USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 577 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 8 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 68 SER OG : rot 180:sc= -0.0512 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.275 USER MOD Single : A 20 THR OG1 : rot -6:sc= 1.15 USER MOD Single : A 22 HIS : no HD1:sc= -8.82! C(o=-8.8!,f=-19!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 156:sc= -0.0148 (180deg=-0.183) USER MOD Single : A 40 THR OG1 : rot 140:sc= -1.59! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 65 THR OG1 : rot 18:sc= 0.479 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 2 -8.532 7.980 0.096 1.00 0.00 N ATOM 14 CA ILE A 2 -7.170 7.656 0.606 1.00 0.00 C ATOM 15 C ILE A 2 -6.191 7.580 -0.567 1.00 0.00 C ATOM 16 O ILE A 2 -6.239 6.670 -1.371 1.00 0.00 O ATOM 17 CB ILE A 2 -7.203 6.310 1.330 1.00 0.00 C ATOM 18 CG1 ILE A 2 -8.462 6.230 2.198 1.00 0.00 C ATOM 19 CG2 ILE A 2 -5.965 6.175 2.217 1.00 0.00 C ATOM 20 CD1 ILE A 2 -8.703 4.778 2.616 1.00 0.00 C ATOM 0 HA ILE A 2 -6.848 8.433 1.299 1.00 0.00 H new ATOM 0 HB ILE A 2 -7.213 5.504 0.596 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -8.349 6.859 3.081 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -9.322 6.608 1.645 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.990 5.215 2.733 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.068 6.233 1.601 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.954 6.981 2.951 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -9.599 4.721 3.234 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -8.835 4.161 1.727 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -7.847 4.416 3.185 1.00 0.00 H new ATOM 32 N ASP A 3 -5.302 8.530 -0.673 1.00 0.00 N ATOM 33 CA ASP A 3 -4.321 8.510 -1.794 1.00 0.00 C ATOM 34 C ASP A 3 -3.351 7.342 -1.604 1.00 0.00 C ATOM 35 O ASP A 3 -3.098 6.907 -0.497 1.00 0.00 O ATOM 36 CB ASP A 3 -3.537 9.825 -1.809 1.00 0.00 C ATOM 37 CG ASP A 3 -2.720 9.917 -3.098 1.00 0.00 C ATOM 38 OD1 ASP A 3 -1.943 9.009 -3.350 1.00 0.00 O ATOM 39 OD2 ASP A 3 -2.882 10.893 -3.812 1.00 0.00 O ATOM 0 H ASP A 3 -5.213 9.318 -0.032 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.852 8.391 -2.738 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -4.222 10.670 -1.739 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.877 9.877 -0.943 1.00 0.00 H new ATOM 44 N ILE A 4 -2.808 6.829 -2.673 1.00 0.00 N ATOM 45 CA ILE A 4 -1.855 5.690 -2.552 1.00 0.00 C ATOM 46 C ILE A 4 -0.527 6.062 -3.214 1.00 0.00 C ATOM 47 O ILE A 4 -0.495 6.626 -4.290 1.00 0.00 O ATOM 48 CB ILE A 4 -2.443 4.460 -3.245 1.00 0.00 C ATOM 49 CG1 ILE A 4 -3.924 4.329 -2.881 1.00 0.00 C ATOM 50 CG2 ILE A 4 -1.694 3.208 -2.785 1.00 0.00 C ATOM 51 CD1 ILE A 4 -4.054 3.898 -1.419 1.00 0.00 C ATOM 0 H ILE A 4 -2.983 7.149 -3.625 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.685 5.468 -1.498 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.341 4.569 -4.325 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -4.433 5.280 -3.038 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.406 3.598 -3.531 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.113 2.331 -3.279 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.639 3.300 -3.043 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.796 3.099 -1.705 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.109 3.805 -1.160 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.559 2.937 -1.278 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.587 4.645 -0.777 1.00 0.00 H new ATOM 63 N LYS A 5 0.570 5.751 -2.579 1.00 0.00 N ATOM 64 CA LYS A 5 1.894 6.088 -3.173 1.00 0.00 C ATOM 65 C LYS A 5 2.892 4.971 -2.860 1.00 0.00 C ATOM 66 O LYS A 5 2.605 4.063 -2.106 1.00 0.00 O ATOM 67 CB LYS A 5 2.400 7.405 -2.579 1.00 0.00 C ATOM 68 CG LYS A 5 1.963 7.506 -1.116 1.00 0.00 C ATOM 69 CD LYS A 5 0.759 8.443 -1.006 1.00 0.00 C ATOM 70 CE LYS A 5 0.908 9.323 0.236 1.00 0.00 C ATOM 71 NZ LYS A 5 -0.013 8.835 1.303 1.00 0.00 N ATOM 0 H LYS A 5 0.606 5.279 -1.676 1.00 0.00 H new ATOM 0 HA LYS A 5 1.792 6.192 -4.253 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.487 7.454 -2.649 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.005 8.248 -3.147 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.705 6.518 -0.734 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.785 7.879 -0.505 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.686 9.065 -1.898 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.162 7.863 -0.945 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.938 9.299 0.591 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.680 10.360 -0.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.087 9.433 2.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.994 8.880 0.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.225 7.852 1.544 1.00 0.00 H new ATOM 85 N ALA A 6 4.063 5.031 -3.432 1.00 0.00 N ATOM 86 CA ALA A 6 5.077 3.972 -3.167 1.00 0.00 C ATOM 87 C ALA A 6 5.565 4.083 -1.720 1.00 0.00 C ATOM 88 O ALA A 6 5.443 5.124 -1.105 1.00 0.00 O ATOM 89 CB ALA A 6 6.262 4.150 -4.119 1.00 0.00 C ATOM 0 H ALA A 6 4.361 5.768 -4.071 1.00 0.00 H new ATOM 0 HA ALA A 6 4.628 2.992 -3.325 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.004 3.375 -3.925 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.916 4.071 -5.150 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.711 5.130 -3.961 1.00 0.00 H new ATOM 95 N PRO A 7 6.106 3.002 -1.220 1.00 0.00 N ATOM 96 CA PRO A 7 6.627 2.936 0.157 1.00 0.00 C ATOM 97 C PRO A 7 7.997 3.615 0.242 1.00 0.00 C ATOM 98 O PRO A 7 8.960 3.167 -0.346 1.00 0.00 O ATOM 99 CB PRO A 7 6.744 1.433 0.424 1.00 0.00 C ATOM 100 CG PRO A 7 6.832 0.748 -0.961 1.00 0.00 C ATOM 101 CD PRO A 7 6.248 1.743 -1.981 1.00 0.00 C ATOM 0 HA PRO A 7 5.991 3.444 0.882 1.00 0.00 H new ATOM 0 HB2 PRO A 7 7.628 1.213 1.023 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.882 1.070 0.983 1.00 0.00 H new ATOM 0 HG2 PRO A 7 7.865 0.502 -1.207 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.272 -0.187 -0.967 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.909 1.868 -2.838 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.288 1.400 -2.367 1.00 0.00 H new ATOM 109 N THR A 8 8.090 4.693 0.971 1.00 0.00 N ATOM 110 CA THR A 8 9.396 5.399 1.093 1.00 0.00 C ATOM 111 C THR A 8 10.502 4.380 1.376 1.00 0.00 C ATOM 112 O THR A 8 10.418 3.601 2.305 1.00 0.00 O ATOM 113 CB THR A 8 9.326 6.409 2.243 1.00 0.00 C ATOM 114 OG1 THR A 8 8.429 7.455 1.897 1.00 0.00 O ATOM 115 CG2 THR A 8 10.716 6.989 2.501 1.00 0.00 C ATOM 0 H THR A 8 7.318 5.115 1.487 1.00 0.00 H new ATOM 0 HA THR A 8 9.614 5.923 0.162 1.00 0.00 H new ATOM 0 HB THR A 8 8.972 5.910 3.145 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.381 8.101 2.632 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.664 7.707 3.319 1.00 0.00 H new ATOM 0 HG22 THR A 8 11.402 6.185 2.767 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.074 7.489 1.601 1.00 0.00 H new ATOM 123 N PHE A 9 11.538 4.381 0.583 1.00 0.00 N ATOM 124 CA PHE A 9 12.648 3.412 0.807 1.00 0.00 C ATOM 125 C PHE A 9 13.871 4.155 1.354 1.00 0.00 C ATOM 126 O PHE A 9 14.056 5.325 1.082 1.00 0.00 O ATOM 127 CB PHE A 9 13.011 2.734 -0.516 1.00 0.00 C ATOM 128 CG PHE A 9 12.842 3.717 -1.650 1.00 0.00 C ATOM 129 CD1 PHE A 9 13.726 4.796 -1.780 1.00 0.00 C ATOM 130 CD2 PHE A 9 11.800 3.550 -2.572 1.00 0.00 C ATOM 131 CE1 PHE A 9 13.568 5.708 -2.832 1.00 0.00 C ATOM 132 CE2 PHE A 9 11.643 4.462 -3.625 1.00 0.00 C ATOM 133 CZ PHE A 9 12.527 5.541 -3.754 1.00 0.00 C ATOM 0 H PHE A 9 11.664 5.010 -0.210 1.00 0.00 H new ATOM 0 HA PHE A 9 12.330 2.656 1.525 1.00 0.00 H new ATOM 0 HB2 PHE A 9 14.040 2.375 -0.482 1.00 0.00 H new ATOM 0 HB3 PHE A 9 12.375 1.864 -0.677 1.00 0.00 H new ATOM 0 HD1 PHE A 9 14.529 4.925 -1.070 1.00 0.00 H new ATOM 0 HD2 PHE A 9 11.118 2.719 -2.471 1.00 0.00 H new ATOM 0 HE1 PHE A 9 14.249 6.540 -2.932 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.841 4.333 -4.336 1.00 0.00 H new ATOM 0 HZ PHE A 9 12.406 6.244 -4.565 1.00 0.00 H new ATOM 143 N PRO A 10 14.671 3.448 2.110 1.00 0.00 N ATOM 144 CA PRO A 10 15.892 4.007 2.718 1.00 0.00 C ATOM 145 C PRO A 10 17.014 4.095 1.678 1.00 0.00 C ATOM 146 O PRO A 10 16.795 3.912 0.497 1.00 0.00 O ATOM 147 CB PRO A 10 16.241 2.999 3.814 1.00 0.00 C ATOM 148 CG PRO A 10 15.562 1.666 3.416 1.00 0.00 C ATOM 149 CD PRO A 10 14.433 2.025 2.432 1.00 0.00 C ATOM 0 HA PRO A 10 15.756 5.017 3.104 1.00 0.00 H new ATOM 0 HB2 PRO A 10 17.321 2.875 3.898 1.00 0.00 H new ATOM 0 HB3 PRO A 10 15.883 3.342 4.785 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.279 0.989 2.952 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.164 1.157 4.294 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.471 1.403 1.538 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.451 1.877 2.882 1.00 0.00 H new ATOM 157 N GLU A 11 18.213 4.374 2.109 1.00 0.00 N ATOM 158 CA GLU A 11 19.347 4.474 1.147 1.00 0.00 C ATOM 159 C GLU A 11 19.624 3.097 0.540 1.00 0.00 C ATOM 160 O GLU A 11 19.812 2.961 -0.653 1.00 0.00 O ATOM 161 CB GLU A 11 20.596 4.970 1.879 1.00 0.00 C ATOM 162 CG GLU A 11 20.835 6.443 1.541 1.00 0.00 C ATOM 163 CD GLU A 11 20.440 7.312 2.737 1.00 0.00 C ATOM 164 OE1 GLU A 11 20.469 6.805 3.846 1.00 0.00 O ATOM 165 OE2 GLU A 11 20.118 8.468 2.523 1.00 0.00 O ATOM 0 H GLU A 11 18.457 4.537 3.086 1.00 0.00 H new ATOM 0 HA GLU A 11 19.089 5.176 0.354 1.00 0.00 H new ATOM 0 HB2 GLU A 11 20.472 4.848 2.955 1.00 0.00 H new ATOM 0 HB3 GLU A 11 21.461 4.374 1.588 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.884 6.604 1.291 1.00 0.00 H new ATOM 0 HG3 GLU A 11 20.252 6.725 0.665 1.00 0.00 H new ATOM 172 N SER A 12 19.655 2.076 1.354 1.00 0.00 N ATOM 173 CA SER A 12 19.923 0.709 0.829 1.00 0.00 C ATOM 174 C SER A 12 19.137 0.494 -0.467 1.00 0.00 C ATOM 175 O SER A 12 19.606 -0.143 -1.390 1.00 0.00 O ATOM 176 CB SER A 12 19.488 -0.329 1.865 1.00 0.00 C ATOM 177 OG SER A 12 18.973 -1.472 1.195 1.00 0.00 O ATOM 0 H SER A 12 19.506 2.131 2.362 1.00 0.00 H new ATOM 0 HA SER A 12 20.989 0.601 0.629 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.334 -0.611 2.492 1.00 0.00 H new ATOM 0 HB3 SER A 12 18.729 0.093 2.524 1.00 0.00 H new ATOM 0 HG SER A 12 18.695 -2.140 1.855 1.00 0.00 H new ATOM 183 N ILE A 13 17.945 1.020 -0.544 1.00 0.00 N ATOM 184 CA ILE A 13 17.132 0.846 -1.780 1.00 0.00 C ATOM 185 C ILE A 13 16.928 2.206 -2.450 1.00 0.00 C ATOM 186 O ILE A 13 16.201 3.048 -1.960 1.00 0.00 O ATOM 187 CB ILE A 13 15.773 0.247 -1.415 1.00 0.00 C ATOM 188 CG1 ILE A 13 15.982 -0.999 -0.552 1.00 0.00 C ATOM 189 CG2 ILE A 13 15.025 -0.139 -2.693 1.00 0.00 C ATOM 190 CD1 ILE A 13 16.579 -2.119 -1.406 1.00 0.00 C ATOM 0 H ILE A 13 17.499 1.563 0.196 1.00 0.00 H new ATOM 0 HA ILE A 13 17.651 0.177 -2.467 1.00 0.00 H new ATOM 0 HB ILE A 13 15.189 0.982 -0.860 1.00 0.00 H new ATOM 0 HG12 ILE A 13 16.646 -0.770 0.281 1.00 0.00 H new ATOM 0 HG13 ILE A 13 15.033 -1.321 -0.124 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.056 -0.566 -2.433 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.877 0.747 -3.310 1.00 0.00 H new ATOM 0 HG23 ILE A 13 15.608 -0.874 -3.248 1.00 0.00 H new ATOM 0 HD11 ILE A 13 16.728 -3.006 -0.790 1.00 0.00 H new ATOM 0 HD12 ILE A 13 15.899 -2.355 -2.224 1.00 0.00 H new ATOM 0 HD13 ILE A 13 17.537 -1.795 -1.813 1.00 0.00 H new ATOM 202 N ALA A 14 17.564 2.429 -3.568 1.00 0.00 N ATOM 203 CA ALA A 14 17.406 3.736 -4.267 1.00 0.00 C ATOM 204 C ALA A 14 16.038 3.793 -4.949 1.00 0.00 C ATOM 205 O ALA A 14 15.679 4.781 -5.557 1.00 0.00 O ATOM 206 CB ALA A 14 18.507 3.886 -5.319 1.00 0.00 C ATOM 0 H ALA A 14 18.186 1.763 -4.027 1.00 0.00 H new ATOM 0 HA ALA A 14 17.481 4.546 -3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 14 18.393 4.841 -5.831 1.00 0.00 H new ATOM 0 HB2 ALA A 14 19.482 3.849 -4.833 1.00 0.00 H new ATOM 0 HB3 ALA A 14 18.431 3.075 -6.043 1.00 0.00 H new ATOM 212 N ASP A 15 15.269 2.742 -4.852 1.00 0.00 N ATOM 213 CA ASP A 15 13.924 2.741 -5.495 1.00 0.00 C ATOM 214 C ASP A 15 13.370 1.316 -5.519 1.00 0.00 C ATOM 215 O ASP A 15 13.951 0.404 -4.967 1.00 0.00 O ATOM 216 CB ASP A 15 14.042 3.264 -6.929 1.00 0.00 C ATOM 217 CG ASP A 15 15.392 2.849 -7.516 1.00 0.00 C ATOM 218 OD1 ASP A 15 15.856 1.773 -7.179 1.00 0.00 O ATOM 219 OD2 ASP A 15 15.937 3.614 -8.295 1.00 0.00 O ATOM 0 H ASP A 15 15.514 1.885 -4.356 1.00 0.00 H new ATOM 0 HA ASP A 15 13.251 3.384 -4.927 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.231 2.867 -7.540 1.00 0.00 H new ATOM 0 HB3 ASP A 15 13.947 4.350 -6.940 1.00 0.00 H new ATOM 224 N GLY A 16 12.248 1.118 -6.155 1.00 0.00 N ATOM 225 CA GLY A 16 11.655 -0.248 -6.214 1.00 0.00 C ATOM 226 C GLY A 16 10.979 -0.454 -7.571 1.00 0.00 C ATOM 227 O GLY A 16 11.185 0.303 -8.499 1.00 0.00 O ATOM 0 H GLY A 16 11.716 1.843 -6.636 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.431 -0.999 -6.065 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.929 -0.376 -5.411 1.00 0.00 H new ATOM 231 N THR A 17 10.174 -1.474 -7.694 1.00 0.00 N ATOM 232 CA THR A 17 9.486 -1.727 -8.992 1.00 0.00 C ATOM 233 C THR A 17 8.141 -2.407 -8.730 1.00 0.00 C ATOM 234 O THR A 17 8.062 -3.403 -8.039 1.00 0.00 O ATOM 235 CB THR A 17 10.357 -2.635 -9.863 1.00 0.00 C ATOM 236 OG1 THR A 17 11.726 -2.410 -9.557 1.00 0.00 O ATOM 237 CG2 THR A 17 10.104 -2.325 -11.339 1.00 0.00 C ATOM 0 H THR A 17 9.963 -2.142 -6.953 1.00 0.00 H new ATOM 0 HA THR A 17 9.321 -0.781 -9.507 1.00 0.00 H new ATOM 0 HB THR A 17 10.107 -3.677 -9.666 1.00 0.00 H new ATOM 0 HG1 THR A 17 12.285 -2.992 -10.113 1.00 0.00 H new ATOM 0 HG21 THR A 17 10.725 -2.972 -11.958 1.00 0.00 H new ATOM 0 HG22 THR A 17 9.053 -2.498 -11.572 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.353 -1.283 -11.540 1.00 0.00 H new ATOM 245 N VAL A 18 7.081 -1.878 -9.278 1.00 0.00 N ATOM 246 CA VAL A 18 5.742 -2.496 -9.060 1.00 0.00 C ATOM 247 C VAL A 18 5.851 -4.016 -9.201 1.00 0.00 C ATOM 248 O VAL A 18 6.776 -4.529 -9.797 1.00 0.00 O ATOM 249 CB VAL A 18 4.757 -1.957 -10.099 1.00 0.00 C ATOM 250 CG1 VAL A 18 3.375 -2.565 -9.856 1.00 0.00 C ATOM 251 CG2 VAL A 18 4.672 -0.433 -9.976 1.00 0.00 C ATOM 0 H VAL A 18 7.084 -1.045 -9.867 1.00 0.00 H new ATOM 0 HA VAL A 18 5.387 -2.249 -8.059 1.00 0.00 H new ATOM 0 HB VAL A 18 5.100 -2.224 -11.099 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.673 -2.181 -10.596 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.435 -3.650 -9.941 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.031 -2.298 -8.857 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.971 -0.047 -10.716 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.328 -0.167 -8.976 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.657 0.001 -10.148 1.00 0.00 H new ATOM 261 N ALA A 19 4.912 -4.740 -8.656 1.00 0.00 N ATOM 262 CA ALA A 19 4.962 -6.225 -8.759 1.00 0.00 C ATOM 263 C ALA A 19 3.818 -6.716 -9.649 1.00 0.00 C ATOM 264 O ALA A 19 4.031 -7.162 -10.759 1.00 0.00 O ATOM 265 CB ALA A 19 4.821 -6.838 -7.363 1.00 0.00 C ATOM 0 H ALA A 19 4.113 -4.367 -8.144 1.00 0.00 H new ATOM 0 HA ALA A 19 5.915 -6.526 -9.195 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.857 -7.925 -7.437 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.636 -6.490 -6.729 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.869 -6.536 -6.928 1.00 0.00 H new ATOM 271 N THR A 20 2.606 -6.637 -9.172 1.00 0.00 N ATOM 272 CA THR A 20 1.452 -7.099 -9.993 1.00 0.00 C ATOM 273 C THR A 20 0.164 -6.455 -9.476 1.00 0.00 C ATOM 274 O THR A 20 -0.098 -6.435 -8.290 1.00 0.00 O ATOM 275 CB THR A 20 1.334 -8.622 -9.893 1.00 0.00 C ATOM 276 OG1 THR A 20 2.423 -9.226 -10.580 1.00 0.00 O ATOM 277 CG2 THR A 20 0.017 -9.077 -10.521 1.00 0.00 C ATOM 0 H THR A 20 2.365 -6.273 -8.250 1.00 0.00 H new ATOM 0 HA THR A 20 1.609 -6.812 -11.033 1.00 0.00 H new ATOM 0 HB THR A 20 1.355 -8.920 -8.845 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.941 -8.535 -11.044 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.065 -10.162 -10.449 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.817 -8.614 -9.993 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.008 -8.780 -11.570 1.00 0.00 H new ATOM 285 N TRP A 21 -0.642 -5.930 -10.357 1.00 0.00 N ATOM 286 CA TRP A 21 -1.908 -5.290 -9.925 1.00 0.00 C ATOM 287 C TRP A 21 -3.026 -6.334 -9.903 1.00 0.00 C ATOM 288 O TRP A 21 -3.761 -6.488 -10.858 1.00 0.00 O ATOM 289 CB TRP A 21 -2.257 -4.186 -10.918 1.00 0.00 C ATOM 290 CG TRP A 21 -1.663 -2.893 -10.463 1.00 0.00 C ATOM 291 CD1 TRP A 21 -0.504 -2.362 -10.920 1.00 0.00 C ATOM 292 CD2 TRP A 21 -2.174 -1.957 -9.471 1.00 0.00 C ATOM 293 NE1 TRP A 21 -0.277 -1.162 -10.271 1.00 0.00 N ATOM 294 CE2 TRP A 21 -1.275 -0.871 -9.373 1.00 0.00 C ATOM 295 CE3 TRP A 21 -3.321 -1.945 -8.655 1.00 0.00 C ATOM 296 CZ2 TRP A 21 -1.498 0.187 -8.501 1.00 0.00 C ATOM 297 CZ3 TRP A 21 -3.554 -0.876 -7.771 1.00 0.00 C ATOM 298 CH2 TRP A 21 -2.641 0.189 -7.695 1.00 0.00 C ATOM 0 H TRP A 21 -0.474 -5.919 -11.363 1.00 0.00 H new ATOM 0 HA TRP A 21 -1.794 -4.870 -8.926 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.880 -4.442 -11.908 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.339 -4.090 -11.004 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.138 -2.803 -11.668 1.00 0.00 H new ATOM 0 HE1 TRP A 21 0.533 -0.565 -10.439 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -4.026 -2.761 -8.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -0.793 1.003 -8.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -4.437 -0.874 -7.149 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -2.822 1.008 -7.015 1.00 0.00 H new ATOM 309 N HIS A 22 -3.159 -7.053 -8.821 1.00 0.00 N ATOM 310 CA HIS A 22 -4.236 -8.094 -8.744 1.00 0.00 C ATOM 311 C HIS A 22 -5.531 -7.528 -9.330 1.00 0.00 C ATOM 312 O HIS A 22 -6.071 -8.049 -10.286 1.00 0.00 O ATOM 313 CB HIS A 22 -4.485 -8.507 -7.286 1.00 0.00 C ATOM 314 CG HIS A 22 -3.199 -8.433 -6.518 1.00 0.00 C ATOM 315 ND1 HIS A 22 -2.732 -7.242 -5.995 1.00 0.00 N ATOM 316 CD2 HIS A 22 -2.246 -9.375 -6.223 1.00 0.00 C ATOM 317 CE1 HIS A 22 -1.545 -7.488 -5.427 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.198 -8.773 -5.532 1.00 0.00 N ATOM 0 H HIS A 22 -2.574 -6.969 -7.989 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.916 -8.969 -9.311 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.229 -7.852 -6.833 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.886 -9.520 -7.247 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.300 -10.421 -6.486 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.940 -6.736 -4.942 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.349 -9.217 -5.182 1.00 0.00 H new ATOM 326 N LYS A 23 -6.036 -6.467 -8.763 1.00 0.00 N ATOM 327 CA LYS A 23 -7.296 -5.870 -9.288 1.00 0.00 C ATOM 328 C LYS A 23 -6.972 -4.585 -10.054 1.00 0.00 C ATOM 329 O LYS A 23 -5.968 -3.946 -9.815 1.00 0.00 O ATOM 330 CB LYS A 23 -8.231 -5.546 -8.122 1.00 0.00 C ATOM 331 CG LYS A 23 -9.308 -6.628 -8.013 1.00 0.00 C ATOM 332 CD LYS A 23 -8.980 -7.560 -6.846 1.00 0.00 C ATOM 333 CE LYS A 23 -10.010 -8.690 -6.789 1.00 0.00 C ATOM 334 NZ LYS A 23 -9.306 -9.999 -6.668 1.00 0.00 N ATOM 0 H LYS A 23 -5.631 -5.988 -7.959 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.782 -6.579 -9.958 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.664 -5.488 -7.193 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.694 -4.571 -8.274 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.285 -6.169 -7.862 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.363 -7.196 -8.942 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.978 -7.973 -6.967 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.984 -7.002 -5.909 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.678 -8.545 -5.940 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.628 -8.679 -7.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.006 -10.767 -6.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.686 -10.137 -7.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.735 -10.007 -5.799 1.00 0.00 H new ATOM 348 N LYS A 24 -7.816 -4.205 -10.974 1.00 0.00 N ATOM 349 CA LYS A 24 -7.557 -2.961 -11.754 1.00 0.00 C ATOM 350 C LYS A 24 -8.298 -1.788 -11.107 1.00 0.00 C ATOM 351 O LYS A 24 -9.144 -1.984 -10.257 1.00 0.00 O ATOM 352 CB LYS A 24 -8.055 -3.148 -13.189 1.00 0.00 C ATOM 353 CG LYS A 24 -6.859 -3.318 -14.127 1.00 0.00 C ATOM 354 CD LYS A 24 -7.339 -3.861 -15.475 1.00 0.00 C ATOM 355 CE LYS A 24 -6.373 -4.942 -15.965 1.00 0.00 C ATOM 356 NZ LYS A 24 -6.864 -5.497 -17.257 1.00 0.00 N ATOM 0 H LYS A 24 -8.673 -4.701 -11.219 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.487 -2.754 -11.763 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.704 -4.021 -13.249 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.650 -2.287 -13.494 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.355 -2.362 -14.267 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.132 -4.000 -13.686 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.343 -4.274 -15.376 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.397 -3.053 -16.204 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.375 -4.522 -16.093 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.292 -5.736 -15.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.208 -6.232 -17.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.808 -5.912 -17.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.919 -4.736 -17.963 1.00 0.00 H new ATOM 370 N PRO A 25 -7.954 -0.599 -11.531 1.00 0.00 N ATOM 371 CA PRO A 25 -8.568 0.637 -11.017 1.00 0.00 C ATOM 372 C PRO A 25 -9.959 0.837 -11.624 1.00 0.00 C ATOM 373 O PRO A 25 -10.098 1.213 -12.771 1.00 0.00 O ATOM 374 CB PRO A 25 -7.606 1.735 -11.479 1.00 0.00 C ATOM 375 CG PRO A 25 -6.828 1.154 -12.684 1.00 0.00 C ATOM 376 CD PRO A 25 -6.923 -0.379 -12.566 1.00 0.00 C ATOM 0 HA PRO A 25 -8.709 0.628 -9.936 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.151 2.634 -11.766 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.925 2.018 -10.676 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.257 1.498 -13.625 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.788 1.481 -12.669 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.207 -0.835 -13.515 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.968 -0.816 -12.276 1.00 0.00 H new ATOM 384 N GLY A 26 -10.990 0.585 -10.864 1.00 0.00 N ATOM 385 CA GLY A 26 -12.371 0.760 -11.398 1.00 0.00 C ATOM 386 C GLY A 26 -13.262 -0.375 -10.891 1.00 0.00 C ATOM 387 O GLY A 26 -14.466 -0.350 -11.052 1.00 0.00 O ATOM 0 H GLY A 26 -10.936 0.266 -9.897 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.775 1.722 -11.083 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.353 0.763 -12.488 1.00 0.00 H new ATOM 391 N GLU A 27 -12.681 -1.372 -10.280 1.00 0.00 N ATOM 392 CA GLU A 27 -13.497 -2.507 -9.764 1.00 0.00 C ATOM 393 C GLU A 27 -13.917 -2.220 -8.321 1.00 0.00 C ATOM 394 O GLU A 27 -13.709 -1.139 -7.807 1.00 0.00 O ATOM 395 CB GLU A 27 -12.668 -3.791 -9.808 1.00 0.00 C ATOM 396 CG GLU A 27 -12.443 -4.205 -11.264 1.00 0.00 C ATOM 397 CD GLU A 27 -13.587 -5.114 -11.719 1.00 0.00 C ATOM 398 OE1 GLU A 27 -14.586 -4.588 -12.180 1.00 0.00 O ATOM 399 OE2 GLU A 27 -13.443 -6.319 -11.599 1.00 0.00 O ATOM 0 H GLU A 27 -11.677 -1.449 -10.116 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.386 -2.626 -10.383 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.710 -3.635 -9.311 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.182 -4.586 -9.268 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.391 -3.322 -11.900 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.490 -4.725 -11.362 1.00 0.00 H new ATOM 406 N ALA A 28 -14.506 -3.181 -7.663 1.00 0.00 N ATOM 407 CA ALA A 28 -14.940 -2.963 -6.254 1.00 0.00 C ATOM 408 C ALA A 28 -13.937 -3.622 -5.305 1.00 0.00 C ATOM 409 O ALA A 28 -13.326 -4.621 -5.629 1.00 0.00 O ATOM 410 CB ALA A 28 -16.323 -3.581 -6.045 1.00 0.00 C ATOM 0 H ALA A 28 -14.705 -4.107 -8.040 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.986 -1.894 -6.049 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.641 -3.422 -5.015 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.037 -3.112 -6.722 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.278 -4.651 -6.250 1.00 0.00 H new ATOM 416 N VAL A 29 -13.766 -3.073 -4.134 1.00 0.00 N ATOM 417 CA VAL A 29 -12.804 -3.670 -3.164 1.00 0.00 C ATOM 418 C VAL A 29 -13.485 -3.828 -1.803 1.00 0.00 C ATOM 419 O VAL A 29 -14.504 -3.223 -1.534 1.00 0.00 O ATOM 420 CB VAL A 29 -11.588 -2.753 -3.023 1.00 0.00 C ATOM 421 CG1 VAL A 29 -10.416 -3.545 -2.441 1.00 0.00 C ATOM 422 CG2 VAL A 29 -11.200 -2.206 -4.399 1.00 0.00 C ATOM 0 H VAL A 29 -14.250 -2.237 -3.807 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.482 -4.647 -3.525 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.833 -1.925 -2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.549 -2.892 -2.341 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.692 -3.936 -1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.171 -4.373 -3.106 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.333 -1.552 -4.300 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -10.955 -3.034 -5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.035 -1.641 -4.815 1.00 0.00 H new ATOM 432 N LYS A 30 -12.930 -4.635 -0.941 1.00 0.00 N ATOM 433 CA LYS A 30 -13.546 -4.831 0.402 1.00 0.00 C ATOM 434 C LYS A 30 -12.465 -4.732 1.479 1.00 0.00 C ATOM 435 O LYS A 30 -11.350 -5.179 1.295 1.00 0.00 O ATOM 436 CB LYS A 30 -14.205 -6.210 0.465 1.00 0.00 C ATOM 437 CG LYS A 30 -15.265 -6.221 1.568 1.00 0.00 C ATOM 438 CD LYS A 30 -16.073 -7.517 1.487 1.00 0.00 C ATOM 439 CE LYS A 30 -17.562 -7.201 1.646 1.00 0.00 C ATOM 440 NZ LYS A 30 -18.058 -6.516 0.420 1.00 0.00 N ATOM 0 H LYS A 30 -12.076 -5.167 -1.109 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.299 -4.061 0.572 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.662 -6.450 -0.495 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.454 -6.975 0.661 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.789 -6.137 2.545 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.926 -5.361 1.460 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.895 -8.010 0.531 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.752 -8.208 2.267 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -18.124 -8.120 1.815 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -17.719 -6.567 2.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -19.084 -6.659 0.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.855 -5.498 0.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.582 -6.912 -0.416 1.00 0.00 H new ATOM 454 N ARG A 31 -12.785 -4.149 2.603 1.00 0.00 N ATOM 455 CA ARG A 31 -11.779 -4.017 3.691 1.00 0.00 C ATOM 456 C ARG A 31 -11.001 -5.327 3.832 1.00 0.00 C ATOM 457 O ARG A 31 -11.563 -6.403 3.787 1.00 0.00 O ATOM 458 CB ARG A 31 -12.492 -3.706 5.010 1.00 0.00 C ATOM 459 CG ARG A 31 -11.457 -3.520 6.120 1.00 0.00 C ATOM 460 CD ARG A 31 -12.170 -3.375 7.465 1.00 0.00 C ATOM 461 NE ARG A 31 -12.286 -4.711 8.113 1.00 0.00 N ATOM 462 CZ ARG A 31 -13.318 -5.471 7.862 1.00 0.00 C ATOM 463 NH1 ARG A 31 -14.399 -5.362 8.584 1.00 0.00 N ATOM 464 NH2 ARG A 31 -13.267 -6.340 6.890 1.00 0.00 N ATOM 0 H ARG A 31 -13.703 -3.758 2.813 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.089 -3.209 3.449 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -13.095 -2.804 4.906 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.174 -4.517 5.267 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.779 -4.373 6.146 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.850 -2.637 5.921 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.616 -2.693 8.110 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -13.160 -2.943 7.319 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.559 -5.032 8.753 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -14.438 -4.683 9.344 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -15.205 -5.955 8.388 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.421 -6.426 6.326 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -14.073 -6.934 6.694 1.00 0.00 H new ATOM 478 N ASP A 32 -9.709 -5.244 4.003 1.00 0.00 N ATOM 479 CA ASP A 32 -8.896 -6.485 4.146 1.00 0.00 C ATOM 480 C ASP A 32 -8.798 -7.191 2.792 1.00 0.00 C ATOM 481 O ASP A 32 -9.083 -8.366 2.672 1.00 0.00 O ATOM 482 CB ASP A 32 -9.562 -7.418 5.160 1.00 0.00 C ATOM 483 CG ASP A 32 -8.515 -8.366 5.746 1.00 0.00 C ATOM 484 OD1 ASP A 32 -7.351 -8.211 5.415 1.00 0.00 O ATOM 485 OD2 ASP A 32 -8.894 -9.232 6.517 1.00 0.00 O ATOM 0 H ASP A 32 -9.182 -4.372 4.050 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.896 -6.225 4.493 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.026 -6.835 5.956 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.356 -7.989 4.678 1.00 0.00 H new ATOM 490 N GLU A 33 -8.399 -6.483 1.771 1.00 0.00 N ATOM 491 CA GLU A 33 -8.284 -7.115 0.426 1.00 0.00 C ATOM 492 C GLU A 33 -7.044 -6.572 -0.287 1.00 0.00 C ATOM 493 O GLU A 33 -6.964 -5.403 -0.609 1.00 0.00 O ATOM 494 CB GLU A 33 -9.530 -6.789 -0.400 1.00 0.00 C ATOM 495 CG GLU A 33 -9.659 -7.790 -1.548 1.00 0.00 C ATOM 496 CD GLU A 33 -10.800 -8.765 -1.252 1.00 0.00 C ATOM 497 OE1 GLU A 33 -10.567 -9.719 -0.529 1.00 0.00 O ATOM 498 OE2 GLU A 33 -11.889 -8.541 -1.754 1.00 0.00 O ATOM 0 H GLU A 33 -8.148 -5.495 1.810 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.196 -8.196 0.539 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.418 -6.828 0.231 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.463 -5.775 -0.794 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.850 -7.264 -2.483 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.724 -8.336 -1.675 1.00 0.00 H new ATOM 505 N LEU A 34 -6.076 -7.412 -0.535 1.00 0.00 N ATOM 506 CA LEU A 34 -4.840 -6.949 -1.225 1.00 0.00 C ATOM 507 C LEU A 34 -5.215 -6.020 -2.381 1.00 0.00 C ATOM 508 O LEU A 34 -6.344 -5.999 -2.832 1.00 0.00 O ATOM 509 CB LEU A 34 -4.076 -8.158 -1.769 1.00 0.00 C ATOM 510 CG LEU A 34 -2.776 -7.688 -2.423 1.00 0.00 C ATOM 511 CD1 LEU A 34 -1.914 -6.968 -1.385 1.00 0.00 C ATOM 512 CD2 LEU A 34 -2.013 -8.900 -2.965 1.00 0.00 C ATOM 0 H LEU A 34 -6.089 -8.402 -0.288 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.211 -6.410 -0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.857 -8.857 -0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.689 -8.692 -2.495 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.006 -7.005 -3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.987 -6.633 -1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.457 -6.107 -0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.683 -7.651 -0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.086 -8.567 -3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.783 -9.581 -2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.627 -9.415 -3.704 1.00 0.00 H new ATOM 524 N ILE A 35 -4.279 -5.252 -2.866 1.00 0.00 N ATOM 525 CA ILE A 35 -4.584 -4.326 -3.993 1.00 0.00 C ATOM 526 C ILE A 35 -3.405 -4.300 -4.967 1.00 0.00 C ATOM 527 O ILE A 35 -3.581 -4.312 -6.169 1.00 0.00 O ATOM 528 CB ILE A 35 -4.824 -2.917 -3.446 1.00 0.00 C ATOM 529 CG1 ILE A 35 -5.595 -3.008 -2.127 1.00 0.00 C ATOM 530 CG2 ILE A 35 -5.639 -2.109 -4.457 1.00 0.00 C ATOM 531 CD1 ILE A 35 -5.915 -1.600 -1.625 1.00 0.00 C ATOM 0 H ILE A 35 -3.316 -5.225 -2.531 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.477 -4.671 -4.513 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.866 -2.425 -3.275 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.516 -3.573 -2.270 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.004 -3.545 -1.385 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.810 -1.105 -4.067 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.092 -2.045 -5.397 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.597 -2.600 -4.628 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.464 -1.665 -0.686 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.987 -1.051 -1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.522 -1.079 -2.365 1.00 0.00 H new ATOM 543 N VAL A 36 -2.205 -4.265 -4.458 1.00 0.00 N ATOM 544 CA VAL A 36 -1.016 -4.240 -5.356 1.00 0.00 C ATOM 545 C VAL A 36 0.214 -4.725 -4.588 1.00 0.00 C ATOM 546 O VAL A 36 0.404 -4.401 -3.432 1.00 0.00 O ATOM 547 CB VAL A 36 -0.782 -2.811 -5.851 1.00 0.00 C ATOM 548 CG1 VAL A 36 -0.308 -1.936 -4.688 1.00 0.00 C ATOM 549 CG2 VAL A 36 0.286 -2.820 -6.946 1.00 0.00 C ATOM 0 H VAL A 36 -1.996 -4.253 -3.460 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.190 -4.895 -6.210 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.713 -2.410 -6.251 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.142 -0.919 -5.042 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.067 -1.928 -3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.623 -2.337 -4.287 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.453 -1.803 -7.299 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.216 -3.222 -6.544 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.049 -3.442 -7.776 1.00 0.00 H new ATOM 559 N ASP A 37 1.052 -5.502 -5.219 1.00 0.00 N ATOM 560 CA ASP A 37 2.267 -6.009 -4.522 1.00 0.00 C ATOM 561 C ASP A 37 3.472 -5.146 -4.901 1.00 0.00 C ATOM 562 O ASP A 37 3.540 -4.600 -5.985 1.00 0.00 O ATOM 563 CB ASP A 37 2.527 -7.458 -4.939 1.00 0.00 C ATOM 564 CG ASP A 37 1.780 -8.403 -3.996 1.00 0.00 C ATOM 565 OD1 ASP A 37 1.792 -8.148 -2.803 1.00 0.00 O ATOM 566 OD2 ASP A 37 1.209 -9.365 -4.483 1.00 0.00 O ATOM 0 H ASP A 37 0.947 -5.807 -6.187 1.00 0.00 H new ATOM 0 HA ASP A 37 2.112 -5.963 -3.444 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.198 -7.617 -5.966 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.596 -7.669 -4.911 1.00 0.00 H new ATOM 571 N ILE A 38 4.423 -5.018 -4.017 1.00 0.00 N ATOM 572 CA ILE A 38 5.622 -4.190 -4.328 1.00 0.00 C ATOM 573 C ILE A 38 6.808 -5.107 -4.635 1.00 0.00 C ATOM 574 O ILE A 38 6.995 -6.129 -4.005 1.00 0.00 O ATOM 575 CB ILE A 38 5.958 -3.308 -3.124 1.00 0.00 C ATOM 576 CG1 ILE A 38 4.703 -2.554 -2.679 1.00 0.00 C ATOM 577 CG2 ILE A 38 7.044 -2.303 -3.514 1.00 0.00 C ATOM 578 CD1 ILE A 38 4.118 -1.790 -3.868 1.00 0.00 C ATOM 0 H ILE A 38 4.422 -5.451 -3.093 1.00 0.00 H new ATOM 0 HA ILE A 38 5.415 -3.560 -5.193 1.00 0.00 H new ATOM 0 HB ILE A 38 6.318 -3.932 -2.306 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.966 -3.254 -2.285 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.948 -1.862 -1.873 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.283 -1.675 -2.656 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.938 -2.839 -3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.685 -1.679 -4.332 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.224 -1.253 -3.551 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.855 -1.079 -4.242 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.858 -2.493 -4.659 1.00 0.00 H new ATOM 590 N GLU A 39 7.611 -4.750 -5.599 1.00 0.00 N ATOM 591 CA GLU A 39 8.784 -5.602 -5.946 1.00 0.00 C ATOM 592 C GLU A 39 10.057 -4.754 -5.919 1.00 0.00 C ATOM 593 O GLU A 39 10.424 -4.138 -6.901 1.00 0.00 O ATOM 594 CB GLU A 39 8.592 -6.190 -7.345 1.00 0.00 C ATOM 595 CG GLU A 39 8.879 -7.692 -7.313 1.00 0.00 C ATOM 596 CD GLU A 39 7.777 -8.439 -8.066 1.00 0.00 C ATOM 597 OE1 GLU A 39 7.790 -8.402 -9.286 1.00 0.00 O ATOM 598 OE2 GLU A 39 6.938 -9.035 -7.411 1.00 0.00 O ATOM 0 H GLU A 39 7.506 -3.906 -6.161 1.00 0.00 H new ATOM 0 HA GLU A 39 8.872 -6.411 -5.221 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.573 -6.011 -7.689 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.259 -5.697 -8.053 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.848 -7.897 -7.768 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.930 -8.041 -6.282 1.00 0.00 H new ATOM 605 N THR A 40 10.732 -4.715 -4.803 1.00 0.00 N ATOM 606 CA THR A 40 11.981 -3.906 -4.716 1.00 0.00 C ATOM 607 C THR A 40 13.172 -4.755 -5.164 1.00 0.00 C ATOM 608 O THR A 40 13.012 -5.865 -5.633 1.00 0.00 O ATOM 609 CB THR A 40 12.194 -3.451 -3.271 1.00 0.00 C ATOM 610 OG1 THR A 40 12.821 -4.492 -2.536 1.00 0.00 O ATOM 611 CG2 THR A 40 10.844 -3.117 -2.634 1.00 0.00 C ATOM 0 H THR A 40 10.473 -5.208 -3.948 1.00 0.00 H new ATOM 0 HA THR A 40 11.894 -3.033 -5.363 1.00 0.00 H new ATOM 0 HB THR A 40 12.828 -2.564 -3.259 1.00 0.00 H new ATOM 0 HG1 THR A 40 13.494 -4.109 -1.935 1.00 0.00 H new ATOM 0 HG21 THR A 40 10.998 -2.793 -1.605 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.363 -2.318 -3.198 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.208 -4.002 -2.645 1.00 0.00 H new ATOM 619 N ASP A 41 14.364 -4.241 -5.026 1.00 0.00 N ATOM 620 CA ASP A 41 15.565 -5.014 -5.444 1.00 0.00 C ATOM 621 C ASP A 41 15.422 -6.470 -4.993 1.00 0.00 C ATOM 622 O ASP A 41 15.396 -7.379 -5.799 1.00 0.00 O ATOM 623 CB ASP A 41 16.813 -4.403 -4.804 1.00 0.00 C ATOM 624 CG ASP A 41 18.013 -5.322 -5.046 1.00 0.00 C ATOM 625 OD1 ASP A 41 18.118 -5.851 -6.140 1.00 0.00 O ATOM 626 OD2 ASP A 41 18.806 -5.479 -4.133 1.00 0.00 O ATOM 0 H ASP A 41 14.557 -3.316 -4.641 1.00 0.00 H new ATOM 0 HA ASP A 41 15.657 -4.979 -6.529 1.00 0.00 H new ATOM 0 HB2 ASP A 41 17.006 -3.417 -5.227 1.00 0.00 H new ATOM 0 HB3 ASP A 41 16.656 -4.266 -3.734 1.00 0.00 H new ATOM 631 N LYS A 42 15.329 -6.698 -3.712 1.00 0.00 N ATOM 632 CA LYS A 42 15.187 -8.093 -3.211 1.00 0.00 C ATOM 633 C LYS A 42 14.217 -8.114 -2.029 1.00 0.00 C ATOM 634 O LYS A 42 14.358 -8.898 -1.111 1.00 0.00 O ATOM 635 CB LYS A 42 16.553 -8.615 -2.760 1.00 0.00 C ATOM 636 CG LYS A 42 17.326 -9.138 -3.972 1.00 0.00 C ATOM 637 CD LYS A 42 17.282 -10.666 -3.986 1.00 0.00 C ATOM 638 CE LYS A 42 17.089 -11.160 -5.421 1.00 0.00 C ATOM 639 NZ LYS A 42 15.640 -11.403 -5.671 1.00 0.00 N ATOM 0 H LYS A 42 15.345 -5.977 -2.990 1.00 0.00 H new ATOM 0 HA LYS A 42 14.801 -8.728 -4.009 1.00 0.00 H new ATOM 0 HB2 LYS A 42 17.116 -7.819 -2.273 1.00 0.00 H new ATOM 0 HB3 LYS A 42 16.426 -9.411 -2.026 1.00 0.00 H new ATOM 0 HG2 LYS A 42 16.893 -8.743 -4.891 1.00 0.00 H new ATOM 0 HG3 LYS A 42 18.360 -8.794 -3.933 1.00 0.00 H new ATOM 0 HD2 LYS A 42 18.206 -11.070 -3.572 1.00 0.00 H new ATOM 0 HD3 LYS A 42 16.468 -11.022 -3.355 1.00 0.00 H new ATOM 0 HE2 LYS A 42 17.472 -10.422 -6.126 1.00 0.00 H new ATOM 0 HE3 LYS A 42 17.656 -12.077 -5.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 15.508 -11.739 -6.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 15.289 -12.122 -5.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 15.111 -10.518 -5.535 1.00 0.00 H new ATOM 653 N VAL A 43 13.230 -7.259 -2.042 1.00 0.00 N ATOM 654 CA VAL A 43 12.253 -7.231 -0.919 1.00 0.00 C ATOM 655 C VAL A 43 10.830 -7.210 -1.482 1.00 0.00 C ATOM 656 O VAL A 43 10.392 -6.229 -2.050 1.00 0.00 O ATOM 657 CB VAL A 43 12.485 -5.979 -0.072 1.00 0.00 C ATOM 658 CG1 VAL A 43 11.712 -6.099 1.243 1.00 0.00 C ATOM 659 CG2 VAL A 43 13.979 -5.837 0.227 1.00 0.00 C ATOM 0 H VAL A 43 13.059 -6.579 -2.783 1.00 0.00 H new ATOM 0 HA VAL A 43 12.386 -8.118 -0.299 1.00 0.00 H new ATOM 0 HB VAL A 43 12.137 -5.102 -0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.878 -5.206 1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.648 -6.201 1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 43 12.059 -6.976 1.790 1.00 0.00 H new ATOM 0 HG21 VAL A 43 14.146 -4.945 0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 43 14.326 -6.715 0.773 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.531 -5.750 -0.709 1.00 0.00 H new ATOM 669 N VAL A 44 10.106 -8.284 -1.328 1.00 0.00 N ATOM 670 CA VAL A 44 8.712 -8.323 -1.855 1.00 0.00 C ATOM 671 C VAL A 44 7.737 -7.900 -0.754 1.00 0.00 C ATOM 672 O VAL A 44 7.740 -8.445 0.332 1.00 0.00 O ATOM 673 CB VAL A 44 8.380 -9.746 -2.311 1.00 0.00 C ATOM 674 CG1 VAL A 44 7.128 -9.722 -3.190 1.00 0.00 C ATOM 675 CG2 VAL A 44 9.554 -10.310 -3.114 1.00 0.00 C ATOM 0 H VAL A 44 10.418 -9.135 -0.861 1.00 0.00 H new ATOM 0 HA VAL A 44 8.624 -7.640 -2.700 1.00 0.00 H new ATOM 0 HB VAL A 44 8.199 -10.374 -1.438 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.892 -10.735 -3.515 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.291 -9.319 -2.620 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.308 -9.094 -4.063 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.319 -11.323 -3.439 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.734 -9.681 -3.986 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.447 -10.328 -2.489 1.00 0.00 H new ATOM 685 N MET A 45 6.905 -6.934 -1.025 1.00 0.00 N ATOM 686 CA MET A 45 5.931 -6.477 0.006 1.00 0.00 C ATOM 687 C MET A 45 4.511 -6.572 -0.556 1.00 0.00 C ATOM 688 O MET A 45 4.303 -7.001 -1.673 1.00 0.00 O ATOM 689 CB MET A 45 6.234 -5.026 0.387 1.00 0.00 C ATOM 690 CG MET A 45 7.376 -4.993 1.404 1.00 0.00 C ATOM 691 SD MET A 45 6.743 -4.430 3.004 1.00 0.00 S ATOM 692 CE MET A 45 7.087 -5.947 3.929 1.00 0.00 C ATOM 0 H MET A 45 6.857 -6.440 -1.916 1.00 0.00 H new ATOM 0 HA MET A 45 6.014 -7.109 0.890 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.507 -4.455 -0.501 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.345 -4.556 0.807 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.817 -5.985 1.504 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.166 -4.326 1.058 1.00 0.00 H new ATOM 0 HE1 MET A 45 6.770 -5.822 4.964 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.543 -6.778 3.480 1.00 0.00 H new ATOM 0 HE3 MET A 45 8.156 -6.156 3.900 1.00 0.00 H new ATOM 702 N GLU A 46 3.532 -6.175 0.210 1.00 0.00 N ATOM 703 CA GLU A 46 2.128 -6.242 -0.281 1.00 0.00 C ATOM 704 C GLU A 46 1.413 -4.925 0.031 1.00 0.00 C ATOM 705 O GLU A 46 1.780 -4.210 0.942 1.00 0.00 O ATOM 706 CB GLU A 46 1.399 -7.395 0.415 1.00 0.00 C ATOM 707 CG GLU A 46 2.195 -8.687 0.230 1.00 0.00 C ATOM 708 CD GLU A 46 2.349 -9.389 1.581 1.00 0.00 C ATOM 709 OE1 GLU A 46 1.335 -9.685 2.192 1.00 0.00 O ATOM 710 OE2 GLU A 46 3.478 -9.621 1.981 1.00 0.00 O ATOM 0 H GLU A 46 3.644 -5.807 1.155 1.00 0.00 H new ATOM 0 HA GLU A 46 2.128 -6.408 -1.358 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.281 -7.177 1.476 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.398 -7.510 -0.000 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.686 -9.342 -0.477 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.176 -8.465 -0.191 1.00 0.00 H new ATOM 717 N VAL A 47 0.397 -4.600 -0.719 1.00 0.00 N ATOM 718 CA VAL A 47 -0.339 -3.329 -0.465 1.00 0.00 C ATOM 719 C VAL A 47 -1.833 -3.626 -0.316 1.00 0.00 C ATOM 720 O VAL A 47 -2.548 -3.764 -1.288 1.00 0.00 O ATOM 721 CB VAL A 47 -0.124 -2.371 -1.639 1.00 0.00 C ATOM 722 CG1 VAL A 47 -0.758 -1.017 -1.316 1.00 0.00 C ATOM 723 CG2 VAL A 47 1.376 -2.188 -1.877 1.00 0.00 C ATOM 0 H VAL A 47 0.044 -5.159 -1.496 1.00 0.00 H new ATOM 0 HA VAL A 47 0.034 -2.870 0.451 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.588 -2.784 -2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.605 -0.335 -2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.827 -1.147 -1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.295 -0.603 -0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.531 -1.506 -2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.839 -1.775 -0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.828 -3.153 -2.107 1.00 0.00 H new ATOM 733 N LEU A 48 -2.309 -3.726 0.895 1.00 0.00 N ATOM 734 CA LEU A 48 -3.756 -4.015 1.104 1.00 0.00 C ATOM 735 C LEU A 48 -4.458 -2.755 1.615 1.00 0.00 C ATOM 736 O LEU A 48 -3.862 -1.920 2.266 1.00 0.00 O ATOM 737 CB LEU A 48 -3.909 -5.137 2.134 1.00 0.00 C ATOM 738 CG LEU A 48 -5.361 -5.614 2.158 1.00 0.00 C ATOM 739 CD1 LEU A 48 -5.398 -7.142 2.104 1.00 0.00 C ATOM 740 CD2 LEU A 48 -6.035 -5.134 3.445 1.00 0.00 C ATOM 0 H LEU A 48 -1.759 -3.620 1.748 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.205 -4.325 0.160 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.247 -5.966 1.885 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.616 -4.781 3.122 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.890 -5.207 1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.434 -7.482 2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.919 -7.485 1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.868 -7.549 2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.070 -5.474 3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.505 -5.540 4.307 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.010 -4.045 3.484 1.00 0.00 H new ATOM 752 N ALA A 49 -5.723 -2.611 1.326 1.00 0.00 N ATOM 753 CA ALA A 49 -6.462 -1.406 1.795 1.00 0.00 C ATOM 754 C ALA A 49 -6.939 -1.627 3.232 1.00 0.00 C ATOM 755 O ALA A 49 -7.013 -2.743 3.707 1.00 0.00 O ATOM 756 CB ALA A 49 -7.670 -1.163 0.890 1.00 0.00 C ATOM 0 H ALA A 49 -6.276 -3.276 0.785 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.802 -0.540 1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.211 -0.281 1.234 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.332 -1.005 -0.134 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.330 -2.029 0.924 1.00 0.00 H new ATOM 762 N GLU A 50 -7.263 -0.572 3.930 1.00 0.00 N ATOM 763 CA GLU A 50 -7.734 -0.724 5.335 1.00 0.00 C ATOM 764 C GLU A 50 -9.252 -0.538 5.385 1.00 0.00 C ATOM 765 O GLU A 50 -9.823 -0.299 6.431 1.00 0.00 O ATOM 766 CB GLU A 50 -7.061 0.331 6.215 1.00 0.00 C ATOM 767 CG GLU A 50 -6.222 -0.361 7.291 1.00 0.00 C ATOM 768 CD GLU A 50 -6.205 0.497 8.557 1.00 0.00 C ATOM 769 OE1 GLU A 50 -6.325 1.705 8.431 1.00 0.00 O ATOM 770 OE2 GLU A 50 -6.072 -0.068 9.630 1.00 0.00 O ATOM 0 H GLU A 50 -7.222 0.388 3.587 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.477 -1.718 5.700 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.429 0.978 5.607 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.815 0.967 6.680 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.635 -1.345 7.512 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.205 -0.516 6.930 1.00 0.00 H new ATOM 777 N ALA A 51 -9.909 -0.646 4.264 1.00 0.00 N ATOM 778 CA ALA A 51 -11.390 -0.474 4.249 1.00 0.00 C ATOM 779 C ALA A 51 -11.914 -0.684 2.827 1.00 0.00 C ATOM 780 O ALA A 51 -11.154 -0.836 1.891 1.00 0.00 O ATOM 781 CB ALA A 51 -11.746 0.937 4.721 1.00 0.00 C ATOM 0 H ALA A 51 -9.486 -0.846 3.358 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.847 -1.205 4.916 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.829 1.062 4.710 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -11.374 1.086 5.735 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.289 1.669 4.055 1.00 0.00 H new ATOM 787 N ASP A 52 -13.208 -0.693 2.656 1.00 0.00 N ATOM 788 CA ASP A 52 -13.779 -0.892 1.295 1.00 0.00 C ATOM 789 C ASP A 52 -13.667 0.414 0.503 1.00 0.00 C ATOM 790 O ASP A 52 -13.325 1.452 1.034 1.00 0.00 O ATOM 791 CB ASP A 52 -15.249 -1.331 1.422 1.00 0.00 C ATOM 792 CG ASP A 52 -16.077 -0.851 0.223 1.00 0.00 C ATOM 793 OD1 ASP A 52 -16.552 0.273 0.268 1.00 0.00 O ATOM 794 OD2 ASP A 52 -16.221 -1.615 -0.717 1.00 0.00 O ATOM 0 H ASP A 52 -13.894 -0.571 3.401 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.227 -1.668 0.765 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.302 -2.417 1.492 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.672 -0.931 2.343 1.00 0.00 H new ATOM 799 N GLY A 53 -13.954 0.362 -0.766 1.00 0.00 N ATOM 800 CA GLY A 53 -13.870 1.591 -1.604 1.00 0.00 C ATOM 801 C GLY A 53 -13.578 1.201 -3.055 1.00 0.00 C ATOM 802 O GLY A 53 -13.361 0.046 -3.365 1.00 0.00 O ATOM 0 H GLY A 53 -14.244 -0.481 -1.262 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.806 2.147 -1.547 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.085 2.247 -1.228 1.00 0.00 H new ATOM 806 N VAL A 54 -13.571 2.155 -3.945 1.00 0.00 N ATOM 807 CA VAL A 54 -13.293 1.838 -5.374 1.00 0.00 C ATOM 808 C VAL A 54 -12.074 2.635 -5.845 1.00 0.00 C ATOM 809 O VAL A 54 -12.034 3.844 -5.742 1.00 0.00 O ATOM 810 CB VAL A 54 -14.507 2.213 -6.226 1.00 0.00 C ATOM 811 CG1 VAL A 54 -14.128 2.170 -7.707 1.00 0.00 C ATOM 812 CG2 VAL A 54 -15.639 1.216 -5.963 1.00 0.00 C ATOM 0 H VAL A 54 -13.746 3.140 -3.744 1.00 0.00 H new ATOM 0 HA VAL A 54 -13.093 0.772 -5.477 1.00 0.00 H new ATOM 0 HB VAL A 54 -14.836 3.219 -5.965 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -14.994 2.437 -8.312 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.321 2.877 -7.897 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -13.799 1.165 -7.969 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.505 1.481 -6.569 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.307 0.211 -6.224 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -15.912 1.245 -4.908 1.00 0.00 H new ATOM 822 N ILE A 55 -11.080 1.966 -6.364 1.00 0.00 N ATOM 823 CA ILE A 55 -9.867 2.684 -6.840 1.00 0.00 C ATOM 824 C ILE A 55 -10.264 3.706 -7.907 1.00 0.00 C ATOM 825 O ILE A 55 -11.334 3.635 -8.481 1.00 0.00 O ATOM 826 CB ILE A 55 -8.884 1.677 -7.439 1.00 0.00 C ATOM 827 CG1 ILE A 55 -8.568 0.597 -6.399 1.00 0.00 C ATOM 828 CG2 ILE A 55 -7.594 2.396 -7.841 1.00 0.00 C ATOM 829 CD1 ILE A 55 -7.649 1.174 -5.320 1.00 0.00 C ATOM 0 H ILE A 55 -11.057 0.953 -6.478 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.397 3.199 -6.002 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.328 1.215 -8.321 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.491 0.232 -5.948 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.089 -0.256 -6.880 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.895 1.677 -8.268 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.821 3.164 -8.580 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.147 2.860 -6.962 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.426 0.404 -4.582 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.721 1.517 -5.778 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.144 2.013 -4.831 1.00 0.00 H new ATOM 841 N ALA A 56 -9.412 4.655 -8.181 1.00 0.00 N ATOM 842 CA ALA A 56 -9.742 5.680 -9.210 1.00 0.00 C ATOM 843 C ALA A 56 -9.012 5.346 -10.513 1.00 0.00 C ATOM 844 O ALA A 56 -9.622 5.003 -11.507 1.00 0.00 O ATOM 845 CB ALA A 56 -9.300 7.059 -8.718 1.00 0.00 C ATOM 0 H ALA A 56 -8.501 4.765 -7.736 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.818 5.685 -9.386 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.542 7.809 -9.471 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.819 7.297 -7.789 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.224 7.055 -8.542 1.00 0.00 H new ATOM 851 N GLU A 57 -7.711 5.443 -10.517 1.00 0.00 N ATOM 852 CA GLU A 57 -6.944 5.131 -11.757 1.00 0.00 C ATOM 853 C GLU A 57 -5.475 4.893 -11.401 1.00 0.00 C ATOM 854 O GLU A 57 -4.883 5.633 -10.642 1.00 0.00 O ATOM 855 CB GLU A 57 -7.050 6.306 -12.731 1.00 0.00 C ATOM 856 CG GLU A 57 -8.204 6.058 -13.706 1.00 0.00 C ATOM 857 CD GLU A 57 -7.843 6.626 -15.080 1.00 0.00 C ATOM 858 OE1 GLU A 57 -6.725 6.404 -15.515 1.00 0.00 O ATOM 859 OE2 GLU A 57 -8.691 7.273 -15.672 1.00 0.00 O ATOM 0 H GLU A 57 -7.146 5.725 -9.716 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.354 4.235 -12.223 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.216 7.233 -12.182 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.115 6.423 -13.279 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.405 4.990 -13.784 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.115 6.527 -13.335 1.00 0.00 H new ATOM 866 N ILE A 58 -4.881 3.867 -11.946 1.00 0.00 N ATOM 867 CA ILE A 58 -3.451 3.583 -11.641 1.00 0.00 C ATOM 868 C ILE A 58 -2.565 4.245 -12.697 1.00 0.00 C ATOM 869 O ILE A 58 -2.690 3.986 -13.877 1.00 0.00 O ATOM 870 CB ILE A 58 -3.216 2.072 -11.651 1.00 0.00 C ATOM 871 CG1 ILE A 58 -4.095 1.411 -10.587 1.00 0.00 C ATOM 872 CG2 ILE A 58 -1.745 1.781 -11.347 1.00 0.00 C ATOM 873 CD1 ILE A 58 -3.924 2.145 -9.256 1.00 0.00 C ATOM 0 H ILE A 58 -5.325 3.213 -12.590 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.203 3.981 -10.657 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.470 1.673 -12.633 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.140 1.436 -10.897 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.821 0.362 -10.474 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.578 0.704 -11.354 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.117 2.251 -12.104 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.490 2.181 -10.366 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.550 1.674 -8.498 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.880 2.097 -8.946 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.220 3.187 -9.375 1.00 0.00 H new ATOM 885 N VAL A 59 -1.668 5.099 -12.283 1.00 0.00 N ATOM 886 CA VAL A 59 -0.775 5.775 -13.265 1.00 0.00 C ATOM 887 C VAL A 59 0.488 4.936 -13.469 1.00 0.00 C ATOM 888 O VAL A 59 1.226 5.126 -14.414 1.00 0.00 O ATOM 889 CB VAL A 59 -0.388 7.157 -12.736 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.274 7.965 -13.853 1.00 0.00 C ATOM 891 CG2 VAL A 59 -1.644 7.887 -12.254 1.00 0.00 C ATOM 0 H VAL A 59 -1.516 5.357 -11.308 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.297 5.883 -14.216 1.00 0.00 H new ATOM 0 HB VAL A 59 0.310 7.046 -11.906 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.550 8.950 -13.476 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.168 7.445 -14.197 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.423 8.077 -14.683 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.370 8.872 -11.877 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.342 7.998 -13.084 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.116 7.312 -11.458 1.00 0.00 H new ATOM 901 N LYS A 60 0.742 4.006 -12.587 1.00 0.00 N ATOM 902 CA LYS A 60 1.957 3.156 -12.730 1.00 0.00 C ATOM 903 C LYS A 60 1.540 1.728 -13.091 1.00 0.00 C ATOM 904 O LYS A 60 0.748 1.111 -12.407 1.00 0.00 O ATOM 905 CB LYS A 60 2.730 3.145 -11.410 1.00 0.00 C ATOM 906 CG LYS A 60 4.126 3.727 -11.631 1.00 0.00 C ATOM 907 CD LYS A 60 4.047 5.255 -11.649 1.00 0.00 C ATOM 908 CE LYS A 60 5.145 5.814 -12.555 1.00 0.00 C ATOM 909 NZ LYS A 60 4.731 7.150 -13.071 1.00 0.00 N ATOM 0 H LYS A 60 0.160 3.799 -11.775 1.00 0.00 H new ATOM 0 HA LYS A 60 2.592 3.559 -13.519 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.196 3.728 -10.659 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.805 2.127 -11.029 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.798 3.397 -10.839 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.538 3.363 -12.572 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.068 5.575 -12.007 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.160 5.647 -10.638 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.080 5.900 -12.001 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.328 5.132 -13.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.477 7.531 -13.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.849 7.054 -13.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.577 7.798 -12.272 1.00 0.00 H new ATOM 923 N ASN A 61 2.066 1.199 -14.161 1.00 0.00 N ATOM 924 CA ASN A 61 1.699 -0.188 -14.564 1.00 0.00 C ATOM 925 C ASN A 61 2.707 -1.176 -13.971 1.00 0.00 C ATOM 926 O ASN A 61 3.697 -0.789 -13.383 1.00 0.00 O ATOM 927 CB ASN A 61 1.716 -0.297 -16.090 1.00 0.00 C ATOM 928 CG ASN A 61 0.598 0.568 -16.676 1.00 0.00 C ATOM 929 OD1 ASN A 61 -0.566 0.318 -16.436 1.00 0.00 O ATOM 930 ND2 ASN A 61 0.905 1.580 -17.439 1.00 0.00 N ATOM 0 H ASN A 61 2.734 1.667 -14.774 1.00 0.00 H new ATOM 0 HA ASN A 61 0.701 -0.421 -14.194 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.682 0.027 -16.478 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.583 -1.336 -16.393 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.167 2.163 -17.835 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.883 1.789 -17.640 1.00 0.00 H new ATOM 937 N GLU A 62 2.461 -2.448 -14.120 1.00 0.00 N ATOM 938 CA GLU A 62 3.405 -3.459 -13.566 1.00 0.00 C ATOM 939 C GLU A 62 4.710 -3.432 -14.363 1.00 0.00 C ATOM 940 O GLU A 62 4.719 -3.161 -15.547 1.00 0.00 O ATOM 941 CB GLU A 62 2.777 -4.851 -13.662 1.00 0.00 C ATOM 942 CG GLU A 62 1.369 -4.820 -13.062 1.00 0.00 C ATOM 943 CD GLU A 62 0.645 -6.126 -13.390 1.00 0.00 C ATOM 944 OE1 GLU A 62 1.249 -7.173 -13.225 1.00 0.00 O ATOM 945 OE2 GLU A 62 -0.501 -6.058 -13.801 1.00 0.00 O ATOM 0 H GLU A 62 1.647 -2.831 -14.601 1.00 0.00 H new ATOM 0 HA GLU A 62 3.613 -3.226 -12.522 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.733 -5.170 -14.703 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.394 -5.577 -13.132 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.426 -4.685 -11.982 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.811 -3.973 -13.461 1.00 0.00 H new ATOM 952 N GLY A 63 5.813 -3.712 -13.724 1.00 0.00 N ATOM 953 CA GLY A 63 7.116 -3.702 -14.448 1.00 0.00 C ATOM 954 C GLY A 63 7.704 -2.289 -14.425 1.00 0.00 C ATOM 955 O GLY A 63 8.834 -2.071 -14.815 1.00 0.00 O ATOM 0 H GLY A 63 5.868 -3.947 -12.733 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.808 -4.403 -13.981 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.974 -4.031 -15.477 1.00 0.00 H new ATOM 959 N ASP A 64 6.948 -1.327 -13.971 1.00 0.00 N ATOM 960 CA ASP A 64 7.465 0.069 -13.926 1.00 0.00 C ATOM 961 C ASP A 64 8.266 0.271 -12.637 1.00 0.00 C ATOM 962 O ASP A 64 8.273 -0.565 -11.755 1.00 0.00 O ATOM 963 CB ASP A 64 6.280 1.049 -13.993 1.00 0.00 C ATOM 964 CG ASP A 64 6.591 2.348 -13.239 1.00 0.00 C ATOM 965 OD1 ASP A 64 6.308 2.404 -12.053 1.00 0.00 O ATOM 966 OD2 ASP A 64 7.107 3.262 -13.861 1.00 0.00 O ATOM 0 H ASP A 64 5.995 -1.448 -13.629 1.00 0.00 H new ATOM 0 HA ASP A 64 8.122 0.256 -14.776 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.051 1.276 -15.034 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.393 0.581 -13.566 1.00 0.00 H new ATOM 971 N THR A 65 8.940 1.380 -12.529 1.00 0.00 N ATOM 972 CA THR A 65 9.746 1.653 -11.306 1.00 0.00 C ATOM 973 C THR A 65 8.967 2.590 -10.380 1.00 0.00 C ATOM 974 O THR A 65 8.068 3.289 -10.801 1.00 0.00 O ATOM 975 CB THR A 65 11.069 2.309 -11.706 1.00 0.00 C ATOM 976 OG1 THR A 65 11.957 2.294 -10.597 1.00 0.00 O ATOM 977 CG2 THR A 65 10.816 3.754 -12.141 1.00 0.00 C ATOM 0 H THR A 65 8.968 2.113 -13.238 1.00 0.00 H new ATOM 0 HA THR A 65 9.948 0.717 -10.785 1.00 0.00 H new ATOM 0 HB THR A 65 11.512 1.757 -12.535 1.00 0.00 H new ATOM 0 HG1 THR A 65 11.646 1.639 -9.938 1.00 0.00 H new ATOM 0 HG21 THR A 65 11.760 4.219 -12.425 1.00 0.00 H new ATOM 0 HG22 THR A 65 10.136 3.764 -12.993 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.372 4.310 -11.315 1.00 0.00 H new ATOM 985 N VAL A 66 9.307 2.611 -9.120 1.00 0.00 N ATOM 986 CA VAL A 66 8.587 3.503 -8.169 1.00 0.00 C ATOM 987 C VAL A 66 9.588 4.443 -7.495 1.00 0.00 C ATOM 988 O VAL A 66 10.776 4.190 -7.474 1.00 0.00 O ATOM 989 CB VAL A 66 7.885 2.656 -7.106 1.00 0.00 C ATOM 990 CG1 VAL A 66 6.903 1.698 -7.781 1.00 0.00 C ATOM 991 CG2 VAL A 66 8.928 1.851 -6.327 1.00 0.00 C ATOM 0 H VAL A 66 10.052 2.049 -8.709 1.00 0.00 H new ATOM 0 HA VAL A 66 7.846 4.090 -8.711 1.00 0.00 H new ATOM 0 HB VAL A 66 7.342 3.309 -6.422 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.403 1.095 -7.023 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.160 2.270 -8.337 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.444 1.045 -8.465 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.429 1.247 -5.569 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.470 1.199 -7.012 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.628 2.533 -5.845 1.00 0.00 H new ATOM 1001 N LEU A 67 9.118 5.529 -6.942 1.00 0.00 N ATOM 1002 CA LEU A 67 10.044 6.483 -6.270 1.00 0.00 C ATOM 1003 C LEU A 67 9.574 6.725 -4.834 1.00 0.00 C ATOM 1004 O LEU A 67 8.531 6.255 -4.424 1.00 0.00 O ATOM 1005 CB LEU A 67 10.052 7.810 -7.034 1.00 0.00 C ATOM 1006 CG LEU A 67 11.361 8.550 -6.758 1.00 0.00 C ATOM 1007 CD1 LEU A 67 11.974 9.014 -8.079 1.00 0.00 C ATOM 1008 CD2 LEU A 67 11.079 9.768 -5.873 1.00 0.00 C ATOM 0 H LEU A 67 8.134 5.796 -6.927 1.00 0.00 H new ATOM 0 HA LEU A 67 11.050 6.064 -6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.944 7.627 -8.103 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.204 8.423 -6.728 1.00 0.00 H new ATOM 0 HG LEU A 67 12.056 7.882 -6.250 1.00 0.00 H new ATOM 0 HD11 LEU A 67 12.907 9.542 -7.882 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.173 8.149 -8.712 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.280 9.683 -8.587 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.011 10.297 -5.675 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.384 10.435 -6.383 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.641 9.439 -4.931 1.00 0.00 H new ATOM 1020 N SER A 68 10.336 7.454 -4.066 1.00 0.00 N ATOM 1021 CA SER A 68 9.933 7.724 -2.657 1.00 0.00 C ATOM 1022 C SER A 68 8.772 8.720 -2.640 1.00 0.00 C ATOM 1023 O SER A 68 8.966 9.913 -2.519 1.00 0.00 O ATOM 1024 CB SER A 68 11.120 8.312 -1.892 1.00 0.00 C ATOM 1025 OG SER A 68 10.706 8.659 -0.578 1.00 0.00 O ATOM 0 H SER A 68 11.220 7.874 -4.353 1.00 0.00 H new ATOM 0 HA SER A 68 9.620 6.793 -2.184 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.935 7.589 -1.850 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.501 9.192 -2.410 1.00 0.00 H new ATOM 0 HG SER A 68 11.465 9.035 -0.084 1.00 0.00 H new ATOM 1031 N GLY A 69 7.564 8.239 -2.762 1.00 0.00 N ATOM 1032 CA GLY A 69 6.392 9.160 -2.754 1.00 0.00 C ATOM 1033 C GLY A 69 5.791 9.236 -4.159 1.00 0.00 C ATOM 1034 O GLY A 69 5.117 10.186 -4.504 1.00 0.00 O ATOM 0 H GLY A 69 7.339 7.250 -2.867 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.643 8.806 -2.046 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.699 10.153 -2.424 1.00 0.00 H new ATOM 1038 N GLU A 70 6.030 8.244 -4.971 1.00 0.00 N ATOM 1039 CA GLU A 70 5.473 8.261 -6.353 1.00 0.00 C ATOM 1040 C GLU A 70 3.995 7.865 -6.312 1.00 0.00 C ATOM 1041 O GLU A 70 3.647 6.771 -5.914 1.00 0.00 O ATOM 1042 CB GLU A 70 6.243 7.268 -7.226 1.00 0.00 C ATOM 1043 CG GLU A 70 5.766 7.387 -8.675 1.00 0.00 C ATOM 1044 CD GLU A 70 6.455 8.578 -9.344 1.00 0.00 C ATOM 1045 OE1 GLU A 70 7.668 8.668 -9.245 1.00 0.00 O ATOM 1046 OE2 GLU A 70 5.758 9.379 -9.943 1.00 0.00 O ATOM 0 H GLU A 70 6.587 7.422 -4.738 1.00 0.00 H new ATOM 0 HA GLU A 70 5.570 9.263 -6.771 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.313 7.468 -7.166 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.088 6.252 -6.863 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.992 6.470 -9.220 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.684 7.517 -8.703 1.00 0.00 H new ATOM 1053 N LEU A 71 3.124 8.746 -6.719 1.00 0.00 N ATOM 1054 CA LEU A 71 1.670 8.419 -6.703 1.00 0.00 C ATOM 1055 C LEU A 71 1.389 7.296 -7.705 1.00 0.00 C ATOM 1056 O LEU A 71 1.818 7.344 -8.841 1.00 0.00 O ATOM 1057 CB LEU A 71 0.863 9.660 -7.088 1.00 0.00 C ATOM 1058 CG LEU A 71 -0.624 9.307 -7.139 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -1.449 10.498 -6.647 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -1.020 8.976 -8.580 1.00 0.00 C ATOM 0 H LEU A 71 3.356 9.678 -7.062 1.00 0.00 H new ATOM 0 HA LEU A 71 1.382 8.095 -5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.034 10.457 -6.364 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.192 10.034 -8.057 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.814 8.444 -6.501 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.509 10.246 -6.683 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.168 10.737 -5.621 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.259 11.361 -7.285 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.080 8.724 -8.617 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.829 9.840 -9.217 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.433 8.128 -8.933 1.00 0.00 H new ATOM 1072 N LEU A 72 0.671 6.287 -7.294 1.00 0.00 N ATOM 1073 CA LEU A 72 0.364 5.164 -8.224 1.00 0.00 C ATOM 1074 C LEU A 72 -1.144 5.103 -8.470 1.00 0.00 C ATOM 1075 O LEU A 72 -1.610 4.435 -9.371 1.00 0.00 O ATOM 1076 CB LEU A 72 0.833 3.846 -7.604 1.00 0.00 C ATOM 1077 CG LEU A 72 2.302 3.969 -7.196 1.00 0.00 C ATOM 1078 CD1 LEU A 72 2.560 3.117 -5.952 1.00 0.00 C ATOM 1079 CD2 LEU A 72 3.191 3.477 -8.341 1.00 0.00 C ATOM 0 H LEU A 72 0.284 6.192 -6.355 1.00 0.00 H new ATOM 0 HA LEU A 72 0.880 5.325 -9.170 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.222 3.603 -6.735 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.710 3.032 -8.318 1.00 0.00 H new ATOM 0 HG LEU A 72 2.532 5.012 -6.977 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.607 3.205 -5.662 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.927 3.464 -5.136 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.331 2.074 -6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.238 3.564 -8.052 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.960 2.434 -8.559 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.008 4.082 -9.229 1.00 0.00 H new ATOM 1091 N GLY A 73 -1.913 5.797 -7.675 1.00 0.00 N ATOM 1092 CA GLY A 73 -3.392 5.777 -7.865 1.00 0.00 C ATOM 1093 C GLY A 73 -4.072 6.406 -6.648 1.00 0.00 C ATOM 1094 O GLY A 73 -3.474 6.562 -5.602 1.00 0.00 O ATOM 0 H GLY A 73 -1.582 6.376 -6.903 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.661 6.325 -8.768 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.738 4.752 -7.999 1.00 0.00 H new ATOM 1098 N LYS A 74 -5.320 6.768 -6.775 1.00 0.00 N ATOM 1099 CA LYS A 74 -6.037 7.385 -5.625 1.00 0.00 C ATOM 1100 C LYS A 74 -7.308 6.585 -5.327 1.00 0.00 C ATOM 1101 O LYS A 74 -7.941 6.054 -6.217 1.00 0.00 O ATOM 1102 CB LYS A 74 -6.414 8.827 -5.974 1.00 0.00 C ATOM 1103 CG LYS A 74 -5.143 9.635 -6.245 1.00 0.00 C ATOM 1104 CD LYS A 74 -5.385 11.103 -5.887 1.00 0.00 C ATOM 1105 CE LYS A 74 -5.123 11.978 -7.114 1.00 0.00 C ATOM 1106 NZ LYS A 74 -4.585 13.297 -6.678 1.00 0.00 N ATOM 0 H LYS A 74 -5.873 6.663 -7.626 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.390 7.379 -4.748 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.062 8.843 -6.851 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.975 9.276 -5.155 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.315 9.238 -5.658 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.860 9.547 -7.294 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.410 11.240 -5.542 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.730 11.401 -5.068 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.414 11.486 -7.780 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.045 12.118 -7.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.407 13.892 -7.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.276 13.767 -6.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.696 13.154 -6.158 1.00 0.00 H new ATOM 1120 N LEU A 75 -7.683 6.493 -4.081 1.00 0.00 N ATOM 1121 CA LEU A 75 -8.912 5.727 -3.727 1.00 0.00 C ATOM 1122 C LEU A 75 -10.115 6.671 -3.715 1.00 0.00 C ATOM 1123 O LEU A 75 -9.999 7.837 -3.396 1.00 0.00 O ATOM 1124 CB LEU A 75 -8.740 5.102 -2.342 1.00 0.00 C ATOM 1125 CG LEU A 75 -9.894 4.134 -2.072 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -9.340 2.722 -1.869 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -10.642 4.574 -0.812 1.00 0.00 C ATOM 0 H LEU A 75 -7.192 6.915 -3.293 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.076 4.940 -4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.788 4.574 -2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.719 5.881 -1.580 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.577 4.137 -2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -10.162 2.033 -1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.806 2.408 -2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.657 2.718 -1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.465 3.886 -0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.958 4.571 0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.037 5.580 -0.956 1.00 0.00 H new ATOM 1139 N THR A 76 -11.272 6.176 -4.063 1.00 0.00 N ATOM 1140 CA THR A 76 -12.482 7.045 -4.071 1.00 0.00 C ATOM 1141 C THR A 76 -13.384 6.685 -2.895 1.00 0.00 C ATOM 1142 O THR A 76 -12.953 6.126 -1.907 1.00 0.00 O ATOM 1143 CB THR A 76 -13.246 6.852 -5.389 1.00 0.00 C ATOM 1144 OG1 THR A 76 -14.084 7.975 -5.623 1.00 0.00 O ATOM 1145 CG2 THR A 76 -14.098 5.579 -5.328 1.00 0.00 C ATOM 0 H THR A 76 -11.431 5.208 -4.342 1.00 0.00 H new ATOM 0 HA THR A 76 -12.177 8.087 -3.981 1.00 0.00 H new ATOM 0 HB THR A 76 -12.527 6.757 -6.203 1.00 0.00 H new ATOM 0 HG1 THR A 76 -14.569 7.851 -6.465 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.634 5.455 -6.269 1.00 0.00 H new ATOM 0 HG22 THR A 76 -13.452 4.717 -5.161 1.00 0.00 H new ATOM 0 HG23 THR A 76 -14.814 5.659 -4.510 1.00 0.00 H new