USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=26 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 15:sc= -0.129 USER MOD Set 1.2: A 80 MET CE :methyl -133:sc= -0.567 (180deg=-0.327) USER MOD Set 2.1: A 17 CYS SG : rot 180:sc= -1.1 USER MOD Set 2.2: A 28 THR OG1 : rot 165:sc= 0.0447 USER MOD Set 3.1: A 19 THR OG1 : rot -144:sc= 0.0144 USER MOD Set 3.2: A 31 ASN : amide:sc= -1.7 K(o=-1.7,f=-8.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 157:sc= -0.0492 (180deg=-0.33) USER MOD Single : A 8 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.515) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= -1.08 USER MOD Single : A 15 SER OG : rot -88:sc= 1.11 USER MOD Single : A 16 GLN : amide:sc= -0.0613 X(o=-0.061,f=-0.47) USER MOD Single : A 18 HIS : no HD1:sc= -2.87! C(o=-2.9!,f=-5.5!) USER MOD Single : A 25 LYS NZ :NH3+ -124:sc= -0.951 (180deg=-3.18!) USER MOD Single : A 26 HIS : no HD1:sc= -0.73 X(o=-0.73,f=-0.57) USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= -2.27 (180deg=-3.07!) USER MOD Single : A 33 HIS : no HD1:sc= -0.0882 X(o=-0.088,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 88:sc= 0.562 USER MOD Single : A 42 GLN : amide:sc= -0.867 X(o=-0.87,f=-0.39) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0.00303 USER MOD Single : A 48 TYR OH : rot 180:sc= -4.37! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0588 USER MOD Single : A 52 ASN : amide:sc= -5.95! C(o=-6!,f=-8.4!) USER MOD Single : A 53 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0195) USER MOD Single : A 54 ASN : amide:sc= -0.0161 X(o=-0.016,f=0.047) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -111:sc= -0.698 USER MOD Single : A 65 MET CE :methyl 177:sc= -1.39 (180deg=-1.49) USER MOD Single : A 70 ASN : amide:sc= -2.78! C(o=-2.8!,f=-2.2!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -110:sc= -0.333 (180deg=-2.14!) USER MOD Single : A 74 TYR OH : rot 130:sc= -3.59! USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.265 USER MOD Single : A 79 LYS NZ :NH3+ 177:sc= -1.3 (180deg=-1.37) 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+ -143:sc= 0.037 (180deg=-0.283) USER MOD Single : A 97 TYR OH : rot -177:sc= -0.39 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 -84:sc= -0.477 USER MOD Single : A 103 ASN : amide:sc= -2.2! C(o=-2.2!,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.849 -0.322 -0.408 1.00 24.45 N ATOM 2 CA GLY A 1 1.964 -0.443 -1.332 1.00 4.32 C ATOM 3 C GLY A 1 1.809 -1.679 -2.220 1.00 34.12 C ATOM 4 O GLY A 1 2.341 -2.743 -1.908 1.00 52.20 O ATOM 0 H1 GLY A 1 0.978 0.524 0.183 1.00 24.45 H new ATOM 0 H2 GLY A 1 -0.038 -0.238 -0.944 1.00 24.45 H new ATOM 0 H3 GLY A 1 0.808 -1.165 0.199 1.00 24.45 H new ATOM 0 HA2 GLY A 1 2.024 0.450 -1.954 1.00 4.32 H new ATOM 0 HA3 GLY A 1 2.898 -0.507 -0.774 1.00 4.32 H new ATOM 8 N ASP A 2 1.076 -1.497 -3.310 1.00 42.55 N ATOM 9 CA ASP A 2 0.844 -2.584 -4.245 1.00 3.31 C ATOM 10 C ASP A 2 2.144 -3.367 -4.445 1.00 4.41 C ATOM 11 O ASP A 2 3.233 -2.819 -4.282 1.00 51.34 O ATOM 12 CB ASP A 2 0.398 -2.053 -5.609 1.00 52.41 C ATOM 13 CG ASP A 2 -1.025 -1.491 -5.650 1.00 63.04 C ATOM 14 OD1 ASP A 2 -1.759 -1.539 -4.652 1.00 4.01 O ATOM 15 OD2 ASP A 2 -1.377 -0.980 -6.781 1.00 63.42 O1- ATOM 0 H ASP A 2 0.636 -0.613 -3.565 1.00 42.55 H new ATOM 0 HA ASP A 2 0.061 -3.221 -3.832 1.00 3.31 H new ATOM 0 HB2 ASP A 2 1.090 -1.272 -5.922 1.00 52.41 H new ATOM 0 HB3 ASP A 2 0.476 -2.859 -6.339 1.00 52.41 H new ATOM 21 N VAL A 3 1.986 -4.634 -4.795 1.00 75.13 N ATOM 22 CA VAL A 3 3.134 -5.498 -5.018 1.00 75.34 C ATOM 23 C VAL A 3 3.212 -5.858 -6.503 1.00 13.43 C ATOM 24 O VAL A 3 4.268 -5.726 -7.122 1.00 74.44 O ATOM 25 CB VAL A 3 3.052 -6.724 -4.108 1.00 52.14 C ATOM 26 CG1 VAL A 3 3.766 -6.470 -2.779 1.00 34.45 C ATOM 27 CG2 VAL A 3 1.597 -7.140 -3.879 1.00 44.44 C ATOM 0 H VAL A 3 1.081 -5.084 -4.930 1.00 75.13 H new ATOM 0 HA VAL A 3 4.058 -4.981 -4.759 1.00 75.34 H new ATOM 0 HB VAL A 3 3.561 -7.548 -4.609 1.00 52.14 H new ATOM 0 HG11 VAL A 3 3.692 -7.358 -2.151 1.00 34.45 H new ATOM 0 HG12 VAL A 3 4.816 -6.245 -2.967 1.00 34.45 H new ATOM 0 HG13 VAL A 3 3.299 -5.626 -2.271 1.00 34.45 H new ATOM 0 HG21 VAL A 3 1.567 -8.014 -3.229 1.00 44.44 H new ATOM 0 HG22 VAL A 3 1.054 -6.320 -3.410 1.00 44.44 H new ATOM 0 HG23 VAL A 3 1.133 -7.383 -4.835 1.00 44.44 H new ATOM 37 N GLU A 4 2.084 -6.308 -7.031 1.00 51.25 N ATOM 38 CA GLU A 4 2.013 -6.690 -8.431 1.00 54.55 C ATOM 39 C GLU A 4 2.840 -5.728 -9.287 1.00 41.14 C ATOM 40 O GLU A 4 3.715 -6.156 -10.038 1.00 54.03 O ATOM 41 CB GLU A 4 0.561 -6.740 -8.912 1.00 30.12 C ATOM 42 CG GLU A 4 -0.294 -7.607 -7.986 1.00 30.34 C ATOM 43 CD GLU A 4 -1.557 -8.093 -8.700 1.00 64.34 C ATOM 44 OE1 GLU A 4 -2.045 -9.196 -8.413 1.00 52.43 O ATOM 45 OE2 GLU A 4 -2.033 -7.279 -9.580 1.00 73.12 O1- ATOM 0 H GLU A 4 1.211 -6.417 -6.514 1.00 51.25 H new ATOM 0 HA GLU A 4 2.432 -7.691 -8.536 1.00 54.55 H new ATOM 0 HB2 GLU A 4 0.152 -5.730 -8.951 1.00 30.12 H new ATOM 0 HB3 GLU A 4 0.524 -7.138 -9.926 1.00 30.12 H new ATOM 0 HG2 GLU A 4 0.287 -8.464 -7.645 1.00 30.34 H new ATOM 0 HG3 GLU A 4 -0.570 -7.036 -7.100 1.00 30.34 H new ATOM 53 N LYS A 5 2.534 -4.447 -9.144 1.00 75.51 N ATOM 54 CA LYS A 5 3.239 -3.421 -9.894 1.00 13.03 C ATOM 55 C LYS A 5 4.745 -3.673 -9.803 1.00 44.51 C ATOM 56 O LYS A 5 5.447 -3.631 -10.812 1.00 62.31 O ATOM 57 CB LYS A 5 2.819 -2.028 -9.421 1.00 32.11 C ATOM 58 CG LYS A 5 1.477 -1.623 -10.032 1.00 40.51 C ATOM 59 CD LYS A 5 1.643 -1.211 -11.496 1.00 51.43 C ATOM 60 CE LYS A 5 0.409 -0.458 -11.998 1.00 34.33 C ATOM 61 NZ LYS A 5 0.485 0.971 -11.619 1.00 61.11 N1+ ATOM 0 H LYS A 5 1.807 -4.096 -8.520 1.00 75.51 H new ATOM 0 HA LYS A 5 2.971 -3.468 -10.949 1.00 13.03 H new ATOM 0 HB2 LYS A 5 2.746 -2.016 -8.334 1.00 32.11 H new ATOM 0 HB3 LYS A 5 3.583 -1.301 -9.697 1.00 32.11 H new ATOM 0 HG2 LYS A 5 0.776 -2.454 -9.962 1.00 40.51 H new ATOM 0 HG3 LYS A 5 1.049 -0.797 -9.464 1.00 40.51 H new ATOM 0 HD2 LYS A 5 2.526 -0.581 -11.602 1.00 51.43 H new ATOM 0 HD3 LYS A 5 1.808 -2.096 -12.110 1.00 51.43 H new ATOM 0 HE2 LYS A 5 0.335 -0.550 -13.082 1.00 34.33 H new ATOM 0 HE3 LYS A 5 -0.493 -0.904 -11.578 1.00 34.33 H new ATOM 0 HZ1 LYS A 5 -0.360 1.468 -11.967 1.00 61.11 H new ATOM 0 HZ2 LYS A 5 0.533 1.053 -10.583 1.00 61.11 H new ATOM 0 HZ3 LYS A 5 1.335 1.397 -12.040 1.00 61.11 H new ATOM 74 N GLY A 6 5.198 -3.930 -8.584 1.00 33.14 N ATOM 75 CA GLY A 6 6.608 -4.189 -8.349 1.00 41.25 C ATOM 76 C GLY A 6 6.995 -5.590 -8.828 1.00 61.35 C ATOM 77 O GLY A 6 8.163 -5.850 -9.117 1.00 72.04 O ATOM 0 H GLY A 6 4.613 -3.964 -7.749 1.00 33.14 H new ATOM 0 HA2 GLY A 6 7.210 -3.444 -8.869 1.00 41.25 H new ATOM 0 HA3 GLY A 6 6.827 -4.091 -7.286 1.00 41.25 H new ATOM 81 N LYS A 7 5.995 -6.454 -8.897 1.00 54.25 N ATOM 82 CA LYS A 7 6.216 -7.822 -9.337 1.00 13.43 C ATOM 83 C LYS A 7 6.493 -7.831 -10.841 1.00 11.22 C ATOM 84 O LYS A 7 7.312 -8.615 -11.320 1.00 40.24 O ATOM 85 CB LYS A 7 5.044 -8.714 -8.922 1.00 12.01 C ATOM 86 CG LYS A 7 5.272 -10.160 -9.367 1.00 61.14 C ATOM 87 CD LYS A 7 5.639 -11.048 -8.177 1.00 21.42 C ATOM 88 CE LYS A 7 4.389 -11.672 -7.552 1.00 53.44 C ATOM 89 NZ LYS A 7 3.818 -12.699 -8.452 1.00 74.43 N1+ ATOM 0 H LYS A 7 5.029 -6.235 -8.656 1.00 54.25 H new ATOM 0 HA LYS A 7 7.095 -8.242 -8.848 1.00 13.43 H new ATOM 0 HB2 LYS A 7 4.920 -8.678 -7.840 1.00 12.01 H new ATOM 0 HB3 LYS A 7 4.121 -8.336 -9.361 1.00 12.01 H new ATOM 0 HG2 LYS A 7 4.371 -10.543 -9.847 1.00 61.14 H new ATOM 0 HG3 LYS A 7 6.069 -10.194 -10.110 1.00 61.14 H new ATOM 0 HD2 LYS A 7 6.319 -11.835 -8.502 1.00 21.42 H new ATOM 0 HD3 LYS A 7 6.169 -10.459 -7.429 1.00 21.42 H new ATOM 0 HE2 LYS A 7 4.641 -12.121 -6.591 1.00 53.44 H new ATOM 0 HE3 LYS A 7 3.647 -10.898 -7.357 1.00 53.44 H new ATOM 0 HZ1 LYS A 7 3.245 -13.366 -7.898 1.00 74.43 H new ATOM 0 HZ2 LYS A 7 3.219 -12.239 -9.168 1.00 74.43 H new ATOM 0 HZ3 LYS A 7 4.588 -13.214 -8.924 1.00 74.43 H new ATOM 102 N LYS A 8 5.797 -6.950 -11.544 1.00 45.33 N ATOM 103 CA LYS A 8 5.959 -6.847 -12.985 1.00 12.01 C ATOM 104 C LYS A 8 7.217 -6.035 -13.296 1.00 54.24 C ATOM 105 O LYS A 8 7.966 -6.370 -14.212 1.00 40.24 O ATOM 106 CB LYS A 8 4.689 -6.284 -13.627 1.00 14.42 C ATOM 107 CG LYS A 8 3.555 -7.311 -13.591 1.00 34.03 C ATOM 108 CD LYS A 8 3.827 -8.462 -14.563 1.00 33.34 C ATOM 109 CE LYS A 8 2.537 -9.213 -14.897 1.00 60.43 C ATOM 110 NZ LYS A 8 1.691 -9.353 -13.691 1.00 31.43 N1+ ATOM 0 H LYS A 8 5.120 -6.301 -11.143 1.00 45.33 H new ATOM 0 HA LYS A 8 6.101 -7.834 -13.424 1.00 12.01 H new ATOM 0 HB2 LYS A 8 4.382 -5.379 -13.102 1.00 14.42 H new ATOM 0 HB3 LYS A 8 4.894 -5.999 -14.659 1.00 14.42 H new ATOM 0 HG2 LYS A 8 3.446 -7.702 -12.580 1.00 34.03 H new ATOM 0 HG3 LYS A 8 2.613 -6.827 -13.849 1.00 34.03 H new ATOM 0 HD2 LYS A 8 4.273 -8.072 -15.478 1.00 33.34 H new ATOM 0 HD3 LYS A 8 4.550 -9.150 -14.124 1.00 33.34 H new ATOM 0 HE2 LYS A 8 1.989 -8.679 -15.673 1.00 60.43 H new ATOM 0 HE3 LYS A 8 2.776 -10.198 -15.297 1.00 60.43 H new ATOM 0 HZ1 LYS A 8 1.000 -10.116 -13.839 1.00 31.43 H new ATOM 0 HZ2 LYS A 8 2.289 -9.582 -12.872 1.00 31.43 H new ATOM 0 HZ3 LYS A 8 1.188 -8.460 -13.514 1.00 31.43 H new ATOM 123 N ILE A 9 7.412 -4.983 -12.515 1.00 72.22 N ATOM 124 CA ILE A 9 8.568 -4.120 -12.695 1.00 63.35 C ATOM 125 C ILE A 9 9.833 -4.880 -12.296 1.00 74.32 C ATOM 126 O ILE A 9 10.906 -4.639 -12.847 1.00 34.45 O ATOM 127 CB ILE A 9 8.376 -2.804 -11.939 1.00 33.41 C ATOM 128 CG1 ILE A 9 7.498 -1.836 -12.736 1.00 13.20 C ATOM 129 CG2 ILE A 9 9.725 -2.182 -11.572 1.00 10.42 C ATOM 130 CD1 ILE A 9 7.083 -0.640 -11.879 1.00 3.44 C ATOM 0 H ILE A 9 6.789 -4.708 -11.756 1.00 72.22 H new ATOM 0 HA ILE A 9 8.679 -3.845 -13.744 1.00 63.35 H new ATOM 0 HB ILE A 9 7.854 -3.019 -11.006 1.00 33.41 H new ATOM 0 HG12 ILE A 9 8.040 -1.487 -13.615 1.00 13.20 H new ATOM 0 HG13 ILE A 9 6.610 -2.356 -13.095 1.00 13.20 H new ATOM 0 HG21 ILE A 9 9.561 -1.248 -11.035 1.00 10.42 H new ATOM 0 HG22 ILE A 9 10.283 -2.871 -10.938 1.00 10.42 H new ATOM 0 HG23 ILE A 9 10.293 -1.984 -12.481 1.00 10.42 H new ATOM 0 HD11 ILE A 9 6.460 0.032 -12.469 1.00 3.44 H new ATOM 0 HD12 ILE A 9 6.520 -0.990 -11.014 1.00 3.44 H new ATOM 0 HD13 ILE A 9 7.973 -0.108 -11.542 1.00 3.44 H new ATOM 142 N PHE A 10 9.667 -5.783 -11.341 1.00 22.51 N ATOM 143 CA PHE A 10 10.783 -6.580 -10.862 1.00 30.30 C ATOM 144 C PHE A 10 11.229 -7.591 -11.919 1.00 54.03 C ATOM 145 O PHE A 10 12.330 -8.133 -11.840 1.00 62.33 O ATOM 146 CB PHE A 10 10.293 -7.336 -9.624 1.00 71.01 C ATOM 147 CG PHE A 10 11.148 -8.552 -9.260 1.00 62.01 C ATOM 148 CD1 PHE A 10 12.402 -8.377 -8.763 1.00 53.24 C ATOM 149 CD2 PHE A 10 10.653 -9.807 -9.432 1.00 65.44 C ATOM 150 CE1 PHE A 10 13.194 -9.507 -8.426 1.00 45.31 C ATOM 151 CE2 PHE A 10 11.446 -10.935 -9.094 1.00 63.41 C ATOM 152 CZ PHE A 10 12.700 -10.762 -8.598 1.00 72.24 C ATOM 0 H PHE A 10 8.776 -5.980 -10.886 1.00 22.51 H new ATOM 0 HA PHE A 10 11.631 -5.934 -10.636 1.00 30.30 H new ATOM 0 HB2 PHE A 10 10.274 -6.651 -8.776 1.00 71.01 H new ATOM 0 HB3 PHE A 10 9.267 -7.663 -9.793 1.00 71.01 H new ATOM 0 HD1 PHE A 10 12.795 -7.381 -8.625 1.00 53.24 H new ATOM 0 HD2 PHE A 10 9.657 -9.945 -9.826 1.00 65.44 H new ATOM 0 HE1 PHE A 10 14.190 -9.369 -8.032 1.00 45.31 H new ATOM 0 HE2 PHE A 10 11.053 -11.931 -9.231 1.00 63.41 H new ATOM 0 HZ PHE A 10 13.303 -11.620 -8.341 1.00 72.24 H new ATOM 162 N ILE A 11 10.351 -7.815 -12.886 1.00 5.51 N ATOM 163 CA ILE A 11 10.641 -8.752 -13.958 1.00 1.20 C ATOM 164 C ILE A 11 11.444 -8.039 -15.049 1.00 50.30 C ATOM 165 O ILE A 11 12.559 -8.445 -15.368 1.00 63.10 O ATOM 166 CB ILE A 11 9.351 -9.398 -14.467 1.00 12.30 C ATOM 167 CG1 ILE A 11 8.820 -10.426 -13.466 1.00 73.50 C ATOM 168 CG2 ILE A 11 9.553 -10.004 -15.858 1.00 74.44 C ATOM 169 CD1 ILE A 11 7.372 -10.803 -13.783 1.00 31.21 C ATOM 0 H ILE A 11 9.439 -7.364 -12.949 1.00 5.51 H new ATOM 0 HA ILE A 11 11.258 -9.572 -13.592 1.00 1.20 H new ATOM 0 HB ILE A 11 8.594 -8.620 -14.561 1.00 12.30 H new ATOM 0 HG12 ILE A 11 9.445 -11.318 -13.490 1.00 73.50 H new ATOM 0 HG13 ILE A 11 8.881 -10.021 -12.456 1.00 73.50 H new ATOM 0 HG21 ILE A 11 8.621 -10.457 -16.196 1.00 74.44 H new ATOM 0 HG22 ILE A 11 9.851 -9.222 -16.556 1.00 74.44 H new ATOM 0 HG23 ILE A 11 10.331 -10.766 -15.813 1.00 74.44 H new ATOM 0 HD11 ILE A 11 7.019 -11.535 -13.056 1.00 31.21 H new ATOM 0 HD12 ILE A 11 6.745 -9.913 -13.735 1.00 31.21 H new ATOM 0 HD13 ILE A 11 7.318 -11.231 -14.784 1.00 31.21 H new ATOM 181 N MET A 12 10.845 -6.988 -15.588 1.00 24.33 N ATOM 182 CA MET A 12 11.489 -6.215 -16.637 1.00 1.20 C ATOM 183 C MET A 12 12.763 -5.545 -16.117 1.00 33.53 C ATOM 184 O MET A 12 13.564 -5.035 -16.900 1.00 42.35 O ATOM 185 CB MET A 12 10.524 -5.147 -17.153 1.00 60.40 C ATOM 186 CG MET A 12 9.678 -5.685 -18.308 1.00 23.04 C ATOM 187 SD MET A 12 9.075 -4.333 -19.305 1.00 15.25 S ATOM 188 CE MET A 12 9.541 -4.913 -20.927 1.00 65.42 C ATOM 0 H MET A 12 9.920 -6.653 -15.318 1.00 24.33 H new ATOM 0 HA MET A 12 11.760 -6.892 -17.448 1.00 1.20 H new ATOM 0 HB2 MET A 12 9.873 -4.818 -16.343 1.00 60.40 H new ATOM 0 HB3 MET A 12 11.086 -4.274 -17.485 1.00 60.40 H new ATOM 0 HG2 MET A 12 10.273 -6.362 -18.921 1.00 23.04 H new ATOM 0 HG3 MET A 12 8.840 -6.262 -17.918 1.00 23.04 H new ATOM 0 HE1 MET A 12 9.236 -4.182 -21.676 1.00 65.42 H new ATOM 0 HE2 MET A 12 10.622 -5.047 -20.969 1.00 65.42 H new ATOM 0 HE3 MET A 12 9.050 -5.865 -21.128 1.00 65.42 H new ATOM 198 N LYS A 13 12.911 -5.566 -14.801 1.00 62.15 N ATOM 199 CA LYS A 13 14.073 -4.966 -14.168 1.00 62.04 C ATOM 200 C LYS A 13 14.934 -6.067 -13.545 1.00 3.45 C ATOM 201 O LYS A 13 16.160 -5.961 -13.520 1.00 2.42 O ATOM 202 CB LYS A 13 13.644 -3.885 -13.174 1.00 42.23 C ATOM 203 CG LYS A 13 12.850 -2.781 -13.875 1.00 64.41 C ATOM 204 CD LYS A 13 12.663 -1.572 -12.956 1.00 24.41 C ATOM 205 CE LYS A 13 11.518 -0.682 -13.446 1.00 3.12 C ATOM 206 NZ LYS A 13 11.998 0.250 -14.491 1.00 43.44 N1+ ATOM 0 H LYS A 13 12.245 -5.990 -14.155 1.00 62.15 H new ATOM 0 HA LYS A 13 14.690 -4.458 -14.909 1.00 62.04 H new ATOM 0 HB2 LYS A 13 13.037 -4.331 -12.386 1.00 42.23 H new ATOM 0 HB3 LYS A 13 14.524 -3.457 -12.694 1.00 42.23 H new ATOM 0 HG2 LYS A 13 13.370 -2.475 -14.783 1.00 64.41 H new ATOM 0 HG3 LYS A 13 11.876 -3.165 -14.179 1.00 64.41 H new ATOM 0 HD2 LYS A 13 12.456 -1.911 -11.941 1.00 24.41 H new ATOM 0 HD3 LYS A 13 13.586 -0.994 -12.917 1.00 24.41 H new ATOM 0 HE2 LYS A 13 10.713 -1.300 -13.843 1.00 3.12 H new ATOM 0 HE3 LYS A 13 11.104 -0.118 -12.610 1.00 3.12 H new ATOM 0 HZ1 LYS A 13 11.209 0.847 -14.813 1.00 43.44 H new ATOM 0 HZ2 LYS A 13 12.751 0.852 -14.100 1.00 43.44 H new ATOM 0 HZ3 LYS A 13 12.372 -0.293 -15.295 1.00 43.44 H new ATOM 219 N CYS A 14 14.259 -7.098 -13.058 1.00 12.24 N ATOM 220 CA CYS A 14 14.946 -8.217 -12.438 1.00 32.54 C ATOM 221 C CYS A 14 14.341 -9.513 -12.978 1.00 32.32 C ATOM 222 O CYS A 14 13.538 -10.156 -12.302 1.00 22.25 O ATOM 223 CB CYS A 14 14.877 -8.147 -10.911 1.00 14.53 C ATOM 224 SG CYS A 14 14.643 -6.465 -10.230 1.00 23.33 S ATOM 0 H CYS A 14 13.243 -7.181 -13.081 1.00 12.24 H new ATOM 0 HA CYS A 14 16.006 -8.181 -12.690 1.00 32.54 H new ATOM 0 HB2 CYS A 14 14.058 -8.779 -10.569 1.00 14.53 H new ATOM 0 HB3 CYS A 14 15.796 -8.566 -10.500 1.00 14.53 H new ATOM 0 HG CYS A 14 14.597 -6.525 -8.932 1.00 23.33 H new ATOM 229 N SER A 15 14.748 -9.860 -14.190 1.00 63.31 N ATOM 230 CA SER A 15 14.255 -11.067 -14.828 1.00 52.21 C ATOM 231 C SER A 15 15.401 -12.062 -15.024 1.00 14.32 C ATOM 232 O SER A 15 16.544 -11.662 -15.237 1.00 24.42 O ATOM 233 CB SER A 15 13.592 -10.750 -16.171 1.00 24.11 C ATOM 234 OG SER A 15 14.184 -9.619 -16.804 1.00 62.04 O ATOM 0 H SER A 15 15.414 -9.325 -14.747 1.00 63.31 H new ATOM 0 HA SER A 15 13.502 -11.513 -14.178 1.00 52.21 H new ATOM 0 HB2 SER A 15 13.671 -11.616 -16.828 1.00 24.11 H new ATOM 0 HB3 SER A 15 12.529 -10.564 -16.016 1.00 24.11 H new ATOM 0 HG SER A 15 13.742 -8.802 -16.494 1.00 62.04 H new ATOM 240 N GLN A 16 15.055 -13.339 -14.946 1.00 3.25 N ATOM 241 CA GLN A 16 16.041 -14.392 -15.112 1.00 0.11 C ATOM 242 C GLN A 16 17.355 -14.002 -14.433 1.00 64.21 C ATOM 243 O GLN A 16 18.434 -14.286 -14.951 1.00 52.24 O ATOM 244 CB GLN A 16 16.262 -14.709 -16.592 1.00 55.01 C ATOM 245 CG GLN A 16 14.951 -14.609 -17.375 1.00 51.45 C ATOM 246 CD GLN A 16 15.010 -15.448 -18.653 1.00 65.25 C ATOM 247 OE1 GLN A 16 15.450 -16.586 -18.659 1.00 12.42 O ATOM 248 NE2 GLN A 16 14.543 -14.825 -19.731 1.00 43.12 N ATOM 0 H GLN A 16 14.105 -13.667 -14.770 1.00 3.25 H new ATOM 0 HA GLN A 16 15.662 -15.295 -14.634 1.00 0.11 H new ATOM 0 HB2 GLN A 16 16.994 -14.018 -17.011 1.00 55.01 H new ATOM 0 HB3 GLN A 16 16.676 -15.712 -16.695 1.00 55.01 H new ATOM 0 HG2 GLN A 16 14.124 -14.948 -16.751 1.00 51.45 H new ATOM 0 HG3 GLN A 16 14.753 -13.567 -17.628 1.00 51.45 H new ATOM 0 HE21 GLN A 16 14.189 -13.871 -19.656 1.00 43.12 H new ATOM 0 HE22 GLN A 16 14.539 -15.301 -20.633 1.00 43.12 H new ATOM 257 N CYS A 17 17.222 -13.355 -13.284 1.00 41.41 N ATOM 258 CA CYS A 17 18.385 -12.922 -12.530 1.00 75.41 C ATOM 259 C CYS A 17 18.139 -13.226 -11.051 1.00 51.53 C ATOM 260 O CYS A 17 18.763 -14.122 -10.484 1.00 52.44 O ATOM 261 CB CYS A 17 18.694 -11.442 -12.765 1.00 31.53 C ATOM 262 SG CYS A 17 19.797 -11.104 -14.186 1.00 22.31 S ATOM 0 H CYS A 17 16.326 -13.120 -12.857 1.00 41.41 H new ATOM 0 HA CYS A 17 19.265 -13.467 -12.871 1.00 75.41 H new ATOM 0 HB2 CYS A 17 17.755 -10.909 -12.917 1.00 31.53 H new ATOM 0 HB3 CYS A 17 19.150 -11.033 -11.864 1.00 31.53 H new ATOM 0 HG CYS A 17 19.988 -9.822 -14.292 1.00 22.31 H new ATOM 267 N HIS A 18 17.228 -12.461 -10.467 1.00 64.33 N ATOM 268 CA HIS A 18 16.891 -12.637 -9.064 1.00 50.04 C ATOM 269 C HIS A 18 15.722 -13.616 -8.935 1.00 45.23 C ATOM 270 O HIS A 18 14.981 -13.831 -9.893 1.00 13.43 O ATOM 271 CB HIS A 18 16.610 -11.288 -8.400 1.00 30.21 C ATOM 272 CG HIS A 18 17.847 -10.458 -8.149 1.00 12.01 C ATOM 273 ND1 HIS A 18 18.807 -10.805 -7.215 1.00 53.33 N ATOM 274 CD2 HIS A 18 18.269 -9.293 -8.721 1.00 63.45 C ATOM 275 CE1 HIS A 18 19.759 -9.885 -7.231 1.00 1.34 C ATOM 276 NE2 HIS A 18 19.424 -8.948 -8.166 1.00 4.41 N ATOM 0 H HIS A 18 16.713 -11.718 -10.940 1.00 64.33 H new ATOM 0 HA HIS A 18 17.740 -13.068 -8.534 1.00 50.04 H new ATOM 0 HB2 HIS A 18 15.925 -10.720 -9.030 1.00 30.21 H new ATOM 0 HB3 HIS A 18 16.102 -11.460 -7.451 1.00 30.21 H new ATOM 0 HD2 HIS A 18 17.751 -8.745 -9.494 1.00 63.45 H new ATOM 0 HE1 HIS A 18 20.645 -9.877 -6.613 1.00 1.34 H new ATOM 0 HE2 HIS A 18 19.971 -8.119 -8.399 1.00 4.41 H new ATOM 284 N THR A 19 15.594 -14.182 -7.745 1.00 3.13 N ATOM 285 CA THR A 19 14.529 -15.133 -7.479 1.00 10.30 C ATOM 286 C THR A 19 13.537 -14.553 -6.467 1.00 53.54 C ATOM 287 O THR A 19 12.358 -14.903 -6.478 1.00 63.55 O ATOM 288 CB THR A 19 15.168 -16.444 -7.020 1.00 22.40 C ATOM 289 OG1 THR A 19 16.199 -16.033 -6.125 1.00 12.31 O ATOM 290 CG2 THR A 19 15.916 -17.158 -8.148 1.00 53.02 C ATOM 0 H THR A 19 16.211 -14.000 -6.953 1.00 3.13 H new ATOM 0 HA THR A 19 13.947 -15.337 -8.378 1.00 10.30 H new ATOM 0 HB THR A 19 14.397 -17.104 -6.622 1.00 22.40 H new ATOM 0 HG1 THR A 19 16.973 -16.626 -6.223 1.00 12.31 H new ATOM 0 HG21 THR A 19 16.350 -18.083 -7.768 1.00 53.02 H new ATOM 0 HG22 THR A 19 15.222 -17.388 -8.956 1.00 53.02 H new ATOM 0 HG23 THR A 19 16.709 -16.512 -8.524 1.00 53.02 H new ATOM 298 N VAL A 20 14.053 -13.676 -5.617 1.00 23.12 N ATOM 299 CA VAL A 20 13.227 -13.046 -4.601 1.00 24.13 C ATOM 300 C VAL A 20 12.367 -14.109 -3.916 1.00 41.42 C ATOM 301 O VAL A 20 11.294 -13.805 -3.398 1.00 25.44 O ATOM 302 CB VAL A 20 12.401 -11.919 -5.224 1.00 32.22 C ATOM 303 CG1 VAL A 20 13.304 -10.796 -5.738 1.00 62.12 C ATOM 304 CG2 VAL A 20 11.501 -12.451 -6.340 1.00 12.44 C ATOM 0 H VAL A 20 15.031 -13.388 -5.611 1.00 23.12 H new ATOM 0 HA VAL A 20 13.850 -12.589 -3.832 1.00 24.13 H new ATOM 0 HB VAL A 20 11.761 -11.505 -4.445 1.00 32.22 H new ATOM 0 HG11 VAL A 20 12.691 -10.008 -6.176 1.00 62.12 H new ATOM 0 HG12 VAL A 20 13.884 -10.387 -4.910 1.00 62.12 H new ATOM 0 HG13 VAL A 20 13.982 -11.191 -6.495 1.00 62.12 H new ATOM 0 HG21 VAL A 20 10.925 -11.629 -6.766 1.00 12.44 H new ATOM 0 HG22 VAL A 20 12.115 -12.905 -7.118 1.00 12.44 H new ATOM 0 HG23 VAL A 20 10.820 -13.199 -5.933 1.00 12.44 H new ATOM 314 N GLU A 21 12.872 -15.334 -3.934 1.00 11.10 N ATOM 315 CA GLU A 21 12.163 -16.444 -3.321 1.00 25.04 C ATOM 316 C GLU A 21 12.903 -16.919 -2.068 1.00 12.30 C ATOM 317 O GLU A 21 14.125 -17.053 -2.079 1.00 52.20 O ATOM 318 CB GLU A 21 11.975 -17.591 -4.316 1.00 44.12 C ATOM 319 CG GLU A 21 10.721 -17.381 -5.166 1.00 55.24 C ATOM 320 CD GLU A 21 10.092 -18.719 -5.558 1.00 31.53 C ATOM 321 OE1 GLU A 21 10.077 -19.657 -4.748 1.00 42.20 O ATOM 322 OE2 GLU A 21 9.609 -18.764 -6.753 1.00 50.23 O1- ATOM 0 H GLU A 21 13.763 -15.582 -4.363 1.00 11.10 H new ATOM 0 HA GLU A 21 11.172 -16.099 -3.025 1.00 25.04 H new ATOM 0 HB2 GLU A 21 12.849 -17.662 -4.963 1.00 44.12 H new ATOM 0 HB3 GLU A 21 11.899 -18.535 -3.777 1.00 44.12 H new ATOM 0 HG2 GLU A 21 9.997 -16.784 -4.611 1.00 55.24 H new ATOM 0 HG3 GLU A 21 10.976 -16.819 -6.064 1.00 55.24 H new ATOM 365 N LYS A 25 16.723 -20.096 -5.680 1.00 43.10 N ATOM 366 CA LYS A 25 18.111 -20.498 -5.827 1.00 25.50 C ATOM 367 C LYS A 25 18.900 -19.364 -6.483 1.00 31.53 C ATOM 368 O LYS A 25 18.318 -18.476 -7.104 1.00 63.34 O ATOM 369 CB LYS A 25 18.207 -21.829 -6.577 1.00 45.42 C ATOM 370 CG LYS A 25 18.206 -21.606 -8.091 1.00 33.12 C ATOM 371 CD LYS A 25 18.169 -22.938 -8.841 1.00 51.15 C ATOM 372 CE LYS A 25 16.781 -23.574 -8.760 1.00 20.45 C ATOM 373 NZ LYS A 25 16.657 -24.391 -7.532 1.00 61.34 N1+ ATOM 0 HA LYS A 25 18.561 -20.676 -4.850 1.00 25.50 H new ATOM 0 HB2 LYS A 25 19.118 -22.351 -6.283 1.00 45.42 H new ATOM 0 HB3 LYS A 25 17.369 -22.468 -6.299 1.00 45.42 H new ATOM 0 HG2 LYS A 25 17.344 -21.002 -8.373 1.00 33.12 H new ATOM 0 HG3 LYS A 25 19.095 -21.046 -8.380 1.00 33.12 H new ATOM 0 HD2 LYS A 25 18.440 -22.779 -9.885 1.00 51.15 H new ATOM 0 HD3 LYS A 25 18.910 -23.618 -8.419 1.00 51.15 H new ATOM 0 HE2 LYS A 25 16.017 -22.796 -8.765 1.00 20.45 H new ATOM 0 HE3 LYS A 25 16.608 -24.197 -9.638 1.00 20.45 H new ATOM 0 HZ1 LYS A 25 16.388 -25.363 -7.787 1.00 61.34 H new ATOM 0 HZ2 LYS A 25 17.568 -24.404 -7.030 1.00 61.34 H new ATOM 0 HZ3 LYS A 25 15.928 -23.981 -6.914 1.00 61.34 H new ATOM 386 N HIS A 26 20.215 -19.430 -6.324 1.00 35.31 N ATOM 387 CA HIS A 26 21.089 -18.420 -6.894 1.00 31.21 C ATOM 388 C HIS A 26 21.238 -18.658 -8.398 1.00 31.35 C ATOM 389 O HIS A 26 21.703 -19.716 -8.820 1.00 63.11 O ATOM 390 CB HIS A 26 22.433 -18.390 -6.163 1.00 60.42 C ATOM 391 CG HIS A 26 22.327 -18.616 -4.673 1.00 74.52 C ATOM 392 ND1 HIS A 26 22.379 -17.585 -3.753 1.00 53.11 N ATOM 393 CD2 HIS A 26 22.169 -19.765 -3.956 1.00 43.12 C ATOM 394 CE1 HIS A 26 22.259 -18.101 -2.539 1.00 4.22 C ATOM 395 NE2 HIS A 26 22.129 -19.452 -2.666 1.00 45.54 N ATOM 0 H HIS A 26 20.695 -20.168 -5.808 1.00 35.31 H new ATOM 0 HA HIS A 26 20.645 -17.433 -6.760 1.00 31.21 H new ATOM 0 HB2 HIS A 26 23.085 -19.152 -6.590 1.00 60.42 H new ATOM 0 HB3 HIS A 26 22.910 -17.426 -6.341 1.00 60.42 H new ATOM 0 HD2 HIS A 26 22.090 -20.760 -4.367 1.00 43.12 H new ATOM 0 HE1 HIS A 26 22.263 -17.548 -1.611 1.00 4.22 H new ATOM 0 HE2 HIS A 26 22.019 -20.113 -1.897 1.00 45.54 H new ATOM 403 N LYS A 27 20.832 -17.658 -9.167 1.00 43.43 N ATOM 404 CA LYS A 27 20.914 -17.745 -10.614 1.00 42.03 C ATOM 405 C LYS A 27 22.033 -16.828 -11.114 1.00 2.45 C ATOM 406 O LYS A 27 23.199 -17.217 -11.129 1.00 22.32 O ATOM 407 CB LYS A 27 19.552 -17.454 -11.247 1.00 4.12 C ATOM 408 CG LYS A 27 18.719 -18.732 -11.366 1.00 44.14 C ATOM 409 CD LYS A 27 17.842 -18.699 -12.620 1.00 74.23 C ATOM 410 CE LYS A 27 16.833 -17.552 -12.552 1.00 2.05 C ATOM 411 NZ LYS A 27 16.457 -17.274 -11.149 1.00 22.44 N1+ ATOM 0 H LYS A 27 20.445 -16.783 -8.814 1.00 43.43 H new ATOM 0 HA LYS A 27 21.172 -18.759 -10.920 1.00 42.03 H new ATOM 0 HB2 LYS A 27 19.016 -16.721 -10.644 1.00 4.12 H new ATOM 0 HB3 LYS A 27 19.692 -17.014 -12.234 1.00 4.12 H new ATOM 0 HG2 LYS A 27 19.379 -19.599 -11.402 1.00 44.14 H new ATOM 0 HG3 LYS A 27 18.092 -18.845 -10.482 1.00 44.14 H new ATOM 0 HD2 LYS A 27 18.469 -18.585 -13.504 1.00 74.23 H new ATOM 0 HD3 LYS A 27 17.314 -19.647 -12.724 1.00 74.23 H new ATOM 0 HE2 LYS A 27 17.260 -16.657 -13.004 1.00 2.05 H new ATOM 0 HE3 LYS A 27 15.944 -17.807 -13.129 1.00 2.05 H new ATOM 0 HZ1 LYS A 27 15.531 -16.801 -11.125 1.00 22.44 H new ATOM 0 HZ2 LYS A 27 16.403 -18.168 -10.620 1.00 22.44 H new ATOM 0 HZ3 LYS A 27 17.172 -16.657 -10.714 1.00 22.44 H new ATOM 424 N THR A 28 21.637 -15.627 -11.511 1.00 45.00 N ATOM 425 CA THR A 28 22.591 -14.651 -12.009 1.00 61.12 C ATOM 426 C THR A 28 23.292 -13.948 -10.845 1.00 45.43 C ATOM 427 O THR A 28 24.451 -13.552 -10.962 1.00 2.21 O ATOM 428 CB THR A 28 21.844 -13.692 -12.938 1.00 35.30 C ATOM 429 OG1 THR A 28 21.256 -14.544 -13.917 1.00 61.25 O ATOM 430 CG2 THR A 28 22.792 -12.800 -13.742 1.00 51.31 C ATOM 0 H THR A 28 20.668 -15.308 -11.498 1.00 45.00 H new ATOM 0 HA THR A 28 23.384 -15.130 -12.583 1.00 61.12 H new ATOM 0 HB THR A 28 21.169 -13.069 -12.351 1.00 35.30 H new ATOM 0 HG1 THR A 28 20.566 -14.051 -14.408 1.00 61.25 H new ATOM 0 HG21 THR A 28 22.211 -12.139 -14.385 1.00 51.31 H new ATOM 0 HG22 THR A 28 23.397 -12.203 -13.059 1.00 51.31 H new ATOM 0 HG23 THR A 28 23.444 -13.422 -14.355 1.00 51.31 H new ATOM 438 N GLY A 29 22.560 -13.814 -9.749 1.00 10.45 N ATOM 439 CA GLY A 29 23.096 -13.165 -8.565 1.00 52.43 C ATOM 440 C GLY A 29 22.660 -13.896 -7.293 1.00 73.33 C ATOM 441 O GLY A 29 22.273 -15.062 -7.346 1.00 12.41 O ATOM 0 H GLY A 29 21.599 -14.144 -9.656 1.00 10.45 H new ATOM 0 HA2 GLY A 29 24.184 -13.142 -8.620 1.00 52.43 H new ATOM 0 HA3 GLY A 29 22.756 -12.130 -8.528 1.00 52.43 H new ATOM 445 N PRO A 30 22.738 -13.161 -6.152 1.00 64.11 N ATOM 446 CA PRO A 30 22.355 -13.725 -4.870 1.00 53.23 C ATOM 447 C PRO A 30 20.833 -13.821 -4.745 1.00 41.02 C ATOM 448 O PRO A 30 20.107 -13.017 -5.329 1.00 1.24 O ATOM 449 CB PRO A 30 22.980 -12.807 -3.832 1.00 21.01 C ATOM 450 CG PRO A 30 23.294 -11.509 -4.560 1.00 61.15 C ATOM 451 CD PRO A 30 23.191 -11.776 -6.053 1.00 30.43 C ATOM 0 HA PRO A 30 22.707 -14.748 -4.740 1.00 53.23 H new ATOM 0 HB2 PRO A 30 22.296 -12.633 -3.001 1.00 21.01 H new ATOM 0 HB3 PRO A 30 23.884 -13.249 -3.413 1.00 21.01 H new ATOM 0 HG2 PRO A 30 22.596 -10.726 -4.263 1.00 61.15 H new ATOM 0 HG3 PRO A 30 24.294 -11.159 -4.303 1.00 61.15 H new ATOM 0 HD2 PRO A 30 22.487 -11.094 -6.529 1.00 30.43 H new ATOM 0 HD3 PRO A 30 24.153 -11.638 -6.547 1.00 30.43 H new ATOM 459 N ASN A 31 20.395 -14.810 -3.980 1.00 42.21 N ATOM 460 CA ASN A 31 18.972 -15.020 -3.771 1.00 54.23 C ATOM 461 C ASN A 31 18.426 -13.920 -2.860 1.00 24.12 C ATOM 462 O ASN A 31 19.003 -13.632 -1.813 1.00 22.02 O ATOM 463 CB ASN A 31 18.708 -16.367 -3.094 1.00 1.42 C ATOM 464 CG ASN A 31 17.256 -16.469 -2.624 1.00 33.11 C ATOM 465 OD1 ASN A 31 16.841 -15.843 -1.663 1.00 34.33 O ATOM 466 ND2 ASN A 31 16.508 -17.292 -3.354 1.00 24.23 N ATOM 0 H ASN A 31 21.000 -15.475 -3.497 1.00 42.21 H new ATOM 0 HA ASN A 31 18.483 -15.002 -4.745 1.00 54.23 H new ATOM 0 HB2 ASN A 31 18.926 -17.177 -3.790 1.00 1.42 H new ATOM 0 HB3 ASN A 31 19.379 -16.488 -2.243 1.00 1.42 H new ATOM 0 HD21 ASN A 31 15.524 -17.429 -3.121 1.00 24.23 H new ATOM 0 HD22 ASN A 31 16.918 -17.786 -4.147 1.00 24.23 H new ATOM 473 N LEU A 32 17.320 -13.332 -3.292 1.00 74.54 N ATOM 474 CA LEU A 32 16.690 -12.268 -2.530 1.00 5.51 C ATOM 475 C LEU A 32 15.723 -12.880 -1.513 1.00 71.53 C ATOM 476 O LEU A 32 14.517 -12.929 -1.751 1.00 22.25 O ATOM 477 CB LEU A 32 16.036 -11.251 -3.467 1.00 14.14 C ATOM 478 CG LEU A 32 16.924 -10.092 -3.923 1.00 30.32 C ATOM 479 CD1 LEU A 32 16.990 -8.999 -2.855 1.00 72.11 C ATOM 480 CD2 LEU A 32 18.314 -10.590 -4.322 1.00 23.23 C ATOM 0 H LEU A 32 16.844 -13.573 -4.161 1.00 74.54 H new ATOM 0 HA LEU A 32 17.437 -11.710 -1.965 1.00 5.51 H new ATOM 0 HB2 LEU A 32 15.679 -11.779 -4.351 1.00 14.14 H new ATOM 0 HB3 LEU A 32 15.160 -10.837 -2.967 1.00 14.14 H new ATOM 0 HG LEU A 32 16.476 -9.647 -4.811 1.00 30.32 H new ATOM 0 HD11 LEU A 32 17.628 -8.187 -3.204 1.00 72.11 H new ATOM 0 HD12 LEU A 32 15.987 -8.616 -2.663 1.00 72.11 H new ATOM 0 HD13 LEU A 32 17.402 -9.414 -1.935 1.00 72.11 H new ATOM 0 HD21 LEU A 32 18.925 -9.746 -4.642 1.00 23.23 H new ATOM 0 HD22 LEU A 32 18.785 -11.076 -3.468 1.00 23.23 H new ATOM 0 HD23 LEU A 32 18.224 -11.304 -5.141 1.00 23.23 H new ATOM 492 N HIS A 33 16.287 -13.330 -0.403 1.00 14.50 N ATOM 493 CA HIS A 33 15.490 -13.935 0.650 1.00 13.44 C ATOM 494 C HIS A 33 15.642 -13.125 1.939 1.00 62.54 C ATOM 495 O HIS A 33 14.652 -12.666 2.508 1.00 23.12 O ATOM 496 CB HIS A 33 15.859 -15.409 0.830 1.00 5.43 C ATOM 497 CG HIS A 33 15.411 -15.997 2.146 1.00 22.13 C ATOM 498 ND1 HIS A 33 16.237 -16.780 2.937 1.00 13.25 N ATOM 499 CD2 HIS A 33 14.220 -15.909 2.804 1.00 23.11 C ATOM 500 CE1 HIS A 33 15.561 -17.140 4.018 1.00 64.43 C ATOM 501 NE2 HIS A 33 14.311 -16.600 3.933 1.00 50.42 N ATOM 0 H HIS A 33 17.288 -13.288 -0.209 1.00 14.50 H new ATOM 0 HA HIS A 33 14.436 -13.914 0.371 1.00 13.44 H new ATOM 0 HB2 HIS A 33 15.418 -15.985 0.017 1.00 5.43 H new ATOM 0 HB3 HIS A 33 16.941 -15.515 0.746 1.00 5.43 H new ATOM 0 HD2 HIS A 33 13.349 -15.368 2.464 1.00 23.11 H new ATOM 0 HE1 HIS A 33 15.934 -17.753 4.825 1.00 64.43 H new ATOM 0 HE2 HIS A 33 13.569 -16.709 4.624 1.00 50.42 H new ATOM 509 N GLY A 34 16.888 -12.973 2.362 1.00 75.21 N ATOM 510 CA GLY A 34 17.182 -12.227 3.573 1.00 51.24 C ATOM 511 C GLY A 34 17.698 -10.825 3.241 1.00 41.32 C ATOM 512 O GLY A 34 18.804 -10.457 3.635 1.00 23.54 O ATOM 0 H GLY A 34 17.706 -13.354 1.887 1.00 75.21 H new ATOM 0 HA2 GLY A 34 16.284 -12.152 4.186 1.00 51.24 H new ATOM 0 HA3 GLY A 34 17.926 -12.762 4.163 1.00 51.24 H new ATOM 516 N LEU A 35 16.872 -10.080 2.521 1.00 32.14 N ATOM 517 CA LEU A 35 17.231 -8.727 2.131 1.00 14.33 C ATOM 518 C LEU A 35 17.093 -7.800 3.341 1.00 14.32 C ATOM 519 O LEU A 35 18.092 -7.388 3.927 1.00 23.33 O ATOM 520 CB LEU A 35 16.410 -8.283 0.919 1.00 1.34 C ATOM 521 CG LEU A 35 16.560 -6.817 0.509 1.00 70.13 C ATOM 522 CD1 LEU A 35 17.873 -6.591 -0.245 1.00 23.22 C ATOM 523 CD2 LEU A 35 15.348 -6.346 -0.298 1.00 20.03 C ATOM 0 H LEU A 35 15.955 -10.388 2.197 1.00 32.14 H new ATOM 0 HA LEU A 35 18.273 -8.685 1.813 1.00 14.33 H new ATOM 0 HB2 LEU A 35 16.686 -8.907 0.069 1.00 1.34 H new ATOM 0 HB3 LEU A 35 15.358 -8.476 1.127 1.00 1.34 H new ATOM 0 HG LEU A 35 16.599 -6.211 1.414 1.00 70.13 H new ATOM 0 HD11 LEU A 35 17.955 -5.541 -0.525 1.00 23.22 H new ATOM 0 HD12 LEU A 35 18.712 -6.862 0.396 1.00 23.22 H new ATOM 0 HD13 LEU A 35 17.888 -7.209 -1.143 1.00 23.22 H new ATOM 0 HD21 LEU A 35 15.480 -5.301 -0.577 1.00 20.03 H new ATOM 0 HD22 LEU A 35 15.253 -6.952 -1.199 1.00 20.03 H new ATOM 0 HD23 LEU A 35 14.446 -6.449 0.306 1.00 20.03 H new ATOM 535 N PHE A 36 15.848 -7.500 3.678 1.00 5.35 N ATOM 536 CA PHE A 36 15.567 -6.630 4.807 1.00 22.24 C ATOM 537 C PHE A 36 15.952 -7.301 6.126 1.00 61.41 C ATOM 538 O PHE A 36 15.437 -8.368 6.457 1.00 2.04 O ATOM 539 CB PHE A 36 14.059 -6.366 4.804 1.00 52.13 C ATOM 540 CG PHE A 36 13.630 -5.218 3.888 1.00 23.51 C ATOM 541 CD1 PHE A 36 13.505 -5.426 2.550 1.00 33.42 C ATOM 542 CD2 PHE A 36 13.376 -3.989 4.412 1.00 23.43 C ATOM 543 CE1 PHE A 36 13.106 -4.360 1.700 1.00 1.43 C ATOM 544 CE2 PHE A 36 12.977 -2.923 3.562 1.00 12.33 C ATOM 545 CZ PHE A 36 12.852 -3.131 2.224 1.00 2.54 C ATOM 0 H PHE A 36 15.022 -7.844 3.189 1.00 5.35 H new ATOM 0 HA PHE A 36 16.142 -5.708 4.718 1.00 22.24 H new ATOM 0 HB2 PHE A 36 13.542 -7.275 4.497 1.00 52.13 H new ATOM 0 HB3 PHE A 36 13.737 -6.145 5.822 1.00 52.13 H new ATOM 0 HD1 PHE A 36 13.709 -6.401 2.134 1.00 33.42 H new ATOM 0 HD2 PHE A 36 13.478 -3.823 5.474 1.00 23.43 H new ATOM 0 HE1 PHE A 36 13.004 -4.526 0.638 1.00 1.43 H new ATOM 0 HE2 PHE A 36 12.773 -1.948 3.978 1.00 12.33 H new ATOM 0 HZ PHE A 36 12.551 -2.320 1.577 1.00 2.54 H new ATOM 555 N GLY A 37 16.855 -6.649 6.844 1.00 15.13 N ATOM 556 CA GLY A 37 17.315 -7.169 8.120 1.00 44.23 C ATOM 557 C GLY A 37 18.597 -7.987 7.948 1.00 13.23 C ATOM 558 O GLY A 37 18.845 -8.925 8.703 1.00 33.14 O ATOM 0 H GLY A 37 17.280 -5.765 6.566 1.00 15.13 H new ATOM 0 HA2 GLY A 37 17.495 -6.344 8.809 1.00 44.23 H new ATOM 0 HA3 GLY A 37 16.539 -7.792 8.564 1.00 44.23 H new ATOM 562 N ARG A 38 19.377 -7.601 6.950 1.00 71.12 N ATOM 563 CA ARG A 38 20.628 -8.287 6.669 1.00 72.15 C ATOM 564 C ARG A 38 21.652 -7.309 6.090 1.00 53.24 C ATOM 565 O ARG A 38 21.283 -6.262 5.558 1.00 74.14 O ATOM 566 CB ARG A 38 20.415 -9.436 5.681 1.00 13.11 C ATOM 567 CG ARG A 38 21.457 -10.538 5.891 1.00 61.12 C ATOM 568 CD ARG A 38 21.002 -11.850 5.250 1.00 23.15 C ATOM 569 NE ARG A 38 21.190 -11.789 3.783 1.00 44.20 N ATOM 570 CZ ARG A 38 20.818 -12.768 2.931 1.00 15.22 C ATOM 571 NH1 ARG A 38 20.234 -13.894 3.394 1.00 2.45 N ATOM 572 NH2 ARG A 38 21.033 -12.608 1.639 1.00 43.34 N1+ ATOM 0 H ARG A 38 19.168 -6.822 6.325 1.00 71.12 H new ATOM 0 HA ARG A 38 21.001 -8.694 7.609 1.00 72.15 H new ATOM 0 HB2 ARG A 38 19.414 -9.848 5.807 1.00 13.11 H new ATOM 0 HB3 ARG A 38 20.479 -9.060 4.660 1.00 13.11 H new ATOM 0 HG2 ARG A 38 22.410 -10.230 5.460 1.00 61.12 H new ATOM 0 HG3 ARG A 38 21.623 -10.688 6.958 1.00 61.12 H new ATOM 0 HD2 ARG A 38 21.571 -12.683 5.663 1.00 23.15 H new ATOM 0 HD3 ARG A 38 19.953 -12.034 5.483 1.00 23.15 H new ATOM 0 HE ARG A 38 21.628 -10.955 3.391 1.00 44.20 H new ATOM 0 HH11 ARG A 38 20.071 -14.010 4.394 1.00 2.45 H new ATOM 0 HH12 ARG A 38 19.956 -14.629 2.744 1.00 2.45 H new ATOM 0 HH21 ARG A 38 21.474 -11.754 1.297 1.00 43.34 H new ATOM 0 HH22 ARG A 38 20.758 -13.338 0.982 1.00 43.34 H new ATOM 585 N LYS A 39 22.916 -7.683 6.214 1.00 1.25 N ATOM 586 CA LYS A 39 23.996 -6.852 5.709 1.00 23.04 C ATOM 587 C LYS A 39 24.300 -7.241 4.261 1.00 30.04 C ATOM 588 O LYS A 39 23.656 -8.130 3.705 1.00 3.20 O ATOM 589 CB LYS A 39 25.211 -6.932 6.636 1.00 65.41 C ATOM 590 CG LYS A 39 25.064 -5.972 7.817 1.00 52.45 C ATOM 591 CD LYS A 39 25.822 -6.488 9.042 1.00 54.13 C ATOM 592 CE LYS A 39 24.966 -7.471 9.842 1.00 12.24 C ATOM 593 NZ LYS A 39 25.824 -8.375 10.640 1.00 2.13 N1+ ATOM 0 H LYS A 39 23.217 -8.551 6.657 1.00 1.25 H new ATOM 0 HA LYS A 39 23.698 -5.804 5.701 1.00 23.04 H new ATOM 0 HB2 LYS A 39 25.326 -7.952 7.004 1.00 65.41 H new ATOM 0 HB3 LYS A 39 26.115 -6.691 6.077 1.00 65.41 H new ATOM 0 HG2 LYS A 39 25.442 -4.988 7.539 1.00 52.45 H new ATOM 0 HG3 LYS A 39 24.009 -5.851 8.062 1.00 52.45 H new ATOM 0 HD2 LYS A 39 26.743 -6.977 8.725 1.00 54.13 H new ATOM 0 HD3 LYS A 39 26.108 -5.649 9.677 1.00 54.13 H new ATOM 0 HE2 LYS A 39 24.293 -6.923 10.501 1.00 12.24 H new ATOM 0 HE3 LYS A 39 24.343 -8.055 9.164 1.00 12.24 H new ATOM 0 HZ1 LYS A 39 25.227 -9.036 11.177 1.00 2.13 H new ATOM 0 HZ2 LYS A 39 26.449 -8.911 10.005 1.00 2.13 H new ATOM 0 HZ3 LYS A 39 26.400 -7.814 11.300 1.00 2.13 H new ATOM 606 N THR A 40 25.280 -6.556 3.691 1.00 35.13 N ATOM 607 CA THR A 40 25.678 -6.819 2.319 1.00 75.44 C ATOM 608 C THR A 40 26.722 -7.937 2.270 1.00 43.11 C ATOM 609 O THR A 40 27.684 -7.925 3.036 1.00 72.31 O ATOM 610 CB THR A 40 26.166 -5.505 1.708 1.00 74.21 C ATOM 611 OG1 THR A 40 26.881 -4.875 2.766 1.00 42.25 O ATOM 612 CG2 THR A 40 25.019 -4.538 1.406 1.00 52.34 C ATOM 0 H THR A 40 25.811 -5.819 4.155 1.00 35.13 H new ATOM 0 HA THR A 40 24.837 -7.177 1.726 1.00 75.44 H new ATOM 0 HB THR A 40 26.716 -5.714 0.790 1.00 74.21 H new ATOM 0 HG1 THR A 40 27.815 -5.172 2.752 1.00 42.25 H new ATOM 0 HG21 THR A 40 25.420 -3.621 0.974 1.00 52.34 H new ATOM 0 HG22 THR A 40 24.329 -5.001 0.700 1.00 52.34 H new ATOM 0 HG23 THR A 40 24.489 -4.302 2.329 1.00 52.34 H new ATOM 620 N GLY A 41 26.496 -8.875 1.362 1.00 61.55 N ATOM 621 CA GLY A 41 27.405 -9.997 1.203 1.00 62.50 C ATOM 622 C GLY A 41 27.303 -10.957 2.390 1.00 21.13 C ATOM 623 O GLY A 41 28.307 -11.273 3.027 1.00 23.11 O ATOM 0 H GLY A 41 25.696 -8.881 0.729 1.00 61.55 H new ATOM 0 HA2 GLY A 41 27.174 -10.529 0.280 1.00 62.50 H new ATOM 0 HA3 GLY A 41 28.428 -9.631 1.113 1.00 62.50 H new ATOM 627 N GLN A 42 26.080 -11.396 2.653 1.00 20.11 N ATOM 628 CA GLN A 42 25.834 -12.314 3.751 1.00 50.44 C ATOM 629 C GLN A 42 25.511 -13.710 3.214 1.00 23.41 C ATOM 630 O GLN A 42 25.690 -14.704 3.914 1.00 22.22 O ATOM 631 CB GLN A 42 24.710 -11.800 4.653 1.00 22.15 C ATOM 632 CG GLN A 42 25.077 -10.449 5.272 1.00 43.33 C ATOM 633 CD GLN A 42 26.482 -10.488 5.875 1.00 74.22 C ATOM 634 OE1 GLN A 42 26.729 -11.102 6.899 1.00 53.24 O ATOM 635 NE2 GLN A 42 27.386 -9.797 5.186 1.00 55.35 N ATOM 0 H GLN A 42 25.249 -11.132 2.124 1.00 20.11 H new ATOM 0 HA GLN A 42 26.739 -12.379 4.355 1.00 50.44 H new ATOM 0 HB2 GLN A 42 23.791 -11.701 4.075 1.00 22.15 H new ATOM 0 HB3 GLN A 42 24.513 -12.525 5.443 1.00 22.15 H new ATOM 0 HG2 GLN A 42 25.025 -9.670 4.511 1.00 43.33 H new ATOM 0 HG3 GLN A 42 24.353 -10.190 6.044 1.00 43.33 H new ATOM 0 HE21 GLN A 42 27.112 -9.305 4.336 1.00 55.35 H new ATOM 0 HE22 GLN A 42 28.353 -9.759 5.508 1.00 55.35 H new ATOM 644 N ALA A 43 25.042 -13.738 1.975 1.00 70.23 N ATOM 645 CA ALA A 43 24.693 -14.997 1.337 1.00 30.12 C ATOM 646 C ALA A 43 25.727 -16.059 1.712 1.00 64.14 C ATOM 647 O ALA A 43 26.812 -16.105 1.135 1.00 13.20 O ATOM 648 CB ALA A 43 24.592 -14.790 -0.176 1.00 22.12 C ATOM 0 H ALA A 43 24.896 -12.911 1.396 1.00 70.23 H new ATOM 0 HA ALA A 43 23.721 -15.347 1.685 1.00 30.12 H new ATOM 0 HB1 ALA A 43 24.330 -15.733 -0.656 1.00 22.12 H new ATOM 0 HB2 ALA A 43 23.823 -14.048 -0.391 1.00 22.12 H new ATOM 0 HB3 ALA A 43 25.551 -14.441 -0.560 1.00 22.12 H new ATOM 654 N PRO A 44 25.346 -16.908 2.704 1.00 21.12 N ATOM 655 CA PRO A 44 26.229 -17.966 3.164 1.00 3.52 C ATOM 656 C PRO A 44 26.280 -19.114 2.153 1.00 70.11 C ATOM 657 O PRO A 44 25.968 -20.256 2.489 1.00 13.44 O ATOM 658 CB PRO A 44 25.669 -18.387 4.513 1.00 43.33 C ATOM 659 CG PRO A 44 24.237 -17.877 4.547 1.00 50.30 C ATOM 660 CD PRO A 44 24.069 -16.881 3.411 1.00 14.51 C ATOM 0 HA PRO A 44 27.264 -17.638 3.262 1.00 3.52 H new ATOM 0 HB2 PRO A 44 25.701 -19.470 4.628 1.00 43.33 H new ATOM 0 HB3 PRO A 44 26.254 -17.963 5.329 1.00 43.33 H new ATOM 0 HG2 PRO A 44 23.535 -18.703 4.437 1.00 50.30 H new ATOM 0 HG3 PRO A 44 24.023 -17.403 5.505 1.00 50.30 H new ATOM 0 HD2 PRO A 44 23.246 -17.164 2.754 1.00 14.51 H new ATOM 0 HD3 PRO A 44 23.846 -15.883 3.789 1.00 14.51 H new ATOM 668 N GLY A 45 26.677 -18.772 0.937 1.00 63.41 N ATOM 669 CA GLY A 45 26.774 -19.759 -0.125 1.00 62.30 C ATOM 670 C GLY A 45 27.346 -19.140 -1.401 1.00 51.31 C ATOM 671 O GLY A 45 28.122 -19.777 -2.111 1.00 1.41 O ATOM 0 H GLY A 45 26.936 -17.824 0.663 1.00 63.41 H new ATOM 0 HA2 GLY A 45 27.408 -20.585 0.198 1.00 62.30 H new ATOM 0 HA3 GLY A 45 25.788 -20.176 -0.330 1.00 62.30 H new ATOM 675 N TYR A 46 26.940 -17.904 -1.653 1.00 31.42 N ATOM 676 CA TYR A 46 27.403 -17.191 -2.831 1.00 33.33 C ATOM 677 C TYR A 46 28.157 -15.918 -2.441 1.00 21.45 C ATOM 678 O TYR A 46 27.618 -15.064 -1.739 1.00 53.01 O ATOM 679 CB TYR A 46 26.144 -16.804 -3.612 1.00 11.41 C ATOM 680 CG TYR A 46 26.412 -16.401 -5.063 1.00 3.21 C ATOM 681 CD1 TYR A 46 27.320 -17.112 -5.821 1.00 70.24 C ATOM 682 CD2 TYR A 46 25.744 -15.327 -5.614 1.00 42.12 C ATOM 683 CE1 TYR A 46 27.572 -16.732 -7.187 1.00 41.12 C ATOM 684 CE2 TYR A 46 25.995 -14.946 -6.981 1.00 4.30 C ATOM 685 CZ TYR A 46 26.896 -15.669 -7.700 1.00 64.21 C ATOM 686 OH TYR A 46 27.134 -15.311 -8.990 1.00 73.20 O ATOM 0 H TYR A 46 26.296 -17.379 -1.062 1.00 31.42 H new ATOM 0 HA TYR A 46 28.082 -17.813 -3.413 1.00 33.33 H new ATOM 0 HB2 TYR A 46 25.450 -17.644 -3.601 1.00 11.41 H new ATOM 0 HB3 TYR A 46 25.652 -15.977 -3.101 1.00 11.41 H new ATOM 0 HD1 TYR A 46 27.842 -17.954 -5.390 1.00 70.24 H new ATOM 0 HD2 TYR A 46 25.033 -14.772 -5.021 1.00 42.12 H new ATOM 0 HE1 TYR A 46 28.282 -17.279 -7.790 1.00 41.12 H new ATOM 0 HE2 TYR A 46 25.480 -14.106 -7.424 1.00 4.30 H new ATOM 0 HH TYR A 46 26.581 -14.536 -9.222 1.00 73.20 H new ATOM 696 N SER A 47 29.392 -15.831 -2.913 1.00 61.13 N ATOM 697 CA SER A 47 30.225 -14.677 -2.622 1.00 50.02 C ATOM 698 C SER A 47 30.246 -13.730 -3.825 1.00 61.25 C ATOM 699 O SER A 47 30.472 -14.161 -4.954 1.00 74.42 O ATOM 700 CB SER A 47 31.648 -15.103 -2.257 1.00 64.01 C ATOM 701 OG SER A 47 32.120 -16.157 -3.092 1.00 62.20 O ATOM 0 H SER A 47 29.836 -16.541 -3.495 1.00 61.13 H new ATOM 0 HA SER A 47 29.800 -14.156 -1.764 1.00 50.02 H new ATOM 0 HB2 SER A 47 32.316 -14.246 -2.342 1.00 64.01 H new ATOM 0 HB3 SER A 47 31.674 -15.426 -1.216 1.00 64.01 H new ATOM 0 HG SER A 47 33.032 -16.399 -2.829 1.00 62.20 H new ATOM 707 N TYR A 48 30.007 -12.458 -3.540 1.00 23.43 N ATOM 708 CA TYR A 48 29.997 -11.447 -4.582 1.00 51.03 C ATOM 709 C TYR A 48 31.381 -10.815 -4.749 1.00 50.11 C ATOM 710 O TYR A 48 32.339 -11.235 -4.104 1.00 44.52 O ATOM 711 CB TYR A 48 29.011 -10.374 -4.118 1.00 20.35 C ATOM 712 CG TYR A 48 27.791 -10.926 -3.379 1.00 25.13 C ATOM 713 CD1 TYR A 48 27.360 -12.214 -3.625 1.00 3.33 C ATOM 714 CD2 TYR A 48 27.122 -10.137 -2.465 1.00 40.21 C ATOM 715 CE1 TYR A 48 26.211 -12.734 -2.929 1.00 31.53 C ATOM 716 CE2 TYR A 48 25.975 -10.659 -1.768 1.00 74.50 C ATOM 717 CZ TYR A 48 25.575 -11.931 -2.035 1.00 31.14 C ATOM 718 OH TYR A 48 24.492 -12.423 -1.377 1.00 23.04 O ATOM 0 H TYR A 48 29.819 -12.105 -2.602 1.00 23.43 H new ATOM 0 HA TYR A 48 29.717 -11.886 -5.540 1.00 51.03 H new ATOM 0 HB2 TYR A 48 29.532 -9.674 -3.465 1.00 20.35 H new ATOM 0 HB3 TYR A 48 28.672 -9.808 -4.985 1.00 20.35 H new ATOM 0 HD1 TYR A 48 27.884 -12.832 -4.339 1.00 3.33 H new ATOM 0 HD2 TYR A 48 27.459 -9.129 -2.273 1.00 40.21 H new ATOM 0 HE1 TYR A 48 25.862 -13.739 -3.113 1.00 31.53 H new ATOM 0 HE2 TYR A 48 25.444 -10.053 -1.049 1.00 74.50 H new ATOM 0 HH TYR A 48 24.140 -11.739 -0.769 1.00 23.04 H new ATOM 728 N THR A 49 31.439 -9.816 -5.617 1.00 5.20 N ATOM 729 CA THR A 49 32.689 -9.122 -5.875 1.00 43.03 C ATOM 730 C THR A 49 33.239 -8.515 -4.583 1.00 11.41 C ATOM 731 O THR A 49 32.626 -8.639 -3.525 1.00 40.24 O ATOM 732 CB THR A 49 32.436 -8.086 -6.973 1.00 0.23 C ATOM 733 OG1 THR A 49 31.197 -7.487 -6.607 1.00 65.43 O ATOM 734 CG2 THR A 49 32.152 -8.731 -8.332 1.00 63.33 C ATOM 0 H THR A 49 30.641 -9.471 -6.150 1.00 5.20 H new ATOM 0 HA THR A 49 33.458 -9.810 -6.227 1.00 43.03 H new ATOM 0 HB THR A 49 33.301 -7.428 -7.057 1.00 0.23 H new ATOM 0 HG1 THR A 49 30.958 -6.801 -7.265 1.00 65.43 H new ATOM 0 HG21 THR A 49 31.980 -7.953 -9.075 1.00 63.33 H new ATOM 0 HG22 THR A 49 33.007 -9.337 -8.633 1.00 63.33 H new ATOM 0 HG23 THR A 49 31.267 -9.363 -8.257 1.00 63.33 H new ATOM 742 N ALA A 50 34.390 -7.872 -4.712 1.00 63.11 N ATOM 743 CA ALA A 50 35.030 -7.246 -3.568 1.00 4.40 C ATOM 744 C ALA A 50 34.532 -5.806 -3.434 1.00 24.52 C ATOM 745 O ALA A 50 35.106 -5.012 -2.691 1.00 65.45 O ATOM 746 CB ALA A 50 36.551 -7.324 -3.727 1.00 22.44 C ATOM 0 H ALA A 50 34.896 -7.771 -5.592 1.00 63.11 H new ATOM 0 HA ALA A 50 34.770 -7.771 -2.649 1.00 4.40 H new ATOM 0 HB1 ALA A 50 37.031 -6.854 -2.869 1.00 22.44 H new ATOM 0 HB2 ALA A 50 36.857 -8.368 -3.788 1.00 22.44 H new ATOM 0 HB3 ALA A 50 36.849 -6.805 -4.638 1.00 22.44 H new ATOM 752 N ALA A 51 33.468 -5.512 -4.168 1.00 22.13 N ATOM 753 CA ALA A 51 32.885 -4.181 -4.141 1.00 24.51 C ATOM 754 C ALA A 51 31.711 -4.162 -3.159 1.00 32.14 C ATOM 755 O ALA A 51 31.611 -3.267 -2.323 1.00 53.32 O ATOM 756 CB ALA A 51 32.467 -3.778 -5.556 1.00 73.13 C ATOM 0 H ALA A 51 32.995 -6.173 -4.785 1.00 22.13 H new ATOM 0 HA ALA A 51 33.616 -3.450 -3.796 1.00 24.51 H new ATOM 0 HB1 ALA A 51 32.030 -2.780 -5.536 1.00 73.13 H new ATOM 0 HB2 ALA A 51 33.341 -3.778 -6.208 1.00 73.13 H new ATOM 0 HB3 ALA A 51 31.732 -4.488 -5.935 1.00 73.13 H new ATOM 762 N ASN A 52 30.853 -5.162 -3.294 1.00 72.12 N ATOM 763 CA ASN A 52 29.690 -5.272 -2.429 1.00 72.03 C ATOM 764 C ASN A 52 30.087 -5.989 -1.137 1.00 44.33 C ATOM 765 O ASN A 52 29.749 -5.537 -0.045 1.00 21.23 O ATOM 766 CB ASN A 52 28.581 -6.086 -3.099 1.00 71.24 C ATOM 767 CG ASN A 52 27.242 -5.876 -2.388 1.00 1.21 C ATOM 768 OD1 ASN A 52 26.432 -5.046 -2.765 1.00 10.34 O ATOM 769 ND2 ASN A 52 27.056 -6.674 -1.340 1.00 51.41 N ATOM 0 H ASN A 52 30.939 -5.903 -3.989 1.00 72.12 H new ATOM 0 HA ASN A 52 29.326 -4.265 -2.224 1.00 72.03 H new ATOM 0 HB2 ASN A 52 28.491 -5.793 -4.145 1.00 71.24 H new ATOM 0 HB3 ASN A 52 28.842 -7.144 -3.085 1.00 71.24 H new ATOM 0 HD21 ASN A 52 26.194 -6.612 -0.798 1.00 51.41 H new ATOM 0 HD22 ASN A 52 27.776 -7.348 -1.078 1.00 51.41 H new ATOM 776 N LYS A 53 30.798 -7.094 -1.306 1.00 31.33 N ATOM 777 CA LYS A 53 31.245 -7.877 -0.166 1.00 23.25 C ATOM 778 C LYS A 53 31.843 -6.942 0.887 1.00 40.10 C ATOM 779 O LYS A 53 31.492 -7.022 2.064 1.00 44.44 O ATOM 780 CB LYS A 53 32.199 -8.985 -0.618 1.00 41.40 C ATOM 781 CG LYS A 53 32.241 -10.123 0.404 1.00 75.03 C ATOM 782 CD LYS A 53 33.595 -10.837 0.373 1.00 74.12 C ATOM 783 CE LYS A 53 33.515 -12.192 1.079 1.00 55.52 C ATOM 784 NZ LYS A 53 33.264 -12.009 2.526 1.00 13.54 N1+ ATOM 0 H LYS A 53 31.076 -7.466 -2.214 1.00 31.33 H new ATOM 0 HA LYS A 53 30.402 -8.385 0.301 1.00 23.25 H new ATOM 0 HB2 LYS A 53 31.880 -9.372 -1.586 1.00 41.40 H new ATOM 0 HB3 LYS A 53 33.200 -8.575 -0.753 1.00 41.40 H new ATOM 0 HG2 LYS A 53 32.057 -9.727 1.403 1.00 75.03 H new ATOM 0 HG3 LYS A 53 31.444 -10.836 0.193 1.00 75.03 H new ATOM 0 HD2 LYS A 53 33.912 -10.979 -0.660 1.00 74.12 H new ATOM 0 HD3 LYS A 53 34.349 -10.215 0.855 1.00 74.12 H new ATOM 0 HE2 LYS A 53 32.718 -12.791 0.639 1.00 55.52 H new ATOM 0 HE3 LYS A 53 34.445 -12.741 0.932 1.00 55.52 H new ATOM 0 HZ1 LYS A 53 33.246 -12.937 2.995 1.00 13.54 H new ATOM 0 HZ2 LYS A 53 34.020 -11.427 2.939 1.00 13.54 H new ATOM 0 HZ3 LYS A 53 32.349 -11.535 2.662 1.00 13.54 H new ATOM 797 N ASN A 54 32.736 -6.079 0.427 1.00 32.11 N ATOM 798 CA ASN A 54 33.386 -5.131 1.315 1.00 62.53 C ATOM 799 C ASN A 54 32.329 -4.227 1.952 1.00 21.52 C ATOM 800 O ASN A 54 32.491 -3.780 3.087 1.00 54.24 O ATOM 801 CB ASN A 54 34.367 -4.241 0.548 1.00 4.13 C ATOM 802 CG ASN A 54 35.452 -3.694 1.477 1.00 23.22 C ATOM 803 OD1 ASN A 54 35.188 -2.976 2.428 1.00 64.31 O ATOM 804 ND2 ASN A 54 36.685 -4.070 1.150 1.00 31.23 N ATOM 0 H ASN A 54 33.025 -6.016 -0.549 1.00 32.11 H new ATOM 0 HA ASN A 54 33.928 -5.697 2.073 1.00 62.53 H new ATOM 0 HB2 ASN A 54 34.827 -4.812 -0.258 1.00 4.13 H new ATOM 0 HB3 ASN A 54 33.828 -3.414 0.086 1.00 4.13 H new ATOM 0 HD21 ASN A 54 37.479 -3.756 1.708 1.00 31.23 H new ATOM 0 HD22 ASN A 54 36.837 -4.673 0.341 1.00 31.23 H new ATOM 811 N LYS A 55 31.268 -3.987 1.196 1.00 3.10 N ATOM 812 CA LYS A 55 30.184 -3.145 1.672 1.00 52.01 C ATOM 813 C LYS A 55 29.654 -3.704 2.994 1.00 71.13 C ATOM 814 O LYS A 55 29.588 -4.918 3.178 1.00 34.34 O ATOM 815 CB LYS A 55 29.108 -2.995 0.593 1.00 61.43 C ATOM 816 CG LYS A 55 28.388 -1.651 0.721 1.00 35.11 C ATOM 817 CD LYS A 55 29.245 -0.513 0.163 1.00 31.33 C ATOM 818 CE LYS A 55 28.563 0.840 0.373 1.00 31.13 C ATOM 819 NZ LYS A 55 29.509 1.945 0.099 1.00 40.52 N1+ ATOM 0 H LYS A 55 31.136 -4.361 0.256 1.00 3.10 H new ATOM 0 HA LYS A 55 30.545 -2.136 1.872 1.00 52.01 H new ATOM 0 HB2 LYS A 55 29.564 -3.075 -0.394 1.00 61.43 H new ATOM 0 HB3 LYS A 55 28.387 -3.808 0.678 1.00 61.43 H new ATOM 0 HG2 LYS A 55 27.439 -1.691 0.187 1.00 35.11 H new ATOM 0 HG3 LYS A 55 28.157 -1.457 1.768 1.00 35.11 H new ATOM 0 HD2 LYS A 55 30.219 -0.513 0.652 1.00 31.33 H new ATOM 0 HD3 LYS A 55 29.422 -0.674 -0.900 1.00 31.33 H new ATOM 0 HE2 LYS A 55 27.697 0.923 -0.284 1.00 31.13 H new ATOM 0 HE3 LYS A 55 28.195 0.914 1.396 1.00 31.13 H new ATOM 0 HZ1 LYS A 55 29.030 2.856 0.246 1.00 40.52 H new ATOM 0 HZ2 LYS A 55 30.323 1.873 0.743 1.00 40.52 H new ATOM 0 HZ3 LYS A 55 29.840 1.883 -0.885 1.00 40.52 H new ATOM 832 N GLY A 56 29.290 -2.789 3.882 1.00 14.34 N ATOM 833 CA GLY A 56 28.769 -3.176 5.182 1.00 1.53 C ATOM 834 C GLY A 56 27.644 -2.237 5.622 1.00 71.44 C ATOM 835 O GLY A 56 27.868 -1.319 6.410 1.00 74.10 O ATOM 0 H GLY A 56 29.346 -1.782 3.727 1.00 14.34 H new ATOM 0 HA2 GLY A 56 28.397 -4.200 5.139 1.00 1.53 H new ATOM 0 HA3 GLY A 56 29.571 -3.159 5.919 1.00 1.53 H new ATOM 839 N ILE A 57 26.457 -2.499 5.094 1.00 74.01 N ATOM 840 CA ILE A 57 25.296 -1.689 5.423 1.00 43.32 C ATOM 841 C ILE A 57 24.051 -2.577 5.453 1.00 62.24 C ATOM 842 O ILE A 57 24.103 -3.739 5.050 1.00 3.42 O ATOM 843 CB ILE A 57 25.182 -0.503 4.464 1.00 40.53 C ATOM 844 CG1 ILE A 57 24.961 -0.979 3.026 1.00 32.54 C ATOM 845 CG2 ILE A 57 26.398 0.418 4.582 1.00 3.00 C ATOM 846 CD1 ILE A 57 23.476 -1.230 2.754 1.00 32.33 C ATOM 0 H ILE A 57 26.274 -3.261 4.441 1.00 74.01 H new ATOM 0 HA ILE A 57 25.403 -1.257 6.418 1.00 43.32 H new ATOM 0 HB ILE A 57 24.307 0.082 4.748 1.00 40.53 H new ATOM 0 HG12 ILE A 57 25.341 -0.232 2.329 1.00 32.54 H new ATOM 0 HG13 ILE A 57 25.526 -1.894 2.851 1.00 32.54 H new ATOM 0 HG21 ILE A 57 26.291 1.253 3.889 1.00 3.00 H new ATOM 0 HG22 ILE A 57 26.468 0.799 5.601 1.00 3.00 H new ATOM 0 HG23 ILE A 57 27.302 -0.140 4.340 1.00 3.00 H new ATOM 0 HD11 ILE A 57 23.346 -1.567 1.726 1.00 32.33 H new ATOM 0 HD12 ILE A 57 23.105 -1.995 3.436 1.00 32.33 H new ATOM 0 HD13 ILE A 57 22.917 -0.307 2.906 1.00 32.33 H new ATOM 858 N ILE A 58 22.961 -1.998 5.932 1.00 34.44 N ATOM 859 CA ILE A 58 21.705 -2.724 6.020 1.00 71.13 C ATOM 860 C ILE A 58 20.751 -2.216 4.937 1.00 61.15 C ATOM 861 O ILE A 58 20.651 -1.012 4.707 1.00 1.32 O ATOM 862 CB ILE A 58 21.131 -2.634 7.436 1.00 10.41 C ATOM 863 CG1 ILE A 58 22.125 -3.174 8.466 1.00 53.34 C ATOM 864 CG2 ILE A 58 19.775 -3.336 7.524 1.00 13.54 C ATOM 865 CD1 ILE A 58 21.963 -4.685 8.644 1.00 42.52 C ATOM 0 H ILE A 58 22.921 -1.034 6.264 1.00 34.44 H new ATOM 0 HA ILE A 58 21.865 -3.786 5.833 1.00 71.13 H new ATOM 0 HB ILE A 58 20.964 -1.583 7.671 1.00 10.41 H new ATOM 0 HG12 ILE A 58 23.143 -2.949 8.147 1.00 53.34 H new ATOM 0 HG13 ILE A 58 21.972 -2.673 9.422 1.00 53.34 H new ATOM 0 HG21 ILE A 58 19.390 -3.257 8.541 1.00 13.54 H new ATOM 0 HG22 ILE A 58 19.076 -2.865 6.833 1.00 13.54 H new ATOM 0 HG23 ILE A 58 19.892 -4.387 7.261 1.00 13.54 H new ATOM 0 HD11 ILE A 58 22.681 -5.044 9.381 1.00 42.52 H new ATOM 0 HD12 ILE A 58 20.952 -4.905 8.986 1.00 42.52 H new ATOM 0 HD13 ILE A 58 22.141 -5.185 7.692 1.00 42.52 H new ATOM 877 N TRP A 59 20.074 -3.160 4.300 1.00 12.43 N ATOM 878 CA TRP A 59 19.132 -2.823 3.246 1.00 31.13 C ATOM 879 C TRP A 59 17.826 -2.375 3.905 1.00 62.44 C ATOM 880 O TRP A 59 17.485 -2.836 4.993 1.00 4.32 O ATOM 881 CB TRP A 59 18.943 -3.997 2.283 1.00 3.14 C ATOM 882 CG TRP A 59 20.125 -4.222 1.337 1.00 60.14 C ATOM 883 CD1 TRP A 59 20.919 -5.298 1.250 1.00 33.12 C ATOM 884 CD2 TRP A 59 20.616 -3.301 0.340 1.00 22.32 C ATOM 885 NE1 TRP A 59 21.883 -5.138 0.275 1.00 43.14 N ATOM 886 CE2 TRP A 59 21.692 -3.886 -0.297 1.00 22.33 C ATOM 887 CE3 TRP A 59 20.164 -2.016 -0.012 1.00 1.23 C ATOM 888 CZ2 TRP A 59 22.407 -3.258 -1.324 1.00 75.24 C ATOM 889 CZ3 TRP A 59 20.890 -1.404 -1.040 1.00 14.52 C ATOM 890 CH2 TRP A 59 21.975 -1.979 -1.691 1.00 62.15 C ATOM 0 H TRP A 59 20.159 -4.158 4.493 1.00 12.43 H new ATOM 0 HA TRP A 59 19.513 -2.004 2.636 1.00 31.13 H new ATOM 0 HB2 TRP A 59 18.776 -4.905 2.862 1.00 3.14 H new ATOM 0 HB3 TRP A 59 18.044 -3.827 1.691 1.00 3.14 H new ATOM 0 HD1 TRP A 59 20.817 -6.180 1.865 1.00 33.12 H new ATOM 0 HE1 TRP A 59 22.603 -5.814 0.021 1.00 43.14 H new ATOM 0 HE3 TRP A 59 19.324 -1.540 0.472 1.00 1.23 H new ATOM 0 HZ2 TRP A 59 23.247 -3.735 -1.807 1.00 75.24 H new ATOM 0 HZ3 TRP A 59 20.586 -0.415 -1.349 1.00 14.52 H new ATOM 0 HH2 TRP A 59 22.483 -1.440 -2.477 1.00 62.15 H new ATOM 901 N GLY A 60 17.130 -1.481 3.218 1.00 60.12 N ATOM 902 CA GLY A 60 15.869 -0.966 3.723 1.00 61.54 C ATOM 903 C GLY A 60 15.221 -0.015 2.713 1.00 2.44 C ATOM 904 O GLY A 60 15.616 0.021 1.548 1.00 64.10 O ATOM 0 H GLY A 60 17.416 -1.100 2.316 1.00 60.12 H new ATOM 0 HA2 GLY A 60 15.192 -1.794 3.934 1.00 61.54 H new ATOM 0 HA3 GLY A 60 16.037 -0.443 4.665 1.00 61.54 H new ATOM 908 N GLU A 61 14.238 0.729 3.196 1.00 1.02 N ATOM 909 CA GLU A 61 13.533 1.677 2.350 1.00 43.51 C ATOM 910 C GLU A 61 14.407 2.903 2.081 1.00 54.24 C ATOM 911 O GLU A 61 14.336 3.497 1.006 1.00 64.13 O ATOM 912 CB GLU A 61 12.197 2.083 2.977 1.00 4.31 C ATOM 913 CG GLU A 61 11.073 1.146 2.529 1.00 42.02 C ATOM 914 CD GLU A 61 10.406 1.663 1.252 1.00 40.13 C ATOM 915 OE1 GLU A 61 11.067 2.309 0.425 1.00 42.11 O ATOM 916 OE2 GLU A 61 9.155 1.370 1.134 1.00 53.22 O1- ATOM 0 H GLU A 61 13.913 0.695 4.162 1.00 1.02 H new ATOM 0 HA GLU A 61 13.318 1.193 1.397 1.00 43.51 H new ATOM 0 HB2 GLU A 61 12.280 2.063 4.064 1.00 4.31 H new ATOM 0 HB3 GLU A 61 11.955 3.108 2.695 1.00 4.31 H new ATOM 0 HG2 GLU A 61 11.474 0.147 2.356 1.00 42.02 H new ATOM 0 HG3 GLU A 61 10.330 1.058 3.322 1.00 42.02 H new ATOM 924 N ASP A 62 15.212 3.246 3.076 1.00 41.03 N ATOM 925 CA ASP A 62 16.100 4.390 2.960 1.00 11.04 C ATOM 926 C ASP A 62 17.218 4.064 1.968 1.00 64.11 C ATOM 927 O ASP A 62 17.425 4.794 1.000 1.00 4.51 O ATOM 928 CB ASP A 62 16.745 4.725 4.307 1.00 52.14 C ATOM 929 CG ASP A 62 15.929 5.662 5.200 1.00 62.42 C ATOM 930 OD1 ASP A 62 14.815 5.325 5.629 1.00 35.04 O ATOM 931 OD2 ASP A 62 16.488 6.795 5.456 1.00 62.51 O1- ATOM 0 H ASP A 62 15.268 2.751 3.966 1.00 41.03 H new ATOM 0 HA ASP A 62 15.510 5.242 2.621 1.00 11.04 H new ATOM 0 HB2 ASP A 62 16.924 3.796 4.848 1.00 52.14 H new ATOM 0 HB3 ASP A 62 17.719 5.179 4.124 1.00 52.14 H new ATOM 937 N THR A 63 17.910 2.969 2.244 1.00 73.22 N ATOM 938 CA THR A 63 19.002 2.538 1.387 1.00 3.24 C ATOM 939 C THR A 63 18.495 2.276 -0.032 1.00 11.02 C ATOM 940 O THR A 63 19.080 2.757 -1.002 1.00 1.20 O ATOM 941 CB THR A 63 19.656 1.315 2.034 1.00 40.22 C ATOM 942 OG1 THR A 63 18.556 0.553 2.526 1.00 4.21 O ATOM 943 CG2 THR A 63 20.452 1.673 3.290 1.00 44.33 C ATOM 0 H THR A 63 17.736 2.367 3.049 1.00 73.22 H new ATOM 0 HA THR A 63 19.759 3.316 1.289 1.00 3.24 H new ATOM 0 HB THR A 63 20.314 0.831 1.313 1.00 40.22 H new ATOM 0 HG1 THR A 63 18.559 0.569 3.506 1.00 4.21 H new ATOM 0 HG21 THR A 63 20.895 0.770 3.710 1.00 44.33 H new ATOM 0 HG22 THR A 63 21.242 2.378 3.032 1.00 44.33 H new ATOM 0 HG23 THR A 63 19.787 2.126 4.025 1.00 44.33 H new ATOM 951 N LEU A 64 17.412 1.516 -0.109 1.00 10.45 N ATOM 952 CA LEU A 64 16.820 1.184 -1.394 1.00 43.40 C ATOM 953 C LEU A 64 16.462 2.475 -2.133 1.00 72.41 C ATOM 954 O LEU A 64 16.853 2.663 -3.285 1.00 42.34 O ATOM 955 CB LEU A 64 15.637 0.233 -1.208 1.00 75.52 C ATOM 956 CG LEU A 64 15.981 -1.183 -0.740 1.00 12.32 C ATOM 957 CD1 LEU A 64 14.779 -1.842 -0.060 1.00 31.02 C ATOM 958 CD2 LEU A 64 16.520 -2.028 -1.896 1.00 20.25 C ATOM 0 H LEU A 64 16.929 1.121 0.698 1.00 10.45 H new ATOM 0 HA LEU A 64 17.535 0.647 -2.017 1.00 43.40 H new ATOM 0 HB2 LEU A 64 14.950 0.676 -0.486 1.00 75.52 H new ATOM 0 HB3 LEU A 64 15.102 0.161 -2.155 1.00 75.52 H new ATOM 0 HG LEU A 64 16.775 -1.113 0.004 1.00 12.32 H new ATOM 0 HD11 LEU A 64 15.050 -2.847 0.263 1.00 31.02 H new ATOM 0 HD12 LEU A 64 14.481 -1.250 0.806 1.00 31.02 H new ATOM 0 HD13 LEU A 64 13.949 -1.899 -0.764 1.00 31.02 H new ATOM 0 HD21 LEU A 64 16.756 -3.029 -1.536 1.00 20.25 H new ATOM 0 HD22 LEU A 64 15.767 -2.093 -2.681 1.00 20.25 H new ATOM 0 HD23 LEU A 64 17.422 -1.564 -2.296 1.00 20.25 H new ATOM 970 N MET A 65 15.725 3.330 -1.441 1.00 14.04 N ATOM 971 CA MET A 65 15.310 4.597 -2.018 1.00 64.51 C ATOM 972 C MET A 65 16.500 5.337 -2.633 1.00 44.11 C ATOM 973 O MET A 65 16.324 6.194 -3.497 1.00 35.15 O ATOM 974 CB MET A 65 14.673 5.468 -0.933 1.00 75.32 C ATOM 975 CG MET A 65 13.182 5.161 -0.788 1.00 12.54 C ATOM 976 SD MET A 65 12.234 6.203 -1.885 1.00 72.52 S ATOM 977 CE MET A 65 11.475 4.959 -2.916 1.00 71.41 C ATOM 0 H MET A 65 15.404 3.171 -0.486 1.00 14.04 H new ATOM 0 HA MET A 65 14.585 4.395 -2.807 1.00 64.51 H new ATOM 0 HB2 MET A 65 15.177 5.297 0.018 1.00 75.32 H new ATOM 0 HB3 MET A 65 14.809 6.521 -1.181 1.00 75.32 H new ATOM 0 HG2 MET A 65 12.994 4.112 -1.017 1.00 12.54 H new ATOM 0 HG3 MET A 65 12.868 5.323 0.243 1.00 12.54 H new ATOM 0 HE1 MET A 65 10.802 5.437 -3.628 1.00 71.41 H new ATOM 0 HE2 MET A 65 12.248 4.414 -3.457 1.00 71.41 H new ATOM 0 HE3 MET A 65 10.910 4.265 -2.293 1.00 71.41 H new ATOM 987 N GLU A 66 17.686 4.976 -2.164 1.00 20.23 N ATOM 988 CA GLU A 66 18.904 5.594 -2.656 1.00 4.35 C ATOM 989 C GLU A 66 19.574 4.693 -3.695 1.00 12.41 C ATOM 990 O GLU A 66 20.236 5.179 -4.611 1.00 31.41 O ATOM 991 CB GLU A 66 19.863 5.910 -1.505 1.00 2.12 C ATOM 992 CG GLU A 66 21.259 6.249 -2.031 1.00 74.21 C ATOM 993 CD GLU A 66 22.019 7.132 -1.040 1.00 11.01 C ATOM 994 OE1 GLU A 66 22.422 8.251 -1.390 1.00 62.03 O ATOM 995 OE2 GLU A 66 22.187 6.618 0.131 1.00 61.41 O1- ATOM 0 H GLU A 66 17.828 4.263 -1.448 1.00 20.23 H new ATOM 0 HA GLU A 66 18.641 6.537 -3.136 1.00 4.35 H new ATOM 0 HB2 GLU A 66 19.476 6.747 -0.924 1.00 2.12 H new ATOM 0 HB3 GLU A 66 19.922 5.055 -0.831 1.00 2.12 H new ATOM 0 HG2 GLU A 66 21.818 5.330 -2.208 1.00 74.21 H new ATOM 0 HG3 GLU A 66 21.176 6.761 -2.990 1.00 74.21 H new ATOM 1003 N TYR A 67 19.381 3.394 -3.517 1.00 2.54 N ATOM 1004 CA TYR A 67 19.958 2.419 -4.428 1.00 70.14 C ATOM 1005 C TYR A 67 19.210 2.406 -5.762 1.00 15.44 C ATOM 1006 O TYR A 67 19.796 2.677 -6.809 1.00 20.34 O ATOM 1007 CB TYR A 67 19.792 1.058 -3.749 1.00 71.01 C ATOM 1008 CG TYR A 67 20.732 -0.023 -4.286 1.00 33.43 C ATOM 1009 CD1 TYR A 67 22.051 0.281 -4.555 1.00 25.24 C ATOM 1010 CD2 TYR A 67 20.262 -1.302 -4.500 1.00 73.53 C ATOM 1011 CE1 TYR A 67 22.936 -0.737 -5.059 1.00 12.44 C ATOM 1012 CE2 TYR A 67 21.146 -2.320 -5.005 1.00 50.13 C ATOM 1013 CZ TYR A 67 22.440 -1.987 -5.259 1.00 70.00 C ATOM 1014 OH TYR A 67 23.276 -2.948 -5.736 1.00 1.15 O ATOM 0 H TYR A 67 18.833 2.994 -2.755 1.00 2.54 H new ATOM 0 HA TYR A 67 21.001 2.657 -4.636 1.00 70.14 H new ATOM 0 HB2 TYR A 67 19.962 1.174 -2.679 1.00 71.01 H new ATOM 0 HB3 TYR A 67 18.762 0.724 -3.874 1.00 71.01 H new ATOM 0 HD1 TYR A 67 22.419 1.282 -4.388 1.00 25.24 H new ATOM 0 HD2 TYR A 67 19.230 -1.540 -4.289 1.00 73.53 H new ATOM 0 HE1 TYR A 67 23.970 -0.513 -5.273 1.00 12.44 H new ATOM 0 HE2 TYR A 67 20.790 -3.325 -5.178 1.00 50.13 H new ATOM 0 HH TYR A 67 24.204 -2.647 -5.648 1.00 1.15 H new ATOM 1024 N LEU A 68 17.926 2.087 -5.680 1.00 3.24 N ATOM 1025 CA LEU A 68 17.092 2.034 -6.869 1.00 35.25 C ATOM 1026 C LEU A 68 17.381 3.255 -7.745 1.00 53.11 C ATOM 1027 O LEU A 68 17.572 3.126 -8.954 1.00 15.43 O ATOM 1028 CB LEU A 68 15.618 1.890 -6.484 1.00 63.11 C ATOM 1029 CG LEU A 68 15.116 0.459 -6.276 1.00 65.23 C ATOM 1030 CD1 LEU A 68 15.863 -0.223 -5.129 1.00 12.31 C ATOM 1031 CD2 LEU A 68 13.600 0.434 -6.069 1.00 71.44 C ATOM 0 H LEU A 68 17.444 1.863 -4.810 1.00 3.24 H new ATOM 0 HA LEU A 68 17.331 1.151 -7.462 1.00 35.25 H new ATOM 0 HB2 LEU A 68 15.446 2.451 -5.566 1.00 63.11 H new ATOM 0 HB3 LEU A 68 15.013 2.357 -7.261 1.00 63.11 H new ATOM 0 HG LEU A 68 15.326 -0.111 -7.181 1.00 65.23 H new ATOM 0 HD11 LEU A 68 15.487 -1.238 -5.003 1.00 12.31 H new ATOM 0 HD12 LEU A 68 16.928 -0.256 -5.358 1.00 12.31 H new ATOM 0 HD13 LEU A 68 15.707 0.339 -4.208 1.00 12.31 H new ATOM 0 HD21 LEU A 68 13.270 -0.594 -5.924 1.00 71.44 H new ATOM 0 HD22 LEU A 68 13.343 1.025 -5.190 1.00 71.44 H new ATOM 0 HD23 LEU A 68 13.106 0.853 -6.946 1.00 71.44 H new ATOM 1043 N GLU A 69 17.404 4.412 -7.101 1.00 15.25 N ATOM 1044 CA GLU A 69 17.667 5.656 -7.806 1.00 72.12 C ATOM 1045 C GLU A 69 18.949 5.536 -8.633 1.00 22.31 C ATOM 1046 O GLU A 69 18.990 5.965 -9.787 1.00 70.33 O ATOM 1047 CB GLU A 69 17.751 6.832 -6.832 1.00 51.12 C ATOM 1048 CG GLU A 69 18.183 8.112 -7.552 1.00 33.34 C ATOM 1049 CD GLU A 69 17.081 8.611 -8.489 1.00 54.43 C ATOM 1050 OE1 GLU A 69 16.852 8.012 -9.551 1.00 2.44 O ATOM 1051 OE2 GLU A 69 16.452 9.660 -8.080 1.00 3.24 O1- ATOM 0 H GLU A 69 17.245 4.515 -6.099 1.00 15.25 H new ATOM 0 HA GLU A 69 16.836 5.849 -8.485 1.00 72.12 H new ATOM 0 HB2 GLU A 69 16.781 6.987 -6.359 1.00 51.12 H new ATOM 0 HB3 GLU A 69 18.460 6.601 -6.037 1.00 51.12 H new ATOM 0 HG2 GLU A 69 18.420 8.884 -6.819 1.00 33.34 H new ATOM 0 HG3 GLU A 69 19.093 7.924 -8.122 1.00 33.34 H new ATOM 1059 N ASN A 70 19.963 4.951 -8.014 1.00 1.34 N ATOM 1060 CA ASN A 70 21.242 4.770 -8.678 1.00 62.35 C ATOM 1061 C ASN A 70 22.093 3.782 -7.877 1.00 55.43 C ATOM 1062 O ASN A 70 22.886 4.187 -7.028 1.00 45.53 O ATOM 1063 CB ASN A 70 22.009 6.091 -8.767 1.00 44.13 C ATOM 1064 CG ASN A 70 21.497 6.945 -9.928 1.00 34.34 C ATOM 1065 OD1 ASN A 70 21.534 6.554 -11.084 1.00 35.54 O ATOM 1066 ND2 ASN A 70 21.019 8.130 -9.559 1.00 0.54 N ATOM 0 H ASN A 70 19.925 4.596 -7.059 1.00 1.34 H new ATOM 0 HA ASN A 70 21.049 4.397 -9.684 1.00 62.35 H new ATOM 0 HB2 ASN A 70 21.903 6.641 -7.832 1.00 44.13 H new ATOM 0 HB3 ASN A 70 23.072 5.890 -8.900 1.00 44.13 H new ATOM 0 HD21 ASN A 70 20.654 8.774 -10.261 1.00 0.54 H new ATOM 0 HD22 ASN A 70 21.017 8.395 -8.574 1.00 0.54 H new ATOM 1073 N PRO A 71 21.894 2.473 -8.182 1.00 54.04 N ATOM 1074 CA PRO A 71 22.633 1.424 -7.501 1.00 32.44 C ATOM 1075 C PRO A 71 24.078 1.357 -8.001 1.00 41.31 C ATOM 1076 O PRO A 71 24.862 0.531 -7.536 1.00 74.34 O ATOM 1077 CB PRO A 71 21.851 0.149 -7.773 1.00 13.22 C ATOM 1078 CG PRO A 71 20.970 0.451 -8.974 1.00 74.42 C ATOM 1079 CD PRO A 71 20.964 1.956 -9.183 1.00 62.30 C ATOM 0 HA PRO A 71 22.720 1.600 -6.429 1.00 32.44 H new ATOM 0 HB2 PRO A 71 22.522 -0.684 -7.980 1.00 13.22 H new ATOM 0 HB3 PRO A 71 21.250 -0.133 -6.908 1.00 13.22 H new ATOM 0 HG2 PRO A 71 21.348 -0.056 -9.862 1.00 74.42 H new ATOM 0 HG3 PRO A 71 19.957 0.085 -8.806 1.00 74.42 H new ATOM 0 HD2 PRO A 71 21.283 2.217 -10.192 1.00 62.30 H new ATOM 0 HD3 PRO A 71 19.965 2.371 -9.047 1.00 62.30 H new ATOM 1087 N LYS A 72 24.386 2.238 -8.942 1.00 40.44 N ATOM 1088 CA LYS A 72 25.723 2.290 -9.510 1.00 22.32 C ATOM 1089 C LYS A 72 26.642 3.071 -8.568 1.00 63.53 C ATOM 1090 O LYS A 72 27.766 2.648 -8.301 1.00 45.42 O ATOM 1091 CB LYS A 72 25.678 2.851 -10.933 1.00 54.30 C ATOM 1092 CG LYS A 72 26.818 2.284 -11.781 1.00 41.01 C ATOM 1093 CD LYS A 72 28.160 2.898 -11.378 1.00 72.43 C ATOM 1094 CE LYS A 72 28.080 4.425 -11.356 1.00 51.53 C ATOM 1095 NZ LYS A 72 29.438 5.015 -11.347 1.00 51.14 N1+ ATOM 0 H LYS A 72 23.733 2.921 -9.325 1.00 40.44 H new ATOM 0 HA LYS A 72 26.139 1.287 -9.601 1.00 22.32 H new ATOM 0 HB2 LYS A 72 24.721 2.607 -11.394 1.00 54.30 H new ATOM 0 HB3 LYS A 72 25.749 3.938 -10.902 1.00 54.30 H new ATOM 0 HG2 LYS A 72 26.860 1.201 -11.663 1.00 41.01 H new ATOM 0 HG3 LYS A 72 26.625 2.483 -12.835 1.00 41.01 H new ATOM 0 HD2 LYS A 72 28.451 2.531 -10.393 1.00 72.43 H new ATOM 0 HD3 LYS A 72 28.934 2.581 -12.077 1.00 72.43 H new ATOM 0 HE2 LYS A 72 27.529 4.779 -12.227 1.00 51.53 H new ATOM 0 HE3 LYS A 72 27.528 4.754 -10.475 1.00 51.53 H new ATOM 0 HZ1 LYS A 72 29.366 6.052 -11.332 1.00 51.14 H new ATOM 0 HZ2 LYS A 72 29.951 4.692 -10.502 1.00 51.14 H new ATOM 0 HZ3 LYS A 72 29.952 4.716 -12.200 1.00 51.14 H new ATOM 1108 N LYS A 73 26.130 4.196 -8.091 1.00 4.23 N ATOM 1109 CA LYS A 73 26.892 5.039 -7.186 1.00 34.14 C ATOM 1110 C LYS A 73 27.080 4.310 -5.854 1.00 2.10 C ATOM 1111 O LYS A 73 28.166 4.338 -5.275 1.00 35.44 O ATOM 1112 CB LYS A 73 26.229 6.411 -7.047 1.00 1.20 C ATOM 1113 CG LYS A 73 25.149 6.391 -5.964 1.00 32.13 C ATOM 1114 CD LYS A 73 24.473 7.758 -5.837 1.00 55.50 C ATOM 1115 CE LYS A 73 25.292 8.693 -4.943 1.00 5.11 C ATOM 1116 NZ LYS A 73 26.354 9.363 -5.727 1.00 51.34 N1+ ATOM 0 H LYS A 73 25.197 4.543 -8.314 1.00 4.23 H new ATOM 0 HA LYS A 73 27.887 5.230 -7.589 1.00 34.14 H new ATOM 0 HB2 LYS A 73 26.982 7.159 -6.801 1.00 1.20 H new ATOM 0 HB3 LYS A 73 25.788 6.704 -8.000 1.00 1.20 H new ATOM 0 HG2 LYS A 73 24.403 5.633 -6.204 1.00 32.13 H new ATOM 0 HG3 LYS A 73 25.592 6.111 -5.009 1.00 32.13 H new ATOM 0 HD2 LYS A 73 24.356 8.203 -6.825 1.00 55.50 H new ATOM 0 HD3 LYS A 73 23.472 7.636 -5.422 1.00 55.50 H new ATOM 0 HE2 LYS A 73 24.638 9.440 -4.493 1.00 5.11 H new ATOM 0 HE3 LYS A 73 25.738 8.126 -4.126 1.00 5.11 H new ATOM 0 HZ1 LYS A 73 27.283 8.991 -5.442 1.00 51.34 H new ATOM 0 HZ2 LYS A 73 26.204 9.182 -6.740 1.00 51.34 H new ATOM 0 HZ3 LYS A 73 26.322 10.387 -5.550 1.00 51.34 H new ATOM 1129 N TYR A 74 26.007 3.674 -5.406 1.00 21.02 N ATOM 1130 CA TYR A 74 26.041 2.939 -4.153 1.00 11.41 C ATOM 1131 C TYR A 74 27.166 1.902 -4.157 1.00 42.23 C ATOM 1132 O TYR A 74 28.048 1.936 -3.301 1.00 73.43 O ATOM 1133 CB TYR A 74 24.696 2.215 -4.054 1.00 34.24 C ATOM 1134 CG TYR A 74 24.288 1.858 -2.623 1.00 13.51 C ATOM 1135 CD1 TYR A 74 25.199 1.267 -1.771 1.00 55.13 C ATOM 1136 CD2 TYR A 74 23.007 2.126 -2.184 1.00 0.20 C ATOM 1137 CE1 TYR A 74 24.814 0.931 -0.425 1.00 30.14 C ATOM 1138 CE2 TYR A 74 22.622 1.790 -0.838 1.00 65.02 C ATOM 1139 CZ TYR A 74 23.545 1.209 -0.025 1.00 60.53 C ATOM 1140 OH TYR A 74 23.181 0.891 1.246 1.00 63.13 O ATOM 0 H TYR A 74 25.109 3.653 -5.889 1.00 21.02 H new ATOM 0 HA TYR A 74 26.216 3.614 -3.315 1.00 11.41 H new ATOM 0 HB2 TYR A 74 23.923 2.844 -4.496 1.00 34.24 H new ATOM 0 HB3 TYR A 74 24.742 1.302 -4.647 1.00 34.24 H new ATOM 0 HD1 TYR A 74 26.201 1.057 -2.114 1.00 55.13 H new ATOM 0 HD2 TYR A 74 22.293 2.588 -2.850 1.00 0.20 H new ATOM 0 HE1 TYR A 74 25.517 0.469 0.252 1.00 30.14 H new ATOM 0 HE2 TYR A 74 21.623 1.995 -0.482 1.00 65.02 H new ATOM 0 HH TYR A 74 22.759 1.668 1.669 1.00 63.13 H new ATOM 1150 N ILE A 75 27.098 1.004 -5.129 1.00 35.22 N ATOM 1151 CA ILE A 75 28.100 -0.040 -5.255 1.00 2.31 C ATOM 1152 C ILE A 75 28.597 -0.093 -6.700 1.00 30.40 C ATOM 1153 O ILE A 75 28.099 -0.879 -7.504 1.00 3.45 O ATOM 1154 CB ILE A 75 27.550 -1.373 -4.744 1.00 64.10 C ATOM 1155 CG1 ILE A 75 26.622 -1.162 -3.547 1.00 71.04 C ATOM 1156 CG2 ILE A 75 28.686 -2.348 -4.423 1.00 52.55 C ATOM 1157 CD1 ILE A 75 26.020 -2.488 -3.079 1.00 1.01 C ATOM 0 H ILE A 75 26.364 0.978 -5.837 1.00 35.22 H new ATOM 0 HA ILE A 75 28.964 0.183 -4.629 1.00 2.31 H new ATOM 0 HB ILE A 75 26.953 -1.822 -5.538 1.00 64.10 H new ATOM 0 HG12 ILE A 75 27.177 -0.702 -2.729 1.00 71.04 H new ATOM 0 HG13 ILE A 75 25.823 -0.472 -3.819 1.00 71.04 H new ATOM 0 HG21 ILE A 75 28.268 -3.288 -4.062 1.00 52.55 H new ATOM 0 HG22 ILE A 75 29.271 -2.534 -5.323 1.00 52.55 H new ATOM 0 HG23 ILE A 75 29.329 -1.918 -3.655 1.00 52.55 H new ATOM 0 HD11 ILE A 75 25.364 -2.309 -2.227 1.00 1.01 H new ATOM 0 HD12 ILE A 75 25.446 -2.934 -3.891 1.00 1.01 H new ATOM 0 HD13 ILE A 75 26.820 -3.167 -2.785 1.00 1.01 H new ATOM 1169 N PRO A 76 29.599 0.779 -6.996 1.00 75.43 N ATOM 1170 CA PRO A 76 30.170 0.838 -8.331 1.00 60.41 C ATOM 1171 C PRO A 76 31.086 -0.359 -8.591 1.00 71.21 C ATOM 1172 O PRO A 76 31.900 -0.718 -7.740 1.00 23.43 O ATOM 1173 CB PRO A 76 30.901 2.170 -8.387 1.00 52.32 C ATOM 1174 CG PRO A 76 31.107 2.593 -6.942 1.00 32.44 C ATOM 1175 CD PRO A 76 30.215 1.725 -6.070 1.00 2.31 C ATOM 0 HA PRO A 76 29.414 0.780 -9.114 1.00 60.41 H new ATOM 0 HB2 PRO A 76 31.855 2.071 -8.905 1.00 52.32 H new ATOM 0 HB3 PRO A 76 30.318 2.913 -8.932 1.00 52.32 H new ATOM 0 HG2 PRO A 76 32.152 2.475 -6.655 1.00 32.44 H new ATOM 0 HG3 PRO A 76 30.858 3.646 -6.813 1.00 32.44 H new ATOM 0 HD2 PRO A 76 30.792 1.209 -5.303 1.00 2.31 H new ATOM 0 HD3 PRO A 76 29.462 2.322 -5.555 1.00 2.31 H new ATOM 1183 N GLY A 77 30.925 -0.943 -9.768 1.00 41.14 N ATOM 1184 CA GLY A 77 31.727 -2.093 -10.150 1.00 61.20 C ATOM 1185 C GLY A 77 30.985 -3.400 -9.866 1.00 2.42 C ATOM 1186 O GLY A 77 31.551 -4.483 -10.004 1.00 31.14 O ATOM 0 H GLY A 77 30.250 -0.641 -10.471 1.00 41.14 H new ATOM 0 HA2 GLY A 77 31.972 -2.033 -11.210 1.00 61.20 H new ATOM 0 HA3 GLY A 77 32.670 -2.080 -9.604 1.00 61.20 H new ATOM 1190 N THR A 78 29.727 -3.255 -9.473 1.00 45.32 N ATOM 1191 CA THR A 78 28.901 -4.411 -9.168 1.00 52.32 C ATOM 1192 C THR A 78 28.509 -5.141 -10.454 1.00 15.00 C ATOM 1193 O THR A 78 28.700 -4.618 -11.551 1.00 74.51 O ATOM 1194 CB THR A 78 27.700 -3.931 -8.351 1.00 44.04 C ATOM 1195 OG1 THR A 78 26.950 -5.117 -8.106 1.00 51.42 O ATOM 1196 CG2 THR A 78 26.750 -3.051 -9.168 1.00 71.52 C ATOM 0 H THR A 78 29.261 -2.355 -9.359 1.00 45.32 H new ATOM 0 HA THR A 78 29.447 -5.141 -8.571 1.00 52.32 H new ATOM 0 HB THR A 78 28.051 -3.376 -7.481 1.00 44.04 H new ATOM 0 HG1 THR A 78 26.153 -4.897 -7.580 1.00 51.42 H new ATOM 0 HG21 THR A 78 25.915 -2.737 -8.541 1.00 71.52 H new ATOM 0 HG22 THR A 78 27.286 -2.172 -9.526 1.00 71.52 H new ATOM 0 HG23 THR A 78 26.372 -3.617 -10.020 1.00 71.52 H new ATOM 1204 N LYS A 79 27.968 -6.337 -10.276 1.00 35.35 N ATOM 1205 CA LYS A 79 27.548 -7.145 -11.409 1.00 23.13 C ATOM 1206 C LYS A 79 26.175 -6.668 -11.887 1.00 32.14 C ATOM 1207 O LYS A 79 25.791 -6.915 -13.029 1.00 61.34 O ATOM 1208 CB LYS A 79 27.592 -8.631 -11.052 1.00 4.04 C ATOM 1209 CG LYS A 79 28.936 -9.005 -10.423 1.00 33.42 C ATOM 1210 CD LYS A 79 29.217 -10.501 -10.575 1.00 24.30 C ATOM 1211 CE LYS A 79 30.367 -10.939 -9.668 1.00 10.21 C ATOM 1212 NZ LYS A 79 31.665 -10.774 -10.359 1.00 45.34 N1+ ATOM 0 H LYS A 79 27.811 -6.766 -9.364 1.00 35.35 H new ATOM 0 HA LYS A 79 28.238 -7.021 -12.243 1.00 23.13 H new ATOM 0 HB2 LYS A 79 26.784 -8.866 -10.359 1.00 4.04 H new ATOM 0 HB3 LYS A 79 27.427 -9.229 -11.948 1.00 4.04 H new ATOM 0 HG2 LYS A 79 29.734 -8.432 -10.895 1.00 33.42 H new ATOM 0 HG3 LYS A 79 28.934 -8.738 -9.366 1.00 33.42 H new ATOM 0 HD2 LYS A 79 28.320 -11.070 -10.330 1.00 24.30 H new ATOM 0 HD3 LYS A 79 29.463 -10.725 -11.613 1.00 24.30 H new ATOM 0 HE2 LYS A 79 30.359 -10.350 -8.751 1.00 10.21 H new ATOM 0 HE3 LYS A 79 30.233 -11.981 -9.378 1.00 10.21 H new ATOM 0 HZ1 LYS A 79 32.438 -11.028 -9.711 1.00 45.34 H new ATOM 0 HZ2 LYS A 79 31.695 -11.394 -11.194 1.00 45.34 H new ATOM 0 HZ3 LYS A 79 31.775 -9.784 -10.658 1.00 45.34 H new ATOM 1225 N MET A 80 25.473 -5.991 -10.990 1.00 75.05 N ATOM 1226 CA MET A 80 24.151 -5.478 -11.306 1.00 44.10 C ATOM 1227 C MET A 80 24.125 -4.854 -12.703 1.00 15.21 C ATOM 1228 O MET A 80 25.058 -4.152 -13.092 1.00 11.50 O ATOM 1229 CB MET A 80 23.750 -4.425 -10.271 1.00 41.23 C ATOM 1230 CG MET A 80 22.228 -4.313 -10.163 1.00 12.33 C ATOM 1231 SD MET A 80 21.616 -5.473 -8.952 1.00 55.50 S ATOM 1232 CE MET A 80 21.371 -4.375 -7.566 1.00 4.13 C ATOM 0 H MET A 80 25.795 -5.786 -10.044 1.00 75.05 H new ATOM 0 HA MET A 80 23.446 -6.309 -11.285 1.00 44.10 H new ATOM 0 HB2 MET A 80 24.169 -4.687 -9.299 1.00 41.23 H new ATOM 0 HB3 MET A 80 24.170 -3.458 -10.549 1.00 41.23 H new ATOM 0 HG2 MET A 80 21.949 -3.298 -9.880 1.00 12.33 H new ATOM 0 HG3 MET A 80 21.771 -4.511 -11.132 1.00 12.33 H new ATOM 0 HE1 MET A 80 21.798 -4.822 -6.668 1.00 4.13 H new ATOM 0 HE2 MET A 80 21.862 -3.422 -7.765 1.00 4.13 H new ATOM 0 HE3 MET A 80 20.304 -4.210 -7.417 1.00 4.13 H new ATOM 1242 N ILE A 81 23.047 -5.134 -13.421 1.00 73.13 N ATOM 1243 CA ILE A 81 22.887 -4.610 -14.767 1.00 63.41 C ATOM 1244 C ILE A 81 21.677 -3.675 -14.805 1.00 63.43 C ATOM 1245 O ILE A 81 20.836 -3.777 -15.698 1.00 21.32 O ATOM 1246 CB ILE A 81 22.814 -5.752 -15.782 1.00 65.11 C ATOM 1247 CG1 ILE A 81 23.927 -6.774 -15.539 1.00 3.45 C ATOM 1248 CG2 ILE A 81 22.831 -5.215 -17.214 1.00 43.10 C ATOM 1249 CD1 ILE A 81 25.306 -6.139 -15.737 1.00 64.30 C ATOM 0 H ILE A 81 22.276 -5.717 -13.096 1.00 73.13 H new ATOM 0 HA ILE A 81 23.757 -4.018 -15.051 1.00 63.41 H new ATOM 0 HB ILE A 81 21.865 -6.271 -15.645 1.00 65.11 H new ATOM 0 HG12 ILE A 81 23.847 -7.171 -14.527 1.00 3.45 H new ATOM 0 HG13 ILE A 81 23.809 -7.616 -16.222 1.00 3.45 H new ATOM 0 HG21 ILE A 81 22.778 -6.048 -17.915 1.00 43.10 H new ATOM 0 HG22 ILE A 81 21.975 -4.557 -17.366 1.00 43.10 H new ATOM 0 HG23 ILE A 81 23.752 -4.657 -17.382 1.00 43.10 H new ATOM 0 HD11 ILE A 81 26.080 -6.886 -15.558 1.00 64.30 H new ATOM 0 HD12 ILE A 81 25.391 -5.765 -16.757 1.00 64.30 H new ATOM 0 HD13 ILE A 81 25.430 -5.313 -15.036 1.00 64.30 H new ATOM 1261 N PHE A 82 21.626 -2.784 -13.825 1.00 51.30 N ATOM 1262 CA PHE A 82 20.533 -1.832 -13.736 1.00 2.04 C ATOM 1263 C PHE A 82 21.046 -0.394 -13.850 1.00 11.53 C ATOM 1264 O PHE A 82 22.166 -0.097 -13.436 1.00 33.35 O ATOM 1265 CB PHE A 82 19.885 -2.021 -12.362 1.00 11.41 C ATOM 1266 CG PHE A 82 18.487 -1.412 -12.244 1.00 52.20 C ATOM 1267 CD1 PHE A 82 17.516 -1.761 -13.129 1.00 24.33 C ATOM 1268 CD2 PHE A 82 18.216 -0.520 -11.254 1.00 64.53 C ATOM 1269 CE1 PHE A 82 16.218 -1.195 -13.019 1.00 21.13 C ATOM 1270 CE2 PHE A 82 16.919 0.046 -11.143 1.00 62.32 C ATOM 1271 CZ PHE A 82 15.947 -0.304 -12.028 1.00 52.30 C ATOM 0 H PHE A 82 22.324 -2.702 -13.086 1.00 51.30 H new ATOM 0 HA PHE A 82 19.825 -2.003 -14.547 1.00 2.04 H new ATOM 0 HB2 PHE A 82 19.825 -3.087 -12.144 1.00 11.41 H new ATOM 0 HB3 PHE A 82 20.529 -1.576 -11.604 1.00 11.41 H new ATOM 0 HD1 PHE A 82 17.732 -2.469 -13.916 1.00 24.33 H new ATOM 0 HD2 PHE A 82 18.988 -0.242 -10.552 1.00 64.53 H new ATOM 0 HE1 PHE A 82 15.446 -1.472 -13.722 1.00 21.13 H new ATOM 0 HE2 PHE A 82 16.704 0.754 -10.356 1.00 62.32 H new ATOM 0 HZ PHE A 82 14.960 0.126 -11.944 1.00 52.30 H new ATOM 1281 N VAL A 83 20.204 0.459 -14.414 1.00 11.14 N ATOM 1282 CA VAL A 83 20.559 1.857 -14.588 1.00 50.45 C ATOM 1283 C VAL A 83 19.940 2.680 -13.456 1.00 64.23 C ATOM 1284 O VAL A 83 20.510 3.683 -13.031 1.00 22.41 O ATOM 1285 CB VAL A 83 20.132 2.336 -15.977 1.00 72.20 C ATOM 1286 CG1 VAL A 83 20.864 1.559 -17.073 1.00 12.30 C ATOM 1287 CG2 VAL A 83 18.615 2.232 -16.151 1.00 22.20 C ATOM 0 H VAL A 83 19.276 0.209 -14.757 1.00 11.14 H new ATOM 0 HA VAL A 83 21.640 1.987 -14.532 1.00 50.45 H new ATOM 0 HB VAL A 83 20.408 3.386 -16.069 1.00 72.20 H new ATOM 0 HG11 VAL A 83 20.543 1.919 -18.050 1.00 12.30 H new ATOM 0 HG12 VAL A 83 21.939 1.706 -16.968 1.00 12.30 H new ATOM 0 HG13 VAL A 83 20.633 0.498 -16.983 1.00 12.30 H new ATOM 0 HG21 VAL A 83 18.338 2.579 -17.147 1.00 22.20 H new ATOM 0 HG22 VAL A 83 18.305 1.194 -16.029 1.00 22.20 H new ATOM 0 HG23 VAL A 83 18.120 2.849 -15.401 1.00 22.20 H new ATOM 1297 N GLY A 84 18.783 2.224 -13.001 1.00 42.12 N ATOM 1298 CA GLY A 84 18.081 2.905 -11.926 1.00 22.32 C ATOM 1299 C GLY A 84 16.657 3.273 -12.347 1.00 4.23 C ATOM 1300 O GLY A 84 16.244 2.985 -13.470 1.00 44.21 O ATOM 0 H GLY A 84 18.314 1.391 -13.357 1.00 42.12 H new ATOM 0 HA2 GLY A 84 18.049 2.264 -11.045 1.00 22.32 H new ATOM 0 HA3 GLY A 84 18.625 3.807 -11.645 1.00 22.32 H new ATOM 1304 N ILE A 85 15.945 3.904 -11.425 1.00 0.21 N ATOM 1305 CA ILE A 85 14.576 4.313 -11.687 1.00 22.34 C ATOM 1306 C ILE A 85 14.462 5.831 -11.526 1.00 73.43 C ATOM 1307 O ILE A 85 15.032 6.404 -10.599 1.00 55.21 O ATOM 1308 CB ILE A 85 13.603 3.527 -10.806 1.00 13.11 C ATOM 1309 CG1 ILE A 85 13.894 2.027 -10.872 1.00 31.10 C ATOM 1310 CG2 ILE A 85 12.152 3.846 -11.170 1.00 13.43 C ATOM 1311 CD1 ILE A 85 13.302 1.299 -9.664 1.00 71.13 C ATOM 0 H ILE A 85 16.291 4.142 -10.495 1.00 0.21 H new ATOM 0 HA ILE A 85 14.299 4.079 -12.715 1.00 22.34 H new ATOM 0 HB ILE A 85 13.751 3.839 -9.772 1.00 13.11 H new ATOM 0 HG12 ILE A 85 13.478 1.613 -11.790 1.00 31.10 H new ATOM 0 HG13 ILE A 85 14.971 1.863 -10.908 1.00 31.10 H new ATOM 0 HG21 ILE A 85 11.482 3.274 -10.529 1.00 13.43 H new ATOM 0 HG22 ILE A 85 11.967 4.911 -11.030 1.00 13.43 H new ATOM 0 HG23 ILE A 85 11.971 3.581 -12.212 1.00 13.43 H new ATOM 0 HD11 ILE A 85 13.524 0.234 -9.736 1.00 71.13 H new ATOM 0 HD12 ILE A 85 13.738 1.699 -8.749 1.00 71.13 H new ATOM 0 HD13 ILE A 85 12.222 1.444 -9.645 1.00 71.13 H new ATOM 1323 N LYS A 86 13.723 6.438 -12.443 1.00 70.13 N ATOM 1324 CA LYS A 86 13.528 7.877 -12.414 1.00 52.41 C ATOM 1325 C LYS A 86 12.228 8.196 -11.672 1.00 72.24 C ATOM 1326 O LYS A 86 12.092 9.269 -11.086 1.00 12.14 O ATOM 1327 CB LYS A 86 13.586 8.454 -13.830 1.00 14.22 C ATOM 1328 CG LYS A 86 12.266 8.225 -14.569 1.00 24.43 C ATOM 1329 CD LYS A 86 12.319 8.814 -15.981 1.00 71.23 C ATOM 1330 CE LYS A 86 11.843 10.267 -15.987 1.00 51.35 C ATOM 1331 NZ LYS A 86 11.636 10.739 -17.375 1.00 32.04 N1+ ATOM 0 H LYS A 86 13.252 5.959 -13.211 1.00 70.13 H new ATOM 0 HA LYS A 86 14.336 8.360 -11.865 1.00 52.41 H new ATOM 0 HB2 LYS A 86 13.800 9.522 -13.783 1.00 14.22 H new ATOM 0 HB3 LYS A 86 14.402 7.989 -14.383 1.00 14.22 H new ATOM 0 HG2 LYS A 86 12.057 7.157 -14.624 1.00 24.43 H new ATOM 0 HG3 LYS A 86 11.449 8.682 -14.011 1.00 24.43 H new ATOM 0 HD2 LYS A 86 13.338 8.760 -16.363 1.00 71.23 H new ATOM 0 HD3 LYS A 86 11.696 8.221 -16.650 1.00 71.23 H new ATOM 0 HE2 LYS A 86 10.913 10.354 -15.425 1.00 51.35 H new ATOM 0 HE3 LYS A 86 12.578 10.899 -15.488 1.00 51.35 H new ATOM 0 HZ1 LYS A 86 11.313 11.727 -17.361 1.00 32.04 H new ATOM 0 HZ2 LYS A 86 12.531 10.675 -17.901 1.00 32.04 H new ATOM 0 HZ3 LYS A 86 10.918 10.147 -17.840 1.00 32.04 H new ATOM 1344 N LYS A 87 11.307 7.245 -11.723 1.00 51.43 N ATOM 1345 CA LYS A 87 10.023 7.412 -11.062 1.00 71.11 C ATOM 1346 C LYS A 87 10.116 6.873 -9.634 1.00 30.25 C ATOM 1347 O LYS A 87 10.167 5.663 -9.424 1.00 52.34 O ATOM 1348 CB LYS A 87 8.908 6.770 -11.890 1.00 51.42 C ATOM 1349 CG LYS A 87 8.713 7.511 -13.215 1.00 42.12 C ATOM 1350 CD LYS A 87 7.361 7.167 -13.842 1.00 3.45 C ATOM 1351 CE LYS A 87 6.912 8.260 -14.814 1.00 15.15 C ATOM 1352 NZ LYS A 87 7.625 8.131 -16.104 1.00 2.13 N1+ ATOM 0 H LYS A 87 11.424 6.357 -12.211 1.00 51.43 H new ATOM 0 HA LYS A 87 9.766 8.469 -10.988 1.00 71.11 H new ATOM 0 HB2 LYS A 87 9.151 5.726 -12.086 1.00 51.42 H new ATOM 0 HB3 LYS A 87 7.977 6.780 -11.323 1.00 51.42 H new ATOM 0 HG2 LYS A 87 8.777 8.586 -13.047 1.00 42.12 H new ATOM 0 HG3 LYS A 87 9.515 7.248 -13.904 1.00 42.12 H new ATOM 0 HD2 LYS A 87 7.432 6.215 -14.368 1.00 3.45 H new ATOM 0 HD3 LYS A 87 6.614 7.043 -13.058 1.00 3.45 H new ATOM 0 HE2 LYS A 87 5.837 8.190 -14.978 1.00 15.15 H new ATOM 0 HE3 LYS A 87 7.105 9.242 -14.381 1.00 15.15 H new ATOM 0 HZ1 LYS A 87 7.309 8.880 -16.752 1.00 2.13 H new ATOM 0 HZ2 LYS A 87 8.649 8.220 -15.945 1.00 2.13 H new ATOM 0 HZ3 LYS A 87 7.419 7.202 -16.523 1.00 2.13 H new ATOM 1365 N LYS A 88 10.133 7.800 -8.686 1.00 73.34 N ATOM 1366 CA LYS A 88 10.218 7.433 -7.282 1.00 10.55 C ATOM 1367 C LYS A 88 8.992 6.601 -6.902 1.00 15.32 C ATOM 1368 O LYS A 88 9.081 5.706 -6.063 1.00 51.24 O ATOM 1369 CB LYS A 88 10.411 8.679 -6.414 1.00 73.43 C ATOM 1370 CG LYS A 88 10.042 8.393 -4.957 1.00 35.34 C ATOM 1371 CD LYS A 88 10.217 9.643 -4.092 1.00 1.31 C ATOM 1372 CE LYS A 88 10.438 9.269 -2.626 1.00 44.14 C ATOM 1373 NZ LYS A 88 9.418 8.294 -2.181 1.00 21.31 N1+ ATOM 0 H LYS A 88 10.089 8.804 -8.863 1.00 73.34 H new ATOM 0 HA LYS A 88 11.094 6.809 -7.103 1.00 10.55 H new ATOM 0 HB2 LYS A 88 11.448 9.010 -6.472 1.00 73.43 H new ATOM 0 HB3 LYS A 88 9.794 9.492 -6.796 1.00 73.43 H new ATOM 0 HG2 LYS A 88 9.009 8.049 -4.900 1.00 35.34 H new ATOM 0 HG3 LYS A 88 10.668 7.588 -4.571 1.00 35.34 H new ATOM 0 HD2 LYS A 88 11.065 10.224 -4.454 1.00 1.31 H new ATOM 0 HD3 LYS A 88 9.335 10.277 -4.180 1.00 1.31 H new ATOM 0 HE2 LYS A 88 11.434 8.846 -2.499 1.00 44.14 H new ATOM 0 HE3 LYS A 88 10.390 10.164 -2.005 1.00 44.14 H new ATOM 0 HZ1 LYS A 88 9.149 8.497 -1.197 1.00 21.31 H new ATOM 0 HZ2 LYS A 88 8.579 8.367 -2.791 1.00 21.31 H new ATOM 0 HZ3 LYS A 88 9.808 7.332 -2.242 1.00 21.31 H new ATOM 1386 N GLU A 89 7.876 6.927 -7.537 1.00 4.13 N ATOM 1387 CA GLU A 89 6.633 6.222 -7.274 1.00 30.31 C ATOM 1388 C GLU A 89 6.776 4.742 -7.641 1.00 34.03 C ATOM 1389 O GLU A 89 6.181 3.880 -6.995 1.00 20.11 O ATOM 1390 CB GLU A 89 5.468 6.864 -8.030 1.00 13.22 C ATOM 1391 CG GLU A 89 4.243 5.948 -8.029 1.00 72.24 C ATOM 1392 CD GLU A 89 2.960 6.749 -8.263 1.00 43.14 C ATOM 1393 OE1 GLU A 89 2.286 6.555 -9.286 1.00 43.15 O ATOM 1394 OE2 GLU A 89 2.670 7.596 -7.335 1.00 73.44 O1- ATOM 0 H GLU A 89 7.806 7.670 -8.233 1.00 4.13 H new ATOM 0 HA GLU A 89 6.415 6.294 -6.208 1.00 30.31 H new ATOM 0 HB2 GLU A 89 5.213 7.819 -7.570 1.00 13.22 H new ATOM 0 HB3 GLU A 89 5.768 7.075 -9.056 1.00 13.22 H new ATOM 0 HG2 GLU A 89 4.350 5.191 -8.806 1.00 72.24 H new ATOM 0 HG3 GLU A 89 4.179 5.421 -7.077 1.00 72.24 H new ATOM 1402 N GLU A 90 7.567 4.494 -8.674 1.00 5.05 N ATOM 1403 CA GLU A 90 7.794 3.135 -9.132 1.00 64.24 C ATOM 1404 C GLU A 90 8.782 2.420 -8.207 1.00 42.35 C ATOM 1405 O GLU A 90 8.990 1.215 -8.328 1.00 45.31 O ATOM 1406 CB GLU A 90 8.291 3.121 -10.580 1.00 25.43 C ATOM 1407 CG GLU A 90 7.118 3.120 -11.562 1.00 31.10 C ATOM 1408 CD GLU A 90 6.009 4.065 -11.093 1.00 25.43 C ATOM 1409 OE1 GLU A 90 5.076 3.630 -10.403 1.00 53.11 O ATOM 1410 OE2 GLU A 90 6.145 5.292 -11.469 1.00 24.22 O1- ATOM 0 H GLU A 90 8.059 5.212 -9.207 1.00 5.05 H new ATOM 0 HA GLU A 90 6.845 2.599 -9.102 1.00 64.24 H new ATOM 0 HB2 GLU A 90 8.920 3.992 -10.761 1.00 25.43 H new ATOM 0 HB3 GLU A 90 8.911 2.240 -10.747 1.00 25.43 H new ATOM 0 HG2 GLU A 90 7.466 3.423 -12.550 1.00 31.10 H new ATOM 0 HG3 GLU A 90 6.722 2.109 -11.660 1.00 31.10 H new ATOM 1418 N ARG A 91 9.364 3.196 -7.304 1.00 31.35 N ATOM 1419 CA ARG A 91 10.325 2.652 -6.358 1.00 20.15 C ATOM 1420 C ARG A 91 9.609 2.162 -5.098 1.00 3.32 C ATOM 1421 O ARG A 91 10.025 1.179 -4.487 1.00 1.04 O ATOM 1422 CB ARG A 91 11.368 3.701 -5.969 1.00 14.11 C ATOM 1423 CG ARG A 91 12.111 4.219 -7.202 1.00 42.25 C ATOM 1424 CD ARG A 91 13.236 5.176 -6.802 1.00 41.32 C ATOM 1425 NE ARG A 91 13.451 6.178 -7.870 1.00 5.33 N ATOM 1426 CZ ARG A 91 14.067 7.364 -7.682 1.00 1.11 C ATOM 1427 NH1 ARG A 91 14.535 7.708 -6.463 1.00 41.21 N ATOM 1428 NH2 ARG A 91 14.206 8.184 -8.708 1.00 32.24 N1+ ATOM 0 H ARG A 91 9.189 4.196 -7.207 1.00 31.35 H new ATOM 0 HA ARG A 91 10.830 1.816 -6.841 1.00 20.15 H new ATOM 0 HB2 ARG A 91 10.881 4.531 -5.458 1.00 14.11 H new ATOM 0 HB3 ARG A 91 12.080 3.268 -5.266 1.00 14.11 H new ATOM 0 HG2 ARG A 91 12.524 3.380 -7.761 1.00 42.25 H new ATOM 0 HG3 ARG A 91 11.412 4.730 -7.864 1.00 42.25 H new ATOM 0 HD2 ARG A 91 12.984 5.677 -5.867 1.00 41.32 H new ATOM 0 HD3 ARG A 91 14.155 4.617 -6.626 1.00 41.32 H new ATOM 0 HE ARG A 91 13.112 5.958 -8.807 1.00 5.33 H new ATOM 0 HH11 ARG A 91 14.424 7.069 -5.675 1.00 41.21 H new ATOM 0 HH12 ARG A 91 14.999 8.606 -6.330 1.00 41.21 H new ATOM 0 HH21 ARG A 91 13.850 7.917 -9.626 1.00 32.24 H new ATOM 0 HH22 ARG A 91 14.669 9.084 -8.582 1.00 32.24 H new ATOM 1441 N ALA A 92 8.546 2.870 -4.747 1.00 43.14 N ATOM 1442 CA ALA A 92 7.768 2.519 -3.570 1.00 61.50 C ATOM 1443 C ALA A 92 7.068 1.179 -3.808 1.00 12.24 C ATOM 1444 O ALA A 92 7.167 0.269 -2.986 1.00 11.23 O ATOM 1445 CB ALA A 92 6.781 3.645 -3.256 1.00 62.14 C ATOM 0 H ALA A 92 8.205 3.685 -5.256 1.00 43.14 H new ATOM 0 HA ALA A 92 8.416 2.403 -2.702 1.00 61.50 H new ATOM 0 HB1 ALA A 92 6.198 3.382 -2.374 1.00 62.14 H new ATOM 0 HB2 ALA A 92 7.330 4.568 -3.066 1.00 62.14 H new ATOM 0 HB3 ALA A 92 6.111 3.789 -4.104 1.00 62.14 H new ATOM 1451 N ASP A 93 6.376 1.101 -4.934 1.00 75.33 N ATOM 1452 CA ASP A 93 5.660 -0.112 -5.290 1.00 73.40 C ATOM 1453 C ASP A 93 6.655 -1.266 -5.424 1.00 31.00 C ATOM 1454 O ASP A 93 6.413 -2.361 -4.918 1.00 62.34 O ATOM 1455 CB ASP A 93 4.937 0.047 -6.630 1.00 62.14 C ATOM 1456 CG ASP A 93 4.080 1.308 -6.755 1.00 74.20 C ATOM 1457 OD1 ASP A 93 4.281 2.293 -6.030 1.00 71.11 O ATOM 1458 OD2 ASP A 93 3.160 1.253 -7.658 1.00 64.24 O1- ATOM 0 H ASP A 93 6.296 1.858 -5.612 1.00 75.33 H new ATOM 0 HA ASP A 93 4.928 -0.313 -4.507 1.00 73.40 H new ATOM 0 HB2 ASP A 93 5.679 0.049 -7.428 1.00 62.14 H new ATOM 0 HB3 ASP A 93 4.301 -0.824 -6.788 1.00 62.14 H new ATOM 1464 N LEU A 94 7.753 -0.982 -6.108 1.00 12.24 N ATOM 1465 CA LEU A 94 8.786 -1.982 -6.314 1.00 1.33 C ATOM 1466 C LEU A 94 9.393 -2.369 -4.963 1.00 21.32 C ATOM 1467 O LEU A 94 9.733 -3.530 -4.741 1.00 4.12 O ATOM 1468 CB LEU A 94 9.815 -1.488 -7.333 1.00 1.22 C ATOM 1469 CG LEU A 94 10.775 -2.545 -7.885 1.00 64.13 C ATOM 1470 CD1 LEU A 94 12.034 -2.646 -7.022 1.00 14.55 C ATOM 1471 CD2 LEU A 94 10.073 -3.896 -8.036 1.00 54.24 C ATOM 0 H LEU A 94 7.950 -0.073 -6.527 1.00 12.24 H new ATOM 0 HA LEU A 94 8.358 -2.889 -6.742 1.00 1.33 H new ATOM 0 HB2 LEU A 94 9.281 -1.039 -8.170 1.00 1.22 H new ATOM 0 HB3 LEU A 94 10.405 -0.697 -6.870 1.00 1.22 H new ATOM 0 HG LEU A 94 11.092 -2.233 -8.880 1.00 64.13 H new ATOM 0 HD11 LEU A 94 12.699 -3.404 -7.436 1.00 14.55 H new ATOM 0 HD12 LEU A 94 12.545 -1.683 -7.009 1.00 14.55 H new ATOM 0 HD13 LEU A 94 11.757 -2.923 -6.005 1.00 14.55 H new ATOM 0 HD21 LEU A 94 10.776 -4.630 -8.430 1.00 54.24 H new ATOM 0 HD22 LEU A 94 9.709 -4.228 -7.064 1.00 54.24 H new ATOM 0 HD23 LEU A 94 9.232 -3.795 -8.722 1.00 54.24 H new ATOM 1483 N ILE A 95 9.512 -1.373 -4.098 1.00 21.15 N ATOM 1484 CA ILE A 95 10.072 -1.594 -2.776 1.00 63.21 C ATOM 1485 C ILE A 95 9.001 -2.201 -1.867 1.00 63.41 C ATOM 1486 O ILE A 95 9.315 -2.742 -0.809 1.00 23.11 O ATOM 1487 CB ILE A 95 10.682 -0.301 -2.229 1.00 43.12 C ATOM 1488 CG1 ILE A 95 11.943 0.081 -3.007 1.00 32.14 C ATOM 1489 CG2 ILE A 95 10.946 -0.412 -0.727 1.00 73.02 C ATOM 1490 CD1 ILE A 95 12.306 1.550 -2.776 1.00 73.24 C ATOM 0 H ILE A 95 9.230 -0.411 -4.287 1.00 21.15 H new ATOM 0 HA ILE A 95 10.892 -2.310 -2.825 1.00 63.21 H new ATOM 0 HB ILE A 95 9.961 0.504 -2.369 1.00 43.12 H new ATOM 0 HG12 ILE A 95 12.772 -0.555 -2.698 1.00 32.14 H new ATOM 0 HG13 ILE A 95 11.786 -0.095 -4.071 1.00 32.14 H new ATOM 0 HG21 ILE A 95 11.379 0.520 -0.364 1.00 73.02 H new ATOM 0 HG22 ILE A 95 10.008 -0.603 -0.206 1.00 73.02 H new ATOM 0 HG23 ILE A 95 11.639 -1.232 -0.539 1.00 73.02 H new ATOM 0 HD11 ILE A 95 13.206 1.796 -3.340 1.00 73.24 H new ATOM 0 HD12 ILE A 95 11.485 2.184 -3.109 1.00 73.24 H new ATOM 0 HD13 ILE A 95 12.487 1.718 -1.714 1.00 73.24 H new ATOM 1502 N ALA A 96 7.759 -2.089 -2.314 1.00 32.22 N ATOM 1503 CA ALA A 96 6.639 -2.619 -1.555 1.00 61.14 C ATOM 1504 C ALA A 96 6.623 -4.144 -1.678 1.00 33.13 C ATOM 1505 O ALA A 96 6.352 -4.845 -0.705 1.00 22.11 O ATOM 1506 CB ALA A 96 5.340 -1.979 -2.046 1.00 55.41 C ATOM 0 H ALA A 96 7.503 -1.639 -3.193 1.00 32.22 H new ATOM 0 HA ALA A 96 6.741 -2.375 -0.498 1.00 61.14 H new ATOM 0 HB1 ALA A 96 4.500 -2.377 -1.476 1.00 55.41 H new ATOM 0 HB2 ALA A 96 5.392 -0.899 -1.909 1.00 55.41 H new ATOM 0 HB3 ALA A 96 5.200 -2.204 -3.103 1.00 55.41 H new ATOM 1512 N TYR A 97 6.915 -4.611 -2.883 1.00 60.33 N ATOM 1513 CA TYR A 97 6.935 -6.040 -3.146 1.00 13.11 C ATOM 1514 C TYR A 97 8.300 -6.641 -2.800 1.00 22.34 C ATOM 1515 O TYR A 97 8.396 -7.821 -2.469 1.00 64.42 O ATOM 1516 CB TYR A 97 6.689 -6.196 -4.648 1.00 3.14 C ATOM 1517 CG TYR A 97 7.227 -7.502 -5.235 1.00 15.05 C ATOM 1518 CD1 TYR A 97 6.997 -8.697 -4.584 1.00 21.51 C ATOM 1519 CD2 TYR A 97 7.942 -7.487 -6.416 1.00 74.52 C ATOM 1520 CE1 TYR A 97 7.504 -9.928 -5.135 1.00 54.24 C ATOM 1521 CE2 TYR A 97 8.448 -8.716 -6.967 1.00 1.23 C ATOM 1522 CZ TYR A 97 8.205 -9.876 -6.300 1.00 73.54 C ATOM 1523 OH TYR A 97 8.683 -11.038 -6.822 1.00 60.45 O ATOM 0 H TYR A 97 7.140 -4.026 -3.688 1.00 60.33 H new ATOM 0 HA TYR A 97 6.184 -6.552 -2.544 1.00 13.11 H new ATOM 0 HB2 TYR A 97 5.617 -6.139 -4.838 1.00 3.14 H new ATOM 0 HB3 TYR A 97 7.150 -5.358 -5.170 1.00 3.14 H new ATOM 0 HD1 TYR A 97 6.437 -8.709 -3.661 1.00 21.51 H new ATOM 0 HD2 TYR A 97 8.122 -6.552 -6.926 1.00 74.52 H new ATOM 0 HE1 TYR A 97 7.332 -10.870 -4.635 1.00 54.24 H new ATOM 0 HE2 TYR A 97 9.009 -8.717 -7.890 1.00 1.23 H new ATOM 0 HH TYR A 97 9.203 -10.844 -7.630 1.00 60.45 H new ATOM 1533 N LEU A 98 9.320 -5.801 -2.889 1.00 52.20 N ATOM 1534 CA LEU A 98 10.675 -6.234 -2.590 1.00 32.23 C ATOM 1535 C LEU A 98 10.832 -6.393 -1.076 1.00 0.11 C ATOM 1536 O LEU A 98 11.598 -7.237 -0.613 1.00 31.23 O ATOM 1537 CB LEU A 98 11.694 -5.281 -3.218 1.00 12.22 C ATOM 1538 CG LEU A 98 12.123 -5.606 -4.649 1.00 61.35 C ATOM 1539 CD1 LEU A 98 13.279 -4.707 -5.092 1.00 55.52 C ATOM 1540 CD2 LEU A 98 12.463 -7.090 -4.796 1.00 14.05 C ATOM 0 H LEU A 98 9.236 -4.822 -3.164 1.00 52.20 H new ATOM 0 HA LEU A 98 10.870 -7.209 -3.036 1.00 32.23 H new ATOM 0 HB2 LEU A 98 11.276 -4.274 -3.205 1.00 12.22 H new ATOM 0 HB3 LEU A 98 12.583 -5.265 -2.588 1.00 12.22 H new ATOM 0 HG LEU A 98 11.283 -5.401 -5.312 1.00 61.35 H new ATOM 0 HD11 LEU A 98 13.565 -4.959 -6.113 1.00 55.52 H new ATOM 0 HD12 LEU A 98 12.966 -3.664 -5.050 1.00 55.52 H new ATOM 0 HD13 LEU A 98 14.131 -4.857 -4.429 1.00 55.52 H new ATOM 0 HD21 LEU A 98 12.765 -7.294 -5.823 1.00 14.05 H new ATOM 0 HD22 LEU A 98 13.279 -7.345 -4.120 1.00 14.05 H new ATOM 0 HD23 LEU A 98 11.587 -7.690 -4.549 1.00 14.05 H new ATOM 1552 N LYS A 99 10.095 -5.569 -0.347 1.00 42.13 N ATOM 1553 CA LYS A 99 10.142 -5.607 1.105 1.00 65.14 C ATOM 1554 C LYS A 99 9.197 -6.697 1.614 1.00 74.10 C ATOM 1555 O LYS A 99 9.265 -7.091 2.776 1.00 12.40 O ATOM 1556 CB LYS A 99 9.854 -4.222 1.686 1.00 53.10 C ATOM 1557 CG LYS A 99 9.807 -4.269 3.216 1.00 51.40 C ATOM 1558 CD LYS A 99 9.522 -2.883 3.798 1.00 53.31 C ATOM 1559 CE LYS A 99 9.634 -2.896 5.324 1.00 14.20 C ATOM 1560 NZ LYS A 99 8.451 -3.553 5.925 1.00 30.50 N1+ ATOM 0 H LYS A 99 9.461 -4.870 -0.735 1.00 42.13 H new ATOM 0 HA LYS A 99 11.143 -5.869 1.447 1.00 65.14 H new ATOM 0 HB2 LYS A 99 10.624 -3.521 1.363 1.00 53.10 H new ATOM 0 HB3 LYS A 99 8.904 -3.852 1.300 1.00 53.10 H new ATOM 0 HG2 LYS A 99 9.036 -4.968 3.538 1.00 51.40 H new ATOM 0 HG3 LYS A 99 10.756 -4.641 3.601 1.00 51.40 H new ATOM 0 HD2 LYS A 99 10.224 -2.159 3.384 1.00 53.31 H new ATOM 0 HD3 LYS A 99 8.523 -2.560 3.506 1.00 53.31 H new ATOM 0 HE2 LYS A 99 10.541 -3.422 5.624 1.00 14.20 H new ATOM 0 HE3 LYS A 99 9.719 -1.875 5.697 1.00 14.20 H new ATOM 0 HZ1 LYS A 99 8.543 -3.553 6.961 1.00 30.50 H new ATOM 0 HZ2 LYS A 99 7.591 -3.035 5.654 1.00 30.50 H new ATOM 0 HZ3 LYS A 99 8.387 -4.533 5.583 1.00 30.50 H new ATOM 1573 N LYS A 100 8.335 -7.154 0.716 1.00 45.50 N ATOM 1574 CA LYS A 100 7.376 -8.192 1.059 1.00 71.42 C ATOM 1575 C LYS A 100 7.798 -9.507 0.402 1.00 15.31 C ATOM 1576 O LYS A 100 7.299 -10.572 0.762 1.00 13.03 O ATOM 1577 CB LYS A 100 5.958 -7.750 0.697 1.00 23.01 C ATOM 1578 CG LYS A 100 4.916 -8.677 1.328 1.00 62.30 C ATOM 1579 CD LYS A 100 3.581 -8.588 0.587 1.00 21.42 C ATOM 1580 CE LYS A 100 2.415 -8.931 1.517 1.00 4.03 C ATOM 1581 NZ LYS A 100 2.242 -10.397 1.612 1.00 72.11 N1+ ATOM 0 H LYS A 100 8.281 -6.825 -0.248 1.00 45.50 H new ATOM 0 HA LYS A 100 7.367 -8.363 2.136 1.00 71.42 H new ATOM 0 HB2 LYS A 100 5.794 -6.728 1.038 1.00 23.01 H new ATOM 0 HB3 LYS A 100 5.839 -7.748 -0.387 1.00 23.01 H new ATOM 0 HG2 LYS A 100 5.279 -9.705 1.308 1.00 62.30 H new ATOM 0 HG3 LYS A 100 4.773 -8.410 2.375 1.00 62.30 H new ATOM 0 HD2 LYS A 100 3.449 -7.583 0.187 1.00 21.42 H new ATOM 0 HD3 LYS A 100 3.586 -9.271 -0.263 1.00 21.42 H new ATOM 0 HE2 LYS A 100 2.598 -8.516 2.508 1.00 4.03 H new ATOM 0 HE3 LYS A 100 1.498 -8.474 1.144 1.00 4.03 H new ATOM 0 HZ1 LYS A 100 1.447 -10.612 2.247 1.00 72.11 H new ATOM 0 HZ2 LYS A 100 2.046 -10.785 0.667 1.00 72.11 H new ATOM 0 HZ3 LYS A 100 3.112 -10.825 1.989 1.00 72.11 H new ATOM 1594 N ALA A 101 8.712 -9.390 -0.549 1.00 64.02 N ATOM 1595 CA ALA A 101 9.207 -10.557 -1.260 1.00 24.13 C ATOM 1596 C ALA A 101 10.209 -11.300 -0.376 1.00 72.45 C ATOM 1597 O ALA A 101 10.120 -12.516 -0.216 1.00 21.11 O ATOM 1598 CB ALA A 101 9.817 -10.122 -2.595 1.00 75.14 C ATOM 0 H ALA A 101 9.123 -8.505 -0.844 1.00 64.02 H new ATOM 0 HA ALA A 101 8.391 -11.245 -1.483 1.00 24.13 H new ATOM 0 HB1 ALA A 101 10.188 -10.997 -3.128 1.00 75.14 H new ATOM 0 HB2 ALA A 101 9.057 -9.626 -3.198 1.00 75.14 H new ATOM 0 HB3 ALA A 101 10.641 -9.433 -2.411 1.00 75.14 H new ATOM 1604 N THR A 102 11.142 -10.538 0.177 1.00 15.34 N ATOM 1605 CA THR A 102 12.161 -11.110 1.041 1.00 4.43 C ATOM 1606 C THR A 102 11.675 -11.138 2.491 1.00 51.23 C ATOM 1607 O THR A 102 12.475 -11.271 3.415 1.00 33.25 O ATOM 1608 CB THR A 102 13.449 -10.308 0.848 1.00 53.10 C ATOM 1609 OG1 THR A 102 13.162 -9.042 1.435 1.00 60.21 O ATOM 1610 CG2 THR A 102 13.722 -9.984 -0.623 1.00 73.13 C ATOM 0 H THR A 102 11.213 -9.529 0.043 1.00 15.34 H new ATOM 0 HA THR A 102 12.365 -12.148 0.779 1.00 4.43 H new ATOM 0 HB THR A 102 14.290 -10.867 1.259 1.00 53.10 H new ATOM 0 HG1 THR A 102 12.705 -8.474 0.780 1.00 60.21 H new ATOM 0 HG21 THR A 102 14.647 -9.414 -0.704 1.00 73.13 H new ATOM 0 HG22 THR A 102 13.816 -10.911 -1.188 1.00 73.13 H new ATOM 0 HG23 THR A 102 12.897 -9.396 -1.025 1.00 73.13 H new ATOM 1618 N ASN A 103 10.365 -11.011 2.646 1.00 70.44 N ATOM 1619 CA ASN A 103 9.763 -11.020 3.968 1.00 11.44 C ATOM 1620 C ASN A 103 9.010 -12.336 4.171 1.00 44.21 C ATOM 1621 O ASN A 103 9.061 -12.924 5.251 1.00 20.15 O ATOM 1622 CB ASN A 103 8.761 -9.873 4.125 1.00 54.20 C ATOM 1623 CG ASN A 103 8.029 -9.965 5.465 1.00 33.53 C ATOM 1624 OD1 ASN A 103 8.176 -10.914 6.219 1.00 4.43 O ATOM 1625 ND2 ASN A 103 7.232 -8.931 5.718 1.00 23.31 N ATOM 0 H ASN A 103 9.704 -10.901 1.877 1.00 70.44 H new ATOM 0 HA ASN A 103 10.560 -10.906 4.703 1.00 11.44 H new ATOM 0 HB2 ASN A 103 9.282 -8.918 4.056 1.00 54.20 H new ATOM 0 HB3 ASN A 103 8.039 -9.902 3.309 1.00 54.20 H new ATOM 0 HD21 ASN A 103 6.698 -8.899 6.586 1.00 23.31 H new ATOM 0 HD22 ASN A 103 7.155 -8.169 5.044 1.00 23.31 H new ATOM 1632 N GLU A 104 8.328 -12.760 3.117 1.00 23.13 N ATOM 1633 CA GLU A 104 7.566 -13.996 3.167 1.00 54.13 C ATOM 1634 C GLU A 104 8.506 -15.195 3.302 1.00 73.12 C ATOM 1635 O GLU A 104 9.390 -15.392 2.470 1.00 31.02 O ATOM 1636 CB GLU A 104 6.671 -14.138 1.934 1.00 64.13 C ATOM 1637 CG GLU A 104 5.595 -13.050 1.909 1.00 74.30 C ATOM 1638 CD GLU A 104 4.398 -13.443 2.777 1.00 30.24 C ATOM 1639 OE1 GLU A 104 3.601 -14.307 2.380 1.00 70.41 O ATOM 1640 OE2 GLU A 104 4.309 -12.816 3.901 1.00 71.21 O1- ATOM 0 H GLU A 104 8.287 -12.270 2.224 1.00 23.13 H new ATOM 0 HA GLU A 104 6.920 -13.966 4.044 1.00 54.13 H new ATOM 0 HB2 GLU A 104 7.278 -14.075 1.031 1.00 64.13 H new ATOM 0 HB3 GLU A 104 6.200 -15.121 1.934 1.00 64.13 H new ATOM 0 HG2 GLU A 104 6.015 -12.110 2.267 1.00 74.30 H new ATOM 0 HG3 GLU A 104 5.266 -12.883 0.883 1.00 74.30 H new