1.00 50.23 O1- ATOM 0 H GLU A 21 13.373 -15.097 -4.334 1.00 11.10 H new ATOM 0 HA GLU A 21 10.840 -15.553 -2.871 1.00 25.04 H new ATOM 0 HB2 GLU A 21 12.289 -17.072 -5.021 1.00 44.12 H new ATOM 0 HB3 GLU A 21 11.340 -17.963 -3.847 1.00 44.12 H new ATOM 0 HG2 GLU A 21 10.159 -15.551 -5.270 1.00 55.24 H new ATOM 0 HG3 GLU A 21 10.173 -17.121 -6.048 1.00 55.24 H new ATOM 365 N LYS A 25 16.170 -19.592 -6.083 1.00 43.10 N ATOM 366 CA LYS A 25 17.531 -20.061 -6.281 1.00 25.50 C ATOM 367 C LYS A 25 18.405 -18.894 -6.744 1.00 31.53 C ATOM 368 O LYS A 25 17.892 -17.864 -7.179 1.00 63.34 O ATOM 369 CB LYS A 25 17.552 -21.259 -7.231 1.00 45.42 C ATOM 370 CG LYS A 25 17.577 -20.802 -8.690 1.00 33.12 C ATOM 371 CD LYS A 25 17.500 -21.998 -9.642 1.00 51.15 C ATOM 372 CE LYS A 25 16.057 -22.481 -9.798 1.00 20.45 C ATOM 373 NZ LYS A 25 15.629 -23.233 -8.597 1.00 61.34 N1+ ATOM 0 HA LYS A 25 17.950 -20.421 -5.342 1.00 25.50 H new ATOM 0 HB2 LYS A 25 18.427 -21.876 -7.025 1.00 45.42 H new ATOM 0 HB3 LYS A 25 16.674 -21.881 -7.056 1.00 45.42 H new ATOM 0 HG2 LYS A 25 16.741 -20.129 -8.878 1.00 33.12 H new ATOM 0 HG3 LYS A 25 18.490 -20.238 -8.882 1.00 33.12 H new ATOM 0 HD2 LYS A 25 17.901 -21.719 -10.616 1.00 51.15 H new ATOM 0 HD3 LYS A 25 18.120 -22.810 -9.263 1.00 51.15 H new ATOM 0 HE2 LYS A 25 15.397 -21.628 -9.955 1.00 20.45 H new ATOM 0 HE3 LYS A 25 15.973 -23.115 -10.680 1.00 20.45 H new ATOM 0 HZ1 LYS A 25 15.033 -24.035 -8.884 1.00 61.34 H new ATOM 0 HZ2 LYS A 25 16.467 -23.587 -8.092 1.00 61.34 H new ATOM 0 HZ3 LYS A 25 15.087 -22.606 -7.970 1.00 61.34 H new ATOM 386 N HIS A 26 19.709 -19.093 -6.634 1.00 35.31 N ATOM 387 CA HIS A 26 20.660 -18.070 -7.037 1.00 31.21 C ATOM 388 C HIS A 26 21.038 -18.270 -8.506 1.00 31.35 C ATOM 389 O HIS A 26 21.417 -19.368 -8.909 1.00 63.11 O ATOM 390 CB HIS A 26 21.876 -18.062 -6.108 1.00 60.42 C ATOM 391 CG HIS A 26 21.526 -18.042 -4.638 1.00 74.52 C ATOM 392 ND1 HIS A 26 22.104 -17.160 -3.743 1.00 53.11 N ATOM 393 CD2 HIS A 26 20.652 -18.803 -3.920 1.00 43.12 C ATOM 394 CE1 HIS A 26 21.594 -17.389 -2.541 1.00 4.22 C ATOM 395 NE2 HIS A 26 20.694 -18.409 -2.653 1.00 45.54 N ATOM 0 H HIS A 26 20.131 -19.948 -6.271 1.00 35.31 H new ATOM 0 HA HIS A 26 20.200 -17.086 -6.947 1.00 31.21 H new ATOM 0 HB2 HIS A 26 22.484 -18.943 -6.314 1.00 60.42 H new ATOM 0 HB3 HIS A 26 22.490 -17.191 -6.337 1.00 60.42 H new ATOM 0 HD2 HIS A 26 20.030 -19.593 -4.315 1.00 43.12 H new ATOM 0 HE1 HIS A 26 21.846 -16.861 -1.633 1.00 4.22 H new ATOM 0 HE2 HIS A 26 20.145 -18.803 -1.889 1.00 45.54 H new ATOM 403 N LYS A 27 20.921 -17.190 -9.265 1.00 43.43 N ATOM 404 CA LYS A 27 21.246 -17.233 -10.681 1.00 42.03 C ATOM 405 C LYS A 27 22.274 -16.145 -10.997 1.00 2.45 C ATOM 406 O LYS A 27 23.468 -16.329 -10.769 1.00 22.32 O ATOM 407 CB LYS A 27 19.973 -17.141 -11.525 1.00 4.12 C ATOM 408 CG LYS A 27 19.155 -18.430 -11.426 1.00 44.14 C ATOM 409 CD LYS A 27 18.313 -18.643 -12.686 1.00 74.23 C ATOM 410 CE LYS A 27 17.157 -17.643 -12.749 1.00 2.05 C ATOM 411 NZ LYS A 27 16.115 -18.113 -13.689 1.00 22.44 N1+ ATOM 0 H LYS A 27 20.606 -16.281 -8.927 1.00 43.43 H new ATOM 0 HA LYS A 27 21.703 -18.188 -10.939 1.00 42.03 H new ATOM 0 HB2 LYS A 27 19.370 -16.297 -11.190 1.00 4.12 H new ATOM 0 HB3 LYS A 27 20.235 -16.952 -12.566 1.00 4.12 H new ATOM 0 HG2 LYS A 27 19.823 -19.279 -11.283 1.00 44.14 H new ATOM 0 HG3 LYS A 27 18.504 -18.386 -10.553 1.00 44.14 H new ATOM 0 HD2 LYS A 27 18.941 -18.534 -13.570 1.00 74.23 H new ATOM 0 HD3 LYS A 27 17.920 -19.660 -12.697 1.00 74.23 H new ATOM 0 HE2 LYS A 27 16.727 -17.512 -11.756 1.00 2.05 H new ATOM 0 HE3 LYS A 27 17.528 -16.669 -13.066 1.00 2.05 H new ATOM 0 HZ1 LYS A 27 15.338 -17.422 -13.719 1.00 22.44 H new ATOM 0 HZ2 LYS A 27 16.525 -18.215 -14.639 1.00 22.44 H new ATOM 0 HZ3 LYS A 27 15.749 -19.032 -13.370 1.00 22.44 H new ATOM 424 N THR A 28 21.771 -15.035 -11.517 1.00 45.00 N ATOM 425 CA THR A 28 22.631 -13.917 -11.867 1.00 61.12 C ATOM 426 C THR A 28 23.130 -13.212 -10.604 1.00 45.43 C ATOM 427 O THR A 28 24.212 -12.627 -10.602 1.00 2.21 O ATOM 428 CB THR A 28 21.851 -12.997 -12.808 1.00 35.30 C ATOM 429 OG1 THR A 28 21.124 -13.892 -13.645 1.00 61.25 O ATOM 430 CG2 THR A 28 22.762 -12.239 -13.776 1.00 51.31 C ATOM 0 H THR A 28 20.780 -14.886 -11.704 1.00 45.00 H new ATOM 0 HA THR A 28 23.527 -14.255 -12.388 1.00 61.12 H new ATOM 0 HB THR A 28 21.273 -12.284 -12.220 1.00 35.30 H new ATOM 0 HG1 THR A 28 20.363 -13.421 -14.045 1.00 61.25 H new ATOM 0 HG21 THR A 28 22.157 -11.601 -14.421 1.00 51.31 H new ATOM 0 HG22 THR A 28 23.462 -11.624 -13.211 1.00 51.31 H new ATOM 0 HG23 THR A 28 23.316 -12.951 -14.387 1.00 51.31 H new ATOM 438 N GLY A 29 22.318 -13.291 -9.561 1.00 10.45 N ATOM 439 CA GLY A 29 22.663 -12.669 -8.294 1.00 52.43 C ATOM 440 C GLY A 29 22.197 -13.527 -7.116 1.00 73.33 C ATOM 441 O GLY A 29 21.725 -14.646 -7.307 1.00 12.41 O ATOM 0 H GLY A 29 21.421 -13.777 -9.567 1.00 10.45 H new ATOM 0 HA2 GLY A 29 23.742 -12.524 -8.238 1.00 52.43 H new ATOM 0 HA3 GLY A 29 22.205 -11.682 -8.233 1.00 52.43 H new ATOM 445 N PRO A 30 22.351 -12.954 -5.892 1.00 64.11 N ATOM 446 CA PRO A 30 21.951 -13.655 -4.683 1.00 53.23 C ATOM 447 C PRO A 30 20.429 -13.658 -4.529 1.00 41.02 C ATOM 448 O PRO A 30 19.753 -12.742 -4.994 1.00 1.24 O ATOM 449 CB PRO A 30 22.661 -12.926 -3.554 1.00 21.01 C ATOM 450 CG PRO A 30 23.057 -11.571 -4.116 1.00 61.15 C ATOM 451 CD PRO A 30 22.907 -11.631 -5.627 1.00 30.43 C ATOM 0 HA PRO A 30 22.228 -14.709 -4.696 1.00 53.23 H new ATOM 0 HB2 PRO A 30 22.007 -12.814 -2.689 1.00 21.01 H new ATOM 0 HB3 PRO A 30 23.537 -13.482 -3.221 1.00 21.01 H new ATOM 0 HG2 PRO A 30 22.425 -10.786 -3.701 1.00 61.15 H new ATOM 0 HG3 PRO A 30 24.085 -11.330 -3.844 1.00 61.15 H new ATOM 0 HD2 PRO A 30 22.247 -10.844 -5.991 1.00 30.43 H new ATOM 0 HD3 PRO A 30 23.867 -11.498 -6.126 1.00 30.43 H new ATOM 459 N ASN A 31 19.934 -14.697 -3.874 1.00 42.21 N ATOM 460 CA ASN A 31 18.505 -14.832 -3.652 1.00 54.23 C ATOM 461 C ASN A 31 18.041 -13.750 -2.675 1.00 24.12 C ATOM 462 O ASN A 31 18.627 -13.580 -1.607 1.00 22.02 O ATOM 463 CB ASN A 31 18.166 -16.195 -3.045 1.00 1.42 C ATOM 464 CG ASN A 31 16.673 -16.298 -2.728 1.00 33.11 C ATOM 465 OD1 ASN A 31 16.173 -15.724 -1.774 1.00 34.33 O ATOM 466 ND2 ASN A 31 15.992 -17.062 -3.577 1.00 24.23 N ATOM 0 H ASN A 31 20.498 -15.455 -3.489 1.00 42.21 H new ATOM 0 HA ASN A 31 18.004 -14.733 -4.615 1.00 54.23 H new ATOM 0 HB2 ASN A 31 18.450 -16.987 -3.739 1.00 1.42 H new ATOM 0 HB3 ASN A 31 18.746 -16.346 -2.135 1.00 1.42 H new ATOM 0 HD21 ASN A 31 14.989 -17.196 -3.450 1.00 24.23 H new ATOM 0 HD22 ASN A 31 16.473 -17.514 -4.355 1.00 24.23 H new ATOM 473 N LEU A 32 16.993 -13.045 -3.075 1.00 74.54 N ATOM 474 CA LEU A 32 16.444 -11.985 -2.248 1.00 5.51 C ATOM 475 C LEU A 32 15.427 -12.580 -1.271 1.00 71.53 C ATOM 476 O LEU A 32 14.220 -12.479 -1.487 1.00 22.25 O ATOM 477 CB LEU A 32 15.874 -10.864 -3.121 1.00 14.14 C ATOM 478 CG LEU A 32 16.846 -9.743 -3.492 1.00 30.32 C ATOM 479 CD1 LEU A 32 18.159 -10.312 -4.032 1.00 72.11 C ATOM 480 CD2 LEU A 32 16.202 -8.760 -4.470 1.00 23.23 C ATOM 0 H LEU A 32 16.509 -13.188 -3.962 1.00 74.54 H new ATOM 0 HA LEU A 32 17.230 -11.524 -1.650 1.00 5.51 H new ATOM 0 HB2 LEU A 32 15.492 -11.306 -4.041 1.00 14.14 H new ATOM 0 HB3 LEU A 32 15.023 -10.423 -2.602 1.00 14.14 H new ATOM 0 HG LEU A 32 17.085 -9.185 -2.587 1.00 30.32 H new ATOM 0 HD11 LEU A 32 18.832 -9.494 -4.288 1.00 72.11 H new ATOM 0 HD12 LEU A 32 18.624 -10.940 -3.271 1.00 72.11 H new ATOM 0 HD13 LEU A 32 17.958 -10.909 -4.922 1.00 72.11 H new ATOM 0 HD21 LEU A 32 16.915 -7.973 -4.717 1.00 23.23 H new ATOM 0 HD22 LEU A 32 15.914 -9.287 -5.379 1.00 23.23 H new ATOM 0 HD23 LEU A 32 15.318 -8.318 -4.012 1.00 23.23 H new ATOM 492 N HIS A 33 15.952 -13.188 -0.218 1.00 14.50 N ATOM 493 CA HIS A 33 15.106 -13.799 0.793 1.00 13.44 C ATOM 494 C HIS A 33 15.266 -13.051 2.118 1.00 62.54 C ATOM 495 O HIS A 33 14.283 -12.601 2.704 1.00 23.12 O ATOM 496 CB HIS A 33 15.402 -15.295 0.917 1.00 5.43 C ATOM 497 CG HIS A 33 14.892 -15.918 2.194 1.00 22.13 C ATOM 498 ND1 HIS A 33 13.833 -15.392 2.914 1.00 13.25 N ATOM 499 CD2 HIS A 33 15.303 -17.028 2.871 1.00 23.11 C ATOM 500 CE1 HIS A 33 13.627 -16.158 3.975 1.00 64.43 C ATOM 501 NE2 HIS A 33 14.540 -17.172 3.947 1.00 50.42 N ATOM 0 H HIS A 33 16.953 -13.271 -0.043 1.00 14.50 H new ATOM 0 HA HIS A 33 14.061 -13.718 0.495 1.00 13.44 H new ATOM 0 HB2 HIS A 33 14.957 -15.815 0.068 1.00 5.43 H new ATOM 0 HB3 HIS A 33 16.479 -15.448 0.855 1.00 5.43 H new ATOM 0 HD1 HIS A 33 13.302 -14.557 2.669 1.00 13.25 H new ATOM 0 HD2 HIS A 33 16.113 -17.680 2.580 1.00 23.11 H new ATOM 0 HE1 HIS A 33 12.869 -16.007 4.730 1.00 64.43 H new ATOM 509 N GLY A 34 16.513 -12.941 2.551 1.00 75.21 N ATOM 510 CA GLY A 34 16.816 -12.255 3.795 1.00 51.24 C ATOM 511 C GLY A 34 17.356 -10.849 3.530 1.00 41.32 C ATOM 512 O GLY A 34 18.041 -10.273 4.374 1.00 23.54 O ATOM 0 H GLY A 34 17.326 -13.316 2.062 1.00 75.21 H new ATOM 0 HA2 GLY A 34 15.917 -12.193 4.408 1.00 51.24 H new ATOM 0 HA3 GLY A 34 17.549 -12.829 4.361 1.00 51.24 H new ATOM 516 N LEU A 35 17.027 -10.336 2.353 1.00 32.14 N ATOM 517 CA LEU A 35 17.472 -9.008 1.965 1.00 14.33 C ATOM 518 C LEU A 35 17.334 -8.060 3.158 1.00 14.32 C ATOM 519 O LEU A 35 18.328 -7.698 3.786 1.00 23.33 O ATOM 520 CB LEU A 35 16.724 -8.536 0.716 1.00 1.34 C ATOM 521 CG LEU A 35 16.665 -7.022 0.501 1.00 70.13 C ATOM 522 CD1 LEU A 35 18.002 -6.492 -0.024 1.00 23.22 C ATOM 523 CD2 LEU A 35 15.499 -6.644 -0.414 1.00 20.03 C ATOM 0 H LEU A 35 16.458 -10.816 1.656 1.00 32.14 H new ATOM 0 HA LEU A 35 18.527 -9.025 1.690 1.00 14.33 H new ATOM 0 HB2 LEU A 35 17.194 -8.989 -0.157 1.00 1.34 H new ATOM 0 HB3 LEU A 35 15.704 -8.916 0.762 1.00 1.34 H new ATOM 0 HG LEU A 35 16.485 -6.545 1.465 1.00 70.13 H new ATOM 0 HD11 LEU A 35 17.934 -5.414 -0.169 1.00 23.22 H new ATOM 0 HD12 LEU A 35 18.789 -6.713 0.697 1.00 23.22 H new ATOM 0 HD13 LEU A 35 18.236 -6.972 -0.975 1.00 23.22 H new ATOM 0 HD21 LEU A 35 15.479 -5.563 -0.551 1.00 20.03 H new ATOM 0 HD22 LEU A 35 15.624 -7.130 -1.382 1.00 20.03 H new ATOM 0 HD23 LEU A 35 14.562 -6.970 0.037 1.00 20.03 H new ATOM 535 N PHE A 36 16.093 -7.686 3.436 1.00 5.35 N ATOM 536 CA PHE A 36 15.813 -6.787 4.543 1.00 22.24 C ATOM 537 C PHE A 36 16.215 -7.419 5.877 1.00 61.41 C ATOM 538 O PHE A 36 15.590 -8.378 6.327 1.00 2.04 O ATOM 539 CB PHE A 36 14.304 -6.538 4.544 1.00 52.13 C ATOM 540 CG PHE A 36 13.850 -5.464 3.554 1.00 23.51 C ATOM 541 CD1 PHE A 36 13.690 -5.775 2.240 1.00 33.42 C ATOM 542 CD2 PHE A 36 13.605 -4.198 3.987 1.00 23.43 C ATOM 543 CE1 PHE A 36 13.268 -4.778 1.320 1.00 1.43 C ATOM 544 CE2 PHE A 36 13.184 -3.201 3.067 1.00 12.33 C ATOM 545 CZ PHE A 36 13.024 -3.513 1.754 1.00 2.54 C ATOM 0 H PHE A 36 15.271 -7.989 2.914 1.00 5.35 H new ATOM 0 HA PHE A 36 16.378 -5.863 4.425 1.00 22.24 H new ATOM 0 HB2 PHE A 36 13.792 -7.472 4.311 1.00 52.13 H new ATOM 0 HB3 PHE A 36 13.995 -6.246 5.548 1.00 52.13 H new ATOM 0 HD1 PHE A 36 13.884 -6.780 1.896 1.00 33.42 H new ATOM 0 HD2 PHE A 36 13.731 -3.951 5.031 1.00 23.43 H new ATOM 0 HE1 PHE A 36 13.141 -5.025 0.276 1.00 1.43 H new ATOM 0 HE2 PHE A 36 12.991 -2.195 3.411 1.00 12.33 H new ATOM 0 HZ PHE A 36 12.703 -2.755 1.055 1.00 2.54 H new ATOM 555 N GLY A 37 17.255 -6.854 6.473 1.00 15.13 N ATOM 556 CA GLY A 37 17.748 -7.350 7.747 1.00 44.23 C ATOM 557 C GLY A 37 18.913 -8.320 7.544 1.00 13.23 C ATOM 558 O GLY A 37 19.024 -9.320 8.252 1.00 33.14 O ATOM 0 H GLY A 37 17.770 -6.058 6.097 1.00 15.13 H new ATOM 0 HA2 GLY A 37 18.071 -6.513 8.367 1.00 44.23 H new ATOM 0 HA3 GLY A 37 16.942 -7.851 8.283 1.00 44.23 H new ATOM 562 N ARG A 38 19.754 -7.991 6.573 1.00 71.12 N ATOM 563 CA ARG A 38 20.907 -8.820 6.268 1.00 72.15 C ATOM 564 C ARG A 38 22.037 -7.967 5.691 1.00 53.24 C ATOM 565 O ARG A 38 21.960 -7.520 4.548 1.00 74.14 O ATOM 566 CB ARG A 38 20.545 -9.920 5.268 1.00 13.11 C ATOM 567 CG ARG A 38 21.778 -10.745 4.891 1.00 61.12 C ATOM 568 CD ARG A 38 21.373 -12.108 4.325 1.00 23.15 C ATOM 569 NE ARG A 38 21.203 -12.017 2.858 1.00 44.20 N ATOM 570 CZ ARG A 38 20.696 -13.007 2.092 1.00 15.22 C ATOM 571 NH1 ARG A 38 20.305 -14.173 2.650 1.00 2.45 N ATOM 572 NH2 ARG A 38 20.589 -12.818 0.790 1.00 43.34 N1+ ATOM 0 H ARG A 38 19.659 -7.161 5.988 1.00 71.12 H new ATOM 0 HA ARG A 38 21.237 -9.284 7.198 1.00 72.15 H new ATOM 0 HB2 ARG A 38 19.784 -10.572 5.698 1.00 13.11 H new ATOM 0 HB3 ARG A 38 20.113 -9.474 4.372 1.00 13.11 H new ATOM 0 HG2 ARG A 38 22.371 -10.203 4.155 1.00 61.12 H new ATOM 0 HG3 ARG A 38 22.409 -10.885 5.769 1.00 61.12 H new ATOM 0 HD2 ARG A 38 22.133 -12.851 4.566 1.00 23.15 H new ATOM 0 HD3 ARG A 38 20.444 -12.441 4.787 1.00 23.15 H new ATOM 0 HE ARG A 38 21.486 -11.153 2.396 1.00 44.20 H new ATOM 0 HH11 ARG A 38 20.392 -14.311 3.657 1.00 2.45 H new ATOM 0 HH12 ARG A 38 19.923 -14.916 2.065 1.00 2.45 H new ATOM 0 HH21 ARG A 38 20.887 -11.934 0.377 1.00 43.34 H new ATOM 0 HH22 ARG A 38 20.208 -13.556 0.197 1.00 43.34 H new ATOM 585 N LYS A 39 23.061 -7.765 6.508 1.00 1.25 N ATOM 586 CA LYS A 39 24.206 -6.973 6.092 1.00 23.04 C ATOM 587 C LYS A 39 24.620 -7.386 4.679 1.00 30.04 C ATOM 588 O LYS A 39 24.160 -8.405 4.166 1.00 3.20 O ATOM 589 CB LYS A 39 25.333 -7.081 7.121 1.00 65.41 C ATOM 590 CG LYS A 39 26.150 -5.789 7.176 1.00 52.45 C ATOM 591 CD LYS A 39 26.712 -5.555 8.581 1.00 54.13 C ATOM 592 CE LYS A 39 25.757 -4.699 9.416 1.00 12.24 C ATOM 593 NZ LYS A 39 26.036 -3.261 9.210 1.00 2.13 N1+ ATOM 0 H LYS A 39 23.121 -8.136 7.456 1.00 1.25 H new ATOM 0 HA LYS A 39 23.944 -5.916 6.050 1.00 23.04 H new ATOM 0 HB2 LYS A 39 24.913 -7.292 8.105 1.00 65.41 H new ATOM 0 HB3 LYS A 39 25.984 -7.917 6.866 1.00 65.41 H new ATOM 0 HG2 LYS A 39 26.968 -5.841 6.457 1.00 52.45 H new ATOM 0 HG3 LYS A 39 25.523 -4.946 6.886 1.00 52.45 H new ATOM 0 HD2 LYS A 39 26.875 -6.512 9.076 1.00 54.13 H new ATOM 0 HD3 LYS A 39 27.682 -5.062 8.512 1.00 54.13 H new ATOM 0 HE2 LYS A 39 24.726 -4.919 9.139 1.00 12.24 H new ATOM 0 HE3 LYS A 39 25.864 -4.949 10.472 1.00 12.24 H new ATOM 0 HZ1 LYS A 39 25.379 -2.694 9.784 1.00 2.13 H new ATOM 0 HZ2 LYS A 39 27.014 -3.053 9.496 1.00 2.13 H new ATOM 0 HZ3 LYS A 39 25.911 -3.024 8.205 1.00 2.13 H new ATOM 606 N THR A 40 25.485 -6.574 4.089 1.00 35.13 N ATOM 607 CA THR A 40 25.966 -6.842 2.745 1.00 75.44 C ATOM 608 C THR A 40 27.022 -7.950 2.767 1.00 43.11 C ATOM 609 O THR A 40 27.722 -8.124 3.763 1.00 72.31 O ATOM 610 CB THR A 40 26.479 -5.526 2.155 1.00 74.21 C ATOM 611 OG1 THR A 40 27.210 -4.929 3.222 1.00 42.25 O ATOM 612 CG2 THR A 40 25.351 -4.531 1.875 1.00 52.34 C ATOM 0 H THR A 40 25.865 -5.730 4.518 1.00 35.13 H new ATOM 0 HA THR A 40 25.165 -7.212 2.105 1.00 75.44 H new ATOM 0 HB THR A 40 27.022 -5.729 1.232 1.00 74.21 H new ATOM 0 HG1 THR A 40 28.171 -5.031 3.058 1.00 42.25 H new ATOM 0 HG21 THR A 40 25.769 -3.615 1.458 1.00 52.34 H new ATOM 0 HG22 THR A 40 24.650 -4.967 1.163 1.00 52.34 H new ATOM 0 HG23 THR A 40 24.829 -4.301 2.804 1.00 52.34 H new ATOM 620 N GLY A 41 27.103 -8.668 1.657 1.00 61.55 N ATOM 621 CA GLY A 41 28.061 -9.754 1.537 1.00 62.50 C ATOM 622 C GLY A 41 27.935 -10.729 2.709 1.00 21.13 C ATOM 623 O GLY A 41 28.900 -10.961 3.435 1.00 23.11 O ATOM 0 H GLY A 41 26.521 -8.519 0.833 1.00 61.55 H new ATOM 0 HA2 GLY A 41 27.899 -10.285 0.599 1.00 62.50 H new ATOM 0 HA3 GLY A 41 29.072 -9.349 1.503 1.00 62.50 H new ATOM 627 N GLN A 42 26.736 -11.273 2.858 1.00 20.11 N ATOM 628 CA GLN A 42 26.470 -12.218 3.929 1.00 50.44 C ATOM 629 C GLN A 42 26.233 -13.617 3.357 1.00 23.41 C ATOM 630 O GLN A 42 26.733 -14.604 3.893 1.00 22.22 O ATOM 631 CB GLN A 42 25.281 -11.764 4.778 1.00 22.15 C ATOM 632 CG GLN A 42 25.617 -10.490 5.556 1.00 43.33 C ATOM 633 CD GLN A 42 26.833 -10.704 6.461 1.00 74.22 C ATOM 634 OE1 GLN A 42 26.731 -11.197 7.573 1.00 53.24 O ATOM 635 NE2 GLN A 42 27.983 -10.308 5.924 1.00 55.35 N ATOM 0 H GLN A 42 25.937 -11.077 2.254 1.00 20.11 H new ATOM 0 HA GLN A 42 27.345 -12.256 4.578 1.00 50.44 H new ATOM 0 HB2 GLN A 42 24.418 -11.585 4.136 1.00 22.15 H new ATOM 0 HB3 GLN A 42 25.002 -12.556 5.473 1.00 22.15 H new ATOM 0 HG2 GLN A 42 25.817 -9.676 4.859 1.00 43.33 H new ATOM 0 HG3 GLN A 42 24.759 -10.191 6.158 1.00 43.33 H new ATOM 0 HE21 GLN A 42 27.996 -9.903 4.988 1.00 55.35 H new ATOM 0 HE22 GLN A 42 28.852 -10.409 6.448 1.00 55.35 H new ATOM 644 N ALA A 43 25.469 -13.657 2.275 1.00 70.23 N ATOM 645 CA ALA A 43 25.159 -14.918 1.624 1.00 30.12 C ATOM 646 C ALA A 43 26.403 -15.809 1.629 1.00 64.14 C ATOM 647 O ALA A 43 27.295 -15.641 0.801 1.00 13.20 O ATOM 648 CB ALA A 43 24.641 -14.650 0.210 1.00 22.12 C ATOM 0 H ALA A 43 25.056 -12.836 1.833 1.00 70.23 H new ATOM 0 HA ALA A 43 24.373 -15.445 2.165 1.00 30.12 H new ATOM 0 HB1 ALA A 43 24.409 -15.597 -0.278 1.00 22.12 H new ATOM 0 HB2 ALA A 43 23.741 -14.038 0.262 1.00 22.12 H new ATOM 0 HB3 ALA A 43 25.404 -14.124 -0.364 1.00 22.12 H new ATOM 654 N PRO A 44 26.422 -16.763 2.599 1.00 21.12 N ATOM 655 CA PRO A 44 27.542 -17.681 2.724 1.00 3.52 C ATOM 656 C PRO A 44 27.502 -18.747 1.628 1.00 70.11 C ATOM 657 O PRO A 44 28.433 -19.539 1.492 1.00 13.44 O ATOM 658 CB PRO A 44 27.419 -18.263 4.123 1.00 43.33 C ATOM 659 CG PRO A 44 25.986 -18.006 4.557 1.00 50.30 C ATOM 660 CD PRO A 44 25.383 -16.992 3.599 1.00 14.51 C ATOM 0 HA PRO A 44 28.506 -17.189 2.595 1.00 3.52 H new ATOM 0 HB2 PRO A 44 27.642 -19.330 4.123 1.00 43.33 H new ATOM 0 HB3 PRO A 44 28.125 -17.790 4.806 1.00 43.33 H new ATOM 0 HG2 PRO A 44 25.411 -18.932 4.544 1.00 50.30 H new ATOM 0 HG3 PRO A 44 25.959 -17.628 5.579 1.00 50.30 H new ATOM 0 HD2 PRO A 44 24.470 -17.374 3.141 1.00 14.51 H new ATOM 0 HD3 PRO A 44 25.119 -16.069 4.114 1.00 14.51 H new ATOM 668 N GLY A 45 26.413 -18.733 0.872 1.00 63.41 N ATOM 669 CA GLY A 45 26.240 -19.689 -0.208 1.00 62.30 C ATOM 670 C GLY A 45 26.718 -19.104 -1.539 1.00 51.31 C ATOM 671 O GLY A 45 27.176 -19.838 -2.415 1.00 1.41 O ATOM 0 H GLY A 45 25.642 -18.075 0.987 1.00 63.41 H new ATOM 0 HA2 GLY A 45 26.797 -20.599 0.014 1.00 62.30 H new ATOM 0 HA3 GLY A 45 25.189 -19.969 -0.286 1.00 62.30 H new ATOM 675 N TYR A 46 26.597 -17.790 -1.650 1.00 31.42 N ATOM 676 CA TYR A 46 27.011 -17.099 -2.859 1.00 33.33 C ATOM 677 C TYR A 46 27.703 -15.776 -2.525 1.00 21.45 C ATOM 678 O TYR A 46 27.054 -14.825 -2.089 1.00 53.01 O ATOM 679 CB TYR A 46 25.728 -16.807 -3.639 1.00 11.41 C ATOM 680 CG TYR A 46 25.961 -16.114 -4.983 1.00 3.21 C ATOM 681 CD1 TYR A 46 26.907 -16.606 -5.858 1.00 70.24 C ATOM 682 CD2 TYR A 46 25.223 -14.998 -5.322 1.00 42.12 C ATOM 683 CE1 TYR A 46 27.126 -15.955 -7.123 1.00 41.12 C ATOM 684 CE2 TYR A 46 25.442 -14.347 -6.587 1.00 4.30 C ATOM 685 CZ TYR A 46 26.383 -14.857 -7.425 1.00 64.21 C ATOM 686 OH TYR A 46 26.589 -14.242 -8.621 1.00 73.20 O ATOM 0 H TYR A 46 26.218 -17.185 -0.922 1.00 31.42 H new ATOM 0 HA TYR A 46 27.715 -17.707 -3.426 1.00 33.33 H new ATOM 0 HB2 TYR A 46 25.199 -17.744 -3.812 1.00 11.41 H new ATOM 0 HB3 TYR A 46 25.077 -16.182 -3.027 1.00 11.41 H new ATOM 0 HD1 TYR A 46 27.484 -17.480 -5.594 1.00 70.24 H new ATOM 0 HD2 TYR A 46 24.481 -14.613 -4.638 1.00 42.12 H new ATOM 0 HE1 TYR A 46 27.864 -16.330 -7.817 1.00 41.12 H new ATOM 0 HE2 TYR A 46 24.871 -13.473 -6.864 1.00 4.30 H new ATOM 0 HH TYR A 46 25.987 -13.473 -8.701 1.00 73.20 H new ATOM 696 N SER A 47 29.010 -15.757 -2.742 1.00 61.13 N ATOM 697 CA SER A 47 29.796 -14.566 -2.469 1.00 50.02 C ATOM 698 C SER A 47 29.613 -13.547 -3.598 1.00 61.25 C ATOM 699 O SER A 47 29.455 -13.923 -4.757 1.00 74.42 O ATOM 700 CB SER A 47 31.277 -14.911 -2.301 1.00 64.01 C ATOM 701 OG SER A 47 31.937 -15.055 -3.555 1.00 62.20 O ATOM 0 H SER A 47 29.544 -16.547 -3.104 1.00 61.13 H new ATOM 0 HA SER A 47 29.443 -14.130 -1.534 1.00 50.02 H new ATOM 0 HB2 SER A 47 31.768 -14.130 -1.721 1.00 64.01 H new ATOM 0 HB3 SER A 47 31.371 -15.837 -1.733 1.00 64.01 H new ATOM 0 HG SER A 47 32.881 -15.273 -3.405 1.00 62.20 H new ATOM 707 N TYR A 48 29.639 -12.279 -3.216 1.00 23.43 N ATOM 708 CA TYR A 48 29.479 -11.204 -4.180 1.00 51.03 C ATOM 709 C TYR A 48 30.837 -10.638 -4.602 1.00 50.11 C ATOM 710 O TYR A 48 31.879 -11.169 -4.224 1.00 44.52 O ATOM 711 CB TYR A 48 28.683 -10.111 -3.465 1.00 20.35 C ATOM 712 CG TYR A 48 27.478 -10.632 -2.678 1.00 25.13 C ATOM 713 CD1 TYR A 48 26.960 -11.880 -2.956 1.00 3.33 C ATOM 714 CD2 TYR A 48 26.911 -9.854 -1.689 1.00 40.21 C ATOM 715 CE1 TYR A 48 25.827 -12.371 -2.215 1.00 31.53 C ATOM 716 CE2 TYR A 48 25.778 -10.344 -0.949 1.00 74.50 C ATOM 717 CZ TYR A 48 25.292 -11.579 -1.248 1.00 31.14 C ATOM 718 OH TYR A 48 24.221 -12.042 -0.549 1.00 23.04 O ATOM 0 H TYR A 48 29.768 -11.972 -2.252 1.00 23.43 H new ATOM 0 HA TYR A 48 28.978 -11.566 -5.078 1.00 51.03 H new ATOM 0 HB2 TYR A 48 29.347 -9.579 -2.783 1.00 20.35 H new ATOM 0 HB3 TYR A 48 28.337 -9.387 -4.202 1.00 20.35 H new ATOM 0 HD1 TYR A 48 27.404 -12.489 -3.729 1.00 3.33 H new ATOM 0 HD2 TYR A 48 27.317 -8.878 -1.470 1.00 40.21 H new ATOM 0 HE1 TYR A 48 25.412 -13.346 -2.423 1.00 31.53 H new ATOM 0 HE2 TYR A 48 25.324 -9.745 -0.174 1.00 74.50 H new ATOM 0 HH TYR A 48 23.945 -11.371 0.110 1.00 23.04 H new ATOM 728 N THR A 49 30.778 -9.567 -5.379 1.00 5.20 N ATOM 729 CA THR A 49 31.990 -8.922 -5.856 1.00 43.03 C ATOM 730 C THR A 49 32.940 -8.643 -4.689 1.00 11.41 C ATOM 731 O THR A 49 32.593 -8.876 -3.533 1.00 40.24 O ATOM 732 CB THR A 49 31.586 -7.662 -6.624 1.00 0.23 C ATOM 733 OG1 THR A 49 30.520 -7.113 -5.852 1.00 65.43 O ATOM 734 CG2 THR A 49 30.940 -7.981 -7.974 1.00 63.33 C ATOM 0 H THR A 49 29.911 -9.130 -5.690 1.00 5.20 H new ATOM 0 HA THR A 49 32.541 -9.571 -6.536 1.00 43.03 H new ATOM 0 HB THR A 49 32.464 -7.035 -6.780 1.00 0.23 H new ATOM 0 HG1 THR A 49 30.177 -6.308 -6.294 1.00 65.43 H new ATOM 0 HG21 THR A 49 30.672 -7.052 -8.478 1.00 63.33 H new ATOM 0 HG22 THR A 49 31.644 -8.539 -8.591 1.00 63.33 H new ATOM 0 HG23 THR A 49 30.043 -8.579 -7.816 1.00 63.33 H new ATOM 742 N ALA A 50 34.120 -8.148 -5.035 1.00 63.11 N ATOM 743 CA ALA A 50 35.123 -7.836 -4.030 1.00 4.40 C ATOM 744 C ALA A 50 34.938 -6.390 -3.564 1.00 24.52 C ATOM 745 O ALA A 50 35.474 -5.994 -2.530 1.00 65.45 O ATOM 746 CB ALA A 50 36.518 -8.088 -4.605 1.00 22.44 C ATOM 0 H ALA A 50 34.404 -7.956 -5.996 1.00 63.11 H new ATOM 0 HA ALA A 50 35.008 -8.482 -3.159 1.00 4.40 H new ATOM 0 HB1 ALA A 50 37.270 -7.854 -3.851 1.00 22.44 H new ATOM 0 HB2 ALA A 50 36.608 -9.135 -4.895 1.00 22.44 H new ATOM 0 HB3 ALA A 50 36.671 -7.455 -5.479 1.00 22.44 H new ATOM 752 N ALA A 51 34.177 -5.642 -4.349 1.00 22.13 N ATOM 753 CA ALA A 51 33.915 -4.248 -4.030 1.00 24.51 C ATOM 754 C ALA A 51 32.661 -4.157 -3.158 1.00 32.14 C ATOM 755 O ALA A 51 32.538 -3.252 -2.335 1.00 53.32 O ATOM 756 CB ALA A 51 33.784 -3.444 -5.324 1.00 73.13 C ATOM 0 H ALA A 51 33.733 -5.974 -5.205 1.00 22.13 H new ATOM 0 HA ALA A 51 34.743 -3.821 -3.464 1.00 24.51 H new ATOM 0 HB1 ALA A 51 33.588 -2.399 -5.085 1.00 73.13 H new ATOM 0 HB2 ALA A 51 34.710 -3.518 -5.894 1.00 73.13 H new ATOM 0 HB3 ALA A 51 32.961 -3.841 -5.917 1.00 73.13 H new ATOM 762 N ASN A 52 31.763 -5.108 -3.368 1.00 72.12 N ATOM 763 CA ASN A 52 30.523 -5.146 -2.611 1.00 72.03 C ATOM 764 C ASN A 52 30.794 -5.734 -1.225 1.00 44.33 C ATOM 765 O ASN A 52 30.414 -5.147 -0.213 1.00 21.23 O ATOM 766 CB ASN A 52 29.482 -6.028 -3.302 1.00 71.24 C ATOM 767 CG ASN A 52 28.083 -5.771 -2.739 1.00 1.21 C ATOM 768 OD1 ASN A 52 27.278 -5.052 -3.309 1.00 10.34 O ATOM 769 ND2 ASN A 52 27.839 -6.397 -1.591 1.00 51.41 N ATOM 0 H ASN A 52 31.869 -5.858 -4.051 1.00 72.12 H new ATOM 0 HA ASN A 52 30.142 -4.127 -2.538 1.00 72.03 H new ATOM 0 HB2 ASN A 52 29.488 -5.831 -4.374 1.00 71.24 H new ATOM 0 HB3 ASN A 52 29.744 -7.078 -3.169 1.00 71.24 H new ATOM 0 HD21 ASN A 52 26.933 -6.290 -1.134 1.00 51.41 H new ATOM 0 HD22 ASN A 52 28.558 -6.984 -1.168 1.00 51.41 H new ATOM 776 N LYS A 53 31.450 -6.884 -1.223 1.00 31.33 N ATOM 777 CA LYS A 53 31.778 -7.557 0.022 1.00 23.25 C ATOM 778 C LYS A 53 32.313 -6.534 1.025 1.00 40.10 C ATOM 779 O LYS A 53 31.969 -6.577 2.205 1.00 44.44 O ATOM 780 CB LYS A 53 32.734 -8.725 -0.235 1.00 41.40 C ATOM 781 CG LYS A 53 32.558 -9.819 0.820 1.00 75.03 C ATOM 782 CD LYS A 53 33.850 -10.616 1.004 1.00 74.12 C ATOM 783 CE LYS A 53 33.578 -11.950 1.702 1.00 55.52 C ATOM 784 NZ LYS A 53 34.850 -12.619 2.055 1.00 13.54 N1+ ATOM 0 H LYS A 53 31.764 -7.368 -2.064 1.00 31.33 H new ATOM 0 HA LYS A 53 30.884 -7.998 0.463 1.00 23.25 H new ATOM 0 HB2 LYS A 53 32.551 -9.138 -1.227 1.00 41.40 H new ATOM 0 HB3 LYS A 53 33.763 -8.366 -0.224 1.00 41.40 H new ATOM 0 HG2 LYS A 53 32.265 -9.370 1.769 1.00 75.03 H new ATOM 0 HG3 LYS A 53 31.752 -10.490 0.522 1.00 75.03 H new ATOM 0 HD2 LYS A 53 34.311 -10.797 0.033 1.00 74.12 H new ATOM 0 HD3 LYS A 53 34.560 -10.033 1.590 1.00 74.12 H new ATOM 0 HE2 LYS A 53 32.986 -11.782 2.602 1.00 55.52 H new ATOM 0 HE3 LYS A 53 32.990 -12.595 1.050 1.00 55.52 H new ATOM 0 HZ1 LYS A 53 34.647 -13.523 2.528 1.00 13.54 H new ATOM 0 HZ2 LYS A 53 35.401 -12.796 1.191 1.00 13.54 H new ATOM 0 HZ3 LYS A 53 35.397 -12.009 2.695 1.00 13.54 H new ATOM 797 N ASN A 54 33.145 -5.635 0.519 1.00 32.11 N ATOM 798 CA ASN A 54 33.730 -4.602 1.356 1.00 62.53 C ATOM 799 C ASN A 54 32.614 -3.820 2.049 1.00 21.52 C ATOM 800 O ASN A 54 32.683 -3.564 3.251 1.00 54.24 O ATOM 801 CB ASN A 54 34.550 -3.617 0.520 1.00 4.13 C ATOM 802 CG ASN A 54 36.007 -4.073 0.406 1.00 23.22 C ATOM 803 OD1 ASN A 54 36.937 -3.352 0.727 1.00 64.31 O ATOM 804 ND2 ASN A 54 36.151 -5.307 -0.067 1.00 31.23 N ATOM 0 H ASN A 54 33.428 -5.601 -0.460 1.00 32.11 H new ATOM 0 HA ASN A 54 34.380 -5.086 2.085 1.00 62.53 H new ATOM 0 HB2 ASN A 54 34.114 -3.529 -0.475 1.00 4.13 H new ATOM 0 HB3 ASN A 54 34.510 -2.627 0.975 1.00 4.13 H new ATOM 0 HD21 ASN A 54 37.084 -5.704 -0.180 1.00 31.23 H new ATOM 0 HD22 ASN A 54 35.329 -5.857 -0.317 1.00 31.23 H new ATOM 811 N LYS A 55 31.610 -3.461 1.262 1.00 3.10 N ATOM 812 CA LYS A 55 30.480 -2.712 1.787 1.00 52.01 C ATOM 813 C LYS A 55 29.987 -3.376 3.074 1.00 71.13 C ATOM 814 O LYS A 55 29.974 -4.602 3.179 1.00 34.34 O ATOM 815 CB LYS A 55 29.395 -2.562 0.718 1.00 61.43 C ATOM 816 CG LYS A 55 28.608 -1.264 0.913 1.00 35.11 C ATOM 817 CD LYS A 55 29.272 -0.104 0.169 1.00 31.33 C ATOM 818 CE LYS A 55 28.871 1.239 0.782 1.00 31.13 C ATOM 819 NZ LYS A 55 29.731 2.324 0.259 1.00 40.52 N1+ ATOM 0 H LYS A 55 31.555 -3.674 0.266 1.00 3.10 H new ATOM 0 HA LYS A 55 30.783 -1.698 2.047 1.00 52.01 H new ATOM 0 HB2 LYS A 55 29.851 -2.569 -0.272 1.00 61.43 H new ATOM 0 HB3 LYS A 55 28.716 -3.413 0.762 1.00 61.43 H new ATOM 0 HG2 LYS A 55 27.588 -1.395 0.553 1.00 35.11 H new ATOM 0 HG3 LYS A 55 28.543 -1.030 1.976 1.00 35.11 H new ATOM 0 HD2 LYS A 55 30.356 -0.216 0.206 1.00 31.33 H new ATOM 0 HD3 LYS A 55 28.984 -0.129 -0.882 1.00 31.33 H new ATOM 0 HE2 LYS A 55 27.827 1.452 0.554 1.00 31.13 H new ATOM 0 HE3 LYS A 55 28.957 1.190 1.868 1.00 31.13 H new ATOM 0 HZ1 LYS A 55 29.446 3.229 0.685 1.00 40.52 H new ATOM 0 HZ2 LYS A 55 30.724 2.126 0.498 1.00 40.52 H new ATOM 0 HZ3 LYS A 55 29.629 2.380 -0.774 1.00 40.52 H new ATOM 832 N GLY A 56 29.593 -2.537 4.020 1.00 14.34 N ATOM 833 CA GLY A 56 29.100 -3.027 5.297 1.00 1.53 C ATOM 834 C GLY A 56 27.940 -2.167 5.803 1.00 71.44 C ATOM 835 O GLY A 56 28.130 -1.299 6.653 1.00 74.10 O ATOM 0 H GLY A 56 29.605 -1.521 3.929 1.00 14.34 H new ATOM 0 HA2 GLY A 56 28.772 -4.061 5.192 1.00 1.53 H new ATOM 0 HA3 GLY A 56 29.908 -3.022 6.029 1.00 1.53 H new ATOM 839 N ILE A 57 26.763 -2.440 5.258 1.00 74.01 N ATOM 840 CA ILE A 57 25.571 -1.702 5.643 1.00 43.32 C ATOM 841 C ILE A 57 24.363 -2.641 5.611 1.00 62.24 C ATOM 842 O ILE A 57 24.458 -3.762 5.116 1.00 3.42 O ATOM 843 CB ILE A 57 25.407 -0.456 4.771 1.00 40.53 C ATOM 844 CG1 ILE A 57 25.477 -0.815 3.285 1.00 32.54 C ATOM 845 CG2 ILE A 57 26.426 0.619 5.151 1.00 3.00 C ATOM 846 CD1 ILE A 57 24.105 -1.236 2.756 1.00 32.33 C ATOM 0 H ILE A 57 26.609 -3.161 4.553 1.00 74.01 H new ATOM 0 HA ILE A 57 25.663 -1.336 6.665 1.00 43.32 H new ATOM 0 HB ILE A 57 24.417 -0.038 4.955 1.00 40.53 H new ATOM 0 HG12 ILE A 57 25.842 0.041 2.718 1.00 32.54 H new ATOM 0 HG13 ILE A 57 26.192 -1.624 3.136 1.00 32.54 H new ATOM 0 HG21 ILE A 57 26.287 1.493 4.515 1.00 3.00 H new ATOM 0 HG22 ILE A 57 26.284 0.902 6.194 1.00 3.00 H new ATOM 0 HG23 ILE A 57 27.435 0.229 5.015 1.00 3.00 H new ATOM 0 HD11 ILE A 57 24.184 -1.485 1.698 1.00 32.33 H new ATOM 0 HD12 ILE A 57 23.753 -2.107 3.309 1.00 32.33 H new ATOM 0 HD13 ILE A 57 23.398 -0.416 2.884 1.00 32.33 H new ATOM 858 N ILE A 58 23.256 -2.147 6.145 1.00 34.44 N ATOM 859 CA ILE A 58 22.031 -2.927 6.184 1.00 71.13 C ATOM 860 C ILE A 58 21.056 -2.390 5.133 1.00 61.15 C ATOM 861 O ILE A 58 20.925 -1.179 4.964 1.00 1.32 O ATOM 862 CB ILE A 58 21.455 -2.951 7.601 1.00 10.41 C ATOM 863 CG1 ILE A 58 22.364 -3.736 8.549 1.00 53.34 C ATOM 864 CG2 ILE A 58 20.023 -3.491 7.602 1.00 13.54 C ATOM 865 CD1 ILE A 58 22.062 -5.234 8.483 1.00 42.52 C ATOM 0 H ILE A 58 23.182 -1.216 6.554 1.00 34.44 H new ATOM 0 HA ILE A 58 22.234 -3.967 5.930 1.00 71.13 H new ATOM 0 HB ILE A 58 21.413 -1.926 7.970 1.00 10.41 H new ATOM 0 HG12 ILE A 58 23.407 -3.560 8.287 1.00 53.34 H new ATOM 0 HG13 ILE A 58 22.227 -3.378 9.569 1.00 53.34 H new ATOM 0 HG21 ILE A 58 19.637 -3.497 8.621 1.00 13.54 H new ATOM 0 HG22 ILE A 58 19.394 -2.855 6.980 1.00 13.54 H new ATOM 0 HG23 ILE A 58 20.017 -4.506 7.205 1.00 13.54 H new ATOM 0 HD11 ILE A 58 22.722 -5.769 9.166 1.00 42.52 H new ATOM 0 HD12 ILE A 58 21.025 -5.409 8.769 1.00 42.52 H new ATOM 0 HD13 ILE A 58 22.224 -5.593 7.467 1.00 42.52 H new ATOM 877 N TRP A 59 20.399 -3.318 4.454 1.00 12.43 N ATOM 878 CA TRP A 59 19.441 -2.954 3.424 1.00 31.13 C ATOM 879 C TRP A 59 18.145 -2.524 4.115 1.00 62.44 C ATOM 880 O TRP A 59 17.876 -2.930 5.245 1.00 4.32 O ATOM 881 CB TRP A 59 19.238 -4.102 2.433 1.00 3.14 C ATOM 882 CG TRP A 59 20.444 -4.365 1.529 1.00 60.14 C ATOM 883 CD1 TRP A 59 21.216 -5.459 1.482 1.00 33.12 C ATOM 884 CD2 TRP A 59 20.989 -3.467 0.540 1.00 22.32 C ATOM 885 NE1 TRP A 59 22.214 -5.334 0.537 1.00 43.14 N ATOM 886 CE2 TRP A 59 22.072 -4.083 -0.054 1.00 22.33 C ATOM 887 CE3 TRP A 59 20.581 -2.177 0.158 1.00 1.23 C ATOM 888 CZ2 TRP A 59 22.836 -3.486 -1.063 1.00 75.24 C ATOM 889 CZ3 TRP A 59 21.355 -1.594 -0.852 1.00 14.52 C ATOM 890 CH2 TRP A 59 22.447 -2.200 -1.460 1.00 62.15 C ATOM 0 H TRP A 59 20.511 -4.322 4.597 1.00 12.43 H new ATOM 0 HA TRP A 59 19.812 -2.119 2.829 1.00 31.13 H new ATOM 0 HB2 TRP A 59 19.008 -5.011 2.988 1.00 3.14 H new ATOM 0 HB3 TRP A 59 18.371 -3.881 1.810 1.00 3.14 H new ATOM 0 HD1 TRP A 59 21.075 -6.330 2.105 1.00 33.12 H new ATOM 0 HE1 TRP A 59 22.925 -6.031 0.313 1.00 43.14 H new ATOM 0 HE3 TRP A 59 19.737 -1.676 0.608 1.00 1.23 H new ATOM 0 HZ2 TRP A 59 23.680 -3.989 -1.511 1.00 75.24 H new ATOM 0 HZ3 TRP A 59 21.084 -0.602 -1.182 1.00 14.52 H new ATOM 0 HH2 TRP A 59 22.993 -1.683 -2.235 1.00 62.15 H new ATOM 901 N GLY A 60 17.377 -1.709 3.407 1.00 60.12 N ATOM 902 CA GLY A 60 16.115 -1.220 3.938 1.00 61.54 C ATOM 903 C GLY A 60 15.310 -0.496 2.857 1.00 2.44 C ATOM 904 O GLY A 60 15.531 -0.708 1.666 1.00 64.10 O ATOM 0 H GLY A 60 17.604 -1.375 2.470 1.00 60.12 H new ATOM 0 HA2 GLY A 60 15.534 -2.054 4.332 1.00 61.54 H new ATOM 0 HA3 GLY A 60 16.305 -0.542 4.771 1.00 61.54 H new ATOM 908 N GLU A 61 14.392 0.345 3.312 1.00 1.02 N ATOM 909 CA GLU A 61 13.553 1.103 2.400 1.00 43.51 C ATOM 910 C GLU A 61 14.294 2.344 1.903 1.00 54.24 C ATOM 911 O GLU A 61 14.166 2.725 0.741 1.00 64.13 O ATOM 912 CB GLU A 61 12.228 1.484 3.063 1.00 4.31 C ATOM 913 CG GLU A 61 11.209 0.348 2.943 1.00 42.02 C ATOM 914 CD GLU A 61 9.794 0.846 3.247 1.00 40.13 C ATOM 915 OE1 GLU A 61 9.622 1.997 3.676 1.00 42.11 O ATOM 916 OE2 GLU A 61 8.855 -0.008 3.020 1.00 53.22 O1- ATOM 0 H GLU A 61 14.211 0.518 4.301 1.00 1.02 H new ATOM 0 HA GLU A 61 13.324 0.473 1.540 1.00 43.51 H new ATOM 0 HB2 GLU A 61 12.397 1.717 4.114 1.00 4.31 H new ATOM 0 HB3 GLU A 61 11.830 2.385 2.597 1.00 4.31 H new ATOM 0 HG2 GLU A 61 11.243 -0.071 1.937 1.00 42.02 H new ATOM 0 HG3 GLU A 61 11.472 -0.455 3.632 1.00 42.02 H new ATOM 924 N ASP A 62 15.054 2.943 2.809 1.00 41.03 N ATOM 925 CA ASP A 62 15.817 4.135 2.477 1.00 11.04 C ATOM 926 C ASP A 62 17.038 3.738 1.646 1.00 64.11 C ATOM 927 O ASP A 62 17.196 4.191 0.513 1.00 4.51 O ATOM 928 CB ASP A 62 16.313 4.840 3.741 1.00 52.14 C ATOM 929 CG ASP A 62 16.960 6.207 3.507 1.00 62.42 C ATOM 930 OD1 ASP A 62 17.472 6.492 2.414 1.00 35.04 O ATOM 931 OD2 ASP A 62 16.925 7.007 4.518 1.00 62.51 O1- ATOM 0 H ASP A 62 15.158 2.625 3.773 1.00 41.03 H new ATOM 0 HA ASP A 62 15.166 4.809 1.920 1.00 11.04 H new ATOM 0 HB2 ASP A 62 15.472 4.965 4.423 1.00 52.14 H new ATOM 0 HB3 ASP A 62 17.035 4.194 4.240 1.00 52.14 H new ATOM 937 N THR A 63 17.872 2.899 2.241 1.00 73.22 N ATOM 938 CA THR A 63 19.076 2.436 1.570 1.00 3.24 C ATOM 939 C THR A 63 18.748 1.974 0.149 1.00 11.02 C ATOM 940 O THR A 63 19.610 1.999 -0.729 1.00 1.20 O ATOM 941 CB THR A 63 19.708 1.344 2.433 1.00 40.22 C ATOM 942 OG1 THR A 63 18.735 0.303 2.445 1.00 4.21 O ATOM 943 CG2 THR A 63 19.831 1.756 3.902 1.00 44.33 C ATOM 0 H THR A 63 17.738 2.527 3.181 1.00 73.22 H new ATOM 0 HA THR A 63 19.802 3.241 1.458 1.00 3.24 H new ATOM 0 HB THR A 63 20.695 1.098 2.041 1.00 40.22 H new ATOM 0 HG1 THR A 63 18.817 -0.231 1.627 1.00 4.21 H new ATOM 0 HG21 THR A 63 20.286 0.945 4.471 1.00 44.33 H new ATOM 0 HG22 THR A 63 20.454 2.647 3.979 1.00 44.33 H new ATOM 0 HG23 THR A 63 18.841 1.970 4.304 1.00 44.33 H new ATOM 951 N LEU A 64 17.502 1.563 -0.034 1.00 10.45 N ATOM 952 CA LEU A 64 17.051 1.097 -1.334 1.00 43.40 C ATOM 953 C LEU A 64 16.564 2.290 -2.159 1.00 72.41 C ATOM 954 O LEU A 64 16.802 2.353 -3.363 1.00 42.34 O ATOM 955 CB LEU A 64 16.004 -0.007 -1.172 1.00 75.52 C ATOM 956 CG LEU A 64 16.545 -1.405 -0.864 1.00 12.32 C ATOM 957 CD1 LEU A 64 15.407 -2.375 -0.537 1.00 31.02 C ATOM 958 CD2 LEU A 64 17.424 -1.918 -2.007 1.00 20.25 C ATOM 0 H LEU A 64 16.790 1.543 0.697 1.00 10.45 H new ATOM 0 HA LEU A 64 17.876 0.645 -1.884 1.00 43.40 H new ATOM 0 HB2 LEU A 64 15.322 0.281 -0.372 1.00 75.52 H new ATOM 0 HB3 LEU A 64 15.416 -0.060 -2.088 1.00 75.52 H new ATOM 0 HG LEU A 64 17.176 -1.338 0.022 1.00 12.32 H new ATOM 0 HD11 LEU A 64 15.820 -3.361 -0.322 1.00 31.02 H new ATOM 0 HD12 LEU A 64 14.859 -2.013 0.333 1.00 31.02 H new ATOM 0 HD13 LEU A 64 14.730 -2.443 -1.389 1.00 31.02 H new ATOM 0 HD21 LEU A 64 17.795 -2.913 -1.762 1.00 20.25 H new ATOM 0 HD22 LEU A 64 16.837 -1.965 -2.924 1.00 20.25 H new ATOM 0 HD23 LEU A 64 18.267 -1.241 -2.150 1.00 20.25 H new ATOM 970 N MET A 65 15.892 3.205 -1.477 1.00 14.04 N ATOM 971 CA MET A 65 15.369 4.392 -2.131 1.00 64.51 C ATOM 972 C MET A 65 16.492 5.184 -2.807 1.00 44.11 C ATOM 973 O MET A 65 16.230 6.047 -3.644 1.00 35.15 O ATOM 974 CB MET A 65 14.668 5.278 -1.099 1.00 75.32 C ATOM 975 CG MET A 65 13.191 4.904 -0.970 1.00 12.54 C ATOM 976 SD MET A 65 12.216 5.863 -2.118 1.00 72.52 S ATOM 977 CE MET A 65 11.474 4.546 -3.068 1.00 71.41 C ATOM 0 H MET A 65 15.697 3.148 -0.477 1.00 14.04 H new ATOM 0 HA MET A 65 14.658 4.080 -2.896 1.00 64.51 H new ATOM 0 HB2 MET A 65 15.159 5.174 -0.131 1.00 75.32 H new ATOM 0 HB3 MET A 65 14.758 6.324 -1.391 1.00 75.32 H new ATOM 0 HG2 MET A 65 13.058 3.840 -1.167 1.00 12.54 H new ATOM 0 HG3 MET A 65 12.849 5.084 0.049 1.00 12.54 H new ATOM 0 HE1 MET A 65 10.973 4.965 -3.941 1.00 71.41 H new ATOM 0 HE2 MET A 65 12.248 3.851 -3.392 1.00 71.41 H new ATOM 0 HE3 MET A 65 10.747 4.018 -2.451 1.00 71.41 H new ATOM 987 N GLU A 66 17.716 4.863 -2.417 1.00 20.23 N ATOM 988 CA GLU A 66 18.879 5.534 -2.974 1.00 4.35 C ATOM 989 C GLU A 66 19.637 4.593 -3.911 1.00 12.41 C ATOM 990 O GLU A 66 20.085 5.004 -4.980 1.00 31.41 O ATOM 991 CB GLU A 66 19.794 6.056 -1.865 1.00 2.12 C ATOM 992 CG GLU A 66 21.111 6.579 -2.441 1.00 74.21 C ATOM 993 CD GLU A 66 21.895 7.368 -1.390 1.00 11.01 C ATOM 994 OE1 GLU A 66 21.328 8.244 -0.721 1.00 62.03 O ATOM 995 OE2 GLU A 66 23.138 7.042 -1.280 1.00 61.41 O1- ATOM 0 H GLU A 66 17.929 4.147 -1.722 1.00 20.23 H new ATOM 0 HA GLU A 66 18.536 6.392 -3.552 1.00 4.35 H new ATOM 0 HB2 GLU A 66 19.290 6.853 -1.318 1.00 2.12 H new ATOM 0 HB3 GLU A 66 19.997 5.258 -1.151 1.00 2.12 H new ATOM 0 HG2 GLU A 66 21.713 5.743 -2.797 1.00 74.21 H new ATOM 0 HG3 GLU A 66 20.908 7.216 -3.302 1.00 74.21 H new ATOM 1003 N TYR A 67 19.756 3.346 -3.477 1.00 2.54 N ATOM 1004 CA TYR A 67 20.452 2.343 -4.264 1.00 70.14 C ATOM 1005 C TYR A 67 19.752 2.116 -5.606 1.00 15.44 C ATOM 1006 O TYR A 67 20.375 2.219 -6.661 1.00 20.34 O ATOM 1007 CB TYR A 67 20.394 1.050 -3.447 1.00 71.01 C ATOM 1008 CG TYR A 67 21.192 -0.106 -4.053 1.00 33.43 C ATOM 1009 CD1 TYR A 67 22.452 0.121 -4.569 1.00 73.53 C ATOM 1010 CD2 TYR A 67 20.652 -1.375 -4.083 1.00 25.24 C ATOM 1011 CE1 TYR A 67 23.203 -0.966 -5.140 1.00 50.13 C ATOM 1012 CE2 TYR A 67 21.404 -2.464 -4.653 1.00 12.44 C ATOM 1013 CZ TYR A 67 22.642 -2.205 -5.153 1.00 70.00 C ATOM 1014 OH TYR A 67 23.351 -3.233 -5.692 1.00 1.15 O ATOM 0 H TYR A 67 19.382 3.008 -2.590 1.00 2.54 H new ATOM 0 HA TYR A 67 21.474 2.660 -4.472 1.00 70.14 H new ATOM 0 HB2 TYR A 67 20.769 1.250 -2.443 1.00 71.01 H new ATOM 0 HB3 TYR A 67 19.353 0.744 -3.344 1.00 71.01 H new ATOM 0 HD1 TYR A 67 22.874 1.115 -4.544 1.00 73.53 H new ATOM 0 HD2 TYR A 67 19.666 -1.552 -3.679 1.00 25.24 H new ATOM 0 HE1 TYR A 67 24.189 -0.802 -5.549 1.00 50.13 H new ATOM 0 HE2 TYR A 67 20.994 -3.463 -4.682 1.00 12.44 H new ATOM 0 HH TYR A 67 22.827 -4.059 -5.632 1.00 1.15 H new ATOM 1024 N LEU A 68 18.465 1.812 -5.521 1.00 3.24 N ATOM 1025 CA LEU A 68 17.674 1.569 -6.715 1.00 35.25 C ATOM 1026 C LEU A 68 17.722 2.806 -7.614 1.00 53.11 C ATOM 1027 O LEU A 68 17.593 2.698 -8.832 1.00 15.43 O ATOM 1028 CB LEU A 68 16.254 1.139 -6.339 1.00 63.11 C ATOM 1029 CG LEU A 68 16.128 -0.218 -5.641 1.00 65.23 C ATOM 1030 CD1 LEU A 68 14.674 -0.692 -5.624 1.00 12.31 C ATOM 1031 CD2 LEU A 68 17.061 -1.251 -6.275 1.00 71.44 C ATOM 0 H LEU A 68 17.951 1.729 -4.644 1.00 3.24 H new ATOM 0 HA LEU A 68 18.093 0.741 -7.287 1.00 35.25 H new ATOM 0 HB2 LEU A 68 15.825 1.901 -5.689 1.00 63.11 H new ATOM 0 HB3 LEU A 68 15.650 1.117 -7.246 1.00 63.11 H new ATOM 0 HG LEU A 68 16.440 -0.098 -4.603 1.00 65.23 H new ATOM 0 HD11 LEU A 68 14.612 -1.658 -5.123 1.00 12.31 H new ATOM 0 HD12 LEU A 68 14.061 0.034 -5.090 1.00 12.31 H new ATOM 0 HD13 LEU A 68 14.311 -0.790 -6.647 1.00 12.31 H new ATOM 0 HD21 LEU A 68 16.951 -2.205 -5.760 1.00 71.44 H new ATOM 0 HD22 LEU A 68 16.805 -1.375 -7.327 1.00 71.44 H new ATOM 0 HD23 LEU A 68 18.093 -0.910 -6.190 1.00 71.44 H new ATOM 1043 N GLU A 69 17.910 3.953 -6.978 1.00 15.25 N ATOM 1044 CA GLU A 69 17.977 5.210 -7.705 1.00 72.12 C ATOM 1045 C GLU A 69 19.266 5.278 -8.528 1.00 22.31 C ATOM 1046 O GLU A 69 19.290 5.878 -9.601 1.00 70.33 O ATOM 1047 CB GLU A 69 17.872 6.401 -6.752 1.00 51.12 C ATOM 1048 CG GLU A 69 18.019 7.723 -7.508 1.00 33.34 C ATOM 1049 CD GLU A 69 17.759 8.915 -6.584 1.00 54.43 C ATOM 1050 OE1 GLU A 69 18.703 9.624 -6.205 1.00 2.44 O ATOM 1051 OE2 GLU A 69 16.522 9.094 -6.262 1.00 3.24 O1- ATOM 0 H GLU A 69 18.018 4.039 -5.967 1.00 15.25 H new ATOM 0 HA GLU A 69 17.129 5.258 -8.388 1.00 72.12 H new ATOM 0 HB2 GLU A 69 16.911 6.377 -6.238 1.00 51.12 H new ATOM 0 HB3 GLU A 69 18.644 6.328 -5.986 1.00 51.12 H new ATOM 0 HG2 GLU A 69 19.022 7.796 -7.928 1.00 33.34 H new ATOM 0 HG3 GLU A 69 17.320 7.747 -8.344 1.00 33.34 H new ATOM 1059 N ASN A 70 20.305 4.655 -7.993 1.00 1.34 N ATOM 1060 CA ASN A 70 21.595 4.638 -8.664 1.00 62.35 C ATOM 1061 C ASN A 70 22.532 3.675 -7.932 1.00 55.43 C ATOM 1062 O ASN A 70 23.358 4.100 -7.126 1.00 45.53 O ATOM 1063 CB ASN A 70 22.239 6.025 -8.654 1.00 44.13 C ATOM 1064 CG ASN A 70 21.734 6.872 -9.823 1.00 34.34 C ATOM 1065 OD1 ASN A 70 21.675 6.435 -10.961 1.00 35.54 O ATOM 1066 ND2 ASN A 70 21.374 8.106 -9.482 1.00 0.54 N ATOM 0 H ASN A 70 20.281 4.158 -7.103 1.00 1.34 H new ATOM 0 HA ASN A 70 21.435 4.323 -9.695 1.00 62.35 H new ATOM 0 HB2 ASN A 70 22.015 6.527 -7.713 1.00 44.13 H new ATOM 0 HB3 ASN A 70 23.323 5.927 -8.713 1.00 44.13 H new ATOM 0 HD21 ASN A 70 21.024 8.749 -10.192 1.00 0.54 H new ATOM 0 HD22 ASN A 70 21.448 8.409 -8.511 1.00 0.54 H new ATOM 1073 N PRO A 71 22.370 2.363 -8.249 1.00 54.04 N ATOM 1074 CA PRO A 71 23.192 1.337 -7.631 1.00 32.44 C ATOM 1075 C PRO A 71 24.606 1.339 -8.218 1.00 41.31 C ATOM 1076 O PRO A 71 25.448 0.536 -7.821 1.00 74.34 O ATOM 1077 CB PRO A 71 22.449 0.035 -7.878 1.00 13.22 C ATOM 1078 CG PRO A 71 21.484 0.316 -9.018 1.00 74.42 C ATOM 1079 CD PRO A 71 21.403 1.822 -9.199 1.00 62.30 C ATOM 0 HA PRO A 71 23.336 1.501 -6.563 1.00 32.44 H new ATOM 0 HB2 PRO A 71 23.141 -0.766 -8.140 1.00 13.22 H new ATOM 0 HB3 PRO A 71 21.914 -0.285 -6.984 1.00 13.22 H new ATOM 0 HG2 PRO A 71 21.828 -0.161 -9.936 1.00 74.42 H new ATOM 0 HG3 PRO A 71 20.499 -0.095 -8.795 1.00 74.42 H new ATOM 0 HD2 PRO A 71 21.648 2.112 -10.221 1.00 62.30 H new ATOM 0 HD3 PRO A 71 20.398 2.192 -8.995 1.00 62.30 H new ATOM 1087 N LYS A 72 24.821 2.250 -9.155 1.00 40.44 N ATOM 1088 CA LYS A 72 26.117 2.368 -9.801 1.00 22.32 C ATOM 1089 C LYS A 72 26.991 3.341 -9.008 1.00 63.53 C ATOM 1090 O LYS A 72 28.207 3.374 -9.184 1.00 45.42 O ATOM 1091 CB LYS A 72 25.949 2.751 -11.273 1.00 54.30 C ATOM 1092 CG LYS A 72 27.099 2.198 -12.118 1.00 41.01 C ATOM 1093 CD LYS A 72 26.727 0.847 -12.732 1.00 72.43 C ATOM 1094 CE LYS A 72 26.885 -0.282 -11.711 1.00 51.53 C ATOM 1095 NZ LYS A 72 28.209 -0.203 -11.054 1.00 51.14 N1+ ATOM 0 H LYS A 72 24.119 2.914 -9.483 1.00 40.44 H new ATOM 0 HA LYS A 72 26.631 1.407 -9.802 1.00 22.32 H new ATOM 0 HB2 LYS A 72 25.000 2.366 -11.647 1.00 54.30 H new ATOM 0 HB3 LYS A 72 25.912 3.836 -11.368 1.00 54.30 H new ATOM 0 HG2 LYS A 72 27.347 2.905 -12.909 1.00 41.01 H new ATOM 0 HG3 LYS A 72 27.989 2.088 -11.499 1.00 41.01 H new ATOM 0 HD2 LYS A 72 25.698 0.877 -13.090 1.00 72.43 H new ATOM 0 HD3 LYS A 72 27.360 0.650 -13.598 1.00 72.43 H new ATOM 0 HE2 LYS A 72 26.096 -0.216 -10.962 1.00 51.53 H new ATOM 0 HE3 LYS A 72 26.775 -1.247 -12.206 1.00 51.53 H new ATOM 0 HZ1 LYS A 72 28.558 -1.163 -10.860 1.00 51.14 H new ATOM 0 HZ2 LYS A 72 28.878 0.289 -11.680 1.00 51.14 H new ATOM 0 HZ3 LYS A 72 28.122 0.321 -10.160 1.00 51.14 H new ATOM 1108 N LYS A 73 26.336 4.112 -8.152 1.00 4.23 N ATOM 1109 CA LYS A 73 27.038 5.084 -7.330 1.00 34.14 C ATOM 1110 C LYS A 73 27.177 4.538 -5.909 1.00 2.10 C ATOM 1111 O LYS A 73 28.090 4.922 -5.179 1.00 35.44 O ATOM 1112 CB LYS A 73 26.344 6.446 -7.402 1.00 1.20 C ATOM 1113 CG LYS A 73 26.907 7.289 -8.547 1.00 32.13 C ATOM 1114 CD LYS A 73 26.732 6.577 -9.891 1.00 55.50 C ATOM 1115 CE LYS A 73 26.941 7.546 -11.056 1.00 5.11 C ATOM 1116 NZ LYS A 73 26.444 6.954 -12.317 1.00 51.34 N1+ ATOM 0 H LYS A 73 25.326 4.083 -8.010 1.00 4.23 H new ATOM 0 HA LYS A 73 28.047 5.246 -7.709 1.00 34.14 H new ATOM 0 HB2 LYS A 73 25.272 6.305 -7.543 1.00 1.20 H new ATOM 0 HB3 LYS A 73 26.475 6.975 -6.458 1.00 1.20 H new ATOM 0 HG2 LYS A 73 26.402 8.255 -8.575 1.00 32.13 H new ATOM 0 HG3 LYS A 73 27.964 7.487 -8.371 1.00 32.13 H new ATOM 0 HD2 LYS A 73 27.443 5.754 -9.966 1.00 55.50 H new ATOM 0 HD3 LYS A 73 25.734 6.143 -9.949 1.00 55.50 H new ATOM 0 HE2 LYS A 73 26.419 8.482 -10.856 1.00 5.11 H new ATOM 0 HE3 LYS A 73 28.000 7.785 -11.152 1.00 5.11 H new ATOM 0 HZ1 LYS A 73 26.593 7.625 -13.098 1.00 51.34 H new ATOM 0 HZ2 LYS A 73 26.960 6.073 -12.514 1.00 51.34 H new ATOM 0 HZ3 LYS A 73 25.429 6.748 -12.227 1.00 51.34 H new ATOM 1129 N TYR A 74 26.259 3.652 -5.557 1.00 21.02 N ATOM 1130 CA TYR A 74 26.266 3.049 -4.234 1.00 11.41 C ATOM 1131 C TYR A 74 27.401 2.030 -4.103 1.00 42.23 C ATOM 1132 O TYR A 74 28.158 2.060 -3.134 1.00 73.43 O ATOM 1133 CB TYR A 74 24.928 2.323 -4.093 1.00 34.24 C ATOM 1134 CG TYR A 74 24.464 2.148 -2.645 1.00 13.51 C ATOM 1135 CD1 TYR A 74 25.195 1.364 -1.777 1.00 55.13 C ATOM 1136 CD2 TYR A 74 23.316 2.776 -2.208 1.00 0.20 C ATOM 1137 CE1 TYR A 74 24.759 1.199 -0.413 1.00 30.14 C ATOM 1138 CE2 TYR A 74 22.880 2.613 -0.844 1.00 65.02 C ATOM 1139 CZ TYR A 74 23.623 1.832 -0.015 1.00 60.53 C ATOM 1140 OH TYR A 74 23.212 1.677 1.272 1.00 63.13 O ATOM 0 H TYR A 74 25.504 3.336 -6.165 1.00 21.02 H new ATOM 0 HA TYR A 74 26.411 3.810 -3.467 1.00 11.41 H new ATOM 0 HB2 TYR A 74 24.167 2.876 -4.643 1.00 34.24 H new ATOM 0 HB3 TYR A 74 25.008 1.341 -4.559 1.00 34.24 H new ATOM 0 HD1 TYR A 74 26.094 0.874 -2.119 1.00 55.13 H new ATOM 0 HD2 TYR A 74 22.744 3.390 -2.888 1.00 0.20 H new ATOM 0 HE1 TYR A 74 25.321 0.587 0.277 1.00 30.14 H new ATOM 0 HE2 TYR A 74 21.984 3.100 -0.488 1.00 65.02 H new ATOM 0 HH TYR A 74 22.541 2.359 1.486 1.00 63.13 H new ATOM 1150 N ILE A 75 27.484 1.154 -5.093 1.00 35.22 N ATOM 1151 CA ILE A 75 28.513 0.128 -5.101 1.00 2.31 C ATOM 1152 C ILE A 75 29.238 0.148 -6.448 1.00 30.40 C ATOM 1153 O ILE A 75 28.870 -0.583 -7.366 1.00 3.45 O ATOM 1154 CB ILE A 75 27.915 -1.235 -4.746 1.00 64.10 C ATOM 1155 CG1 ILE A 75 26.852 -1.098 -3.653 1.00 71.04 C ATOM 1156 CG2 ILE A 75 29.011 -2.230 -4.359 1.00 52.55 C ATOM 1157 CD1 ILE A 75 26.245 -2.459 -3.306 1.00 1.01 C ATOM 0 H ILE A 75 26.855 1.133 -5.896 1.00 35.22 H new ATOM 0 HA ILE A 75 29.259 0.333 -4.333 1.00 2.31 H new ATOM 0 HB ILE A 75 27.418 -1.632 -5.631 1.00 64.10 H new ATOM 0 HG12 ILE A 75 27.297 -0.656 -2.761 1.00 71.04 H new ATOM 0 HG13 ILE A 75 26.067 -0.420 -3.987 1.00 71.04 H new ATOM 0 HG21 ILE A 75 28.559 -3.191 -4.111 1.00 52.55 H new ATOM 0 HG22 ILE A 75 29.699 -2.357 -5.195 1.00 52.55 H new ATOM 0 HG23 ILE A 75 29.557 -1.852 -3.495 1.00 52.55 H new ATOM 0 HD11 ILE A 75 25.493 -2.334 -2.527 1.00 1.01 H new ATOM 0 HD12 ILE A 75 25.780 -2.887 -4.194 1.00 1.01 H new ATOM 0 HD13 ILE A 75 27.029 -3.127 -2.949 1.00 1.01 H new ATOM 1169 N PRO A 76 30.281 1.017 -6.526 1.00 75.43 N ATOM 1170 CA PRO A 76 31.060 1.143 -7.746 1.00 60.41 C ATOM 1171 C PRO A 76 31.998 -0.052 -7.924 1.00 71.21 C ATOM 1172 O PRO A 76 33.017 -0.154 -7.243 1.00 23.43 O ATOM 1173 CB PRO A 76 31.801 2.463 -7.606 1.00 52.32 C ATOM 1174 CG PRO A 76 31.773 2.801 -6.124 1.00 32.44 C ATOM 1175 CD PRO A 76 30.745 1.900 -5.460 1.00 2.31 C ATOM 0 HA PRO A 76 30.440 1.143 -8.642 1.00 60.41 H new ATOM 0 HB2 PRO A 76 32.826 2.376 -7.968 1.00 52.32 H new ATOM 0 HB3 PRO A 76 31.321 3.245 -8.194 1.00 52.32 H new ATOM 0 HG2 PRO A 76 32.757 2.650 -5.679 1.00 32.44 H new ATOM 0 HG3 PRO A 76 31.514 3.849 -5.976 1.00 32.44 H new ATOM 0 HD2 PRO A 76 31.186 1.333 -4.640 1.00 2.31 H new ATOM 0 HD3 PRO A 76 29.923 2.480 -5.040 1.00 2.31 H new ATOM 1183 N GLY A 77 31.620 -0.929 -8.842 1.00 41.14 N ATOM 1184 CA GLY A 77 32.414 -2.113 -9.119 1.00 61.20 C ATOM 1185 C GLY A 77 31.537 -3.368 -9.148 1.00 2.42 C ATOM 1186 O GLY A 77 31.988 -4.435 -9.560 1.00 31.14 O ATOM 0 H GLY A 77 30.773 -0.843 -9.404 1.00 41.14 H new ATOM 0 HA2 GLY A 77 32.923 -1.998 -10.076 1.00 61.20 H new ATOM 0 HA3 GLY A 77 33.187 -2.223 -8.358 1.00 61.20 H new ATOM 1190 N THR A 78 30.300 -3.196 -8.708 1.00 45.32 N ATOM 1191 CA THR A 78 29.356 -4.299 -8.678 1.00 52.32 C ATOM 1192 C THR A 78 29.039 -4.768 -10.100 1.00 15.00 C ATOM 1193 O THR A 78 29.555 -4.214 -11.069 1.00 74.51 O ATOM 1194 CB THR A 78 28.120 -3.844 -7.899 1.00 44.04 C ATOM 1195 OG1 THR A 78 27.322 -5.020 -7.796 1.00 51.42 O ATOM 1196 CG2 THR A 78 27.248 -2.873 -8.699 1.00 71.52 C ATOM 0 H THR A 78 29.929 -2.308 -8.369 1.00 45.32 H new ATOM 0 HA THR A 78 29.777 -5.166 -8.169 1.00 52.32 H new ATOM 0 HB THR A 78 28.432 -3.370 -6.968 1.00 44.04 H new ATOM 0 HG1 THR A 78 26.500 -4.816 -7.303 1.00 51.42 H new ATOM 0 HG21 THR A 78 26.385 -2.582 -8.101 1.00 71.52 H new ATOM 0 HG22 THR A 78 27.829 -1.987 -8.953 1.00 71.52 H new ATOM 0 HG23 THR A 78 26.908 -3.358 -9.614 1.00 71.52 H new ATOM 1204 N LYS A 79 28.193 -5.785 -10.179 1.00 35.35 N ATOM 1205 CA LYS A 79 27.802 -6.335 -11.466 1.00 23.13 C ATOM 1206 C LYS A 79 26.282 -6.245 -11.614 1.00 32.14 C ATOM 1207 O LYS A 79 25.676 -7.041 -12.329 1.00 61.34 O ATOM 1208 CB LYS A 79 28.353 -7.752 -11.632 1.00 4.04 C ATOM 1209 CG LYS A 79 28.434 -8.471 -10.284 1.00 33.42 C ATOM 1210 CD LYS A 79 28.424 -9.990 -10.472 1.00 24.30 C ATOM 1211 CE LYS A 79 29.172 -10.688 -9.334 1.00 10.21 C ATOM 1212 NZ LYS A 79 29.355 -12.125 -9.638 1.00 45.34 N1+ ATOM 0 H LYS A 79 27.768 -6.242 -9.373 1.00 35.35 H new ATOM 0 HA LYS A 79 28.237 -5.751 -12.278 1.00 23.13 H new ATOM 0 HB2 LYS A 79 27.715 -8.317 -12.311 1.00 4.04 H new ATOM 0 HB3 LYS A 79 29.343 -7.710 -12.086 1.00 4.04 H new ATOM 0 HG2 LYS A 79 29.343 -8.171 -9.762 1.00 33.42 H new ATOM 0 HG3 LYS A 79 27.593 -8.173 -9.657 1.00 33.42 H new ATOM 0 HD2 LYS A 79 27.395 -10.349 -10.510 1.00 24.30 H new ATOM 0 HD3 LYS A 79 28.886 -10.245 -11.426 1.00 24.30 H new ATOM 0 HE2 LYS A 79 30.143 -10.215 -9.185 1.00 10.21 H new ATOM 0 HE3 LYS A 79 28.617 -10.575 -8.403 1.00 10.21 H new ATOM 0 HZ1 LYS A 79 29.864 -12.583 -8.856 1.00 45.34 H new ATOM 0 HZ2 LYS A 79 28.425 -12.576 -9.757 1.00 45.34 H new ATOM 0 HZ3 LYS A 79 29.904 -12.227 -10.515 1.00 45.34 H new ATOM 1225 N MET A 80 25.709 -5.268 -10.924 1.00 75.05 N ATOM 1226 CA MET A 80 24.271 -5.064 -10.970 1.00 44.10 C ATOM 1227 C MET A 80 23.843 -4.485 -12.319 1.00 15.21 C ATOM 1228 O MET A 80 23.501 -3.306 -12.412 1.00 11.50 O ATOM 1229 CB MET A 80 23.856 -4.110 -9.849 1.00 41.23 C ATOM 1230 CG MET A 80 22.349 -3.845 -9.885 1.00 12.33 C ATOM 1231 SD MET A 80 21.497 -5.023 -8.848 1.00 55.50 S ATOM 1232 CE MET A 80 20.817 -3.920 -7.621 1.00 4.13 C ATOM 0 H MET A 80 26.215 -4.610 -10.331 1.00 75.05 H new ATOM 0 HA MET A 80 23.781 -6.029 -10.838 1.00 44.10 H new ATOM 0 HB2 MET A 80 24.131 -4.535 -8.884 1.00 41.23 H new ATOM 0 HB3 MET A 80 24.397 -3.169 -9.948 1.00 41.23 H new ATOM 0 HG2 MET A 80 22.141 -2.831 -9.544 1.00 12.33 H new ATOM 0 HG3 MET A 80 21.983 -3.918 -10.909 1.00 12.33 H new ATOM 0 HE1 MET A 80 20.813 -4.414 -6.650 1.00 4.13 H new ATOM 0 HE2 MET A 80 21.425 -3.017 -7.566 1.00 4.13 H new ATOM 0 HE3 MET A 80 19.797 -3.654 -7.897 1.00 4.13 H new ATOM 1242 N ILE A 81 23.874 -5.339 -13.331 1.00 73.13 N ATOM 1243 CA ILE A 81 23.492 -4.926 -14.671 1.00 63.41 C ATOM 1244 C ILE A 81 22.001 -4.585 -14.690 1.00 63.43 C ATOM 1245 O ILE A 81 21.178 -5.407 -15.093 1.00 21.32 O ATOM 1246 CB ILE A 81 23.894 -5.991 -15.694 1.00 65.11 C ATOM 1247 CG1 ILE A 81 25.380 -5.886 -16.042 1.00 3.45 C ATOM 1248 CG2 ILE A 81 23.007 -5.916 -16.939 1.00 43.10 C ATOM 1249 CD1 ILE A 81 25.778 -6.943 -17.073 1.00 64.30 C ATOM 0 H ILE A 81 24.158 -6.315 -13.250 1.00 73.13 H new ATOM 0 HA ILE A 81 24.028 -4.022 -14.959 1.00 63.41 H new ATOM 0 HB ILE A 81 23.738 -6.972 -15.245 1.00 65.11 H new ATOM 0 HG12 ILE A 81 25.596 -4.892 -16.433 1.00 3.45 H new ATOM 0 HG13 ILE A 81 25.978 -6.010 -15.139 1.00 3.45 H new ATOM 0 HG21 ILE A 81 23.313 -6.683 -17.650 1.00 43.10 H new ATOM 0 HG22 ILE A 81 21.967 -6.078 -16.655 1.00 43.10 H new ATOM 0 HG23 ILE A 81 23.108 -4.933 -17.399 1.00 43.10 H new ATOM 0 HD11 ILE A 81 26.839 -6.846 -17.303 1.00 64.30 H new ATOM 0 HD12 ILE A 81 25.583 -7.937 -16.669 1.00 64.30 H new ATOM 0 HD13 ILE A 81 25.195 -6.801 -17.983 1.00 64.30 H new ATOM 1261 N PHE A 82 21.698 -3.374 -14.249 1.00 51.30 N ATOM 1262 CA PHE A 82 20.320 -2.914 -14.210 1.00 2.04 C ATOM 1263 C PHE A 82 20.239 -1.401 -14.427 1.00 11.53 C ATOM 1264 O PHE A 82 21.125 -0.662 -13.999 1.00 33.35 O ATOM 1265 CB PHE A 82 19.777 -3.248 -12.819 1.00 11.41 C ATOM 1266 CG PHE A 82 18.518 -2.465 -12.439 1.00 52.20 C ATOM 1267 CD1 PHE A 82 17.406 -2.544 -13.218 1.00 24.33 C ATOM 1268 CD2 PHE A 82 18.513 -1.690 -11.322 1.00 64.53 C ATOM 1269 CE1 PHE A 82 16.239 -1.817 -12.864 1.00 21.13 C ATOM 1270 CE2 PHE A 82 17.345 -0.963 -10.969 1.00 62.32 C ATOM 1271 CZ PHE A 82 16.232 -1.042 -11.747 1.00 52.30 C ATOM 0 H PHE A 82 22.383 -2.696 -13.915 1.00 51.30 H new ATOM 0 HA PHE A 82 19.744 -3.397 -14.999 1.00 2.04 H new ATOM 0 HB2 PHE A 82 19.557 -4.315 -12.772 1.00 11.41 H new ATOM 0 HB3 PHE A 82 20.553 -3.050 -12.080 1.00 11.41 H new ATOM 0 HD1 PHE A 82 17.411 -3.159 -14.105 1.00 24.33 H new ATOM 0 HD2 PHE A 82 19.396 -1.627 -10.704 1.00 64.53 H new ATOM 0 HE1 PHE A 82 15.356 -1.880 -13.483 1.00 21.13 H new ATOM 0 HE2 PHE A 82 17.341 -0.347 -10.082 1.00 62.32 H new ATOM 0 HZ PHE A 82 15.344 -0.490 -11.478 1.00 52.30 H new ATOM 1281 N VAL A 83 19.171 -0.987 -15.091 1.00 11.14 N ATOM 1282 CA VAL A 83 18.964 0.424 -15.368 1.00 50.45 C ATOM 1283 C VAL A 83 18.369 1.101 -14.132 1.00 64.23 C ATOM 1284 O VAL A 83 17.625 0.479 -13.376 1.00 22.41 O ATOM 1285 CB VAL A 83 18.094 0.589 -16.617 1.00 72.20 C ATOM 1286 CG1 VAL A 83 18.721 -0.118 -17.820 1.00 12.30 C ATOM 1287 CG2 VAL A 83 16.671 0.085 -16.365 1.00 22.20 C ATOM 0 H VAL A 83 18.440 -1.603 -15.445 1.00 11.14 H new ATOM 0 HA VAL A 83 19.914 0.915 -15.581 1.00 50.45 H new ATOM 0 HB VAL A 83 18.037 1.653 -16.847 1.00 72.20 H new ATOM 0 HG11 VAL A 83 18.083 0.015 -18.694 1.00 12.30 H new ATOM 0 HG12 VAL A 83 19.704 0.308 -18.021 1.00 12.30 H new ATOM 0 HG13 VAL A 83 18.824 -1.181 -17.604 1.00 12.30 H new ATOM 0 HG21 VAL A 83 16.074 0.214 -17.268 1.00 22.20 H new ATOM 0 HG22 VAL A 83 16.701 -0.971 -16.097 1.00 22.20 H new ATOM 0 HG23 VAL A 83 16.223 0.653 -15.550 1.00 22.20 H new ATOM 1297 N GLY A 84 18.720 2.368 -13.965 1.00 42.12 N ATOM 1298 CA GLY A 84 18.232 3.137 -12.833 1.00 22.32 C ATOM 1299 C GLY A 84 16.799 3.618 -13.075 1.00 4.23 C ATOM 1300 O GLY A 84 16.342 3.671 -14.216 1.00 44.21 O ATOM 0 H GLY A 84 19.337 2.881 -14.595 1.00 42.12 H new ATOM 0 HA2 GLY A 84 18.267 2.526 -11.931 1.00 22.32 H new ATOM 0 HA3 GLY A 84 18.884 3.994 -12.663 1.00 22.32 H new ATOM 1304 N ILE A 85 16.130 3.955 -11.982 1.00 0.21 N ATOM 1305 CA ILE A 85 14.759 4.430 -12.062 1.00 22.34 C ATOM 1306 C ILE A 85 14.726 5.933 -11.772 1.00 73.43 C ATOM 1307 O ILE A 85 15.617 6.459 -11.106 1.00 55.21 O ATOM 1308 CB ILE A 85 13.853 3.608 -11.144 1.00 13.11 C ATOM 1309 CG1 ILE A 85 14.264 2.134 -11.146 1.00 31.10 C ATOM 1310 CG2 ILE A 85 12.381 3.792 -11.517 1.00 13.43 C ATOM 1311 CD1 ILE A 85 13.353 1.309 -10.234 1.00 71.13 C ATOM 0 H ILE A 85 16.511 3.909 -11.037 1.00 0.21 H new ATOM 0 HA ILE A 85 14.366 4.290 -13.069 1.00 22.34 H new ATOM 0 HB ILE A 85 13.975 3.976 -10.125 1.00 13.11 H new ATOM 0 HG12 ILE A 85 14.219 1.742 -12.162 1.00 31.10 H new ATOM 0 HG13 ILE A 85 15.298 2.041 -10.814 1.00 31.10 H new ATOM 0 HG21 ILE A 85 11.759 3.197 -10.849 1.00 13.43 H new ATOM 0 HG22 ILE A 85 12.111 4.844 -11.423 1.00 13.43 H new ATOM 0 HG23 ILE A 85 12.223 3.467 -12.545 1.00 13.43 H new ATOM 0 HD11 ILE A 85 13.667 0.265 -10.254 1.00 71.13 H new ATOM 0 HD12 ILE A 85 13.419 1.688 -9.214 1.00 71.13 H new ATOM 0 HD13 ILE A 85 12.323 1.385 -10.583 1.00 71.13 H new ATOM 1323 N LYS A 86 13.691 6.580 -12.286 1.00 70.13 N ATOM 1324 CA LYS A 86 13.531 8.011 -12.092 1.00 52.41 C ATOM 1325 C LYS A 86 12.292 8.268 -11.229 1.00 72.24 C ATOM 1326 O LYS A 86 12.309 9.135 -10.357 1.00 12.14 O ATOM 1327 CB LYS A 86 13.504 8.736 -13.438 1.00 14.22 C ATOM 1328 CG LYS A 86 12.726 7.928 -14.480 1.00 24.43 C ATOM 1329 CD LYS A 86 12.645 8.682 -15.809 1.00 71.23 C ATOM 1330 CE LYS A 86 13.831 8.333 -16.711 1.00 51.35 C ATOM 1331 NZ LYS A 86 13.501 8.603 -18.128 1.00 32.04 N1+ ATOM 0 H LYS A 86 12.954 6.139 -12.837 1.00 70.13 H new ATOM 0 HA LYS A 86 14.386 8.420 -11.554 1.00 52.41 H new ATOM 0 HB2 LYS A 86 13.046 9.718 -13.317 1.00 14.22 H new ATOM 0 HB3 LYS A 86 14.523 8.901 -13.787 1.00 14.22 H new ATOM 0 HG2 LYS A 86 13.210 6.964 -14.634 1.00 24.43 H new ATOM 0 HG3 LYS A 86 11.721 7.724 -14.111 1.00 24.43 H new ATOM 0 HD2 LYS A 86 11.713 8.433 -16.316 1.00 71.23 H new ATOM 0 HD3 LYS A 86 12.630 9.756 -15.622 1.00 71.23 H new ATOM 0 HE2 LYS A 86 14.703 8.917 -16.417 1.00 51.35 H new ATOM 0 HE3 LYS A 86 14.094 7.282 -16.586 1.00 51.35 H new ATOM 0 HZ1 LYS A 86 14.316 8.361 -18.727 1.00 32.04 H new ATOM 0 HZ2 LYS A 86 12.682 8.027 -18.409 1.00 32.04 H new ATOM 0 HZ3 LYS A 86 13.273 9.611 -18.245 1.00 32.04 H new ATOM 1344 N LYS A 87 11.249 7.499 -11.504 1.00 51.43 N ATOM 1345 CA LYS A 87 10.006 7.632 -10.765 1.00 71.11 C ATOM 1346 C LYS A 87 10.204 7.105 -9.342 1.00 30.25 C ATOM 1347 O LYS A 87 10.993 6.188 -9.121 1.00 52.34 O ATOM 1348 CB LYS A 87 8.859 6.957 -11.518 1.00 51.42 C ATOM 1349 CG LYS A 87 8.326 7.860 -12.632 1.00 42.12 C ATOM 1350 CD LYS A 87 7.324 8.877 -12.082 1.00 3.45 C ATOM 1351 CE LYS A 87 5.940 8.247 -11.916 1.00 15.15 C ATOM 1352 NZ LYS A 87 5.182 8.321 -13.185 1.00 2.13 N1+ ATOM 0 H LYS A 87 11.240 6.781 -12.229 1.00 51.43 H new ATOM 0 HA LYS A 87 9.725 8.682 -10.680 1.00 71.11 H new ATOM 0 HB2 LYS A 87 9.204 6.014 -11.943 1.00 51.42 H new ATOM 0 HB3 LYS A 87 8.054 6.718 -10.823 1.00 51.42 H new ATOM 0 HG2 LYS A 87 9.155 8.383 -13.109 1.00 42.12 H new ATOM 0 HG3 LYS A 87 7.848 7.252 -13.400 1.00 42.12 H new ATOM 0 HD2 LYS A 87 7.674 9.254 -11.121 1.00 3.45 H new ATOM 0 HD3 LYS A 87 7.260 9.731 -12.756 1.00 3.45 H new ATOM 0 HE2 LYS A 87 6.042 7.207 -11.606 1.00 15.15 H new ATOM 0 HE3 LYS A 87 5.392 8.762 -11.127 1.00 15.15 H new ATOM 0 HZ1 LYS A 87 4.245 7.889 -13.055 1.00 2.13 H new ATOM 0 HZ2 LYS A 87 5.069 9.316 -13.464 1.00 2.13 H new ATOM 0 HZ3 LYS A 87 5.699 7.810 -13.928 1.00 2.13 H new ATOM 1365 N LYS A 88 9.471 7.704 -8.416 1.00 73.34 N ATOM 1366 CA LYS A 88 9.557 7.306 -7.021 1.00 10.55 C ATOM 1367 C LYS A 88 8.520 6.215 -6.743 1.00 15.32 C ATOM 1368 O LYS A 88 8.822 5.221 -6.086 1.00 51.24 O ATOM 1369 CB LYS A 88 9.427 8.525 -6.106 1.00 73.43 C ATOM 1370 CG LYS A 88 10.292 9.683 -6.609 1.00 35.34 C ATOM 1371 CD LYS A 88 11.763 9.464 -6.252 1.00 1.31 C ATOM 1372 CE LYS A 88 12.626 10.628 -6.744 1.00 44.14 C ATOM 1373 NZ LYS A 88 12.849 10.528 -8.205 1.00 21.31 N1+ ATOM 0 H LYS A 88 8.815 8.462 -8.604 1.00 73.34 H new ATOM 0 HA LYS A 88 10.537 6.879 -6.806 1.00 10.55 H new ATOM 0 HB2 LYS A 88 8.384 8.839 -6.059 1.00 73.43 H new ATOM 0 HB3 LYS A 88 9.725 8.257 -5.093 1.00 73.43 H new ATOM 0 HG2 LYS A 88 10.187 9.777 -7.690 1.00 35.34 H new ATOM 0 HG3 LYS A 88 9.943 10.619 -6.172 1.00 35.34 H new ATOM 0 HD2 LYS A 88 11.867 9.361 -5.172 1.00 1.31 H new ATOM 0 HD3 LYS A 88 12.114 8.533 -6.697 1.00 1.31 H new ATOM 0 HE2 LYS A 88 12.139 11.574 -6.509 1.00 44.14 H new ATOM 0 HE3 LYS A 88 13.583 10.624 -6.223 1.00 44.14 H new ATOM 0 HZ1 LYS A 88 13.870 10.506 -8.400 1.00 21.31 H new ATOM 0 HZ2 LYS A 88 12.409 9.657 -8.565 1.00 21.31 H new ATOM 0 HZ3 LYS A 88 12.424 11.351 -8.678 1.00 21.31 H new ATOM 1386 N GLU A 89 7.320 6.441 -7.257 1.00 4.13 N ATOM 1387 CA GLU A 89 6.236 5.490 -7.071 1.00 30.31 C ATOM 1388 C GLU A 89 6.660 4.102 -7.558 1.00 34.03 C ATOM 1389 O GLU A 89 6.439 3.106 -6.872 1.00 20.11 O ATOM 1390 CB GLU A 89 4.968 5.958 -7.786 1.00 13.22 C ATOM 1391 CG GLU A 89 4.427 7.243 -7.157 1.00 72.24 C ATOM 1392 CD GLU A 89 3.390 7.906 -8.067 1.00 43.14 C ATOM 1393 OE1 GLU A 89 3.748 8.746 -8.905 1.00 43.15 O ATOM 1394 OE2 GLU A 89 2.174 7.517 -7.880 1.00 73.44 O1- ATOM 0 H GLU A 89 7.074 7.268 -7.802 1.00 4.13 H new ATOM 0 HA GLU A 89 6.011 5.428 -6.006 1.00 30.31 H new ATOM 0 HB2 GLU A 89 5.183 6.128 -8.841 1.00 13.22 H new ATOM 0 HB3 GLU A 89 4.209 5.177 -7.737 1.00 13.22 H new ATOM 0 HG2 GLU A 89 3.976 7.017 -6.191 1.00 72.24 H new ATOM 0 HG3 GLU A 89 5.249 7.935 -6.972 1.00 72.24 H new ATOM 1402 N GLU A 90 7.259 4.082 -8.740 1.00 5.05 N ATOM 1403 CA GLU A 90 7.715 2.833 -9.326 1.00 64.24 C ATOM 1404 C GLU A 90 8.666 2.113 -8.370 1.00 42.35 C ATOM 1405 O GLU A 90 8.734 0.885 -8.364 1.00 45.31 O ATOM 1406 CB GLU A 90 8.380 3.076 -10.683 1.00 25.43 C ATOM 1407 CG GLU A 90 7.352 3.031 -11.814 1.00 31.10 C ATOM 1408 CD GLU A 90 6.387 4.215 -11.725 1.00 25.43 C ATOM 1409 OE1 GLU A 90 5.621 4.319 -10.755 1.00 53.11 O ATOM 1410 OE2 GLU A 90 6.451 5.047 -12.709 1.00 24.22 O1- ATOM 0 H GLU A 90 7.439 4.910 -9.307 1.00 5.05 H new ATOM 0 HA GLU A 90 6.848 2.194 -9.492 1.00 64.24 H new ATOM 0 HB2 GLU A 90 8.879 4.045 -10.679 1.00 25.43 H new ATOM 0 HB3 GLU A 90 9.149 2.322 -10.855 1.00 25.43 H new ATOM 0 HG2 GLU A 90 7.864 3.046 -12.776 1.00 31.10 H new ATOM 0 HG3 GLU A 90 6.793 2.097 -11.765 1.00 31.10 H new ATOM 1418 N ARG A 91 9.376 2.908 -7.583 1.00 31.35 N ATOM 1419 CA ARG A 91 10.321 2.361 -6.624 1.00 20.15 C ATOM 1420 C ARG A 91 9.597 1.954 -5.339 1.00 3.32 C ATOM 1421 O ARG A 91 10.018 1.024 -4.652 1.00 1.04 O ATOM 1422 CB ARG A 91 11.413 3.378 -6.285 1.00 14.11 C ATOM 1423 CG ARG A 91 12.601 3.243 -7.240 1.00 42.25 C ATOM 1424 CD ARG A 91 13.905 3.656 -6.553 1.00 41.32 C ATOM 1425 NE ARG A 91 13.849 5.087 -6.180 1.00 5.33 N ATOM 1426 CZ ARG A 91 14.212 6.098 -6.998 1.00 1.11 C ATOM 1427 NH1 ARG A 91 14.661 5.842 -8.246 1.00 41.21 N ATOM 1428 NH2 ARG A 91 14.121 7.340 -6.560 1.00 32.24 N1+ ATOM 0 H ARG A 91 9.316 3.926 -7.590 1.00 31.35 H new ATOM 0 HA ARG A 91 10.784 1.485 -7.078 1.00 20.15 H new ATOM 0 HB2 ARG A 91 11.006 4.388 -6.345 1.00 14.11 H new ATOM 0 HB3 ARG A 91 11.748 3.229 -5.258 1.00 14.11 H new ATOM 0 HG2 ARG A 91 12.679 2.212 -7.587 1.00 42.25 H new ATOM 0 HG3 ARG A 91 12.437 3.864 -8.121 1.00 42.25 H new ATOM 0 HD2 ARG A 91 14.066 3.046 -5.664 1.00 41.32 H new ATOM 0 HD3 ARG A 91 14.749 3.478 -7.219 1.00 41.32 H new ATOM 0 HE ARG A 91 13.515 5.325 -5.246 1.00 5.33 H new ATOM 0 HH11 ARG A 91 14.728 4.879 -8.577 1.00 41.21 H new ATOM 0 HH12 ARG A 91 14.933 6.611 -8.858 1.00 41.21 H new ATOM 0 HH21 ARG A 91 13.781 7.524 -5.616 1.00 32.24 H new ATOM 0 HH22 ARG A 91 14.391 8.115 -7.165 1.00 32.24 H new ATOM 1441 N ALA A 92 8.520 2.671 -5.052 1.00 43.14 N ATOM 1442 CA ALA A 92 7.734 2.395 -3.862 1.00 61.50 C ATOM 1443 C ALA A 92 7.092 1.011 -3.987 1.00 12.24 C ATOM 1444 O ALA A 92 7.257 0.166 -3.109 1.00 11.23 O ATOM 1445 CB ALA A 92 6.696 3.504 -3.669 1.00 62.14 C ATOM 0 H ALA A 92 8.174 3.442 -5.623 1.00 43.14 H new ATOM 0 HA ALA A 92 8.370 2.383 -2.977 1.00 61.50 H new ATOM 0 HB1 ALA A 92 6.105 3.298 -2.776 1.00 62.14 H new ATOM 0 HB2 ALA A 92 7.204 4.462 -3.555 1.00 62.14 H new ATOM 0 HB3 ALA A 92 6.039 3.543 -4.538 1.00 62.14 H new ATOM 1451 N ASP A 93 6.375 0.825 -5.086 1.00 75.33 N ATOM 1452 CA ASP A 93 5.709 -0.442 -5.337 1.00 73.40 C ATOM 1453 C ASP A 93 6.750 -1.563 -5.374 1.00 31.00 C ATOM 1454 O ASP A 93 6.648 -2.534 -4.627 1.00 62.34 O ATOM 1455 CB ASP A 93 4.984 -0.425 -6.683 1.00 62.14 C ATOM 1456 CG ASP A 93 3.838 0.584 -6.789 1.00 74.20 C ATOM 1457 OD1 ASP A 93 4.007 1.775 -6.489 1.00 71.11 O ATOM 1458 OD2 ASP A 93 2.719 0.096 -7.204 1.00 64.24 O1- ATOM 0 H ASP A 93 6.241 1.529 -5.812 1.00 75.33 H new ATOM 0 HA ASP A 93 4.985 -0.606 -4.539 1.00 73.40 H new ATOM 0 HB2 ASP A 93 5.710 -0.210 -7.467 1.00 62.14 H new ATOM 0 HB3 ASP A 93 4.589 -1.422 -6.878 1.00 62.14 H new ATOM 1464 N LEU A 94 7.728 -1.389 -6.251 1.00 12.24 N ATOM 1465 CA LEU A 94 8.786 -2.373 -6.395 1.00 1.33 C ATOM 1466 C LEU A 94 9.365 -2.701 -5.016 1.00 21.32 C ATOM 1467 O LEU A 94 9.858 -3.804 -4.793 1.00 4.12 O ATOM 1468 CB LEU A 94 9.834 -1.891 -7.402 1.00 1.22 C ATOM 1469 CG LEU A 94 11.043 -2.805 -7.601 1.00 64.13 C ATOM 1470 CD1 LEU A 94 12.082 -2.590 -6.499 1.00 14.55 C ATOM 1471 CD2 LEU A 94 10.613 -4.270 -7.705 1.00 54.24 C ATOM 0 H LEU A 94 7.809 -0.581 -6.869 1.00 12.24 H new ATOM 0 HA LEU A 94 8.388 -3.302 -6.803 1.00 1.33 H new ATOM 0 HB2 LEU A 94 9.345 -1.753 -8.367 1.00 1.22 H new ATOM 0 HB3 LEU A 94 10.192 -0.912 -7.083 1.00 1.22 H new ATOM 0 HG LEU A 94 11.517 -2.541 -8.546 1.00 64.13 H new ATOM 0 HD11 LEU A 94 12.931 -3.253 -6.665 1.00 14.55 H new ATOM 0 HD12 LEU A 94 12.421 -1.554 -6.516 1.00 14.55 H new ATOM 0 HD13 LEU A 94 11.635 -2.809 -5.529 1.00 14.55 H new ATOM 0 HD21 LEU A 94 11.493 -4.898 -7.846 1.00 54.24 H new ATOM 0 HD22 LEU A 94 10.100 -4.564 -6.789 1.00 54.24 H new ATOM 0 HD23 LEU A 94 9.940 -4.392 -8.554 1.00 54.24 H new ATOM 1483 N ILE A 95 9.284 -1.720 -4.129 1.00 21.15 N ATOM 1484 CA ILE A 95 9.792 -1.891 -2.778 1.00 63.21 C ATOM 1485 C ILE A 95 8.703 -2.513 -1.902 1.00 63.41 C ATOM 1486 O ILE A 95 9.003 -3.220 -0.942 1.00 23.11 O ATOM 1487 CB ILE A 95 10.333 -0.565 -2.238 1.00 43.12 C ATOM 1488 CG1 ILE A 95 11.664 -0.205 -2.901 1.00 32.14 C ATOM 1489 CG2 ILE A 95 10.444 -0.599 -0.712 1.00 73.02 C ATOM 1490 CD1 ILE A 95 11.996 1.274 -2.699 1.00 73.24 C ATOM 0 H ILE A 95 8.875 -0.805 -4.319 1.00 21.15 H new ATOM 0 HA ILE A 95 10.637 -2.580 -2.773 1.00 63.21 H new ATOM 0 HB ILE A 95 9.623 0.222 -2.492 1.00 43.12 H new ATOM 0 HG12 ILE A 95 12.461 -0.820 -2.483 1.00 32.14 H new ATOM 0 HG13 ILE A 95 11.615 -0.428 -3.967 1.00 32.14 H new ATOM 0 HG21 ILE A 95 10.831 0.355 -0.354 1.00 73.02 H new ATOM 0 HG22 ILE A 95 9.459 -0.777 -0.279 1.00 73.02 H new ATOM 0 HG23 ILE A 95 11.121 -1.400 -0.414 1.00 73.02 H new ATOM 0 HD11 ILE A 95 12.947 1.502 -3.180 1.00 73.24 H new ATOM 0 HD12 ILE A 95 11.210 1.887 -3.140 1.00 73.24 H new ATOM 0 HD13 ILE A 95 12.068 1.488 -1.633 1.00 73.24 H new ATOM 1502 N ALA A 96 7.461 -2.227 -2.265 1.00 32.22 N ATOM 1503 CA ALA A 96 6.326 -2.750 -1.524 1.00 61.14 C ATOM 1504 C ALA A 96 6.238 -4.263 -1.735 1.00 33.13 C ATOM 1505 O ALA A 96 5.726 -4.983 -0.880 1.00 22.11 O ATOM 1506 CB ALA A 96 5.053 -2.024 -1.963 1.00 55.41 C ATOM 0 H ALA A 96 7.216 -1.640 -3.062 1.00 32.22 H new ATOM 0 HA ALA A 96 6.450 -2.574 -0.456 1.00 61.14 H new ATOM 0 HB1 ALA A 96 4.201 -2.416 -1.408 1.00 55.41 H new ATOM 0 HB2 ALA A 96 5.156 -0.957 -1.765 1.00 55.41 H new ATOM 0 HB3 ALA A 96 4.894 -2.181 -3.030 1.00 55.41 H new ATOM 1512 N TYR A 97 6.744 -4.699 -2.880 1.00 60.33 N ATOM 1513 CA TYR A 97 6.729 -6.113 -3.214 1.00 13.11 C ATOM 1514 C TYR A 97 8.051 -6.781 -2.831 1.00 22.34 C ATOM 1515 O TYR A 97 8.083 -7.972 -2.525 1.00 64.42 O ATOM 1516 CB TYR A 97 6.555 -6.184 -4.732 1.00 3.14 C ATOM 1517 CG TYR A 97 7.085 -7.476 -5.359 1.00 15.05 C ATOM 1518 CD1 TYR A 97 6.828 -8.691 -4.756 1.00 21.51 C ATOM 1519 CD2 TYR A 97 7.820 -7.426 -6.526 1.00 74.52 C ATOM 1520 CE1 TYR A 97 7.326 -9.907 -5.346 1.00 54.24 C ATOM 1521 CE2 TYR A 97 8.319 -8.642 -7.115 1.00 1.23 C ATOM 1522 CZ TYR A 97 8.047 -9.822 -6.496 1.00 73.54 C ATOM 1523 OH TYR A 97 8.517 -10.971 -7.053 1.00 60.45 O ATOM 0 H TYR A 97 7.167 -4.098 -3.587 1.00 60.33 H new ATOM 0 HA TYR A 97 5.932 -6.627 -2.677 1.00 13.11 H new ATOM 0 HB2 TYR A 97 5.496 -6.084 -4.971 1.00 3.14 H new ATOM 0 HB3 TYR A 97 7.066 -5.335 -5.186 1.00 3.14 H new ATOM 0 HD1 TYR A 97 6.254 -8.730 -3.842 1.00 21.51 H new ATOM 0 HD2 TYR A 97 8.021 -6.475 -6.997 1.00 74.52 H new ATOM 0 HE1 TYR A 97 7.131 -10.864 -4.886 1.00 54.24 H new ATOM 0 HE2 TYR A 97 8.896 -8.617 -8.028 1.00 1.23 H new ATOM 0 HH TYR A 97 9.172 -10.753 -7.748 1.00 60.45 H new ATOM 1533 N LEU A 98 9.109 -5.986 -2.862 1.00 52.20 N ATOM 1534 CA LEU A 98 10.431 -6.486 -2.523 1.00 32.23 C ATOM 1535 C LEU A 98 10.520 -6.693 -1.009 1.00 0.11 C ATOM 1536 O LEU A 98 11.058 -7.699 -0.548 1.00 31.23 O ATOM 1537 CB LEU A 98 11.514 -5.560 -3.080 1.00 12.22 C ATOM 1538 CG LEU A 98 11.992 -5.866 -4.500 1.00 61.35 C ATOM 1539 CD1 LEU A 98 13.184 -4.986 -4.880 1.00 55.52 C ATOM 1540 CD2 LEU A 98 12.304 -7.355 -4.665 1.00 14.05 C ATOM 0 H LEU A 98 9.079 -4.999 -3.117 1.00 52.20 H new ATOM 0 HA LEU A 98 10.602 -7.456 -2.990 1.00 32.23 H new ATOM 0 HB2 LEU A 98 11.137 -4.538 -3.057 1.00 12.22 H new ATOM 0 HB3 LEU A 98 12.375 -5.597 -2.412 1.00 12.22 H new ATOM 0 HG LEU A 98 11.183 -5.628 -5.190 1.00 61.35 H new ATOM 0 HD11 LEU A 98 13.504 -5.224 -5.894 1.00 55.52 H new ATOM 0 HD12 LEU A 98 12.893 -3.937 -4.828 1.00 55.52 H new ATOM 0 HD13 LEU A 98 14.006 -5.169 -4.188 1.00 55.52 H new ATOM 0 HD21 LEU A 98 12.642 -7.545 -5.684 1.00 14.05 H new ATOM 0 HD22 LEU A 98 13.087 -7.643 -3.963 1.00 14.05 H new ATOM 0 HD23 LEU A 98 11.406 -7.939 -4.466 1.00 14.05 H new ATOM 1552 N LYS A 99 9.983 -5.726 -0.279 1.00 42.13 N ATOM 1553 CA LYS A 99 9.995 -5.791 1.173 1.00 65.14 C ATOM 1554 C LYS A 99 8.988 -6.844 1.640 1.00 74.10 C ATOM 1555 O LYS A 99 9.034 -7.285 2.788 1.00 12.40 O ATOM 1556 CB LYS A 99 9.756 -4.404 1.772 1.00 53.10 C ATOM 1557 CG LYS A 99 9.939 -4.424 3.291 1.00 51.40 C ATOM 1558 CD LYS A 99 9.705 -3.036 3.891 1.00 53.31 C ATOM 1559 CE LYS A 99 9.550 -3.114 5.411 1.00 14.20 C ATOM 1560 NZ LYS A 99 9.363 -1.762 5.983 1.00 30.50 N1+ ATOM 0 H LYS A 99 9.537 -4.894 -0.665 1.00 42.13 H new ATOM 0 HA LYS A 99 10.975 -6.105 1.533 1.00 65.14 H new ATOM 0 HB2 LYS A 99 10.448 -3.688 1.328 1.00 53.10 H new ATOM 0 HB3 LYS A 99 8.749 -4.067 1.528 1.00 53.10 H new ATOM 0 HG2 LYS A 99 9.245 -5.137 3.735 1.00 51.40 H new ATOM 0 HG3 LYS A 99 10.945 -4.764 3.535 1.00 51.40 H new ATOM 0 HD2 LYS A 99 10.540 -2.382 3.640 1.00 53.31 H new ATOM 0 HD3 LYS A 99 8.811 -2.593 3.453 1.00 53.31 H new ATOM 0 HE2 LYS A 99 8.697 -3.743 5.664 1.00 14.20 H new ATOM 0 HE3 LYS A 99 10.432 -3.582 5.849 1.00 14.20 H new ATOM 0 HZ1 LYS A 99 9.259 -1.833 7.015 1.00 30.50 H new ATOM 0 HZ2 LYS A 99 10.190 -1.172 5.758 1.00 30.50 H new ATOM 0 HZ3 LYS A 99 8.508 -1.329 5.578 1.00 30.50 H new ATOM 1573 N LYS A 100 8.104 -7.218 0.727 1.00 45.50 N ATOM 1574 CA LYS A 100 7.088 -8.211 1.032 1.00 71.42 C ATOM 1575 C LYS A 100 7.496 -9.554 0.422 1.00 15.31 C ATOM 1576 O LYS A 100 6.951 -10.595 0.785 1.00 13.03 O ATOM 1577 CB LYS A 100 5.709 -7.724 0.581 1.00 23.01 C ATOM 1578 CG LYS A 100 4.597 -8.549 1.231 1.00 62.30 C ATOM 1579 CD LYS A 100 3.248 -8.269 0.565 1.00 21.42 C ATOM 1580 CE LYS A 100 2.676 -6.927 1.025 1.00 4.03 C ATOM 1581 NZ LYS A 100 1.333 -6.710 0.444 1.00 72.11 N1+ ATOM 0 H LYS A 100 8.070 -6.851 -0.224 1.00 45.50 H new ATOM 0 HA LYS A 100 7.011 -8.359 2.109 1.00 71.42 H new ATOM 0 HB2 LYS A 100 5.587 -6.673 0.842 1.00 23.01 H new ATOM 0 HB3 LYS A 100 5.632 -7.794 -0.504 1.00 23.01 H new ATOM 0 HG2 LYS A 100 4.833 -9.610 1.152 1.00 62.30 H new ATOM 0 HG3 LYS A 100 4.538 -8.314 2.294 1.00 62.30 H new ATOM 0 HD2 LYS A 100 3.367 -8.265 -0.518 1.00 21.42 H new ATOM 0 HD3 LYS A 100 2.547 -9.068 0.805 1.00 21.42 H new ATOM 0 HE2 LYS A 100 2.616 -6.904 2.113 1.00 4.03 H new ATOM 0 HE3 LYS A 100 3.343 -6.119 0.726 1.00 4.03 H new ATOM 0 HZ1 LYS A 100 0.959 -5.795 0.766 1.00 72.11 H new ATOM 0 HZ2 LYS A 100 1.399 -6.711 -0.594 1.00 72.11 H new ATOM 0 HZ3 LYS A 100 0.695 -7.472 0.751 1.00 72.11 H new ATOM 1594 N ALA A 101 8.451 -9.487 -0.494 1.00 64.02 N ATOM 1595 CA ALA A 101 8.937 -10.684 -1.158 1.00 24.13 C ATOM 1596 C ALA A 101 9.956 -11.383 -0.257 1.00 72.45 C ATOM 1597 O ALA A 101 9.966 -12.609 -0.158 1.00 21.11 O ATOM 1598 CB ALA A 101 9.523 -10.310 -2.521 1.00 75.14 C ATOM 0 H ALA A 101 8.901 -8.622 -0.792 1.00 64.02 H new ATOM 0 HA ALA A 101 8.120 -11.383 -1.336 1.00 24.13 H new ATOM 0 HB1 ALA A 101 9.888 -11.208 -3.019 1.00 75.14 H new ATOM 0 HB2 ALA A 101 8.751 -9.843 -3.133 1.00 75.14 H new ATOM 0 HB3 ALA A 101 10.348 -9.611 -2.383 1.00 75.14 H new ATOM 1604 N THR A 102 10.791 -10.573 0.379 1.00 15.34 N ATOM 1605 CA THR A 102 11.812 -11.097 1.269 1.00 4.43 C ATOM 1606 C THR A 102 11.288 -11.158 2.705 1.00 51.23 C ATOM 1607 O THR A 102 12.070 -11.195 3.654 1.00 33.25 O ATOM 1608 CB THR A 102 13.064 -10.232 1.114 1.00 53.10 C ATOM 1609 OG1 THR A 102 12.752 -9.040 1.831 1.00 60.21 O ATOM 1610 CG2 THR A 102 13.274 -9.758 -0.325 1.00 73.13 C ATOM 0 H THR A 102 10.780 -9.557 0.295 1.00 15.34 H new ATOM 0 HA THR A 102 12.075 -12.122 1.009 1.00 4.43 H new ATOM 0 HB THR A 102 13.938 -10.796 1.441 1.00 53.10 H new ATOM 0 HG1 THR A 102 12.146 -8.486 1.296 1.00 60.21 H new ATOM 0 HG21 THR A 102 14.176 -9.148 -0.379 1.00 73.13 H new ATOM 0 HG22 THR A 102 13.380 -10.622 -0.981 1.00 73.13 H new ATOM 0 HG23 THR A 102 12.416 -9.165 -0.642 1.00 73.13 H new ATOM 1618 N ASN A 103 9.968 -11.164 2.821 1.00 70.44 N ATOM 1619 CA ASN A 103 9.331 -11.219 4.124 1.00 11.44 C ATOM 1620 C ASN A 103 8.321 -12.369 4.146 1.00 44.21 C ATOM 1621 O ASN A 103 8.344 -13.204 5.049 1.00 20.15 O ATOM 1622 CB ASN A 103 8.577 -9.922 4.425 1.00 54.20 C ATOM 1623 CG ASN A 103 7.679 -10.080 5.653 1.00 33.53 C ATOM 1624 OD1 ASN A 103 8.122 -10.034 6.788 1.00 4.43 O ATOM 1625 ND2 ASN A 103 6.395 -10.270 5.363 1.00 23.31 N ATOM 0 H ASN A 103 9.322 -11.132 2.032 1.00 70.44 H new ATOM 0 HA ASN A 103 10.109 -11.365 4.873 1.00 11.44 H new ATOM 0 HB2 ASN A 103 9.289 -9.114 4.593 1.00 54.20 H new ATOM 0 HB3 ASN A 103 7.973 -9.640 3.563 1.00 54.20 H new ATOM 0 HD21 ASN A 103 5.715 -10.388 6.114 1.00 23.31 H new ATOM 0 HD22 ASN A 103 6.091 -10.298 4.390 1.00 23.31 H new ATOM 1632 N GLU A 104 7.457 -12.373 3.142 1.00 23.13 N ATOM 1633 CA GLU A 104 6.440 -13.406 3.033 1.00 54.13 C ATOM 1634 C GLU A 104 7.015 -14.763 3.446 1.00 73.12 C ATOM 1635 O GLU A 104 6.434 -15.804 3.147 1.00 31.02 O ATOM 1636 CB GLU A 104 5.864 -13.462 1.617 1.00 64.13 C ATOM 1637 CG GLU A 104 4.819 -12.365 1.406 1.00 74.30 C ATOM 1638 CD GLU A 104 3.440 -12.822 1.885 1.00 30.24 C ATOM 1639 OE1 GLU A 104 2.417 -12.382 1.339 1.00 70.41 O ATOM 1640 OE2 GLU A 104 3.452 -13.668 2.858 1.00 71.21 O1- ATOM 0 H GLU A 104 7.440 -11.677 2.396 1.00 23.13 H new ATOM 0 HA GLU A 104 5.624 -13.158 3.711 1.00 54.13 H new ATOM 0 HB2 GLU A 104 6.667 -13.349 0.889 1.00 64.13 H new ATOM 0 HB3 GLU A 104 5.412 -14.438 1.443 1.00 64.13 H new ATOM 0 HG2 GLU A 104 5.116 -11.466 1.946 1.00 74.30 H new ATOM 0 HG3 GLU A 104 4.772 -12.101 0.349 1.00 74.30 H new