USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 728 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 39 ASN : amide:sc= -6.61! C(o=-6.1!,f=-9.6!) USER MOD Set 1.2: A 43 THR OG1 : rot 158:sc= 0.559 USER MOD Set 2.1: A 17 LYS NZ :NH3+ -153:sc= 0.166 (180deg=0) USER MOD Set 2.2: A 20 ASN : amide:sc= -3.55! C(o=-3.4!,f=-3.8!) USER MOD Single : A 1 GLY N :NH3+ 136:sc= 0.0144 (180deg=0) USER MOD Single : A 2 SER OG : rot 11:sc= 0.438 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 14:sc= 0.998 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 42:sc= 0.0664 USER MOD Single : A 13 ASN : amide:sc= -0.215 K(o=-0.21,f=-3.1!) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 28 MET CE :methyl 167:sc= -1.64 (180deg=-1.98) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.177 X(o=-0.18,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -108:sc= -1.39! (180deg=-3.5!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -0.0455 F(o=-0.69,f=-0.046) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.631 USER MOD Single : A 56 MET CE :methyl -122:sc= -3.31 (180deg=-7.52!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0847 X(o=-0.085,f=-0.085) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -171:sc= -0.95 (180deg=-0.967) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0536 USER MOD Single : A 82 SER OG : rot -121:sc= 0.231 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN :FLIP amide:sc= -2.96! C(o=-7.7!,f=-3!) USER MOD Single : A 96 LYS NZ :NH3+ 163:sc= -0.016 (180deg=-0.19) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 61.846 45.844 38.277 1.00 0.00 N ATOM 2 CA GLY A 1 61.202 44.733 37.601 1.00 0.00 C ATOM 3 C GLY A 1 59.905 45.137 36.928 1.00 0.00 C ATOM 4 O GLY A 1 59.156 45.961 37.453 1.00 0.00 O ATOM 0 H1 GLY A 1 62.182 45.534 39.211 1.00 0.00 H new ATOM 0 H2 GLY A 1 62.654 46.174 37.711 1.00 0.00 H new ATOM 0 H3 GLY A 1 61.165 46.621 38.394 1.00 0.00 H new ATOM 0 HA2 GLY A 1 61.882 44.322 36.855 1.00 0.00 H new ATOM 0 HA3 GLY A 1 61.002 43.940 38.321 1.00 0.00 H new ATOM 8 N SER A 2 59.639 44.557 35.762 1.00 0.00 N ATOM 9 CA SER A 2 58.427 44.866 35.014 1.00 0.00 C ATOM 10 C SER A 2 58.008 43.683 34.146 1.00 0.00 C ATOM 11 O SER A 2 58.741 42.702 34.018 1.00 0.00 O ATOM 12 CB SER A 2 58.642 46.103 34.139 1.00 0.00 C ATOM 13 OG SER A 2 58.614 47.287 34.916 1.00 0.00 O ATOM 0 H SER A 2 60.247 43.871 35.315 1.00 0.00 H new ATOM 0 HA SER A 2 57.631 45.070 35.730 1.00 0.00 H new ATOM 0 HB2 SER A 2 59.599 46.025 33.623 1.00 0.00 H new ATOM 0 HB3 SER A 2 57.869 46.149 33.372 1.00 0.00 H new ATOM 0 HG SER A 2 58.636 47.054 35.868 1.00 0.00 H new ATOM 19 N SER A 3 56.822 43.782 33.553 1.00 0.00 N ATOM 20 CA SER A 3 56.303 42.720 32.700 1.00 0.00 C ATOM 21 C SER A 3 55.508 43.299 31.533 1.00 0.00 C ATOM 22 O SER A 3 54.754 44.257 31.696 1.00 0.00 O ATOM 23 CB SER A 3 55.419 41.772 33.513 1.00 0.00 C ATOM 24 OG SER A 3 54.768 40.835 32.672 1.00 0.00 O ATOM 0 H SER A 3 56.203 44.587 33.648 1.00 0.00 H new ATOM 0 HA SER A 3 57.150 42.163 32.299 1.00 0.00 H new ATOM 0 HB2 SER A 3 56.026 41.245 34.249 1.00 0.00 H new ATOM 0 HB3 SER A 3 54.676 42.347 34.066 1.00 0.00 H new ATOM 0 HG SER A 3 54.211 40.240 33.215 1.00 0.00 H new ATOM 30 N GLY A 4 55.685 42.709 30.355 1.00 0.00 N ATOM 31 CA GLY A 4 54.979 43.179 29.177 1.00 0.00 C ATOM 32 C GLY A 4 54.669 42.060 28.202 1.00 0.00 C ATOM 33 O GLY A 4 55.149 40.938 28.361 1.00 0.00 O ATOM 0 H GLY A 4 56.304 41.914 30.195 1.00 0.00 H new ATOM 0 HA2 GLY A 4 54.049 43.659 29.482 1.00 0.00 H new ATOM 0 HA3 GLY A 4 55.580 43.938 28.676 1.00 0.00 H new ATOM 37 N SER A 5 53.862 42.366 27.191 1.00 0.00 N ATOM 38 CA SER A 5 53.484 41.376 26.189 1.00 0.00 C ATOM 39 C SER A 5 53.004 42.054 24.909 1.00 0.00 C ATOM 40 O SER A 5 52.325 43.079 24.954 1.00 0.00 O ATOM 41 CB SER A 5 52.387 40.459 26.736 1.00 0.00 C ATOM 42 OG SER A 5 52.914 39.538 27.675 1.00 0.00 O ATOM 0 H SER A 5 53.458 43.291 27.044 1.00 0.00 H new ATOM 0 HA SER A 5 54.365 40.778 25.955 1.00 0.00 H new ATOM 0 HB2 SER A 5 51.609 41.059 27.208 1.00 0.00 H new ATOM 0 HB3 SER A 5 51.918 39.917 25.914 1.00 0.00 H new ATOM 0 HG SER A 5 53.812 39.823 27.945 1.00 0.00 H new ATOM 48 N SER A 6 53.364 41.473 23.769 1.00 0.00 N ATOM 49 CA SER A 6 52.975 42.022 22.476 1.00 0.00 C ATOM 50 C SER A 6 51.957 41.118 21.786 1.00 0.00 C ATOM 51 O SER A 6 50.834 41.532 21.503 1.00 0.00 O ATOM 52 CB SER A 6 54.204 42.199 21.582 1.00 0.00 C ATOM 53 OG SER A 6 53.870 42.879 20.385 1.00 0.00 O ATOM 0 H SER A 6 53.924 40.622 23.715 1.00 0.00 H new ATOM 0 HA SER A 6 52.515 42.995 22.646 1.00 0.00 H new ATOM 0 HB2 SER A 6 54.971 42.757 22.119 1.00 0.00 H new ATOM 0 HB3 SER A 6 54.628 41.223 21.344 1.00 0.00 H new ATOM 0 HG SER A 6 54.673 42.981 19.832 1.00 0.00 H new ATOM 59 N GLY A 7 52.360 39.880 21.518 1.00 0.00 N ATOM 60 CA GLY A 7 51.473 38.936 20.864 1.00 0.00 C ATOM 61 C GLY A 7 51.420 39.135 19.362 1.00 0.00 C ATOM 62 O GLY A 7 51.712 40.222 18.863 1.00 0.00 O ATOM 0 H GLY A 7 53.285 39.514 21.742 1.00 0.00 H new ATOM 0 HA2 GLY A 7 51.804 37.921 21.081 1.00 0.00 H new ATOM 0 HA3 GLY A 7 50.469 39.039 21.277 1.00 0.00 H new ATOM 66 N MET A 8 51.049 38.083 18.640 1.00 0.00 N ATOM 67 CA MET A 8 50.959 38.148 17.186 1.00 0.00 C ATOM 68 C MET A 8 50.309 36.888 16.624 1.00 0.00 C ATOM 69 O MET A 8 50.025 35.944 17.362 1.00 0.00 O ATOM 70 CB MET A 8 52.350 38.333 16.576 1.00 0.00 C ATOM 71 CG MET A 8 53.281 37.155 16.817 1.00 0.00 C ATOM 72 SD MET A 8 53.172 35.907 15.520 1.00 0.00 S ATOM 73 CE MET A 8 54.742 36.142 14.691 1.00 0.00 C ATOM 0 H MET A 8 50.806 37.176 19.038 1.00 0.00 H new ATOM 0 HA MET A 8 50.337 39.004 16.924 1.00 0.00 H new ATOM 0 HB2 MET A 8 52.249 38.492 15.502 1.00 0.00 H new ATOM 0 HB3 MET A 8 52.803 39.234 16.990 1.00 0.00 H new ATOM 0 HG2 MET A 8 54.307 37.516 16.883 1.00 0.00 H new ATOM 0 HG3 MET A 8 53.041 36.698 17.777 1.00 0.00 H new ATOM 0 HE1 MET A 8 54.824 35.440 13.862 1.00 0.00 H new ATOM 0 HE2 MET A 8 54.804 37.162 14.311 1.00 0.00 H new ATOM 0 HE3 MET A 8 55.555 35.968 15.396 1.00 0.00 H new ATOM 83 N GLU A 9 50.075 36.881 15.316 1.00 0.00 N ATOM 84 CA GLU A 9 49.456 35.736 14.657 1.00 0.00 C ATOM 85 C GLU A 9 49.452 35.916 13.142 1.00 0.00 C ATOM 86 O GLU A 9 49.837 36.968 12.630 1.00 0.00 O ATOM 87 CB GLU A 9 48.025 35.541 15.162 1.00 0.00 C ATOM 88 CG GLU A 9 47.067 36.630 14.711 1.00 0.00 C ATOM 89 CD GLU A 9 45.614 36.259 14.935 1.00 0.00 C ATOM 90 OE1 GLU A 9 45.024 35.605 14.049 1.00 0.00 O ATOM 91 OE2 GLU A 9 45.066 36.622 15.997 1.00 0.00 O ATOM 0 H GLU A 9 50.304 37.654 14.692 1.00 0.00 H new ATOM 0 HA GLU A 9 50.043 34.850 14.898 1.00 0.00 H new ATOM 0 HB2 GLU A 9 47.655 34.576 14.815 1.00 0.00 H new ATOM 0 HB3 GLU A 9 48.035 35.506 16.251 1.00 0.00 H new ATOM 0 HG2 GLU A 9 47.290 37.551 15.250 1.00 0.00 H new ATOM 0 HG3 GLU A 9 47.227 36.834 13.652 1.00 0.00 H new ATOM 98 N LEU A 10 49.016 34.883 12.430 1.00 0.00 N ATOM 99 CA LEU A 10 48.962 34.926 10.973 1.00 0.00 C ATOM 100 C LEU A 10 47.882 33.990 10.440 1.00 0.00 C ATOM 101 O LEU A 10 47.839 32.810 10.790 1.00 0.00 O ATOM 102 CB LEU A 10 50.320 34.545 10.381 1.00 0.00 C ATOM 103 CG LEU A 10 50.911 33.217 10.857 1.00 0.00 C ATOM 104 CD1 LEU A 10 51.816 32.623 9.790 1.00 0.00 C ATOM 105 CD2 LEU A 10 51.673 33.409 12.160 1.00 0.00 C ATOM 0 H LEU A 10 48.695 34.005 12.838 1.00 0.00 H new ATOM 0 HA LEU A 10 48.715 35.944 10.673 1.00 0.00 H new ATOM 0 HB2 LEU A 10 50.224 34.509 9.296 1.00 0.00 H new ATOM 0 HB3 LEU A 10 51.030 35.339 10.611 1.00 0.00 H new ATOM 0 HG LEU A 10 50.092 32.521 11.038 1.00 0.00 H new ATOM 0 HD11 LEU A 10 52.227 31.679 10.146 1.00 0.00 H new ATOM 0 HD12 LEU A 10 51.241 32.448 8.881 1.00 0.00 H new ATOM 0 HD13 LEU A 10 52.630 33.316 9.576 1.00 0.00 H new ATOM 0 HD21 LEU A 10 52.087 32.454 12.484 1.00 0.00 H new ATOM 0 HD22 LEU A 10 52.483 34.122 12.006 1.00 0.00 H new ATOM 0 HD23 LEU A 10 50.996 33.789 12.925 1.00 0.00 H new ATOM 117 N THR A 11 47.010 34.524 9.590 1.00 0.00 N ATOM 118 CA THR A 11 45.931 33.737 9.008 1.00 0.00 C ATOM 119 C THR A 11 45.860 33.932 7.498 1.00 0.00 C ATOM 120 O THR A 11 45.777 35.060 7.011 1.00 0.00 O ATOM 121 CB THR A 11 44.569 34.107 9.626 1.00 0.00 C ATOM 122 OG1 THR A 11 44.387 35.527 9.596 1.00 0.00 O ATOM 123 CG2 THR A 11 44.472 33.608 11.060 1.00 0.00 C ATOM 0 H THR A 11 47.031 35.499 9.290 1.00 0.00 H new ATOM 0 HA THR A 11 46.150 32.692 9.227 1.00 0.00 H new ATOM 0 HB THR A 11 43.786 33.628 9.038 1.00 0.00 H new ATOM 0 HG1 THR A 11 44.691 35.878 8.733 1.00 0.00 H new ATOM 0 HG21 THR A 11 43.502 33.881 11.475 1.00 0.00 H new ATOM 0 HG22 THR A 11 44.582 32.524 11.076 1.00 0.00 H new ATOM 0 HG23 THR A 11 45.263 34.061 11.657 1.00 0.00 H new ATOM 131 N PHE A 12 45.893 32.827 6.760 1.00 0.00 N ATOM 132 CA PHE A 12 45.833 32.878 5.304 1.00 0.00 C ATOM 133 C PHE A 12 44.387 32.958 4.822 1.00 0.00 C ATOM 134 O PHE A 12 44.010 33.889 4.112 1.00 0.00 O ATOM 135 CB PHE A 12 46.516 31.648 4.702 1.00 0.00 C ATOM 136 CG PHE A 12 46.159 30.364 5.395 1.00 0.00 C ATOM 137 CD1 PHE A 12 46.819 29.979 6.551 1.00 0.00 C ATOM 138 CD2 PHE A 12 45.164 29.543 4.891 1.00 0.00 C ATOM 139 CE1 PHE A 12 46.493 28.798 7.190 1.00 0.00 C ATOM 140 CE2 PHE A 12 44.833 28.360 5.526 1.00 0.00 C ATOM 141 CZ PHE A 12 45.498 27.988 6.678 1.00 0.00 C ATOM 0 H PHE A 12 45.961 31.886 7.147 1.00 0.00 H new ATOM 0 HA PHE A 12 46.357 33.775 4.974 1.00 0.00 H new ATOM 0 HB2 PHE A 12 46.245 31.571 3.649 1.00 0.00 H new ATOM 0 HB3 PHE A 12 47.596 31.786 4.744 1.00 0.00 H new ATOM 0 HD1 PHE A 12 47.597 30.609 6.957 1.00 0.00 H new ATOM 0 HD2 PHE A 12 44.640 29.830 3.991 1.00 0.00 H new ATOM 0 HE1 PHE A 12 47.016 28.508 8.089 1.00 0.00 H new ATOM 0 HE2 PHE A 12 44.056 27.728 5.122 1.00 0.00 H new ATOM 0 HZ PHE A 12 45.241 27.066 7.177 1.00 0.00 H new ATOM 151 N ASN A 13 43.584 31.974 5.213 1.00 0.00 N ATOM 152 CA ASN A 13 42.180 31.932 4.820 1.00 0.00 C ATOM 153 C ASN A 13 42.024 32.212 3.328 1.00 0.00 C ATOM 154 O ASN A 13 41.151 32.977 2.919 1.00 0.00 O ATOM 155 CB ASN A 13 41.372 32.950 5.628 1.00 0.00 C ATOM 156 CG ASN A 13 41.319 32.606 7.104 1.00 0.00 C ATOM 157 OD1 ASN A 13 42.269 32.052 7.658 1.00 0.00 O ATOM 158 ND2 ASN A 13 40.205 32.933 7.748 1.00 0.00 N ATOM 0 H ASN A 13 43.881 31.195 5.801 1.00 0.00 H new ATOM 0 HA ASN A 13 41.801 30.931 5.026 1.00 0.00 H new ATOM 0 HB2 ASN A 13 41.812 33.940 5.504 1.00 0.00 H new ATOM 0 HB3 ASN A 13 40.357 33.000 5.233 1.00 0.00 H new ATOM 0 HD21 ASN A 13 40.111 32.726 8.742 1.00 0.00 H new ATOM 0 HD22 ASN A 13 39.443 33.391 7.248 1.00 0.00 H new ATOM 165 N GLN A 14 42.875 31.586 2.522 1.00 0.00 N ATOM 166 CA GLN A 14 42.832 31.767 1.076 1.00 0.00 C ATOM 167 C GLN A 14 42.156 30.580 0.399 1.00 0.00 C ATOM 168 O GLN A 14 42.739 29.502 0.287 1.00 0.00 O ATOM 169 CB GLN A 14 44.246 31.949 0.521 1.00 0.00 C ATOM 170 CG GLN A 14 44.289 32.701 -0.799 1.00 0.00 C ATOM 171 CD GLN A 14 45.703 33.003 -1.253 1.00 0.00 C ATOM 172 OE1 GLN A 14 46.662 32.808 -0.506 1.00 0.00 O ATOM 173 NE2 GLN A 14 45.841 33.483 -2.484 1.00 0.00 N ATOM 0 H GLN A 14 43.603 30.949 2.846 1.00 0.00 H new ATOM 0 HA GLN A 14 42.249 32.663 0.865 1.00 0.00 H new ATOM 0 HB2 GLN A 14 44.849 32.484 1.254 1.00 0.00 H new ATOM 0 HB3 GLN A 14 44.703 30.969 0.386 1.00 0.00 H new ATOM 0 HG2 GLN A 14 43.784 32.112 -1.565 1.00 0.00 H new ATOM 0 HG3 GLN A 14 43.736 33.635 -0.699 1.00 0.00 H new ATOM 0 HE21 GLN A 14 45.019 33.629 -3.070 1.00 0.00 H new ATOM 0 HE22 GLN A 14 46.769 33.705 -2.844 1.00 0.00 H new ATOM 182 N ALA A 15 40.922 30.785 -0.051 1.00 0.00 N ATOM 183 CA ALA A 15 40.167 29.732 -0.719 1.00 0.00 C ATOM 184 C ALA A 15 40.773 29.401 -2.078 1.00 0.00 C ATOM 185 O ALA A 15 40.693 30.196 -3.014 1.00 0.00 O ATOM 186 CB ALA A 15 38.711 30.144 -0.874 1.00 0.00 C ATOM 0 H ALA A 15 40.424 31.671 0.035 1.00 0.00 H new ATOM 0 HA ALA A 15 40.215 28.836 -0.101 1.00 0.00 H new ATOM 0 HB1 ALA A 15 38.159 29.348 -1.374 1.00 0.00 H new ATOM 0 HB2 ALA A 15 38.277 30.324 0.110 1.00 0.00 H new ATOM 0 HB3 ALA A 15 38.652 31.056 -1.468 1.00 0.00 H new ATOM 192 N ALA A 16 41.379 28.222 -2.179 1.00 0.00 N ATOM 193 CA ALA A 16 41.997 27.785 -3.425 1.00 0.00 C ATOM 194 C ALA A 16 40.992 27.805 -4.573 1.00 0.00 C ATOM 195 O ALA A 16 40.066 26.995 -4.615 1.00 0.00 O ATOM 196 CB ALA A 16 42.587 26.393 -3.262 1.00 0.00 C ATOM 0 H ALA A 16 41.455 27.553 -1.413 1.00 0.00 H new ATOM 0 HA ALA A 16 42.800 28.481 -3.667 1.00 0.00 H new ATOM 0 HB1 ALA A 16 43.045 26.080 -4.200 1.00 0.00 H new ATOM 0 HB2 ALA A 16 43.343 26.408 -2.477 1.00 0.00 H new ATOM 0 HB3 ALA A 16 41.797 25.692 -2.992 1.00 0.00 H new ATOM 202 N LYS A 17 41.181 28.735 -5.502 1.00 0.00 N ATOM 203 CA LYS A 17 40.292 28.861 -6.651 1.00 0.00 C ATOM 204 C LYS A 17 40.847 29.860 -7.661 1.00 0.00 C ATOM 205 O LYS A 17 41.629 30.742 -7.311 1.00 0.00 O ATOM 206 CB LYS A 17 38.897 29.298 -6.198 1.00 0.00 C ATOM 207 CG LYS A 17 37.787 28.859 -7.136 1.00 0.00 C ATOM 208 CD LYS A 17 37.599 27.351 -7.111 1.00 0.00 C ATOM 209 CE LYS A 17 36.158 26.964 -7.406 1.00 0.00 C ATOM 210 NZ LYS A 17 35.907 26.838 -8.869 1.00 0.00 N ATOM 0 H LYS A 17 41.942 29.413 -5.482 1.00 0.00 H new ATOM 0 HA LYS A 17 40.221 27.886 -7.133 1.00 0.00 H new ATOM 0 HB2 LYS A 17 38.703 28.893 -5.205 1.00 0.00 H new ATOM 0 HB3 LYS A 17 38.877 30.384 -6.108 1.00 0.00 H new ATOM 0 HG2 LYS A 17 36.855 29.347 -6.852 1.00 0.00 H new ATOM 0 HG3 LYS A 17 38.019 29.181 -8.151 1.00 0.00 H new ATOM 0 HD2 LYS A 17 38.259 26.889 -7.845 1.00 0.00 H new ATOM 0 HD3 LYS A 17 37.888 26.963 -6.134 1.00 0.00 H new ATOM 0 HE2 LYS A 17 35.928 26.018 -6.915 1.00 0.00 H new ATOM 0 HE3 LYS A 17 35.487 27.713 -6.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 34.904 27.029 -9.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 36.498 27.522 -9.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 36.143 25.874 -9.180 1.00 0.00 H new ATOM 224 N GLY A 18 40.434 29.716 -8.917 1.00 0.00 N ATOM 225 CA GLY A 18 40.899 30.614 -9.958 1.00 0.00 C ATOM 226 C GLY A 18 39.781 31.456 -10.540 1.00 0.00 C ATOM 227 O GLY A 18 39.075 32.153 -9.810 1.00 0.00 O ATOM 0 H GLY A 18 39.786 28.994 -9.232 1.00 0.00 H new ATOM 0 HA2 GLY A 18 41.669 31.269 -9.551 1.00 0.00 H new ATOM 0 HA3 GLY A 18 41.364 30.032 -10.754 1.00 0.00 H new ATOM 231 N VAL A 19 39.619 31.394 -11.858 1.00 0.00 N ATOM 232 CA VAL A 19 38.579 32.157 -12.537 1.00 0.00 C ATOM 233 C VAL A 19 37.303 31.336 -12.685 1.00 0.00 C ATOM 234 O VAL A 19 37.286 30.316 -13.372 1.00 0.00 O ATOM 235 CB VAL A 19 39.043 32.621 -13.931 1.00 0.00 C ATOM 236 CG1 VAL A 19 40.090 33.718 -13.807 1.00 0.00 C ATOM 237 CG2 VAL A 19 39.583 31.445 -14.731 1.00 0.00 C ATOM 0 H VAL A 19 40.195 30.823 -12.477 1.00 0.00 H new ATOM 0 HA VAL A 19 38.375 33.032 -11.920 1.00 0.00 H new ATOM 0 HB VAL A 19 38.184 33.030 -14.464 1.00 0.00 H new ATOM 0 HG11 VAL A 19 40.406 34.033 -14.801 1.00 0.00 H new ATOM 0 HG12 VAL A 19 39.664 34.569 -13.275 1.00 0.00 H new ATOM 0 HG13 VAL A 19 40.951 33.339 -13.256 1.00 0.00 H new ATOM 0 HG21 VAL A 19 39.906 31.791 -15.713 1.00 0.00 H new ATOM 0 HG22 VAL A 19 40.430 31.005 -14.204 1.00 0.00 H new ATOM 0 HG23 VAL A 19 38.800 30.696 -14.850 1.00 0.00 H new ATOM 247 N ASN A 20 36.236 31.790 -12.036 1.00 0.00 N ATOM 248 CA ASN A 20 34.954 31.097 -12.096 1.00 0.00 C ATOM 249 C ASN A 20 33.818 32.015 -11.655 1.00 0.00 C ATOM 250 O ASN A 20 34.048 33.043 -11.017 1.00 0.00 O ATOM 251 CB ASN A 20 34.985 29.846 -11.215 1.00 0.00 C ATOM 252 CG ASN A 20 36.089 28.886 -11.613 1.00 0.00 C ATOM 253 OD1 ASN A 20 37.144 28.838 -10.980 1.00 0.00 O ATOM 254 ND2 ASN A 20 35.850 28.115 -12.668 1.00 0.00 N ATOM 0 H ASN A 20 36.233 32.634 -11.463 1.00 0.00 H new ATOM 0 HA ASN A 20 34.777 30.801 -13.130 1.00 0.00 H new ATOM 0 HB2 ASN A 20 35.121 30.141 -10.175 1.00 0.00 H new ATOM 0 HB3 ASN A 20 34.024 29.336 -11.278 1.00 0.00 H new ATOM 0 HD21 ASN A 20 36.555 27.449 -12.983 1.00 0.00 H new ATOM 0 HD22 ASN A 20 34.961 28.189 -13.163 1.00 0.00 H new ATOM 261 N LYS A 21 32.592 31.637 -11.998 1.00 0.00 N ATOM 262 CA LYS A 21 31.418 32.424 -11.637 1.00 0.00 C ATOM 263 C LYS A 21 30.230 31.518 -11.330 1.00 0.00 C ATOM 264 O LYS A 21 30.043 30.486 -11.973 1.00 0.00 O ATOM 265 CB LYS A 21 31.059 33.390 -12.768 1.00 0.00 C ATOM 266 CG LYS A 21 30.456 32.706 -13.983 1.00 0.00 C ATOM 267 CD LYS A 21 31.520 32.021 -14.823 1.00 0.00 C ATOM 268 CE LYS A 21 30.997 31.669 -16.207 1.00 0.00 C ATOM 269 NZ LYS A 21 31.918 30.749 -16.931 1.00 0.00 N ATOM 0 H LYS A 21 32.385 30.789 -12.526 1.00 0.00 H new ATOM 0 HA LYS A 21 31.656 32.997 -10.741 1.00 0.00 H new ATOM 0 HB2 LYS A 21 30.354 34.131 -12.392 1.00 0.00 H new ATOM 0 HB3 LYS A 21 31.956 33.929 -13.073 1.00 0.00 H new ATOM 0 HG2 LYS A 21 29.718 31.972 -13.659 1.00 0.00 H new ATOM 0 HG3 LYS A 21 29.929 33.441 -14.591 1.00 0.00 H new ATOM 0 HD2 LYS A 21 32.388 32.674 -14.916 1.00 0.00 H new ATOM 0 HD3 LYS A 21 31.856 31.115 -14.319 1.00 0.00 H new ATOM 0 HE2 LYS A 21 30.016 31.203 -16.117 1.00 0.00 H new ATOM 0 HE3 LYS A 21 30.865 32.582 -16.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 31.526 30.533 -17.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 32.847 31.203 -17.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 32.025 29.868 -16.389 1.00 0.00 H new ATOM 283 N GLU A 22 29.428 31.914 -10.346 1.00 0.00 N ATOM 284 CA GLU A 22 28.257 31.138 -9.956 1.00 0.00 C ATOM 285 C GLU A 22 27.339 31.955 -9.052 1.00 0.00 C ATOM 286 O GLU A 22 27.802 32.728 -8.213 1.00 0.00 O ATOM 287 CB GLU A 22 28.684 29.854 -9.241 1.00 0.00 C ATOM 288 CG GLU A 22 29.166 30.082 -7.818 1.00 0.00 C ATOM 289 CD GLU A 22 28.035 30.055 -6.808 1.00 0.00 C ATOM 290 OE1 GLU A 22 27.094 29.254 -6.991 1.00 0.00 O ATOM 291 OE2 GLU A 22 28.091 30.835 -5.834 1.00 0.00 O ATOM 0 H GLU A 22 29.568 32.767 -9.805 1.00 0.00 H new ATOM 0 HA GLU A 22 27.708 30.877 -10.861 1.00 0.00 H new ATOM 0 HB2 GLU A 22 27.843 29.161 -9.224 1.00 0.00 H new ATOM 0 HB3 GLU A 22 29.480 29.377 -9.813 1.00 0.00 H new ATOM 0 HG2 GLU A 22 29.898 29.317 -7.559 1.00 0.00 H new ATOM 0 HG3 GLU A 22 29.676 31.043 -7.761 1.00 0.00 H new ATOM 298 N PHE A 23 26.034 31.779 -9.230 1.00 0.00 N ATOM 299 CA PHE A 23 25.049 32.501 -8.433 1.00 0.00 C ATOM 300 C PHE A 23 24.207 31.535 -7.605 1.00 0.00 C ATOM 301 O PHE A 23 24.234 30.324 -7.823 1.00 0.00 O ATOM 302 CB PHE A 23 24.144 33.339 -9.338 1.00 0.00 C ATOM 303 CG PHE A 23 23.560 34.542 -8.653 1.00 0.00 C ATOM 304 CD1 PHE A 23 24.383 35.492 -8.072 1.00 0.00 C ATOM 305 CD2 PHE A 23 22.187 34.722 -8.592 1.00 0.00 C ATOM 306 CE1 PHE A 23 23.848 36.600 -7.441 1.00 0.00 C ATOM 307 CE2 PHE A 23 21.647 35.828 -7.963 1.00 0.00 C ATOM 308 CZ PHE A 23 22.479 36.768 -7.387 1.00 0.00 C ATOM 0 H PHE A 23 25.634 31.142 -9.919 1.00 0.00 H new ATOM 0 HA PHE A 23 25.584 33.164 -7.753 1.00 0.00 H new ATOM 0 HB2 PHE A 23 24.715 33.667 -10.206 1.00 0.00 H new ATOM 0 HB3 PHE A 23 23.333 32.712 -9.708 1.00 0.00 H new ATOM 0 HD1 PHE A 23 25.455 35.366 -8.112 1.00 0.00 H new ATOM 0 HD2 PHE A 23 21.532 33.990 -9.041 1.00 0.00 H new ATOM 0 HE1 PHE A 23 24.501 37.333 -6.991 1.00 0.00 H new ATOM 0 HE2 PHE A 23 20.576 35.957 -7.922 1.00 0.00 H new ATOM 0 HZ PHE A 23 22.059 37.633 -6.895 1.00 0.00 H new ATOM 318 N THR A 24 23.457 32.081 -6.652 1.00 0.00 N ATOM 319 CA THR A 24 22.607 31.269 -5.789 1.00 0.00 C ATOM 320 C THR A 24 21.232 31.060 -6.412 1.00 0.00 C ATOM 321 O THR A 24 20.288 31.793 -6.117 1.00 0.00 O ATOM 322 CB THR A 24 22.437 31.914 -4.401 1.00 0.00 C ATOM 323 OG1 THR A 24 23.719 32.237 -3.850 1.00 0.00 O ATOM 324 CG2 THR A 24 21.695 30.980 -3.457 1.00 0.00 C ATOM 0 H THR A 24 23.421 33.082 -6.458 1.00 0.00 H new ATOM 0 HA THR A 24 23.101 30.304 -5.675 1.00 0.00 H new ATOM 0 HB THR A 24 21.852 32.826 -4.518 1.00 0.00 H new ATOM 0 HG1 THR A 24 23.602 32.648 -2.968 1.00 0.00 H new ATOM 0 HG21 THR A 24 21.587 31.457 -2.483 1.00 0.00 H new ATOM 0 HG22 THR A 24 20.708 30.760 -3.864 1.00 0.00 H new ATOM 0 HG23 THR A 24 22.257 30.053 -3.346 1.00 0.00 H new ATOM 332 N VAL A 25 21.124 30.054 -7.274 1.00 0.00 N ATOM 333 CA VAL A 25 19.863 29.748 -7.938 1.00 0.00 C ATOM 334 C VAL A 25 19.421 28.318 -7.644 1.00 0.00 C ATOM 335 O VAL A 25 20.062 27.606 -6.873 1.00 0.00 O ATOM 336 CB VAL A 25 19.969 29.937 -9.462 1.00 0.00 C ATOM 337 CG1 VAL A 25 20.466 31.337 -9.793 1.00 0.00 C ATOM 338 CG2 VAL A 25 20.883 28.882 -10.067 1.00 0.00 C ATOM 0 H VAL A 25 21.895 29.437 -7.529 1.00 0.00 H new ATOM 0 HA VAL A 25 19.122 30.444 -7.545 1.00 0.00 H new ATOM 0 HB VAL A 25 18.976 29.817 -9.896 1.00 0.00 H new ATOM 0 HG11 VAL A 25 20.535 31.452 -10.875 1.00 0.00 H new ATOM 0 HG12 VAL A 25 19.770 32.074 -9.393 1.00 0.00 H new ATOM 0 HG13 VAL A 25 21.450 31.488 -9.349 1.00 0.00 H new ATOM 0 HG21 VAL A 25 20.947 29.031 -11.145 1.00 0.00 H new ATOM 0 HG22 VAL A 25 21.878 28.968 -9.630 1.00 0.00 H new ATOM 0 HG23 VAL A 25 20.481 27.890 -9.860 1.00 0.00 H new ATOM 348 N ASN A 26 18.321 27.905 -8.265 1.00 0.00 N ATOM 349 CA ASN A 26 17.793 26.560 -8.070 1.00 0.00 C ATOM 350 C ASN A 26 18.437 25.576 -9.043 1.00 0.00 C ATOM 351 O ASN A 26 17.948 25.378 -10.155 1.00 0.00 O ATOM 352 CB ASN A 26 16.274 26.554 -8.254 1.00 0.00 C ATOM 353 CG ASN A 26 15.598 25.461 -7.449 1.00 0.00 C ATOM 354 OD1 ASN A 26 15.847 24.275 -7.661 1.00 0.00 O ATOM 355 ND2 ASN A 26 14.737 25.858 -6.519 1.00 0.00 N ATOM 0 H ASN A 26 17.778 28.482 -8.907 1.00 0.00 H new ATOM 0 HA ASN A 26 18.031 26.248 -7.053 1.00 0.00 H new ATOM 0 HB2 ASN A 26 15.871 27.522 -7.957 1.00 0.00 H new ATOM 0 HB3 ASN A 26 16.039 26.422 -9.310 1.00 0.00 H new ATOM 0 HD21 ASN A 26 14.251 25.168 -5.946 1.00 0.00 H new ATOM 0 HD22 ASN A 26 14.561 26.853 -6.378 1.00 0.00 H new ATOM 362 N ILE A 27 19.536 24.964 -8.614 1.00 0.00 N ATOM 363 CA ILE A 27 20.246 24.000 -9.446 1.00 0.00 C ATOM 364 C ILE A 27 19.717 22.588 -9.224 1.00 0.00 C ATOM 365 O ILE A 27 19.817 22.042 -8.126 1.00 0.00 O ATOM 366 CB ILE A 27 21.760 24.020 -9.163 1.00 0.00 C ATOM 367 CG1 ILE A 27 22.338 25.405 -9.458 1.00 0.00 C ATOM 368 CG2 ILE A 27 22.467 22.957 -9.991 1.00 0.00 C ATOM 369 CD1 ILE A 27 22.360 26.320 -8.254 1.00 0.00 C ATOM 0 H ILE A 27 19.954 25.118 -7.696 1.00 0.00 H new ATOM 0 HA ILE A 27 20.075 24.291 -10.483 1.00 0.00 H new ATOM 0 HB ILE A 27 21.921 23.798 -8.108 1.00 0.00 H new ATOM 0 HG12 ILE A 27 23.354 25.293 -9.837 1.00 0.00 H new ATOM 0 HG13 ILE A 27 21.752 25.873 -10.249 1.00 0.00 H new ATOM 0 HG21 ILE A 27 23.536 22.983 -9.780 1.00 0.00 H new ATOM 0 HG22 ILE A 27 22.071 21.974 -9.736 1.00 0.00 H new ATOM 0 HG23 ILE A 27 22.301 23.151 -11.051 1.00 0.00 H new ATOM 0 HD11 ILE A 27 22.782 27.284 -8.537 1.00 0.00 H new ATOM 0 HD12 ILE A 27 21.344 26.463 -7.887 1.00 0.00 H new ATOM 0 HD13 ILE A 27 22.970 25.873 -7.469 1.00 0.00 H new ATOM 381 N MET A 28 19.155 22.000 -10.276 1.00 0.00 N ATOM 382 CA MET A 28 18.613 20.648 -10.196 1.00 0.00 C ATOM 383 C MET A 28 19.032 19.822 -11.408 1.00 0.00 C ATOM 384 O MET A 28 18.487 19.985 -12.500 1.00 0.00 O ATOM 385 CB MET A 28 17.087 20.693 -10.098 1.00 0.00 C ATOM 386 CG MET A 28 16.579 21.125 -8.732 1.00 0.00 C ATOM 387 SD MET A 28 16.595 19.782 -7.528 1.00 0.00 S ATOM 388 CE MET A 28 17.898 20.330 -6.428 1.00 0.00 C ATOM 0 H MET A 28 19.063 22.438 -11.193 1.00 0.00 H new ATOM 0 HA MET A 28 19.014 20.175 -9.300 1.00 0.00 H new ATOM 0 HB2 MET A 28 16.703 21.379 -10.853 1.00 0.00 H new ATOM 0 HB3 MET A 28 16.687 19.706 -10.330 1.00 0.00 H new ATOM 0 HG2 MET A 28 17.194 21.946 -8.363 1.00 0.00 H new ATOM 0 HG3 MET A 28 15.563 21.507 -8.831 1.00 0.00 H new ATOM 0 HE1 MET A 28 17.876 19.736 -5.514 1.00 0.00 H new ATOM 0 HE2 MET A 28 18.864 20.206 -6.918 1.00 0.00 H new ATOM 0 HE3 MET A 28 17.748 21.381 -6.182 1.00 0.00 H new ATOM 398 N ASP A 29 20.003 18.937 -11.208 1.00 0.00 N ATOM 399 CA ASP A 29 20.494 18.086 -12.285 1.00 0.00 C ATOM 400 C ASP A 29 20.326 16.611 -11.931 1.00 0.00 C ATOM 401 O ASP A 29 19.717 16.270 -10.916 1.00 0.00 O ATOM 402 CB ASP A 29 21.965 18.389 -12.573 1.00 0.00 C ATOM 403 CG ASP A 29 22.308 18.246 -14.043 1.00 0.00 C ATOM 404 OD1 ASP A 29 21.565 18.796 -14.883 1.00 0.00 O ATOM 405 OD2 ASP A 29 23.321 17.585 -14.354 1.00 0.00 O ATOM 0 H ASP A 29 20.465 18.791 -10.310 1.00 0.00 H new ATOM 0 HA ASP A 29 19.906 18.297 -13.178 1.00 0.00 H new ATOM 0 HB2 ASP A 29 22.195 19.403 -12.246 1.00 0.00 H new ATOM 0 HB3 ASP A 29 22.593 17.716 -11.989 1.00 0.00 H new ATOM 410 N THR A 30 20.868 15.739 -12.776 1.00 0.00 N ATOM 411 CA THR A 30 20.776 14.302 -12.554 1.00 0.00 C ATOM 412 C THR A 30 21.747 13.850 -11.469 1.00 0.00 C ATOM 413 O THR A 30 22.930 14.190 -11.500 1.00 0.00 O ATOM 414 CB THR A 30 21.065 13.514 -13.846 1.00 0.00 C ATOM 415 OG1 THR A 30 20.311 14.062 -14.933 1.00 0.00 O ATOM 416 CG2 THR A 30 20.719 12.043 -13.672 1.00 0.00 C ATOM 0 H THR A 30 21.375 16.004 -13.620 1.00 0.00 H new ATOM 0 HA THR A 30 19.755 14.097 -12.233 1.00 0.00 H new ATOM 0 HB THR A 30 22.130 13.596 -14.065 1.00 0.00 H new ATOM 0 HG1 THR A 30 20.502 13.557 -15.751 1.00 0.00 H new ATOM 0 HG21 THR A 30 20.931 11.507 -14.597 1.00 0.00 H new ATOM 0 HG22 THR A 30 21.316 11.622 -12.863 1.00 0.00 H new ATOM 0 HG23 THR A 30 19.661 11.944 -13.430 1.00 0.00 H new ATOM 424 N CYS A 31 21.240 13.081 -10.511 1.00 0.00 N ATOM 425 CA CYS A 31 22.062 12.582 -9.416 1.00 0.00 C ATOM 426 C CYS A 31 23.306 11.876 -9.947 1.00 0.00 C ATOM 427 O CYS A 31 23.314 11.372 -11.069 1.00 0.00 O ATOM 428 CB CYS A 31 21.253 11.622 -8.540 1.00 0.00 C ATOM 429 SG CYS A 31 22.196 10.906 -7.156 1.00 0.00 S ATOM 0 H CYS A 31 20.263 12.790 -10.471 1.00 0.00 H new ATOM 0 HA CYS A 31 22.378 13.434 -8.815 1.00 0.00 H new ATOM 0 HB2 CYS A 31 20.388 12.152 -8.141 1.00 0.00 H new ATOM 0 HB3 CYS A 31 20.871 10.813 -9.163 1.00 0.00 H new ATOM 434 N GLU A 32 24.356 11.846 -9.132 1.00 0.00 N ATOM 435 CA GLU A 32 25.606 11.203 -9.521 1.00 0.00 C ATOM 436 C GLU A 32 25.820 9.912 -8.736 1.00 0.00 C ATOM 437 O GLU A 32 26.376 8.943 -9.254 1.00 0.00 O ATOM 438 CB GLU A 32 26.785 12.152 -9.296 1.00 0.00 C ATOM 439 CG GLU A 32 27.021 12.493 -7.834 1.00 0.00 C ATOM 440 CD GLU A 32 28.345 13.195 -7.605 1.00 0.00 C ATOM 441 OE1 GLU A 32 29.257 13.027 -8.441 1.00 0.00 O ATOM 442 OE2 GLU A 32 28.469 13.912 -6.591 1.00 0.00 O ATOM 0 H GLU A 32 24.366 12.259 -8.199 1.00 0.00 H new ATOM 0 HA GLU A 32 25.545 10.957 -10.581 1.00 0.00 H new ATOM 0 HB2 GLU A 32 27.688 11.699 -9.705 1.00 0.00 H new ATOM 0 HB3 GLU A 32 26.610 13.073 -9.852 1.00 0.00 H new ATOM 0 HG2 GLU A 32 26.211 13.129 -7.478 1.00 0.00 H new ATOM 0 HG3 GLU A 32 26.992 11.578 -7.242 1.00 0.00 H new ATOM 449 N ARG A 33 25.376 9.907 -7.484 1.00 0.00 N ATOM 450 CA ARG A 33 25.521 8.736 -6.626 1.00 0.00 C ATOM 451 C ARG A 33 24.756 7.546 -7.198 1.00 0.00 C ATOM 452 O ARG A 33 25.219 6.407 -7.130 1.00 0.00 O ATOM 453 CB ARG A 33 25.021 9.047 -5.214 1.00 0.00 C ATOM 454 CG ARG A 33 25.499 8.054 -4.167 1.00 0.00 C ATOM 455 CD ARG A 33 25.161 8.523 -2.760 1.00 0.00 C ATOM 456 NE ARG A 33 25.917 7.795 -1.745 1.00 0.00 N ATOM 457 CZ ARG A 33 27.164 8.098 -1.400 1.00 0.00 C ATOM 458 NH1 ARG A 33 27.791 9.108 -1.985 1.00 0.00 N ATOM 459 NH2 ARG A 33 27.785 7.388 -0.466 1.00 0.00 N ATOM 0 H ARG A 33 24.913 10.700 -7.040 1.00 0.00 H new ATOM 0 HA ARG A 33 26.579 8.478 -6.580 1.00 0.00 H new ATOM 0 HB2 ARG A 33 25.352 10.047 -4.932 1.00 0.00 H new ATOM 0 HB3 ARG A 33 23.931 9.061 -5.218 1.00 0.00 H new ATOM 0 HG2 ARG A 33 25.039 7.083 -4.348 1.00 0.00 H new ATOM 0 HG3 ARG A 33 26.577 7.918 -4.258 1.00 0.00 H new ATOM 0 HD2 ARG A 33 25.370 9.589 -2.673 1.00 0.00 H new ATOM 0 HD3 ARG A 33 24.094 8.392 -2.581 1.00 0.00 H new ATOM 0 HE ARG A 33 25.463 7.011 -1.275 1.00 0.00 H new ATOM 0 HH11 ARG A 33 27.317 9.656 -2.703 1.00 0.00 H new ATOM 0 HH12 ARG A 33 28.748 9.338 -1.718 1.00 0.00 H new ATOM 0 HH21 ARG A 33 27.305 6.610 -0.013 1.00 0.00 H new ATOM 0 HH22 ARG A 33 28.742 7.620 -0.201 1.00 0.00 H new ATOM 473 N CYS A 34 23.583 7.818 -7.759 1.00 0.00 N ATOM 474 CA CYS A 34 22.753 6.770 -8.342 1.00 0.00 C ATOM 475 C CYS A 34 22.621 6.957 -9.851 1.00 0.00 C ATOM 476 O CYS A 34 22.022 6.131 -10.538 1.00 0.00 O ATOM 477 CB CYS A 34 21.367 6.770 -7.694 1.00 0.00 C ATOM 478 SG CYS A 34 20.445 8.326 -7.909 1.00 0.00 S ATOM 0 H CYS A 34 23.185 8.755 -7.822 1.00 0.00 H new ATOM 0 HA CYS A 34 23.236 5.811 -8.153 1.00 0.00 H new ATOM 0 HB2 CYS A 34 20.781 5.952 -8.114 1.00 0.00 H new ATOM 0 HB3 CYS A 34 21.476 6.569 -6.628 1.00 0.00 H new ATOM 483 N ASN A 35 23.185 8.048 -10.358 1.00 0.00 N ATOM 484 CA ASN A 35 23.131 8.343 -11.785 1.00 0.00 C ATOM 485 C ASN A 35 21.690 8.540 -12.245 1.00 0.00 C ATOM 486 O ASN A 35 21.283 8.021 -13.284 1.00 0.00 O ATOM 487 CB ASN A 35 23.785 7.215 -12.586 1.00 0.00 C ATOM 488 CG ASN A 35 25.299 7.291 -12.561 1.00 0.00 C ATOM 489 OD1 ASN A 35 25.936 7.539 -13.585 1.00 0.00 O ATOM 490 ND2 ASN A 35 25.883 7.076 -11.388 1.00 0.00 N ATOM 0 H ASN A 35 23.685 8.742 -9.802 1.00 0.00 H new ATOM 0 HA ASN A 35 23.680 9.268 -11.960 1.00 0.00 H new ATOM 0 HB2 ASN A 35 23.465 6.254 -12.183 1.00 0.00 H new ATOM 0 HB3 ASN A 35 23.439 7.258 -13.619 1.00 0.00 H new ATOM 0 HD21 ASN A 35 26.899 7.113 -11.310 1.00 0.00 H new ATOM 0 HD22 ASN A 35 25.315 6.874 -10.565 1.00 0.00 H new ATOM 497 N GLY A 36 20.922 9.293 -11.464 1.00 0.00 N ATOM 498 CA GLY A 36 19.535 9.546 -11.808 1.00 0.00 C ATOM 499 C GLY A 36 18.712 8.274 -11.868 1.00 0.00 C ATOM 500 O GLY A 36 17.780 8.165 -12.665 1.00 0.00 O ATOM 0 H GLY A 36 21.236 9.733 -10.599 1.00 0.00 H new ATOM 0 HA2 GLY A 36 19.099 10.223 -11.073 1.00 0.00 H new ATOM 0 HA3 GLY A 36 19.489 10.051 -12.773 1.00 0.00 H new ATOM 504 N LYS A 37 19.057 7.308 -11.023 1.00 0.00 N ATOM 505 CA LYS A 37 18.344 6.036 -10.983 1.00 0.00 C ATOM 506 C LYS A 37 17.448 5.954 -9.751 1.00 0.00 C ATOM 507 O LYS A 37 16.254 5.676 -9.858 1.00 0.00 O ATOM 508 CB LYS A 37 19.337 4.872 -10.983 1.00 0.00 C ATOM 509 CG LYS A 37 20.277 4.874 -12.176 1.00 0.00 C ATOM 510 CD LYS A 37 19.704 4.081 -13.339 1.00 0.00 C ATOM 511 CE LYS A 37 19.675 2.591 -13.037 1.00 0.00 C ATOM 512 NZ LYS A 37 18.391 2.177 -12.407 1.00 0.00 N ATOM 0 H LYS A 37 19.826 7.382 -10.357 1.00 0.00 H new ATOM 0 HA LYS A 37 17.717 5.971 -11.872 1.00 0.00 H new ATOM 0 HB2 LYS A 37 19.926 4.908 -10.067 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.783 3.933 -10.969 1.00 0.00 H new ATOM 0 HG2 LYS A 37 20.464 5.901 -12.491 1.00 0.00 H new ATOM 0 HG3 LYS A 37 21.238 4.450 -11.884 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.694 4.429 -13.556 1.00 0.00 H new ATOM 0 HD3 LYS A 37 20.302 4.261 -14.233 1.00 0.00 H new ATOM 0 HE2 LYS A 37 19.824 2.031 -13.960 1.00 0.00 H new ATOM 0 HE3 LYS A 37 20.503 2.339 -12.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.552 1.958 -11.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.700 2.950 -12.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.023 1.333 -12.891 1.00 0.00 H new ATOM 526 N GLY A 38 18.032 6.199 -8.582 1.00 0.00 N ATOM 527 CA GLY A 38 17.271 6.148 -7.348 1.00 0.00 C ATOM 528 C GLY A 38 17.668 4.979 -6.469 1.00 0.00 C ATOM 529 O GLY A 38 16.913 4.573 -5.586 1.00 0.00 O ATOM 0 H GLY A 38 19.018 6.432 -8.468 1.00 0.00 H new ATOM 0 HA2 GLY A 38 17.415 7.078 -6.797 1.00 0.00 H new ATOM 0 HA3 GLY A 38 16.209 6.078 -7.583 1.00 0.00 H new ATOM 533 N ASN A 39 18.857 4.436 -6.711 1.00 0.00 N ATOM 534 CA ASN A 39 19.352 3.305 -5.935 1.00 0.00 C ATOM 535 C ASN A 39 20.815 3.507 -5.551 1.00 0.00 C ATOM 536 O ASN A 39 21.578 4.135 -6.284 1.00 0.00 O ATOM 537 CB ASN A 39 19.198 2.007 -6.731 1.00 0.00 C ATOM 538 CG ASN A 39 19.580 0.783 -5.922 1.00 0.00 C ATOM 539 OD1 ASN A 39 19.289 0.698 -4.729 1.00 0.00 O ATOM 540 ND2 ASN A 39 20.237 -0.172 -6.570 1.00 0.00 N ATOM 0 H ASN A 39 19.495 4.761 -7.438 1.00 0.00 H new ATOM 0 HA ASN A 39 18.761 3.237 -5.022 1.00 0.00 H new ATOM 0 HB2 ASN A 39 18.165 1.910 -7.066 1.00 0.00 H new ATOM 0 HB3 ASN A 39 19.820 2.057 -7.625 1.00 0.00 H new ATOM 0 HD21 ASN A 39 20.522 -1.019 -6.078 1.00 0.00 H new ATOM 0 HD22 ASN A 39 20.457 -0.058 -7.560 1.00 0.00 H new ATOM 547 N GLU A 40 21.198 2.970 -4.397 1.00 0.00 N ATOM 548 CA GLU A 40 22.569 3.093 -3.916 1.00 0.00 C ATOM 549 C GLU A 40 23.543 2.401 -4.865 1.00 0.00 C ATOM 550 O GLU A 40 23.264 1.332 -5.409 1.00 0.00 O ATOM 551 CB GLU A 40 22.696 2.496 -2.513 1.00 0.00 C ATOM 552 CG GLU A 40 21.840 3.199 -1.472 1.00 0.00 C ATOM 553 CD GLU A 40 22.318 2.945 -0.056 1.00 0.00 C ATOM 554 OE1 GLU A 40 23.540 2.774 0.137 1.00 0.00 O ATOM 555 OE2 GLU A 40 21.470 2.918 0.860 1.00 0.00 O ATOM 0 H GLU A 40 20.579 2.446 -3.778 1.00 0.00 H new ATOM 0 HA GLU A 40 22.819 4.153 -3.876 1.00 0.00 H new ATOM 0 HB2 GLU A 40 22.417 1.443 -2.549 1.00 0.00 H new ATOM 0 HB3 GLU A 40 23.740 2.539 -2.202 1.00 0.00 H new ATOM 0 HG2 GLU A 40 21.846 4.271 -1.667 1.00 0.00 H new ATOM 0 HG3 GLU A 40 20.808 2.863 -1.569 1.00 0.00 H new ATOM 562 N PRO A 41 24.713 3.024 -5.070 1.00 0.00 N ATOM 563 CA PRO A 41 25.752 2.486 -5.953 1.00 0.00 C ATOM 564 C PRO A 41 26.407 1.233 -5.383 1.00 0.00 C ATOM 565 O PRO A 41 27.432 0.774 -5.883 1.00 0.00 O ATOM 566 CB PRO A 41 26.767 3.628 -6.042 1.00 0.00 C ATOM 567 CG PRO A 41 26.575 4.405 -4.785 1.00 0.00 C ATOM 568 CD PRO A 41 25.112 4.300 -4.454 1.00 0.00 C ATOM 0 HA PRO A 41 25.348 2.180 -6.918 1.00 0.00 H new ATOM 0 HB2 PRO A 41 27.785 3.247 -6.120 1.00 0.00 H new ATOM 0 HB3 PRO A 41 26.590 4.247 -6.921 1.00 0.00 H new ATOM 0 HG2 PRO A 41 27.188 4.001 -3.979 1.00 0.00 H new ATOM 0 HG3 PRO A 41 26.871 5.445 -4.920 1.00 0.00 H new ATOM 0 HD2 PRO A 41 24.943 4.296 -3.377 1.00 0.00 H new ATOM 0 HD3 PRO A 41 24.547 5.138 -4.863 1.00 0.00 H new ATOM 576 N GLY A 42 25.807 0.684 -4.331 1.00 0.00 N ATOM 577 CA GLY A 42 26.347 -0.512 -3.710 1.00 0.00 C ATOM 578 C GLY A 42 25.278 -1.547 -3.419 1.00 0.00 C ATOM 579 O GLY A 42 25.518 -2.512 -2.692 1.00 0.00 O ATOM 0 H GLY A 42 24.957 1.046 -3.898 1.00 0.00 H new ATOM 0 HA2 GLY A 42 27.102 -0.948 -4.364 1.00 0.00 H new ATOM 0 HA3 GLY A 42 26.848 -0.241 -2.781 1.00 0.00 H new ATOM 583 N THR A 43 24.092 -1.347 -3.986 1.00 0.00 N ATOM 584 CA THR A 43 22.982 -2.269 -3.782 1.00 0.00 C ATOM 585 C THR A 43 22.591 -2.956 -5.086 1.00 0.00 C ATOM 586 O THR A 43 23.245 -2.778 -6.114 1.00 0.00 O ATOM 587 CB THR A 43 21.750 -1.546 -3.206 1.00 0.00 C ATOM 588 OG1 THR A 43 21.399 -0.436 -4.040 1.00 0.00 O ATOM 589 CG2 THR A 43 22.022 -1.057 -1.791 1.00 0.00 C ATOM 0 H THR A 43 23.876 -0.554 -4.590 1.00 0.00 H new ATOM 0 HA THR A 43 23.321 -3.019 -3.067 1.00 0.00 H new ATOM 0 HB THR A 43 20.922 -2.254 -3.176 1.00 0.00 H new ATOM 0 HG1 THR A 43 20.459 -0.201 -3.893 1.00 0.00 H new ATOM 0 HG21 THR A 43 21.138 -0.550 -1.405 1.00 0.00 H new ATOM 0 HG22 THR A 43 22.261 -1.907 -1.152 1.00 0.00 H new ATOM 0 HG23 THR A 43 22.863 -0.363 -1.801 1.00 0.00 H new ATOM 597 N LYS A 44 21.520 -3.740 -5.037 1.00 0.00 N ATOM 598 CA LYS A 44 21.039 -4.453 -6.215 1.00 0.00 C ATOM 599 C LYS A 44 19.619 -4.022 -6.569 1.00 0.00 C ATOM 600 O LYS A 44 19.030 -3.176 -5.897 1.00 0.00 O ATOM 601 CB LYS A 44 21.080 -5.964 -5.974 1.00 0.00 C ATOM 602 CG LYS A 44 22.474 -6.558 -6.075 1.00 0.00 C ATOM 603 CD LYS A 44 22.477 -8.035 -5.719 1.00 0.00 C ATOM 604 CE LYS A 44 23.765 -8.712 -6.163 1.00 0.00 C ATOM 605 NZ LYS A 44 23.796 -10.151 -5.779 1.00 0.00 N ATOM 0 H LYS A 44 20.968 -3.898 -4.194 1.00 0.00 H new ATOM 0 HA LYS A 44 21.694 -4.207 -7.051 1.00 0.00 H new ATOM 0 HB2 LYS A 44 20.674 -6.177 -4.985 1.00 0.00 H new ATOM 0 HB3 LYS A 44 20.431 -6.457 -6.698 1.00 0.00 H new ATOM 0 HG2 LYS A 44 22.854 -6.426 -7.088 1.00 0.00 H new ATOM 0 HG3 LYS A 44 23.149 -6.021 -5.409 1.00 0.00 H new ATOM 0 HD2 LYS A 44 22.356 -8.151 -4.642 1.00 0.00 H new ATOM 0 HD3 LYS A 44 21.625 -8.526 -6.190 1.00 0.00 H new ATOM 0 HE2 LYS A 44 23.868 -8.622 -7.244 1.00 0.00 H new ATOM 0 HE3 LYS A 44 24.617 -8.199 -5.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 24.689 -10.577 -6.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 23.723 -10.236 -4.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 22.997 -10.646 -6.224 1.00 0.00 H new ATOM 619 N VAL A 45 19.074 -4.612 -7.629 1.00 0.00 N ATOM 620 CA VAL A 45 17.722 -4.291 -8.071 1.00 0.00 C ATOM 621 C VAL A 45 17.033 -5.514 -8.664 1.00 0.00 C ATOM 622 O VAL A 45 17.658 -6.314 -9.359 1.00 0.00 O ATOM 623 CB VAL A 45 17.727 -3.160 -9.117 1.00 0.00 C ATOM 624 CG1 VAL A 45 16.304 -2.764 -9.482 1.00 0.00 C ATOM 625 CG2 VAL A 45 18.507 -1.960 -8.600 1.00 0.00 C ATOM 0 H VAL A 45 19.548 -5.314 -8.197 1.00 0.00 H new ATOM 0 HA VAL A 45 17.172 -3.959 -7.191 1.00 0.00 H new ATOM 0 HB VAL A 45 18.220 -3.524 -10.018 1.00 0.00 H new ATOM 0 HG11 VAL A 45 16.327 -1.964 -10.222 1.00 0.00 H new ATOM 0 HG12 VAL A 45 15.781 -3.626 -9.896 1.00 0.00 H new ATOM 0 HG13 VAL A 45 15.782 -2.418 -8.590 1.00 0.00 H new ATOM 0 HG21 VAL A 45 18.500 -1.171 -9.352 1.00 0.00 H new ATOM 0 HG22 VAL A 45 18.045 -1.593 -7.684 1.00 0.00 H new ATOM 0 HG23 VAL A 45 19.536 -2.256 -8.394 1.00 0.00 H new ATOM 635 N GLN A 46 15.740 -5.652 -8.386 1.00 0.00 N ATOM 636 CA GLN A 46 14.966 -6.779 -8.892 1.00 0.00 C ATOM 637 C GLN A 46 13.951 -6.318 -9.933 1.00 0.00 C ATOM 638 O GLN A 46 13.547 -5.154 -9.948 1.00 0.00 O ATOM 639 CB GLN A 46 14.250 -7.490 -7.743 1.00 0.00 C ATOM 640 CG GLN A 46 15.138 -7.741 -6.535 1.00 0.00 C ATOM 641 CD GLN A 46 15.681 -9.156 -6.494 1.00 0.00 C ATOM 642 OE1 GLN A 46 16.790 -9.421 -6.958 1.00 0.00 O ATOM 643 NE2 GLN A 46 14.900 -10.074 -5.936 1.00 0.00 N ATOM 0 H GLN A 46 15.207 -4.997 -7.813 1.00 0.00 H new ATOM 0 HA GLN A 46 15.655 -7.477 -9.368 1.00 0.00 H new ATOM 0 HB2 GLN A 46 13.392 -6.892 -7.435 1.00 0.00 H new ATOM 0 HB3 GLN A 46 13.862 -8.443 -8.102 1.00 0.00 H new ATOM 0 HG2 GLN A 46 15.970 -7.037 -6.548 1.00 0.00 H new ATOM 0 HG3 GLN A 46 14.570 -7.547 -5.625 1.00 0.00 H new ATOM 0 HE21 GLN A 46 13.988 -9.810 -5.564 1.00 0.00 H new ATOM 0 HE22 GLN A 46 15.212 -11.043 -5.879 1.00 0.00 H new ATOM 652 N HIS A 47 13.541 -7.237 -10.801 1.00 0.00 N ATOM 653 CA HIS A 47 12.572 -6.924 -11.845 1.00 0.00 C ATOM 654 C HIS A 47 11.149 -6.970 -11.297 1.00 0.00 C ATOM 655 O HIS A 47 10.669 -8.023 -10.873 1.00 0.00 O ATOM 656 CB HIS A 47 12.714 -7.903 -13.011 1.00 0.00 C ATOM 657 CG HIS A 47 11.807 -7.597 -14.164 1.00 0.00 C ATOM 658 ND1 HIS A 47 11.894 -6.436 -14.902 1.00 0.00 N ATOM 659 CD2 HIS A 47 10.791 -8.309 -14.704 1.00 0.00 C ATOM 660 CE1 HIS A 47 10.970 -6.446 -15.846 1.00 0.00 C ATOM 661 NE2 HIS A 47 10.288 -7.573 -15.748 1.00 0.00 N ATOM 0 H HIS A 47 13.865 -8.204 -10.802 1.00 0.00 H new ATOM 0 HA HIS A 47 12.772 -5.914 -12.202 1.00 0.00 H new ATOM 0 HB2 HIS A 47 13.747 -7.893 -13.359 1.00 0.00 H new ATOM 0 HB3 HIS A 47 12.507 -8.912 -12.655 1.00 0.00 H new ATOM 0 HD2 HIS A 47 10.441 -9.276 -14.375 1.00 0.00 H new ATOM 0 HE1 HIS A 47 10.801 -5.666 -16.574 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.513 -7.851 -16.350 1.00 0.00 H new ATOM 669 N CYS A 48 10.479 -5.823 -11.307 1.00 0.00 N ATOM 670 CA CYS A 48 9.111 -5.731 -10.810 1.00 0.00 C ATOM 671 C CYS A 48 8.121 -6.273 -11.837 1.00 0.00 C ATOM 672 O CYS A 48 8.176 -5.918 -13.015 1.00 0.00 O ATOM 673 CB CYS A 48 8.767 -4.280 -10.469 1.00 0.00 C ATOM 674 SG CYS A 48 7.188 -4.080 -9.582 1.00 0.00 S ATOM 0 H CYS A 48 10.861 -4.943 -11.654 1.00 0.00 H new ATOM 0 HA CYS A 48 9.037 -6.337 -9.907 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.569 -3.861 -9.861 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.730 -3.700 -11.391 1.00 0.00 H new ATOM 679 N HIS A 49 7.217 -7.134 -11.383 1.00 0.00 N ATOM 680 CA HIS A 49 6.214 -7.725 -12.262 1.00 0.00 C ATOM 681 C HIS A 49 4.959 -6.859 -12.313 1.00 0.00 C ATOM 682 O HIS A 49 4.351 -6.691 -13.370 1.00 0.00 O ATOM 683 CB HIS A 49 5.856 -9.134 -11.789 1.00 0.00 C ATOM 684 CG HIS A 49 4.546 -9.629 -12.319 1.00 0.00 C ATOM 685 ND1 HIS A 49 4.015 -9.570 -13.563 1.00 0.00 N flip ATOM 686 CD2 HIS A 49 3.612 -10.273 -11.535 1.00 0.00 C flip ATOM 687 CE1 HIS A 49 2.783 -10.175 -13.508 1.00 0.00 C flip ATOM 688 NE2 HIS A 49 2.564 -10.590 -12.274 1.00 0.00 N flip ATOM 0 H HIS A 49 7.158 -7.438 -10.411 1.00 0.00 H new ATOM 0 HA HIS A 49 6.636 -7.783 -13.265 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.645 -9.822 -12.093 1.00 0.00 H new ATOM 0 HB3 HIS A 49 5.826 -9.146 -10.699 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.720 -10.485 -10.482 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.104 -10.292 -14.339 1.00 0.00 H new ATOM 0 HE2 HIS A 49 1.728 -11.073 -11.947 1.00 0.00 H new ATOM 696 N TYR A 50 4.576 -6.312 -11.164 1.00 0.00 N ATOM 697 CA TYR A 50 3.392 -5.466 -11.077 1.00 0.00 C ATOM 698 C TYR A 50 3.219 -4.638 -12.347 1.00 0.00 C ATOM 699 O TYR A 50 2.235 -4.789 -13.072 1.00 0.00 O ATOM 700 CB TYR A 50 3.487 -4.542 -9.862 1.00 0.00 C ATOM 701 CG TYR A 50 2.887 -5.131 -8.605 1.00 0.00 C ATOM 702 CD1 TYR A 50 3.216 -6.415 -8.190 1.00 0.00 C ATOM 703 CD2 TYR A 50 1.990 -4.403 -7.833 1.00 0.00 C ATOM 704 CE1 TYR A 50 2.669 -6.958 -7.043 1.00 0.00 C ATOM 705 CE2 TYR A 50 1.439 -4.936 -6.684 1.00 0.00 C ATOM 706 CZ TYR A 50 1.782 -6.214 -6.294 1.00 0.00 C ATOM 707 OH TYR A 50 1.235 -6.750 -5.150 1.00 0.00 O ATOM 0 H TYR A 50 5.069 -6.440 -10.280 1.00 0.00 H new ATOM 0 HA TYR A 50 2.522 -6.113 -10.966 1.00 0.00 H new ATOM 0 HB2 TYR A 50 4.535 -4.305 -9.678 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.983 -3.603 -10.090 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.912 -6.999 -8.774 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.719 -3.403 -8.137 1.00 0.00 H new ATOM 0 HE1 TYR A 50 2.935 -7.959 -6.735 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.744 -4.356 -6.095 1.00 0.00 H new ATOM 0 HH TYR A 50 0.631 -6.097 -4.739 1.00 0.00 H new ATOM 717 N CYS A 51 4.184 -3.763 -12.611 1.00 0.00 N ATOM 718 CA CYS A 51 4.142 -2.910 -13.792 1.00 0.00 C ATOM 719 C CYS A 51 4.894 -3.552 -14.954 1.00 0.00 C ATOM 720 O CYS A 51 4.476 -3.455 -16.107 1.00 0.00 O ATOM 721 CB CYS A 51 4.741 -1.538 -13.478 1.00 0.00 C ATOM 722 SG CYS A 51 6.343 -1.607 -12.612 1.00 0.00 S ATOM 0 H CYS A 51 5.005 -3.626 -12.022 1.00 0.00 H new ATOM 0 HA CYS A 51 3.099 -2.785 -14.082 1.00 0.00 H new ATOM 0 HB2 CYS A 51 4.867 -0.987 -14.410 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.034 -0.976 -12.868 1.00 0.00 H new ATOM 727 N GLY A 52 6.007 -4.209 -14.640 1.00 0.00 N ATOM 728 CA GLY A 52 6.800 -4.858 -15.668 1.00 0.00 C ATOM 729 C GLY A 52 7.830 -3.929 -16.279 1.00 0.00 C ATOM 730 O GLY A 52 8.299 -4.157 -17.393 1.00 0.00 O ATOM 0 H GLY A 52 6.373 -4.303 -13.693 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.305 -5.724 -15.240 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.140 -5.229 -16.452 1.00 0.00 H new ATOM 734 N GLY A 53 8.183 -2.876 -15.547 1.00 0.00 N ATOM 735 CA GLY A 53 9.160 -1.924 -16.040 1.00 0.00 C ATOM 736 C GLY A 53 8.516 -0.701 -16.661 1.00 0.00 C ATOM 737 O GLY A 53 9.068 -0.101 -17.584 1.00 0.00 O ATOM 0 H GLY A 53 7.809 -2.666 -14.621 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.806 -1.613 -15.219 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.796 -2.411 -16.779 1.00 0.00 H new ATOM 741 N SER A 54 7.344 -0.330 -16.156 1.00 0.00 N ATOM 742 CA SER A 54 6.621 0.827 -16.671 1.00 0.00 C ATOM 743 C SER A 54 6.284 1.801 -15.547 1.00 0.00 C ATOM 744 O SER A 54 6.153 3.004 -15.771 1.00 0.00 O ATOM 745 CB SER A 54 5.338 0.381 -17.376 1.00 0.00 C ATOM 746 OG SER A 54 4.357 -0.028 -16.439 1.00 0.00 O ATOM 0 H SER A 54 6.875 -0.814 -15.391 1.00 0.00 H new ATOM 0 HA SER A 54 7.264 1.336 -17.389 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.948 1.200 -17.981 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.560 -0.441 -18.057 1.00 0.00 H new ATOM 0 HG SER A 54 3.547 -0.306 -16.914 1.00 0.00 H new ATOM 752 N GLY A 55 6.144 1.272 -14.335 1.00 0.00 N ATOM 753 CA GLY A 55 5.823 2.108 -13.193 1.00 0.00 C ATOM 754 C GLY A 55 4.337 2.383 -13.075 1.00 0.00 C ATOM 755 O GLY A 55 3.931 3.425 -12.562 1.00 0.00 O ATOM 0 H GLY A 55 6.247 0.279 -14.124 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.173 1.623 -12.282 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.359 3.054 -13.277 1.00 0.00 H new ATOM 759 N MET A 56 3.524 1.445 -13.551 1.00 0.00 N ATOM 760 CA MET A 56 2.074 1.592 -13.496 1.00 0.00 C ATOM 761 C MET A 56 1.409 0.277 -13.102 1.00 0.00 C ATOM 762 O MET A 56 1.740 -0.780 -13.636 1.00 0.00 O ATOM 763 CB MET A 56 1.536 2.064 -14.849 1.00 0.00 C ATOM 764 CG MET A 56 0.076 2.484 -14.809 1.00 0.00 C ATOM 765 SD MET A 56 -0.133 4.234 -14.427 1.00 0.00 S ATOM 766 CE MET A 56 -1.354 4.151 -13.120 1.00 0.00 C ATOM 0 H MET A 56 3.844 0.576 -13.979 1.00 0.00 H new ATOM 0 HA MET A 56 1.838 2.339 -12.739 1.00 0.00 H new ATOM 0 HB2 MET A 56 2.138 2.904 -15.197 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.655 1.262 -15.578 1.00 0.00 H new ATOM 0 HG2 MET A 56 -0.387 2.269 -15.772 1.00 0.00 H new ATOM 0 HG3 MET A 56 -0.449 1.888 -14.063 1.00 0.00 H new ATOM 0 HE1 MET A 56 -2.232 4.730 -13.405 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.642 3.112 -12.956 1.00 0.00 H new ATOM 0 HE3 MET A 56 -0.932 4.560 -12.202 1.00 0.00 H new ATOM 776 N GLU A 57 0.470 0.352 -12.163 1.00 0.00 N ATOM 777 CA GLU A 57 -0.240 -0.833 -11.698 1.00 0.00 C ATOM 778 C GLU A 57 -1.660 -0.871 -12.255 1.00 0.00 C ATOM 779 O GLU A 57 -2.297 0.167 -12.436 1.00 0.00 O ATOM 780 CB GLU A 57 -0.280 -0.863 -10.168 1.00 0.00 C ATOM 781 CG GLU A 57 -1.279 -1.859 -9.605 1.00 0.00 C ATOM 782 CD GLU A 57 -0.762 -3.284 -9.635 1.00 0.00 C ATOM 783 OE1 GLU A 57 -0.446 -3.777 -10.738 1.00 0.00 O ATOM 784 OE2 GLU A 57 -0.675 -3.907 -8.556 1.00 0.00 O ATOM 0 H GLU A 57 0.184 1.220 -11.710 1.00 0.00 H new ATOM 0 HA GLU A 57 0.296 -1.711 -12.058 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.714 -1.106 -9.792 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.526 0.133 -9.800 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.520 -1.585 -8.578 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.206 -1.801 -10.176 1.00 0.00 H new ATOM 791 N THR A 58 -2.150 -2.077 -12.527 1.00 0.00 N ATOM 792 CA THR A 58 -3.493 -2.252 -13.066 1.00 0.00 C ATOM 793 C THR A 58 -4.400 -2.955 -12.063 1.00 0.00 C ATOM 794 O THR A 58 -4.087 -4.047 -11.588 1.00 0.00 O ATOM 795 CB THR A 58 -3.472 -3.060 -14.377 1.00 0.00 C ATOM 796 OG1 THR A 58 -2.426 -2.582 -15.230 1.00 0.00 O ATOM 797 CG2 THR A 58 -4.808 -2.958 -15.097 1.00 0.00 C ATOM 0 H THR A 58 -1.637 -2.947 -12.383 1.00 0.00 H new ATOM 0 HA THR A 58 -3.884 -1.255 -13.269 1.00 0.00 H new ATOM 0 HB THR A 58 -3.290 -4.106 -14.131 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.418 -3.102 -16.061 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.769 -3.537 -16.020 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.598 -3.350 -14.456 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.016 -1.914 -15.332 1.00 0.00 H new ATOM 805 N ILE A 59 -5.526 -2.324 -11.746 1.00 0.00 N ATOM 806 CA ILE A 59 -6.479 -2.892 -10.801 1.00 0.00 C ATOM 807 C ILE A 59 -7.690 -3.474 -11.523 1.00 0.00 C ATOM 808 O ILE A 59 -8.619 -2.751 -11.880 1.00 0.00 O ATOM 809 CB ILE A 59 -6.959 -1.839 -9.785 1.00 0.00 C ATOM 810 CG1 ILE A 59 -5.763 -1.198 -9.077 1.00 0.00 C ATOM 811 CG2 ILE A 59 -7.904 -2.471 -8.773 1.00 0.00 C ATOM 812 CD1 ILE A 59 -5.179 -0.020 -9.825 1.00 0.00 C ATOM 0 H ILE A 59 -5.800 -1.420 -12.130 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.959 -3.689 -10.269 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.500 -1.059 -10.321 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.071 -0.871 -8.084 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.987 -1.951 -8.938 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.235 -1.714 -8.062 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -8.769 -2.884 -9.292 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.386 -3.268 -8.240 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.336 0.384 -9.265 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.840 -0.345 -10.808 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.941 0.751 -9.941 1.00 0.00 H new ATOM 824 N ASN A 60 -7.672 -4.786 -11.734 1.00 0.00 N ATOM 825 CA ASN A 60 -8.769 -5.466 -12.413 1.00 0.00 C ATOM 826 C ASN A 60 -9.935 -5.703 -11.459 1.00 0.00 C ATOM 827 O ASN A 60 -9.908 -6.626 -10.644 1.00 0.00 O ATOM 828 CB ASN A 60 -8.290 -6.798 -12.992 1.00 0.00 C ATOM 829 CG ASN A 60 -6.843 -6.746 -13.445 1.00 0.00 C ATOM 830 OD1 ASN A 60 -5.979 -7.412 -12.876 1.00 0.00 O ATOM 831 ND2 ASN A 60 -6.574 -5.950 -14.473 1.00 0.00 N ATOM 0 H ASN A 60 -6.910 -5.399 -11.445 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.112 -4.827 -13.226 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.405 -7.580 -12.241 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.922 -7.072 -13.836 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.619 -5.872 -14.822 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.323 -5.416 -14.914 1.00 0.00 H new ATOM 838 N THR A 61 -10.960 -4.864 -11.565 1.00 0.00 N ATOM 839 CA THR A 61 -12.136 -4.981 -10.713 1.00 0.00 C ATOM 840 C THR A 61 -13.416 -4.999 -11.541 1.00 0.00 C ATOM 841 O THR A 61 -13.843 -3.971 -12.065 1.00 0.00 O ATOM 842 CB THR A 61 -12.212 -3.825 -9.697 1.00 0.00 C ATOM 843 OG1 THR A 61 -13.481 -3.836 -9.035 1.00 0.00 O ATOM 844 CG2 THR A 61 -12.006 -2.485 -10.387 1.00 0.00 C ATOM 0 H THR A 61 -10.999 -4.095 -12.234 1.00 0.00 H new ATOM 0 HA THR A 61 -12.042 -5.923 -10.174 1.00 0.00 H new ATOM 0 HB THR A 61 -11.419 -3.964 -8.962 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.520 -3.099 -8.390 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.064 -1.684 -9.650 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.026 -2.469 -10.865 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.780 -2.341 -11.141 1.00 0.00 H new ATOM 852 N GLY A 62 -14.026 -6.175 -11.653 1.00 0.00 N ATOM 853 CA GLY A 62 -15.252 -6.305 -12.418 1.00 0.00 C ATOM 854 C GLY A 62 -15.034 -6.094 -13.904 1.00 0.00 C ATOM 855 O GLY A 62 -13.940 -6.303 -14.428 1.00 0.00 O ATOM 0 H GLY A 62 -13.693 -7.040 -11.227 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.676 -7.296 -12.253 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.982 -5.581 -12.055 1.00 0.00 H new ATOM 859 N PRO A 63 -16.094 -5.670 -14.607 1.00 0.00 N ATOM 860 CA PRO A 63 -16.039 -5.422 -16.051 1.00 0.00 C ATOM 861 C PRO A 63 -15.196 -4.199 -16.397 1.00 0.00 C ATOM 862 O PRO A 63 -15.082 -3.821 -17.563 1.00 0.00 O ATOM 863 CB PRO A 63 -17.504 -5.186 -16.427 1.00 0.00 C ATOM 864 CG PRO A 63 -18.144 -4.703 -15.172 1.00 0.00 C ATOM 865 CD PRO A 63 -17.429 -5.399 -14.047 1.00 0.00 C ATOM 0 HA PRO A 63 -15.575 -6.249 -16.589 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.594 -4.450 -17.226 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -17.974 -6.103 -16.784 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -18.055 -3.621 -15.080 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -19.208 -4.937 -15.162 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -17.372 -4.771 -13.158 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -17.937 -6.318 -13.756 1.00 0.00 H new ATOM 873 N PHE A 64 -14.608 -3.583 -15.377 1.00 0.00 N ATOM 874 CA PHE A 64 -13.776 -2.402 -15.573 1.00 0.00 C ATOM 875 C PHE A 64 -12.427 -2.565 -14.880 1.00 0.00 C ATOM 876 O PHE A 64 -12.213 -3.517 -14.130 1.00 0.00 O ATOM 877 CB PHE A 64 -14.489 -1.156 -15.042 1.00 0.00 C ATOM 878 CG PHE A 64 -15.324 -1.418 -13.821 1.00 0.00 C ATOM 879 CD1 PHE A 64 -14.763 -1.358 -12.556 1.00 0.00 C ATOM 880 CD2 PHE A 64 -16.670 -1.725 -13.939 1.00 0.00 C ATOM 881 CE1 PHE A 64 -15.529 -1.599 -11.431 1.00 0.00 C ATOM 882 CE2 PHE A 64 -17.441 -1.967 -12.818 1.00 0.00 C ATOM 883 CZ PHE A 64 -16.870 -1.903 -11.562 1.00 0.00 C ATOM 0 H PHE A 64 -14.692 -3.882 -14.406 1.00 0.00 H new ATOM 0 HA PHE A 64 -13.602 -2.284 -16.643 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -13.746 -0.394 -14.807 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -15.126 -0.749 -15.827 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -13.715 -1.120 -12.447 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -17.122 -1.776 -14.919 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -15.079 -1.550 -10.450 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -18.489 -2.206 -12.924 1.00 0.00 H new ATOM 0 HZ PHE A 64 -17.471 -2.090 -10.684 1.00 0.00 H new ATOM 893 N VAL A 65 -11.519 -1.628 -15.136 1.00 0.00 N ATOM 894 CA VAL A 65 -10.191 -1.667 -14.537 1.00 0.00 C ATOM 895 C VAL A 65 -9.681 -0.261 -14.240 1.00 0.00 C ATOM 896 O VAL A 65 -9.893 0.665 -15.022 1.00 0.00 O ATOM 897 CB VAL A 65 -9.182 -2.383 -15.455 1.00 0.00 C ATOM 898 CG1 VAL A 65 -9.235 -1.806 -16.861 1.00 0.00 C ATOM 899 CG2 VAL A 65 -7.776 -2.282 -14.881 1.00 0.00 C ATOM 0 H VAL A 65 -11.680 -0.833 -15.754 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.281 -2.223 -13.604 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.453 -3.437 -15.511 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.515 -2.325 -17.494 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.237 -1.935 -17.270 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.990 -0.744 -16.828 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.076 -2.793 -15.542 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.493 -1.233 -14.794 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.751 -2.748 -13.896 1.00 0.00 H new ATOM 909 N MET A 66 -9.008 -0.110 -13.104 1.00 0.00 N ATOM 910 CA MET A 66 -8.467 1.184 -12.703 1.00 0.00 C ATOM 911 C MET A 66 -6.970 1.258 -12.988 1.00 0.00 C ATOM 912 O MET A 66 -6.350 0.263 -13.364 1.00 0.00 O ATOM 913 CB MET A 66 -8.728 1.432 -11.216 1.00 0.00 C ATOM 914 CG MET A 66 -10.145 1.092 -10.783 1.00 0.00 C ATOM 915 SD MET A 66 -11.376 2.189 -11.513 1.00 0.00 S ATOM 916 CE MET A 66 -12.585 1.002 -12.093 1.00 0.00 C ATOM 0 H MET A 66 -8.824 -0.867 -12.445 1.00 0.00 H new ATOM 0 HA MET A 66 -8.969 1.956 -13.286 1.00 0.00 H new ATOM 0 HB2 MET A 66 -8.026 0.841 -10.629 1.00 0.00 H new ATOM 0 HB3 MET A 66 -8.529 2.480 -10.990 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.369 0.063 -11.063 1.00 0.00 H new ATOM 0 HG3 MET A 66 -10.212 1.148 -9.697 1.00 0.00 H new ATOM 0 HE1 MET A 66 -13.328 1.510 -12.707 1.00 0.00 H new ATOM 0 HE2 MET A 66 -12.087 0.235 -12.686 1.00 0.00 H new ATOM 0 HE3 MET A 66 -13.077 0.537 -11.239 1.00 0.00 H new ATOM 926 N ARG A 67 -6.396 2.443 -12.806 1.00 0.00 N ATOM 927 CA ARG A 67 -4.972 2.646 -13.045 1.00 0.00 C ATOM 928 C ARG A 67 -4.358 3.522 -11.957 1.00 0.00 C ATOM 929 O ARG A 67 -4.712 4.692 -11.815 1.00 0.00 O ATOM 930 CB ARG A 67 -4.750 3.287 -14.416 1.00 0.00 C ATOM 931 CG ARG A 67 -4.958 2.329 -15.578 1.00 0.00 C ATOM 932 CD ARG A 67 -3.667 1.618 -15.952 1.00 0.00 C ATOM 933 NE ARG A 67 -3.739 1.014 -17.279 1.00 0.00 N ATOM 934 CZ ARG A 67 -4.487 -0.046 -17.564 1.00 0.00 C ATOM 935 NH1 ARG A 67 -5.223 -0.616 -16.620 1.00 0.00 N ATOM 936 NH2 ARG A 67 -4.500 -0.538 -18.797 1.00 0.00 N ATOM 0 H ARG A 67 -6.895 3.276 -12.494 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.483 1.672 -13.023 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -5.430 4.132 -14.527 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.736 3.685 -14.462 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.716 1.593 -15.312 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.335 2.878 -16.441 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.840 2.328 -15.921 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.452 0.846 -15.214 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.185 1.429 -18.028 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -5.216 -0.241 -15.672 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -5.796 -1.430 -16.842 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.935 -0.102 -19.526 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.075 -1.352 -19.015 1.00 0.00 H new ATOM 950 N SER A 68 -3.436 2.946 -11.191 1.00 0.00 N ATOM 951 CA SER A 68 -2.776 3.673 -10.113 1.00 0.00 C ATOM 952 C SER A 68 -1.285 3.348 -10.073 1.00 0.00 C ATOM 953 O SER A 68 -0.869 2.241 -10.416 1.00 0.00 O ATOM 954 CB SER A 68 -3.421 3.330 -8.769 1.00 0.00 C ATOM 955 OG SER A 68 -3.254 4.386 -7.839 1.00 0.00 O ATOM 0 H SER A 68 -3.130 1.979 -11.297 1.00 0.00 H new ATOM 0 HA SER A 68 -2.893 4.740 -10.302 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.483 3.132 -8.912 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.977 2.417 -8.371 1.00 0.00 H new ATOM 0 HG SER A 68 -3.676 4.143 -6.989 1.00 0.00 H new ATOM 961 N THR A 69 -0.485 4.322 -9.650 1.00 0.00 N ATOM 962 CA THR A 69 0.959 4.142 -9.565 1.00 0.00 C ATOM 963 C THR A 69 1.310 2.855 -8.829 1.00 0.00 C ATOM 964 O THR A 69 0.702 2.524 -7.810 1.00 0.00 O ATOM 965 CB THR A 69 1.631 5.329 -8.850 1.00 0.00 C ATOM 966 OG1 THR A 69 1.298 6.553 -9.514 1.00 0.00 O ATOM 967 CG2 THR A 69 3.143 5.157 -8.821 1.00 0.00 C ATOM 0 H THR A 69 -0.813 5.244 -9.361 1.00 0.00 H new ATOM 0 HA THR A 69 1.332 4.085 -10.588 1.00 0.00 H new ATOM 0 HB THR A 69 1.265 5.362 -7.824 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.728 7.303 -9.052 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.596 6.007 -8.311 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.395 4.239 -8.290 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.522 5.101 -9.841 1.00 0.00 H new ATOM 975 N CYS A 70 2.295 2.131 -9.349 1.00 0.00 N ATOM 976 CA CYS A 70 2.729 0.879 -8.741 1.00 0.00 C ATOM 977 C CYS A 70 2.978 1.058 -7.246 1.00 0.00 C ATOM 978 O CYS A 70 3.136 2.179 -6.763 1.00 0.00 O ATOM 979 CB CYS A 70 3.999 0.368 -9.424 1.00 0.00 C ATOM 980 SG CYS A 70 4.318 -1.407 -9.169 1.00 0.00 S ATOM 0 H CYS A 70 2.808 2.390 -10.191 1.00 0.00 H new ATOM 0 HA CYS A 70 1.934 0.145 -8.874 1.00 0.00 H new ATOM 0 HB2 CYS A 70 3.927 0.563 -10.494 1.00 0.00 H new ATOM 0 HB3 CYS A 70 4.852 0.936 -9.053 1.00 0.00 H new ATOM 985 N ARG A 71 3.013 -0.055 -6.520 1.00 0.00 N ATOM 986 CA ARG A 71 3.243 -0.021 -5.081 1.00 0.00 C ATOM 987 C ARG A 71 4.475 -0.839 -4.707 1.00 0.00 C ATOM 988 O ARG A 71 5.170 -0.527 -3.740 1.00 0.00 O ATOM 989 CB ARG A 71 2.018 -0.555 -4.335 1.00 0.00 C ATOM 990 CG ARG A 71 0.756 0.258 -4.575 1.00 0.00 C ATOM 991 CD ARG A 71 -0.458 -0.397 -3.937 1.00 0.00 C ATOM 992 NE ARG A 71 -1.439 0.588 -3.488 1.00 0.00 N ATOM 993 CZ ARG A 71 -2.733 0.324 -3.344 1.00 0.00 C ATOM 994 NH1 ARG A 71 -3.199 -0.888 -3.611 1.00 0.00 N ATOM 995 NH2 ARG A 71 -3.563 1.273 -2.931 1.00 0.00 N ATOM 0 H ARG A 71 2.885 -0.991 -6.905 1.00 0.00 H new ATOM 0 HA ARG A 71 3.415 1.015 -4.791 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.839 -1.586 -4.639 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.232 -0.571 -3.266 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.885 1.261 -4.168 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.591 0.367 -5.647 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.924 -1.072 -4.654 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.139 -1.003 -3.089 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.112 1.530 -3.273 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.564 -1.620 -3.928 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.193 -1.088 -3.500 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.208 2.206 -2.724 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.556 1.069 -2.821 1.00 0.00 H new ATOM 1009 N ARG A 72 4.741 -1.887 -5.481 1.00 0.00 N ATOM 1010 CA ARG A 72 5.888 -2.750 -5.231 1.00 0.00 C ATOM 1011 C ARG A 72 7.195 -2.008 -5.495 1.00 0.00 C ATOM 1012 O ARG A 72 8.094 -1.993 -4.653 1.00 0.00 O ATOM 1013 CB ARG A 72 5.813 -4.001 -6.108 1.00 0.00 C ATOM 1014 CG ARG A 72 4.805 -5.029 -5.620 1.00 0.00 C ATOM 1015 CD ARG A 72 5.310 -5.763 -4.388 1.00 0.00 C ATOM 1016 NE ARG A 72 4.653 -7.055 -4.213 1.00 0.00 N ATOM 1017 CZ ARG A 72 5.179 -8.059 -3.519 1.00 0.00 C ATOM 1018 NH1 ARG A 72 6.362 -7.919 -2.938 1.00 0.00 N ATOM 1019 NH2 ARG A 72 4.520 -9.205 -3.406 1.00 0.00 N ATOM 0 H ARG A 72 4.177 -2.158 -6.286 1.00 0.00 H new ATOM 0 HA ARG A 72 5.865 -3.048 -4.183 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.555 -3.706 -7.125 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.799 -4.464 -6.151 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.862 -4.534 -5.389 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.602 -5.747 -6.415 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.387 -5.912 -4.471 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.140 -5.148 -3.505 1.00 0.00 H new ATOM 0 HE ARG A 72 3.741 -7.195 -4.647 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.871 -7.039 -3.023 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.763 -8.691 -2.406 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.609 -9.316 -3.852 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.924 -9.975 -2.873 1.00 0.00 H new ATOM 1033 N CYS A 73 7.294 -1.395 -6.669 1.00 0.00 N ATOM 1034 CA CYS A 73 8.490 -0.652 -7.046 1.00 0.00 C ATOM 1035 C CYS A 73 8.353 0.823 -6.678 1.00 0.00 C ATOM 1036 O CYS A 73 9.274 1.425 -6.129 1.00 0.00 O ATOM 1037 CB CYS A 73 8.752 -0.792 -8.547 1.00 0.00 C ATOM 1038 SG CYS A 73 7.370 -0.240 -9.597 1.00 0.00 S ATOM 0 H CYS A 73 6.559 -1.398 -7.377 1.00 0.00 H new ATOM 0 HA CYS A 73 9.334 -1.069 -6.496 1.00 0.00 H new ATOM 0 HB2 CYS A 73 9.642 -0.218 -8.805 1.00 0.00 H new ATOM 0 HB3 CYS A 73 8.970 -1.836 -8.771 1.00 0.00 H new ATOM 1043 N GLY A 74 7.194 1.399 -6.985 1.00 0.00 N ATOM 1044 CA GLY A 74 6.957 2.797 -6.680 1.00 0.00 C ATOM 1045 C GLY A 74 7.027 3.679 -7.910 1.00 0.00 C ATOM 1046 O GLY A 74 7.426 4.840 -7.829 1.00 0.00 O ATOM 0 H GLY A 74 6.416 0.922 -7.439 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.976 2.903 -6.216 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.693 3.136 -5.951 1.00 0.00 H new ATOM 1050 N GLY A 75 6.638 3.127 -9.056 1.00 0.00 N ATOM 1051 CA GLY A 75 6.668 3.885 -10.293 1.00 0.00 C ATOM 1052 C GLY A 75 8.062 3.982 -10.880 1.00 0.00 C ATOM 1053 O GLY A 75 8.446 5.022 -11.416 1.00 0.00 O ATOM 0 H GLY A 75 6.303 2.168 -9.149 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.003 3.416 -11.019 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.284 4.888 -10.110 1.00 0.00 H new ATOM 1057 N ARG A 76 8.823 2.897 -10.778 1.00 0.00 N ATOM 1058 CA ARG A 76 10.183 2.866 -11.300 1.00 0.00 C ATOM 1059 C ARG A 76 10.353 1.733 -12.308 1.00 0.00 C ATOM 1060 O ARG A 76 11.067 1.872 -13.300 1.00 0.00 O ATOM 1061 CB ARG A 76 11.187 2.701 -10.158 1.00 0.00 C ATOM 1062 CG ARG A 76 12.604 2.416 -10.629 1.00 0.00 C ATOM 1063 CD ARG A 76 13.396 3.700 -10.820 1.00 0.00 C ATOM 1064 NE ARG A 76 13.260 4.231 -12.173 1.00 0.00 N ATOM 1065 CZ ARG A 76 13.721 3.613 -13.255 1.00 0.00 C ATOM 1066 NH1 ARG A 76 14.344 2.448 -13.142 1.00 0.00 N ATOM 1067 NH2 ARG A 76 13.559 4.160 -14.453 1.00 0.00 N ATOM 0 H ARG A 76 8.520 2.028 -10.338 1.00 0.00 H new ATOM 0 HA ARG A 76 10.372 3.812 -11.807 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.190 3.608 -9.554 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.858 1.888 -9.511 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.109 1.780 -9.902 1.00 0.00 H new ATOM 0 HG3 ARG A 76 12.572 1.864 -11.568 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.055 4.446 -10.102 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.449 3.511 -10.609 1.00 0.00 H new ATOM 0 HE ARG A 76 12.785 5.125 -12.294 1.00 0.00 H new ATOM 0 HH11 ARG A 76 14.470 2.024 -12.223 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.697 1.976 -13.974 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.080 5.056 -14.544 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.913 3.685 -15.283 1.00 0.00 H new ATOM 1081 N GLY A 77 9.690 0.610 -12.045 1.00 0.00 N ATOM 1082 CA GLY A 77 9.781 -0.531 -12.938 1.00 0.00 C ATOM 1083 C GLY A 77 10.602 -1.662 -12.351 1.00 0.00 C ATOM 1084 O GLY A 77 10.665 -2.752 -12.919 1.00 0.00 O ATOM 0 H GLY A 77 9.092 0.470 -11.230 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.778 -0.893 -13.163 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.225 -0.215 -13.882 1.00 0.00 H new ATOM 1088 N SER A 78 11.234 -1.403 -11.210 1.00 0.00 N ATOM 1089 CA SER A 78 12.059 -2.407 -10.549 1.00 0.00 C ATOM 1090 C SER A 78 12.090 -2.177 -9.041 1.00 0.00 C ATOM 1091 O SER A 78 11.737 -1.100 -8.559 1.00 0.00 O ATOM 1092 CB SER A 78 13.482 -2.377 -11.109 1.00 0.00 C ATOM 1093 OG SER A 78 13.483 -2.591 -12.510 1.00 0.00 O ATOM 0 H SER A 78 11.190 -0.507 -10.725 1.00 0.00 H new ATOM 0 HA SER A 78 11.620 -3.386 -10.741 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.944 -1.416 -10.884 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.085 -3.143 -10.620 1.00 0.00 H new ATOM 0 HG SER A 78 14.404 -2.566 -12.844 1.00 0.00 H new ATOM 1099 N ILE A 79 12.514 -3.196 -8.302 1.00 0.00 N ATOM 1100 CA ILE A 79 12.592 -3.106 -6.849 1.00 0.00 C ATOM 1101 C ILE A 79 13.986 -2.681 -6.399 1.00 0.00 C ATOM 1102 O ILE A 79 14.975 -3.355 -6.688 1.00 0.00 O ATOM 1103 CB ILE A 79 12.236 -4.447 -6.182 1.00 0.00 C ATOM 1104 CG1 ILE A 79 10.767 -4.793 -6.434 1.00 0.00 C ATOM 1105 CG2 ILE A 79 12.523 -4.389 -4.689 1.00 0.00 C ATOM 1106 CD1 ILE A 79 10.544 -5.605 -7.690 1.00 0.00 C ATOM 0 H ILE A 79 12.809 -4.094 -8.685 1.00 0.00 H new ATOM 0 HA ILE A 79 11.867 -2.353 -6.540 1.00 0.00 H new ATOM 0 HB ILE A 79 12.855 -5.230 -6.621 1.00 0.00 H new ATOM 0 HG12 ILE A 79 10.381 -5.348 -5.579 1.00 0.00 H new ATOM 0 HG13 ILE A 79 10.191 -3.870 -6.501 1.00 0.00 H new ATOM 0 HG21 ILE A 79 12.266 -5.345 -4.232 1.00 0.00 H new ATOM 0 HG22 ILE A 79 13.582 -4.183 -4.530 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.927 -3.597 -4.234 1.00 0.00 H new ATOM 0 HD11 ILE A 79 9.480 -5.813 -7.805 1.00 0.00 H new ATOM 0 HD12 ILE A 79 10.899 -5.043 -8.554 1.00 0.00 H new ATOM 0 HD13 ILE A 79 11.092 -6.545 -7.618 1.00 0.00 H new ATOM 1118 N ILE A 80 14.056 -1.561 -5.688 1.00 0.00 N ATOM 1119 CA ILE A 80 15.328 -1.048 -5.195 1.00 0.00 C ATOM 1120 C ILE A 80 15.555 -1.447 -3.740 1.00 0.00 C ATOM 1121 O ILE A 80 15.052 -0.797 -2.823 1.00 0.00 O ATOM 1122 CB ILE A 80 15.400 0.486 -5.312 1.00 0.00 C ATOM 1123 CG1 ILE A 80 15.477 0.903 -6.782 1.00 0.00 C ATOM 1124 CG2 ILE A 80 16.598 1.020 -4.541 1.00 0.00 C ATOM 1125 CD1 ILE A 80 15.242 2.381 -7.003 1.00 0.00 C ATOM 0 H ILE A 80 13.247 -0.991 -5.440 1.00 0.00 H new ATOM 0 HA ILE A 80 16.108 -1.488 -5.816 1.00 0.00 H new ATOM 0 HB ILE A 80 14.495 0.912 -4.879 1.00 0.00 H new ATOM 0 HG12 ILE A 80 16.458 0.636 -7.176 1.00 0.00 H new ATOM 0 HG13 ILE A 80 14.740 0.337 -7.351 1.00 0.00 H new ATOM 0 HG21 ILE A 80 16.636 2.105 -4.633 1.00 0.00 H new ATOM 0 HG22 ILE A 80 16.505 0.748 -3.490 1.00 0.00 H new ATOM 0 HG23 ILE A 80 17.513 0.590 -4.947 1.00 0.00 H new ATOM 0 HD11 ILE A 80 15.311 2.605 -8.067 1.00 0.00 H new ATOM 0 HD12 ILE A 80 14.250 2.650 -6.639 1.00 0.00 H new ATOM 0 HD13 ILE A 80 15.995 2.954 -6.462 1.00 0.00 H new ATOM 1137 N ILE A 81 16.316 -2.517 -3.537 1.00 0.00 N ATOM 1138 CA ILE A 81 16.611 -3.000 -2.194 1.00 0.00 C ATOM 1139 C ILE A 81 16.836 -1.840 -1.230 1.00 0.00 C ATOM 1140 O ILE A 81 16.409 -1.887 -0.077 1.00 0.00 O ATOM 1141 CB ILE A 81 17.854 -3.909 -2.184 1.00 0.00 C ATOM 1142 CG1 ILE A 81 17.834 -4.851 -3.390 1.00 0.00 C ATOM 1143 CG2 ILE A 81 17.920 -4.702 -0.887 1.00 0.00 C ATOM 1144 CD1 ILE A 81 16.469 -5.436 -3.676 1.00 0.00 C ATOM 0 H ILE A 81 16.739 -3.066 -4.285 1.00 0.00 H new ATOM 0 HA ILE A 81 15.746 -3.577 -1.869 1.00 0.00 H new ATOM 0 HB ILE A 81 18.744 -3.283 -2.250 1.00 0.00 H new ATOM 0 HG12 ILE A 81 18.180 -4.309 -4.270 1.00 0.00 H new ATOM 0 HG13 ILE A 81 18.540 -5.663 -3.218 1.00 0.00 H new ATOM 0 HG21 ILE A 81 18.804 -5.340 -0.895 1.00 0.00 H new ATOM 0 HG22 ILE A 81 17.976 -4.015 -0.043 1.00 0.00 H new ATOM 0 HG23 ILE A 81 17.027 -5.320 -0.793 1.00 0.00 H new ATOM 0 HD11 ILE A 81 16.529 -6.094 -4.543 1.00 0.00 H new ATOM 0 HD12 ILE A 81 16.129 -6.006 -2.811 1.00 0.00 H new ATOM 0 HD13 ILE A 81 15.763 -4.631 -3.880 1.00 0.00 H new ATOM 1156 N SER A 82 17.508 -0.799 -1.711 1.00 0.00 N ATOM 1157 CA SER A 82 17.791 0.373 -0.892 1.00 0.00 C ATOM 1158 C SER A 82 17.785 1.642 -1.738 1.00 0.00 C ATOM 1159 O SER A 82 18.513 1.765 -2.723 1.00 0.00 O ATOM 1160 CB SER A 82 19.144 0.219 -0.193 1.00 0.00 C ATOM 1161 OG SER A 82 19.142 0.861 1.070 1.00 0.00 O ATOM 0 H SER A 82 17.867 -0.744 -2.664 1.00 0.00 H new ATOM 0 HA SER A 82 17.008 0.456 -0.138 1.00 0.00 H new ATOM 0 HB2 SER A 82 19.373 -0.839 -0.066 1.00 0.00 H new ATOM 0 HB3 SER A 82 19.930 0.642 -0.818 1.00 0.00 H new ATOM 0 HG SER A 82 19.844 1.545 1.090 1.00 0.00 H new ATOM 1167 N PRO A 83 16.943 2.610 -1.346 1.00 0.00 N ATOM 1168 CA PRO A 83 16.821 3.888 -2.053 1.00 0.00 C ATOM 1169 C PRO A 83 18.059 4.763 -1.888 1.00 0.00 C ATOM 1170 O PRO A 83 18.658 4.813 -0.813 1.00 0.00 O ATOM 1171 CB PRO A 83 15.609 4.547 -1.390 1.00 0.00 C ATOM 1172 CG PRO A 83 15.547 3.942 -0.030 1.00 0.00 C ATOM 1173 CD PRO A 83 16.046 2.532 -0.180 1.00 0.00 C ATOM 0 HA PRO A 83 16.713 3.749 -3.129 1.00 0.00 H new ATOM 0 HB2 PRO A 83 15.726 5.629 -1.337 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.696 4.353 -1.952 1.00 0.00 H new ATOM 0 HG2 PRO A 83 16.163 4.501 0.674 1.00 0.00 H new ATOM 0 HG3 PRO A 83 14.528 3.956 0.357 1.00 0.00 H new ATOM 0 HD2 PRO A 83 16.575 2.196 0.712 1.00 0.00 H new ATOM 0 HD3 PRO A 83 15.228 1.832 -0.349 1.00 0.00 H new ATOM 1181 N CYS A 84 18.439 5.451 -2.960 1.00 0.00 N ATOM 1182 CA CYS A 84 19.606 6.324 -2.934 1.00 0.00 C ATOM 1183 C CYS A 84 19.660 7.122 -1.635 1.00 0.00 C ATOM 1184 O CYS A 84 18.653 7.273 -0.943 1.00 0.00 O ATOM 1185 CB CYS A 84 19.582 7.278 -4.130 1.00 0.00 C ATOM 1186 SG CYS A 84 21.186 8.065 -4.487 1.00 0.00 S ATOM 0 H CYS A 84 17.955 5.420 -3.857 1.00 0.00 H new ATOM 0 HA CYS A 84 20.497 5.699 -2.993 1.00 0.00 H new ATOM 0 HB2 CYS A 84 19.255 6.729 -5.013 1.00 0.00 H new ATOM 0 HB3 CYS A 84 18.841 8.056 -3.946 1.00 0.00 H new ATOM 1191 N VAL A 85 20.844 7.631 -1.309 1.00 0.00 N ATOM 1192 CA VAL A 85 21.031 8.415 -0.093 1.00 0.00 C ATOM 1193 C VAL A 85 21.302 9.879 -0.420 1.00 0.00 C ATOM 1194 O VAL A 85 21.419 10.715 0.477 1.00 0.00 O ATOM 1195 CB VAL A 85 22.192 7.865 0.756 1.00 0.00 C ATOM 1196 CG1 VAL A 85 21.954 6.404 1.105 1.00 0.00 C ATOM 1197 CG2 VAL A 85 23.515 8.039 0.026 1.00 0.00 C ATOM 0 H VAL A 85 21.688 7.515 -1.870 1.00 0.00 H new ATOM 0 HA VAL A 85 20.106 8.339 0.479 1.00 0.00 H new ATOM 0 HB VAL A 85 22.239 8.432 1.686 1.00 0.00 H new ATOM 0 HG11 VAL A 85 22.785 6.033 1.705 1.00 0.00 H new ATOM 0 HG12 VAL A 85 21.028 6.312 1.672 1.00 0.00 H new ATOM 0 HG13 VAL A 85 21.879 5.819 0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 85 24.324 7.645 0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 85 23.482 7.499 -0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 85 23.688 9.098 -0.166 1.00 0.00 H new ATOM 1207 N VAL A 86 21.402 10.183 -1.710 1.00 0.00 N ATOM 1208 CA VAL A 86 21.658 11.548 -2.156 1.00 0.00 C ATOM 1209 C VAL A 86 20.368 12.237 -2.585 1.00 0.00 C ATOM 1210 O VAL A 86 20.041 13.322 -2.103 1.00 0.00 O ATOM 1211 CB VAL A 86 22.657 11.576 -3.328 1.00 0.00 C ATOM 1212 CG1 VAL A 86 22.314 12.699 -4.295 1.00 0.00 C ATOM 1213 CG2 VAL A 86 24.080 11.724 -2.811 1.00 0.00 C ATOM 0 H VAL A 86 21.310 9.503 -2.465 1.00 0.00 H new ATOM 0 HA VAL A 86 22.087 12.083 -1.309 1.00 0.00 H new ATOM 0 HB VAL A 86 22.586 10.631 -3.866 1.00 0.00 H new ATOM 0 HG11 VAL A 86 23.030 12.703 -5.116 1.00 0.00 H new ATOM 0 HG12 VAL A 86 21.310 12.545 -4.690 1.00 0.00 H new ATOM 0 HG13 VAL A 86 22.356 13.655 -3.772 1.00 0.00 H new ATOM 0 HG21 VAL A 86 24.773 11.742 -3.652 1.00 0.00 H new ATOM 0 HG22 VAL A 86 24.168 12.654 -2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 86 24.320 10.883 -2.161 1.00 0.00 H new ATOM 1223 N CYS A 87 19.638 11.601 -3.495 1.00 0.00 N ATOM 1224 CA CYS A 87 18.383 12.152 -3.991 1.00 0.00 C ATOM 1225 C CYS A 87 17.189 11.437 -3.363 1.00 0.00 C ATOM 1226 O CYS A 87 16.056 11.911 -3.444 1.00 0.00 O ATOM 1227 CB CYS A 87 18.317 12.035 -5.515 1.00 0.00 C ATOM 1228 SG CYS A 87 18.360 10.321 -6.132 1.00 0.00 S ATOM 0 H CYS A 87 19.895 10.703 -3.904 1.00 0.00 H new ATOM 0 HA CYS A 87 18.342 13.205 -3.712 1.00 0.00 H new ATOM 0 HB2 CYS A 87 17.403 12.513 -5.866 1.00 0.00 H new ATOM 0 HB3 CYS A 87 19.152 12.587 -5.948 1.00 0.00 H new ATOM 1233 N ARG A 88 17.453 10.295 -2.736 1.00 0.00 N ATOM 1234 CA ARG A 88 16.402 9.515 -2.095 1.00 0.00 C ATOM 1235 C ARG A 88 15.402 9.000 -3.125 1.00 0.00 C ATOM 1236 O ARG A 88 14.191 9.125 -2.947 1.00 0.00 O ATOM 1237 CB ARG A 88 15.679 10.360 -1.044 1.00 0.00 C ATOM 1238 CG ARG A 88 16.618 11.106 -0.111 1.00 0.00 C ATOM 1239 CD ARG A 88 17.731 10.203 0.397 1.00 0.00 C ATOM 1240 NE ARG A 88 18.225 10.626 1.705 1.00 0.00 N ATOM 1241 CZ ARG A 88 17.514 10.537 2.823 1.00 0.00 C ATOM 1242 NH1 ARG A 88 16.284 10.042 2.793 1.00 0.00 N ATOM 1243 NH2 ARG A 88 18.033 10.943 3.975 1.00 0.00 N ATOM 0 H ARG A 88 18.386 9.890 -2.659 1.00 0.00 H new ATOM 0 HA ARG A 88 16.867 8.659 -1.606 1.00 0.00 H new ATOM 0 HB2 ARG A 88 15.035 11.080 -1.549 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.031 9.713 -0.453 1.00 0.00 H new ATOM 0 HG2 ARG A 88 17.050 11.959 -0.634 1.00 0.00 H new ATOM 0 HG3 ARG A 88 16.055 11.502 0.734 1.00 0.00 H new ATOM 0 HD2 ARG A 88 17.365 9.178 0.462 1.00 0.00 H new ATOM 0 HD3 ARG A 88 18.553 10.203 -0.319 1.00 0.00 H new ATOM 0 HE ARG A 88 19.168 11.011 1.763 1.00 0.00 H new ATOM 0 HH11 ARG A 88 15.882 9.728 1.910 1.00 0.00 H new ATOM 0 HH12 ARG A 88 15.740 9.975 3.653 1.00 0.00 H new ATOM 0 HH21 ARG A 88 18.979 11.324 4.002 1.00 0.00 H new ATOM 0 HH22 ARG A 88 17.486 10.874 4.833 1.00 0.00 H new ATOM 1257 N GLY A 89 15.918 8.420 -4.205 1.00 0.00 N ATOM 1258 CA GLY A 89 15.057 7.896 -5.249 1.00 0.00 C ATOM 1259 C GLY A 89 14.276 8.985 -5.958 1.00 0.00 C ATOM 1260 O GLY A 89 13.091 8.820 -6.246 1.00 0.00 O ATOM 0 H GLY A 89 16.917 8.304 -4.375 1.00 0.00 H new ATOM 0 HA2 GLY A 89 15.662 7.355 -5.977 1.00 0.00 H new ATOM 0 HA3 GLY A 89 14.361 7.178 -4.815 1.00 0.00 H new ATOM 1264 N ALA A 90 14.941 10.101 -6.238 1.00 0.00 N ATOM 1265 CA ALA A 90 14.302 11.220 -6.918 1.00 0.00 C ATOM 1266 C ALA A 90 14.734 11.295 -8.379 1.00 0.00 C ATOM 1267 O ALA A 90 13.952 11.677 -9.249 1.00 0.00 O ATOM 1268 CB ALA A 90 14.623 12.524 -6.204 1.00 0.00 C ATOM 0 H ALA A 90 15.922 10.254 -6.004 1.00 0.00 H new ATOM 0 HA ALA A 90 13.224 11.060 -6.893 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.139 13.352 -6.723 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.258 12.476 -5.178 1.00 0.00 H new ATOM 0 HB3 ALA A 90 15.702 12.680 -6.199 1.00 0.00 H new ATOM 1274 N GLY A 91 15.985 10.928 -8.641 1.00 0.00 N ATOM 1275 CA GLY A 91 16.499 10.962 -9.997 1.00 0.00 C ATOM 1276 C GLY A 91 17.285 12.225 -10.288 1.00 0.00 C ATOM 1277 O GLY A 91 18.038 12.284 -11.259 1.00 0.00 O ATOM 0 H GLY A 91 16.651 10.608 -7.938 1.00 0.00 H new ATOM 0 HA2 GLY A 91 17.138 10.094 -10.162 1.00 0.00 H new ATOM 0 HA3 GLY A 91 15.669 10.885 -10.699 1.00 0.00 H new ATOM 1281 N GLN A 92 17.108 13.237 -9.446 1.00 0.00 N ATOM 1282 CA GLN A 92 17.806 14.506 -9.619 1.00 0.00 C ATOM 1283 C GLN A 92 18.133 15.136 -8.270 1.00 0.00 C ATOM 1284 O GLN A 92 17.380 14.992 -7.307 1.00 0.00 O ATOM 1285 CB GLN A 92 16.958 15.468 -10.453 1.00 0.00 C ATOM 1286 CG GLN A 92 16.808 15.045 -11.905 1.00 0.00 C ATOM 1287 CD GLN A 92 15.554 15.602 -12.549 1.00 0.00 C ATOM 1288 OE1 GLN A 92 15.430 16.811 -12.751 1.00 0.00 O ATOM 1289 NE2 GLN A 92 14.614 14.722 -12.875 1.00 0.00 N ATOM 0 H GLN A 92 16.488 13.204 -8.637 1.00 0.00 H new ATOM 0 HA GLN A 92 18.741 14.309 -10.143 1.00 0.00 H new ATOM 0 HB2 GLN A 92 15.969 15.550 -10.003 1.00 0.00 H new ATOM 0 HB3 GLN A 92 17.408 16.460 -10.417 1.00 0.00 H new ATOM 0 HG2 GLN A 92 17.680 15.378 -12.468 1.00 0.00 H new ATOM 0 HG3 GLN A 92 16.788 13.957 -11.962 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.758 13.729 -12.690 1.00 0.00 H new ATOM 0 HE22 GLN A 92 13.748 15.039 -13.311 1.00 0.00 H new ATOM 1298 N ALA A 93 19.262 15.835 -8.207 1.00 0.00 N ATOM 1299 CA ALA A 93 19.688 16.489 -6.976 1.00 0.00 C ATOM 1300 C ALA A 93 20.375 17.818 -7.269 1.00 0.00 C ATOM 1301 O ALA A 93 20.593 18.174 -8.428 1.00 0.00 O ATOM 1302 CB ALA A 93 20.616 15.576 -6.188 1.00 0.00 C ATOM 0 H ALA A 93 19.898 15.963 -8.994 1.00 0.00 H new ATOM 0 HA ALA A 93 18.801 16.693 -6.377 1.00 0.00 H new ATOM 0 HB1 ALA A 93 20.927 16.077 -5.271 1.00 0.00 H new ATOM 0 HB2 ALA A 93 20.092 14.653 -5.938 1.00 0.00 H new ATOM 0 HB3 ALA A 93 21.495 15.343 -6.790 1.00 0.00 H new ATOM 1308 N LYS A 94 20.712 18.551 -6.213 1.00 0.00 N ATOM 1309 CA LYS A 94 21.374 19.842 -6.357 1.00 0.00 C ATOM 1310 C LYS A 94 22.840 19.662 -6.738 1.00 0.00 C ATOM 1311 O LYS A 94 23.646 19.192 -5.935 1.00 0.00 O ATOM 1312 CB LYS A 94 21.269 20.640 -5.055 1.00 0.00 C ATOM 1313 CG LYS A 94 21.604 19.828 -3.816 1.00 0.00 C ATOM 1314 CD LYS A 94 21.696 20.709 -2.581 1.00 0.00 C ATOM 1315 CE LYS A 94 21.926 19.884 -1.324 1.00 0.00 C ATOM 1316 NZ LYS A 94 22.547 20.691 -0.237 1.00 0.00 N ATOM 0 H LYS A 94 20.537 18.273 -5.247 1.00 0.00 H new ATOM 0 HA LYS A 94 20.874 20.392 -7.155 1.00 0.00 H new ATOM 0 HB2 LYS A 94 21.939 21.498 -5.109 1.00 0.00 H new ATOM 0 HB3 LYS A 94 20.256 21.032 -4.960 1.00 0.00 H new ATOM 0 HG2 LYS A 94 20.842 19.064 -3.663 1.00 0.00 H new ATOM 0 HG3 LYS A 94 22.551 19.309 -3.965 1.00 0.00 H new ATOM 0 HD2 LYS A 94 22.510 21.424 -2.702 1.00 0.00 H new ATOM 0 HD3 LYS A 94 20.778 21.287 -2.475 1.00 0.00 H new ATOM 0 HE2 LYS A 94 20.976 19.478 -0.977 1.00 0.00 H new ATOM 0 HE3 LYS A 94 22.569 19.036 -1.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 22.688 20.093 0.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 23.466 21.058 -0.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 21.922 21.486 0.005 1.00 0.00 H new ATOM 1330 N GLN A 95 23.178 20.040 -7.967 1.00 0.00 N ATOM 1331 CA GLN A 95 24.548 19.920 -8.452 1.00 0.00 C ATOM 1332 C GLN A 95 25.231 21.283 -8.495 1.00 0.00 C ATOM 1333 O GLN A 95 24.592 22.316 -8.298 1.00 0.00 O ATOM 1334 CB GLN A 95 24.564 19.284 -9.843 1.00 0.00 C ATOM 1335 CG GLN A 95 24.083 17.842 -9.859 1.00 0.00 C ATOM 1336 CD GLN A 95 24.305 17.139 -8.535 1.00 0.00 C ATOM 1337 OE1 GLN A 95 23.330 17.242 -7.639 1.00 0.00 O flip ATOM 1338 NE2 GLN A 95 25.341 16.509 -8.319 1.00 0.00 N flip ATOM 0 H GLN A 95 22.523 20.431 -8.644 1.00 0.00 H new ATOM 0 HA GLN A 95 25.097 19.280 -7.761 1.00 0.00 H new ATOM 0 HB2 GLN A 95 23.937 19.875 -10.511 1.00 0.00 H new ATOM 0 HB3 GLN A 95 25.578 19.324 -10.240 1.00 0.00 H new ATOM 0 HG2 GLN A 95 23.021 17.820 -10.104 1.00 0.00 H new ATOM 0 HG3 GLN A 95 24.604 17.298 -10.647 1.00 0.00 H new ATOM 0 HE21 GLN A 95 26.064 16.456 -9.036 1.00 0.00 H new ATOM 0 HE22 GLN A 95 25.476 16.040 -7.423 1.00 0.00 H new ATOM 1347 N LYS A 96 26.535 21.278 -8.753 1.00 0.00 N ATOM 1348 CA LYS A 96 27.306 22.513 -8.823 1.00 0.00 C ATOM 1349 C LYS A 96 27.548 22.922 -10.272 1.00 0.00 C ATOM 1350 O LYS A 96 28.667 23.269 -10.652 1.00 0.00 O ATOM 1351 CB LYS A 96 28.644 22.344 -8.099 1.00 0.00 C ATOM 1352 CG LYS A 96 29.537 21.279 -8.711 1.00 0.00 C ATOM 1353 CD LYS A 96 30.962 21.382 -8.196 1.00 0.00 C ATOM 1354 CE LYS A 96 31.093 20.799 -6.797 1.00 0.00 C ATOM 1355 NZ LYS A 96 30.969 19.315 -6.801 1.00 0.00 N ATOM 0 H LYS A 96 27.080 20.431 -8.917 1.00 0.00 H new ATOM 0 HA LYS A 96 26.731 23.299 -8.334 1.00 0.00 H new ATOM 0 HB2 LYS A 96 29.173 23.297 -8.104 1.00 0.00 H new ATOM 0 HB3 LYS A 96 28.454 22.091 -7.056 1.00 0.00 H new ATOM 0 HG2 LYS A 96 29.137 20.292 -8.481 1.00 0.00 H new ATOM 0 HG3 LYS A 96 29.533 21.380 -9.796 1.00 0.00 H new ATOM 0 HD2 LYS A 96 31.634 20.857 -8.875 1.00 0.00 H new ATOM 0 HD3 LYS A 96 31.272 22.427 -8.186 1.00 0.00 H new ATOM 0 HE2 LYS A 96 32.057 21.082 -6.374 1.00 0.00 H new ATOM 0 HE3 LYS A 96 30.325 21.226 -6.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 31.342 18.933 -5.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 29.968 19.051 -6.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 31.511 18.924 -7.598 1.00 0.00 H new ATOM 1369 N LYS A 97 26.493 22.881 -11.078 1.00 0.00 N ATOM 1370 CA LYS A 97 26.589 23.250 -12.486 1.00 0.00 C ATOM 1371 C LYS A 97 25.792 24.518 -12.771 1.00 0.00 C ATOM 1372 O LYS A 97 24.759 24.767 -12.149 1.00 0.00 O ATOM 1373 CB LYS A 97 26.084 22.107 -13.369 1.00 0.00 C ATOM 1374 CG LYS A 97 26.680 22.109 -14.766 1.00 0.00 C ATOM 1375 CD LYS A 97 28.152 21.731 -14.745 1.00 0.00 C ATOM 1376 CE LYS A 97 28.341 20.225 -14.842 1.00 0.00 C ATOM 1377 NZ LYS A 97 29.774 19.856 -15.014 1.00 0.00 N ATOM 0 H LYS A 97 25.560 22.596 -10.780 1.00 0.00 H new ATOM 0 HA LYS A 97 27.637 23.442 -12.716 1.00 0.00 H new ATOM 0 HB2 LYS A 97 26.314 21.157 -12.886 1.00 0.00 H new ATOM 0 HB3 LYS A 97 24.999 22.171 -13.446 1.00 0.00 H new ATOM 0 HG2 LYS A 97 26.133 21.409 -15.397 1.00 0.00 H new ATOM 0 HG3 LYS A 97 26.564 23.097 -15.211 1.00 0.00 H new ATOM 0 HD2 LYS A 97 28.666 22.218 -15.574 1.00 0.00 H new ATOM 0 HD3 LYS A 97 28.610 22.098 -13.827 1.00 0.00 H new ATOM 0 HE2 LYS A 97 27.949 19.751 -13.942 1.00 0.00 H new ATOM 0 HE3 LYS A 97 27.763 19.840 -15.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 29.861 18.822 -15.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 30.141 20.287 -15.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 30.321 20.201 -14.200 1.00 0.00 H new ATOM 1391 N ARG A 98 26.277 25.316 -13.717 1.00 0.00 N ATOM 1392 CA ARG A 98 25.608 26.559 -14.085 1.00 0.00 C ATOM 1393 C ARG A 98 24.731 26.360 -15.317 1.00 0.00 C ATOM 1394 O ARG A 98 25.218 26.369 -16.447 1.00 0.00 O ATOM 1395 CB ARG A 98 26.639 27.657 -14.352 1.00 0.00 C ATOM 1396 CG ARG A 98 26.031 29.044 -14.482 1.00 0.00 C ATOM 1397 CD ARG A 98 27.097 30.098 -14.739 1.00 0.00 C ATOM 1398 NE ARG A 98 27.460 30.176 -16.152 1.00 0.00 N ATOM 1399 CZ ARG A 98 26.782 30.886 -17.047 1.00 0.00 C ATOM 1400 NH1 ARG A 98 25.712 31.577 -16.677 1.00 0.00 N ATOM 1401 NH2 ARG A 98 27.175 30.908 -18.314 1.00 0.00 N ATOM 0 H ARG A 98 27.130 25.124 -14.242 1.00 0.00 H new ATOM 0 HA ARG A 98 24.972 26.861 -13.253 1.00 0.00 H new ATOM 0 HB2 ARG A 98 27.368 27.664 -13.542 1.00 0.00 H new ATOM 0 HB3 ARG A 98 27.181 27.420 -15.267 1.00 0.00 H new ATOM 0 HG2 ARG A 98 25.308 29.050 -15.297 1.00 0.00 H new ATOM 0 HG3 ARG A 98 25.486 29.291 -13.571 1.00 0.00 H new ATOM 0 HD2 ARG A 98 26.734 31.070 -14.404 1.00 0.00 H new ATOM 0 HD3 ARG A 98 27.984 29.868 -14.149 1.00 0.00 H new ATOM 0 HE ARG A 98 28.279 29.657 -16.469 1.00 0.00 H new ATOM 0 HH11 ARG A 98 25.408 31.564 -15.703 1.00 0.00 H new ATOM 0 HH12 ARG A 98 25.193 32.121 -17.366 1.00 0.00 H new ATOM 0 HH21 ARG A 98 27.998 30.379 -18.602 1.00 0.00 H new ATOM 0 HH22 ARG A 98 26.654 31.453 -19.000 1.00 0.00 H new ATOM 1415 N SER A 99 23.433 26.179 -15.090 1.00 0.00 N ATOM 1416 CA SER A 99 22.488 25.973 -16.181 1.00 0.00 C ATOM 1417 C SER A 99 22.456 27.185 -17.108 1.00 0.00 C ATOM 1418 O SER A 99 23.134 28.182 -16.867 1.00 0.00 O ATOM 1419 CB SER A 99 21.088 25.703 -15.627 1.00 0.00 C ATOM 1420 OG SER A 99 21.073 24.536 -14.824 1.00 0.00 O ATOM 0 H SER A 99 23.013 26.171 -14.161 1.00 0.00 H new ATOM 0 HA SER A 99 22.817 25.107 -16.755 1.00 0.00 H new ATOM 0 HB2 SER A 99 20.756 26.558 -15.038 1.00 0.00 H new ATOM 0 HB3 SER A 99 20.383 25.590 -16.451 1.00 0.00 H new ATOM 0 HG SER A 99 20.167 24.387 -14.481 1.00 0.00 H new ATOM 1426 N GLY A 100 21.661 27.089 -18.170 1.00 0.00 N ATOM 1427 CA GLY A 100 21.554 28.183 -19.117 1.00 0.00 C ATOM 1428 C GLY A 100 21.781 27.735 -20.547 1.00 0.00 C ATOM 1429 O GLY A 100 22.396 26.700 -20.806 1.00 0.00 O ATOM 0 H GLY A 100 21.090 26.273 -18.391 1.00 0.00 H new ATOM 0 HA2 GLY A 100 20.566 28.636 -19.034 1.00 0.00 H new ATOM 0 HA3 GLY A 100 22.281 28.954 -18.861 1.00 0.00 H new ATOM 1433 N PRO A 101 21.275 28.525 -21.506 1.00 0.00 N ATOM 1434 CA PRO A 101 21.412 28.223 -22.934 1.00 0.00 C ATOM 1435 C PRO A 101 22.847 28.382 -23.425 1.00 0.00 C ATOM 1436 O PRO A 101 23.247 27.767 -24.414 1.00 0.00 O ATOM 1437 CB PRO A 101 20.502 29.255 -23.604 1.00 0.00 C ATOM 1438 CG PRO A 101 20.440 30.389 -22.639 1.00 0.00 C ATOM 1439 CD PRO A 101 20.530 29.773 -21.270 1.00 0.00 C ATOM 0 HA PRO A 101 21.147 27.190 -23.159 1.00 0.00 H new ATOM 0 HB2 PRO A 101 20.906 29.574 -24.565 1.00 0.00 H new ATOM 0 HB3 PRO A 101 19.511 28.844 -23.796 1.00 0.00 H new ATOM 0 HG2 PRO A 101 21.258 31.089 -22.806 1.00 0.00 H new ATOM 0 HG3 PRO A 101 19.512 30.950 -22.755 1.00 0.00 H new ATOM 0 HD2 PRO A 101 21.051 30.425 -20.569 1.00 0.00 H new ATOM 0 HD3 PRO A 101 19.543 29.579 -20.851 1.00 0.00 H new ATOM 1447 N SER A 102 23.619 29.209 -22.727 1.00 0.00 N ATOM 1448 CA SER A 102 25.009 29.451 -23.094 1.00 0.00 C ATOM 1449 C SER A 102 25.850 28.194 -22.894 1.00 0.00 C ATOM 1450 O SER A 102 26.471 28.008 -21.848 1.00 0.00 O ATOM 1451 CB SER A 102 25.585 30.600 -22.265 1.00 0.00 C ATOM 1452 OG SER A 102 26.903 30.917 -22.679 1.00 0.00 O ATOM 0 H SER A 102 23.305 29.723 -21.904 1.00 0.00 H new ATOM 0 HA SER A 102 25.038 29.723 -24.149 1.00 0.00 H new ATOM 0 HB2 SER A 102 24.948 31.479 -22.364 1.00 0.00 H new ATOM 0 HB3 SER A 102 25.588 30.326 -21.210 1.00 0.00 H new ATOM 0 HG SER A 102 27.248 31.655 -22.135 1.00 0.00 H new ATOM 1458 N SER A 103 25.865 27.332 -23.907 1.00 0.00 N ATOM 1459 CA SER A 103 26.625 26.090 -23.842 1.00 0.00 C ATOM 1460 C SER A 103 27.635 26.011 -24.983 1.00 0.00 C ATOM 1461 O SER A 103 28.838 25.892 -24.756 1.00 0.00 O ATOM 1462 CB SER A 103 25.683 24.886 -23.896 1.00 0.00 C ATOM 1463 OG SER A 103 26.222 23.784 -23.187 1.00 0.00 O ATOM 0 H SER A 103 25.359 27.472 -24.782 1.00 0.00 H new ATOM 0 HA SER A 103 27.168 26.075 -22.897 1.00 0.00 H new ATOM 0 HB2 SER A 103 24.716 25.157 -23.472 1.00 0.00 H new ATOM 0 HB3 SER A 103 25.508 24.604 -24.934 1.00 0.00 H new ATOM 0 HG SER A 103 25.600 23.028 -23.235 1.00 0.00 H new ATOM 1469 N GLY A 104 27.134 26.078 -26.213 1.00 0.00 N ATOM 1470 CA GLY A 104 28.004 26.012 -27.373 1.00 0.00 C ATOM 1471 C GLY A 104 27.269 25.578 -28.625 1.00 0.00 C ATOM 1472 O GLY A 104 27.764 24.704 -29.337 1.00 0.00 O ATOM 0 H GLY A 104 26.142 26.177 -26.427 1.00 0.00 H new ATOM 0 HA2 GLY A 104 28.455 26.990 -27.541 1.00 0.00 H new ATOM 0 HA3 GLY A 104 28.818 25.315 -27.173 1.00 0.00 H new TER 1476 GLY A 104 HETATM 1477 ZN ZN A 201 6.203 -2.113 -10.343 1.00 0.00 ZN HETATM 1478 ZN ZN A 401 20.588 9.697 -6.020 1.00 0.00 ZN