USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 544 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 42 THR OG1 : rot 60:sc= 1.12 USER MOD Set 1.2: A 71 LYS NZ :NH3+ -170:sc= 1.25 (180deg=1.13) USER MOD Set 2.1: A 14 CYS SG : rot -30:sc= 0.448 USER MOD Set 2.2: A 17 CYS SG : rot 180:sc= 0.43 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 172:sc= -0.996 (180deg=-1.02) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0532 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 1.1 K(o=1.1,f=-0.0034) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 1.37 (180deg=1.37) USER MOD Single : A 33 ASN : amide:sc= 1.06 K(o=1.1,f=-0.18) USER MOD Single : A 37 ASN : amide:sc= -2.69! K(o=-2.7!,f=0.2) USER MOD Single : A 44 THR OG1 : rot -113:sc= 1.2 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.272 K(o=-0.27,f=-1.2) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 110:sc= 1.27 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -167:sc= 1.22 (180deg=0.748) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 133:sc= 0.813 USER MOD Single : A 67 LYS NZ :NH3+ 150:sc= 1.19 (180deg=0.958) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 34 N GLU A 3 2.857 13.247 5.001 1.00 10.00 N ATOM 35 CA GLU A 3 2.552 13.453 3.602 1.00 10.00 C ATOM 36 C GLU A 3 1.543 12.379 3.197 1.00 10.00 C ATOM 37 O GLU A 3 1.127 11.558 4.016 1.00 10.00 O ATOM 38 CB GLU A 3 3.852 13.408 2.782 1.00 10.00 C ATOM 39 CG GLU A 3 4.503 12.014 2.776 1.00 10.00 C ATOM 40 CD GLU A 3 5.898 11.997 2.164 1.00 10.00 C ATOM 41 OE1 GLU A 3 6.496 13.090 2.070 1.00 10.00 O ATOM 42 OE2 GLU A 3 6.362 10.876 1.862 1.00 10.00 O ATOM 0 HA GLU A 3 2.109 14.431 3.413 1.00 10.00 H new ATOM 0 HB2 GLU A 3 3.640 13.710 1.756 1.00 10.00 H new ATOM 0 HB3 GLU A 3 4.558 14.132 3.188 1.00 10.00 H new ATOM 0 HG2 GLU A 3 4.560 11.644 3.800 1.00 10.00 H new ATOM 0 HG3 GLU A 3 3.864 11.326 2.223 1.00 10.00 H new ATOM 49 N LYS A 4 1.146 12.416 1.929 1.00 10.00 N ATOM 50 CA LYS A 4 0.265 11.469 1.277 1.00 10.00 C ATOM 51 C LYS A 4 0.968 10.999 0.007 1.00 10.00 C ATOM 52 O LYS A 4 1.467 11.827 -0.753 1.00 10.00 O ATOM 53 CB LYS A 4 -1.084 12.114 0.960 1.00 10.00 C ATOM 54 CG LYS A 4 -1.727 12.831 2.157 1.00 10.00 C ATOM 55 CD LYS A 4 -1.534 14.346 2.036 1.00 10.00 C ATOM 56 CE LYS A 4 -2.019 15.048 3.309 1.00 10.00 C ATOM 57 NZ LYS A 4 -1.975 16.519 3.169 1.00 10.00 N ATOM 0 H LYS A 4 1.453 13.155 1.296 1.00 10.00 H new ATOM 0 HA LYS A 4 0.059 10.620 1.929 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -0.952 12.830 0.148 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -1.768 11.345 0.599 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -2.790 12.596 2.202 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -1.282 12.474 3.086 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -0.481 14.573 1.866 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -2.084 14.722 1.173 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -3.038 14.733 3.533 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -1.399 14.743 4.152 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -2.310 16.962 4.049 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -0.998 16.821 2.980 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -2.586 16.811 2.380 1.00 10.00 H new ATOM 71 N ALA A 5 1.026 9.690 -0.208 1.00 10.00 N ATOM 72 CA ALA A 5 1.768 9.036 -1.271 1.00 10.00 C ATOM 73 C ALA A 5 0.814 8.027 -1.891 1.00 10.00 C ATOM 74 O ALA A 5 0.071 7.403 -1.135 1.00 10.00 O ATOM 75 CB ALA A 5 2.969 8.343 -0.634 1.00 10.00 C ATOM 0 H ALA A 5 0.531 9.025 0.386 1.00 10.00 H new ATOM 0 HA ALA A 5 2.130 9.724 -2.035 1.00 10.00 H new ATOM 0 HB1 ALA A 5 3.551 7.840 -1.406 1.00 10.00 H new ATOM 0 HB2 ALA A 5 3.593 9.083 -0.134 1.00 10.00 H new ATOM 0 HB3 ALA A 5 2.622 7.610 0.094 1.00 10.00 H new ATOM 81 N GLU A 6 0.760 7.884 -3.219 1.00 10.00 N ATOM 82 CA GLU A 6 -0.293 7.107 -3.834 1.00 10.00 C ATOM 83 C GLU A 6 0.368 6.112 -4.751 1.00 10.00 C ATOM 84 O GLU A 6 1.322 6.477 -5.440 1.00 10.00 O ATOM 85 CB GLU A 6 -1.265 8.026 -4.573 1.00 10.00 C ATOM 86 CG GLU A 6 -2.555 7.250 -4.829 1.00 10.00 C ATOM 87 CD GLU A 6 -3.731 8.117 -5.236 1.00 10.00 C ATOM 88 OE1 GLU A 6 -4.432 8.557 -4.302 1.00 10.00 O ATOM 89 OE2 GLU A 6 -3.947 8.256 -6.461 1.00 10.00 O ATOM 0 H GLU A 6 1.428 8.294 -3.872 1.00 10.00 H new ATOM 0 HA GLU A 6 -0.885 6.574 -3.090 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -1.469 8.918 -3.981 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -0.830 8.361 -5.515 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -2.373 6.513 -5.611 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -2.819 6.699 -3.927 1.00 10.00 H new ATOM 96 N PHE A 7 -0.099 4.864 -4.704 1.00 10.00 N ATOM 97 CA PHE A 7 0.513 3.735 -5.362 1.00 10.00 C ATOM 98 C PHE A 7 -0.552 2.939 -6.105 1.00 10.00 C ATOM 99 O PHE A 7 -1.691 2.853 -5.650 1.00 10.00 O ATOM 100 CB PHE A 7 1.197 2.838 -4.330 1.00 10.00 C ATOM 101 CG PHE A 7 1.892 3.524 -3.167 1.00 10.00 C ATOM 102 CD1 PHE A 7 2.779 4.588 -3.397 1.00 10.00 C ATOM 103 CD2 PHE A 7 1.738 3.033 -1.860 1.00 10.00 C ATOM 104 CE1 PHE A 7 3.435 5.217 -2.335 1.00 10.00 C ATOM 105 CE2 PHE A 7 2.438 3.630 -0.800 1.00 10.00 C ATOM 106 CZ PHE A 7 3.257 4.747 -1.026 1.00 10.00 C ATOM 0 H PHE A 7 -0.942 4.615 -4.187 1.00 10.00 H new ATOM 0 HA PHE A 7 1.258 4.095 -6.071 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.448 2.159 -3.923 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.933 2.225 -4.850 1.00 10.00 H new ATOM 0 HD1 PHE A 7 2.957 4.925 -4.408 1.00 10.00 H new ATOM 0 HD2 PHE A 7 1.081 2.197 -1.671 1.00 10.00 H new ATOM 0 HE1 PHE A 7 4.078 6.064 -2.522 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.346 3.227 0.198 1.00 10.00 H new ATOM 0 HZ PHE A 7 3.746 5.240 -0.199 1.00 10.00 H new ATOM 116 N ASP A 8 -0.149 2.339 -7.221 1.00 10.00 N ATOM 117 CA ASP A 8 -0.980 1.590 -8.149 1.00 10.00 C ATOM 118 C ASP A 8 -0.675 0.123 -7.882 1.00 10.00 C ATOM 119 O ASP A 8 0.504 -0.186 -7.676 1.00 10.00 O ATOM 120 CB ASP A 8 -0.551 2.004 -9.560 1.00 10.00 C ATOM 121 CG ASP A 8 -1.387 1.362 -10.653 1.00 10.00 C ATOM 122 OD1 ASP A 8 -1.473 0.118 -10.641 1.00 10.00 O ATOM 123 OD2 ASP A 8 -1.886 2.136 -11.497 1.00 10.00 O ATOM 0 H ASP A 8 0.827 2.366 -7.517 1.00 10.00 H new ATOM 0 HA ASP A 8 -2.049 1.771 -8.040 1.00 10.00 H new ATOM 0 HB2 ASP A 8 -0.619 3.088 -9.650 1.00 10.00 H new ATOM 0 HB3 ASP A 8 0.495 1.737 -9.708 1.00 10.00 H new ATOM 128 N ILE A 9 -1.695 -0.739 -7.779 1.00 10.00 N ATOM 129 CA ILE A 9 -1.514 -2.144 -7.410 1.00 10.00 C ATOM 130 C ILE A 9 -2.097 -3.087 -8.466 1.00 10.00 C ATOM 131 O ILE A 9 -3.300 -3.069 -8.711 1.00 10.00 O ATOM 132 CB ILE A 9 -2.122 -2.445 -6.029 1.00 10.00 C ATOM 133 CG1 ILE A 9 -1.762 -1.401 -4.968 1.00 10.00 C ATOM 134 CG2 ILE A 9 -1.643 -3.804 -5.523 1.00 10.00 C ATOM 135 CD1 ILE A 9 -2.890 -0.389 -4.841 1.00 10.00 C ATOM 0 H ILE A 9 -2.667 -0.480 -7.949 1.00 10.00 H new ATOM 0 HA ILE A 9 -0.440 -2.321 -7.357 1.00 10.00 H new ATOM 0 HB ILE A 9 -3.202 -2.431 -6.174 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -1.588 -1.888 -4.009 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -0.836 -0.895 -5.241 1.00 10.00 H new ATOM 0 HG21 ILE A 9 -2.081 -4.003 -4.545 1.00 10.00 H new ATOM 0 HG22 ILE A 9 -1.949 -4.581 -6.223 1.00 10.00 H new ATOM 0 HG23 ILE A 9 -0.556 -3.799 -5.439 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -2.630 0.352 -4.085 1.00 10.00 H new ATOM 0 HD12 ILE A 9 -3.043 0.108 -5.799 1.00 10.00 H new ATOM 0 HD13 ILE A 9 -3.807 -0.901 -4.548 1.00 10.00 H new ATOM 147 N GLU A 10 -1.265 -3.976 -9.022 1.00 10.00 N ATOM 148 CA GLU A 10 -1.660 -4.960 -10.020 1.00 10.00 C ATOM 149 C GLU A 10 -1.743 -6.351 -9.386 1.00 10.00 C ATOM 150 O GLU A 10 -0.739 -6.858 -8.877 1.00 10.00 O ATOM 151 CB GLU A 10 -0.633 -4.994 -11.153 1.00 10.00 C ATOM 152 CG GLU A 10 -0.495 -3.658 -11.891 1.00 10.00 C ATOM 153 CD GLU A 10 0.605 -3.745 -12.939 1.00 10.00 C ATOM 154 OE1 GLU A 10 1.775 -3.524 -12.555 1.00 10.00 O ATOM 155 OE2 GLU A 10 0.270 -4.086 -14.095 1.00 10.00 O ATOM 0 H GLU A 10 -0.275 -4.027 -8.780 1.00 10.00 H new ATOM 0 HA GLU A 10 -2.637 -4.680 -10.414 1.00 10.00 H new ATOM 0 HB2 GLU A 10 0.337 -5.277 -10.745 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -0.916 -5.767 -11.867 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -1.441 -3.398 -12.367 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -0.267 -2.864 -11.180 1.00 10.00 H new ATOM 162 N GLY A 11 -2.919 -6.981 -9.482 1.00 10.00 N ATOM 163 CA GLY A 11 -3.139 -8.397 -9.184 1.00 10.00 C ATOM 164 C GLY A 11 -4.274 -8.662 -8.186 1.00 10.00 C ATOM 165 O GLY A 11 -4.652 -9.813 -7.980 1.00 10.00 O ATOM 0 H GLY A 11 -3.770 -6.503 -9.779 1.00 10.00 H new ATOM 0 HA2 GLY A 11 -3.358 -8.922 -10.114 1.00 10.00 H new ATOM 0 HA3 GLY A 11 -2.216 -8.821 -8.788 1.00 10.00 H new ATOM 169 N MET A 12 -4.827 -7.619 -7.561 1.00 10.00 N ATOM 170 CA MET A 12 -5.921 -7.713 -6.610 1.00 10.00 C ATOM 171 C MET A 12 -7.228 -8.109 -7.304 1.00 10.00 C ATOM 172 O MET A 12 -8.055 -7.274 -7.655 1.00 10.00 O ATOM 173 CB MET A 12 -6.020 -6.387 -5.853 1.00 10.00 C ATOM 174 CG MET A 12 -6.401 -5.191 -6.746 1.00 10.00 C ATOM 175 SD MET A 12 -5.633 -3.632 -6.278 1.00 10.00 S ATOM 176 CE MET A 12 -6.112 -3.582 -4.548 1.00 10.00 C ATOM 0 H MET A 12 -4.511 -6.661 -7.712 1.00 10.00 H new ATOM 0 HA MET A 12 -5.727 -8.506 -5.888 1.00 10.00 H new ATOM 0 HB2 MET A 12 -6.760 -6.487 -5.059 1.00 10.00 H new ATOM 0 HB3 MET A 12 -5.063 -6.181 -5.373 1.00 10.00 H new ATOM 0 HG2 MET A 12 -6.127 -5.421 -7.776 1.00 10.00 H new ATOM 0 HG3 MET A 12 -7.484 -5.068 -6.724 1.00 10.00 H new ATOM 0 HE1 MET A 12 -5.605 -2.753 -4.054 1.00 10.00 H new ATOM 0 HE2 MET A 12 -7.191 -3.444 -4.473 1.00 10.00 H new ATOM 0 HE3 MET A 12 -5.831 -4.518 -4.066 1.00 10.00 H new ATOM 186 N THR A 13 -7.427 -9.406 -7.489 1.00 10.00 N ATOM 187 CA THR A 13 -8.607 -9.947 -8.137 1.00 10.00 C ATOM 188 C THR A 13 -9.810 -9.912 -7.200 1.00 10.00 C ATOM 189 O THR A 13 -10.937 -9.974 -7.687 1.00 10.00 O ATOM 190 CB THR A 13 -8.315 -11.367 -8.632 1.00 10.00 C ATOM 191 OG1 THR A 13 -7.619 -12.096 -7.639 1.00 10.00 O ATOM 192 CG2 THR A 13 -7.449 -11.322 -9.896 1.00 10.00 C ATOM 0 H THR A 13 -6.763 -10.119 -7.188 1.00 10.00 H new ATOM 0 HA THR A 13 -8.858 -9.327 -8.998 1.00 10.00 H new ATOM 0 HB THR A 13 -9.266 -11.851 -8.852 1.00 10.00 H new ATOM 0 HG1 THR A 13 -7.439 -13.003 -7.965 1.00 10.00 H new ATOM 0 HG21 THR A 13 -7.249 -12.338 -10.237 1.00 10.00 H new ATOM 0 HG22 THR A 13 -7.975 -10.774 -10.678 1.00 10.00 H new ATOM 0 HG23 THR A 13 -6.506 -10.822 -9.674 1.00 10.00 H new ATOM 200 N CYS A 14 -9.593 -9.833 -5.878 1.00 10.00 N ATOM 201 CA CYS A 14 -10.677 -9.778 -4.912 1.00 10.00 C ATOM 202 C CYS A 14 -10.486 -8.667 -3.879 1.00 10.00 C ATOM 203 O CYS A 14 -9.381 -8.188 -3.635 1.00 10.00 O ATOM 204 CB CYS A 14 -10.881 -11.149 -4.256 1.00 10.00 C ATOM 205 SG CYS A 14 -9.516 -11.726 -3.220 1.00 10.00 S ATOM 0 H CYS A 14 -8.663 -9.806 -5.460 1.00 10.00 H new ATOM 0 HA CYS A 14 -11.588 -9.524 -5.454 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -11.785 -11.111 -3.648 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -11.056 -11.885 -5.040 1.00 10.00 H new ATOM 0 HG CYS A 14 -8.396 -11.244 -3.670 1.00 10.00 H new ATOM 210 N ALA A 15 -11.587 -8.268 -3.240 1.00 10.00 N ATOM 211 CA ALA A 15 -11.557 -7.260 -2.192 1.00 10.00 C ATOM 212 C ALA A 15 -10.687 -7.713 -1.017 1.00 10.00 C ATOM 213 O ALA A 15 -10.090 -6.884 -0.336 1.00 10.00 O ATOM 214 CB ALA A 15 -12.985 -6.944 -1.744 1.00 10.00 C ATOM 0 H ALA A 15 -12.518 -8.636 -3.437 1.00 10.00 H new ATOM 0 HA ALA A 15 -11.108 -6.349 -2.588 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -12.961 -6.189 -0.959 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -13.558 -6.568 -2.592 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -13.455 -7.850 -1.362 1.00 10.00 H new ATOM 220 N ALA A 16 -10.592 -9.025 -0.768 1.00 10.00 N ATOM 221 CA ALA A 16 -9.750 -9.545 0.299 1.00 10.00 C ATOM 222 C ALA A 16 -8.276 -9.241 0.027 1.00 10.00 C ATOM 223 O ALA A 16 -7.563 -8.824 0.942 1.00 10.00 O ATOM 224 CB ALA A 16 -9.996 -11.043 0.494 1.00 10.00 C ATOM 0 H ALA A 16 -11.091 -9.741 -1.296 1.00 10.00 H new ATOM 0 HA ALA A 16 -10.016 -9.043 1.229 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -9.358 -11.415 1.296 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -11.041 -11.209 0.755 1.00 10.00 H new ATOM 0 HB3 ALA A 16 -9.764 -11.573 -0.430 1.00 10.00 H new ATOM 230 N CYS A 17 -7.824 -9.419 -1.222 1.00 10.00 N ATOM 231 CA CYS A 17 -6.494 -9.005 -1.647 1.00 10.00 C ATOM 232 C CYS A 17 -6.291 -7.542 -1.278 1.00 10.00 C ATOM 233 O CYS A 17 -5.302 -7.192 -0.637 1.00 10.00 O ATOM 234 CB CYS A 17 -6.309 -9.185 -3.161 1.00 10.00 C ATOM 235 SG CYS A 17 -5.978 -10.880 -3.712 1.00 10.00 S ATOM 0 H CYS A 17 -8.376 -9.855 -1.961 1.00 10.00 H new ATOM 0 HA CYS A 17 -5.757 -9.630 -1.142 1.00 10.00 H new ATOM 0 HB2 CYS A 17 -7.207 -8.827 -3.664 1.00 10.00 H new ATOM 0 HB3 CYS A 17 -5.486 -8.549 -3.487 1.00 10.00 H new ATOM 0 HG CYS A 17 -5.844 -10.898 -5.005 1.00 10.00 H new ATOM 240 N ALA A 18 -7.242 -6.699 -1.679 1.00 10.00 N ATOM 241 CA ALA A 18 -7.181 -5.276 -1.404 1.00 10.00 C ATOM 242 C ALA A 18 -7.058 -5.007 0.102 1.00 10.00 C ATOM 243 O ALA A 18 -6.094 -4.387 0.540 1.00 10.00 O ATOM 244 CB ALA A 18 -8.364 -4.577 -2.074 1.00 10.00 C ATOM 0 H ALA A 18 -8.070 -6.988 -2.201 1.00 10.00 H new ATOM 0 HA ALA A 18 -6.277 -4.848 -1.838 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -8.319 -3.508 -1.868 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -8.321 -4.741 -3.151 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -9.296 -4.983 -1.682 1.00 10.00 H new ATOM 250 N ASN A 19 -7.983 -5.504 0.925 1.00 10.00 N ATOM 251 CA ASN A 19 -7.915 -5.329 2.377 1.00 10.00 C ATOM 252 C ASN A 19 -6.563 -5.775 2.947 1.00 10.00 C ATOM 253 O ASN A 19 -6.044 -5.173 3.890 1.00 10.00 O ATOM 254 CB ASN A 19 -9.060 -6.084 3.067 1.00 10.00 C ATOM 255 CG ASN A 19 -10.290 -5.200 3.255 1.00 10.00 C ATOM 256 OD1 ASN A 19 -10.838 -4.671 2.296 1.00 10.00 O ATOM 257 ND2 ASN A 19 -10.741 -5.032 4.497 1.00 10.00 N ATOM 0 H ASN A 19 -8.794 -6.035 0.607 1.00 10.00 H new ATOM 0 HA ASN A 19 -8.021 -4.263 2.579 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -9.328 -6.958 2.474 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -8.722 -6.448 4.037 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -11.562 -4.451 4.667 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -10.265 -5.484 5.278 1.00 10.00 H new ATOM 264 N ARG A 20 -5.973 -6.834 2.389 1.00 10.00 N ATOM 265 CA ARG A 20 -4.677 -7.317 2.809 1.00 10.00 C ATOM 266 C ARG A 20 -3.582 -6.270 2.581 1.00 10.00 C ATOM 267 O ARG A 20 -2.655 -6.190 3.388 1.00 10.00 O ATOM 268 CB ARG A 20 -4.418 -8.660 2.123 1.00 10.00 C ATOM 269 CG ARG A 20 -4.705 -9.799 3.112 1.00 10.00 C ATOM 270 CD ARG A 20 -5.044 -11.113 2.405 1.00 10.00 C ATOM 271 NE ARG A 20 -5.369 -12.152 3.396 1.00 10.00 N ATOM 272 CZ ARG A 20 -6.068 -13.273 3.152 1.00 10.00 C ATOM 273 NH1 ARG A 20 -6.466 -13.557 1.908 1.00 10.00 N ATOM 274 NH2 ARG A 20 -6.366 -14.102 4.161 1.00 10.00 N ATOM 0 H ARG A 20 -6.390 -7.375 1.632 1.00 10.00 H new ATOM 0 HA ARG A 20 -4.662 -7.487 3.886 1.00 10.00 H new ATOM 0 HB2 ARG A 20 -5.052 -8.760 1.242 1.00 10.00 H new ATOM 0 HB3 ARG A 20 -3.385 -8.713 1.780 1.00 10.00 H new ATOM 0 HG2 ARG A 20 -3.836 -9.948 3.753 1.00 10.00 H new ATOM 0 HG3 ARG A 20 -5.534 -9.514 3.760 1.00 10.00 H new ATOM 0 HD2 ARG A 20 -5.888 -10.965 1.732 1.00 10.00 H new ATOM 0 HD3 ARG A 20 -4.201 -11.434 1.793 1.00 10.00 H new ATOM 0 HE ARG A 20 -5.035 -12.009 4.349 1.00 10.00 H new ATOM 0 HH11 ARG A 20 -6.239 -12.922 1.143 1.00 10.00 H new ATOM 0 HH12 ARG A 20 -6.997 -14.408 1.724 1.00 10.00 H new ATOM 0 HH21 ARG A 20 -6.062 -13.881 5.109 1.00 10.00 H new ATOM 0 HH22 ARG A 20 -6.897 -14.954 3.981 1.00 10.00 H new ATOM 288 N ILE A 21 -3.714 -5.435 1.544 1.00 10.00 N ATOM 289 CA ILE A 21 -2.855 -4.262 1.362 1.00 10.00 C ATOM 290 C ILE A 21 -2.885 -3.438 2.644 1.00 10.00 C ATOM 291 O ILE A 21 -1.845 -3.219 3.258 1.00 10.00 O ATOM 292 CB ILE A 21 -3.284 -3.366 0.178 1.00 10.00 C ATOM 293 CG1 ILE A 21 -3.486 -4.122 -1.132 1.00 10.00 C ATOM 294 CG2 ILE A 21 -2.296 -2.217 -0.043 1.00 10.00 C ATOM 295 CD1 ILE A 21 -2.191 -4.597 -1.778 1.00 10.00 C ATOM 0 H ILE A 21 -4.415 -5.553 0.812 1.00 10.00 H new ATOM 0 HA ILE A 21 -1.852 -4.625 1.136 1.00 10.00 H new ATOM 0 HB ILE A 21 -4.256 -2.967 0.469 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -4.126 -4.985 -0.947 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -4.015 -3.478 -1.834 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -2.629 -1.607 -0.883 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -2.247 -1.601 0.855 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -1.308 -2.623 -0.259 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -2.419 -5.125 -2.704 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -1.557 -3.738 -1.997 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -1.669 -5.269 -1.096 1.00 10.00 H new ATOM 307 N GLU A 22 -4.078 -2.996 3.054 1.00 10.00 N ATOM 308 CA GLU A 22 -4.238 -2.143 4.220 1.00 10.00 C ATOM 309 C GLU A 22 -3.615 -2.811 5.442 1.00 10.00 C ATOM 310 O GLU A 22 -2.858 -2.183 6.177 1.00 10.00 O ATOM 311 CB GLU A 22 -5.717 -1.843 4.482 1.00 10.00 C ATOM 312 CG GLU A 22 -6.445 -1.299 3.250 1.00 10.00 C ATOM 313 CD GLU A 22 -7.777 -0.662 3.628 1.00 10.00 C ATOM 314 OE1 GLU A 22 -8.286 -1.000 4.718 1.00 10.00 O ATOM 315 OE2 GLU A 22 -8.258 0.159 2.817 1.00 10.00 O ATOM 0 H GLU A 22 -4.954 -3.223 2.583 1.00 10.00 H new ATOM 0 HA GLU A 22 -3.729 -1.199 4.027 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -6.213 -2.754 4.817 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -5.797 -1.119 5.293 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.816 -0.562 2.750 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -6.615 -2.108 2.539 1.00 10.00 H new ATOM 322 N LYS A 23 -3.936 -4.089 5.652 1.00 10.00 N ATOM 323 CA LYS A 23 -3.437 -4.872 6.773 1.00 10.00 C ATOM 324 C LYS A 23 -1.903 -4.875 6.805 1.00 10.00 C ATOM 325 O LYS A 23 -1.306 -4.592 7.845 1.00 10.00 O ATOM 326 CB LYS A 23 -4.011 -6.299 6.695 1.00 10.00 C ATOM 327 CG LYS A 23 -5.015 -6.653 7.808 1.00 10.00 C ATOM 328 CD LYS A 23 -4.482 -7.767 8.723 1.00 10.00 C ATOM 329 CE LYS A 23 -3.294 -7.313 9.589 1.00 10.00 C ATOM 330 NZ LYS A 23 -3.672 -7.100 11.003 1.00 10.00 N ATOM 0 H LYS A 23 -4.559 -4.612 5.037 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.769 -4.416 7.706 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -4.501 -6.426 5.729 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -3.186 -7.010 6.730 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -5.227 -5.764 8.403 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -5.957 -6.970 7.361 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -5.287 -8.114 9.372 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -4.176 -8.617 8.112 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -2.503 -8.062 9.537 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -2.885 -6.388 9.182 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -2.837 -6.795 11.543 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -4.407 -6.367 11.059 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -4.038 -7.988 11.402 1.00 10.00 H new ATOM 344 N ARG A 24 -1.255 -5.218 5.688 1.00 10.00 N ATOM 345 CA ARG A 24 0.202 -5.211 5.626 1.00 10.00 C ATOM 346 C ARG A 24 0.742 -3.801 5.828 1.00 10.00 C ATOM 347 O ARG A 24 1.654 -3.619 6.628 1.00 10.00 O ATOM 348 CB ARG A 24 0.713 -5.832 4.320 1.00 10.00 C ATOM 349 CG ARG A 24 1.082 -7.304 4.544 1.00 10.00 C ATOM 350 CD ARG A 24 2.518 -7.459 5.060 1.00 10.00 C ATOM 351 NE ARG A 24 2.893 -8.879 5.155 1.00 10.00 N ATOM 352 CZ ARG A 24 2.632 -9.688 6.195 1.00 10.00 C ATOM 353 NH1 ARG A 24 1.993 -9.208 7.267 1.00 10.00 N ATOM 354 NH2 ARG A 24 3.003 -10.973 6.155 1.00 10.00 N ATOM 0 H ARG A 24 -1.715 -5.501 4.823 1.00 10.00 H new ATOM 0 HA ARG A 24 0.577 -5.832 6.440 1.00 10.00 H new ATOM 0 HB2 ARG A 24 -0.052 -5.755 3.548 1.00 10.00 H new ATOM 0 HB3 ARG A 24 1.583 -5.281 3.963 1.00 10.00 H new ATOM 0 HG2 ARG A 24 0.389 -7.748 5.259 1.00 10.00 H new ATOM 0 HG3 ARG A 24 0.970 -7.853 3.609 1.00 10.00 H new ATOM 0 HD2 ARG A 24 3.206 -6.941 4.392 1.00 10.00 H new ATOM 0 HD3 ARG A 24 2.609 -6.989 6.039 1.00 10.00 H new ATOM 0 HE ARG A 24 3.394 -9.283 4.364 1.00 10.00 H new ATOM 0 HH11 ARG A 24 1.705 -8.230 7.294 1.00 10.00 H new ATOM 0 HH12 ARG A 24 1.793 -9.820 8.058 1.00 10.00 H new ATOM 0 HH21 ARG A 24 3.485 -11.339 5.334 1.00 10.00 H new ATOM 0 HH22 ARG A 24 2.804 -11.586 6.946 1.00 10.00 H new ATOM 368 N LEU A 25 0.191 -2.804 5.134 1.00 10.00 N ATOM 369 CA LEU A 25 0.675 -1.439 5.303 1.00 10.00 C ATOM 370 C LEU A 25 0.589 -0.994 6.767 1.00 10.00 C ATOM 371 O LEU A 25 1.552 -0.462 7.310 1.00 10.00 O ATOM 372 CB LEU A 25 -0.065 -0.480 4.370 1.00 10.00 C ATOM 373 CG LEU A 25 0.264 -0.735 2.889 1.00 10.00 C ATOM 374 CD1 LEU A 25 -0.667 0.126 2.043 1.00 10.00 C ATOM 375 CD2 LEU A 25 1.712 -0.373 2.537 1.00 10.00 C ATOM 0 H LEU A 25 -0.572 -2.913 4.466 1.00 10.00 H new ATOM 0 HA LEU A 25 1.729 -1.417 5.026 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.139 -0.583 4.524 1.00 10.00 H new ATOM 0 HB3 LEU A 25 0.196 0.547 4.626 1.00 10.00 H new ATOM 0 HG LEU A 25 0.132 -1.799 2.693 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.453 -0.037 0.987 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -1.702 -0.146 2.250 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -0.512 1.177 2.287 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.890 -0.572 1.480 1.00 10.00 H new ATOM 0 HD22 LEU A 25 1.883 0.684 2.741 1.00 10.00 H new ATOM 0 HD23 LEU A 25 2.394 -0.973 3.140 1.00 10.00 H new ATOM 387 N ASN A 26 -0.540 -1.268 7.425 1.00 10.00 N ATOM 388 CA ASN A 26 -0.748 -0.990 8.844 1.00 10.00 C ATOM 389 C ASN A 26 0.323 -1.641 9.717 1.00 10.00 C ATOM 390 O ASN A 26 0.689 -1.101 10.756 1.00 10.00 O ATOM 391 CB ASN A 26 -2.123 -1.498 9.290 1.00 10.00 C ATOM 392 CG ASN A 26 -3.203 -0.429 9.162 1.00 10.00 C ATOM 393 OD1 ASN A 26 -3.605 0.177 10.148 1.00 10.00 O ATOM 394 ND2 ASN A 26 -3.696 -0.200 7.949 1.00 10.00 N ATOM 0 H ASN A 26 -1.349 -1.697 6.976 1.00 10.00 H new ATOM 0 HA ASN A 26 -0.687 0.091 8.968 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.400 -2.365 8.690 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -2.066 -1.832 10.326 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -4.430 0.497 7.820 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -3.341 -0.721 7.147 1.00 10.00 H new ATOM 401 N LYS A 27 0.805 -2.822 9.322 1.00 10.00 N ATOM 402 CA LYS A 27 1.887 -3.496 10.030 1.00 10.00 C ATOM 403 C LYS A 27 3.131 -2.596 10.080 1.00 10.00 C ATOM 404 O LYS A 27 3.918 -2.704 11.016 1.00 10.00 O ATOM 405 CB LYS A 27 2.164 -4.871 9.386 1.00 10.00 C ATOM 406 CG LYS A 27 2.808 -5.934 10.298 1.00 10.00 C ATOM 407 CD LYS A 27 4.306 -5.704 10.573 1.00 10.00 C ATOM 408 CE LYS A 27 4.601 -5.241 12.014 1.00 10.00 C ATOM 409 NZ LYS A 27 5.722 -4.273 12.064 1.00 10.00 N ATOM 0 H LYS A 27 0.457 -3.331 8.509 1.00 10.00 H new ATOM 0 HA LYS A 27 1.594 -3.683 11.063 1.00 10.00 H new ATOM 0 HB2 LYS A 27 1.222 -5.269 9.009 1.00 10.00 H new ATOM 0 HB3 LYS A 27 2.814 -4.721 8.524 1.00 10.00 H new ATOM 0 HG2 LYS A 27 2.274 -5.953 11.248 1.00 10.00 H new ATOM 0 HG3 LYS A 27 2.680 -6.915 9.841 1.00 10.00 H new ATOM 0 HD2 LYS A 27 4.850 -6.628 10.378 1.00 10.00 H new ATOM 0 HD3 LYS A 27 4.685 -4.958 9.875 1.00 10.00 H new ATOM 0 HE2 LYS A 27 3.707 -4.784 12.439 1.00 10.00 H new ATOM 0 HE3 LYS A 27 4.841 -6.107 12.632 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 5.889 -3.986 13.050 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 6.581 -4.717 11.682 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 5.483 -3.436 11.495 1.00 10.00 H new ATOM 423 N ILE A 28 3.351 -1.729 9.090 1.00 10.00 N ATOM 424 CA ILE A 28 4.534 -0.886 9.086 1.00 10.00 C ATOM 425 C ILE A 28 4.349 0.272 10.071 1.00 10.00 C ATOM 426 O ILE A 28 3.402 1.055 10.001 1.00 10.00 O ATOM 427 CB ILE A 28 4.835 -0.328 7.696 1.00 10.00 C ATOM 428 CG1 ILE A 28 4.775 -1.375 6.570 1.00 10.00 C ATOM 429 CG2 ILE A 28 6.206 0.364 7.691 1.00 10.00 C ATOM 430 CD1 ILE A 28 4.450 -0.682 5.256 1.00 10.00 C ATOM 0 H ILE A 28 2.730 -1.597 8.292 1.00 10.00 H new ATOM 0 HA ILE A 28 5.379 -1.505 9.388 1.00 10.00 H new ATOM 0 HB ILE A 28 4.043 0.390 7.485 1.00 10.00 H new ATOM 0 HG12 ILE A 28 5.728 -1.898 6.493 1.00 10.00 H new ATOM 0 HG13 ILE A 28 4.017 -2.126 6.796 1.00 10.00 H new ATOM 0 HG21 ILE A 28 6.411 0.758 6.696 1.00 10.00 H new ATOM 0 HG22 ILE A 28 6.203 1.182 8.412 1.00 10.00 H new ATOM 0 HG23 ILE A 28 6.978 -0.356 7.962 1.00 10.00 H new ATOM 0 HD11 ILE A 28 4.407 -1.421 4.456 1.00 10.00 H new ATOM 0 HD12 ILE A 28 3.486 -0.179 5.338 1.00 10.00 H new ATOM 0 HD13 ILE A 28 5.224 0.052 5.031 1.00 10.00 H new ATOM 442 N GLU A 29 5.319 0.392 10.959 1.00 10.00 N ATOM 443 CA GLU A 29 5.451 1.433 11.949 1.00 10.00 C ATOM 444 C GLU A 29 5.649 2.791 11.258 1.00 10.00 C ATOM 445 O GLU A 29 6.420 2.906 10.307 1.00 10.00 O ATOM 446 CB GLU A 29 6.636 1.069 12.858 1.00 10.00 C ATOM 447 CG GLU A 29 6.386 -0.181 13.729 1.00 10.00 C ATOM 448 CD GLU A 29 6.522 -1.556 13.069 1.00 10.00 C ATOM 449 OE1 GLU A 29 6.695 -1.667 11.834 1.00 10.00 O ATOM 450 OE2 GLU A 29 6.395 -2.552 13.817 1.00 10.00 O ATOM 0 H GLU A 29 6.083 -0.282 11.007 1.00 10.00 H new ATOM 0 HA GLU A 29 4.550 1.516 12.556 1.00 10.00 H new ATOM 0 HB2 GLU A 29 7.518 0.901 12.241 1.00 10.00 H new ATOM 0 HB3 GLU A 29 6.858 1.916 13.508 1.00 10.00 H new ATOM 0 HG2 GLU A 29 7.077 -0.145 14.571 1.00 10.00 H new ATOM 0 HG3 GLU A 29 5.379 -0.106 14.140 1.00 10.00 H new ATOM 457 N GLY A 30 4.929 3.817 11.723 1.00 10.00 N ATOM 458 CA GLY A 30 5.065 5.186 11.240 1.00 10.00 C ATOM 459 C GLY A 30 4.027 5.544 10.177 1.00 10.00 C ATOM 460 O GLY A 30 3.919 6.711 9.796 1.00 10.00 O ATOM 0 H GLY A 30 4.227 3.714 12.456 1.00 10.00 H new ATOM 0 HA2 GLY A 30 4.970 5.874 12.080 1.00 10.00 H new ATOM 0 HA3 GLY A 30 6.064 5.323 10.827 1.00 10.00 H new ATOM 464 N VAL A 31 3.244 4.569 9.705 1.00 10.00 N ATOM 465 CA VAL A 31 2.147 4.838 8.790 1.00 10.00 C ATOM 466 C VAL A 31 0.965 5.383 9.592 1.00 10.00 C ATOM 467 O VAL A 31 0.647 4.855 10.654 1.00 10.00 O ATOM 468 CB VAL A 31 1.791 3.570 7.995 1.00 10.00 C ATOM 469 CG1 VAL A 31 0.626 3.829 7.031 1.00 10.00 C ATOM 470 CG2 VAL A 31 3.005 3.099 7.182 1.00 10.00 C ATOM 0 H VAL A 31 3.356 3.584 9.947 1.00 10.00 H new ATOM 0 HA VAL A 31 2.435 5.590 8.056 1.00 10.00 H new ATOM 0 HB VAL A 31 1.497 2.803 8.712 1.00 10.00 H new ATOM 0 HG11 VAL A 31 0.397 2.915 6.483 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -0.251 4.142 7.597 1.00 10.00 H new ATOM 0 HG13 VAL A 31 0.904 4.614 6.327 1.00 10.00 H new ATOM 0 HG21 VAL A 31 2.742 2.201 6.623 1.00 10.00 H new ATOM 0 HG22 VAL A 31 3.305 3.884 6.488 1.00 10.00 H new ATOM 0 HG23 VAL A 31 3.831 2.877 7.857 1.00 10.00 H new ATOM 480 N ALA A 32 0.327 6.448 9.093 1.00 10.00 N ATOM 481 CA ALA A 32 -0.862 7.021 9.702 1.00 10.00 C ATOM 482 C ALA A 32 -2.100 6.315 9.158 1.00 10.00 C ATOM 483 O ALA A 32 -2.872 5.758 9.932 1.00 10.00 O ATOM 484 CB ALA A 32 -0.921 8.531 9.448 1.00 10.00 C ATOM 0 H ALA A 32 0.630 6.934 8.249 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.825 6.874 10.781 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.818 8.943 9.911 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -0.039 9.007 9.877 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -0.948 8.719 8.375 1.00 10.00 H new ATOM 490 N ASN A 33 -2.289 6.334 7.832 1.00 10.00 N ATOM 491 CA ASN A 33 -3.436 5.705 7.180 1.00 10.00 C ATOM 492 C ASN A 33 -2.973 5.098 5.863 1.00 10.00 C ATOM 493 O ASN A 33 -1.880 5.399 5.387 1.00 10.00 O ATOM 494 CB ASN A 33 -4.577 6.699 6.896 1.00 10.00 C ATOM 495 CG ASN A 33 -5.003 7.546 8.090 1.00 10.00 C ATOM 496 OD1 ASN A 33 -5.433 7.024 9.113 1.00 10.00 O ATOM 497 ND2 ASN A 33 -4.931 8.866 7.962 1.00 10.00 N ATOM 0 H ASN A 33 -1.647 6.788 7.183 1.00 10.00 H new ATOM 0 HA ASN A 33 -3.826 4.945 7.857 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -4.268 7.364 6.089 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -5.443 6.143 6.536 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -5.237 9.470 8.725 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -4.569 9.276 7.101 1.00 10.00 H new ATOM 504 N ALA A 34 -3.821 4.263 5.264 1.00 10.00 N ATOM 505 CA ALA A 34 -3.554 3.597 3.998 1.00 10.00 C ATOM 506 C ALA A 34 -4.812 2.969 3.385 1.00 10.00 C ATOM 507 O ALA A 34 -4.799 1.776 3.096 1.00 10.00 O ATOM 508 CB ALA A 34 -2.459 2.544 4.214 1.00 10.00 C ATOM 0 H ALA A 34 -4.732 4.028 5.658 1.00 10.00 H new ATOM 0 HA ALA A 34 -3.214 4.345 3.282 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -2.250 2.038 3.272 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -1.552 3.030 4.573 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -2.796 1.815 4.951 1.00 10.00 H new ATOM 514 N PRO A 35 -5.897 3.733 3.171 1.00 10.00 N ATOM 515 CA PRO A 35 -7.091 3.204 2.533 1.00 10.00 C ATOM 516 C PRO A 35 -6.807 2.782 1.082 1.00 10.00 C ATOM 517 O PRO A 35 -6.212 3.551 0.319 1.00 10.00 O ATOM 518 CB PRO A 35 -8.134 4.322 2.614 1.00 10.00 C ATOM 519 CG PRO A 35 -7.286 5.593 2.686 1.00 10.00 C ATOM 520 CD PRO A 35 -6.076 5.140 3.502 1.00 10.00 C ATOM 0 HA PRO A 35 -7.449 2.302 3.030 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -8.789 4.325 1.743 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -8.772 4.214 3.491 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -6.998 5.945 1.695 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -7.820 6.410 3.172 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -5.189 5.720 3.247 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -6.249 5.274 4.570 1.00 10.00 H new ATOM 528 N VAL A 36 -7.233 1.570 0.702 1.00 10.00 N ATOM 529 CA VAL A 36 -7.173 1.075 -0.672 1.00 10.00 C ATOM 530 C VAL A 36 -8.523 1.241 -1.366 1.00 10.00 C ATOM 531 O VAL A 36 -9.558 1.341 -0.708 1.00 10.00 O ATOM 532 CB VAL A 36 -6.680 -0.382 -0.694 1.00 10.00 C ATOM 533 CG1 VAL A 36 -7.756 -1.349 -0.199 1.00 10.00 C ATOM 534 CG2 VAL A 36 -6.249 -0.838 -2.092 1.00 10.00 C ATOM 0 H VAL A 36 -7.635 0.898 1.355 1.00 10.00 H new ATOM 0 HA VAL A 36 -6.453 1.670 -1.233 1.00 10.00 H new ATOM 0 HB VAL A 36 -5.818 -0.402 -0.027 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -7.371 -2.368 -0.229 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -8.030 -1.095 0.825 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -8.635 -1.274 -0.839 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -5.910 -1.873 -2.049 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -7.094 -0.761 -2.776 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -5.436 -0.205 -2.447 1.00 10.00 H new ATOM 544 N ASN A 37 -8.517 1.264 -2.702 1.00 10.00 N ATOM 545 CA ASN A 37 -9.727 1.433 -3.492 1.00 10.00 C ATOM 546 C ASN A 37 -9.839 0.385 -4.604 1.00 10.00 C ATOM 547 O ASN A 37 -9.161 0.470 -5.632 1.00 10.00 O ATOM 548 CB ASN A 37 -9.749 2.847 -4.057 1.00 10.00 C ATOM 549 CG ASN A 37 -10.863 2.974 -5.081 1.00 10.00 C ATOM 550 OD1 ASN A 37 -12.006 2.609 -4.833 1.00 10.00 O ATOM 551 ND2 ASN A 37 -10.515 3.448 -6.266 1.00 10.00 N ATOM 0 H ASN A 37 -7.670 1.165 -3.261 1.00 10.00 H new ATOM 0 HA ASN A 37 -10.593 1.284 -2.847 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -9.898 3.568 -3.253 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -8.789 3.079 -4.519 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -11.209 3.519 -7.011 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -9.553 3.742 -6.435 1.00 10.00 H new ATOM 558 N PHE A 38 -10.755 -0.572 -4.419 1.00 10.00 N ATOM 559 CA PHE A 38 -11.055 -1.653 -5.355 1.00 10.00 C ATOM 560 C PHE A 38 -11.875 -1.135 -6.546 1.00 10.00 C ATOM 561 O PHE A 38 -13.007 -1.559 -6.764 1.00 10.00 O ATOM 562 CB PHE A 38 -11.791 -2.765 -4.592 1.00 10.00 C ATOM 563 CG PHE A 38 -11.848 -4.107 -5.298 1.00 10.00 C ATOM 564 CD1 PHE A 38 -10.694 -4.905 -5.366 1.00 10.00 C ATOM 565 CD2 PHE A 38 -13.055 -4.580 -5.848 1.00 10.00 C ATOM 566 CE1 PHE A 38 -10.743 -6.169 -5.975 1.00 10.00 C ATOM 567 CE2 PHE A 38 -13.103 -5.846 -6.460 1.00 10.00 C ATOM 568 CZ PHE A 38 -11.947 -6.642 -6.524 1.00 10.00 C ATOM 0 H PHE A 38 -11.329 -0.613 -3.577 1.00 10.00 H new ATOM 0 HA PHE A 38 -10.131 -2.057 -5.769 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -11.306 -2.902 -3.625 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -12.810 -2.434 -4.394 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -9.766 -4.545 -4.948 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -13.945 -3.970 -5.800 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -9.853 -6.779 -6.022 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -14.030 -6.206 -6.881 1.00 10.00 H new ATOM 0 HZ PHE A 38 -11.984 -7.614 -6.993 1.00 10.00 H new ATOM 578 N ALA A 39 -11.302 -0.204 -7.312 1.00 10.00 N ATOM 579 CA ALA A 39 -11.896 0.315 -8.542 1.00 10.00 C ATOM 580 C ALA A 39 -10.829 0.936 -9.445 1.00 10.00 C ATOM 581 O ALA A 39 -10.732 0.596 -10.617 1.00 10.00 O ATOM 582 CB ALA A 39 -12.999 1.327 -8.215 1.00 10.00 C ATOM 0 H ALA A 39 -10.399 0.215 -7.090 1.00 10.00 H new ATOM 0 HA ALA A 39 -12.345 -0.516 -9.085 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -13.432 1.705 -9.141 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -13.775 0.841 -7.623 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -12.576 2.156 -7.648 1.00 10.00 H new ATOM 588 N LEU A 40 -10.020 1.840 -8.883 1.00 10.00 N ATOM 589 CA LEU A 40 -8.869 2.448 -9.563 1.00 10.00 C ATOM 590 C LEU A 40 -7.609 1.621 -9.319 1.00 10.00 C ATOM 591 O LEU A 40 -6.520 2.032 -9.710 1.00 10.00 O ATOM 592 CB LEU A 40 -8.605 3.876 -9.052 1.00 10.00 C ATOM 593 CG LEU A 40 -9.789 4.803 -9.051 1.00 10.00 C ATOM 594 CD1 LEU A 40 -9.602 5.992 -8.097 1.00 10.00 C ATOM 595 CD2 LEU A 40 -10.093 5.302 -10.455 1.00 10.00 C ATOM 0 H LEU A 40 -10.147 2.176 -7.928 1.00 10.00 H new ATOM 0 HA LEU A 40 -9.106 2.479 -10.626 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -8.218 3.811 -8.035 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.820 4.321 -9.664 1.00 10.00 H new ATOM 0 HG LEU A 40 -10.637 4.222 -8.689 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.485 6.630 -8.134 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -9.462 5.624 -7.080 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -8.726 6.566 -8.399 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -10.954 5.970 -10.425 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -9.229 5.840 -10.845 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -10.315 4.454 -11.103 1.00 10.00 H new ATOM 607 N GLU A 41 -7.763 0.516 -8.583 1.00 10.00 N ATOM 608 CA GLU A 41 -6.706 -0.403 -8.179 1.00 10.00 C ATOM 609 C GLU A 41 -5.484 0.378 -7.680 1.00 10.00 C ATOM 610 O GLU A 41 -4.347 0.173 -8.090 1.00 10.00 O ATOM 611 CB GLU A 41 -6.465 -1.485 -9.249 1.00 10.00 C ATOM 612 CG GLU A 41 -6.191 -1.008 -10.686 1.00 10.00 C ATOM 613 CD GLU A 41 -6.195 -2.163 -11.687 1.00 10.00 C ATOM 614 OE1 GLU A 41 -6.148 -3.330 -11.235 1.00 10.00 O ATOM 615 OE2 GLU A 41 -6.295 -1.859 -12.895 1.00 10.00 O ATOM 0 H GLU A 41 -8.678 0.228 -8.237 1.00 10.00 H new ATOM 0 HA GLU A 41 -7.012 -0.989 -7.313 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -5.619 -2.094 -8.929 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -7.338 -2.138 -9.271 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -6.946 -0.276 -10.975 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -5.226 -0.502 -10.721 1.00 10.00 H new ATOM 622 N THR A 42 -5.776 1.306 -6.764 1.00 10.00 N ATOM 623 CA THR A 42 -4.873 2.276 -6.171 1.00 10.00 C ATOM 624 C THR A 42 -5.018 2.214 -4.643 1.00 10.00 C ATOM 625 O THR A 42 -6.113 1.940 -4.143 1.00 10.00 O ATOM 626 CB THR A 42 -5.237 3.675 -6.701 1.00 10.00 C ATOM 627 OG1 THR A 42 -5.066 3.761 -8.104 1.00 10.00 O ATOM 628 CG2 THR A 42 -4.380 4.781 -6.086 1.00 10.00 C ATOM 0 H THR A 42 -6.722 1.399 -6.395 1.00 10.00 H new ATOM 0 HA THR A 42 -3.838 2.059 -6.434 1.00 10.00 H new ATOM 0 HB THR A 42 -6.281 3.816 -6.423 1.00 10.00 H new ATOM 0 HG1 THR A 42 -5.647 3.107 -8.545 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.681 5.745 -6.496 1.00 10.00 H new ATOM 0 HG22 THR A 42 -4.517 4.788 -5.005 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.331 4.600 -6.318 1.00 10.00 H new ATOM 636 N VAL A 43 -3.929 2.490 -3.913 1.00 10.00 N ATOM 637 CA VAL A 43 -3.927 2.751 -2.475 1.00 10.00 C ATOM 638 C VAL A 43 -3.289 4.113 -2.222 1.00 10.00 C ATOM 639 O VAL A 43 -2.278 4.435 -2.850 1.00 10.00 O ATOM 640 CB VAL A 43 -3.208 1.624 -1.701 1.00 10.00 C ATOM 641 CG1 VAL A 43 -1.692 1.622 -1.920 1.00 10.00 C ATOM 642 CG2 VAL A 43 -3.449 1.711 -0.189 1.00 10.00 C ATOM 0 H VAL A 43 -2.997 2.538 -4.325 1.00 10.00 H new ATOM 0 HA VAL A 43 -4.953 2.769 -2.107 1.00 10.00 H new ATOM 0 HB VAL A 43 -3.638 0.706 -2.101 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.243 0.808 -1.351 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.478 1.485 -2.980 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -1.275 2.572 -1.585 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -2.923 0.897 0.311 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -3.079 2.666 0.184 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -4.517 1.632 0.014 1.00 10.00 H new ATOM 652 N THR A 44 -3.871 4.889 -1.303 1.00 10.00 N ATOM 653 CA THR A 44 -3.364 6.205 -0.928 1.00 10.00 C ATOM 654 C THR A 44 -2.818 6.109 0.496 1.00 10.00 C ATOM 655 O THR A 44 -3.592 6.037 1.447 1.00 10.00 O ATOM 656 CB THR A 44 -4.474 7.261 -1.060 1.00 10.00 C ATOM 657 OG1 THR A 44 -5.220 7.057 -2.247 1.00 10.00 O ATOM 658 CG2 THR A 44 -3.896 8.680 -1.060 1.00 10.00 C ATOM 0 H THR A 44 -4.713 4.616 -0.797 1.00 10.00 H new ATOM 0 HA THR A 44 -2.560 6.519 -1.593 1.00 10.00 H new ATOM 0 HB THR A 44 -5.131 7.152 -0.197 1.00 10.00 H new ATOM 0 HG1 THR A 44 -5.070 7.807 -2.860 1.00 10.00 H new ATOM 0 HG21 THR A 44 -4.706 9.403 -1.155 1.00 10.00 H new ATOM 0 HG22 THR A 44 -3.361 8.855 -0.127 1.00 10.00 H new ATOM 0 HG23 THR A 44 -3.209 8.793 -1.899 1.00 10.00 H new ATOM 666 N VAL A 45 -1.495 6.061 0.650 1.00 10.00 N ATOM 667 CA VAL A 45 -0.835 5.890 1.935 1.00 10.00 C ATOM 668 C VAL A 45 -0.469 7.242 2.523 1.00 10.00 C ATOM 669 O VAL A 45 0.209 8.042 1.883 1.00 10.00 O ATOM 670 CB VAL A 45 0.387 4.978 1.794 1.00 10.00 C ATOM 671 CG1 VAL A 45 1.090 4.756 3.141 1.00 10.00 C ATOM 672 CG2 VAL A 45 -0.097 3.636 1.243 1.00 10.00 C ATOM 0 H VAL A 45 -0.844 6.142 -0.131 1.00 10.00 H new ATOM 0 HA VAL A 45 -1.524 5.405 2.627 1.00 10.00 H new ATOM 0 HB VAL A 45 1.109 5.447 1.125 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.952 4.104 2.999 1.00 10.00 H new ATOM 0 HG12 VAL A 45 1.422 5.714 3.540 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.396 4.292 3.842 1.00 10.00 H new ATOM 0 HG21 VAL A 45 0.752 2.961 1.130 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -0.819 3.199 1.933 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -0.569 3.790 0.273 1.00 10.00 H new ATOM 682 N GLU A 46 -0.895 7.465 3.761 1.00 10.00 N ATOM 683 CA GLU A 46 -0.528 8.611 4.554 1.00 10.00 C ATOM 684 C GLU A 46 0.489 8.157 5.592 1.00 10.00 C ATOM 685 O GLU A 46 0.154 7.392 6.498 1.00 10.00 O ATOM 686 CB GLU A 46 -1.787 9.191 5.190 1.00 10.00 C ATOM 687 CG GLU A 46 -2.704 9.771 4.106 1.00 10.00 C ATOM 688 CD GLU A 46 -3.815 10.605 4.721 1.00 10.00 C ATOM 689 OE1 GLU A 46 -4.519 10.039 5.586 1.00 10.00 O ATOM 690 OE2 GLU A 46 -3.910 11.796 4.350 1.00 10.00 O ATOM 0 H GLU A 46 -1.525 6.827 4.247 1.00 10.00 H new ATOM 0 HA GLU A 46 -0.074 9.396 3.950 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -2.313 8.415 5.746 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -1.518 9.969 5.905 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -2.120 10.386 3.421 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -3.136 8.961 3.518 1.00 10.00 H new ATOM 697 N TYR A 47 1.731 8.622 5.453 1.00 10.00 N ATOM 698 CA TYR A 47 2.818 8.350 6.377 1.00 10.00 C ATOM 699 C TYR A 47 3.736 9.563 6.405 1.00 10.00 C ATOM 700 O TYR A 47 3.488 10.549 5.713 1.00 10.00 O ATOM 701 CB TYR A 47 3.575 7.064 6.002 1.00 10.00 C ATOM 702 CG TYR A 47 4.587 7.145 4.866 1.00 10.00 C ATOM 703 CD1 TYR A 47 4.184 7.434 3.546 1.00 10.00 C ATOM 704 CD2 TYR A 47 5.938 6.833 5.120 1.00 10.00 C ATOM 705 CE1 TYR A 47 5.135 7.471 2.509 1.00 10.00 C ATOM 706 CE2 TYR A 47 6.879 6.848 4.078 1.00 10.00 C ATOM 707 CZ TYR A 47 6.487 7.198 2.779 1.00 10.00 C ATOM 708 OH TYR A 47 7.411 7.220 1.774 1.00 10.00 O ATOM 0 H TYR A 47 2.010 9.214 4.671 1.00 10.00 H new ATOM 0 HA TYR A 47 2.416 8.178 7.375 1.00 10.00 H new ATOM 0 HB2 TYR A 47 4.096 6.710 6.891 1.00 10.00 H new ATOM 0 HB3 TYR A 47 2.838 6.305 5.741 1.00 10.00 H new ATOM 0 HD1 TYR A 47 3.144 7.627 3.330 1.00 10.00 H new ATOM 0 HD2 TYR A 47 6.251 6.581 6.122 1.00 10.00 H new ATOM 0 HE1 TYR A 47 4.825 7.710 1.502 1.00 10.00 H new ATOM 0 HE2 TYR A 47 7.908 6.589 4.278 1.00 10.00 H new ATOM 0 HH TYR A 47 8.296 7.009 2.139 1.00 10.00 H new ATOM 718 N ASN A 48 4.788 9.494 7.216 1.00 10.00 N ATOM 719 CA ASN A 48 5.852 10.469 7.254 1.00 10.00 C ATOM 720 C ASN A 48 7.133 9.760 6.813 1.00 10.00 C ATOM 721 O ASN A 48 7.402 8.661 7.301 1.00 10.00 O ATOM 722 CB ASN A 48 5.978 11.018 8.675 1.00 10.00 C ATOM 723 CG ASN A 48 6.395 9.972 9.705 1.00 10.00 C ATOM 724 OD1 ASN A 48 7.566 9.873 10.050 1.00 10.00 O ATOM 725 ND2 ASN A 48 5.438 9.198 10.206 1.00 10.00 N ATOM 0 H ASN A 48 4.919 8.732 7.881 1.00 10.00 H new ATOM 0 HA ASN A 48 5.654 11.311 6.590 1.00 10.00 H new ATOM 0 HB2 ASN A 48 6.707 11.828 8.678 1.00 10.00 H new ATOM 0 HB3 ASN A 48 5.022 11.448 8.974 1.00 10.00 H new ATOM 0 HD21 ASN A 48 5.667 8.490 10.904 1.00 10.00 H new ATOM 0 HD22 ASN A 48 4.474 9.312 9.893 1.00 10.00 H new ATOM 732 N PRO A 49 7.933 10.344 5.909 1.00 10.00 N ATOM 733 CA PRO A 49 9.160 9.732 5.428 1.00 10.00 C ATOM 734 C PRO A 49 10.263 9.941 6.471 1.00 10.00 C ATOM 735 O PRO A 49 11.265 10.608 6.217 1.00 10.00 O ATOM 736 CB PRO A 49 9.444 10.437 4.097 1.00 10.00 C ATOM 737 CG PRO A 49 8.916 11.850 4.345 1.00 10.00 C ATOM 738 CD PRO A 49 7.688 11.601 5.223 1.00 10.00 C ATOM 0 HA PRO A 49 9.096 8.655 5.276 1.00 10.00 H new ATOM 0 HB2 PRO A 49 10.508 10.438 3.859 1.00 10.00 H new ATOM 0 HB3 PRO A 49 8.931 9.953 3.265 1.00 10.00 H new ATOM 0 HG2 PRO A 49 9.653 12.475 4.848 1.00 10.00 H new ATOM 0 HG3 PRO A 49 8.653 12.353 3.414 1.00 10.00 H new ATOM 0 HD2 PRO A 49 7.547 12.413 5.936 1.00 10.00 H new ATOM 0 HD3 PRO A 49 6.782 11.546 4.620 1.00 10.00 H new ATOM 746 N LYS A 50 10.055 9.399 7.675 1.00 10.00 N ATOM 747 CA LYS A 50 10.986 9.528 8.786 1.00 10.00 C ATOM 748 C LYS A 50 10.913 8.311 9.717 1.00 10.00 C ATOM 749 O LYS A 50 11.402 8.382 10.842 1.00 10.00 O ATOM 750 CB LYS A 50 10.700 10.855 9.517 1.00 10.00 C ATOM 751 CG LYS A 50 11.947 11.543 10.085 1.00 10.00 C ATOM 752 CD LYS A 50 12.949 11.895 8.970 1.00 10.00 C ATOM 753 CE LYS A 50 13.861 13.072 9.339 1.00 10.00 C ATOM 754 NZ LYS A 50 13.165 14.370 9.217 1.00 10.00 N ATOM 0 H LYS A 50 9.224 8.853 7.902 1.00 10.00 H new ATOM 0 HA LYS A 50 12.010 9.553 8.413 1.00 10.00 H new ATOM 0 HB2 LYS A 50 10.205 11.538 8.826 1.00 10.00 H new ATOM 0 HB3 LYS A 50 10.001 10.664 10.332 1.00 10.00 H new ATOM 0 HG2 LYS A 50 11.655 12.450 10.614 1.00 10.00 H new ATOM 0 HG3 LYS A 50 12.426 10.889 10.814 1.00 10.00 H new ATOM 0 HD2 LYS A 50 13.562 11.021 8.750 1.00 10.00 H new ATOM 0 HD3 LYS A 50 12.401 12.137 8.059 1.00 10.00 H new ATOM 0 HE2 LYS A 50 14.219 12.947 10.361 1.00 10.00 H new ATOM 0 HE3 LYS A 50 14.738 13.068 8.692 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 13.816 15.139 9.475 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 12.846 14.502 8.236 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 12.343 14.384 9.854 1.00 10.00 H new ATOM 768 N GLU A 51 10.332 7.211 9.225 1.00 10.00 N ATOM 769 CA GLU A 51 10.157 5.940 9.914 1.00 10.00 C ATOM 770 C GLU A 51 10.298 4.846 8.853 1.00 10.00 C ATOM 771 O GLU A 51 11.267 4.093 8.837 1.00 10.00 O ATOM 772 CB GLU A 51 8.756 5.889 10.550 1.00 10.00 C ATOM 773 CG GLU A 51 8.684 6.529 11.944 1.00 10.00 C ATOM 774 CD GLU A 51 8.970 5.513 13.045 1.00 10.00 C ATOM 775 OE1 GLU A 51 10.083 4.945 13.024 1.00 10.00 O ATOM 776 OE2 GLU A 51 8.057 5.311 13.873 1.00 10.00 O ATOM 0 H GLU A 51 9.951 7.189 8.279 1.00 10.00 H new ATOM 0 HA GLU A 51 10.892 5.808 10.708 1.00 10.00 H new ATOM 0 HB2 GLU A 51 8.050 6.395 9.891 1.00 10.00 H new ATOM 0 HB3 GLU A 51 8.437 4.849 10.621 1.00 10.00 H new ATOM 0 HG2 GLU A 51 9.402 7.346 12.007 1.00 10.00 H new ATOM 0 HG3 GLU A 51 7.695 6.962 12.096 1.00 10.00 H new ATOM 783 N ALA A 52 9.320 4.803 7.945 1.00 10.00 N ATOM 784 CA ALA A 52 9.254 3.887 6.820 1.00 10.00 C ATOM 785 C ALA A 52 9.669 4.614 5.542 1.00 10.00 C ATOM 786 O ALA A 52 9.952 5.814 5.569 1.00 10.00 O ATOM 787 CB ALA A 52 7.812 3.392 6.716 1.00 10.00 C ATOM 0 H ALA A 52 8.521 5.436 7.982 1.00 10.00 H new ATOM 0 HA ALA A 52 9.930 3.043 6.960 1.00 10.00 H new ATOM 0 HB1 ALA A 52 7.725 2.699 5.879 1.00 10.00 H new ATOM 0 HB2 ALA A 52 7.535 2.883 7.639 1.00 10.00 H new ATOM 0 HB3 ALA A 52 7.147 4.240 6.556 1.00 10.00 H new ATOM 793 N SER A 53 9.640 3.894 4.417 1.00 10.00 N ATOM 794 CA SER A 53 9.920 4.430 3.095 1.00 10.00 C ATOM 795 C SER A 53 9.035 3.715 2.075 1.00 10.00 C ATOM 796 O SER A 53 8.735 2.529 2.232 1.00 10.00 O ATOM 797 CB SER A 53 11.405 4.266 2.724 1.00 10.00 C ATOM 798 OG SER A 53 12.220 3.976 3.841 1.00 10.00 O ATOM 0 H SER A 53 9.415 2.899 4.407 1.00 10.00 H new ATOM 0 HA SER A 53 9.702 5.498 3.094 1.00 10.00 H new ATOM 0 HB2 SER A 53 11.505 3.467 1.990 1.00 10.00 H new ATOM 0 HB3 SER A 53 11.759 5.181 2.249 1.00 10.00 H new ATOM 0 HG SER A 53 12.536 3.050 3.784 1.00 10.00 H new ATOM 804 N VAL A 54 8.657 4.427 1.008 1.00 10.00 N ATOM 805 CA VAL A 54 7.893 3.876 -0.106 1.00 10.00 C ATOM 806 C VAL A 54 8.495 2.556 -0.617 1.00 10.00 C ATOM 807 O VAL A 54 7.777 1.584 -0.836 1.00 10.00 O ATOM 808 CB VAL A 54 7.692 4.945 -1.192 1.00 10.00 C ATOM 809 CG1 VAL A 54 9.000 5.471 -1.799 1.00 10.00 C ATOM 810 CG2 VAL A 54 6.772 4.438 -2.309 1.00 10.00 C ATOM 0 H VAL A 54 8.879 5.416 0.897 1.00 10.00 H new ATOM 0 HA VAL A 54 6.897 3.603 0.243 1.00 10.00 H new ATOM 0 HB VAL A 54 7.222 5.784 -0.679 1.00 10.00 H new ATOM 0 HG11 VAL A 54 8.774 6.221 -2.557 1.00 10.00 H new ATOM 0 HG12 VAL A 54 9.610 5.920 -1.015 1.00 10.00 H new ATOM 0 HG13 VAL A 54 9.546 4.646 -2.257 1.00 10.00 H new ATOM 0 HG21 VAL A 54 6.650 5.217 -3.061 1.00 10.00 H new ATOM 0 HG22 VAL A 54 7.213 3.554 -2.770 1.00 10.00 H new ATOM 0 HG23 VAL A 54 5.799 4.182 -1.891 1.00 10.00 H new ATOM 820 N SER A 55 9.820 2.502 -0.782 1.00 10.00 N ATOM 821 CA SER A 55 10.490 1.301 -1.276 1.00 10.00 C ATOM 822 C SER A 55 10.304 0.108 -0.328 1.00 10.00 C ATOM 823 O SER A 55 10.129 -1.020 -0.785 1.00 10.00 O ATOM 824 CB SER A 55 11.975 1.585 -1.546 1.00 10.00 C ATOM 825 OG SER A 55 12.517 0.587 -2.389 1.00 10.00 O ATOM 0 H SER A 55 10.449 3.279 -0.579 1.00 10.00 H new ATOM 0 HA SER A 55 10.021 1.023 -2.220 1.00 10.00 H new ATOM 0 HB2 SER A 55 12.087 2.564 -2.011 1.00 10.00 H new ATOM 0 HB3 SER A 55 12.524 1.614 -0.605 1.00 10.00 H new ATOM 0 HG SER A 55 13.464 0.778 -2.556 1.00 10.00 H new ATOM 831 N ASP A 56 10.353 0.339 0.986 1.00 10.00 N ATOM 832 CA ASP A 56 10.224 -0.730 1.969 1.00 10.00 C ATOM 833 C ASP A 56 8.800 -1.275 1.930 1.00 10.00 C ATOM 834 O ASP A 56 8.578 -2.473 1.744 1.00 10.00 O ATOM 835 CB ASP A 56 10.569 -0.208 3.367 1.00 10.00 C ATOM 836 CG ASP A 56 12.024 0.220 3.458 1.00 10.00 C ATOM 837 OD1 ASP A 56 12.868 -0.665 3.703 1.00 10.00 O ATOM 838 OD2 ASP A 56 12.258 1.430 3.252 1.00 10.00 O ATOM 0 H ASP A 56 10.482 1.266 1.392 1.00 10.00 H new ATOM 0 HA ASP A 56 10.920 -1.534 1.730 1.00 10.00 H new ATOM 0 HB2 ASP A 56 9.924 0.636 3.611 1.00 10.00 H new ATOM 0 HB3 ASP A 56 10.370 -0.984 4.106 1.00 10.00 H new ATOM 843 N LEU A 57 7.819 -0.379 2.074 1.00 10.00 N ATOM 844 CA LEU A 57 6.419 -0.763 2.001 1.00 10.00 C ATOM 845 C LEU A 57 6.112 -1.462 0.680 1.00 10.00 C ATOM 846 O LEU A 57 5.294 -2.383 0.655 1.00 10.00 O ATOM 847 CB LEU A 57 5.487 0.404 2.344 1.00 10.00 C ATOM 848 CG LEU A 57 5.430 1.592 1.389 1.00 10.00 C ATOM 849 CD1 LEU A 57 4.669 1.329 0.086 1.00 10.00 C ATOM 850 CD2 LEU A 57 4.745 2.761 2.107 1.00 10.00 C ATOM 0 H LEU A 57 7.975 0.615 2.241 1.00 10.00 H new ATOM 0 HA LEU A 57 6.218 -1.505 2.774 1.00 10.00 H new ATOM 0 HB2 LEU A 57 4.477 0.005 2.439 1.00 10.00 H new ATOM 0 HB3 LEU A 57 5.774 0.781 3.326 1.00 10.00 H new ATOM 0 HG LEU A 57 6.462 1.806 1.112 1.00 10.00 H new ATOM 0 HD11 LEU A 57 4.680 2.228 -0.530 1.00 10.00 H new ATOM 0 HD12 LEU A 57 5.146 0.512 -0.456 1.00 10.00 H new ATOM 0 HD13 LEU A 57 3.638 1.059 0.315 1.00 10.00 H new ATOM 0 HD21 LEU A 57 4.696 3.620 1.438 1.00 10.00 H new ATOM 0 HD22 LEU A 57 3.736 2.469 2.397 1.00 10.00 H new ATOM 0 HD23 LEU A 57 5.316 3.026 2.997 1.00 10.00 H new ATOM 862 N LYS A 58 6.806 -1.070 -0.401 1.00 10.00 N ATOM 863 CA LYS A 58 6.698 -1.769 -1.668 1.00 10.00 C ATOM 864 C LYS A 58 6.928 -3.249 -1.399 1.00 10.00 C ATOM 865 O LYS A 58 6.039 -4.046 -1.672 1.00 10.00 O ATOM 866 CB LYS A 58 7.699 -1.222 -2.703 1.00 10.00 C ATOM 867 CG LYS A 58 7.271 -1.390 -4.164 1.00 10.00 C ATOM 868 CD LYS A 58 6.850 -2.823 -4.531 1.00 10.00 C ATOM 869 CE LYS A 58 7.364 -3.286 -5.902 1.00 10.00 C ATOM 870 NZ LYS A 58 8.624 -4.045 -5.773 1.00 10.00 N ATOM 0 H LYS A 58 7.443 -0.274 -0.411 1.00 10.00 H new ATOM 0 HA LYS A 58 5.707 -1.615 -2.096 1.00 10.00 H new ATOM 0 HB2 LYS A 58 7.860 -0.162 -2.506 1.00 10.00 H new ATOM 0 HB3 LYS A 58 8.657 -1.722 -2.560 1.00 10.00 H new ATOM 0 HG2 LYS A 58 6.440 -0.714 -4.369 1.00 10.00 H new ATOM 0 HG3 LYS A 58 8.095 -1.087 -4.810 1.00 10.00 H new ATOM 0 HD2 LYS A 58 7.217 -3.507 -3.766 1.00 10.00 H new ATOM 0 HD3 LYS A 58 5.762 -2.886 -4.521 1.00 10.00 H new ATOM 0 HE2 LYS A 58 6.610 -3.908 -6.385 1.00 10.00 H new ATOM 0 HE3 LYS A 58 7.522 -2.420 -6.545 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 9.061 -4.154 -6.710 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 9.275 -3.532 -5.145 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 8.424 -4.984 -5.373 1.00 10.00 H new ATOM 884 N GLU A 59 8.106 -3.609 -0.881 1.00 10.00 N ATOM 885 CA GLU A 59 8.495 -4.997 -0.679 1.00 10.00 C ATOM 886 C GLU A 59 7.464 -5.710 0.200 1.00 10.00 C ATOM 887 O GLU A 59 7.067 -6.829 -0.087 1.00 10.00 O ATOM 888 CB GLU A 59 9.916 -5.049 -0.098 1.00 10.00 C ATOM 889 CG GLU A 59 10.604 -6.412 -0.298 1.00 10.00 C ATOM 890 CD GLU A 59 10.088 -7.525 0.616 1.00 10.00 C ATOM 891 OE1 GLU A 59 9.576 -7.189 1.706 1.00 10.00 O ATOM 892 OE2 GLU A 59 10.233 -8.701 0.216 1.00 10.00 O ATOM 0 H GLU A 59 8.817 -2.938 -0.590 1.00 10.00 H new ATOM 0 HA GLU A 59 8.513 -5.528 -1.631 1.00 10.00 H new ATOM 0 HB2 GLU A 59 10.521 -4.272 -0.565 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.874 -4.823 0.968 1.00 10.00 H new ATOM 0 HG2 GLU A 59 10.474 -6.721 -1.335 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.675 -6.292 -0.133 1.00 10.00 H new ATOM 899 N ALA A 60 6.971 -5.028 1.231 1.00 10.00 N ATOM 900 CA ALA A 60 6.010 -5.577 2.177 1.00 10.00 C ATOM 901 C ALA A 60 4.701 -5.966 1.481 1.00 10.00 C ATOM 902 O ALA A 60 4.120 -7.009 1.785 1.00 10.00 O ATOM 903 CB ALA A 60 5.767 -4.574 3.306 1.00 10.00 C ATOM 0 H ALA A 60 7.234 -4.063 1.434 1.00 10.00 H new ATOM 0 HA ALA A 60 6.424 -6.490 2.606 1.00 10.00 H new ATOM 0 HB1 ALA A 60 5.047 -4.988 4.012 1.00 10.00 H new ATOM 0 HB2 ALA A 60 6.706 -4.372 3.821 1.00 10.00 H new ATOM 0 HB3 ALA A 60 5.374 -3.646 2.890 1.00 10.00 H new ATOM 909 N VAL A 61 4.226 -5.127 0.557 1.00 10.00 N ATOM 910 CA VAL A 61 3.063 -5.437 -0.268 1.00 10.00 C ATOM 911 C VAL A 61 3.423 -6.507 -1.303 1.00 10.00 C ATOM 912 O VAL A 61 2.681 -7.468 -1.478 1.00 10.00 O ATOM 913 CB VAL A 61 2.518 -4.142 -0.895 1.00 10.00 C ATOM 914 CG1 VAL A 61 1.378 -4.444 -1.871 1.00 10.00 C ATOM 915 CG2 VAL A 61 1.979 -3.216 0.207 1.00 10.00 C ATOM 0 H VAL A 61 4.639 -4.215 0.362 1.00 10.00 H new ATOM 0 HA VAL A 61 2.264 -5.856 0.343 1.00 10.00 H new ATOM 0 HB VAL A 61 3.335 -3.661 -1.432 1.00 10.00 H new ATOM 0 HG11 VAL A 61 1.010 -3.512 -2.300 1.00 10.00 H new ATOM 0 HG12 VAL A 61 1.743 -5.092 -2.668 1.00 10.00 H new ATOM 0 HG13 VAL A 61 0.567 -4.944 -1.340 1.00 10.00 H new ATOM 0 HG21 VAL A 61 1.594 -2.301 -0.243 1.00 10.00 H new ATOM 0 HG22 VAL A 61 1.177 -3.720 0.746 1.00 10.00 H new ATOM 0 HG23 VAL A 61 2.783 -2.969 0.901 1.00 10.00 H new ATOM 925 N ASP A 62 4.574 -6.369 -1.961 1.00 10.00 N ATOM 926 CA ASP A 62 5.123 -7.333 -2.912 1.00 10.00 C ATOM 927 C ASP A 62 5.091 -8.738 -2.292 1.00 10.00 C ATOM 928 O ASP A 62 4.670 -9.708 -2.922 1.00 10.00 O ATOM 929 CB ASP A 62 6.547 -6.882 -3.294 1.00 10.00 C ATOM 930 CG ASP A 62 6.980 -7.269 -4.693 1.00 10.00 C ATOM 931 OD1 ASP A 62 6.750 -8.432 -5.081 1.00 10.00 O ATOM 932 OD2 ASP A 62 7.551 -6.385 -5.375 1.00 10.00 O ATOM 0 H ASP A 62 5.172 -5.551 -1.841 1.00 10.00 H new ATOM 0 HA ASP A 62 4.527 -7.375 -3.824 1.00 10.00 H new ATOM 0 HB2 ASP A 62 6.609 -5.798 -3.196 1.00 10.00 H new ATOM 0 HB3 ASP A 62 7.252 -7.307 -2.580 1.00 10.00 H new ATOM 937 N LYS A 63 5.446 -8.818 -1.003 1.00 10.00 N ATOM 938 CA LYS A 63 5.438 -10.029 -0.186 1.00 10.00 C ATOM 939 C LYS A 63 4.097 -10.775 -0.219 1.00 10.00 C ATOM 940 O LYS A 63 4.072 -11.988 -0.014 1.00 10.00 O ATOM 941 CB LYS A 63 5.820 -9.686 1.269 1.00 10.00 C ATOM 942 CG LYS A 63 7.028 -10.471 1.794 1.00 10.00 C ATOM 943 CD LYS A 63 6.747 -11.978 1.887 1.00 10.00 C ATOM 944 CE LYS A 63 7.920 -12.684 2.583 1.00 10.00 C ATOM 945 NZ LYS A 63 7.780 -14.154 2.557 1.00 10.00 N ATOM 0 H LYS A 63 5.760 -8.000 -0.481 1.00 10.00 H new ATOM 0 HA LYS A 63 6.178 -10.703 -0.618 1.00 10.00 H new ATOM 0 HB2 LYS A 63 6.035 -8.619 1.336 1.00 10.00 H new ATOM 0 HB3 LYS A 63 4.964 -9.880 1.915 1.00 10.00 H new ATOM 0 HG2 LYS A 63 7.881 -10.303 1.137 1.00 10.00 H new ATOM 0 HG3 LYS A 63 7.304 -10.094 2.779 1.00 10.00 H new ATOM 0 HD2 LYS A 63 5.825 -12.152 2.442 1.00 10.00 H new ATOM 0 HD3 LYS A 63 6.601 -12.392 0.889 1.00 10.00 H new ATOM 0 HE2 LYS A 63 8.853 -12.401 2.096 1.00 10.00 H new ATOM 0 HE3 LYS A 63 7.984 -12.345 3.617 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 8.593 -14.589 3.038 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 6.903 -14.428 3.044 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 7.745 -14.482 1.571 1.00 10.00 H new ATOM 959 N LEU A 64 2.981 -10.065 -0.422 1.00 10.00 N ATOM 960 CA LEU A 64 1.650 -10.657 -0.501 1.00 10.00 C ATOM 961 C LEU A 64 1.415 -11.334 -1.860 1.00 10.00 C ATOM 962 O LEU A 64 0.554 -12.207 -1.949 1.00 10.00 O ATOM 963 CB LEU A 64 0.589 -9.583 -0.215 1.00 10.00 C ATOM 964 CG LEU A 64 0.552 -9.127 1.253 1.00 10.00 C ATOM 965 CD1 LEU A 64 -0.121 -7.750 1.363 1.00 10.00 C ATOM 966 CD2 LEU A 64 -0.209 -10.142 2.118 1.00 10.00 C ATOM 0 H LEU A 64 2.982 -9.051 -0.537 1.00 10.00 H new ATOM 0 HA LEU A 64 1.569 -11.437 0.256 1.00 10.00 H new ATOM 0 HB2 LEU A 64 0.780 -8.718 -0.850 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -0.392 -9.971 -0.491 1.00 10.00 H new ATOM 0 HG LEU A 64 1.578 -9.058 1.614 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -0.142 -7.437 2.407 1.00 10.00 H new ATOM 0 HD12 LEU A 64 0.441 -7.023 0.777 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -1.141 -7.812 0.983 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -0.223 -9.800 3.153 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -1.232 -10.237 1.753 1.00 10.00 H new ATOM 0 HD23 LEU A 64 0.287 -11.111 2.063 1.00 10.00 H new ATOM 978 N GLY A 65 2.168 -10.966 -2.905 1.00 10.00 N ATOM 979 CA GLY A 65 2.178 -11.656 -4.192 1.00 10.00 C ATOM 980 C GLY A 65 2.047 -10.665 -5.345 1.00 10.00 C ATOM 981 O GLY A 65 2.921 -10.578 -6.211 1.00 10.00 O ATOM 0 H GLY A 65 2.798 -10.164 -2.874 1.00 10.00 H new ATOM 0 HA2 GLY A 65 3.103 -12.222 -4.298 1.00 10.00 H new ATOM 0 HA3 GLY A 65 1.359 -12.374 -4.230 1.00 10.00 H new ATOM 985 N TYR A 66 0.927 -9.938 -5.356 1.00 10.00 N ATOM 986 CA TYR A 66 0.637 -8.888 -6.327 1.00 10.00 C ATOM 987 C TYR A 66 1.698 -7.784 -6.279 1.00 10.00 C ATOM 988 O TYR A 66 2.480 -7.705 -5.332 1.00 10.00 O ATOM 989 CB TYR A 66 -0.782 -8.340 -6.111 1.00 10.00 C ATOM 990 CG TYR A 66 -1.267 -8.283 -4.679 1.00 10.00 C ATOM 991 CD1 TYR A 66 -0.559 -7.526 -3.731 1.00 10.00 C ATOM 992 CD2 TYR A 66 -2.393 -9.029 -4.282 1.00 10.00 C ATOM 993 CE1 TYR A 66 -0.990 -7.504 -2.399 1.00 10.00 C ATOM 994 CE2 TYR A 66 -2.835 -8.975 -2.949 1.00 10.00 C ATOM 995 CZ TYR A 66 -2.177 -8.152 -2.027 1.00 10.00 C ATOM 996 OH TYR A 66 -2.693 -7.974 -0.779 1.00 10.00 O ATOM 0 H TYR A 66 0.181 -10.069 -4.673 1.00 10.00 H new ATOM 0 HA TYR A 66 0.676 -9.316 -7.329 1.00 10.00 H new ATOM 0 HB2 TYR A 66 -0.828 -7.334 -6.528 1.00 10.00 H new ATOM 0 HB3 TYR A 66 -1.477 -8.954 -6.684 1.00 10.00 H new ATOM 0 HD1 TYR A 66 0.314 -6.964 -4.028 1.00 10.00 H new ATOM 0 HD2 TYR A 66 -2.916 -9.642 -5.001 1.00 10.00 H new ATOM 0 HE1 TYR A 66 -0.405 -6.985 -1.654 1.00 10.00 H new ATOM 0 HE2 TYR A 66 -3.682 -9.568 -2.636 1.00 10.00 H new ATOM 0 HH TYR A 66 -3.653 -7.788 -0.845 1.00 10.00 H new ATOM 1006 N LYS A 67 1.739 -6.939 -7.311 1.00 10.00 N ATOM 1007 CA LYS A 67 2.753 -5.899 -7.451 1.00 10.00 C ATOM 1008 C LYS A 67 2.150 -4.530 -7.171 1.00 10.00 C ATOM 1009 O LYS A 67 0.950 -4.330 -7.333 1.00 10.00 O ATOM 1010 CB LYS A 67 3.402 -5.965 -8.843 1.00 10.00 C ATOM 1011 CG LYS A 67 4.805 -6.580 -8.796 1.00 10.00 C ATOM 1012 CD LYS A 67 4.813 -7.991 -8.189 1.00 10.00 C ATOM 1013 CE LYS A 67 6.217 -8.602 -8.243 1.00 10.00 C ATOM 1014 NZ LYS A 67 6.345 -9.723 -7.290 1.00 10.00 N ATOM 0 H LYS A 67 1.065 -6.959 -8.076 1.00 10.00 H new ATOM 0 HA LYS A 67 3.539 -6.068 -6.716 1.00 10.00 H new ATOM 0 HB2 LYS A 67 2.771 -6.553 -9.509 1.00 10.00 H new ATOM 0 HB3 LYS A 67 3.461 -4.961 -9.263 1.00 10.00 H new ATOM 0 HG2 LYS A 67 5.213 -6.621 -9.806 1.00 10.00 H new ATOM 0 HG3 LYS A 67 5.461 -5.934 -8.213 1.00 10.00 H new ATOM 0 HD2 LYS A 67 4.470 -7.948 -7.155 1.00 10.00 H new ATOM 0 HD3 LYS A 67 4.114 -8.628 -8.731 1.00 10.00 H new ATOM 0 HE2 LYS A 67 6.425 -8.954 -9.253 1.00 10.00 H new ATOM 0 HE3 LYS A 67 6.959 -7.838 -8.012 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 7.031 -10.413 -7.656 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 6.673 -9.362 -6.372 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 5.421 -10.184 -7.170 1.00 10.00 H new ATOM 1028 N LEU A 68 3.009 -3.601 -6.748 1.00 10.00 N ATOM 1029 CA LEU A 68 2.688 -2.228 -6.415 1.00 10.00 C ATOM 1030 C LEU A 68 3.823 -1.381 -6.966 1.00 10.00 C ATOM 1031 O LEU A 68 4.966 -1.844 -7.009 1.00 10.00 O ATOM 1032 CB LEU A 68 2.591 -2.077 -4.897 1.00 10.00 C ATOM 1033 CG LEU A 68 2.227 -0.678 -4.370 1.00 10.00 C ATOM 1034 CD1 LEU A 68 1.386 -0.832 -3.101 1.00 10.00 C ATOM 1035 CD2 LEU A 68 3.485 0.118 -3.981 1.00 10.00 C ATOM 0 H LEU A 68 4.000 -3.806 -6.625 1.00 10.00 H new ATOM 0 HA LEU A 68 1.732 -1.920 -6.838 1.00 10.00 H new ATOM 0 HB2 LEU A 68 1.847 -2.784 -4.530 1.00 10.00 H new ATOM 0 HB3 LEU A 68 3.548 -2.367 -4.463 1.00 10.00 H new ATOM 0 HG LEU A 68 1.689 -0.153 -5.159 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.122 0.154 -2.718 1.00 10.00 H new ATOM 0 HD12 LEU A 68 0.477 -1.387 -3.332 1.00 10.00 H new ATOM 0 HD13 LEU A 68 1.959 -1.372 -2.348 1.00 10.00 H new ATOM 0 HD21 LEU A 68 3.194 1.102 -3.613 1.00 10.00 H new ATOM 0 HD22 LEU A 68 4.027 -0.416 -3.200 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.127 0.233 -4.854 1.00 10.00 H new ATOM 1047 N LYS A 69 3.517 -0.149 -7.353 1.00 10.00 N ATOM 1048 CA LYS A 69 4.470 0.872 -7.751 1.00 10.00 C ATOM 1049 C LYS A 69 3.880 2.239 -7.416 1.00 10.00 C ATOM 1050 O LYS A 69 2.681 2.351 -7.174 1.00 10.00 O ATOM 1051 CB LYS A 69 4.764 0.803 -9.253 1.00 10.00 C ATOM 1052 CG LYS A 69 5.432 -0.504 -9.700 1.00 10.00 C ATOM 1053 CD LYS A 69 6.147 -0.311 -11.045 1.00 10.00 C ATOM 1054 CE LYS A 69 7.581 0.202 -10.826 1.00 10.00 C ATOM 1055 NZ LYS A 69 8.217 0.644 -12.084 1.00 10.00 N ATOM 0 H LYS A 69 2.552 0.178 -7.399 1.00 10.00 H new ATOM 0 HA LYS A 69 5.406 0.710 -7.216 1.00 10.00 H new ATOM 0 HB2 LYS A 69 3.830 0.928 -9.801 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.408 1.639 -9.525 1.00 10.00 H new ATOM 0 HG2 LYS A 69 6.147 -0.830 -8.945 1.00 10.00 H new ATOM 0 HG3 LYS A 69 4.682 -1.290 -9.790 1.00 10.00 H new ATOM 0 HD2 LYS A 69 6.172 -1.255 -11.589 1.00 10.00 H new ATOM 0 HD3 LYS A 69 5.592 0.397 -11.660 1.00 10.00 H new ATOM 0 HE2 LYS A 69 7.564 1.032 -10.119 1.00 10.00 H new ATOM 0 HE3 LYS A 69 8.182 -0.588 -10.376 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 9.181 0.981 -11.886 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 8.259 -0.153 -12.751 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 7.660 1.416 -12.502 1.00 10.00 H new ATOM 1069 N LEU A 70 4.728 3.271 -7.412 1.00 10.00 N ATOM 1070 CA LEU A 70 4.313 4.642 -7.156 1.00 10.00 C ATOM 1071 C LEU A 70 3.393 5.156 -8.255 1.00 10.00 C ATOM 1072 O LEU A 70 3.562 4.813 -9.424 1.00 10.00 O ATOM 1073 CB LEU A 70 5.540 5.536 -6.909 1.00 10.00 C ATOM 1074 CG LEU A 70 5.348 7.064 -7.028 1.00 10.00 C ATOM 1075 CD1 LEU A 70 6.407 7.776 -6.175 1.00 10.00 C ATOM 1076 CD2 LEU A 70 5.513 7.567 -8.471 1.00 10.00 C ATOM 0 H LEU A 70 5.728 3.172 -7.588 1.00 10.00 H new ATOM 0 HA LEU A 70 3.720 4.671 -6.242 1.00 10.00 H new ATOM 0 HB2 LEU A 70 5.916 5.322 -5.908 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.318 5.240 -7.612 1.00 10.00 H new ATOM 0 HG LEU A 70 4.334 7.282 -6.691 1.00 10.00 H new ATOM 0 HD11 LEU A 70 6.275 8.855 -6.257 1.00 10.00 H new ATOM 0 HD12 LEU A 70 6.298 7.475 -5.133 1.00 10.00 H new ATOM 0 HD13 LEU A 70 7.402 7.505 -6.529 1.00 10.00 H new ATOM 0 HD21 LEU A 70 5.368 8.647 -8.499 1.00 10.00 H new ATOM 0 HD22 LEU A 70 6.514 7.326 -8.828 1.00 10.00 H new ATOM 0 HD23 LEU A 70 4.774 7.085 -9.111 1.00 10.00 H new ATOM 1088 N LYS A 71 2.441 5.996 -7.845 1.00 10.00 N ATOM 1089 CA LYS A 71 1.533 6.727 -8.709 1.00 10.00 C ATOM 1090 C LYS A 71 1.837 8.219 -8.637 1.00 10.00 C ATOM 1091 O LYS A 71 2.112 8.842 -9.659 1.00 10.00 O ATOM 1092 CB LYS A 71 0.073 6.400 -8.375 1.00 10.00 C ATOM 1093 CG LYS A 71 -0.905 7.028 -9.378 1.00 10.00 C ATOM 1094 CD LYS A 71 -2.337 6.742 -8.914 1.00 10.00 C ATOM 1095 CE LYS A 71 -3.361 7.645 -9.614 1.00 10.00 C ATOM 1096 NZ LYS A 71 -4.659 7.623 -8.914 1.00 10.00 N ATOM 0 H LYS A 71 2.281 6.189 -6.856 1.00 10.00 H new ATOM 0 HA LYS A 71 1.686 6.413 -9.742 1.00 10.00 H new ATOM 0 HB2 LYS A 71 -0.063 5.319 -8.366 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -0.158 6.758 -7.372 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -0.738 8.103 -9.446 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -0.741 6.616 -10.374 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -2.580 5.698 -9.111 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -2.404 6.886 -7.836 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -2.983 8.667 -9.652 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -3.495 7.316 -10.645 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -5.376 8.102 -9.496 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -4.948 6.638 -8.750 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -4.570 8.114 -8.002 1.00 10.00 H new