USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 721 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 53 THR OG1 : rot 180:sc= 0.0443 USER MOD Set 1.2: A 56 SER OG : rot 46:sc= 1.11 USER MOD Set 2.1: A 1 ALA N :NH3+ 176:sc= 0.652! (180deg=-0.905!) USER MOD Set 2.2: A 18 THR OG1 : rot -89:sc= 0.935 USER MOD Set 2.3: A 60 THR OG1 : rot 160:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -149:sc= 1.16 (180deg=0.979) USER MOD Single : A 29 SER OG : rot 65:sc= 1.32 USER MOD Single : A 33 LYS NZ :NH3+ 168:sc= -0.0291 (180deg=-0.2) USER MOD Single : A 34 TYR OH : rot 150:sc= -0.0247 USER MOD Single : A 39 LYS NZ :NH3+ -174:sc= 1.23 (180deg=1.06) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 139:sc= -2.41! USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.338 K(o=-0.34,f=-1.7) USER MOD Single : A 50 SER OG : rot 110:sc= 0.989 USER MOD Single : A 57 LYS NZ :NH3+ 174:sc= 0.865 (180deg=0.754) USER MOD Single : A 64 LYS NZ :NH3+ -171:sc= 0.915 (180deg=0.553) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0352 USER MOD Single : A 71 LYS NZ :NH3+ 154:sc= 1.95 (180deg=1.59) USER MOD Single : A 77 LYS NZ :NH3+ 146:sc= -0.119 (180deg=-1.59) USER MOD Single : A 78 THR OG1 : rot 74:sc= 1.29 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 87 HIS :FLIP no HD1:sc= -1.01 F(o=-2.1!,f=-1) USER MOD Single : A 88 HIS : no HD1:sc= -0.23 X(o=-0.23,f=-0.47) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.172 0.711 -8.546 1.00 72.31 N ATOM 2 CA ALA A 1 3.300 0.602 -9.735 1.00 73.32 C ATOM 3 C ALA A 1 3.723 -0.584 -10.588 1.00 40.34 C ATOM 4 O ALA A 1 4.755 -0.527 -11.257 1.00 11.14 O ATOM 5 CB ALA A 1 3.345 1.886 -10.547 1.00 12.04 C ATOM 0 H1 ALA A 1 3.918 1.563 -8.006 1.00 72.31 H new ATOM 0 H2 ALA A 1 4.047 -0.129 -7.946 1.00 72.31 H new ATOM 0 H3 ALA A 1 5.165 0.776 -8.848 1.00 72.31 H new ATOM 0 HA ALA A 1 2.274 0.443 -9.402 1.00 73.32 H new ATOM 0 HB1 ALA A 1 2.698 1.788 -11.418 1.00 12.04 H new ATOM 0 HB2 ALA A 1 3.002 2.718 -9.932 1.00 12.04 H new ATOM 0 HB3 ALA A 1 4.368 2.074 -10.874 1.00 12.04 H new ATOM 13 N GLY A 2 2.935 -1.656 -10.543 1.00 11.33 N ATOM 14 CA GLY A 2 3.252 -2.852 -11.305 1.00 1.41 C ATOM 15 C GLY A 2 4.532 -3.505 -10.829 1.00 63.52 C ATOM 16 O GLY A 2 4.541 -4.206 -9.818 1.00 44.41 O ATOM 0 H GLY A 2 2.080 -1.717 -9.990 1.00 11.33 H new ATOM 0 HA2 GLY A 2 2.430 -3.563 -11.222 1.00 1.41 H new ATOM 0 HA3 GLY A 2 3.347 -2.595 -12.360 1.00 1.41 H new ATOM 20 N GLU A 3 5.611 -3.274 -11.554 1.00 31.53 N ATOM 21 CA GLU A 3 6.920 -3.739 -11.144 1.00 44.20 C ATOM 22 C GLU A 3 7.959 -2.661 -11.403 1.00 51.20 C ATOM 23 O GLU A 3 7.952 -2.010 -12.448 1.00 71.30 O ATOM 24 CB GLU A 3 7.299 -5.027 -11.871 1.00 20.12 C ATOM 25 CG GLU A 3 8.593 -5.644 -11.366 1.00 73.33 C ATOM 26 CD GLU A 3 8.933 -6.938 -12.064 1.00 55.24 C ATOM 27 OE1 GLU A 3 9.420 -6.889 -13.214 1.00 52.40 O ATOM 28 OE2 GLU A 3 8.726 -8.011 -11.462 1.00 4.14 O ATOM 0 H GLU A 3 5.604 -2.763 -12.437 1.00 31.53 H new ATOM 0 HA GLU A 3 6.888 -3.954 -10.076 1.00 44.20 H new ATOM 0 HB2 GLU A 3 6.492 -5.751 -11.759 1.00 20.12 H new ATOM 0 HB3 GLU A 3 7.395 -4.820 -12.937 1.00 20.12 H new ATOM 0 HG2 GLU A 3 9.408 -4.935 -11.508 1.00 73.33 H new ATOM 0 HG3 GLU A 3 8.510 -5.825 -10.294 1.00 73.33 H new ATOM 35 N ILE A 4 8.841 -2.475 -10.440 1.00 31.35 N ATOM 36 CA ILE A 4 9.870 -1.452 -10.515 1.00 33.52 C ATOM 37 C ILE A 4 11.216 -2.098 -10.204 1.00 45.11 C ATOM 38 O ILE A 4 11.252 -3.229 -9.717 1.00 12.32 O ATOM 39 CB ILE A 4 9.580 -0.291 -9.524 1.00 51.03 C ATOM 40 CG1 ILE A 4 8.112 0.142 -9.625 1.00 45.22 C ATOM 41 CG2 ILE A 4 10.491 0.902 -9.786 1.00 43.01 C ATOM 42 CD1 ILE A 4 7.750 1.304 -8.724 1.00 0.55 C ATOM 0 H ILE A 4 8.866 -3.028 -9.583 1.00 31.35 H new ATOM 0 HA ILE A 4 9.884 -1.025 -11.518 1.00 33.52 H new ATOM 0 HB ILE A 4 9.779 -0.657 -8.517 1.00 51.03 H new ATOM 0 HG12 ILE A 4 7.894 0.415 -10.658 1.00 45.22 H new ATOM 0 HG13 ILE A 4 7.475 -0.708 -9.379 1.00 45.22 H new ATOM 0 HG21 ILE A 4 10.263 1.697 -9.076 1.00 43.01 H new ATOM 0 HG22 ILE A 4 11.531 0.598 -9.669 1.00 43.01 H new ATOM 0 HG23 ILE A 4 10.332 1.265 -10.801 1.00 43.01 H new ATOM 0 HD11 ILE A 4 6.696 1.550 -8.853 1.00 0.55 H new ATOM 0 HD12 ILE A 4 7.934 1.030 -7.685 1.00 0.55 H new ATOM 0 HD13 ILE A 4 8.359 2.170 -8.984 1.00 0.55 H new ATOM 54 N GLY A 5 12.308 -1.395 -10.493 1.00 43.31 N ATOM 55 CA GLY A 5 13.641 -1.942 -10.300 1.00 52.24 C ATOM 56 C GLY A 5 14.050 -2.009 -8.843 1.00 33.11 C ATOM 57 O GLY A 5 15.075 -1.451 -8.443 1.00 10.34 O ATOM 0 H GLY A 5 12.292 -0.444 -10.862 1.00 43.31 H new ATOM 0 HA2 GLY A 5 13.682 -2.943 -10.729 1.00 52.24 H new ATOM 0 HA3 GLY A 5 14.360 -1.331 -10.846 1.00 52.24 H new ATOM 61 N PHE A 6 13.233 -2.674 -8.054 1.00 43.33 N ATOM 62 CA PHE A 6 13.522 -2.913 -6.651 1.00 63.32 C ATOM 63 C PHE A 6 14.278 -4.222 -6.490 1.00 52.23 C ATOM 64 O PHE A 6 14.373 -5.013 -7.432 1.00 54.42 O ATOM 65 CB PHE A 6 12.224 -2.955 -5.833 1.00 73.22 C ATOM 66 CG PHE A 6 11.634 -1.603 -5.560 1.00 53.14 C ATOM 67 CD1 PHE A 6 12.211 -0.760 -4.624 1.00 51.21 C ATOM 68 CD2 PHE A 6 10.503 -1.176 -6.230 1.00 52.33 C ATOM 69 CE1 PHE A 6 11.671 0.484 -4.361 1.00 31.45 C ATOM 70 CE2 PHE A 6 9.957 0.067 -5.972 1.00 24.40 C ATOM 71 CZ PHE A 6 10.542 0.898 -5.037 1.00 24.14 C ATOM 0 H PHE A 6 12.345 -3.067 -8.367 1.00 43.33 H new ATOM 0 HA PHE A 6 14.140 -2.095 -6.281 1.00 63.32 H new ATOM 0 HB2 PHE A 6 11.490 -3.560 -6.365 1.00 73.22 H new ATOM 0 HB3 PHE A 6 12.420 -3.453 -4.884 1.00 73.22 H new ATOM 0 HD1 PHE A 6 13.095 -1.080 -4.093 1.00 51.21 H new ATOM 0 HD2 PHE A 6 10.041 -1.821 -6.963 1.00 52.33 H new ATOM 0 HE1 PHE A 6 12.131 1.130 -3.628 1.00 31.45 H new ATOM 0 HE2 PHE A 6 9.073 0.389 -6.502 1.00 24.40 H new ATOM 0 HZ PHE A 6 10.117 1.870 -4.835 1.00 24.14 H new ATOM 81 N ILE A 7 14.818 -4.445 -5.297 1.00 42.32 N ATOM 82 CA ILE A 7 15.492 -5.699 -4.985 1.00 22.15 C ATOM 83 C ILE A 7 14.513 -6.857 -5.114 1.00 63.11 C ATOM 84 O ILE A 7 14.853 -7.927 -5.625 1.00 62.41 O ATOM 85 CB ILE A 7 16.089 -5.683 -3.561 1.00 54.11 C ATOM 86 CG1 ILE A 7 17.091 -4.535 -3.425 1.00 5.41 C ATOM 87 CG2 ILE A 7 16.759 -7.015 -3.242 1.00 40.43 C ATOM 88 CD1 ILE A 7 17.663 -4.385 -2.034 1.00 13.55 C ATOM 0 H ILE A 7 14.802 -3.773 -4.530 1.00 42.32 H new ATOM 0 HA ILE A 7 16.310 -5.824 -5.694 1.00 22.15 H new ATOM 0 HB ILE A 7 15.279 -5.530 -2.847 1.00 54.11 H new ATOM 0 HG12 ILE A 7 17.908 -4.693 -4.129 1.00 5.41 H new ATOM 0 HG13 ILE A 7 16.602 -3.603 -3.709 1.00 5.41 H new ATOM 0 HG21 ILE A 7 17.173 -6.982 -2.234 1.00 40.43 H new ATOM 0 HG22 ILE A 7 16.023 -7.817 -3.306 1.00 40.43 H new ATOM 0 HG23 ILE A 7 17.560 -7.200 -3.957 1.00 40.43 H new ATOM 0 HD11 ILE A 7 18.365 -3.551 -2.017 1.00 13.55 H new ATOM 0 HD12 ILE A 7 16.855 -4.194 -1.327 1.00 13.55 H new ATOM 0 HD13 ILE A 7 18.182 -5.301 -1.753 1.00 13.55 H new ATOM 100 N ILE A 8 13.295 -6.630 -4.648 1.00 1.34 N ATOM 101 CA ILE A 8 12.237 -7.613 -4.768 1.00 15.15 C ATOM 102 C ILE A 8 11.339 -7.285 -5.952 1.00 40.20 C ATOM 103 O ILE A 8 10.789 -6.187 -6.051 1.00 23.50 O ATOM 104 CB ILE A 8 11.395 -7.697 -3.480 1.00 70.22 C ATOM 105 CG1 ILE A 8 12.278 -8.144 -2.319 1.00 10.24 C ATOM 106 CG2 ILE A 8 10.224 -8.655 -3.662 1.00 62.23 C ATOM 107 CD1 ILE A 8 11.566 -8.168 -0.984 1.00 21.15 C ATOM 0 H ILE A 8 13.016 -5.767 -4.181 1.00 1.34 H new ATOM 0 HA ILE A 8 12.707 -8.583 -4.930 1.00 15.15 H new ATOM 0 HB ILE A 8 10.989 -6.710 -3.259 1.00 70.22 H new ATOM 0 HG12 ILE A 8 12.665 -9.141 -2.532 1.00 10.24 H new ATOM 0 HG13 ILE A 8 13.137 -7.477 -2.250 1.00 10.24 H new ATOM 0 HG21 ILE A 8 9.643 -8.699 -2.741 1.00 62.23 H new ATOM 0 HG22 ILE A 8 9.589 -8.303 -4.475 1.00 62.23 H new ATOM 0 HG23 ILE A 8 10.601 -9.649 -3.901 1.00 62.23 H new ATOM 0 HD11 ILE A 8 12.258 -8.496 -0.208 1.00 21.15 H new ATOM 0 HD12 ILE A 8 11.203 -7.168 -0.747 1.00 21.15 H new ATOM 0 HD13 ILE A 8 10.723 -8.858 -1.033 1.00 21.15 H new ATOM 119 N LYS A 9 11.203 -8.244 -6.846 1.00 0.24 N ATOM 120 CA LYS A 9 10.375 -8.090 -8.028 1.00 62.13 C ATOM 121 C LYS A 9 9.039 -8.786 -7.813 1.00 14.41 C ATOM 122 O LYS A 9 8.781 -9.303 -6.726 1.00 10.43 O ATOM 123 CB LYS A 9 11.101 -8.666 -9.238 1.00 44.42 C ATOM 124 CG LYS A 9 12.296 -7.833 -9.679 1.00 52.55 C ATOM 125 CD LYS A 9 13.155 -8.567 -10.695 1.00 64.11 C ATOM 126 CE LYS A 9 13.829 -9.779 -10.074 1.00 70.02 C ATOM 127 NZ LYS A 9 14.804 -10.412 -11.002 1.00 14.44 N ATOM 0 H LYS A 9 11.663 -9.152 -6.775 1.00 0.24 H new ATOM 0 HA LYS A 9 10.185 -7.032 -8.210 1.00 62.13 H new ATOM 0 HB2 LYS A 9 11.438 -9.676 -9.003 1.00 44.42 H new ATOM 0 HB3 LYS A 9 10.399 -8.749 -10.068 1.00 44.42 H new ATOM 0 HG2 LYS A 9 11.945 -6.895 -10.110 1.00 52.55 H new ATOM 0 HG3 LYS A 9 12.901 -7.577 -8.809 1.00 52.55 H new ATOM 0 HD2 LYS A 9 12.538 -8.882 -11.536 1.00 64.11 H new ATOM 0 HD3 LYS A 9 13.912 -7.890 -11.091 1.00 64.11 H new ATOM 0 HE2 LYS A 9 14.341 -9.480 -9.159 1.00 70.02 H new ATOM 0 HE3 LYS A 9 13.071 -10.510 -9.791 1.00 70.02 H new ATOM 0 HZ1 LYS A 9 15.241 -11.234 -10.539 1.00 14.44 H new ATOM 0 HZ2 LYS A 9 14.312 -10.721 -11.865 1.00 14.44 H new ATOM 0 HZ3 LYS A 9 15.542 -9.724 -11.252 1.00 14.44 H new ATOM 141 N GLU A 10 8.191 -8.798 -8.833 1.00 53.42 N ATOM 142 CA GLU A 10 6.866 -9.374 -8.702 1.00 41.31 C ATOM 143 C GLU A 10 6.895 -10.893 -8.589 1.00 25.41 C ATOM 144 O GLU A 10 7.919 -11.545 -8.819 1.00 41.54 O ATOM 145 CB GLU A 10 6.000 -8.952 -9.879 1.00 12.52 C ATOM 146 CG GLU A 10 5.059 -7.813 -9.548 1.00 64.23 C ATOM 147 CD GLU A 10 3.934 -8.243 -8.622 1.00 23.52 C ATOM 148 OE1 GLU A 10 3.780 -9.461 -8.396 1.00 23.42 O ATOM 149 OE2 GLU A 10 3.194 -7.369 -8.126 1.00 1.23 O ATOM 0 H GLU A 10 8.399 -8.416 -9.756 1.00 53.42 H new ATOM 0 HA GLU A 10 6.439 -8.995 -7.773 1.00 41.31 H new ATOM 0 HB2 GLU A 10 6.643 -8.654 -10.707 1.00 12.52 H new ATOM 0 HB3 GLU A 10 5.418 -9.809 -10.219 1.00 12.52 H new ATOM 0 HG2 GLU A 10 5.621 -7.004 -9.081 1.00 64.23 H new ATOM 0 HG3 GLU A 10 4.635 -7.415 -10.470 1.00 64.23 H new ATOM 156 N GLY A 11 5.747 -11.440 -8.234 1.00 23.12 N ATOM 157 CA GLY A 11 5.615 -12.860 -8.044 1.00 51.05 C ATOM 158 C GLY A 11 4.212 -13.219 -7.627 1.00 10.13 C ATOM 159 O GLY A 11 3.294 -12.404 -7.741 1.00 61.00 O ATOM 0 H GLY A 11 4.890 -10.911 -8.072 1.00 23.12 H new ATOM 0 HA2 GLY A 11 5.868 -13.380 -8.968 1.00 51.05 H new ATOM 0 HA3 GLY A 11 6.321 -13.197 -7.285 1.00 51.05 H new ATOM 163 N ASP A 12 4.029 -14.422 -7.124 1.00 13.12 N ATOM 164 CA ASP A 12 2.708 -14.861 -6.717 1.00 71.02 C ATOM 165 C ASP A 12 2.474 -14.533 -5.248 1.00 41.32 C ATOM 166 O ASP A 12 1.338 -14.451 -4.787 1.00 13.43 O ATOM 167 CB ASP A 12 2.538 -16.358 -6.970 1.00 72.20 C ATOM 168 CG ASP A 12 1.094 -16.727 -7.228 1.00 44.15 C ATOM 169 OD1 ASP A 12 0.435 -16.025 -8.026 1.00 14.22 O ATOM 170 OD2 ASP A 12 0.610 -17.715 -6.641 1.00 52.01 O ATOM 0 H ASP A 12 4.770 -15.109 -6.987 1.00 13.12 H new ATOM 0 HA ASP A 12 1.965 -14.330 -7.313 1.00 71.02 H new ATOM 0 HB2 ASP A 12 3.146 -16.653 -7.825 1.00 72.20 H new ATOM 0 HB3 ASP A 12 2.907 -16.916 -6.109 1.00 72.20 H new ATOM 175 N GLU A 13 3.565 -14.318 -4.529 1.00 11.24 N ATOM 176 CA GLU A 13 3.510 -13.959 -3.116 1.00 45.13 C ATOM 177 C GLU A 13 3.977 -12.522 -2.898 1.00 52.21 C ATOM 178 O GLU A 13 4.095 -12.056 -1.764 1.00 41.05 O ATOM 179 CB GLU A 13 4.357 -14.930 -2.277 1.00 63.15 C ATOM 180 CG GLU A 13 5.441 -15.673 -3.055 1.00 24.30 C ATOM 181 CD GLU A 13 6.478 -14.756 -3.669 1.00 31.42 C ATOM 182 OE1 GLU A 13 6.270 -14.311 -4.822 1.00 30.32 O ATOM 183 OE2 GLU A 13 7.503 -14.489 -3.014 1.00 50.52 O ATOM 0 H GLU A 13 4.511 -14.386 -4.904 1.00 11.24 H new ATOM 0 HA GLU A 13 2.472 -14.033 -2.791 1.00 45.13 H new ATOM 0 HB2 GLU A 13 4.828 -14.372 -1.468 1.00 63.15 H new ATOM 0 HB3 GLU A 13 3.694 -15.662 -1.816 1.00 63.15 H new ATOM 0 HG2 GLU A 13 5.939 -16.377 -2.388 1.00 24.30 H new ATOM 0 HG3 GLU A 13 4.973 -16.260 -3.845 1.00 24.30 H new ATOM 190 N VAL A 14 4.234 -11.823 -3.991 1.00 51.11 N ATOM 191 CA VAL A 14 4.674 -10.436 -3.926 1.00 2.12 C ATOM 192 C VAL A 14 3.547 -9.495 -4.341 1.00 32.13 C ATOM 193 O VAL A 14 2.781 -9.800 -5.251 1.00 4.41 O ATOM 194 CB VAL A 14 5.899 -10.193 -4.838 1.00 63.35 C ATOM 195 CG1 VAL A 14 6.401 -8.766 -4.706 1.00 20.05 C ATOM 196 CG2 VAL A 14 7.010 -11.178 -4.521 1.00 71.31 C ATOM 0 H VAL A 14 4.146 -12.193 -4.937 1.00 51.11 H new ATOM 0 HA VAL A 14 4.957 -10.233 -2.893 1.00 2.12 H new ATOM 0 HB VAL A 14 5.584 -10.349 -5.870 1.00 63.35 H new ATOM 0 HG11 VAL A 14 7.263 -8.622 -5.358 1.00 20.05 H new ATOM 0 HG12 VAL A 14 5.609 -8.074 -4.993 1.00 20.05 H new ATOM 0 HG13 VAL A 14 6.692 -8.577 -3.673 1.00 20.05 H new ATOM 0 HG21 VAL A 14 7.862 -10.989 -5.174 1.00 71.31 H new ATOM 0 HG22 VAL A 14 7.316 -11.059 -3.482 1.00 71.31 H new ATOM 0 HG23 VAL A 14 6.651 -12.195 -4.679 1.00 71.31 H new ATOM 206 N ALA A 15 3.439 -8.366 -3.659 1.00 13.15 N ATOM 207 CA ALA A 15 2.456 -7.350 -3.996 1.00 2.22 C ATOM 208 C ALA A 15 3.122 -5.980 -4.060 1.00 30.02 C ATOM 209 O ALA A 15 4.137 -5.743 -3.400 1.00 24.22 O ATOM 210 CB ALA A 15 1.322 -7.347 -2.984 1.00 44.31 C ATOM 0 H ALA A 15 4.027 -8.129 -2.860 1.00 13.15 H new ATOM 0 HA ALA A 15 2.036 -7.580 -4.975 1.00 2.22 H new ATOM 0 HB1 ALA A 15 0.596 -6.580 -3.253 1.00 44.31 H new ATOM 0 HB2 ALA A 15 0.835 -8.322 -2.980 1.00 44.31 H new ATOM 0 HB3 ALA A 15 1.721 -7.137 -1.991 1.00 44.31 H new ATOM 216 N ASP A 16 2.555 -5.087 -4.854 1.00 20.21 N ATOM 217 CA ASP A 16 3.104 -3.747 -5.007 1.00 64.32 C ATOM 218 C ASP A 16 2.069 -2.704 -4.642 1.00 60.21 C ATOM 219 O ASP A 16 0.894 -2.826 -4.989 1.00 1.22 O ATOM 220 CB ASP A 16 3.581 -3.517 -6.439 1.00 40.21 C ATOM 221 CG ASP A 16 4.193 -2.144 -6.654 1.00 5.33 C ATOM 222 OD1 ASP A 16 3.437 -1.181 -6.899 1.00 14.11 O ATOM 223 OD2 ASP A 16 5.436 -2.027 -6.603 1.00 13.21 O ATOM 0 H ASP A 16 1.714 -5.264 -5.404 1.00 20.21 H new ATOM 0 HA ASP A 16 3.956 -3.655 -4.333 1.00 64.32 H new ATOM 0 HB2 ASP A 16 4.316 -4.279 -6.697 1.00 40.21 H new ATOM 0 HB3 ASP A 16 2.739 -3.643 -7.120 1.00 40.21 H new ATOM 228 N VAL A 17 2.513 -1.688 -3.935 1.00 32.03 N ATOM 229 CA VAL A 17 1.642 -0.603 -3.514 1.00 41.41 C ATOM 230 C VAL A 17 2.312 0.731 -3.780 1.00 52.21 C ATOM 231 O VAL A 17 3.497 0.910 -3.510 1.00 42.03 O ATOM 232 CB VAL A 17 1.289 -0.679 -2.013 1.00 33.14 C ATOM 233 CG1 VAL A 17 0.205 0.331 -1.662 1.00 22.02 C ATOM 234 CG2 VAL A 17 0.863 -2.083 -1.609 1.00 34.24 C ATOM 0 H VAL A 17 3.483 -1.587 -3.635 1.00 32.03 H new ATOM 0 HA VAL A 17 0.721 -0.698 -4.089 1.00 41.41 H new ATOM 0 HB VAL A 17 2.190 -0.431 -1.451 1.00 33.14 H new ATOM 0 HG11 VAL A 17 -0.028 0.260 -0.600 1.00 22.02 H new ATOM 0 HG12 VAL A 17 0.557 1.337 -1.890 1.00 22.02 H new ATOM 0 HG13 VAL A 17 -0.691 0.120 -2.245 1.00 22.02 H new ATOM 0 HG21 VAL A 17 0.622 -2.098 -0.546 1.00 34.24 H new ATOM 0 HG22 VAL A 17 -0.015 -2.376 -2.184 1.00 34.24 H new ATOM 0 HG23 VAL A 17 1.676 -2.781 -1.807 1.00 34.24 H new ATOM 244 N THR A 18 1.554 1.653 -4.326 1.00 63.31 N ATOM 245 CA THR A 18 2.043 2.987 -4.590 1.00 32.00 C ATOM 246 C THR A 18 1.024 4.018 -4.119 1.00 1.14 C ATOM 247 O THR A 18 -0.101 4.067 -4.617 1.00 62.41 O ATOM 248 CB THR A 18 2.333 3.174 -6.086 1.00 62.22 C ATOM 249 OG1 THR A 18 3.232 2.147 -6.521 1.00 74.21 O ATOM 250 CG2 THR A 18 2.945 4.543 -6.367 1.00 24.31 C ATOM 0 H THR A 18 0.583 1.501 -4.599 1.00 63.31 H new ATOM 0 HA THR A 18 2.974 3.129 -4.041 1.00 32.00 H new ATOM 0 HB THR A 18 1.392 3.108 -6.631 1.00 62.22 H new ATOM 0 HG1 THR A 18 4.157 2.449 -6.400 1.00 74.21 H new ATOM 0 HG21 THR A 18 3.138 4.643 -7.435 1.00 24.31 H new ATOM 0 HG22 THR A 18 2.253 5.323 -6.049 1.00 24.31 H new ATOM 0 HG23 THR A 18 3.881 4.642 -5.818 1.00 24.31 H new ATOM 258 N ILE A 19 1.416 4.820 -3.146 1.00 12.35 N ATOM 259 CA ILE A 19 0.520 5.806 -2.569 1.00 32.13 C ATOM 260 C ILE A 19 0.816 7.179 -3.157 1.00 30.25 C ATOM 261 O ILE A 19 1.978 7.539 -3.365 1.00 40.11 O ATOM 262 CB ILE A 19 0.661 5.865 -1.033 1.00 33.22 C ATOM 263 CG1 ILE A 19 0.730 4.449 -0.447 1.00 71.23 C ATOM 264 CG2 ILE A 19 -0.500 6.641 -0.422 1.00 22.22 C ATOM 265 CD1 ILE A 19 1.097 4.410 1.021 1.00 74.10 C ATOM 0 H ILE A 19 2.351 4.808 -2.738 1.00 12.35 H new ATOM 0 HA ILE A 19 -0.502 5.511 -2.808 1.00 32.13 H new ATOM 0 HB ILE A 19 1.588 6.384 -0.789 1.00 33.22 H new ATOM 0 HG12 ILE A 19 -0.236 3.963 -0.583 1.00 71.23 H new ATOM 0 HG13 ILE A 19 1.461 3.869 -1.010 1.00 71.23 H new ATOM 0 HG21 ILE A 19 -0.386 6.673 0.662 1.00 22.22 H new ATOM 0 HG22 ILE A 19 -0.506 7.657 -0.817 1.00 22.22 H new ATOM 0 HG23 ILE A 19 -1.439 6.148 -0.673 1.00 22.22 H new ATOM 0 HD11 ILE A 19 1.125 3.375 1.362 1.00 74.10 H new ATOM 0 HD12 ILE A 19 2.077 4.866 1.163 1.00 74.10 H new ATOM 0 HD13 ILE A 19 0.353 4.961 1.597 1.00 74.10 H new ATOM 277 N PHE A 20 -0.235 7.931 -3.429 1.00 12.35 N ATOM 278 CA PHE A 20 -0.100 9.260 -3.998 1.00 42.21 C ATOM 279 C PHE A 20 -0.705 10.290 -3.057 1.00 73.32 C ATOM 280 O PHE A 20 -1.825 10.116 -2.570 1.00 23.31 O ATOM 281 CB PHE A 20 -0.801 9.347 -5.352 1.00 30.14 C ATOM 282 CG PHE A 20 -0.464 8.230 -6.297 1.00 22.22 C ATOM 283 CD1 PHE A 20 0.715 8.248 -7.020 1.00 34.52 C ATOM 284 CD2 PHE A 20 -1.331 7.162 -6.465 1.00 35.35 C ATOM 285 CE1 PHE A 20 1.025 7.222 -7.893 1.00 11.14 C ATOM 286 CE2 PHE A 20 -1.029 6.134 -7.336 1.00 61.15 C ATOM 287 CZ PHE A 20 0.151 6.165 -8.050 1.00 34.24 C ATOM 0 H PHE A 20 -1.199 7.641 -3.263 1.00 12.35 H new ATOM 0 HA PHE A 20 0.962 9.462 -4.137 1.00 42.21 H new ATOM 0 HB2 PHE A 20 -1.879 9.357 -5.190 1.00 30.14 H new ATOM 0 HB3 PHE A 20 -0.541 10.295 -5.822 1.00 30.14 H new ATOM 0 HD1 PHE A 20 1.401 9.073 -6.901 1.00 34.52 H new ATOM 0 HD2 PHE A 20 -2.255 7.133 -5.907 1.00 35.35 H new ATOM 0 HE1 PHE A 20 1.949 7.247 -8.451 1.00 11.14 H new ATOM 0 HE2 PHE A 20 -1.714 5.308 -7.458 1.00 61.15 H new ATOM 0 HZ PHE A 20 0.391 5.362 -8.732 1.00 34.24 H new ATOM 297 N ALA A 21 0.032 11.358 -2.814 1.00 61.51 N ATOM 298 CA ALA A 21 -0.426 12.430 -1.939 1.00 51.51 C ATOM 299 C ALA A 21 0.466 13.654 -2.084 1.00 32.43 C ATOM 300 O ALA A 21 1.600 13.549 -2.547 1.00 2.45 O ATOM 301 CB ALA A 21 -0.467 11.971 -0.488 1.00 63.40 C ATOM 0 H ALA A 21 0.959 11.510 -3.212 1.00 61.51 H new ATOM 0 HA ALA A 21 -1.439 12.700 -2.238 1.00 51.51 H new ATOM 0 HB1 ALA A 21 -0.812 12.790 0.143 1.00 63.40 H new ATOM 0 HB2 ALA A 21 -1.150 11.127 -0.393 1.00 63.40 H new ATOM 0 HB3 ALA A 21 0.532 11.667 -0.174 1.00 63.40 H new ATOM 307 N GLU A 22 -0.058 14.808 -1.695 1.00 50.14 N ATOM 308 CA GLU A 22 0.670 16.066 -1.786 1.00 1.14 C ATOM 309 C GLU A 22 1.886 16.097 -0.872 1.00 14.03 C ATOM 310 O GLU A 22 2.996 16.401 -1.313 1.00 32.41 O ATOM 311 CB GLU A 22 -0.255 17.230 -1.436 1.00 1.31 C ATOM 312 CG GLU A 22 -1.242 17.564 -2.532 1.00 52.31 C ATOM 313 CD GLU A 22 -0.542 17.927 -3.819 1.00 2.14 C ATOM 314 OE1 GLU A 22 0.109 18.992 -3.865 1.00 51.13 O ATOM 315 OE2 GLU A 22 -0.626 17.140 -4.784 1.00 70.12 O ATOM 0 H GLU A 22 -0.998 14.899 -1.308 1.00 50.14 H new ATOM 0 HA GLU A 22 1.023 16.160 -2.813 1.00 1.14 H new ATOM 0 HB2 GLU A 22 -0.803 16.988 -0.525 1.00 1.31 H new ATOM 0 HB3 GLU A 22 0.349 18.112 -1.220 1.00 1.31 H new ATOM 0 HG2 GLU A 22 -1.899 16.711 -2.703 1.00 52.31 H new ATOM 0 HG3 GLU A 22 -1.873 18.394 -2.214 1.00 52.31 H new ATOM 322 N THR A 23 1.681 15.780 0.393 1.00 24.24 N ATOM 323 CA THR A 23 2.715 15.973 1.385 1.00 3.11 C ATOM 324 C THR A 23 3.408 14.672 1.761 1.00 43.51 C ATOM 325 O THR A 23 2.781 13.614 1.837 1.00 23.30 O ATOM 326 CB THR A 23 2.139 16.625 2.651 1.00 40.52 C ATOM 327 OG1 THR A 23 0.964 15.918 3.068 1.00 62.41 O ATOM 328 CG2 THR A 23 1.797 18.086 2.403 1.00 4.14 C ATOM 0 H THR A 23 0.811 15.389 0.754 1.00 24.24 H new ATOM 0 HA THR A 23 3.457 16.633 0.935 1.00 3.11 H new ATOM 0 HB THR A 23 2.894 16.577 3.436 1.00 40.52 H new ATOM 0 HG1 THR A 23 0.601 16.336 3.877 1.00 62.41 H new ATOM 0 HG21 THR A 23 1.391 18.524 3.315 1.00 4.14 H new ATOM 0 HG22 THR A 23 2.698 18.626 2.110 1.00 4.14 H new ATOM 0 HG23 THR A 23 1.057 18.156 1.606 1.00 4.14 H new ATOM 336 N LYS A 24 4.708 14.779 1.997 1.00 13.32 N ATOM 337 CA LYS A 24 5.530 13.662 2.452 1.00 62.31 C ATOM 338 C LYS A 24 4.942 13.038 3.711 1.00 32.50 C ATOM 339 O LYS A 24 4.985 11.821 3.900 1.00 45.22 O ATOM 340 CB LYS A 24 6.943 14.175 2.725 1.00 13.20 C ATOM 341 CG LYS A 24 7.942 13.108 3.146 1.00 12.13 C ATOM 342 CD LYS A 24 9.353 13.671 3.158 1.00 60.13 C ATOM 343 CE LYS A 24 10.351 12.700 3.765 1.00 62.13 C ATOM 344 NZ LYS A 24 10.182 12.571 5.237 1.00 52.33 N ATOM 0 H LYS A 24 5.227 15.649 1.878 1.00 13.32 H new ATOM 0 HA LYS A 24 5.557 12.893 1.680 1.00 62.31 H new ATOM 0 HB2 LYS A 24 7.315 14.666 1.826 1.00 13.20 H new ATOM 0 HB3 LYS A 24 6.894 14.934 3.506 1.00 13.20 H new ATOM 0 HG2 LYS A 24 7.686 12.733 4.137 1.00 12.13 H new ATOM 0 HG3 LYS A 24 7.888 12.262 2.461 1.00 12.13 H new ATOM 0 HD2 LYS A 24 9.656 13.911 2.139 1.00 60.13 H new ATOM 0 HD3 LYS A 24 9.366 14.603 3.722 1.00 60.13 H new ATOM 0 HE2 LYS A 24 10.233 11.721 3.300 1.00 62.13 H new ATOM 0 HE3 LYS A 24 11.364 13.037 3.545 1.00 62.13 H new ATOM 0 HZ1 LYS A 24 11.103 12.370 5.676 1.00 52.33 H new ATOM 0 HZ2 LYS A 24 9.802 13.459 5.622 1.00 52.33 H new ATOM 0 HZ3 LYS A 24 9.523 11.794 5.444 1.00 52.33 H new ATOM 358 N ASP A 25 4.390 13.888 4.565 1.00 13.14 N ATOM 359 CA ASP A 25 3.716 13.437 5.778 1.00 70.11 C ATOM 360 C ASP A 25 2.585 12.474 5.450 1.00 1.52 C ATOM 361 O ASP A 25 2.459 11.420 6.070 1.00 11.41 O ATOM 362 CB ASP A 25 3.157 14.627 6.553 1.00 53.24 C ATOM 363 CG ASP A 25 2.388 14.199 7.786 1.00 0.24 C ATOM 364 OD1 ASP A 25 3.028 13.821 8.790 1.00 60.51 O ATOM 365 OD2 ASP A 25 1.138 14.243 7.762 1.00 50.13 O ATOM 0 H ASP A 25 4.395 14.900 4.440 1.00 13.14 H new ATOM 0 HA ASP A 25 4.453 12.919 6.391 1.00 70.11 H new ATOM 0 HB2 ASP A 25 3.976 15.283 6.848 1.00 53.24 H new ATOM 0 HB3 ASP A 25 2.502 15.207 5.902 1.00 53.24 H new ATOM 370 N ALA A 26 1.763 12.839 4.472 1.00 33.42 N ATOM 371 CA ALA A 26 0.653 11.991 4.055 1.00 11.43 C ATOM 372 C ALA A 26 1.166 10.671 3.492 1.00 64.34 C ATOM 373 O ALA A 26 0.570 9.615 3.724 1.00 23.15 O ATOM 374 CB ALA A 26 -0.216 12.711 3.036 1.00 63.42 C ATOM 0 H ALA A 26 1.844 13.714 3.955 1.00 33.42 H new ATOM 0 HA ALA A 26 0.041 11.771 4.930 1.00 11.43 H new ATOM 0 HB1 ALA A 26 -1.039 12.062 2.737 1.00 63.42 H new ATOM 0 HB2 ALA A 26 -0.616 13.623 3.479 1.00 63.42 H new ATOM 0 HB3 ALA A 26 0.383 12.964 2.161 1.00 63.42 H new ATOM 380 N LEU A 27 2.275 10.737 2.760 1.00 32.05 N ATOM 381 CA LEU A 27 2.940 9.539 2.259 1.00 44.14 C ATOM 382 C LEU A 27 3.323 8.624 3.416 1.00 71.12 C ATOM 383 O LEU A 27 2.943 7.454 3.447 1.00 21.33 O ATOM 384 CB LEU A 27 4.197 9.910 1.457 1.00 52.20 C ATOM 385 CG LEU A 27 3.995 10.162 -0.041 1.00 65.53 C ATOM 386 CD1 LEU A 27 3.129 11.381 -0.277 1.00 11.13 C ATOM 387 CD2 LEU A 27 5.336 10.326 -0.740 1.00 13.40 C ATOM 0 H LEU A 27 2.733 11.611 2.500 1.00 32.05 H new ATOM 0 HA LEU A 27 2.245 9.016 1.602 1.00 44.14 H new ATOM 0 HB2 LEU A 27 4.633 10.806 1.899 1.00 52.20 H new ATOM 0 HB3 LEU A 27 4.927 9.109 1.574 1.00 52.20 H new ATOM 0 HG LEU A 27 3.484 9.295 -0.460 1.00 65.53 H new ATOM 0 HD11 LEU A 27 3.003 11.536 -1.349 1.00 11.13 H new ATOM 0 HD12 LEU A 27 2.154 11.229 0.185 1.00 11.13 H new ATOM 0 HD13 LEU A 27 3.606 12.257 0.162 1.00 11.13 H new ATOM 0 HD21 LEU A 27 5.173 10.504 -1.803 1.00 13.40 H new ATOM 0 HD22 LEU A 27 5.870 11.172 -0.308 1.00 13.40 H new ATOM 0 HD23 LEU A 27 5.927 9.419 -0.611 1.00 13.40 H new ATOM 399 N GLU A 28 4.058 9.177 4.371 1.00 64.50 N ATOM 400 CA GLU A 28 4.525 8.431 5.527 1.00 32.20 C ATOM 401 C GLU A 28 3.369 7.894 6.372 1.00 71.50 C ATOM 402 O GLU A 28 3.417 6.760 6.851 1.00 63.40 O ATOM 403 CB GLU A 28 5.429 9.325 6.369 1.00 13.23 C ATOM 404 CG GLU A 28 6.807 9.522 5.762 1.00 33.13 C ATOM 405 CD GLU A 28 7.702 10.402 6.608 1.00 71.31 C ATOM 406 OE1 GLU A 28 8.155 9.947 7.680 1.00 61.13 O ATOM 407 OE2 GLU A 28 7.968 11.549 6.197 1.00 33.21 O ATOM 0 H GLU A 28 4.346 10.155 4.364 1.00 64.50 H new ATOM 0 HA GLU A 28 5.085 7.566 5.170 1.00 32.20 H new ATOM 0 HB2 GLU A 28 4.952 10.297 6.495 1.00 13.23 H new ATOM 0 HB3 GLU A 28 5.535 8.890 7.363 1.00 13.23 H new ATOM 0 HG2 GLU A 28 7.282 8.550 5.629 1.00 33.13 H new ATOM 0 HG3 GLU A 28 6.702 9.964 4.771 1.00 33.13 H new ATOM 414 N SER A 29 2.330 8.700 6.538 1.00 25.40 N ATOM 415 CA SER A 29 1.199 8.329 7.375 1.00 72.12 C ATOM 416 C SER A 29 0.417 7.159 6.779 1.00 1.12 C ATOM 417 O SER A 29 0.082 6.203 7.481 1.00 41.53 O ATOM 418 CB SER A 29 0.288 9.539 7.569 1.00 70.41 C ATOM 419 OG SER A 29 0.999 10.615 8.162 1.00 5.34 O ATOM 0 H SER A 29 2.247 9.618 6.102 1.00 25.40 H new ATOM 0 HA SER A 29 1.581 8.004 8.343 1.00 72.12 H new ATOM 0 HB2 SER A 29 -0.118 9.852 6.607 1.00 70.41 H new ATOM 0 HB3 SER A 29 -0.558 9.265 8.199 1.00 70.41 H new ATOM 0 HG SER A 29 1.694 10.927 7.546 1.00 5.34 H new ATOM 425 N GLU A 30 0.130 7.231 5.485 1.00 50.03 N ATOM 426 CA GLU A 30 -0.623 6.174 4.823 1.00 64.13 C ATOM 427 C GLU A 30 0.235 4.918 4.698 1.00 72.34 C ATOM 428 O GLU A 30 -0.259 3.799 4.840 1.00 2.25 O ATOM 429 CB GLU A 30 -1.086 6.633 3.440 1.00 43.41 C ATOM 430 CG GLU A 30 -2.574 6.431 3.196 1.00 54.13 C ATOM 431 CD GLU A 30 -3.436 7.360 4.029 1.00 31.24 C ATOM 432 OE1 GLU A 30 -3.780 7.004 5.175 1.00 61.22 O ATOM 433 OE2 GLU A 30 -3.775 8.458 3.539 1.00 62.12 O ATOM 0 H GLU A 30 0.405 8.003 4.878 1.00 50.03 H new ATOM 0 HA GLU A 30 -1.502 5.944 5.425 1.00 64.13 H new ATOM 0 HB2 GLU A 30 -0.847 7.689 3.318 1.00 43.41 H new ATOM 0 HB3 GLU A 30 -0.525 6.090 2.680 1.00 43.41 H new ATOM 0 HG2 GLU A 30 -2.790 6.592 2.140 1.00 54.13 H new ATOM 0 HG3 GLU A 30 -2.838 5.398 3.422 1.00 54.13 H new ATOM 440 N LEU A 31 1.528 5.119 4.449 1.00 12.45 N ATOM 441 CA LEU A 31 2.475 4.013 4.320 1.00 42.35 C ATOM 442 C LEU A 31 2.485 3.173 5.581 1.00 40.13 C ATOM 443 O LEU A 31 2.433 1.945 5.527 1.00 14.23 O ATOM 444 CB LEU A 31 3.885 4.541 4.075 1.00 0.02 C ATOM 445 CG LEU A 31 4.910 3.475 3.684 1.00 54.42 C ATOM 446 CD1 LEU A 31 4.621 2.933 2.294 1.00 44.25 C ATOM 447 CD2 LEU A 31 6.322 4.034 3.765 1.00 54.10 C ATOM 0 H LEU A 31 1.945 6.042 4.332 1.00 12.45 H new ATOM 0 HA LEU A 31 2.160 3.402 3.474 1.00 42.35 H new ATOM 0 HB2 LEU A 31 3.845 5.293 3.287 1.00 0.02 H new ATOM 0 HB3 LEU A 31 4.231 5.044 4.978 1.00 0.02 H new ATOM 0 HG LEU A 31 4.830 2.649 4.391 1.00 54.42 H new ATOM 0 HD11 LEU A 31 5.362 2.176 2.037 1.00 44.25 H new ATOM 0 HD12 LEU A 31 3.627 2.487 2.277 1.00 44.25 H new ATOM 0 HD13 LEU A 31 4.666 3.746 1.570 1.00 44.25 H new ATOM 0 HD21 LEU A 31 7.036 3.260 3.483 1.00 54.10 H new ATOM 0 HD22 LEU A 31 6.418 4.881 3.086 1.00 54.10 H new ATOM 0 HD23 LEU A 31 6.526 4.362 4.784 1.00 54.10 H new ATOM 459 N ALA A 32 2.559 3.856 6.714 1.00 23.14 N ATOM 460 CA ALA A 32 2.570 3.203 8.018 1.00 41.11 C ATOM 461 C ALA A 32 1.370 2.278 8.189 1.00 2.42 C ATOM 462 O ALA A 32 1.489 1.201 8.766 1.00 71.41 O ATOM 463 CB ALA A 32 2.595 4.237 9.129 1.00 22.23 C ATOM 0 H ALA A 32 2.613 4.874 6.757 1.00 23.14 H new ATOM 0 HA ALA A 32 3.474 2.596 8.076 1.00 41.11 H new ATOM 0 HB1 ALA A 32 2.603 3.733 10.095 1.00 22.23 H new ATOM 0 HB2 ALA A 32 3.490 4.852 9.033 1.00 22.23 H new ATOM 0 HB3 ALA A 32 1.710 4.870 9.057 1.00 22.23 H new ATOM 469 N LYS A 33 0.224 2.697 7.671 1.00 4.43 N ATOM 470 CA LYS A 33 -0.998 1.916 7.767 1.00 3.42 C ATOM 471 C LYS A 33 -0.907 0.647 6.924 1.00 30.21 C ATOM 472 O LYS A 33 -1.440 -0.398 7.299 1.00 44.52 O ATOM 473 CB LYS A 33 -2.180 2.775 7.323 1.00 70.11 C ATOM 474 CG LYS A 33 -2.546 3.860 8.324 1.00 52.14 C ATOM 475 CD LYS A 33 -3.715 4.702 7.845 1.00 63.05 C ATOM 476 CE LYS A 33 -4.108 5.749 8.877 1.00 55.34 C ATOM 477 NZ LYS A 33 -2.990 6.680 9.183 1.00 24.51 N ATOM 0 H LYS A 33 0.117 3.582 7.176 1.00 4.43 H new ATOM 0 HA LYS A 33 -1.142 1.610 8.803 1.00 3.42 H new ATOM 0 HB2 LYS A 33 -1.943 3.239 6.365 1.00 70.11 H new ATOM 0 HB3 LYS A 33 -3.046 2.133 7.161 1.00 70.11 H new ATOM 0 HG2 LYS A 33 -2.797 3.402 9.281 1.00 52.14 H new ATOM 0 HG3 LYS A 33 -1.682 4.502 8.495 1.00 52.14 H new ATOM 0 HD2 LYS A 33 -3.451 5.194 6.909 1.00 63.05 H new ATOM 0 HD3 LYS A 33 -4.568 4.057 7.637 1.00 63.05 H new ATOM 0 HE2 LYS A 33 -4.962 6.317 8.509 1.00 55.34 H new ATOM 0 HE3 LYS A 33 -4.427 5.252 9.793 1.00 55.34 H new ATOM 0 HZ1 LYS A 33 -3.351 7.490 9.727 1.00 24.51 H new ATOM 0 HZ2 LYS A 33 -2.267 6.183 9.741 1.00 24.51 H new ATOM 0 HZ3 LYS A 33 -2.568 7.020 8.295 1.00 24.51 H new ATOM 491 N TYR A 34 -0.217 0.740 5.796 1.00 13.24 N ATOM 492 CA TYR A 34 -0.011 -0.415 4.930 1.00 15.22 C ATOM 493 C TYR A 34 1.035 -1.350 5.522 1.00 64.12 C ATOM 494 O TYR A 34 0.909 -2.570 5.443 1.00 52.41 O ATOM 495 CB TYR A 34 0.403 0.027 3.526 1.00 42.13 C ATOM 496 CG TYR A 34 -0.757 0.512 2.686 1.00 71.31 C ATOM 497 CD1 TYR A 34 -1.167 1.838 2.722 1.00 62.52 C ATOM 498 CD2 TYR A 34 -1.445 -0.363 1.857 1.00 31.22 C ATOM 499 CE1 TYR A 34 -2.228 2.278 1.955 1.00 24.11 C ATOM 500 CE2 TYR A 34 -2.505 0.068 1.087 1.00 53.12 C ATOM 501 CZ TYR A 34 -2.893 1.388 1.140 1.00 53.34 C ATOM 502 OH TYR A 34 -3.952 1.819 0.374 1.00 15.12 O ATOM 0 H TYR A 34 0.210 1.603 5.458 1.00 13.24 H new ATOM 0 HA TYR A 34 -0.955 -0.955 4.856 1.00 15.22 H new ATOM 0 HB2 TYR A 34 1.143 0.824 3.607 1.00 42.13 H new ATOM 0 HB3 TYR A 34 0.887 -0.807 3.018 1.00 42.13 H new ATOM 0 HD1 TYR A 34 -0.648 2.537 3.361 1.00 62.52 H new ATOM 0 HD2 TYR A 34 -1.145 -1.400 1.814 1.00 31.22 H new ATOM 0 HE1 TYR A 34 -2.534 3.313 1.994 1.00 24.11 H new ATOM 0 HE2 TYR A 34 -3.028 -0.626 0.446 1.00 53.12 H new ATOM 0 HH TYR A 34 -4.005 1.281 -0.444 1.00 15.12 H new ATOM 512 N ILE A 35 2.066 -0.772 6.126 1.00 2.21 N ATOM 513 CA ILE A 35 3.075 -1.560 6.821 1.00 55.33 C ATOM 514 C ILE A 35 2.439 -2.273 8.010 1.00 34.42 C ATOM 515 O ILE A 35 2.743 -3.433 8.294 1.00 53.25 O ATOM 516 CB ILE A 35 4.249 -0.681 7.306 1.00 42.43 C ATOM 517 CG1 ILE A 35 4.921 0.002 6.113 1.00 31.02 C ATOM 518 CG2 ILE A 35 5.264 -1.516 8.081 1.00 1.15 C ATOM 519 CD1 ILE A 35 6.017 0.968 6.502 1.00 61.23 C ATOM 0 H ILE A 35 2.225 0.235 6.149 1.00 2.21 H new ATOM 0 HA ILE A 35 3.473 -2.292 6.119 1.00 55.33 H new ATOM 0 HB ILE A 35 3.856 0.084 7.975 1.00 42.43 H new ATOM 0 HG12 ILE A 35 5.338 -0.762 5.457 1.00 31.02 H new ATOM 0 HG13 ILE A 35 4.165 0.537 5.539 1.00 31.02 H new ATOM 0 HG21 ILE A 35 6.082 -0.877 8.413 1.00 1.15 H new ATOM 0 HG22 ILE A 35 4.779 -1.965 8.948 1.00 1.15 H new ATOM 0 HG23 ILE A 35 5.656 -2.302 7.436 1.00 1.15 H new ATOM 0 HD11 ILE A 35 6.446 1.413 5.604 1.00 61.23 H new ATOM 0 HD12 ILE A 35 5.602 1.754 7.133 1.00 61.23 H new ATOM 0 HD13 ILE A 35 6.794 0.435 7.050 1.00 61.23 H new ATOM 531 N GLU A 36 1.533 -1.570 8.680 1.00 32.20 N ATOM 532 CA GLU A 36 0.778 -2.129 9.780 1.00 54.45 C ATOM 533 C GLU A 36 -0.096 -3.282 9.305 1.00 12.30 C ATOM 534 O GLU A 36 -0.146 -4.336 9.944 1.00 70.43 O ATOM 535 CB GLU A 36 -0.071 -1.035 10.426 1.00 2.02 C ATOM 536 CG GLU A 36 0.682 -0.205 11.455 1.00 63.12 C ATOM 537 CD GLU A 36 1.276 -1.053 12.558 1.00 14.34 C ATOM 538 OE1 GLU A 36 0.506 -1.730 13.269 1.00 13.32 O ATOM 539 OE2 GLU A 36 2.514 -1.047 12.717 1.00 73.23 O ATOM 0 H GLU A 36 1.306 -0.598 8.471 1.00 32.20 H new ATOM 0 HA GLU A 36 1.472 -2.523 10.522 1.00 54.45 H new ATOM 0 HB2 GLU A 36 -0.451 -0.374 9.647 1.00 2.02 H new ATOM 0 HB3 GLU A 36 -0.936 -1.494 10.905 1.00 2.02 H new ATOM 0 HG2 GLU A 36 1.478 0.349 10.958 1.00 63.12 H new ATOM 0 HG3 GLU A 36 0.005 0.530 11.890 1.00 63.12 H new ATOM 546 N LEU A 37 -0.770 -3.077 8.182 1.00 31.32 N ATOM 547 CA LEU A 37 -1.580 -4.118 7.566 1.00 35.31 C ATOM 548 C LEU A 37 -0.704 -5.324 7.229 1.00 12.12 C ATOM 549 O LEU A 37 -1.085 -6.472 7.463 1.00 32.13 O ATOM 550 CB LEU A 37 -2.239 -3.571 6.292 1.00 3.13 C ATOM 551 CG LEU A 37 -3.645 -4.099 5.974 1.00 31.41 C ATOM 552 CD1 LEU A 37 -4.170 -3.460 4.699 1.00 11.24 C ATOM 553 CD2 LEU A 37 -3.657 -5.615 5.844 1.00 51.12 C ATOM 0 H LEU A 37 -0.771 -2.192 7.676 1.00 31.32 H new ATOM 0 HA LEU A 37 -2.358 -4.431 8.263 1.00 35.31 H new ATOM 0 HB2 LEU A 37 -2.291 -2.485 6.373 1.00 3.13 H new ATOM 0 HB3 LEU A 37 -1.589 -3.797 5.446 1.00 3.13 H new ATOM 0 HG LEU A 37 -4.297 -3.830 6.805 1.00 31.41 H new ATOM 0 HD11 LEU A 37 -5.168 -3.843 4.484 1.00 11.24 H new ATOM 0 HD12 LEU A 37 -4.216 -2.378 4.826 1.00 11.24 H new ATOM 0 HD13 LEU A 37 -3.503 -3.700 3.871 1.00 11.24 H new ATOM 0 HD21 LEU A 37 -4.669 -5.953 5.619 1.00 51.12 H new ATOM 0 HD22 LEU A 37 -2.986 -5.917 5.040 1.00 51.12 H new ATOM 0 HD23 LEU A 37 -3.325 -6.063 6.780 1.00 51.12 H new ATOM 565 N ALA A 38 0.490 -5.044 6.720 1.00 0.42 N ATOM 566 CA ALA A 38 1.390 -6.088 6.251 1.00 70.32 C ATOM 567 C ALA A 38 1.851 -6.971 7.401 1.00 51.10 C ATOM 568 O ALA A 38 1.725 -8.190 7.340 1.00 64.04 O ATOM 569 CB ALA A 38 2.587 -5.480 5.534 1.00 10.15 C ATOM 0 H ALA A 38 0.858 -4.098 6.622 1.00 0.42 H new ATOM 0 HA ALA A 38 0.842 -6.712 5.545 1.00 70.32 H new ATOM 0 HB1 ALA A 38 3.248 -6.276 5.191 1.00 10.15 H new ATOM 0 HB2 ALA A 38 2.242 -4.900 4.678 1.00 10.15 H new ATOM 0 HB3 ALA A 38 3.129 -4.828 6.219 1.00 10.15 H new ATOM 575 N LYS A 39 2.362 -6.346 8.459 1.00 63.32 N ATOM 576 CA LYS A 39 2.861 -7.079 9.615 1.00 11.32 C ATOM 577 C LYS A 39 1.739 -7.839 10.310 1.00 62.21 C ATOM 578 O LYS A 39 1.966 -8.895 10.895 1.00 53.43 O ATOM 579 CB LYS A 39 3.520 -6.123 10.606 1.00 51.21 C ATOM 580 CG LYS A 39 4.750 -5.415 10.063 1.00 35.34 C ATOM 581 CD LYS A 39 5.302 -4.426 11.078 1.00 72.13 C ATOM 582 CE LYS A 39 4.271 -3.367 11.435 1.00 15.02 C ATOM 583 NZ LYS A 39 4.753 -2.449 12.496 1.00 41.04 N ATOM 0 H LYS A 39 2.441 -5.332 8.538 1.00 63.32 H new ATOM 0 HA LYS A 39 3.599 -7.798 9.259 1.00 11.32 H new ATOM 0 HB2 LYS A 39 2.789 -5.375 10.913 1.00 51.21 H new ATOM 0 HB3 LYS A 39 3.800 -6.680 11.500 1.00 51.21 H new ATOM 0 HG2 LYS A 39 5.515 -6.149 9.812 1.00 35.34 H new ATOM 0 HG3 LYS A 39 4.496 -4.892 9.141 1.00 35.34 H new ATOM 0 HD2 LYS A 39 5.607 -4.958 11.979 1.00 72.13 H new ATOM 0 HD3 LYS A 39 6.194 -3.947 10.674 1.00 72.13 H new ATOM 0 HE2 LYS A 39 4.022 -2.790 10.544 1.00 15.02 H new ATOM 0 HE3 LYS A 39 3.354 -3.853 11.767 1.00 15.02 H new ATOM 0 HZ1 LYS A 39 3.983 -1.810 12.778 1.00 41.04 H new ATOM 0 HZ2 LYS A 39 5.062 -3.003 13.320 1.00 41.04 H new ATOM 0 HZ3 LYS A 39 5.552 -1.890 12.135 1.00 41.04 H new ATOM 597 N SER A 40 0.530 -7.297 10.245 1.00 44.21 N ATOM 598 CA SER A 40 -0.625 -7.932 10.862 1.00 63.44 C ATOM 599 C SER A 40 -0.950 -9.247 10.153 1.00 53.42 C ATOM 600 O SER A 40 -1.376 -10.217 10.783 1.00 32.23 O ATOM 601 CB SER A 40 -1.830 -6.986 10.822 1.00 64.40 C ATOM 602 OG SER A 40 -2.957 -7.547 11.473 1.00 61.14 O ATOM 0 H SER A 40 0.324 -6.418 9.770 1.00 44.21 H new ATOM 0 HA SER A 40 -0.391 -8.153 11.904 1.00 63.44 H new ATOM 0 HB2 SER A 40 -1.567 -6.041 11.298 1.00 64.40 H new ATOM 0 HB3 SER A 40 -2.082 -6.761 9.786 1.00 64.40 H new ATOM 0 HG SER A 40 -3.707 -6.917 11.430 1.00 61.14 H new ATOM 608 N VAL A 41 -0.738 -9.273 8.845 1.00 21.15 N ATOM 609 CA VAL A 41 -0.980 -10.470 8.053 1.00 71.05 C ATOM 610 C VAL A 41 0.224 -11.405 8.103 1.00 13.52 C ATOM 611 O VAL A 41 0.087 -12.599 8.366 1.00 0.23 O ATOM 612 CB VAL A 41 -1.290 -10.120 6.578 1.00 3.54 C ATOM 613 CG1 VAL A 41 -1.480 -11.380 5.741 1.00 75.05 C ATOM 614 CG2 VAL A 41 -2.520 -9.230 6.487 1.00 64.34 C ATOM 0 H VAL A 41 -0.398 -8.475 8.308 1.00 21.15 H new ATOM 0 HA VAL A 41 -1.847 -10.970 8.485 1.00 71.05 H new ATOM 0 HB VAL A 41 -0.436 -9.575 6.177 1.00 3.54 H new ATOM 0 HG11 VAL A 41 -1.697 -11.102 4.709 1.00 75.05 H new ATOM 0 HG12 VAL A 41 -0.569 -11.978 5.772 1.00 75.05 H new ATOM 0 HG13 VAL A 41 -2.310 -11.961 6.142 1.00 75.05 H new ATOM 0 HG21 VAL A 41 -2.722 -8.995 5.442 1.00 64.34 H new ATOM 0 HG22 VAL A 41 -3.378 -9.750 6.914 1.00 64.34 H new ATOM 0 HG23 VAL A 41 -2.343 -8.307 7.039 1.00 64.34 H new ATOM 624 N CYS A 42 1.405 -10.853 7.872 1.00 11.52 N ATOM 625 CA CYS A 42 2.612 -11.649 7.781 1.00 3.44 C ATOM 626 C CYS A 42 3.746 -10.978 8.542 1.00 32.05 C ATOM 627 O CYS A 42 4.060 -9.813 8.307 1.00 60.21 O ATOM 628 CB CYS A 42 3.000 -11.835 6.312 1.00 21.14 C ATOM 629 SG CYS A 42 4.377 -12.973 6.040 1.00 13.44 S ATOM 0 H CYS A 42 1.550 -9.852 7.744 1.00 11.52 H new ATOM 0 HA CYS A 42 2.426 -12.626 8.227 1.00 3.44 H new ATOM 0 HB2 CYS A 42 2.131 -12.198 5.763 1.00 21.14 H new ATOM 0 HB3 CYS A 42 3.260 -10.863 5.892 1.00 21.14 H new ATOM 0 HG CYS A 42 4.122 -13.725 5.011 1.00 13.44 H new ATOM 635 N ALA A 43 4.356 -11.715 9.454 1.00 64.41 N ATOM 636 CA ALA A 43 5.471 -11.194 10.234 1.00 20.42 C ATOM 637 C ALA A 43 6.788 -11.400 9.495 1.00 42.12 C ATOM 638 O ALA A 43 7.781 -10.729 9.771 1.00 72.13 O ATOM 639 CB ALA A 43 5.519 -11.855 11.602 1.00 74.12 C ATOM 0 H ALA A 43 4.100 -12.677 9.675 1.00 64.41 H new ATOM 0 HA ALA A 43 5.320 -10.123 10.373 1.00 20.42 H new ATOM 0 HB1 ALA A 43 6.358 -11.454 12.171 1.00 74.12 H new ATOM 0 HB2 ALA A 43 4.590 -11.655 12.136 1.00 74.12 H new ATOM 0 HB3 ALA A 43 5.644 -12.931 11.482 1.00 74.12 H new ATOM 645 N GLY A 44 6.786 -12.329 8.549 1.00 4.50 N ATOM 646 CA GLY A 44 7.972 -12.583 7.754 1.00 20.10 C ATOM 647 C GLY A 44 7.935 -11.841 6.434 1.00 25.24 C ATOM 648 O GLY A 44 8.539 -12.271 5.449 1.00 43.10 O ATOM 0 H GLY A 44 5.982 -12.913 8.317 1.00 4.50 H new ATOM 0 HA2 GLY A 44 8.857 -12.282 8.315 1.00 20.10 H new ATOM 0 HA3 GLY A 44 8.062 -13.653 7.567 1.00 20.10 H new ATOM 652 N VAL A 45 7.218 -10.723 6.417 1.00 51.12 N ATOM 653 CA VAL A 45 7.066 -9.928 5.209 1.00 54.30 C ATOM 654 C VAL A 45 8.364 -9.200 4.868 1.00 41.43 C ATOM 655 O VAL A 45 8.950 -8.508 5.701 1.00 45.31 O ATOM 656 CB VAL A 45 5.897 -8.913 5.335 1.00 60.43 C ATOM 657 CG1 VAL A 45 6.098 -7.983 6.524 1.00 44.22 C ATOM 658 CG2 VAL A 45 5.731 -8.114 4.049 1.00 71.21 C ATOM 0 H VAL A 45 6.732 -10.347 7.231 1.00 51.12 H new ATOM 0 HA VAL A 45 6.828 -10.616 4.398 1.00 54.30 H new ATOM 0 HB VAL A 45 4.983 -9.481 5.506 1.00 60.43 H new ATOM 0 HG11 VAL A 45 5.263 -7.285 6.585 1.00 44.22 H new ATOM 0 HG12 VAL A 45 6.148 -8.570 7.441 1.00 44.22 H new ATOM 0 HG13 VAL A 45 7.027 -7.427 6.398 1.00 44.22 H new ATOM 0 HG21 VAL A 45 4.906 -7.410 4.162 1.00 71.21 H new ATOM 0 HG22 VAL A 45 6.650 -7.566 3.840 1.00 71.21 H new ATOM 0 HG23 VAL A 45 5.518 -8.793 3.224 1.00 71.21 H new ATOM 668 N GLU A 46 8.820 -9.386 3.645 1.00 71.00 N ATOM 669 CA GLU A 46 10.008 -8.713 3.155 1.00 24.42 C ATOM 670 C GLU A 46 9.584 -7.532 2.307 1.00 4.14 C ATOM 671 O GLU A 46 8.939 -7.709 1.279 1.00 62.23 O ATOM 672 CB GLU A 46 10.843 -9.667 2.308 1.00 52.01 C ATOM 673 CG GLU A 46 11.132 -10.991 2.987 1.00 22.14 C ATOM 674 CD GLU A 46 11.703 -12.015 2.031 1.00 13.12 C ATOM 675 OE1 GLU A 46 12.860 -11.840 1.595 1.00 71.44 O ATOM 676 OE2 GLU A 46 10.994 -12.992 1.699 1.00 35.53 O ATOM 0 H GLU A 46 8.380 -10.005 2.965 1.00 71.00 H new ATOM 0 HA GLU A 46 10.607 -8.376 4.001 1.00 24.42 H new ATOM 0 HB2 GLU A 46 10.322 -9.856 1.369 1.00 52.01 H new ATOM 0 HB3 GLU A 46 11.787 -9.184 2.057 1.00 52.01 H new ATOM 0 HG2 GLU A 46 11.833 -10.831 3.806 1.00 22.14 H new ATOM 0 HG3 GLU A 46 10.213 -11.380 3.426 1.00 22.14 H new ATOM 683 N TYR A 47 9.925 -6.331 2.724 1.00 10.04 N ATOM 684 CA TYR A 47 9.477 -5.159 2.000 1.00 2.32 C ATOM 685 C TYR A 47 10.603 -4.182 1.711 1.00 33.53 C ATOM 686 O TYR A 47 11.587 -4.091 2.450 1.00 42.11 O ATOM 687 CB TYR A 47 8.330 -4.452 2.737 1.00 74.43 C ATOM 688 CG TYR A 47 8.633 -4.041 4.165 1.00 71.10 C ATOM 689 CD1 TYR A 47 9.327 -2.870 4.441 1.00 1.44 C ATOM 690 CD2 TYR A 47 8.199 -4.813 5.233 1.00 30.02 C ATOM 691 CE1 TYR A 47 9.584 -2.482 5.743 1.00 43.13 C ATOM 692 CE2 TYR A 47 8.454 -4.434 6.539 1.00 10.15 C ATOM 693 CZ TYR A 47 9.145 -3.268 6.788 1.00 45.11 C ATOM 694 OH TYR A 47 9.389 -2.880 8.088 1.00 12.22 O ATOM 0 H TYR A 47 10.500 -6.141 3.545 1.00 10.04 H new ATOM 0 HA TYR A 47 9.107 -5.518 1.039 1.00 2.32 H new ATOM 0 HB2 TYR A 47 8.051 -3.563 2.172 1.00 74.43 H new ATOM 0 HB3 TYR A 47 7.462 -5.112 2.743 1.00 74.43 H new ATOM 0 HD1 TYR A 47 9.672 -2.252 3.625 1.00 1.44 H new ATOM 0 HD2 TYR A 47 7.653 -5.725 5.042 1.00 30.02 H new ATOM 0 HE1 TYR A 47 10.125 -1.569 5.941 1.00 43.13 H new ATOM 0 HE2 TYR A 47 8.113 -5.049 7.359 1.00 10.15 H new ATOM 0 HH TYR A 47 9.013 -3.544 8.703 1.00 12.22 H new ATOM 704 N ASN A 48 10.450 -3.476 0.607 1.00 70.02 N ATOM 705 CA ASN A 48 11.353 -2.399 0.235 1.00 53.21 C ATOM 706 C ASN A 48 10.555 -1.110 0.155 1.00 74.43 C ATOM 707 O ASN A 48 9.329 -1.142 0.042 1.00 52.14 O ATOM 708 CB ASN A 48 12.024 -2.644 -1.123 1.00 62.05 C ATOM 709 CG ASN A 48 12.752 -3.978 -1.236 1.00 35.13 C ATOM 710 OD1 ASN A 48 12.801 -4.577 -2.311 1.00 52.42 O ATOM 711 ND2 ASN A 48 13.332 -4.445 -0.142 1.00 54.24 N ATOM 0 H ASN A 48 9.694 -3.632 -0.060 1.00 70.02 H new ATOM 0 HA ASN A 48 12.138 -2.342 0.989 1.00 53.21 H new ATOM 0 HB2 ASN A 48 11.265 -2.591 -1.904 1.00 62.05 H new ATOM 0 HB3 ASN A 48 12.734 -1.839 -1.314 1.00 62.05 H new ATOM 0 HD21 ASN A 48 13.841 -5.329 -0.172 1.00 54.24 H new ATOM 0 HD22 ASN A 48 13.270 -3.921 0.731 1.00 54.24 H new ATOM 718 N VAL A 49 11.246 0.011 0.188 1.00 32.11 N ATOM 719 CA VAL A 49 10.601 1.320 0.175 1.00 23.54 C ATOM 720 C VAL A 49 11.414 2.281 -0.682 1.00 43.33 C ATOM 721 O VAL A 49 12.644 2.290 -0.614 1.00 64.40 O ATOM 722 CB VAL A 49 10.462 1.915 1.605 1.00 21.21 C ATOM 723 CG1 VAL A 49 9.725 3.247 1.573 1.00 61.52 C ATOM 724 CG2 VAL A 49 9.754 0.946 2.543 1.00 4.34 C ATOM 0 H VAL A 49 12.265 0.047 0.224 1.00 32.11 H new ATOM 0 HA VAL A 49 9.601 1.188 -0.238 1.00 23.54 H new ATOM 0 HB VAL A 49 11.469 2.084 1.986 1.00 21.21 H new ATOM 0 HG11 VAL A 49 9.642 3.641 2.586 1.00 61.52 H new ATOM 0 HG12 VAL A 49 10.277 3.953 0.953 1.00 61.52 H new ATOM 0 HG13 VAL A 49 8.728 3.101 1.157 1.00 61.52 H new ATOM 0 HG21 VAL A 49 9.673 1.392 3.534 1.00 4.34 H new ATOM 0 HG22 VAL A 49 8.757 0.731 2.159 1.00 4.34 H new ATOM 0 HG23 VAL A 49 10.325 0.020 2.608 1.00 4.34 H new ATOM 734 N SER A 50 10.733 3.071 -1.501 1.00 63.10 N ATOM 735 CA SER A 50 11.402 4.081 -2.305 1.00 42.44 C ATOM 736 C SER A 50 11.900 5.229 -1.438 1.00 24.13 C ATOM 737 O SER A 50 11.673 5.254 -0.223 1.00 63.22 O ATOM 738 CB SER A 50 10.457 4.613 -3.376 1.00 41.12 C ATOM 739 OG SER A 50 9.161 4.834 -2.843 1.00 65.33 O ATOM 0 H SER A 50 9.721 3.031 -1.625 1.00 63.10 H new ATOM 0 HA SER A 50 12.262 3.614 -2.785 1.00 42.44 H new ATOM 0 HB2 SER A 50 10.850 5.544 -3.784 1.00 41.12 H new ATOM 0 HB3 SER A 50 10.399 3.903 -4.201 1.00 41.12 H new ATOM 0 HG SER A 50 8.987 5.797 -2.795 1.00 65.33 H new ATOM 745 N GLU A 51 12.564 6.181 -2.064 1.00 54.11 N ATOM 746 CA GLU A 51 13.106 7.319 -1.340 1.00 51.23 C ATOM 747 C GLU A 51 12.049 8.387 -1.113 1.00 31.53 C ATOM 748 O GLU A 51 11.352 8.799 -2.040 1.00 44.45 O ATOM 749 CB GLU A 51 14.309 7.907 -2.071 1.00 12.12 C ATOM 750 CG GLU A 51 15.541 7.034 -1.965 1.00 1.21 C ATOM 751 CD GLU A 51 15.862 6.682 -0.528 1.00 43.33 C ATOM 752 OE1 GLU A 51 16.499 7.503 0.166 1.00 3.11 O ATOM 753 OE2 GLU A 51 15.457 5.591 -0.078 1.00 33.02 O ATOM 0 H GLU A 51 12.742 6.191 -3.068 1.00 54.11 H new ATOM 0 HA GLU A 51 13.436 6.959 -0.365 1.00 51.23 H new ATOM 0 HB2 GLU A 51 14.057 8.047 -3.122 1.00 12.12 H new ATOM 0 HB3 GLU A 51 14.531 8.893 -1.662 1.00 12.12 H new ATOM 0 HG2 GLU A 51 15.388 6.119 -2.537 1.00 1.21 H new ATOM 0 HG3 GLU A 51 16.391 7.550 -2.411 1.00 1.21 H new ATOM 760 N LEU A 52 11.930 8.813 0.132 1.00 30.42 N ATOM 761 CA LEU A 52 11.012 9.873 0.494 1.00 20.14 C ATOM 762 C LEU A 52 11.737 11.207 0.471 1.00 65.10 C ATOM 763 O LEU A 52 12.649 11.439 1.267 1.00 54.12 O ATOM 764 CB LEU A 52 10.442 9.610 1.884 1.00 54.41 C ATOM 765 CG LEU A 52 9.672 8.300 2.033 1.00 45.11 C ATOM 766 CD1 LEU A 52 9.271 8.080 3.483 1.00 72.14 C ATOM 767 CD2 LEU A 52 8.450 8.309 1.134 1.00 73.03 C ATOM 0 H LEU A 52 12.464 8.435 0.915 1.00 30.42 H new ATOM 0 HA LEU A 52 10.192 9.902 -0.224 1.00 20.14 H new ATOM 0 HB2 LEU A 52 11.262 9.615 2.602 1.00 54.41 H new ATOM 0 HB3 LEU A 52 9.780 10.434 2.150 1.00 54.41 H new ATOM 0 HG LEU A 52 10.319 7.476 1.731 1.00 45.11 H new ATOM 0 HD11 LEU A 52 8.723 7.142 3.571 1.00 72.14 H new ATOM 0 HD12 LEU A 52 10.165 8.038 4.105 1.00 72.14 H new ATOM 0 HD13 LEU A 52 8.637 8.903 3.814 1.00 72.14 H new ATOM 0 HD21 LEU A 52 7.908 7.370 1.248 1.00 73.03 H new ATOM 0 HD22 LEU A 52 7.800 9.139 1.411 1.00 73.03 H new ATOM 0 HD23 LEU A 52 8.763 8.424 0.096 1.00 73.03 H new ATOM 779 N THR A 53 11.343 12.071 -0.442 1.00 52.25 N ATOM 780 CA THR A 53 11.991 13.358 -0.606 1.00 4.22 C ATOM 781 C THR A 53 10.955 14.471 -0.674 1.00 14.23 C ATOM 782 O THR A 53 9.754 14.223 -0.550 1.00 41.42 O ATOM 783 CB THR A 53 12.844 13.391 -1.893 1.00 24.20 C ATOM 784 OG1 THR A 53 12.010 13.183 -3.041 1.00 60.13 O ATOM 785 CG2 THR A 53 13.934 12.334 -1.858 1.00 15.25 C ATOM 0 H THR A 53 10.571 11.904 -1.087 1.00 52.25 H new ATOM 0 HA THR A 53 12.640 13.510 0.257 1.00 4.22 H new ATOM 0 HB THR A 53 13.317 14.371 -1.957 1.00 24.20 H new ATOM 0 HG1 THR A 53 12.559 13.207 -3.853 1.00 60.13 H new ATOM 0 HG21 THR A 53 14.517 12.382 -2.778 1.00 15.25 H new ATOM 0 HG22 THR A 53 14.587 12.513 -1.004 1.00 15.25 H new ATOM 0 HG23 THR A 53 13.481 11.347 -1.767 1.00 15.25 H new ATOM 793 N GLU A 54 11.422 15.694 -0.873 1.00 33.14 N ATOM 794 CA GLU A 54 10.538 16.824 -1.091 1.00 2.11 C ATOM 795 C GLU A 54 9.910 16.732 -2.479 1.00 62.02 C ATOM 796 O GLU A 54 8.872 17.337 -2.756 1.00 63.41 O ATOM 797 CB GLU A 54 11.315 18.135 -0.962 1.00 51.43 C ATOM 798 CG GLU A 54 11.622 18.551 0.472 1.00 45.01 C ATOM 799 CD GLU A 54 12.498 17.559 1.211 1.00 45.01 C ATOM 800 OE1 GLU A 54 13.714 17.501 0.930 1.00 60.34 O ATOM 801 OE2 GLU A 54 11.975 16.838 2.087 1.00 34.11 O ATOM 0 H GLU A 54 12.415 15.928 -0.888 1.00 33.14 H new ATOM 0 HA GLU A 54 9.750 16.804 -0.338 1.00 2.11 H new ATOM 0 HB2 GLU A 54 12.254 18.041 -1.508 1.00 51.43 H new ATOM 0 HB3 GLU A 54 10.744 18.929 -1.443 1.00 51.43 H new ATOM 0 HG2 GLU A 54 12.114 19.523 0.463 1.00 45.01 H new ATOM 0 HG3 GLU A 54 10.685 18.673 1.016 1.00 45.01 H new ATOM 808 N GLU A 55 10.548 15.957 -3.342 1.00 41.32 N ATOM 809 CA GLU A 55 10.128 15.835 -4.728 1.00 74.15 C ATOM 810 C GLU A 55 9.107 14.714 -4.904 1.00 71.44 C ATOM 811 O GLU A 55 8.311 14.734 -5.843 1.00 24.23 O ATOM 812 CB GLU A 55 11.346 15.569 -5.612 1.00 22.13 C ATOM 813 CG GLU A 55 12.444 16.605 -5.451 1.00 24.31 C ATOM 814 CD GLU A 55 13.672 16.278 -6.269 1.00 4.32 C ATOM 815 OE1 GLU A 55 13.604 16.379 -7.513 1.00 71.13 O ATOM 816 OE2 GLU A 55 14.704 15.904 -5.673 1.00 70.35 O ATOM 0 H GLU A 55 11.367 15.398 -3.103 1.00 41.32 H new ATOM 0 HA GLU A 55 9.654 16.771 -5.023 1.00 74.15 H new ATOM 0 HB2 GLU A 55 11.749 14.584 -5.377 1.00 22.13 H new ATOM 0 HB3 GLU A 55 11.030 15.544 -6.655 1.00 22.13 H new ATOM 0 HG2 GLU A 55 12.063 17.582 -5.748 1.00 24.31 H new ATOM 0 HG3 GLU A 55 12.720 16.676 -4.399 1.00 24.31 H new ATOM 823 N SER A 56 9.132 13.742 -4.004 1.00 0.11 N ATOM 824 CA SER A 56 8.251 12.592 -4.104 1.00 62.12 C ATOM 825 C SER A 56 6.846 12.908 -3.613 1.00 31.23 C ATOM 826 O SER A 56 6.642 13.252 -2.446 1.00 44.04 O ATOM 827 CB SER A 56 8.824 11.420 -3.311 1.00 44.52 C ATOM 828 OG SER A 56 9.137 11.806 -1.984 1.00 74.21 O ATOM 0 H SER A 56 9.754 13.728 -3.196 1.00 0.11 H new ATOM 0 HA SER A 56 8.183 12.324 -5.158 1.00 62.12 H new ATOM 0 HB2 SER A 56 8.104 10.602 -3.295 1.00 44.52 H new ATOM 0 HB3 SER A 56 9.721 11.046 -3.805 1.00 44.52 H new ATOM 0 HG SER A 56 8.394 12.323 -1.610 1.00 74.21 H new ATOM 834 N LYS A 57 5.891 12.814 -4.520 1.00 12.13 N ATOM 835 CA LYS A 57 4.485 12.848 -4.159 1.00 5.53 C ATOM 836 C LYS A 57 3.913 11.452 -4.346 1.00 31.44 C ATOM 837 O LYS A 57 2.719 11.205 -4.161 1.00 0.14 O ATOM 838 CB LYS A 57 3.715 13.870 -5.006 1.00 31.23 C ATOM 839 CG LYS A 57 3.894 15.316 -4.550 1.00 15.04 C ATOM 840 CD LYS A 57 5.329 15.797 -4.709 1.00 12.11 C ATOM 841 CE LYS A 57 5.524 17.188 -4.127 1.00 50.54 C ATOM 842 NZ LYS A 57 5.225 17.234 -2.670 1.00 25.12 N ATOM 0 H LYS A 57 6.065 12.713 -5.520 1.00 12.13 H new ATOM 0 HA LYS A 57 4.383 13.158 -3.119 1.00 5.53 H new ATOM 0 HB2 LYS A 57 4.039 13.784 -6.043 1.00 31.23 H new ATOM 0 HB3 LYS A 57 2.654 13.621 -4.982 1.00 31.23 H new ATOM 0 HG2 LYS A 57 3.231 15.961 -5.126 1.00 15.04 H new ATOM 0 HG3 LYS A 57 3.597 15.405 -3.505 1.00 15.04 H new ATOM 0 HD2 LYS A 57 6.004 15.098 -4.215 1.00 12.11 H new ATOM 0 HD3 LYS A 57 5.595 15.804 -5.766 1.00 12.11 H new ATOM 0 HE2 LYS A 57 6.552 17.510 -4.296 1.00 50.54 H new ATOM 0 HE3 LYS A 57 4.879 17.893 -4.651 1.00 50.54 H new ATOM 0 HZ1 LYS A 57 5.468 18.173 -2.295 1.00 25.12 H new ATOM 0 HZ2 LYS A 57 4.213 17.052 -2.517 1.00 25.12 H new ATOM 0 HZ3 LYS A 57 5.785 16.509 -2.178 1.00 25.12 H new ATOM 856 N GLU A 58 4.810 10.542 -4.713 1.00 22.05 N ATOM 857 CA GLU A 58 4.479 9.146 -4.935 1.00 55.24 C ATOM 858 C GLU A 58 5.523 8.285 -4.242 1.00 60.34 C ATOM 859 O GLU A 58 6.719 8.553 -4.362 1.00 73.41 O ATOM 860 CB GLU A 58 4.509 8.818 -6.430 1.00 74.34 C ATOM 861 CG GLU A 58 3.823 9.842 -7.313 1.00 22.23 C ATOM 862 CD GLU A 58 4.287 9.739 -8.749 1.00 24.11 C ATOM 863 OE1 GLU A 58 5.368 10.283 -9.065 1.00 23.33 O ATOM 864 OE2 GLU A 58 3.586 9.107 -9.567 1.00 14.31 O ATOM 0 H GLU A 58 5.795 10.759 -4.865 1.00 22.05 H new ATOM 0 HA GLU A 58 3.481 8.953 -4.542 1.00 55.24 H new ATOM 0 HB2 GLU A 58 5.547 8.721 -6.747 1.00 74.34 H new ATOM 0 HB3 GLU A 58 4.037 7.848 -6.586 1.00 74.34 H new ATOM 0 HG2 GLU A 58 2.744 9.698 -7.268 1.00 22.23 H new ATOM 0 HG3 GLU A 58 4.027 10.844 -6.935 1.00 22.23 H new ATOM 871 N LEU A 59 5.094 7.267 -3.526 1.00 41.21 N ATOM 872 CA LEU A 59 6.040 6.334 -2.937 1.00 52.20 C ATOM 873 C LEU A 59 5.592 4.911 -3.187 1.00 64.10 C ATOM 874 O LEU A 59 4.394 4.616 -3.212 1.00 4.43 O ATOM 875 CB LEU A 59 6.240 6.581 -1.434 1.00 54.32 C ATOM 876 CG LEU A 59 5.135 6.071 -0.497 1.00 3.32 C ATOM 877 CD1 LEU A 59 5.556 6.247 0.951 1.00 44.05 C ATOM 878 CD2 LEU A 59 3.826 6.797 -0.742 1.00 3.53 C ATOM 0 H LEU A 59 4.112 7.063 -3.338 1.00 41.21 H new ATOM 0 HA LEU A 59 7.004 6.497 -3.418 1.00 52.20 H new ATOM 0 HB2 LEU A 59 7.180 6.117 -1.135 1.00 54.32 H new ATOM 0 HB3 LEU A 59 6.350 7.654 -1.277 1.00 54.32 H new ATOM 0 HG LEU A 59 4.982 5.012 -0.705 1.00 3.32 H new ATOM 0 HD11 LEU A 59 4.765 5.882 1.607 1.00 44.05 H new ATOM 0 HD12 LEU A 59 6.470 5.682 1.135 1.00 44.05 H new ATOM 0 HD13 LEU A 59 5.736 7.303 1.152 1.00 44.05 H new ATOM 0 HD21 LEU A 59 3.064 6.413 -0.063 1.00 3.53 H new ATOM 0 HD22 LEU A 59 3.963 7.864 -0.567 1.00 3.53 H new ATOM 0 HD23 LEU A 59 3.508 6.636 -1.772 1.00 3.53 H new ATOM 890 N THR A 60 6.554 4.037 -3.389 1.00 0.04 N ATOM 891 CA THR A 60 6.264 2.654 -3.689 1.00 71.44 C ATOM 892 C THR A 60 6.754 1.745 -2.573 1.00 14.24 C ATOM 893 O THR A 60 7.912 1.822 -2.151 1.00 31.32 O ATOM 894 CB THR A 60 6.912 2.229 -5.017 1.00 70.54 C ATOM 895 OG1 THR A 60 6.559 3.164 -6.045 1.00 31.23 O ATOM 896 CG2 THR A 60 6.457 0.833 -5.417 1.00 15.41 C ATOM 0 H THR A 60 7.548 4.262 -3.350 1.00 0.04 H new ATOM 0 HA THR A 60 5.182 2.559 -3.778 1.00 71.44 H new ATOM 0 HB THR A 60 7.994 2.216 -4.887 1.00 70.54 H new ATOM 0 HG1 THR A 60 7.199 3.095 -6.784 1.00 31.23 H new ATOM 0 HG21 THR A 60 6.928 0.553 -6.359 1.00 15.41 H new ATOM 0 HG22 THR A 60 6.743 0.121 -4.643 1.00 15.41 H new ATOM 0 HG23 THR A 60 5.374 0.824 -5.536 1.00 15.41 H new ATOM 904 N ALA A 61 5.859 0.904 -2.087 1.00 73.00 N ATOM 905 CA ALA A 61 6.199 -0.081 -1.086 1.00 72.33 C ATOM 906 C ALA A 61 6.090 -1.471 -1.688 1.00 12.24 C ATOM 907 O ALA A 61 5.004 -1.920 -2.062 1.00 43.15 O ATOM 908 CB ALA A 61 5.295 0.051 0.126 1.00 73.31 C ATOM 0 H ALA A 61 4.881 0.887 -2.376 1.00 73.00 H new ATOM 0 HA ALA A 61 7.224 0.086 -0.756 1.00 72.33 H new ATOM 0 HB1 ALA A 61 5.568 -0.700 0.867 1.00 73.31 H new ATOM 0 HB2 ALA A 61 5.408 1.045 0.558 1.00 73.31 H new ATOM 0 HB3 ALA A 61 4.258 -0.097 -0.176 1.00 73.31 H new ATOM 914 N ARG A 62 7.223 -2.131 -1.811 1.00 1.55 N ATOM 915 CA ARG A 62 7.269 -3.456 -2.395 1.00 42.33 C ATOM 916 C ARG A 62 7.165 -4.500 -1.291 1.00 52.34 C ATOM 917 O ARG A 62 8.058 -4.608 -0.457 1.00 52.31 O ATOM 918 CB ARG A 62 8.573 -3.608 -3.193 1.00 60.32 C ATOM 919 CG ARG A 62 8.841 -5.005 -3.732 1.00 40.32 C ATOM 920 CD ARG A 62 7.672 -5.540 -4.540 1.00 41.14 C ATOM 921 NE ARG A 62 7.261 -4.641 -5.617 1.00 15.11 N ATOM 922 CZ ARG A 62 6.919 -5.058 -6.836 1.00 74.22 C ATOM 923 NH1 ARG A 62 7.056 -6.335 -7.168 1.00 71.43 N ATOM 924 NH2 ARG A 62 6.441 -4.196 -7.721 1.00 71.45 N ATOM 0 H ARG A 62 8.129 -1.769 -1.513 1.00 1.55 H new ATOM 0 HA ARG A 62 6.431 -3.602 -3.076 1.00 42.33 H new ATOM 0 HB2 ARG A 62 8.552 -2.910 -4.030 1.00 60.32 H new ATOM 0 HB3 ARG A 62 9.407 -3.315 -2.555 1.00 60.32 H new ATOM 0 HG2 ARG A 62 9.734 -4.987 -4.356 1.00 40.32 H new ATOM 0 HG3 ARG A 62 9.046 -5.680 -2.901 1.00 40.32 H new ATOM 0 HD2 ARG A 62 7.944 -6.506 -4.965 1.00 41.14 H new ATOM 0 HD3 ARG A 62 6.826 -5.711 -3.874 1.00 41.14 H new ATOM 0 HE ARG A 62 7.234 -3.640 -5.425 1.00 15.11 H new ATOM 0 HH11 ARG A 62 7.424 -7.002 -6.489 1.00 71.43 H new ATOM 0 HH12 ARG A 62 6.793 -6.650 -8.102 1.00 71.43 H new ATOM 0 HH21 ARG A 62 6.335 -3.213 -7.470 1.00 71.45 H new ATOM 0 HH22 ARG A 62 6.179 -4.515 -8.654 1.00 71.45 H new ATOM 938 N PHE A 63 6.080 -5.264 -1.293 1.00 25.34 N ATOM 939 CA PHE A 63 5.830 -6.234 -0.236 1.00 52.33 C ATOM 940 C PHE A 63 5.937 -7.657 -0.759 1.00 14.13 C ATOM 941 O PHE A 63 5.223 -8.044 -1.679 1.00 71.12 O ATOM 942 CB PHE A 63 4.439 -6.033 0.377 1.00 24.33 C ATOM 943 CG PHE A 63 4.275 -4.755 1.149 1.00 64.21 C ATOM 944 CD1 PHE A 63 4.858 -4.606 2.396 1.00 11.41 C ATOM 945 CD2 PHE A 63 3.528 -3.709 0.632 1.00 11.22 C ATOM 946 CE1 PHE A 63 4.702 -3.436 3.114 1.00 75.33 C ATOM 947 CE2 PHE A 63 3.366 -2.538 1.347 1.00 75.00 C ATOM 948 CZ PHE A 63 3.955 -2.402 2.589 1.00 74.13 C ATOM 0 H PHE A 63 5.360 -5.230 -2.015 1.00 25.34 H new ATOM 0 HA PHE A 63 6.590 -6.075 0.529 1.00 52.33 H new ATOM 0 HB2 PHE A 63 3.697 -6.058 -0.421 1.00 24.33 H new ATOM 0 HB3 PHE A 63 4.223 -6.872 1.038 1.00 24.33 H new ATOM 0 HD1 PHE A 63 5.442 -5.414 2.812 1.00 11.41 H new ATOM 0 HD2 PHE A 63 3.068 -3.810 -0.340 1.00 11.22 H new ATOM 0 HE1 PHE A 63 5.164 -3.331 4.085 1.00 75.33 H new ATOM 0 HE2 PHE A 63 2.780 -1.730 0.935 1.00 75.00 H new ATOM 0 HZ PHE A 63 3.831 -1.487 3.149 1.00 74.13 H new ATOM 958 N LYS A 64 6.834 -8.425 -0.179 1.00 70.21 N ATOM 959 CA LYS A 64 6.933 -9.838 -0.481 1.00 23.22 C ATOM 960 C LYS A 64 6.560 -10.652 0.747 1.00 71.20 C ATOM 961 O LYS A 64 7.150 -10.487 1.814 1.00 23.20 O ATOM 962 CB LYS A 64 8.347 -10.196 -0.926 1.00 70.42 C ATOM 963 CG LYS A 64 8.529 -11.679 -1.188 1.00 4.45 C ATOM 964 CD LYS A 64 9.981 -12.031 -1.445 1.00 54.40 C ATOM 965 CE LYS A 64 10.151 -13.531 -1.591 1.00 72.43 C ATOM 966 NZ LYS A 64 9.610 -14.264 -0.416 1.00 30.22 N ATOM 0 H LYS A 64 7.510 -8.092 0.509 1.00 70.21 H new ATOM 0 HA LYS A 64 6.245 -10.068 -1.294 1.00 23.22 H new ATOM 0 HB2 LYS A 64 8.588 -9.640 -1.832 1.00 70.42 H new ATOM 0 HB3 LYS A 64 9.054 -9.879 -0.160 1.00 70.42 H new ATOM 0 HG2 LYS A 64 8.163 -12.247 -0.333 1.00 4.45 H new ATOM 0 HG3 LYS A 64 7.926 -11.973 -2.047 1.00 4.45 H new ATOM 0 HD2 LYS A 64 10.327 -11.531 -2.350 1.00 54.40 H new ATOM 0 HD3 LYS A 64 10.599 -11.668 -0.624 1.00 54.40 H new ATOM 0 HE2 LYS A 64 9.644 -13.868 -2.495 1.00 72.43 H new ATOM 0 HE3 LYS A 64 11.208 -13.767 -1.712 1.00 72.43 H new ATOM 0 HZ1 LYS A 64 9.878 -15.267 -0.479 1.00 30.22 H new ATOM 0 HZ2 LYS A 64 10.000 -13.856 0.457 1.00 30.22 H new ATOM 0 HZ3 LYS A 64 8.573 -14.183 -0.404 1.00 30.22 H new ATOM 980 N PHE A 65 5.583 -11.523 0.596 1.00 22.44 N ATOM 981 CA PHE A 65 5.119 -12.341 1.702 1.00 5.12 C ATOM 982 C PHE A 65 5.808 -13.700 1.684 1.00 21.52 C ATOM 983 O PHE A 65 6.740 -13.922 0.904 1.00 13.14 O ATOM 984 CB PHE A 65 3.603 -12.498 1.631 1.00 21.54 C ATOM 985 CG PHE A 65 2.876 -11.184 1.697 1.00 72.22 C ATOM 986 CD1 PHE A 65 2.622 -10.581 2.918 1.00 62.03 C ATOM 987 CD2 PHE A 65 2.456 -10.548 0.540 1.00 34.14 C ATOM 988 CE1 PHE A 65 1.964 -9.368 2.984 1.00 74.35 C ATOM 989 CE2 PHE A 65 1.798 -9.335 0.599 1.00 0.44 C ATOM 990 CZ PHE A 65 1.552 -8.744 1.824 1.00 12.13 C ATOM 0 H PHE A 65 5.093 -11.684 -0.284 1.00 22.44 H new ATOM 0 HA PHE A 65 5.373 -11.848 2.640 1.00 5.12 H new ATOM 0 HB2 PHE A 65 3.338 -13.008 0.705 1.00 21.54 H new ATOM 0 HB3 PHE A 65 3.270 -13.134 2.451 1.00 21.54 H new ATOM 0 HD1 PHE A 65 2.942 -11.065 3.829 1.00 62.03 H new ATOM 0 HD2 PHE A 65 2.645 -11.006 -0.419 1.00 34.14 H new ATOM 0 HE1 PHE A 65 1.772 -8.909 3.942 1.00 74.35 H new ATOM 0 HE2 PHE A 65 1.476 -8.849 -0.310 1.00 0.44 H new ATOM 0 HZ PHE A 65 1.038 -7.795 1.873 1.00 12.13 H new ATOM 1000 N GLU A 66 5.358 -14.603 2.544 1.00 52.20 N ATOM 1001 CA GLU A 66 5.972 -15.908 2.658 1.00 40.54 C ATOM 1002 C GLU A 66 5.298 -16.897 1.716 1.00 15.10 C ATOM 1003 O GLU A 66 5.963 -17.693 1.050 1.00 31.42 O ATOM 1004 CB GLU A 66 5.892 -16.394 4.103 1.00 54.02 C ATOM 1005 CG GLU A 66 6.550 -15.444 5.093 1.00 10.03 C ATOM 1006 CD GLU A 66 6.692 -16.037 6.478 1.00 24.41 C ATOM 1007 OE1 GLU A 66 5.680 -16.136 7.203 1.00 70.32 O ATOM 1008 OE2 GLU A 66 7.824 -16.397 6.855 1.00 23.34 O ATOM 0 H GLU A 66 4.568 -14.451 3.172 1.00 52.20 H new ATOM 0 HA GLU A 66 7.022 -15.833 2.373 1.00 40.54 H new ATOM 0 HB2 GLU A 66 4.845 -16.527 4.377 1.00 54.02 H new ATOM 0 HB3 GLU A 66 6.367 -17.372 4.177 1.00 54.02 H new ATOM 0 HG2 GLU A 66 7.536 -15.166 4.720 1.00 10.03 H new ATOM 0 HG3 GLU A 66 5.962 -14.528 5.155 1.00 10.03 H new ATOM 1015 N VAL A 67 3.974 -16.839 1.658 1.00 24.02 N ATOM 1016 CA VAL A 67 3.215 -17.681 0.742 1.00 43.14 C ATOM 1017 C VAL A 67 2.325 -16.822 -0.145 1.00 1.04 C ATOM 1018 O VAL A 67 1.981 -15.695 0.216 1.00 34.15 O ATOM 1019 CB VAL A 67 2.358 -18.735 1.482 1.00 70.42 C ATOM 1020 CG1 VAL A 67 3.244 -19.672 2.287 1.00 64.11 C ATOM 1021 CG2 VAL A 67 1.327 -18.074 2.383 1.00 35.52 C ATOM 0 H VAL A 67 3.404 -16.219 2.233 1.00 24.02 H new ATOM 0 HA VAL A 67 3.938 -18.220 0.129 1.00 43.14 H new ATOM 0 HB VAL A 67 1.823 -19.317 0.732 1.00 70.42 H new ATOM 0 HG11 VAL A 67 2.624 -20.407 2.801 1.00 64.11 H new ATOM 0 HG12 VAL A 67 3.935 -20.185 1.617 1.00 64.11 H new ATOM 0 HG13 VAL A 67 3.809 -19.097 3.021 1.00 64.11 H new ATOM 0 HG21 VAL A 67 0.741 -18.841 2.889 1.00 35.52 H new ATOM 0 HG22 VAL A 67 1.834 -17.457 3.125 1.00 35.52 H new ATOM 0 HG23 VAL A 67 0.666 -17.449 1.782 1.00 35.52 H new ATOM 1031 N SER A 68 1.954 -17.358 -1.299 1.00 52.44 N ATOM 1032 CA SER A 68 1.193 -16.611 -2.292 1.00 31.22 C ATOM 1033 C SER A 68 -0.173 -16.179 -1.771 1.00 42.13 C ATOM 1034 O SER A 68 -0.711 -15.147 -2.180 1.00 31.40 O ATOM 1035 CB SER A 68 1.043 -17.450 -3.559 1.00 41.22 C ATOM 1036 OG SER A 68 0.753 -18.803 -3.245 1.00 31.14 O ATOM 0 H SER A 68 2.170 -18.317 -1.573 1.00 52.44 H new ATOM 0 HA SER A 68 1.746 -15.699 -2.519 1.00 31.22 H new ATOM 0 HB2 SER A 68 0.246 -17.039 -4.179 1.00 41.22 H new ATOM 0 HB3 SER A 68 1.961 -17.398 -4.144 1.00 41.22 H new ATOM 0 HG SER A 68 0.660 -19.318 -4.073 1.00 31.14 H new ATOM 1042 N ALA A 69 -0.714 -16.964 -0.855 1.00 42.23 N ATOM 1043 CA ALA A 69 -2.017 -16.685 -0.266 1.00 50.40 C ATOM 1044 C ALA A 69 -2.024 -15.341 0.454 1.00 33.13 C ATOM 1045 O ALA A 69 -3.027 -14.630 0.449 1.00 71.22 O ATOM 1046 CB ALA A 69 -2.413 -17.800 0.692 1.00 60.12 C ATOM 0 H ALA A 69 -0.267 -17.809 -0.499 1.00 42.23 H new ATOM 0 HA ALA A 69 -2.747 -16.636 -1.074 1.00 50.40 H new ATOM 0 HB1 ALA A 69 -3.389 -17.578 1.125 1.00 60.12 H new ATOM 0 HB2 ALA A 69 -2.462 -18.745 0.150 1.00 60.12 H new ATOM 0 HB3 ALA A 69 -1.672 -17.876 1.488 1.00 60.12 H new ATOM 1052 N GLU A 70 -0.888 -14.985 1.047 1.00 52.24 N ATOM 1053 CA GLU A 70 -0.783 -13.763 1.832 1.00 34.34 C ATOM 1054 C GLU A 70 -0.902 -12.524 0.947 1.00 1.15 C ATOM 1055 O GLU A 70 -1.378 -11.479 1.396 1.00 12.20 O ATOM 1056 CB GLU A 70 0.533 -13.753 2.608 1.00 55.52 C ATOM 1057 CG GLU A 70 0.651 -14.902 3.593 1.00 31.03 C ATOM 1058 CD GLU A 70 1.912 -14.839 4.425 1.00 2.24 C ATOM 1059 OE1 GLU A 70 3.016 -14.854 3.844 1.00 2.33 O ATOM 1060 OE2 GLU A 70 1.803 -14.775 5.664 1.00 2.40 O ATOM 0 H GLU A 70 -0.026 -15.528 0.997 1.00 52.24 H new ATOM 0 HA GLU A 70 -1.610 -13.738 2.542 1.00 34.34 H new ATOM 0 HB2 GLU A 70 1.364 -13.799 1.904 1.00 55.52 H new ATOM 0 HB3 GLU A 70 0.623 -12.810 3.146 1.00 55.52 H new ATOM 0 HG2 GLU A 70 -0.215 -14.897 4.255 1.00 31.03 H new ATOM 0 HG3 GLU A 70 0.629 -15.845 3.047 1.00 31.03 H new ATOM 1067 N LYS A 71 -0.490 -12.648 -0.314 1.00 41.14 N ATOM 1068 CA LYS A 71 -0.638 -11.556 -1.274 1.00 43.11 C ATOM 1069 C LYS A 71 -2.111 -11.243 -1.457 1.00 33.33 C ATOM 1070 O LYS A 71 -2.551 -10.104 -1.303 1.00 75.41 O ATOM 1071 CB LYS A 71 -0.044 -11.938 -2.631 1.00 15.44 C ATOM 1072 CG LYS A 71 0.091 -10.756 -3.587 1.00 44.20 C ATOM 1073 CD LYS A 71 -0.783 -10.924 -4.825 1.00 43.54 C ATOM 1074 CE LYS A 71 -0.136 -11.831 -5.859 1.00 3.22 C ATOM 1075 NZ LYS A 71 0.975 -11.152 -6.585 1.00 3.41 N ATOM 0 H LYS A 71 -0.054 -13.489 -0.693 1.00 41.14 H new ATOM 0 HA LYS A 71 -0.108 -10.685 -0.888 1.00 43.11 H new ATOM 0 HB2 LYS A 71 0.938 -12.385 -2.477 1.00 15.44 H new ATOM 0 HB3 LYS A 71 -0.672 -12.700 -3.093 1.00 15.44 H new ATOM 0 HG2 LYS A 71 -0.185 -9.837 -3.070 1.00 44.20 H new ATOM 0 HG3 LYS A 71 1.133 -10.651 -3.890 1.00 44.20 H new ATOM 0 HD2 LYS A 71 -1.749 -11.337 -4.534 1.00 43.54 H new ATOM 0 HD3 LYS A 71 -0.975 -9.947 -5.269 1.00 43.54 H new ATOM 0 HE2 LYS A 71 0.246 -12.725 -5.367 1.00 3.22 H new ATOM 0 HE3 LYS A 71 -0.890 -12.159 -6.575 1.00 3.22 H new ATOM 0 HZ1 LYS A 71 1.650 -11.864 -6.930 1.00 3.41 H new ATOM 0 HZ2 LYS A 71 0.589 -10.621 -7.392 1.00 3.41 H new ATOM 0 HZ3 LYS A 71 1.462 -10.497 -5.940 1.00 3.41 H new ATOM 1089 N LEU A 72 -2.852 -12.287 -1.789 1.00 22.03 N ATOM 1090 CA LEU A 72 -4.292 -12.194 -1.997 1.00 45.25 C ATOM 1091 C LEU A 72 -4.995 -11.606 -0.774 1.00 35.13 C ATOM 1092 O LEU A 72 -5.839 -10.724 -0.904 1.00 64.12 O ATOM 1093 CB LEU A 72 -4.869 -13.576 -2.317 1.00 55.23 C ATOM 1094 CG LEU A 72 -4.304 -14.241 -3.574 1.00 73.43 C ATOM 1095 CD1 LEU A 72 -4.868 -15.645 -3.731 1.00 25.33 C ATOM 1096 CD2 LEU A 72 -4.610 -13.403 -4.809 1.00 1.34 C ATOM 0 H LEU A 72 -2.474 -13.225 -1.923 1.00 22.03 H new ATOM 0 HA LEU A 72 -4.465 -11.526 -2.840 1.00 45.25 H new ATOM 0 HB2 LEU A 72 -4.690 -14.233 -1.466 1.00 55.23 H new ATOM 0 HB3 LEU A 72 -5.949 -13.485 -2.428 1.00 55.23 H new ATOM 0 HG LEU A 72 -3.222 -14.312 -3.468 1.00 73.43 H new ATOM 0 HD11 LEU A 72 -4.456 -16.104 -4.630 1.00 25.33 H new ATOM 0 HD12 LEU A 72 -4.599 -16.245 -2.861 1.00 25.33 H new ATOM 0 HD13 LEU A 72 -5.954 -15.594 -3.815 1.00 25.33 H new ATOM 0 HD21 LEU A 72 -4.200 -13.893 -5.692 1.00 1.34 H new ATOM 0 HD22 LEU A 72 -5.689 -13.299 -4.920 1.00 1.34 H new ATOM 0 HD23 LEU A 72 -4.160 -12.416 -4.700 1.00 1.34 H new ATOM 1108 N ILE A 73 -4.636 -12.095 0.411 1.00 24.44 N ATOM 1109 CA ILE A 73 -5.237 -11.618 1.658 1.00 2.13 C ATOM 1110 C ILE A 73 -4.999 -10.118 1.849 1.00 20.13 C ATOM 1111 O ILE A 73 -5.907 -9.375 2.235 1.00 63.21 O ATOM 1112 CB ILE A 73 -4.677 -12.386 2.880 1.00 30.21 C ATOM 1113 CG1 ILE A 73 -4.993 -13.881 2.763 1.00 41.04 C ATOM 1114 CG2 ILE A 73 -5.243 -11.826 4.178 1.00 14.11 C ATOM 1115 CD1 ILE A 73 -4.395 -14.724 3.873 1.00 74.05 C ATOM 0 H ILE A 73 -3.931 -12.822 0.536 1.00 24.44 H new ATOM 0 HA ILE A 73 -6.309 -11.801 1.586 1.00 2.13 H new ATOM 0 HB ILE A 73 -3.595 -12.257 2.895 1.00 30.21 H new ATOM 0 HG12 ILE A 73 -6.075 -14.015 2.761 1.00 41.04 H new ATOM 0 HG13 ILE A 73 -4.625 -14.246 1.804 1.00 41.04 H new ATOM 0 HG21 ILE A 73 -4.835 -12.382 5.022 1.00 14.11 H new ATOM 0 HG22 ILE A 73 -4.971 -10.775 4.270 1.00 14.11 H new ATOM 0 HG23 ILE A 73 -6.329 -11.920 4.172 1.00 14.11 H new ATOM 0 HD11 ILE A 73 -4.663 -15.770 3.720 1.00 74.05 H new ATOM 0 HD12 ILE A 73 -3.310 -14.622 3.863 1.00 74.05 H new ATOM 0 HD13 ILE A 73 -4.782 -14.387 4.835 1.00 74.05 H new ATOM 1127 N PHE A 74 -3.778 -9.680 1.570 1.00 52.35 N ATOM 1128 CA PHE A 74 -3.424 -8.272 1.692 1.00 22.31 C ATOM 1129 C PHE A 74 -4.181 -7.441 0.662 1.00 55.33 C ATOM 1130 O PHE A 74 -4.809 -6.440 1.005 1.00 64.33 O ATOM 1131 CB PHE A 74 -1.912 -8.092 1.516 1.00 75.11 C ATOM 1132 CG PHE A 74 -1.434 -6.678 1.696 1.00 61.32 C ATOM 1133 CD1 PHE A 74 -1.221 -6.162 2.963 1.00 41.03 C ATOM 1134 CD2 PHE A 74 -1.189 -5.869 0.596 1.00 52.12 C ATOM 1135 CE1 PHE A 74 -0.773 -4.865 3.131 1.00 73.41 C ATOM 1136 CE2 PHE A 74 -0.744 -4.571 0.759 1.00 15.54 C ATOM 1137 CZ PHE A 74 -0.535 -4.068 2.028 1.00 53.13 C ATOM 0 H PHE A 74 -3.015 -10.281 1.257 1.00 52.35 H new ATOM 0 HA PHE A 74 -3.705 -7.926 2.687 1.00 22.31 H new ATOM 0 HB2 PHE A 74 -1.396 -8.732 2.232 1.00 75.11 H new ATOM 0 HB3 PHE A 74 -1.630 -8.435 0.520 1.00 75.11 H new ATOM 0 HD1 PHE A 74 -1.407 -6.779 3.829 1.00 41.03 H new ATOM 0 HD2 PHE A 74 -1.348 -6.258 -0.399 1.00 52.12 H new ATOM 0 HE1 PHE A 74 -0.609 -4.475 4.125 1.00 73.41 H new ATOM 0 HE2 PHE A 74 -0.560 -3.950 -0.105 1.00 15.54 H new ATOM 0 HZ PHE A 74 -0.186 -3.054 2.158 1.00 53.13 H new ATOM 1147 N GLU A 75 -4.132 -7.873 -0.592 1.00 32.42 N ATOM 1148 CA GLU A 75 -4.815 -7.176 -1.676 1.00 64.43 C ATOM 1149 C GLU A 75 -6.319 -7.085 -1.420 1.00 11.51 C ATOM 1150 O GLU A 75 -6.927 -6.044 -1.663 1.00 43.11 O ATOM 1151 CB GLU A 75 -4.538 -7.868 -3.011 1.00 44.02 C ATOM 1152 CG GLU A 75 -3.172 -7.535 -3.596 1.00 61.12 C ATOM 1153 CD GLU A 75 -3.089 -6.100 -4.085 1.00 3.13 C ATOM 1154 OE1 GLU A 75 -3.568 -5.825 -5.209 1.00 31.10 O ATOM 1155 OE2 GLU A 75 -2.567 -5.238 -3.351 1.00 22.21 O ATOM 0 H GLU A 75 -3.624 -8.707 -0.885 1.00 32.42 H new ATOM 0 HA GLU A 75 -4.424 -6.159 -1.720 1.00 64.43 H new ATOM 0 HB2 GLU A 75 -4.613 -8.947 -2.874 1.00 44.02 H new ATOM 0 HB3 GLU A 75 -5.310 -7.583 -3.726 1.00 44.02 H new ATOM 0 HG2 GLU A 75 -2.405 -7.704 -2.841 1.00 61.12 H new ATOM 0 HG3 GLU A 75 -2.959 -8.211 -4.424 1.00 61.12 H new ATOM 1162 N LEU A 76 -6.907 -8.166 -0.914 1.00 42.01 N ATOM 1163 CA LEU A 76 -8.321 -8.198 -0.593 1.00 32.34 C ATOM 1164 C LEU A 76 -8.683 -7.102 0.406 1.00 61.31 C ATOM 1165 O LEU A 76 -9.649 -6.359 0.215 1.00 73.03 O ATOM 1166 CB LEU A 76 -8.673 -9.575 -0.031 1.00 13.12 C ATOM 1167 CG LEU A 76 -9.109 -10.616 -1.063 1.00 32.11 C ATOM 1168 CD1 LEU A 76 -9.366 -11.954 -0.388 1.00 14.41 C ATOM 1169 CD2 LEU A 76 -10.351 -10.146 -1.804 1.00 44.14 C ATOM 0 H LEU A 76 -6.415 -9.038 -0.718 1.00 42.01 H new ATOM 0 HA LEU A 76 -8.896 -8.016 -1.501 1.00 32.34 H new ATOM 0 HB2 LEU A 76 -7.806 -9.962 0.505 1.00 13.12 H new ATOM 0 HB3 LEU A 76 -9.473 -9.456 0.700 1.00 13.12 H new ATOM 0 HG LEU A 76 -8.305 -10.742 -1.788 1.00 32.11 H new ATOM 0 HD11 LEU A 76 -9.676 -12.685 -1.135 1.00 14.41 H new ATOM 0 HD12 LEU A 76 -8.453 -12.297 0.099 1.00 14.41 H new ATOM 0 HD13 LEU A 76 -10.154 -11.840 0.357 1.00 14.41 H new ATOM 0 HD21 LEU A 76 -10.646 -10.900 -2.534 1.00 44.14 H new ATOM 0 HD22 LEU A 76 -11.163 -9.992 -1.093 1.00 44.14 H new ATOM 0 HD23 LEU A 76 -10.136 -9.209 -2.317 1.00 44.14 H new ATOM 1181 N LYS A 77 -7.890 -6.993 1.459 1.00 23.01 N ATOM 1182 CA LYS A 77 -8.109 -5.975 2.474 1.00 10.33 C ATOM 1183 C LYS A 77 -7.829 -4.585 1.919 1.00 31.41 C ATOM 1184 O LYS A 77 -8.532 -3.627 2.236 1.00 63.32 O ATOM 1185 CB LYS A 77 -7.238 -6.264 3.696 1.00 62.01 C ATOM 1186 CG LYS A 77 -7.774 -7.415 4.522 1.00 15.04 C ATOM 1187 CD LYS A 77 -6.816 -7.838 5.617 1.00 53.41 C ATOM 1188 CE LYS A 77 -7.407 -8.967 6.444 1.00 54.13 C ATOM 1189 NZ LYS A 77 -7.874 -10.095 5.590 1.00 35.13 N ATOM 0 H LYS A 77 -7.087 -7.598 1.634 1.00 23.01 H new ATOM 0 HA LYS A 77 -9.155 -6.002 2.778 1.00 10.33 H new ATOM 0 HB2 LYS A 77 -6.224 -6.494 3.371 1.00 62.01 H new ATOM 0 HB3 LYS A 77 -7.178 -5.370 4.317 1.00 62.01 H new ATOM 0 HG2 LYS A 77 -8.726 -7.126 4.968 1.00 15.04 H new ATOM 0 HG3 LYS A 77 -7.973 -8.265 3.869 1.00 15.04 H new ATOM 0 HD2 LYS A 77 -5.872 -8.159 5.177 1.00 53.41 H new ATOM 0 HD3 LYS A 77 -6.594 -6.987 6.261 1.00 53.41 H new ATOM 0 HE2 LYS A 77 -6.659 -9.331 7.149 1.00 54.13 H new ATOM 0 HE3 LYS A 77 -8.242 -8.587 7.033 1.00 54.13 H new ATOM 0 HZ1 LYS A 77 -7.726 -10.994 6.091 1.00 35.13 H new ATOM 0 HZ2 LYS A 77 -8.886 -9.977 5.382 1.00 35.13 H new ATOM 0 HZ3 LYS A 77 -7.336 -10.102 4.700 1.00 35.13 H new ATOM 1203 N THR A 78 -6.821 -4.492 1.065 1.00 34.44 N ATOM 1204 CA THR A 78 -6.462 -3.229 0.440 1.00 23.12 C ATOM 1205 C THR A 78 -7.594 -2.711 -0.457 1.00 65.23 C ATOM 1206 O THR A 78 -7.796 -1.502 -0.577 1.00 41.43 O ATOM 1207 CB THR A 78 -5.163 -3.367 -0.375 1.00 1.51 C ATOM 1208 OG1 THR A 78 -4.124 -3.895 0.459 1.00 62.23 O ATOM 1209 CG2 THR A 78 -4.722 -2.024 -0.931 1.00 2.10 C ATOM 0 H THR A 78 -6.235 -5.280 0.788 1.00 34.44 H new ATOM 0 HA THR A 78 -6.298 -2.505 1.238 1.00 23.12 H new ATOM 0 HB THR A 78 -5.355 -4.044 -1.208 1.00 1.51 H new ATOM 0 HG1 THR A 78 -4.279 -4.851 0.609 1.00 62.23 H new ATOM 0 HG21 THR A 78 -3.802 -2.151 -1.502 1.00 2.10 H new ATOM 0 HG22 THR A 78 -5.501 -1.626 -1.581 1.00 2.10 H new ATOM 0 HG23 THR A 78 -4.546 -1.330 -0.109 1.00 2.10 H new ATOM 1217 N ARG A 79 -8.340 -3.626 -1.071 1.00 11.14 N ATOM 1218 CA ARG A 79 -9.480 -3.263 -1.891 1.00 41.41 C ATOM 1219 C ARG A 79 -10.501 -2.463 -1.083 1.00 55.15 C ATOM 1220 O ARG A 79 -11.043 -1.463 -1.563 1.00 52.42 O ATOM 1221 CB ARG A 79 -10.147 -4.518 -2.453 1.00 55.13 C ATOM 1222 CG ARG A 79 -9.284 -5.351 -3.396 1.00 73.30 C ATOM 1223 CD ARG A 79 -8.839 -4.574 -4.630 1.00 10.31 C ATOM 1224 NE ARG A 79 -7.743 -3.649 -4.337 1.00 51.15 N ATOM 1225 CZ ARG A 79 -6.456 -3.947 -4.508 1.00 44.51 C ATOM 1226 NH1 ARG A 79 -6.102 -5.121 -5.010 1.00 61.43 N ATOM 1227 NH2 ARG A 79 -5.523 -3.057 -4.194 1.00 0.53 N ATOM 0 H ARG A 79 -8.169 -4.630 -1.012 1.00 11.14 H new ATOM 0 HA ARG A 79 -9.120 -2.643 -2.712 1.00 41.41 H new ATOM 0 HB2 ARG A 79 -10.457 -5.148 -1.620 1.00 55.13 H new ATOM 0 HB3 ARG A 79 -11.052 -4.222 -2.983 1.00 55.13 H new ATOM 0 HG2 ARG A 79 -8.404 -5.705 -2.859 1.00 73.30 H new ATOM 0 HG3 ARG A 79 -9.843 -6.233 -3.709 1.00 73.30 H new ATOM 0 HD2 ARG A 79 -8.524 -5.274 -5.404 1.00 10.31 H new ATOM 0 HD3 ARG A 79 -9.685 -4.016 -5.030 1.00 10.31 H new ATOM 0 HE ARG A 79 -7.978 -2.722 -3.981 1.00 51.15 H new ATOM 0 HH11 ARG A 79 -6.816 -5.802 -5.268 1.00 61.43 H new ATOM 0 HH12 ARG A 79 -5.115 -5.344 -5.139 1.00 61.43 H new ATOM 0 HH21 ARG A 79 -5.792 -2.146 -3.822 1.00 0.53 H new ATOM 0 HH22 ARG A 79 -4.537 -3.284 -4.324 1.00 0.53 H new ATOM 1241 N SER A 80 -10.762 -2.918 0.135 1.00 23.40 N ATOM 1242 CA SER A 80 -11.750 -2.303 0.992 1.00 4.41 C ATOM 1243 C SER A 80 -11.180 -1.103 1.744 1.00 21.33 C ATOM 1244 O SER A 80 -11.858 -0.093 1.918 1.00 32.53 O ATOM 1245 CB SER A 80 -12.264 -3.350 1.974 1.00 72.40 C ATOM 1246 OG SER A 80 -12.765 -4.489 1.290 1.00 71.35 O ATOM 0 H SER A 80 -10.292 -3.723 0.550 1.00 23.40 H new ATOM 0 HA SER A 80 -12.568 -1.932 0.374 1.00 4.41 H new ATOM 0 HB2 SER A 80 -11.459 -3.650 2.645 1.00 72.40 H new ATOM 0 HB3 SER A 80 -13.051 -2.918 2.592 1.00 72.40 H new ATOM 0 HG SER A 80 -13.087 -5.146 1.942 1.00 71.35 H new ATOM 1252 N LEU A 81 -9.931 -1.214 2.176 1.00 74.21 N ATOM 1253 CA LEU A 81 -9.294 -0.170 2.946 1.00 14.21 C ATOM 1254 C LEU A 81 -9.050 1.068 2.087 1.00 2.02 C ATOM 1255 O LEU A 81 -9.267 2.197 2.527 1.00 4.50 O ATOM 1256 CB LEU A 81 -7.979 -0.698 3.518 1.00 51.20 C ATOM 1257 CG LEU A 81 -6.991 0.376 3.937 1.00 13.14 C ATOM 1258 CD1 LEU A 81 -7.496 1.133 5.158 1.00 74.43 C ATOM 1259 CD2 LEU A 81 -5.618 -0.223 4.199 1.00 14.32 C ATOM 0 H LEU A 81 -9.340 -2.027 2.001 1.00 74.21 H new ATOM 0 HA LEU A 81 -9.952 0.122 3.765 1.00 14.21 H new ATOM 0 HB2 LEU A 81 -8.200 -1.325 4.382 1.00 51.20 H new ATOM 0 HB3 LEU A 81 -7.505 -1.337 2.773 1.00 51.20 H new ATOM 0 HG LEU A 81 -6.897 1.087 3.116 1.00 13.14 H new ATOM 0 HD11 LEU A 81 -6.771 1.897 5.438 1.00 74.43 H new ATOM 0 HD12 LEU A 81 -8.449 1.607 4.924 1.00 74.43 H new ATOM 0 HD13 LEU A 81 -7.630 0.438 5.987 1.00 74.43 H new ATOM 0 HD21 LEU A 81 -4.928 0.566 4.498 1.00 14.32 H new ATOM 0 HD22 LEU A 81 -5.690 -0.963 4.996 1.00 14.32 H new ATOM 0 HD23 LEU A 81 -5.251 -0.702 3.291 1.00 14.32 H new ATOM 1271 N ALA A 82 -8.628 0.847 0.855 1.00 32.32 N ATOM 1272 CA ALA A 82 -8.332 1.941 -0.059 1.00 3.13 C ATOM 1273 C ALA A 82 -9.571 2.309 -0.860 1.00 61.40 C ATOM 1274 O ALA A 82 -9.493 2.601 -2.055 1.00 51.52 O ATOM 1275 CB ALA A 82 -7.190 1.559 -0.983 1.00 2.01 C ATOM 0 H ALA A 82 -8.481 -0.082 0.461 1.00 32.32 H new ATOM 0 HA ALA A 82 -8.028 2.812 0.522 1.00 3.13 H new ATOM 0 HB1 ALA A 82 -6.979 2.386 -1.661 1.00 2.01 H new ATOM 0 HB2 ALA A 82 -6.301 1.339 -0.391 1.00 2.01 H new ATOM 0 HB3 ALA A 82 -7.469 0.678 -1.561 1.00 2.01 H new ATOM 1281 N ARG A 83 -10.712 2.302 -0.187 1.00 73.13 N ATOM 1282 CA ARG A 83 -11.981 2.600 -0.823 1.00 73.44 C ATOM 1283 C ARG A 83 -12.076 4.082 -1.158 1.00 10.32 C ATOM 1284 O ARG A 83 -12.283 4.448 -2.315 1.00 55.12 O ATOM 1285 CB ARG A 83 -13.135 2.193 0.094 1.00 0.23 C ATOM 1286 CG ARG A 83 -14.498 2.225 -0.579 1.00 40.50 C ATOM 1287 CD ARG A 83 -15.612 1.887 0.399 1.00 24.35 C ATOM 1288 NE ARG A 83 -15.322 0.679 1.167 1.00 72.30 N ATOM 1289 CZ ARG A 83 -15.758 -0.538 0.844 1.00 12.11 C ATOM 1290 NH1 ARG A 83 -16.510 -0.724 -0.235 1.00 54.20 N ATOM 1291 NH2 ARG A 83 -15.442 -1.573 1.607 1.00 53.25 N ATOM 0 H ARG A 83 -10.782 2.091 0.808 1.00 73.13 H new ATOM 0 HA ARG A 83 -12.047 2.031 -1.750 1.00 73.44 H new ATOM 0 HB2 ARG A 83 -12.950 1.187 0.470 1.00 0.23 H new ATOM 0 HB3 ARG A 83 -13.152 2.858 0.958 1.00 0.23 H new ATOM 0 HG2 ARG A 83 -14.672 3.214 -1.003 1.00 40.50 H new ATOM 0 HG3 ARG A 83 -14.512 1.516 -1.407 1.00 40.50 H new ATOM 0 HD2 ARG A 83 -15.760 2.723 1.082 1.00 24.35 H new ATOM 0 HD3 ARG A 83 -16.545 1.753 -0.148 1.00 24.35 H new ATOM 0 HE ARG A 83 -14.748 0.773 2.005 1.00 72.30 H new ATOM 0 HH11 ARG A 83 -16.759 0.069 -0.826 1.00 54.20 H new ATOM 0 HH12 ARG A 83 -16.838 -1.660 -0.473 1.00 54.20 H new ATOM 0 HH21 ARG A 83 -14.867 -1.437 2.438 1.00 53.25 H new ATOM 0 HH22 ARG A 83 -15.774 -2.506 1.363 1.00 53.25 H new ATOM 1305 N LEU A 84 -11.900 4.918 -0.132 1.00 22.11 N ATOM 1306 CA LEU A 84 -12.040 6.365 -0.245 1.00 1.53 C ATOM 1307 C LEU A 84 -13.430 6.742 -0.745 1.00 44.10 C ATOM 1308 O LEU A 84 -13.652 7.843 -1.253 1.00 22.05 O ATOM 1309 CB LEU A 84 -10.977 6.921 -1.177 1.00 40.12 C ATOM 1310 CG LEU A 84 -9.533 6.562 -0.822 1.00 32.32 C ATOM 1311 CD1 LEU A 84 -8.578 7.075 -1.888 1.00 4.03 C ATOM 1312 CD2 LEU A 84 -9.161 7.126 0.541 1.00 61.03 C ATOM 0 H LEU A 84 -11.654 4.603 0.807 1.00 22.11 H new ATOM 0 HA LEU A 84 -11.907 6.800 0.746 1.00 1.53 H new ATOM 0 HB2 LEU A 84 -11.183 6.566 -2.187 1.00 40.12 H new ATOM 0 HB3 LEU A 84 -11.068 8.007 -1.196 1.00 40.12 H new ATOM 0 HG LEU A 84 -9.451 5.476 -0.779 1.00 32.32 H new ATOM 0 HD11 LEU A 84 -7.556 6.810 -1.618 1.00 4.03 H new ATOM 0 HD12 LEU A 84 -8.828 6.624 -2.848 1.00 4.03 H new ATOM 0 HD13 LEU A 84 -8.664 8.159 -1.963 1.00 4.03 H new ATOM 0 HD21 LEU A 84 -8.130 6.860 0.776 1.00 61.03 H new ATOM 0 HD22 LEU A 84 -9.261 8.211 0.525 1.00 61.03 H new ATOM 0 HD23 LEU A 84 -9.825 6.711 1.300 1.00 61.03 H new ATOM 1324 N GLU A 85 -14.355 5.815 -0.546 1.00 50.05 N ATOM 1325 CA GLU A 85 -15.702 5.880 -1.108 1.00 53.51 C ATOM 1326 C GLU A 85 -15.661 6.075 -2.623 1.00 73.52 C ATOM 1327 O GLU A 85 -14.583 6.106 -3.223 1.00 22.00 O ATOM 1328 CB GLU A 85 -16.543 6.952 -0.416 1.00 63.33 C ATOM 1329 CG GLU A 85 -16.793 6.634 1.049 1.00 52.25 C ATOM 1330 CD GLU A 85 -18.047 7.281 1.588 1.00 44.33 C ATOM 1331 OE1 GLU A 85 -19.147 6.736 1.352 1.00 41.20 O ATOM 1332 OE2 GLU A 85 -17.941 8.326 2.264 1.00 43.24 O ATOM 0 H GLU A 85 -14.191 4.982 0.019 1.00 50.05 H new ATOM 0 HA GLU A 85 -16.188 4.923 -0.920 1.00 53.51 H new ATOM 0 HB2 GLU A 85 -16.037 7.914 -0.495 1.00 63.33 H new ATOM 0 HB3 GLU A 85 -17.498 7.050 -0.932 1.00 63.33 H new ATOM 0 HG2 GLU A 85 -16.866 5.554 1.173 1.00 52.25 H new ATOM 0 HG3 GLU A 85 -15.938 6.965 1.638 1.00 52.25 H new ATOM 1339 N HIS A 86 -16.840 6.177 -3.239 1.00 11.51 N ATOM 1340 CA HIS A 86 -16.963 6.192 -4.702 1.00 3.44 C ATOM 1341 C HIS A 86 -16.595 4.810 -5.259 1.00 73.22 C ATOM 1342 O HIS A 86 -17.465 4.095 -5.755 1.00 70.12 O ATOM 1343 CB HIS A 86 -16.094 7.310 -5.310 1.00 60.03 C ATOM 1344 CG HIS A 86 -16.088 7.373 -6.808 1.00 22.24 C ATOM 1345 ND1 HIS A 86 -14.929 7.486 -7.543 1.00 32.14 N ATOM 1346 CD2 HIS A 86 -17.099 7.374 -7.705 1.00 1.00 C ATOM 1347 CE1 HIS A 86 -15.226 7.547 -8.825 1.00 43.21 C ATOM 1348 NE2 HIS A 86 -16.538 7.486 -8.954 1.00 40.32 N ATOM 0 H HIS A 86 -17.730 6.251 -2.746 1.00 11.51 H new ATOM 0 HA HIS A 86 -17.995 6.407 -4.980 1.00 3.44 H new ATOM 0 HB2 HIS A 86 -16.441 8.268 -4.924 1.00 60.03 H new ATOM 0 HB3 HIS A 86 -15.069 7.180 -4.964 1.00 60.03 H new ATOM 0 HD2 HIS A 86 -18.153 7.300 -7.481 1.00 1.00 H new ATOM 0 HE1 HIS A 86 -14.516 7.633 -9.634 1.00 43.21 H new ATOM 0 HE2 HIS A 86 -17.051 7.517 -9.835 1.00 40.32 H new ATOM 1357 N HIS A 87 -15.309 4.459 -5.155 1.00 1.40 N ATOM 1358 CA HIS A 87 -14.801 3.107 -5.429 1.00 0.02 C ATOM 1359 C HIS A 87 -15.167 2.606 -6.831 1.00 12.33 C ATOM 1360 O HIS A 87 -16.273 2.120 -7.063 1.00 43.24 O ATOM 1361 CB HIS A 87 -15.329 2.129 -4.370 1.00 41.03 C ATOM 1362 CG HIS A 87 -14.495 0.893 -4.202 1.00 51.40 C ATOM 1363 ND1 HIS A 87 -13.281 0.719 -3.631 1.00 73.44 N flip ATOM 1364 CD2 HIS A 87 -14.903 -0.355 -4.613 1.00 2.22 C flip ATOM 1365 CE1 HIS A 87 -12.981 -0.619 -3.700 1.00 21.42 C flip ATOM 1366 NE2 HIS A 87 -13.978 -1.242 -4.300 1.00 12.22 N flip ATOM 0 H HIS A 87 -14.580 5.114 -4.874 1.00 1.40 H new ATOM 0 HA HIS A 87 -13.713 3.159 -5.384 1.00 0.02 H new ATOM 0 HB2 HIS A 87 -15.389 2.646 -3.412 1.00 41.03 H new ATOM 0 HB3 HIS A 87 -16.344 1.835 -4.637 1.00 41.03 H new ATOM 0 HD2 HIS A 87 -15.835 -0.574 -5.113 1.00 2.22 H new ATOM 0 HE1 HIS A 87 -12.081 -1.084 -3.326 1.00 21.42 H new ATOM 0 HE2 HIS A 87 -14.025 -2.243 -4.490 1.00 12.22 H new ATOM 1375 N HIS A 88 -14.225 2.702 -7.759 1.00 4.05 N ATOM 1376 CA HIS A 88 -14.457 2.232 -9.121 1.00 4.21 C ATOM 1377 C HIS A 88 -14.420 0.706 -9.190 1.00 35.12 C ATOM 1378 O HIS A 88 -13.363 0.088 -9.069 1.00 11.12 O ATOM 1379 CB HIS A 88 -13.455 2.849 -10.114 1.00 54.13 C ATOM 1380 CG HIS A 88 -12.010 2.814 -9.685 1.00 74.04 C ATOM 1381 ND1 HIS A 88 -11.152 1.777 -9.982 1.00 52.33 N ATOM 1382 CD2 HIS A 88 -11.266 3.725 -9.015 1.00 35.14 C ATOM 1383 CE1 HIS A 88 -9.949 2.055 -9.518 1.00 42.32 C ATOM 1384 NE2 HIS A 88 -9.988 3.233 -8.926 1.00 65.31 N ATOM 0 H HIS A 88 -13.299 3.098 -7.597 1.00 4.05 H new ATOM 0 HA HIS A 88 -15.454 2.562 -9.412 1.00 4.21 H new ATOM 0 HB2 HIS A 88 -13.546 2.327 -11.066 1.00 54.13 H new ATOM 0 HB3 HIS A 88 -13.738 3.887 -10.291 1.00 54.13 H new ATOM 0 HD2 HIS A 88 -11.615 4.668 -8.622 1.00 35.14 H new ATOM 0 HE1 HIS A 88 -9.078 1.423 -9.608 1.00 42.32 H new ATOM 0 HE2 HIS A 88 -9.200 3.700 -8.477 1.00 65.31 H new ATOM 1393 N HIS A 89 -15.589 0.107 -9.369 1.00 41.24 N ATOM 1394 CA HIS A 89 -15.702 -1.343 -9.458 1.00 33.33 C ATOM 1395 C HIS A 89 -15.756 -1.766 -10.920 1.00 14.11 C ATOM 1396 O HIS A 89 -16.358 -1.080 -11.743 1.00 54.13 O ATOM 1397 CB HIS A 89 -16.958 -1.825 -8.720 1.00 64.41 C ATOM 1398 CG HIS A 89 -17.064 -3.316 -8.606 1.00 40.20 C ATOM 1399 ND1 HIS A 89 -17.996 -4.061 -9.295 1.00 52.43 N ATOM 1400 CD2 HIS A 89 -16.357 -4.196 -7.863 1.00 2.24 C ATOM 1401 CE1 HIS A 89 -17.853 -5.335 -8.982 1.00 63.03 C ATOM 1402 NE2 HIS A 89 -16.863 -5.444 -8.114 1.00 3.34 N ATOM 0 H HIS A 89 -16.475 0.604 -9.456 1.00 41.24 H new ATOM 0 HA HIS A 89 -14.829 -1.796 -8.988 1.00 33.33 H new ATOM 0 HB2 HIS A 89 -16.967 -1.393 -7.719 1.00 64.41 H new ATOM 0 HB3 HIS A 89 -17.839 -1.447 -9.239 1.00 64.41 H new ATOM 0 HD2 HIS A 89 -15.543 -3.959 -7.194 1.00 2.24 H new ATOM 0 HE1 HIS A 89 -18.445 -6.151 -9.370 1.00 63.03 H new ATOM 0 HE2 HIS A 89 -16.530 -6.314 -7.699 1.00 3.34 H new ATOM 1411 N HIS A 90 -15.105 -2.870 -11.248 1.00 51.35 N ATOM 1412 CA HIS A 90 -15.109 -3.373 -12.614 1.00 23.43 C ATOM 1413 C HIS A 90 -15.820 -4.711 -12.711 1.00 74.11 C ATOM 1414 O HIS A 90 -15.310 -5.734 -12.248 1.00 72.32 O ATOM 1415 CB HIS A 90 -13.684 -3.500 -13.152 1.00 13.53 C ATOM 1416 CG HIS A 90 -13.075 -2.193 -13.540 1.00 32.23 C ATOM 1417 ND1 HIS A 90 -13.365 -1.553 -14.723 1.00 33.13 N ATOM 1418 CD2 HIS A 90 -12.193 -1.401 -12.894 1.00 63.32 C ATOM 1419 CE1 HIS A 90 -12.686 -0.426 -14.790 1.00 50.01 C ATOM 1420 NE2 HIS A 90 -11.967 -0.308 -13.692 1.00 75.22 N ATOM 0 H HIS A 90 -14.568 -3.435 -10.590 1.00 51.35 H new ATOM 0 HA HIS A 90 -15.653 -2.651 -13.223 1.00 23.43 H new ATOM 0 HB2 HIS A 90 -13.059 -3.972 -12.394 1.00 13.53 H new ATOM 0 HB3 HIS A 90 -13.689 -4.161 -14.019 1.00 13.53 H new ATOM 0 HD2 HIS A 90 -11.748 -1.592 -11.929 1.00 63.32 H new ATOM 0 HE1 HIS A 90 -12.714 0.281 -15.606 1.00 50.01 H new ATOM 0 HE2 HIS A 90 -11.344 0.469 -13.471 1.00 75.22 H new ATOM 1429 N HIS A 91 -17.009 -4.686 -13.296 1.00 11.31 N ATOM 1430 CA HIS A 91 -17.779 -5.891 -13.565 1.00 33.13 C ATOM 1431 C HIS A 91 -19.031 -5.529 -14.350 1.00 51.44 C ATOM 1432 O HIS A 91 -19.989 -5.026 -13.733 1.00 38.14 O ATOM 1433 CB HIS A 91 -18.170 -6.618 -12.271 1.00 60.34 C ATOM 1434 CG HIS A 91 -18.934 -7.886 -12.508 1.00 0.24 C ATOM 1435 ND1 HIS A 91 -19.998 -8.284 -11.732 1.00 3.34 N ATOM 1436 CD2 HIS A 91 -18.786 -8.841 -13.455 1.00 52.52 C ATOM 1437 CE1 HIS A 91 -20.470 -9.427 -12.191 1.00 42.44 C ATOM 1438 NE2 HIS A 91 -19.754 -9.788 -13.238 1.00 15.43 N ATOM 1439 OXT HIS A 91 -19.049 -5.740 -15.575 1.00 38.14 O ATOM 0 H HIS A 91 -17.468 -3.827 -13.598 1.00 11.31 H new ATOM 0 HA HIS A 91 -17.154 -6.566 -14.149 1.00 33.13 H new ATOM 0 HB2 HIS A 91 -17.267 -6.847 -11.705 1.00 60.34 H new ATOM 0 HB3 HIS A 91 -18.772 -5.950 -11.655 1.00 60.34 H new ATOM 0 HD2 HIS A 91 -18.042 -8.855 -14.238 1.00 52.52 H new ATOM 0 HE1 HIS A 91 -21.304 -9.976 -11.778 1.00 42.44 H new ATOM 0 HE2 HIS A 91 -19.896 -10.631 -13.794 1.00 15.43 H new TER 1448 HIS A 91