USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 761 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 Single : A 1 MET CE :methyl -154:sc= -0.22 (180deg=-1.58!) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.0816 (180deg=-0.207) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-2.6!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -7:sc= -2.02 USER MOD Single : A 12 HIS : no HD1:sc= -0.55 X(o=-0.55,f=-0.21) USER MOD Single : A 23 THR OG1 : rot 177:sc= -1.08 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot -175:sc= -1.08 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 162:sc= 0.163 (180deg=0.0295) USER MOD Single : A 41 LYS NZ :NH3+ 159:sc= -1.62 (180deg=-2.08) USER MOD Single : A 42 TYR OH : rot 165:sc= -0.586 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 125:sc= -2.86 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 85:sc= -1.2 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.082 K(o=-0.082,f=-0.71) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.0449 X(o=-0.045,f=-0.045) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 83.166 14.665 0.787 1.00 1.31 N ATOM 2 CA MET A 1 83.342 14.035 -0.554 1.00 0.79 C ATOM 3 C MET A 1 82.087 14.223 -1.406 1.00 0.68 C ATOM 4 O MET A 1 81.064 14.683 -0.930 1.00 0.82 O ATOM 5 CB MET A 1 83.578 12.552 -0.273 1.00 1.18 C ATOM 6 CG MET A 1 85.009 12.353 0.221 1.00 1.69 C ATOM 7 SD MET A 1 85.341 10.583 0.415 1.00 2.57 S ATOM 8 CE MET A 1 84.065 10.248 1.653 1.00 2.76 C ATOM 0 H1 MET A 1 83.931 15.350 0.952 1.00 1.31 H new ATOM 0 H2 MET A 1 82.249 15.154 0.823 1.00 1.31 H new ATOM 0 H3 MET A 1 83.196 13.930 1.522 1.00 1.31 H new ATOM 0 HA MET A 1 84.168 14.483 -1.107 1.00 0.79 H new ATOM 0 HB2 MET A 1 82.870 12.195 0.475 1.00 1.18 H new ATOM 0 HB3 MET A 1 83.409 11.967 -1.177 1.00 1.18 H new ATOM 0 HG2 MET A 1 85.713 12.790 -0.487 1.00 1.69 H new ATOM 0 HG3 MET A 1 85.152 12.867 1.172 1.00 1.69 H new ATOM 0 HE1 MET A 1 84.356 9.384 2.250 1.00 2.76 H new ATOM 0 HE2 MET A 1 83.951 11.116 2.302 1.00 2.76 H new ATOM 0 HE3 MET A 1 83.118 10.042 1.153 1.00 2.76 H new ATOM 20 N ASP A 2 82.158 13.849 -2.657 1.00 0.57 N ATOM 21 CA ASP A 2 80.972 13.975 -3.558 1.00 0.50 C ATOM 22 C ASP A 2 80.018 12.799 -3.339 1.00 0.41 C ATOM 23 O ASP A 2 80.441 11.661 -3.243 1.00 0.38 O ATOM 24 CB ASP A 2 81.543 13.944 -4.978 1.00 0.54 C ATOM 25 CG ASP A 2 82.447 15.161 -5.205 1.00 0.92 C ATOM 26 OD1 ASP A 2 82.201 16.187 -4.589 1.00 1.37 O ATOM 27 OD2 ASP A 2 83.367 15.049 -5.997 1.00 1.70 O ATOM 0 H ASP A 2 82.992 13.459 -3.097 1.00 0.57 H new ATOM 0 HA ASP A 2 80.405 14.887 -3.368 1.00 0.50 H new ATOM 0 HB2 ASP A 2 82.110 13.026 -5.131 1.00 0.54 H new ATOM 0 HB3 ASP A 2 80.731 13.943 -5.705 1.00 0.54 H new ATOM 32 N VAL A 3 78.733 13.062 -3.311 1.00 0.40 N ATOM 33 CA VAL A 3 77.741 11.965 -3.158 1.00 0.33 C ATOM 34 C VAL A 3 76.678 12.078 -4.262 1.00 0.31 C ATOM 35 O VAL A 3 76.171 13.153 -4.533 1.00 0.37 O ATOM 36 CB VAL A 3 77.165 12.158 -1.732 1.00 0.36 C ATOM 37 CG1 VAL A 3 76.071 13.241 -1.681 1.00 0.41 C ATOM 38 CG2 VAL A 3 76.583 10.834 -1.235 1.00 0.30 C ATOM 0 H VAL A 3 78.332 13.997 -3.388 1.00 0.40 H new ATOM 0 HA VAL A 3 78.164 10.966 -3.263 1.00 0.33 H new ATOM 0 HB VAL A 3 77.984 12.485 -1.092 1.00 0.36 H new ATOM 0 HG11 VAL A 3 75.701 13.337 -0.660 1.00 0.41 H new ATOM 0 HG12 VAL A 3 76.487 14.194 -2.007 1.00 0.41 H new ATOM 0 HG13 VAL A 3 75.249 12.960 -2.340 1.00 0.41 H new ATOM 0 HG21 VAL A 3 76.178 10.968 -0.232 1.00 0.30 H new ATOM 0 HG22 VAL A 3 75.788 10.511 -1.907 1.00 0.30 H new ATOM 0 HG23 VAL A 3 77.368 10.078 -1.211 1.00 0.30 H new ATOM 48 N LEU A 4 76.347 10.985 -4.891 1.00 0.26 N ATOM 49 CA LEU A 4 75.320 11.023 -5.979 1.00 0.28 C ATOM 50 C LEU A 4 73.904 10.974 -5.383 1.00 0.28 C ATOM 51 O LEU A 4 72.953 11.416 -6.000 1.00 0.30 O ATOM 52 CB LEU A 4 75.600 9.787 -6.856 1.00 0.27 C ATOM 53 CG LEU A 4 77.085 9.726 -7.285 1.00 0.27 C ATOM 54 CD1 LEU A 4 77.278 8.581 -8.280 1.00 0.36 C ATOM 55 CD2 LEU A 4 77.520 11.047 -7.944 1.00 0.37 C ATOM 0 H LEU A 4 76.742 10.064 -4.701 1.00 0.26 H new ATOM 0 HA LEU A 4 75.377 11.942 -6.563 1.00 0.28 H new ATOM 0 HB2 LEU A 4 75.341 8.882 -6.306 1.00 0.27 H new ATOM 0 HB3 LEU A 4 74.965 9.815 -7.741 1.00 0.27 H new ATOM 0 HG LEU A 4 77.695 9.561 -6.397 1.00 0.27 H new ATOM 0 HD11 LEU A 4 78.324 8.536 -8.584 1.00 0.36 H new ATOM 0 HD12 LEU A 4 76.996 7.639 -7.810 1.00 0.36 H new ATOM 0 HD13 LEU A 4 76.652 8.751 -9.156 1.00 0.36 H new ATOM 0 HD21 LEU A 4 78.568 10.980 -8.237 1.00 0.37 H new ATOM 0 HD22 LEU A 4 76.908 11.232 -8.826 1.00 0.37 H new ATOM 0 HD23 LEU A 4 77.393 11.866 -7.236 1.00 0.37 H new ATOM 67 N ALA A 5 73.772 10.516 -4.155 1.00 0.25 N ATOM 68 CA ALA A 5 72.441 10.522 -3.474 1.00 0.25 C ATOM 69 C ALA A 5 72.624 10.132 -2.006 1.00 0.23 C ATOM 70 O ALA A 5 73.596 9.491 -1.652 1.00 0.25 O ATOM 71 CB ALA A 5 71.595 9.478 -4.207 1.00 0.26 C ATOM 0 H ALA A 5 74.537 10.137 -3.596 1.00 0.25 H new ATOM 0 HA ALA A 5 71.965 11.502 -3.500 1.00 0.25 H new ATOM 0 HB1 ALA A 5 70.604 9.432 -3.756 1.00 0.26 H new ATOM 0 HB2 ALA A 5 71.504 9.756 -5.257 1.00 0.26 H new ATOM 0 HB3 ALA A 5 72.074 8.502 -4.130 1.00 0.26 H new ATOM 77 N LYS A 6 71.738 10.571 -1.149 1.00 0.22 N ATOM 78 CA LYS A 6 71.897 10.294 0.310 1.00 0.22 C ATOM 79 C LYS A 6 70.570 9.804 0.900 1.00 0.21 C ATOM 80 O LYS A 6 69.552 10.458 0.768 1.00 0.23 O ATOM 81 CB LYS A 6 72.285 11.646 0.910 1.00 0.24 C ATOM 82 CG LYS A 6 72.657 11.472 2.381 1.00 1.40 C ATOM 83 CD LYS A 6 73.062 12.828 2.964 1.00 1.50 C ATOM 84 CE LYS A 6 73.923 12.609 4.208 1.00 1.79 C ATOM 85 NZ LYS A 6 73.990 13.942 4.868 1.00 2.30 N ATOM 0 H LYS A 6 70.909 11.111 -1.398 1.00 0.22 H new ATOM 0 HA LYS A 6 72.638 9.521 0.516 1.00 0.22 H new ATOM 0 HB2 LYS A 6 73.125 12.070 0.361 1.00 0.24 H new ATOM 0 HB3 LYS A 6 71.456 12.347 0.816 1.00 0.24 H new ATOM 0 HG2 LYS A 6 71.813 11.062 2.936 1.00 1.40 H new ATOM 0 HG3 LYS A 6 73.478 10.761 2.479 1.00 1.40 H new ATOM 0 HD2 LYS A 6 73.615 13.405 2.222 1.00 1.50 H new ATOM 0 HD3 LYS A 6 72.174 13.406 3.220 1.00 1.50 H new ATOM 0 HE2 LYS A 6 73.480 11.863 4.868 1.00 1.79 H new ATOM 0 HE3 LYS A 6 74.917 12.250 3.942 1.00 1.79 H new ATOM 0 HZ1 LYS A 6 74.565 13.873 5.732 1.00 2.30 H new ATOM 0 HZ2 LYS A 6 74.422 14.630 4.218 1.00 2.30 H new ATOM 0 HZ3 LYS A 6 73.030 14.255 5.116 1.00 2.30 H new ATOM 99 N PHE A 7 70.574 8.656 1.541 1.00 0.19 N ATOM 100 CA PHE A 7 69.307 8.123 2.132 1.00 0.19 C ATOM 101 C PHE A 7 69.603 7.254 3.363 1.00 0.17 C ATOM 102 O PHE A 7 70.728 6.861 3.595 1.00 0.16 O ATOM 103 CB PHE A 7 68.656 7.311 1.001 1.00 0.20 C ATOM 104 CG PHE A 7 69.518 6.127 0.613 1.00 0.19 C ATOM 105 CD1 PHE A 7 70.753 6.333 -0.090 1.00 0.19 C ATOM 106 CD2 PHE A 7 69.094 4.795 0.941 1.00 0.19 C ATOM 107 CE1 PHE A 7 71.563 5.208 -0.462 1.00 0.19 C ATOM 108 CE2 PHE A 7 69.905 3.671 0.568 1.00 0.20 C ATOM 109 CZ PHE A 7 71.139 3.876 -0.132 1.00 0.20 C ATOM 0 H PHE A 7 71.397 8.070 1.679 1.00 0.19 H new ATOM 0 HA PHE A 7 68.646 8.915 2.485 1.00 0.19 H new ATOM 0 HB2 PHE A 7 67.674 6.961 1.319 1.00 0.20 H new ATOM 0 HB3 PHE A 7 68.500 7.951 0.133 1.00 0.20 H new ATOM 0 HD1 PHE A 7 71.072 7.334 -0.339 1.00 0.19 H new ATOM 0 HD2 PHE A 7 68.165 4.639 1.469 1.00 0.19 H new ATOM 0 HE1 PHE A 7 72.492 5.363 -0.990 1.00 0.19 H new ATOM 0 HE2 PHE A 7 69.585 2.669 0.815 1.00 0.20 H new ATOM 0 HZ PHE A 7 71.749 3.030 -0.411 1.00 0.20 H new ATOM 119 N HIS A 8 68.608 7.011 4.181 1.00 0.18 N ATOM 120 CA HIS A 8 68.829 6.232 5.440 1.00 0.18 C ATOM 121 C HIS A 8 68.093 4.889 5.369 1.00 0.17 C ATOM 122 O HIS A 8 66.960 4.814 4.931 1.00 0.18 O ATOM 123 CB HIS A 8 68.239 7.102 6.550 1.00 0.20 C ATOM 124 CG HIS A 8 69.011 8.390 6.646 1.00 0.77 C ATOM 125 ND1 HIS A 8 68.642 9.526 5.943 1.00 1.41 N ATOM 126 CD2 HIS A 8 70.132 8.737 7.357 1.00 1.61 C ATOM 127 CE1 HIS A 8 69.526 10.495 6.246 1.00 1.81 C ATOM 128 NE2 HIS A 8 70.455 10.067 7.104 1.00 1.99 N ATOM 0 H HIS A 8 67.648 7.320 4.030 1.00 0.18 H new ATOM 0 HA HIS A 8 69.883 6.010 5.608 1.00 0.18 H new ATOM 0 HB2 HIS A 8 67.189 7.310 6.344 1.00 0.20 H new ATOM 0 HB3 HIS A 8 68.278 6.571 7.501 1.00 0.20 H new ATOM 0 HD2 HIS A 8 70.681 8.078 8.014 1.00 1.61 H new ATOM 0 HE1 HIS A 8 69.488 11.497 5.844 1.00 1.81 H new ATOM 0 HE2 HIS A 8 71.234 10.600 7.491 1.00 1.99 H new ATOM 136 N THR A 9 68.721 3.842 5.838 1.00 0.16 N ATOM 137 CA THR A 9 68.063 2.498 5.853 1.00 0.17 C ATOM 138 C THR A 9 68.618 1.664 7.020 1.00 0.16 C ATOM 139 O THR A 9 69.688 1.945 7.522 1.00 0.15 O ATOM 140 CB THR A 9 68.390 1.870 4.482 1.00 0.17 C ATOM 141 OG1 THR A 9 67.641 0.674 4.324 1.00 0.18 O ATOM 142 CG2 THR A 9 69.887 1.553 4.366 1.00 0.17 C ATOM 0 H THR A 9 69.669 3.859 6.214 1.00 0.16 H new ATOM 0 HA THR A 9 66.985 2.552 6.002 1.00 0.17 H new ATOM 0 HB THR A 9 68.127 2.584 3.701 1.00 0.17 H new ATOM 0 HG1 THR A 9 67.845 0.273 3.453 1.00 0.18 H new ATOM 0 HG21 THR A 9 70.091 1.111 3.391 1.00 0.17 H new ATOM 0 HG22 THR A 9 70.463 2.472 4.476 1.00 0.17 H new ATOM 0 HG23 THR A 9 70.172 0.850 5.149 1.00 0.17 H new ATOM 150 N THR A 10 67.932 0.615 7.412 1.00 0.17 N ATOM 151 CA THR A 10 68.466 -0.263 8.501 1.00 0.17 C ATOM 152 C THR A 10 68.860 -1.632 7.926 1.00 0.17 C ATOM 153 O THR A 10 68.437 -2.001 6.844 1.00 0.17 O ATOM 154 CB THR A 10 67.336 -0.363 9.559 1.00 0.17 C ATOM 155 OG1 THR A 10 67.872 -0.865 10.771 1.00 0.17 O ATOM 156 CG2 THR A 10 66.205 -1.295 9.109 1.00 0.17 C ATOM 0 H THR A 10 67.031 0.331 7.027 1.00 0.17 H new ATOM 0 HA THR A 10 69.370 0.140 8.959 1.00 0.17 H new ATOM 0 HB THR A 10 66.925 0.638 9.693 1.00 0.17 H new ATOM 0 HG1 THR A 10 68.800 -1.146 10.627 1.00 0.17 H new ATOM 0 HG21 THR A 10 65.437 -1.334 9.881 1.00 0.17 H new ATOM 0 HG22 THR A 10 65.770 -0.919 8.183 1.00 0.17 H new ATOM 0 HG23 THR A 10 66.603 -2.296 8.942 1.00 0.17 H new ATOM 164 N VAL A 11 69.712 -2.346 8.613 1.00 0.17 N ATOM 165 CA VAL A 11 70.199 -3.657 8.082 1.00 0.17 C ATOM 166 C VAL A 11 69.152 -4.746 8.320 1.00 0.17 C ATOM 167 O VAL A 11 68.662 -4.917 9.419 1.00 0.17 O ATOM 168 CB VAL A 11 71.486 -3.965 8.861 1.00 0.21 C ATOM 169 CG1 VAL A 11 72.085 -5.288 8.366 1.00 0.29 C ATOM 170 CG2 VAL A 11 72.504 -2.834 8.647 1.00 0.49 C ATOM 0 H VAL A 11 70.093 -2.079 9.521 1.00 0.17 H new ATOM 0 HA VAL A 11 70.381 -3.619 7.008 1.00 0.17 H new ATOM 0 HB VAL A 11 71.251 -4.046 9.922 1.00 0.21 H new ATOM 0 HG11 VAL A 11 72.998 -5.504 8.921 1.00 0.29 H new ATOM 0 HG12 VAL A 11 71.367 -6.093 8.521 1.00 0.29 H new ATOM 0 HG13 VAL A 11 72.316 -5.208 7.304 1.00 0.29 H new ATOM 0 HG21 VAL A 11 73.416 -3.056 9.201 1.00 0.49 H new ATOM 0 HG22 VAL A 11 72.736 -2.749 7.585 1.00 0.49 H new ATOM 0 HG23 VAL A 11 72.083 -1.894 9.003 1.00 0.49 H new ATOM 180 N HIS A 12 68.898 -5.545 7.319 1.00 0.21 N ATOM 181 CA HIS A 12 67.989 -6.716 7.486 1.00 0.25 C ATOM 182 C HIS A 12 68.784 -8.008 7.333 1.00 0.25 C ATOM 183 O HIS A 12 69.964 -7.991 7.040 1.00 0.25 O ATOM 184 CB HIS A 12 66.937 -6.605 6.385 1.00 0.26 C ATOM 185 CG HIS A 12 65.822 -5.713 6.853 1.00 0.31 C ATOM 186 ND1 HIS A 12 66.022 -4.374 7.148 1.00 0.24 N ATOM 187 CD2 HIS A 12 64.492 -5.955 7.093 1.00 0.68 C ATOM 188 CE1 HIS A 12 64.842 -3.865 7.547 1.00 0.23 C ATOM 189 NE2 HIS A 12 63.876 -4.786 7.531 1.00 0.56 N ATOM 0 H HIS A 12 69.286 -5.435 6.382 1.00 0.21 H new ATOM 0 HA HIS A 12 67.523 -6.727 8.471 1.00 0.25 H new ATOM 0 HB2 HIS A 12 67.385 -6.201 5.477 1.00 0.26 H new ATOM 0 HB3 HIS A 12 66.548 -7.593 6.136 1.00 0.26 H new ATOM 0 HD2 HIS A 12 63.999 -6.907 6.962 1.00 0.68 H new ATOM 0 HE1 HIS A 12 64.695 -2.837 7.844 1.00 0.23 H new ATOM 0 HE2 HIS A 12 62.896 -4.660 7.785 1.00 0.56 H new ATOM 197 N ARG A 13 68.164 -9.124 7.613 1.00 0.29 N ATOM 198 CA ARG A 13 68.882 -10.447 7.578 1.00 0.32 C ATOM 199 C ARG A 13 69.736 -10.606 6.304 1.00 0.29 C ATOM 200 O ARG A 13 69.510 -9.950 5.307 1.00 0.24 O ATOM 201 CB ARG A 13 67.762 -11.486 7.588 1.00 0.36 C ATOM 202 CG ARG A 13 67.080 -11.491 8.957 1.00 0.72 C ATOM 203 CD ARG A 13 66.030 -12.605 9.002 1.00 1.16 C ATOM 204 NE ARG A 13 65.296 -12.399 10.292 1.00 1.81 N ATOM 205 CZ ARG A 13 64.613 -13.375 10.868 1.00 2.39 C ATOM 206 NH1 ARG A 13 64.534 -14.577 10.339 1.00 2.96 N ATOM 207 NH2 ARG A 13 63.997 -13.137 11.993 1.00 2.76 N ATOM 0 H ARG A 13 67.178 -9.183 7.868 1.00 0.29 H new ATOM 0 HA ARG A 13 69.572 -10.547 8.416 1.00 0.32 H new ATOM 0 HB2 ARG A 13 67.034 -11.259 6.809 1.00 0.36 H new ATOM 0 HB3 ARG A 13 68.167 -12.474 7.368 1.00 0.36 H new ATOM 0 HG2 ARG A 13 67.820 -11.643 9.743 1.00 0.72 H new ATOM 0 HG3 ARG A 13 66.609 -10.526 9.144 1.00 0.72 H new ATOM 0 HD2 ARG A 13 65.354 -12.544 8.150 1.00 1.16 H new ATOM 0 HD3 ARG A 13 66.498 -13.589 8.967 1.00 1.16 H new ATOM 0 HE ARG A 13 65.324 -11.482 10.738 1.00 1.81 H new ATOM 0 HH11 ARG A 13 65.008 -14.779 9.459 1.00 2.96 H new ATOM 0 HH12 ARG A 13 63.999 -15.307 10.809 1.00 2.96 H new ATOM 0 HH21 ARG A 13 64.046 -12.210 12.415 1.00 2.76 H new ATOM 0 HH22 ARG A 13 63.466 -13.878 12.450 1.00 2.76 H new ATOM 221 N ILE A 14 70.785 -11.395 6.386 1.00 0.34 N ATOM 222 CA ILE A 14 71.769 -11.551 5.248 1.00 0.34 C ATOM 223 C ILE A 14 72.494 -10.231 4.905 1.00 0.28 C ATOM 224 O ILE A 14 73.223 -10.177 3.930 1.00 0.29 O ATOM 225 CB ILE A 14 70.966 -12.037 4.024 1.00 0.36 C ATOM 226 CG1 ILE A 14 70.161 -13.293 4.379 1.00 0.31 C ATOM 227 CG2 ILE A 14 71.933 -12.375 2.889 1.00 0.42 C ATOM 228 CD1 ILE A 14 69.149 -13.575 3.268 1.00 0.36 C ATOM 0 H ILE A 14 71.010 -11.952 7.210 1.00 0.34 H new ATOM 0 HA ILE A 14 72.544 -12.261 5.539 1.00 0.34 H new ATOM 0 HB ILE A 14 70.281 -11.247 3.716 1.00 0.36 H new ATOM 0 HG12 ILE A 14 70.830 -14.145 4.502 1.00 0.31 H new ATOM 0 HG13 ILE A 14 69.646 -13.152 5.329 1.00 0.31 H new ATOM 0 HG21 ILE A 14 71.370 -12.719 2.022 1.00 0.42 H new ATOM 0 HG22 ILE A 14 72.505 -11.486 2.621 1.00 0.42 H new ATOM 0 HG23 ILE A 14 72.615 -13.161 3.214 1.00 0.42 H new ATOM 0 HD11 ILE A 14 68.575 -14.467 3.517 1.00 0.36 H new ATOM 0 HD12 ILE A 14 68.474 -12.725 3.167 1.00 0.36 H new ATOM 0 HD13 ILE A 14 69.676 -13.733 2.327 1.00 0.36 H new ATOM 240 N GLY A 15 72.323 -9.179 5.681 1.00 0.24 N ATOM 241 CA GLY A 15 73.025 -7.892 5.374 1.00 0.20 C ATOM 242 C GLY A 15 72.320 -7.163 4.218 1.00 0.17 C ATOM 243 O GLY A 15 72.910 -6.314 3.573 1.00 0.15 O ATOM 0 H GLY A 15 71.729 -9.160 6.510 1.00 0.24 H new ATOM 0 HA2 GLY A 15 73.038 -7.257 6.260 1.00 0.20 H new ATOM 0 HA3 GLY A 15 74.063 -8.090 5.109 1.00 0.20 H new ATOM 247 N ARG A 16 71.101 -7.541 3.896 1.00 0.18 N ATOM 248 CA ARG A 16 70.402 -6.928 2.725 1.00 0.18 C ATOM 249 C ARG A 16 69.699 -5.632 3.140 1.00 0.19 C ATOM 250 O ARG A 16 69.075 -5.569 4.181 1.00 0.24 O ATOM 251 CB ARG A 16 69.382 -7.982 2.289 1.00 0.26 C ATOM 252 CG ARG A 16 68.633 -7.505 1.044 1.00 0.26 C ATOM 253 CD ARG A 16 67.549 -8.527 0.681 1.00 0.76 C ATOM 254 NE ARG A 16 68.284 -9.801 0.392 1.00 0.91 N ATOM 255 CZ ARG A 16 67.671 -10.973 0.395 1.00 1.31 C ATOM 256 NH1 ARG A 16 66.385 -11.086 0.649 1.00 1.96 N ATOM 257 NH2 ARG A 16 68.363 -12.048 0.137 1.00 1.41 N ATOM 0 H ARG A 16 70.563 -8.248 4.397 1.00 0.18 H new ATOM 0 HA ARG A 16 71.090 -6.664 1.921 1.00 0.18 H new ATOM 0 HB2 ARG A 16 69.888 -8.924 2.080 1.00 0.26 H new ATOM 0 HB3 ARG A 16 68.676 -8.172 3.097 1.00 0.26 H new ATOM 0 HG2 ARG A 16 68.182 -6.530 1.228 1.00 0.26 H new ATOM 0 HG3 ARG A 16 69.327 -7.383 0.212 1.00 0.26 H new ATOM 0 HD2 ARG A 16 66.843 -8.658 1.501 1.00 0.76 H new ATOM 0 HD3 ARG A 16 66.975 -8.200 -0.186 1.00 0.76 H new ATOM 0 HE ARG A 16 69.283 -9.763 0.188 1.00 0.91 H new ATOM 0 HH11 ARG A 16 65.830 -10.254 0.852 1.00 1.96 H new ATOM 0 HH12 ARG A 16 65.943 -12.005 0.643 1.00 1.96 H new ATOM 0 HH21 ARG A 16 69.361 -11.977 -0.063 1.00 1.41 H new ATOM 0 HH22 ARG A 16 67.907 -12.960 0.135 1.00 1.41 H new ATOM 271 N ILE A 17 69.692 -4.652 2.271 1.00 0.18 N ATOM 272 CA ILE A 17 68.892 -3.413 2.531 1.00 0.21 C ATOM 273 C ILE A 17 68.097 -3.044 1.273 1.00 0.19 C ATOM 274 O ILE A 17 68.509 -3.350 0.171 1.00 0.15 O ATOM 275 CB ILE A 17 69.915 -2.322 2.888 1.00 0.24 C ATOM 276 CG1 ILE A 17 70.880 -2.092 1.715 1.00 0.23 C ATOM 277 CG2 ILE A 17 70.713 -2.749 4.122 1.00 0.26 C ATOM 278 CD1 ILE A 17 71.685 -0.807 1.945 1.00 0.30 C ATOM 0 H ILE A 17 70.207 -4.656 1.390 1.00 0.18 H new ATOM 0 HA ILE A 17 68.171 -3.543 3.338 1.00 0.21 H new ATOM 0 HB ILE A 17 69.380 -1.396 3.097 1.00 0.24 H new ATOM 0 HG12 ILE A 17 71.555 -2.942 1.617 1.00 0.23 H new ATOM 0 HG13 ILE A 17 70.321 -2.019 0.782 1.00 0.23 H new ATOM 0 HG21 ILE A 17 71.437 -1.974 4.373 1.00 0.26 H new ATOM 0 HG22 ILE A 17 70.034 -2.896 4.962 1.00 0.26 H new ATOM 0 HG23 ILE A 17 71.237 -3.681 3.912 1.00 0.26 H new ATOM 0 HD11 ILE A 17 72.367 -0.650 1.109 1.00 0.30 H new ATOM 0 HD12 ILE A 17 71.004 0.040 2.021 1.00 0.30 H new ATOM 0 HD13 ILE A 17 72.257 -0.896 2.868 1.00 0.30 H new ATOM 290 N ILE A 18 67.009 -2.330 1.426 1.00 0.23 N ATOM 291 CA ILE A 18 66.238 -1.868 0.229 1.00 0.20 C ATOM 292 C ILE A 18 66.245 -0.344 0.159 1.00 0.20 C ATOM 293 O ILE A 18 65.859 0.324 1.102 1.00 0.22 O ATOM 294 CB ILE A 18 64.802 -2.377 0.422 1.00 0.23 C ATOM 295 CG1 ILE A 18 64.789 -3.903 0.643 1.00 0.25 C ATOM 296 CG2 ILE A 18 63.972 -2.032 -0.819 1.00 0.22 C ATOM 297 CD1 ILE A 18 65.447 -4.625 -0.539 1.00 0.24 C ATOM 0 H ILE A 18 66.622 -2.047 2.326 1.00 0.23 H new ATOM 0 HA ILE A 18 66.675 -2.245 -0.696 1.00 0.20 H new ATOM 0 HB ILE A 18 64.374 -1.896 1.302 1.00 0.23 H new ATOM 0 HG12 ILE A 18 65.317 -4.147 1.565 1.00 0.25 H new ATOM 0 HG13 ILE A 18 63.763 -4.250 0.762 1.00 0.25 H new ATOM 0 HG21 ILE A 18 62.952 -2.392 -0.686 1.00 0.22 H new ATOM 0 HG22 ILE A 18 63.960 -0.951 -0.960 1.00 0.22 H new ATOM 0 HG23 ILE A 18 64.413 -2.507 -1.695 1.00 0.22 H new ATOM 0 HD11 ILE A 18 65.428 -5.701 -0.364 1.00 0.24 H new ATOM 0 HD12 ILE A 18 64.901 -4.396 -1.454 1.00 0.24 H new ATOM 0 HD13 ILE A 18 66.480 -4.292 -0.640 1.00 0.24 H new ATOM 309 N ILE A 19 66.597 0.203 -0.978 1.00 0.17 N ATOM 310 CA ILE A 19 66.530 1.688 -1.145 1.00 0.17 C ATOM 311 C ILE A 19 65.079 2.105 -1.423 1.00 0.19 C ATOM 312 O ILE A 19 64.386 1.425 -2.151 1.00 0.17 O ATOM 313 CB ILE A 19 67.438 2.015 -2.341 1.00 0.16 C ATOM 314 CG1 ILE A 19 68.868 1.526 -2.018 1.00 0.20 C ATOM 315 CG2 ILE A 19 67.430 3.536 -2.572 1.00 0.15 C ATOM 316 CD1 ILE A 19 69.863 1.951 -3.104 1.00 0.23 C ATOM 0 H ILE A 19 66.927 -0.312 -1.795 1.00 0.17 H new ATOM 0 HA ILE A 19 66.856 2.223 -0.253 1.00 0.17 H new ATOM 0 HB ILE A 19 67.083 1.519 -3.244 1.00 0.16 H new ATOM 0 HG12 ILE A 19 69.183 1.929 -1.056 1.00 0.20 H new ATOM 0 HG13 ILE A 19 68.870 0.440 -1.925 1.00 0.20 H new ATOM 0 HG21 ILE A 19 68.072 3.779 -3.419 1.00 0.15 H new ATOM 0 HG22 ILE A 19 66.413 3.867 -2.781 1.00 0.15 H new ATOM 0 HG23 ILE A 19 67.800 4.041 -1.680 1.00 0.15 H new ATOM 0 HD11 ILE A 19 70.859 1.591 -2.846 1.00 0.23 H new ATOM 0 HD12 ILE A 19 69.560 1.526 -4.061 1.00 0.23 H new ATOM 0 HD13 ILE A 19 69.878 3.038 -3.178 1.00 0.23 H new ATOM 328 N PRO A 20 64.680 3.259 -0.925 1.00 0.24 N ATOM 329 CA PRO A 20 63.327 3.784 -1.253 1.00 0.28 C ATOM 330 C PRO A 20 63.229 4.057 -2.746 1.00 0.26 C ATOM 331 O PRO A 20 64.185 4.480 -3.369 1.00 0.25 O ATOM 332 CB PRO A 20 63.250 5.083 -0.460 1.00 0.34 C ATOM 333 CG PRO A 20 64.680 5.475 -0.295 1.00 0.35 C ATOM 334 CD PRO A 20 65.406 4.188 -0.038 1.00 0.29 C ATOM 0 HA PRO A 20 62.520 3.094 -1.008 1.00 0.28 H new ATOM 0 HB2 PRO A 20 62.684 5.846 -0.994 1.00 0.34 H new ATOM 0 HB3 PRO A 20 62.760 4.937 0.503 1.00 0.34 H new ATOM 0 HG2 PRO A 20 65.059 5.971 -1.188 1.00 0.35 H new ATOM 0 HG3 PRO A 20 64.806 6.172 0.534 1.00 0.35 H new ATOM 0 HD2 PRO A 20 66.464 4.256 -0.292 1.00 0.29 H new ATOM 0 HD3 PRO A 20 65.348 3.886 1.008 1.00 0.29 H new ATOM 342 N ALA A 21 62.086 3.806 -3.326 1.00 0.28 N ATOM 343 CA ALA A 21 61.915 4.026 -4.797 1.00 0.29 C ATOM 344 C ALA A 21 62.243 5.480 -5.165 1.00 0.31 C ATOM 345 O ALA A 21 62.628 5.774 -6.283 1.00 0.32 O ATOM 346 CB ALA A 21 60.443 3.723 -5.088 1.00 0.33 C ATOM 0 H ALA A 21 61.258 3.456 -2.844 1.00 0.28 H new ATOM 0 HA ALA A 21 62.583 3.391 -5.380 1.00 0.29 H new ATOM 0 HB1 ALA A 21 60.246 3.864 -6.151 1.00 0.33 H new ATOM 0 HB2 ALA A 21 60.222 2.692 -4.812 1.00 0.33 H new ATOM 0 HB3 ALA A 21 59.811 4.397 -4.509 1.00 0.33 H new ATOM 352 N GLY A 22 62.084 6.388 -4.229 1.00 0.34 N ATOM 353 CA GLY A 22 62.368 7.826 -4.521 1.00 0.38 C ATOM 354 C GLY A 22 63.852 8.013 -4.834 1.00 0.37 C ATOM 355 O GLY A 22 64.214 8.697 -5.778 1.00 0.39 O ATOM 0 H GLY A 22 61.770 6.193 -3.278 1.00 0.34 H new ATOM 0 HA2 GLY A 22 61.765 8.160 -5.365 1.00 0.38 H new ATOM 0 HA3 GLY A 22 62.088 8.441 -3.666 1.00 0.38 H new ATOM 359 N THR A 23 64.714 7.415 -4.048 1.00 0.34 N ATOM 360 CA THR A 23 66.182 7.566 -4.292 1.00 0.34 C ATOM 361 C THR A 23 66.581 6.836 -5.573 1.00 0.30 C ATOM 362 O THR A 23 67.403 7.314 -6.332 1.00 0.32 O ATOM 363 CB THR A 23 66.870 6.937 -3.076 1.00 0.34 C ATOM 364 OG1 THR A 23 66.413 7.577 -1.894 1.00 0.39 O ATOM 365 CG2 THR A 23 68.387 7.107 -3.198 1.00 0.37 C ATOM 0 H THR A 23 64.465 6.830 -3.250 1.00 0.34 H new ATOM 0 HA THR A 23 66.468 8.610 -4.417 1.00 0.34 H new ATOM 0 HB THR A 23 66.630 5.875 -3.031 1.00 0.34 H new ATOM 0 HG1 THR A 23 66.814 7.144 -1.112 1.00 0.39 H new ATOM 0 HG21 THR A 23 68.874 6.659 -2.332 1.00 0.37 H new ATOM 0 HG22 THR A 23 68.736 6.615 -4.106 1.00 0.37 H new ATOM 0 HG23 THR A 23 68.632 8.168 -3.243 1.00 0.37 H new ATOM 373 N ARG A 24 65.982 5.697 -5.842 1.00 0.26 N ATOM 374 CA ARG A 24 66.308 4.947 -7.110 1.00 0.25 C ATOM 375 C ARG A 24 66.072 5.854 -8.321 1.00 0.28 C ATOM 376 O ARG A 24 66.828 5.846 -9.272 1.00 0.29 O ATOM 377 CB ARG A 24 65.353 3.744 -7.203 1.00 0.25 C ATOM 378 CG ARG A 24 65.281 2.970 -5.883 1.00 0.23 C ATOM 379 CD ARG A 24 64.940 1.510 -6.171 1.00 0.24 C ATOM 380 NE ARG A 24 64.176 1.048 -4.971 1.00 0.27 N ATOM 381 CZ ARG A 24 63.337 0.027 -5.030 1.00 0.34 C ATOM 382 NH1 ARG A 24 63.124 -0.643 -6.142 1.00 0.40 N ATOM 383 NH2 ARG A 24 62.702 -0.325 -3.947 1.00 0.39 N ATOM 0 H ARG A 24 65.285 5.253 -5.244 1.00 0.26 H new ATOM 0 HA ARG A 24 67.349 4.624 -7.099 1.00 0.25 H new ATOM 0 HB2 ARG A 24 64.356 4.092 -7.475 1.00 0.25 H new ATOM 0 HB3 ARG A 24 65.686 3.077 -7.998 1.00 0.25 H new ATOM 0 HG2 ARG A 24 66.234 3.036 -5.357 1.00 0.23 H new ATOM 0 HG3 ARG A 24 64.526 3.410 -5.231 1.00 0.23 H new ATOM 0 HD2 ARG A 24 64.344 1.415 -7.079 1.00 0.24 H new ATOM 0 HD3 ARG A 24 65.842 0.915 -6.318 1.00 0.24 H new ATOM 0 HE ARG A 24 64.305 1.533 -4.083 1.00 0.27 H new ATOM 0 HH11 ARG A 24 63.614 -0.380 -6.997 1.00 0.40 H new ATOM 0 HH12 ARG A 24 62.469 -1.425 -6.149 1.00 0.40 H new ATOM 0 HH21 ARG A 24 62.857 0.184 -3.077 1.00 0.39 H new ATOM 0 HH22 ARG A 24 62.050 -1.109 -3.970 1.00 0.39 H new ATOM 397 N LYS A 25 64.989 6.596 -8.301 1.00 0.32 N ATOM 398 CA LYS A 25 64.648 7.468 -9.468 1.00 0.37 C ATOM 399 C LYS A 25 65.685 8.582 -9.616 1.00 0.38 C ATOM 400 O LYS A 25 66.214 8.813 -10.686 1.00 0.40 O ATOM 401 CB LYS A 25 63.262 8.052 -9.142 1.00 0.42 C ATOM 402 CG LYS A 25 62.808 9.006 -10.256 1.00 1.08 C ATOM 403 CD LYS A 25 62.680 8.233 -11.566 1.00 1.68 C ATOM 404 CE LYS A 25 62.129 9.153 -12.658 1.00 2.42 C ATOM 405 NZ LYS A 25 60.671 8.855 -12.711 1.00 2.97 N ATOM 0 H LYS A 25 64.327 6.634 -7.526 1.00 0.32 H new ATOM 0 HA LYS A 25 64.642 6.916 -10.408 1.00 0.37 H new ATOM 0 HB2 LYS A 25 62.538 7.245 -9.028 1.00 0.42 H new ATOM 0 HB3 LYS A 25 63.299 8.584 -8.191 1.00 0.42 H new ATOM 0 HG2 LYS A 25 61.852 9.460 -9.994 1.00 1.08 H new ATOM 0 HG3 LYS A 25 63.526 9.818 -10.369 1.00 1.08 H new ATOM 0 HD2 LYS A 25 63.652 7.841 -11.864 1.00 1.68 H new ATOM 0 HD3 LYS A 25 62.019 7.377 -11.431 1.00 1.68 H new ATOM 0 HE2 LYS A 25 62.310 10.201 -12.420 1.00 2.42 H new ATOM 0 HE3 LYS A 25 62.607 8.957 -13.618 1.00 2.42 H new ATOM 0 HZ1 LYS A 25 60.222 9.448 -13.438 1.00 2.97 H new ATOM 0 HZ2 LYS A 25 60.530 7.852 -12.946 1.00 2.97 H new ATOM 0 HZ3 LYS A 25 60.242 9.057 -11.786 1.00 2.97 H new ATOM 419 N PHE A 26 65.963 9.272 -8.547 1.00 0.38 N ATOM 420 CA PHE A 26 66.946 10.408 -8.599 1.00 0.42 C ATOM 421 C PHE A 26 68.303 9.926 -9.119 1.00 0.42 C ATOM 422 O PHE A 26 68.998 10.640 -9.819 1.00 0.46 O ATOM 423 CB PHE A 26 67.070 10.897 -7.152 1.00 0.43 C ATOM 424 CG PHE A 26 67.961 12.116 -7.103 1.00 0.51 C ATOM 425 CD1 PHE A 26 67.431 13.408 -7.430 1.00 0.55 C ATOM 426 CD2 PHE A 26 69.340 11.978 -6.729 1.00 0.56 C ATOM 427 CE1 PHE A 26 68.280 14.565 -7.383 1.00 0.63 C ATOM 428 CE2 PHE A 26 70.189 13.135 -6.683 1.00 0.64 C ATOM 429 CZ PHE A 26 69.659 14.428 -7.009 1.00 0.67 C ATOM 0 H PHE A 26 65.552 9.103 -7.629 1.00 0.38 H new ATOM 0 HA PHE A 26 66.616 11.199 -9.272 1.00 0.42 H new ATOM 0 HB2 PHE A 26 66.085 11.138 -6.753 1.00 0.43 H new ATOM 0 HB3 PHE A 26 67.483 10.107 -6.525 1.00 0.43 H new ATOM 0 HD1 PHE A 26 66.393 13.511 -7.712 1.00 0.55 H new ATOM 0 HD2 PHE A 26 69.738 11.005 -6.482 1.00 0.56 H new ATOM 0 HE1 PHE A 26 67.881 15.538 -7.629 1.00 0.63 H new ATOM 0 HE2 PHE A 26 71.227 13.032 -6.403 1.00 0.64 H new ATOM 0 HZ PHE A 26 70.298 15.298 -6.973 1.00 0.67 H new ATOM 439 N TYR A 27 68.700 8.743 -8.734 1.00 0.39 N ATOM 440 CA TYR A 27 70.041 8.217 -9.147 1.00 0.42 C ATOM 441 C TYR A 27 69.967 7.508 -10.513 1.00 0.35 C ATOM 442 O TYR A 27 70.982 7.285 -11.149 1.00 0.37 O ATOM 443 CB TYR A 27 70.409 7.228 -8.037 1.00 0.46 C ATOM 444 CG TYR A 27 71.819 6.712 -8.214 1.00 0.67 C ATOM 445 CD1 TYR A 27 72.115 5.734 -9.224 1.00 0.85 C ATOM 446 CD2 TYR A 27 72.861 7.182 -7.350 1.00 0.95 C ATOM 447 CE1 TYR A 27 73.450 5.231 -9.368 1.00 1.10 C ATOM 448 CE2 TYR A 27 74.194 6.672 -7.489 1.00 1.16 C ATOM 449 CZ TYR A 27 74.488 5.697 -8.497 1.00 1.18 C ATOM 450 OH TYR A 27 75.766 5.203 -8.623 1.00 1.44 O ATOM 0 H TYR A 27 68.153 8.112 -8.148 1.00 0.39 H new ATOM 0 HA TYR A 27 70.779 9.010 -9.267 1.00 0.42 H new ATOM 0 HB2 TYR A 27 70.316 7.715 -7.066 1.00 0.46 H new ATOM 0 HB3 TYR A 27 69.709 6.392 -8.043 1.00 0.46 H new ATOM 0 HD1 TYR A 27 71.331 5.377 -9.876 1.00 0.85 H new ATOM 0 HD2 TYR A 27 72.642 7.921 -6.593 1.00 0.95 H new ATOM 0 HE1 TYR A 27 73.673 4.501 -10.132 1.00 1.10 H new ATOM 0 HE2 TYR A 27 74.977 7.023 -6.833 1.00 1.16 H new ATOM 0 HH TYR A 27 76.328 5.564 -7.906 1.00 1.44 H new ATOM 460 N GLY A 28 68.780 7.193 -10.993 1.00 0.31 N ATOM 461 CA GLY A 28 68.660 6.539 -12.332 1.00 0.29 C ATOM 462 C GLY A 28 69.055 5.062 -12.221 1.00 0.26 C ATOM 463 O GLY A 28 69.792 4.550 -13.043 1.00 0.27 O ATOM 0 H GLY A 28 67.896 7.362 -10.513 1.00 0.31 H new ATOM 0 HA2 GLY A 28 67.638 6.626 -12.700 1.00 0.29 H new ATOM 0 HA3 GLY A 28 69.302 7.044 -13.053 1.00 0.29 H new ATOM 467 N ILE A 29 68.616 4.391 -11.179 1.00 0.24 N ATOM 468 CA ILE A 29 69.017 2.961 -10.973 1.00 0.23 C ATOM 469 C ILE A 29 68.039 2.022 -11.686 1.00 0.20 C ATOM 470 O ILE A 29 66.856 2.009 -11.399 1.00 0.22 O ATOM 471 CB ILE A 29 68.969 2.726 -9.454 1.00 0.29 C ATOM 472 CG1 ILE A 29 69.932 3.692 -8.760 1.00 0.35 C ATOM 473 CG2 ILE A 29 69.384 1.284 -9.137 1.00 0.34 C ATOM 474 CD1 ILE A 29 69.824 3.554 -7.236 1.00 0.42 C ATOM 0 H ILE A 29 67.998 4.773 -10.463 1.00 0.24 H new ATOM 0 HA ILE A 29 70.008 2.762 -11.380 1.00 0.23 H new ATOM 0 HB ILE A 29 67.953 2.896 -9.097 1.00 0.29 H new ATOM 0 HG12 ILE A 29 70.954 3.487 -9.078 1.00 0.35 H new ATOM 0 HG13 ILE A 29 69.705 4.716 -9.056 1.00 0.35 H new ATOM 0 HG21 ILE A 29 69.348 1.124 -8.059 1.00 0.34 H new ATOM 0 HG22 ILE A 29 68.701 0.592 -9.630 1.00 0.34 H new ATOM 0 HG23 ILE A 29 70.398 1.110 -9.496 1.00 0.34 H new ATOM 0 HD11 ILE A 29 70.515 4.248 -6.758 1.00 0.42 H new ATOM 0 HD12 ILE A 29 68.806 3.782 -6.921 1.00 0.42 H new ATOM 0 HD13 ILE A 29 70.074 2.534 -6.944 1.00 0.42 H new ATOM 486 N GLU A 30 68.568 1.118 -12.470 1.00 0.17 N ATOM 487 CA GLU A 30 67.730 0.027 -13.047 1.00 0.18 C ATOM 488 C GLU A 30 68.394 -1.318 -12.750 1.00 0.17 C ATOM 489 O GLU A 30 69.579 -1.379 -12.476 1.00 0.18 O ATOM 490 CB GLU A 30 67.696 0.294 -14.554 1.00 0.22 C ATOM 491 CG GLU A 30 67.058 1.663 -14.820 1.00 1.06 C ATOM 492 CD GLU A 30 66.944 1.919 -16.331 1.00 1.14 C ATOM 493 OE1 GLU A 30 67.633 1.253 -17.092 1.00 1.82 O ATOM 494 OE2 GLU A 30 66.165 2.781 -16.703 1.00 1.37 O ATOM 0 H GLU A 30 69.552 1.090 -12.736 1.00 0.17 H new ATOM 0 HA GLU A 30 66.723 -0.000 -12.630 1.00 0.18 H new ATOM 0 HB2 GLU A 30 68.707 0.267 -14.961 1.00 0.22 H new ATOM 0 HB3 GLU A 30 67.128 -0.487 -15.059 1.00 0.22 H new ATOM 0 HG2 GLU A 30 66.070 1.705 -14.362 1.00 1.06 H new ATOM 0 HG3 GLU A 30 67.658 2.446 -14.357 1.00 1.06 H new ATOM 501 N GLN A 31 67.644 -2.395 -12.778 1.00 0.20 N ATOM 502 CA GLN A 31 68.240 -3.737 -12.465 1.00 0.20 C ATOM 503 C GLN A 31 69.410 -4.037 -13.407 1.00 0.19 C ATOM 504 O GLN A 31 69.353 -3.760 -14.591 1.00 0.20 O ATOM 505 CB GLN A 31 67.118 -4.749 -12.682 1.00 0.25 C ATOM 506 CG GLN A 31 67.571 -6.125 -12.190 1.00 1.08 C ATOM 507 CD GLN A 31 66.505 -7.167 -12.535 1.00 1.10 C ATOM 508 OE1 GLN A 31 66.217 -7.397 -13.693 1.00 0.70 O ATOM 509 NE2 GLN A 31 65.905 -7.813 -11.573 1.00 1.99 N ATOM 0 H GLN A 31 66.649 -2.405 -13.003 1.00 0.20 H new ATOM 0 HA GLN A 31 68.628 -3.774 -11.447 1.00 0.20 H new ATOM 0 HB2 GLN A 31 66.222 -4.436 -12.146 1.00 0.25 H new ATOM 0 HB3 GLN A 31 66.856 -4.797 -13.739 1.00 0.25 H new ATOM 0 HG2 GLN A 31 68.521 -6.394 -12.653 1.00 1.08 H new ATOM 0 HG3 GLN A 31 67.737 -6.101 -11.113 1.00 1.08 H new ATOM 0 HE21 GLN A 31 66.147 -7.620 -10.601 1.00 1.99 H new ATOM 0 HE22 GLN A 31 65.194 -8.511 -11.793 1.00 1.99 H new ATOM 518 N GLY A 32 70.456 -4.617 -12.883 1.00 0.18 N ATOM 519 CA GLY A 32 71.636 -4.966 -13.728 1.00 0.19 C ATOM 520 C GLY A 32 72.690 -3.848 -13.684 1.00 0.17 C ATOM 521 O GLY A 32 73.834 -4.072 -14.038 1.00 0.18 O ATOM 0 H GLY A 32 70.545 -4.866 -11.898 1.00 0.18 H new ATOM 0 HA2 GLY A 32 72.076 -5.900 -13.378 1.00 0.19 H new ATOM 0 HA3 GLY A 32 71.316 -5.130 -14.757 1.00 0.19 H new ATOM 525 N ASP A 33 72.336 -2.659 -13.231 1.00 0.15 N ATOM 526 CA ASP A 33 73.350 -1.557 -13.146 1.00 0.14 C ATOM 527 C ASP A 33 74.258 -1.768 -11.936 1.00 0.13 C ATOM 528 O ASP A 33 73.855 -2.371 -10.960 1.00 0.14 O ATOM 529 CB ASP A 33 72.542 -0.268 -12.984 1.00 0.13 C ATOM 530 CG ASP A 33 71.752 0.028 -14.264 1.00 0.17 C ATOM 531 OD1 ASP A 33 72.156 -0.435 -15.321 1.00 1.12 O ATOM 532 OD2 ASP A 33 70.757 0.721 -14.162 1.00 1.07 O ATOM 0 H ASP A 33 71.397 -2.410 -12.920 1.00 0.15 H new ATOM 0 HA ASP A 33 73.989 -1.525 -14.028 1.00 0.14 H new ATOM 0 HB2 ASP A 33 71.859 -0.363 -12.140 1.00 0.13 H new ATOM 0 HB3 ASP A 33 73.211 0.563 -12.761 1.00 0.13 H new ATOM 537 N PHE A 34 75.436 -1.187 -11.949 1.00 0.12 N ATOM 538 CA PHE A 34 76.319 -1.253 -10.750 1.00 0.11 C ATOM 539 C PHE A 34 76.434 0.131 -10.123 1.00 0.10 C ATOM 540 O PHE A 34 76.655 1.106 -10.812 1.00 0.11 O ATOM 541 CB PHE A 34 77.678 -1.716 -11.273 1.00 0.12 C ATOM 542 CG PHE A 34 77.591 -3.162 -11.700 1.00 0.15 C ATOM 543 CD1 PHE A 34 77.195 -3.494 -13.039 1.00 0.17 C ATOM 544 CD2 PHE A 34 77.905 -4.204 -10.764 1.00 0.16 C ATOM 545 CE1 PHE A 34 77.114 -4.869 -13.442 1.00 0.20 C ATOM 546 CE2 PHE A 34 77.825 -5.578 -11.168 1.00 0.20 C ATOM 547 CZ PHE A 34 77.428 -5.911 -12.506 1.00 0.21 C ATOM 0 H PHE A 34 75.820 -0.671 -12.741 1.00 0.12 H new ATOM 0 HA PHE A 34 75.932 -1.928 -9.986 1.00 0.11 H new ATOM 0 HB2 PHE A 34 77.985 -1.096 -12.115 1.00 0.12 H new ATOM 0 HB3 PHE A 34 78.436 -1.600 -10.498 1.00 0.12 H new ATOM 0 HD1 PHE A 34 76.958 -2.710 -13.743 1.00 0.17 H new ATOM 0 HD2 PHE A 34 78.201 -3.954 -9.756 1.00 0.16 H new ATOM 0 HE1 PHE A 34 76.817 -5.120 -14.450 1.00 0.20 H new ATOM 0 HE2 PHE A 34 78.064 -6.362 -10.465 1.00 0.20 H new ATOM 0 HZ PHE A 34 77.365 -6.946 -12.809 1.00 0.21 H new ATOM 557 N VAL A 35 76.396 0.204 -8.819 1.00 0.09 N ATOM 558 CA VAL A 35 76.630 1.509 -8.133 1.00 0.09 C ATOM 559 C VAL A 35 77.673 1.320 -7.030 1.00 0.10 C ATOM 560 O VAL A 35 77.839 0.231 -6.512 1.00 0.10 O ATOM 561 CB VAL A 35 75.265 1.928 -7.568 1.00 0.11 C ATOM 562 CG1 VAL A 35 74.262 2.088 -8.719 1.00 0.12 C ATOM 563 CG2 VAL A 35 74.743 0.866 -6.597 1.00 0.15 C ATOM 0 H VAL A 35 76.213 -0.584 -8.198 1.00 0.09 H new ATOM 0 HA VAL A 35 77.016 2.279 -8.801 1.00 0.09 H new ATOM 0 HB VAL A 35 75.381 2.873 -7.038 1.00 0.11 H new ATOM 0 HG11 VAL A 35 73.293 2.385 -8.318 1.00 0.12 H new ATOM 0 HG12 VAL A 35 74.619 2.852 -9.409 1.00 0.12 H new ATOM 0 HG13 VAL A 35 74.161 1.140 -9.248 1.00 0.12 H new ATOM 0 HG21 VAL A 35 73.775 1.176 -6.204 1.00 0.15 H new ATOM 0 HG22 VAL A 35 74.635 -0.084 -7.121 1.00 0.15 H new ATOM 0 HG23 VAL A 35 75.447 0.748 -5.774 1.00 0.15 H new ATOM 573 N GLU A 36 78.384 2.363 -6.683 1.00 0.12 N ATOM 574 CA GLU A 36 79.433 2.246 -5.629 1.00 0.13 C ATOM 575 C GLU A 36 79.027 3.114 -4.455 1.00 0.13 C ATOM 576 O GLU A 36 78.605 4.236 -4.649 1.00 0.13 O ATOM 577 CB GLU A 36 80.717 2.767 -6.275 1.00 0.14 C ATOM 578 CG GLU A 36 81.887 2.591 -5.303 1.00 0.15 C ATOM 579 CD GLU A 36 83.157 3.212 -5.898 1.00 0.17 C ATOM 580 OE1 GLU A 36 83.035 4.168 -6.646 1.00 1.09 O ATOM 581 OE2 GLU A 36 84.230 2.722 -5.589 1.00 1.03 O ATOM 0 H GLU A 36 78.281 3.294 -7.087 1.00 0.12 H new ATOM 0 HA GLU A 36 79.568 1.227 -5.265 1.00 0.13 H new ATOM 0 HB2 GLU A 36 80.916 2.227 -7.201 1.00 0.14 H new ATOM 0 HB3 GLU A 36 80.604 3.819 -6.537 1.00 0.14 H new ATOM 0 HG2 GLU A 36 81.653 3.064 -4.349 1.00 0.15 H new ATOM 0 HG3 GLU A 36 82.049 1.532 -5.103 1.00 0.15 H new ATOM 588 N ILE A 37 78.926 2.528 -3.292 1.00 0.12 N ATOM 589 CA ILE A 37 78.269 3.243 -2.163 1.00 0.11 C ATOM 590 C ILE A 37 79.016 2.996 -0.847 1.00 0.11 C ATOM 591 O ILE A 37 79.705 2.005 -0.695 1.00 0.12 O ATOM 592 CB ILE A 37 76.851 2.658 -2.130 1.00 0.12 C ATOM 593 CG1 ILE A 37 76.028 3.346 -1.040 1.00 0.13 C ATOM 594 CG2 ILE A 37 76.904 1.149 -1.854 1.00 0.13 C ATOM 595 CD1 ILE A 37 74.531 3.188 -1.344 1.00 0.14 C ATOM 0 H ILE A 37 79.268 1.591 -3.077 1.00 0.12 H new ATOM 0 HA ILE A 37 78.265 4.325 -2.292 1.00 0.11 H new ATOM 0 HB ILE A 37 76.383 2.827 -3.100 1.00 0.12 H new ATOM 0 HG12 ILE A 37 76.259 2.911 -0.067 1.00 0.13 H new ATOM 0 HG13 ILE A 37 76.289 4.403 -0.987 1.00 0.13 H new ATOM 0 HG21 ILE A 37 75.891 0.747 -1.833 1.00 0.13 H new ATOM 0 HG22 ILE A 37 77.474 0.655 -2.641 1.00 0.13 H new ATOM 0 HG23 ILE A 37 77.384 0.972 -0.892 1.00 0.13 H new ATOM 0 HD11 ILE A 37 73.948 3.679 -0.565 1.00 0.14 H new ATOM 0 HD12 ILE A 37 74.305 3.643 -2.308 1.00 0.14 H new ATOM 0 HD13 ILE A 37 74.276 2.129 -1.375 1.00 0.14 H new ATOM 607 N LYS A 38 78.838 3.867 0.112 1.00 0.12 N ATOM 608 CA LYS A 38 79.484 3.672 1.445 1.00 0.13 C ATOM 609 C LYS A 38 78.472 3.902 2.570 1.00 0.13 C ATOM 610 O LYS A 38 77.608 4.748 2.469 1.00 0.14 O ATOM 611 CB LYS A 38 80.595 4.716 1.515 1.00 0.13 C ATOM 612 CG LYS A 38 81.489 4.404 2.713 1.00 0.18 C ATOM 613 CD LYS A 38 82.629 5.421 2.785 1.00 0.25 C ATOM 614 CE LYS A 38 83.588 5.037 3.915 1.00 1.03 C ATOM 615 NZ LYS A 38 83.951 6.328 4.566 1.00 1.11 N ATOM 0 H LYS A 38 78.270 4.710 0.029 1.00 0.12 H new ATOM 0 HA LYS A 38 79.868 2.659 1.562 1.00 0.13 H new ATOM 0 HB2 LYS A 38 81.180 4.707 0.595 1.00 0.13 H new ATOM 0 HB3 LYS A 38 80.169 5.715 1.612 1.00 0.13 H new ATOM 0 HG2 LYS A 38 80.904 4.433 3.632 1.00 0.18 H new ATOM 0 HG3 LYS A 38 81.893 3.396 2.624 1.00 0.18 H new ATOM 0 HD2 LYS A 38 83.163 5.452 1.835 1.00 0.25 H new ATOM 0 HD3 LYS A 38 82.229 6.420 2.958 1.00 0.25 H new ATOM 0 HE2 LYS A 38 83.113 4.358 4.623 1.00 1.03 H new ATOM 0 HE3 LYS A 38 84.471 4.528 3.528 1.00 1.03 H new ATOM 0 HZ1 LYS A 38 84.345 6.142 5.510 1.00 1.11 H new ATOM 0 HZ2 LYS A 38 84.660 6.822 3.987 1.00 1.11 H new ATOM 0 HZ3 LYS A 38 83.102 6.922 4.656 1.00 1.11 H new ATOM 629 N ILE A 39 78.600 3.171 3.651 1.00 0.14 N ATOM 630 CA ILE A 39 77.671 3.363 4.812 1.00 0.14 C ATOM 631 C ILE A 39 78.433 3.878 6.031 1.00 0.13 C ATOM 632 O ILE A 39 79.590 3.554 6.232 1.00 0.13 O ATOM 633 CB ILE A 39 77.080 1.978 5.116 1.00 0.16 C ATOM 634 CG1 ILE A 39 78.208 0.967 5.363 1.00 0.16 C ATOM 635 CG2 ILE A 39 76.215 1.517 3.944 1.00 0.17 C ATOM 636 CD1 ILE A 39 77.645 -0.275 6.054 1.00 0.20 C ATOM 0 H ILE A 39 79.308 2.448 3.781 1.00 0.14 H new ATOM 0 HA ILE A 39 76.897 4.094 4.578 1.00 0.14 H new ATOM 0 HB ILE A 39 76.463 2.044 6.012 1.00 0.16 H new ATOM 0 HG12 ILE A 39 78.674 0.689 4.418 1.00 0.16 H new ATOM 0 HG13 ILE A 39 78.985 1.418 5.981 1.00 0.16 H new ATOM 0 HG21 ILE A 39 75.798 0.534 4.164 1.00 0.17 H new ATOM 0 HG22 ILE A 39 75.404 2.229 3.788 1.00 0.17 H new ATOM 0 HG23 ILE A 39 76.825 1.459 3.042 1.00 0.17 H new ATOM 0 HD11 ILE A 39 78.449 -0.991 6.228 1.00 0.20 H new ATOM 0 HD12 ILE A 39 77.200 0.009 7.007 1.00 0.20 H new ATOM 0 HD13 ILE A 39 76.884 -0.731 5.420 1.00 0.20 H new ATOM 648 N VAL A 40 77.764 4.620 6.879 1.00 0.13 N ATOM 649 CA VAL A 40 78.404 5.099 8.140 1.00 0.12 C ATOM 650 C VAL A 40 77.407 4.995 9.300 1.00 0.16 C ATOM 651 O VAL A 40 76.348 5.595 9.274 1.00 0.20 O ATOM 652 CB VAL A 40 78.771 6.566 7.879 1.00 0.14 C ATOM 653 CG1 VAL A 40 79.471 7.150 9.112 1.00 0.15 C ATOM 654 CG2 VAL A 40 79.716 6.661 6.676 1.00 0.16 C ATOM 0 H VAL A 40 76.796 4.915 6.749 1.00 0.13 H new ATOM 0 HA VAL A 40 79.279 4.508 8.409 1.00 0.12 H new ATOM 0 HB VAL A 40 77.860 7.127 7.672 1.00 0.14 H new ATOM 0 HG11 VAL A 40 79.730 8.192 8.924 1.00 0.15 H new ATOM 0 HG12 VAL A 40 78.803 7.092 9.971 1.00 0.15 H new ATOM 0 HG13 VAL A 40 80.378 6.582 9.319 1.00 0.15 H new ATOM 0 HG21 VAL A 40 79.972 7.705 6.496 1.00 0.16 H new ATOM 0 HG22 VAL A 40 80.624 6.094 6.881 1.00 0.16 H new ATOM 0 HG23 VAL A 40 79.224 6.251 5.794 1.00 0.16 H new ATOM 664 N LYS A 41 77.791 4.321 10.353 1.00 0.17 N ATOM 665 CA LYS A 41 76.938 4.262 11.576 1.00 0.22 C ATOM 666 C LYS A 41 77.790 4.552 12.806 1.00 0.21 C ATOM 667 O LYS A 41 78.950 4.195 12.857 1.00 0.22 O ATOM 668 CB LYS A 41 76.401 2.835 11.637 1.00 0.28 C ATOM 669 CG LYS A 41 75.409 2.721 12.796 1.00 0.54 C ATOM 670 CD LYS A 41 74.980 1.263 12.966 1.00 1.11 C ATOM 671 CE LYS A 41 73.931 1.166 14.077 1.00 1.50 C ATOM 672 NZ LYS A 41 72.700 1.786 13.508 1.00 1.98 N ATOM 0 H LYS A 41 78.668 3.804 10.418 1.00 0.17 H new ATOM 0 HA LYS A 41 76.130 4.994 11.548 1.00 0.22 H new ATOM 0 HB2 LYS A 41 75.912 2.577 10.697 1.00 0.28 H new ATOM 0 HB3 LYS A 41 77.221 2.130 11.774 1.00 0.28 H new ATOM 0 HG2 LYS A 41 75.866 3.085 13.716 1.00 0.54 H new ATOM 0 HG3 LYS A 41 74.537 3.347 12.604 1.00 0.54 H new ATOM 0 HD2 LYS A 41 74.571 0.882 12.030 1.00 1.11 H new ATOM 0 HD3 LYS A 41 75.844 0.645 13.212 1.00 1.11 H new ATOM 0 HE2 LYS A 41 73.754 0.129 14.362 1.00 1.50 H new ATOM 0 HE3 LYS A 41 74.258 1.692 14.974 1.00 1.50 H new ATOM 0 HZ1 LYS A 41 71.868 1.453 14.036 1.00 1.98 H new ATOM 0 HZ2 LYS A 41 72.766 2.821 13.583 1.00 1.98 H new ATOM 0 HZ3 LYS A 41 72.606 1.516 12.508 1.00 1.98 H new ATOM 686 N TYR A 42 77.233 5.220 13.780 1.00 0.20 N ATOM 687 CA TYR A 42 78.023 5.568 15.002 1.00 0.20 C ATOM 688 C TYR A 42 77.619 4.670 16.174 1.00 0.27 C ATOM 689 O TYR A 42 76.452 4.569 16.509 1.00 0.33 O ATOM 690 CB TYR A 42 77.679 7.028 15.295 1.00 0.22 C ATOM 691 CG TYR A 42 78.640 7.571 16.323 1.00 0.21 C ATOM 692 CD1 TYR A 42 79.951 7.995 15.921 1.00 0.23 C ATOM 693 CD2 TYR A 42 78.245 7.666 17.700 1.00 0.23 C ATOM 694 CE1 TYR A 42 80.868 8.512 16.895 1.00 0.28 C ATOM 695 CE2 TYR A 42 79.163 8.182 18.674 1.00 0.25 C ATOM 696 CZ TYR A 42 80.474 8.606 18.272 1.00 0.28 C ATOM 697 OH TYR A 42 81.357 9.103 19.209 1.00 0.33 O ATOM 0 H TYR A 42 76.265 5.541 13.785 1.00 0.20 H new ATOM 0 HA TYR A 42 79.093 5.425 14.854 1.00 0.20 H new ATOM 0 HB2 TYR A 42 77.736 7.618 14.380 1.00 0.22 H new ATOM 0 HB3 TYR A 42 76.655 7.106 15.661 1.00 0.22 H new ATOM 0 HD1 TYR A 42 80.247 7.925 14.885 1.00 0.23 H new ATOM 0 HD2 TYR A 42 77.258 7.349 18.002 1.00 0.23 H new ATOM 0 HE1 TYR A 42 81.855 8.830 16.592 1.00 0.28 H new ATOM 0 HE2 TYR A 42 78.868 8.252 19.710 1.00 0.25 H new ATOM 0 HH TYR A 42 80.872 9.324 20.031 1.00 0.33 H new ATOM 707 N GLU A 43 78.580 4.064 16.832 1.00 0.29 N ATOM 708 CA GLU A 43 78.265 3.221 18.025 1.00 0.37 C ATOM 709 C GLU A 43 79.222 3.557 19.174 1.00 0.35 C ATOM 710 O GLU A 43 80.422 3.637 18.990 1.00 0.30 O ATOM 711 CB GLU A 43 78.446 1.771 17.559 1.00 0.44 C ATOM 712 CG GLU A 43 79.884 1.546 17.072 1.00 0.63 C ATOM 713 CD GLU A 43 80.024 0.123 16.526 1.00 0.80 C ATOM 714 OE1 GLU A 43 79.060 -0.375 15.966 1.00 1.48 O ATOM 715 OE2 GLU A 43 81.095 -0.443 16.673 1.00 1.34 O ATOM 0 H GLU A 43 79.570 4.119 16.592 1.00 0.29 H new ATOM 0 HA GLU A 43 77.255 3.393 18.398 1.00 0.37 H new ATOM 0 HB2 GLU A 43 78.220 1.088 18.378 1.00 0.44 H new ATOM 0 HB3 GLU A 43 77.743 1.549 16.756 1.00 0.44 H new ATOM 0 HG2 GLU A 43 80.134 2.270 16.296 1.00 0.63 H new ATOM 0 HG3 GLU A 43 80.585 1.702 17.892 1.00 0.63 H new ATOM 722 N GLY A 44 78.690 3.804 20.347 1.00 0.41 N ATOM 723 CA GLY A 44 79.549 4.193 21.508 1.00 0.41 C ATOM 724 C GLY A 44 80.312 5.482 21.181 1.00 0.37 C ATOM 725 O GLY A 44 79.731 6.462 20.751 1.00 0.37 O ATOM 0 H GLY A 44 77.692 3.752 20.550 1.00 0.41 H new ATOM 0 HA2 GLY A 44 78.933 4.339 22.395 1.00 0.41 H new ATOM 0 HA3 GLY A 44 80.252 3.392 21.737 1.00 0.41 H new ATOM 729 N GLU A 45 81.611 5.473 21.358 1.00 0.37 N ATOM 730 CA GLU A 45 82.430 6.683 21.034 1.00 0.37 C ATOM 731 C GLU A 45 83.222 6.497 19.725 1.00 0.34 C ATOM 732 O GLU A 45 84.156 7.234 19.462 1.00 0.36 O ATOM 733 CB GLU A 45 83.372 6.874 22.237 1.00 0.44 C ATOM 734 CG GLU A 45 84.367 5.707 22.350 1.00 0.45 C ATOM 735 CD GLU A 45 85.313 5.957 23.525 1.00 0.54 C ATOM 736 OE1 GLU A 45 86.142 6.845 23.414 1.00 1.27 O ATOM 737 OE2 GLU A 45 85.191 5.258 24.517 1.00 1.17 O ATOM 0 H GLU A 45 82.141 4.677 21.714 1.00 0.37 H new ATOM 0 HA GLU A 45 81.801 7.558 20.873 1.00 0.37 H new ATOM 0 HB2 GLU A 45 83.917 7.812 22.131 1.00 0.44 H new ATOM 0 HB3 GLU A 45 82.787 6.947 23.154 1.00 0.44 H new ATOM 0 HG2 GLU A 45 83.830 4.770 22.495 1.00 0.45 H new ATOM 0 HG3 GLU A 45 84.936 5.609 21.425 1.00 0.45 H new ATOM 744 N GLU A 46 82.894 5.499 18.930 1.00 0.31 N ATOM 745 CA GLU A 46 83.672 5.252 17.674 1.00 0.30 C ATOM 746 C GLU A 46 82.727 5.078 16.462 1.00 0.25 C ATOM 747 O GLU A 46 81.909 4.176 16.456 1.00 0.25 O ATOM 748 CB GLU A 46 84.468 3.964 17.941 1.00 0.38 C ATOM 749 CG GLU A 46 83.519 2.779 18.189 1.00 0.41 C ATOM 750 CD GLU A 46 83.976 1.989 19.420 1.00 0.63 C ATOM 751 OE1 GLU A 46 85.138 1.619 19.464 1.00 1.19 O ATOM 752 OE2 GLU A 46 83.156 1.768 20.295 1.00 1.37 O ATOM 0 H GLU A 46 82.125 4.850 19.098 1.00 0.31 H new ATOM 0 HA GLU A 46 84.325 6.090 17.430 1.00 0.30 H new ATOM 0 HB2 GLU A 46 85.114 3.747 17.090 1.00 0.38 H new ATOM 0 HB3 GLU A 46 85.116 4.104 18.806 1.00 0.38 H new ATOM 0 HG2 GLU A 46 82.502 3.142 18.337 1.00 0.41 H new ATOM 0 HG3 GLU A 46 83.501 2.128 17.315 1.00 0.41 H new ATOM 759 N PRO A 47 82.919 5.877 15.423 1.00 0.25 N ATOM 760 CA PRO A 47 82.135 5.685 14.180 1.00 0.21 C ATOM 761 C PRO A 47 82.661 4.467 13.406 1.00 0.27 C ATOM 762 O PRO A 47 83.852 4.337 13.182 1.00 0.34 O ATOM 763 CB PRO A 47 82.356 6.976 13.379 1.00 0.24 C ATOM 764 CG PRO A 47 83.210 7.866 14.235 1.00 0.33 C ATOM 765 CD PRO A 47 83.844 7.008 15.295 1.00 0.31 C ATOM 0 HA PRO A 47 81.079 5.500 14.375 1.00 0.21 H new ATOM 0 HB2 PRO A 47 82.847 6.764 12.429 1.00 0.24 H new ATOM 0 HB3 PRO A 47 81.405 7.456 13.147 1.00 0.24 H new ATOM 0 HG2 PRO A 47 83.974 8.357 13.633 1.00 0.33 H new ATOM 0 HG3 PRO A 47 82.608 8.653 14.689 1.00 0.33 H new ATOM 0 HD2 PRO A 47 84.841 6.679 15.001 1.00 0.31 H new ATOM 0 HD3 PRO A 47 83.951 7.547 16.236 1.00 0.31 H new ATOM 773 N LYS A 48 81.774 3.652 12.892 1.00 0.26 N ATOM 774 CA LYS A 48 82.197 2.525 12.004 1.00 0.35 C ATOM 775 C LYS A 48 81.739 2.799 10.570 1.00 0.28 C ATOM 776 O LYS A 48 80.646 3.286 10.350 1.00 0.24 O ATOM 777 CB LYS A 48 81.496 1.285 12.560 1.00 0.45 C ATOM 778 CG LYS A 48 81.943 1.040 14.001 1.00 0.60 C ATOM 779 CD LYS A 48 83.426 0.668 14.014 1.00 0.47 C ATOM 780 CE LYS A 48 83.831 0.213 15.419 1.00 0.48 C ATOM 781 NZ LYS A 48 83.808 -1.275 15.363 1.00 1.10 N ATOM 0 H LYS A 48 80.769 3.719 13.050 1.00 0.26 H new ATOM 0 HA LYS A 48 83.279 2.399 11.983 1.00 0.35 H new ATOM 0 HB2 LYS A 48 80.415 1.420 12.523 1.00 0.45 H new ATOM 0 HB3 LYS A 48 81.730 0.417 11.944 1.00 0.45 H new ATOM 0 HG2 LYS A 48 81.775 1.933 14.603 1.00 0.60 H new ATOM 0 HG3 LYS A 48 81.352 0.240 14.446 1.00 0.60 H new ATOM 0 HD2 LYS A 48 83.618 -0.128 13.294 1.00 0.47 H new ATOM 0 HD3 LYS A 48 84.028 1.524 13.711 1.00 0.47 H new ATOM 0 HE2 LYS A 48 84.822 0.583 15.684 1.00 0.48 H new ATOM 0 HE3 LYS A 48 83.138 0.591 16.171 1.00 0.48 H new ATOM 0 HZ1 LYS A 48 84.075 -1.661 16.291 1.00 1.10 H new ATOM 0 HZ2 LYS A 48 82.851 -1.598 15.116 1.00 1.10 H new ATOM 0 HZ3 LYS A 48 84.482 -1.606 14.643 1.00 1.10 H new ATOM 795 N GLU A 49 82.581 2.532 9.602 1.00 0.26 N ATOM 796 CA GLU A 49 82.217 2.825 8.182 1.00 0.20 C ATOM 797 C GLU A 49 82.584 1.650 7.274 1.00 0.19 C ATOM 798 O GLU A 49 83.367 0.792 7.639 1.00 0.21 O ATOM 799 CB GLU A 49 83.034 4.063 7.811 1.00 0.25 C ATOM 800 CG GLU A 49 82.629 5.237 8.712 1.00 0.80 C ATOM 801 CD GLU A 49 83.384 6.512 8.304 1.00 0.80 C ATOM 802 OE1 GLU A 49 84.404 6.402 7.639 1.00 1.42 O ATOM 803 OE2 GLU A 49 82.931 7.582 8.677 1.00 0.96 O ATOM 0 H GLU A 49 83.506 2.123 9.735 1.00 0.26 H new ATOM 0 HA GLU A 49 81.146 2.988 8.062 1.00 0.20 H new ATOM 0 HB2 GLU A 49 84.098 3.856 7.923 1.00 0.25 H new ATOM 0 HB3 GLU A 49 82.868 4.320 6.765 1.00 0.25 H new ATOM 0 HG2 GLU A 49 81.554 5.405 8.640 1.00 0.80 H new ATOM 0 HG3 GLU A 49 82.845 4.996 9.753 1.00 0.80 H new ATOM 810 N GLY A 50 82.040 1.628 6.084 1.00 0.16 N ATOM 811 CA GLY A 50 82.365 0.537 5.120 1.00 0.16 C ATOM 812 C GLY A 50 82.047 0.999 3.698 1.00 0.15 C ATOM 813 O GLY A 50 80.989 1.536 3.441 1.00 0.17 O ATOM 0 H GLY A 50 81.380 2.325 5.738 1.00 0.16 H new ATOM 0 HA2 GLY A 50 83.419 0.270 5.199 1.00 0.16 H new ATOM 0 HA3 GLY A 50 81.790 -0.357 5.360 1.00 0.16 H new ATOM 817 N THR A 51 82.930 0.732 2.765 1.00 0.14 N ATOM 818 CA THR A 51 82.655 1.088 1.340 1.00 0.14 C ATOM 819 C THR A 51 82.729 -0.167 0.470 1.00 0.13 C ATOM 820 O THR A 51 83.643 -0.963 0.605 1.00 0.15 O ATOM 821 CB THR A 51 83.766 2.063 0.939 1.00 0.16 C ATOM 822 OG1 THR A 51 83.991 2.990 1.990 1.00 0.18 O ATOM 823 CG2 THR A 51 83.351 2.815 -0.328 1.00 0.21 C ATOM 0 H THR A 51 83.830 0.282 2.931 1.00 0.14 H new ATOM 0 HA THR A 51 81.665 1.525 1.213 1.00 0.14 H new ATOM 0 HB THR A 51 84.684 1.507 0.748 1.00 0.16 H new ATOM 0 HG1 THR A 51 84.937 2.972 2.245 1.00 0.18 H new ATOM 0 HG21 THR A 51 84.141 3.509 -0.614 1.00 0.21 H new ATOM 0 HG22 THR A 51 83.184 2.102 -1.136 1.00 0.21 H new ATOM 0 HG23 THR A 51 82.432 3.370 -0.137 1.00 0.21 H new ATOM 831 N PHE A 52 81.815 -0.322 -0.458 1.00 0.12 N ATOM 832 CA PHE A 52 81.881 -1.496 -1.383 1.00 0.13 C ATOM 833 C PHE A 52 81.144 -1.199 -2.703 1.00 0.11 C ATOM 834 O PHE A 52 80.406 -0.236 -2.808 1.00 0.10 O ATOM 835 CB PHE A 52 81.241 -2.665 -0.596 1.00 0.14 C ATOM 836 CG PHE A 52 79.729 -2.531 -0.520 1.00 0.13 C ATOM 837 CD1 PHE A 52 79.127 -1.536 0.322 1.00 0.14 C ATOM 838 CD2 PHE A 52 78.904 -3.400 -1.307 1.00 0.13 C ATOM 839 CE1 PHE A 52 77.697 -1.414 0.374 1.00 0.16 C ATOM 840 CE2 PHE A 52 77.478 -3.277 -1.256 1.00 0.14 C ATOM 841 CZ PHE A 52 76.873 -2.285 -0.417 1.00 0.15 C ATOM 0 H PHE A 52 81.030 0.311 -0.614 1.00 0.12 H new ATOM 0 HA PHE A 52 82.902 -1.738 -1.678 1.00 0.13 H new ATOM 0 HB2 PHE A 52 81.499 -3.610 -1.074 1.00 0.14 H new ATOM 0 HB3 PHE A 52 81.655 -2.695 0.412 1.00 0.14 H new ATOM 0 HD1 PHE A 52 79.748 -0.881 0.915 1.00 0.14 H new ATOM 0 HD2 PHE A 52 79.358 -4.148 -1.939 1.00 0.13 H new ATOM 0 HE1 PHE A 52 77.241 -0.668 1.008 1.00 0.16 H new ATOM 0 HE2 PHE A 52 76.858 -3.932 -1.850 1.00 0.14 H new ATOM 0 HZ PHE A 52 75.798 -2.192 -0.379 1.00 0.15 H new ATOM 851 N THR A 53 81.250 -2.093 -3.656 1.00 0.12 N ATOM 852 CA THR A 53 80.458 -1.958 -4.915 1.00 0.11 C ATOM 853 C THR A 53 79.327 -2.987 -4.921 1.00 0.11 C ATOM 854 O THR A 53 79.490 -4.097 -4.444 1.00 0.12 O ATOM 855 CB THR A 53 81.448 -2.243 -6.045 1.00 0.11 C ATOM 856 OG1 THR A 53 82.550 -1.351 -5.943 1.00 0.13 O ATOM 857 CG2 THR A 53 80.755 -2.050 -7.396 1.00 0.11 C ATOM 0 H THR A 53 81.854 -2.914 -3.614 1.00 0.12 H new ATOM 0 HA THR A 53 80.004 -0.973 -5.019 1.00 0.11 H new ATOM 0 HB THR A 53 81.803 -3.271 -5.966 1.00 0.11 H new ATOM 0 HG1 THR A 53 83.186 -1.533 -6.666 1.00 0.13 H new ATOM 0 HG21 THR A 53 81.462 -2.254 -8.200 1.00 0.11 H new ATOM 0 HG22 THR A 53 79.911 -2.735 -7.473 1.00 0.11 H new ATOM 0 HG23 THR A 53 80.398 -1.024 -7.478 1.00 0.11 H new ATOM 865 N ALA A 54 78.164 -2.603 -5.389 1.00 0.11 N ATOM 866 CA ALA A 54 76.993 -3.528 -5.350 1.00 0.13 C ATOM 867 C ALA A 54 76.166 -3.398 -6.628 1.00 0.13 C ATOM 868 O ALA A 54 75.979 -2.314 -7.145 1.00 0.11 O ATOM 869 CB ALA A 54 76.176 -3.081 -4.133 1.00 0.14 C ATOM 0 H ALA A 54 77.977 -1.687 -5.797 1.00 0.11 H new ATOM 0 HA ALA A 54 77.297 -4.572 -5.278 1.00 0.13 H new ATOM 0 HB1 ALA A 54 75.294 -3.714 -4.034 1.00 0.14 H new ATOM 0 HB2 ALA A 54 76.786 -3.166 -3.234 1.00 0.14 H new ATOM 0 HB3 ALA A 54 75.866 -2.044 -4.264 1.00 0.14 H new ATOM 875 N ARG A 55 75.613 -4.491 -7.094 1.00 0.15 N ATOM 876 CA ARG A 55 74.722 -4.436 -8.288 1.00 0.15 C ATOM 877 C ARG A 55 73.268 -4.295 -7.836 1.00 0.15 C ATOM 878 O ARG A 55 72.872 -4.840 -6.821 1.00 0.16 O ATOM 879 CB ARG A 55 74.932 -5.763 -9.014 1.00 0.19 C ATOM 880 CG ARG A 55 74.419 -5.641 -10.451 1.00 0.27 C ATOM 881 CD ARG A 55 74.492 -7.007 -11.141 1.00 0.45 C ATOM 882 NE ARG A 55 74.308 -6.725 -12.603 1.00 0.90 N ATOM 883 CZ ARG A 55 74.542 -7.648 -13.522 1.00 1.48 C ATOM 884 NH1 ARG A 55 74.946 -8.859 -13.207 1.00 1.67 N ATOM 885 NH2 ARG A 55 74.364 -7.346 -14.780 1.00 2.21 N ATOM 0 H ARG A 55 75.743 -5.421 -6.695 1.00 0.15 H new ATOM 0 HA ARG A 55 74.947 -3.588 -8.935 1.00 0.15 H new ATOM 0 HB2 ARG A 55 75.990 -6.027 -9.015 1.00 0.19 H new ATOM 0 HB3 ARG A 55 74.404 -6.563 -8.494 1.00 0.19 H new ATOM 0 HG2 ARG A 55 73.392 -5.277 -10.451 1.00 0.27 H new ATOM 0 HG3 ARG A 55 75.016 -4.913 -11.000 1.00 0.27 H new ATOM 0 HD2 ARG A 55 75.450 -7.492 -10.952 1.00 0.45 H new ATOM 0 HD3 ARG A 55 73.717 -7.677 -10.769 1.00 0.45 H new ATOM 0 HE ARG A 55 73.995 -5.799 -12.896 1.00 0.90 H new ATOM 0 HH11 ARG A 55 75.088 -9.111 -12.229 1.00 1.67 H new ATOM 0 HH12 ARG A 55 75.117 -9.547 -13.941 1.00 1.67 H new ATOM 0 HH21 ARG A 55 74.050 -6.411 -15.041 1.00 2.21 H new ATOM 0 HH22 ARG A 55 74.539 -8.045 -15.502 1.00 2.21 H new ATOM 899 N VAL A 56 72.478 -3.566 -8.579 1.00 0.14 N ATOM 900 CA VAL A 56 71.045 -3.377 -8.202 1.00 0.14 C ATOM 901 C VAL A 56 70.239 -4.616 -8.588 1.00 0.15 C ATOM 902 O VAL A 56 70.236 -5.037 -9.730 1.00 0.17 O ATOM 903 CB VAL A 56 70.585 -2.143 -8.989 1.00 0.14 C ATOM 904 CG1 VAL A 56 69.087 -1.878 -8.754 1.00 0.14 C ATOM 905 CG2 VAL A 56 71.398 -0.932 -8.525 1.00 0.17 C ATOM 0 H VAL A 56 72.764 -3.091 -9.435 1.00 0.14 H new ATOM 0 HA VAL A 56 70.906 -3.237 -7.130 1.00 0.14 H new ATOM 0 HB VAL A 56 70.741 -2.318 -10.054 1.00 0.14 H new ATOM 0 HG11 VAL A 56 68.780 -0.999 -9.321 1.00 0.14 H new ATOM 0 HG12 VAL A 56 68.509 -2.742 -9.082 1.00 0.14 H new ATOM 0 HG13 VAL A 56 68.910 -1.705 -7.692 1.00 0.14 H new ATOM 0 HG21 VAL A 56 71.081 -0.047 -9.077 1.00 0.17 H new ATOM 0 HG22 VAL A 56 71.236 -0.772 -7.459 1.00 0.17 H new ATOM 0 HG23 VAL A 56 72.457 -1.113 -8.708 1.00 0.17 H new ATOM 915 N GLY A 57 69.540 -5.175 -7.639 1.00 0.16 N ATOM 916 CA GLY A 57 68.699 -6.372 -7.918 1.00 0.19 C ATOM 917 C GLY A 57 67.229 -5.963 -8.019 1.00 0.18 C ATOM 918 O GLY A 57 66.894 -4.792 -8.095 1.00 0.16 O ATOM 0 H GLY A 57 69.516 -4.850 -6.673 1.00 0.16 H new ATOM 0 HA2 GLY A 57 69.019 -6.844 -8.847 1.00 0.19 H new ATOM 0 HA3 GLY A 57 68.827 -7.110 -7.126 1.00 0.19 H new ATOM 922 N GLU A 58 66.351 -6.930 -8.010 1.00 0.21 N ATOM 923 CA GLU A 58 64.890 -6.628 -8.102 1.00 0.22 C ATOM 924 C GLU A 58 64.449 -5.784 -6.903 1.00 0.22 C ATOM 925 O GLU A 58 65.051 -5.820 -5.847 1.00 0.24 O ATOM 926 CB GLU A 58 64.192 -7.992 -8.086 1.00 0.27 C ATOM 927 CG GLU A 58 62.689 -7.808 -8.330 1.00 0.81 C ATOM 928 CD GLU A 58 61.952 -9.157 -8.245 1.00 0.80 C ATOM 929 OE1 GLU A 58 62.579 -10.155 -7.917 1.00 1.28 O ATOM 930 OE2 GLU A 58 60.761 -9.167 -8.510 1.00 1.39 O ATOM 0 H GLU A 58 66.582 -7.921 -7.943 1.00 0.21 H new ATOM 0 HA GLU A 58 64.645 -6.060 -8.999 1.00 0.22 H new ATOM 0 HB2 GLU A 58 64.618 -8.638 -8.854 1.00 0.27 H new ATOM 0 HB3 GLU A 58 64.357 -8.484 -7.127 1.00 0.27 H new ATOM 0 HG2 GLU A 58 62.278 -7.117 -7.594 1.00 0.81 H new ATOM 0 HG3 GLU A 58 62.527 -7.361 -9.311 1.00 0.81 H new ATOM 937 N GLN A 59 63.407 -5.008 -7.071 1.00 0.25 N ATOM 938 CA GLN A 59 62.898 -4.134 -5.964 1.00 0.30 C ATOM 939 C GLN A 59 64.004 -3.237 -5.383 1.00 0.23 C ATOM 940 O GLN A 59 63.814 -2.642 -4.336 1.00 0.23 O ATOM 941 CB GLN A 59 62.369 -5.094 -4.892 1.00 0.37 C ATOM 942 CG GLN A 59 61.025 -5.669 -5.344 1.00 0.46 C ATOM 943 CD GLN A 59 60.533 -6.686 -4.316 1.00 0.56 C ATOM 944 OE1 GLN A 59 59.996 -6.321 -3.288 1.00 0.82 O ATOM 945 NE2 GLN A 59 60.693 -7.960 -4.551 1.00 0.81 N ATOM 0 H GLN A 59 62.878 -4.941 -7.941 1.00 0.25 H new ATOM 0 HA GLN A 59 62.126 -3.457 -6.330 1.00 0.30 H new ATOM 0 HB2 GLN A 59 63.084 -5.900 -4.725 1.00 0.37 H new ATOM 0 HB3 GLN A 59 62.252 -4.569 -3.944 1.00 0.37 H new ATOM 0 HG2 GLN A 59 60.294 -4.868 -5.457 1.00 0.46 H new ATOM 0 HG3 GLN A 59 61.130 -6.144 -6.319 1.00 0.46 H new ATOM 0 HE21 GLN A 59 61.143 -8.267 -5.413 1.00 0.81 H new ATOM 0 HE22 GLN A 59 60.368 -8.649 -3.872 1.00 0.81 H new ATOM 954 N GLY A 60 65.073 -2.997 -6.117 1.00 0.19 N ATOM 955 CA GLY A 60 66.073 -1.974 -5.666 1.00 0.16 C ATOM 956 C GLY A 60 66.907 -2.506 -4.495 1.00 0.12 C ATOM 957 O GLY A 60 67.442 -1.733 -3.716 1.00 0.12 O ATOM 0 H GLY A 60 65.292 -3.461 -6.999 1.00 0.19 H new ATOM 0 HA2 GLY A 60 66.729 -1.710 -6.495 1.00 0.16 H new ATOM 0 HA3 GLY A 60 65.557 -1.062 -5.366 1.00 0.16 H new ATOM 961 N SER A 61 66.965 -3.806 -4.319 1.00 0.14 N ATOM 962 CA SER A 61 67.709 -4.374 -3.153 1.00 0.16 C ATOM 963 C SER A 61 69.217 -4.352 -3.423 1.00 0.15 C ATOM 964 O SER A 61 69.660 -4.619 -4.525 1.00 0.18 O ATOM 965 CB SER A 61 67.212 -5.815 -3.016 1.00 0.21 C ATOM 966 OG SER A 61 65.791 -5.820 -2.984 1.00 1.30 O ATOM 0 H SER A 61 66.530 -4.495 -4.932 1.00 0.14 H new ATOM 0 HA SER A 61 67.539 -3.799 -2.243 1.00 0.16 H new ATOM 0 HB2 SER A 61 67.571 -6.417 -3.851 1.00 0.21 H new ATOM 0 HB3 SER A 61 67.609 -6.264 -2.106 1.00 0.21 H new ATOM 0 HG SER A 61 65.443 -5.819 -3.900 1.00 1.30 H new ATOM 972 N VAL A 62 70.002 -4.131 -2.400 1.00 0.14 N ATOM 973 CA VAL A 62 71.488 -4.204 -2.543 1.00 0.15 C ATOM 974 C VAL A 62 72.087 -4.922 -1.325 1.00 0.14 C ATOM 975 O VAL A 62 71.525 -4.884 -0.246 1.00 0.14 O ATOM 976 CB VAL A 62 71.957 -2.744 -2.624 1.00 0.17 C ATOM 977 CG1 VAL A 62 71.557 -1.987 -1.354 1.00 0.17 C ATOM 978 CG2 VAL A 62 73.479 -2.704 -2.778 1.00 0.21 C ATOM 0 H VAL A 62 69.674 -3.901 -1.462 1.00 0.14 H new ATOM 0 HA VAL A 62 71.803 -4.764 -3.424 1.00 0.15 H new ATOM 0 HB VAL A 62 71.485 -2.270 -3.485 1.00 0.17 H new ATOM 0 HG11 VAL A 62 71.896 -0.953 -1.425 1.00 0.17 H new ATOM 0 HG12 VAL A 62 70.473 -2.007 -1.245 1.00 0.17 H new ATOM 0 HG13 VAL A 62 72.018 -2.461 -0.487 1.00 0.17 H new ATOM 0 HG21 VAL A 62 73.812 -1.668 -2.836 1.00 0.21 H new ATOM 0 HG22 VAL A 62 73.944 -3.187 -1.919 1.00 0.21 H new ATOM 0 HG23 VAL A 62 73.766 -3.228 -3.689 1.00 0.21 H new ATOM 988 N ILE A 63 73.154 -5.664 -1.518 1.00 0.16 N ATOM 989 CA ILE A 63 73.710 -6.492 -0.397 1.00 0.17 C ATOM 990 C ILE A 63 75.061 -5.936 0.068 1.00 0.16 C ATOM 991 O ILE A 63 76.023 -5.927 -0.679 1.00 0.19 O ATOM 992 CB ILE A 63 73.894 -7.902 -0.980 1.00 0.23 C ATOM 993 CG1 ILE A 63 72.572 -8.427 -1.574 1.00 0.26 C ATOM 994 CG2 ILE A 63 74.367 -8.852 0.124 1.00 0.26 C ATOM 995 CD1 ILE A 63 71.473 -8.456 -0.505 1.00 0.34 C ATOM 0 H ILE A 63 73.662 -5.732 -2.400 1.00 0.16 H new ATOM 0 HA ILE A 63 73.047 -6.489 0.468 1.00 0.17 H new ATOM 0 HB ILE A 63 74.638 -7.854 -1.775 1.00 0.23 H new ATOM 0 HG12 ILE A 63 72.263 -7.792 -2.404 1.00 0.26 H new ATOM 0 HG13 ILE A 63 72.721 -9.429 -1.977 1.00 0.26 H new ATOM 0 HG21 ILE A 63 74.498 -9.852 -0.288 1.00 0.26 H new ATOM 0 HG22 ILE A 63 75.316 -8.498 0.526 1.00 0.26 H new ATOM 0 HG23 ILE A 63 73.624 -8.882 0.921 1.00 0.26 H new ATOM 0 HD11 ILE A 63 70.548 -8.829 -0.944 1.00 0.34 H new ATOM 0 HD12 ILE A 63 71.777 -9.111 0.312 1.00 0.34 H new ATOM 0 HD13 ILE A 63 71.312 -7.448 -0.122 1.00 0.34 H new ATOM 1007 N ILE A 64 75.171 -5.608 1.334 1.00 0.15 N ATOM 1008 CA ILE A 64 76.499 -5.211 1.904 1.00 0.16 C ATOM 1009 C ILE A 64 77.341 -6.473 2.179 1.00 0.18 C ATOM 1010 O ILE A 64 76.801 -7.481 2.578 1.00 0.20 O ATOM 1011 CB ILE A 64 76.173 -4.477 3.212 1.00 0.19 C ATOM 1012 CG1 ILE A 64 75.307 -3.251 2.911 1.00 0.17 C ATOM 1013 CG2 ILE A 64 77.471 -4.023 3.886 1.00 0.34 C ATOM 1014 CD1 ILE A 64 74.751 -2.686 4.218 1.00 0.32 C ATOM 0 H ILE A 64 74.397 -5.598 1.998 1.00 0.15 H new ATOM 0 HA ILE A 64 77.075 -4.580 1.226 1.00 0.16 H new ATOM 0 HB ILE A 64 75.634 -5.152 3.876 1.00 0.19 H new ATOM 0 HG12 ILE A 64 75.898 -2.493 2.397 1.00 0.17 H new ATOM 0 HG13 ILE A 64 74.490 -3.525 2.244 1.00 0.17 H new ATOM 0 HG21 ILE A 64 77.236 -3.502 4.814 1.00 0.34 H new ATOM 0 HG22 ILE A 64 78.091 -4.893 4.105 1.00 0.34 H new ATOM 0 HG23 ILE A 64 78.011 -3.351 3.220 1.00 0.34 H new ATOM 0 HD11 ILE A 64 74.134 -1.813 4.004 1.00 0.32 H new ATOM 0 HD12 ILE A 64 74.146 -3.445 4.714 1.00 0.32 H new ATOM 0 HD13 ILE A 64 75.576 -2.397 4.869 1.00 0.32 H new ATOM 1026 N PRO A 65 78.638 -6.395 1.954 1.00 0.19 N ATOM 1027 CA PRO A 65 79.516 -7.583 2.182 1.00 0.23 C ATOM 1028 C PRO A 65 79.535 -7.968 3.667 1.00 0.26 C ATOM 1029 O PRO A 65 79.695 -7.132 4.536 1.00 0.23 O ATOM 1030 CB PRO A 65 80.886 -7.090 1.719 1.00 0.26 C ATOM 1031 CG PRO A 65 80.810 -5.616 1.914 1.00 0.24 C ATOM 1032 CD PRO A 65 79.423 -5.237 1.489 1.00 0.21 C ATOM 0 HA PRO A 65 79.184 -8.477 1.654 1.00 0.23 H new ATOM 0 HB2 PRO A 65 81.691 -7.531 2.307 1.00 0.26 H new ATOM 0 HB3 PRO A 65 81.074 -7.348 0.677 1.00 0.26 H new ATOM 0 HG2 PRO A 65 80.991 -5.346 2.954 1.00 0.24 H new ATOM 0 HG3 PRO A 65 81.561 -5.100 1.315 1.00 0.24 H new ATOM 0 HD2 PRO A 65 79.093 -4.307 1.952 1.00 0.21 H new ATOM 0 HD3 PRO A 65 79.349 -5.100 0.410 1.00 0.21 H new ATOM 1040 N LYS A 66 79.381 -9.238 3.958 1.00 0.41 N ATOM 1041 CA LYS A 66 79.390 -9.707 5.386 1.00 0.51 C ATOM 1042 C LYS A 66 80.671 -9.263 6.097 1.00 0.44 C ATOM 1043 O LYS A 66 80.670 -8.989 7.283 1.00 0.42 O ATOM 1044 CB LYS A 66 79.327 -11.235 5.312 1.00 0.69 C ATOM 1045 CG LYS A 66 79.200 -11.810 6.724 1.00 0.96 C ATOM 1046 CD LYS A 66 79.199 -13.339 6.656 1.00 1.31 C ATOM 1047 CE LYS A 66 78.920 -13.912 8.047 1.00 1.89 C ATOM 1048 NZ LYS A 66 77.450 -14.157 8.074 1.00 2.62 N ATOM 0 H LYS A 66 79.249 -9.976 3.266 1.00 0.41 H new ATOM 0 HA LYS A 66 78.556 -9.289 5.950 1.00 0.51 H new ATOM 0 HB2 LYS A 66 78.477 -11.545 4.704 1.00 0.69 H new ATOM 0 HB3 LYS A 66 80.224 -11.623 4.829 1.00 0.69 H new ATOM 0 HG2 LYS A 66 80.027 -11.464 7.345 1.00 0.96 H new ATOM 0 HG3 LYS A 66 78.281 -11.456 7.191 1.00 0.96 H new ATOM 0 HD2 LYS A 66 78.441 -13.682 5.951 1.00 1.31 H new ATOM 0 HD3 LYS A 66 80.161 -13.698 6.289 1.00 1.31 H new ATOM 0 HE2 LYS A 66 79.477 -14.834 8.213 1.00 1.89 H new ATOM 0 HE3 LYS A 66 79.218 -13.214 8.829 1.00 1.89 H new ATOM 0 HZ1 LYS A 66 77.181 -14.551 8.998 1.00 2.62 H new ATOM 0 HZ2 LYS A 66 76.946 -13.261 7.920 1.00 2.62 H new ATOM 0 HZ3 LYS A 66 77.196 -14.831 7.323 1.00 2.62 H new ATOM 1062 N ALA A 67 81.766 -9.213 5.379 1.00 0.43 N ATOM 1063 CA ALA A 67 83.070 -8.817 6.006 1.00 0.40 C ATOM 1064 C ALA A 67 82.960 -7.417 6.618 1.00 0.30 C ATOM 1065 O ALA A 67 83.480 -7.154 7.690 1.00 0.28 O ATOM 1066 CB ALA A 67 84.089 -8.822 4.864 1.00 0.45 C ATOM 0 H ALA A 67 81.815 -9.429 4.383 1.00 0.43 H new ATOM 0 HA ALA A 67 83.359 -9.496 6.808 1.00 0.40 H new ATOM 0 HB1 ALA A 67 85.069 -8.541 5.250 1.00 0.45 H new ATOM 0 HB2 ALA A 67 84.143 -9.820 4.429 1.00 0.45 H new ATOM 0 HB3 ALA A 67 83.782 -8.109 4.099 1.00 0.45 H new ATOM 1072 N LEU A 68 82.252 -6.534 5.959 1.00 0.27 N ATOM 1073 CA LEU A 68 82.068 -5.157 6.508 1.00 0.23 C ATOM 1074 C LEU A 68 81.030 -5.162 7.630 1.00 0.22 C ATOM 1075 O LEU A 68 81.146 -4.410 8.579 1.00 0.22 O ATOM 1076 CB LEU A 68 81.598 -4.293 5.330 1.00 0.28 C ATOM 1077 CG LEU A 68 82.737 -4.116 4.313 1.00 0.99 C ATOM 1078 CD1 LEU A 68 82.248 -3.253 3.148 1.00 1.24 C ATOM 1079 CD2 LEU A 68 83.933 -3.421 4.976 1.00 1.82 C ATOM 0 H LEU A 68 81.794 -6.708 5.065 1.00 0.27 H new ATOM 0 HA LEU A 68 82.992 -4.769 6.938 1.00 0.23 H new ATOM 0 HB2 LEU A 68 80.739 -4.760 4.847 1.00 0.28 H new ATOM 0 HB3 LEU A 68 81.270 -3.319 5.692 1.00 0.28 H new ATOM 0 HG LEU A 68 83.043 -5.098 3.951 1.00 0.99 H new ATOM 0 HD11 LEU A 68 83.054 -3.126 2.426 1.00 1.24 H new ATOM 0 HD12 LEU A 68 81.401 -3.740 2.665 1.00 1.24 H new ATOM 0 HD13 LEU A 68 81.940 -2.277 3.523 1.00 1.24 H new ATOM 0 HD21 LEU A 68 84.734 -3.301 4.247 1.00 1.82 H new ATOM 0 HD22 LEU A 68 83.627 -2.442 5.344 1.00 1.82 H new ATOM 0 HD23 LEU A 68 84.289 -4.026 5.810 1.00 1.82 H new ATOM 1091 N ARG A 69 80.033 -6.021 7.554 1.00 0.25 N ATOM 1092 CA ARG A 69 79.008 -6.080 8.653 1.00 0.28 C ATOM 1093 C ARG A 69 79.696 -6.373 9.990 1.00 0.25 C ATOM 1094 O ARG A 69 79.360 -5.805 11.012 1.00 0.26 O ATOM 1095 CB ARG A 69 78.089 -7.266 8.332 1.00 0.35 C ATOM 1096 CG ARG A 69 77.453 -7.146 6.946 1.00 0.46 C ATOM 1097 CD ARG A 69 76.378 -8.235 6.825 1.00 0.56 C ATOM 1098 NE ARG A 69 76.316 -8.601 5.373 1.00 0.98 N ATOM 1099 CZ ARG A 69 75.876 -9.785 4.974 1.00 1.92 C ATOM 1100 NH1 ARG A 69 75.433 -10.690 5.821 1.00 2.53 N ATOM 1101 NH2 ARG A 69 75.866 -10.059 3.699 1.00 2.30 N ATOM 0 H ARG A 69 79.886 -6.677 6.787 1.00 0.25 H new ATOM 0 HA ARG A 69 78.466 -5.137 8.721 1.00 0.28 H new ATOM 0 HB2 ARG A 69 78.661 -8.192 8.388 1.00 0.35 H new ATOM 0 HB3 ARG A 69 77.304 -7.330 9.086 1.00 0.35 H new ATOM 0 HG2 ARG A 69 77.012 -6.158 6.813 1.00 0.46 H new ATOM 0 HG3 ARG A 69 78.207 -7.266 6.168 1.00 0.46 H new ATOM 0 HD2 ARG A 69 76.632 -9.102 7.435 1.00 0.56 H new ATOM 0 HD3 ARG A 69 75.413 -7.870 7.176 1.00 0.56 H new ATOM 0 HE ARG A 69 76.620 -7.922 4.675 1.00 0.98 H new ATOM 0 HH11 ARG A 69 75.421 -10.490 6.821 1.00 2.53 H new ATOM 0 HH12 ARG A 69 75.102 -11.591 5.477 1.00 2.53 H new ATOM 0 HH21 ARG A 69 76.194 -9.366 3.026 1.00 2.30 H new ATOM 0 HH22 ARG A 69 75.530 -10.966 3.375 1.00 2.30 H new ATOM 1115 N ASP A 70 80.592 -7.328 9.986 1.00 0.25 N ATOM 1116 CA ASP A 70 81.244 -7.762 11.259 1.00 0.25 C ATOM 1117 C ASP A 70 82.190 -6.678 11.771 1.00 0.22 C ATOM 1118 O ASP A 70 82.169 -6.331 12.936 1.00 0.22 O ATOM 1119 CB ASP A 70 82.028 -9.031 10.906 1.00 0.27 C ATOM 1120 CG ASP A 70 82.573 -9.680 12.182 1.00 0.91 C ATOM 1121 OD1 ASP A 70 81.944 -9.535 13.218 1.00 1.56 O ATOM 1122 OD2 ASP A 70 83.610 -10.319 12.100 1.00 1.68 O ATOM 0 H ASP A 70 80.901 -7.828 9.152 1.00 0.25 H new ATOM 0 HA ASP A 70 80.512 -7.944 12.046 1.00 0.25 H new ATOM 0 HB2 ASP A 70 81.382 -9.733 10.378 1.00 0.27 H new ATOM 0 HB3 ASP A 70 82.850 -8.786 10.233 1.00 0.27 H new ATOM 1127 N VAL A 71 83.025 -6.149 10.910 1.00 0.21 N ATOM 1128 CA VAL A 71 84.008 -5.105 11.354 1.00 0.21 C ATOM 1129 C VAL A 71 83.258 -3.887 11.909 1.00 0.21 C ATOM 1130 O VAL A 71 83.712 -3.239 12.835 1.00 0.22 O ATOM 1131 CB VAL A 71 84.797 -4.739 10.085 1.00 0.23 C ATOM 1132 CG1 VAL A 71 85.769 -3.590 10.371 1.00 0.21 C ATOM 1133 CG2 VAL A 71 85.589 -5.962 9.614 1.00 0.28 C ATOM 0 H VAL A 71 83.070 -6.393 9.921 1.00 0.21 H new ATOM 0 HA VAL A 71 84.668 -5.457 12.147 1.00 0.21 H new ATOM 0 HB VAL A 71 84.096 -4.424 9.312 1.00 0.23 H new ATOM 0 HG11 VAL A 71 86.319 -3.344 9.463 1.00 0.21 H new ATOM 0 HG12 VAL A 71 85.211 -2.716 10.705 1.00 0.21 H new ATOM 0 HG13 VAL A 71 86.470 -3.892 11.149 1.00 0.21 H new ATOM 0 HG21 VAL A 71 86.150 -5.708 8.715 1.00 0.28 H new ATOM 0 HG22 VAL A 71 86.280 -6.272 10.398 1.00 0.28 H new ATOM 0 HG23 VAL A 71 84.901 -6.778 9.394 1.00 0.28 H new ATOM 1143 N ILE A 72 82.158 -3.539 11.301 1.00 0.21 N ATOM 1144 CA ILE A 72 81.406 -2.318 11.727 1.00 0.22 C ATOM 1145 C ILE A 72 80.496 -2.625 12.934 1.00 0.22 C ATOM 1146 O ILE A 72 80.123 -1.727 13.668 1.00 0.23 O ATOM 1147 CB ILE A 72 80.579 -1.908 10.497 1.00 0.24 C ATOM 1148 CG1 ILE A 72 81.519 -1.637 9.314 1.00 0.25 C ATOM 1149 CG2 ILE A 72 79.786 -0.631 10.800 1.00 0.27 C ATOM 1150 CD1 ILE A 72 80.696 -1.383 8.050 1.00 0.28 C ATOM 0 H ILE A 72 81.742 -4.049 10.522 1.00 0.21 H new ATOM 0 HA ILE A 72 82.073 -1.519 12.050 1.00 0.22 H new ATOM 0 HB ILE A 72 79.890 -2.716 10.250 1.00 0.24 H new ATOM 0 HG12 ILE A 72 82.150 -0.774 9.528 1.00 0.25 H new ATOM 0 HG13 ILE A 72 82.183 -2.488 9.162 1.00 0.25 H new ATOM 0 HG21 ILE A 72 79.203 -0.348 9.923 1.00 0.27 H new ATOM 0 HG22 ILE A 72 79.115 -0.810 11.640 1.00 0.27 H new ATOM 0 HG23 ILE A 72 80.476 0.174 11.053 1.00 0.27 H new ATOM 0 HD11 ILE A 72 81.366 -1.191 7.212 1.00 0.28 H new ATOM 0 HD12 ILE A 72 80.084 -2.258 7.832 1.00 0.28 H new ATOM 0 HD13 ILE A 72 80.050 -0.518 8.204 1.00 0.28 H new ATOM 1162 N GLY A 73 80.213 -3.885 13.201 1.00 0.21 N ATOM 1163 CA GLY A 73 79.415 -4.233 14.420 1.00 0.21 C ATOM 1164 C GLY A 73 77.932 -3.940 14.170 1.00 0.20 C ATOM 1165 O GLY A 73 77.241 -3.436 15.037 1.00 0.22 O ATOM 0 H GLY A 73 80.500 -4.679 12.629 1.00 0.21 H new ATOM 0 HA2 GLY A 73 79.551 -5.286 14.666 1.00 0.21 H new ATOM 0 HA3 GLY A 73 79.770 -3.657 15.275 1.00 0.21 H new ATOM 1169 N ILE A 74 77.471 -4.148 12.960 1.00 0.20 N ATOM 1170 CA ILE A 74 76.064 -3.767 12.607 1.00 0.21 C ATOM 1171 C ILE A 74 75.106 -4.940 12.857 1.00 0.21 C ATOM 1172 O ILE A 74 75.462 -6.091 12.690 1.00 0.23 O ATOM 1173 CB ILE A 74 76.099 -3.410 11.114 1.00 0.24 C ATOM 1174 CG1 ILE A 74 77.128 -2.293 10.850 1.00 0.27 C ATOM 1175 CG2 ILE A 74 74.713 -2.939 10.667 1.00 0.27 C ATOM 1176 CD1 ILE A 74 76.794 -1.039 11.673 1.00 0.77 C ATOM 0 H ILE A 74 78.008 -4.566 12.200 1.00 0.20 H new ATOM 0 HA ILE A 74 75.707 -2.935 13.215 1.00 0.21 H new ATOM 0 HB ILE A 74 76.388 -4.297 10.550 1.00 0.24 H new ATOM 0 HG12 ILE A 74 78.128 -2.645 11.105 1.00 0.27 H new ATOM 0 HG13 ILE A 74 77.138 -2.045 9.789 1.00 0.27 H new ATOM 0 HG21 ILE A 74 74.739 -2.686 9.607 1.00 0.27 H new ATOM 0 HG22 ILE A 74 73.987 -3.735 10.832 1.00 0.27 H new ATOM 0 HG23 ILE A 74 74.424 -2.060 11.243 1.00 0.27 H new ATOM 0 HD11 ILE A 74 77.533 -0.264 11.471 1.00 0.77 H new ATOM 0 HD12 ILE A 74 75.803 -0.676 11.398 1.00 0.77 H new ATOM 0 HD13 ILE A 74 76.808 -1.286 12.735 1.00 0.77 H new ATOM 1188 N LYS A 75 73.906 -4.645 13.298 1.00 0.22 N ATOM 1189 CA LYS A 75 72.923 -5.725 13.617 1.00 0.24 C ATOM 1190 C LYS A 75 71.556 -5.427 12.967 1.00 0.24 C ATOM 1191 O LYS A 75 71.301 -4.308 12.560 1.00 0.23 O ATOM 1192 CB LYS A 75 72.804 -5.710 15.141 1.00 0.29 C ATOM 1193 CG LYS A 75 74.088 -6.268 15.760 1.00 1.19 C ATOM 1194 CD LYS A 75 74.376 -5.545 17.077 1.00 1.71 C ATOM 1195 CE LYS A 75 75.246 -6.434 17.969 1.00 2.52 C ATOM 1196 NZ LYS A 75 75.276 -5.744 19.288 1.00 3.21 N ATOM 0 H LYS A 75 73.565 -3.696 13.451 1.00 0.22 H new ATOM 0 HA LYS A 75 73.244 -6.695 13.237 1.00 0.24 H new ATOM 0 HB2 LYS A 75 72.631 -4.693 15.493 1.00 0.29 H new ATOM 0 HB3 LYS A 75 71.947 -6.306 15.455 1.00 0.29 H new ATOM 0 HG2 LYS A 75 73.984 -7.339 15.936 1.00 1.19 H new ATOM 0 HG3 LYS A 75 74.923 -6.138 15.071 1.00 1.19 H new ATOM 0 HD2 LYS A 75 74.883 -4.600 16.882 1.00 1.71 H new ATOM 0 HD3 LYS A 75 73.442 -5.306 17.585 1.00 1.71 H new ATOM 0 HE2 LYS A 75 74.826 -7.436 18.057 1.00 2.52 H new ATOM 0 HE3 LYS A 75 76.250 -6.544 17.558 1.00 2.52 H new ATOM 0 HZ1 LYS A 75 75.855 -6.294 19.955 1.00 3.21 H new ATOM 0 HZ2 LYS A 75 75.687 -4.795 19.174 1.00 3.21 H new ATOM 0 HZ3 LYS A 75 74.308 -5.660 19.658 1.00 3.21 H new ATOM 1210 N PRO A 76 70.705 -6.436 12.878 1.00 0.25 N ATOM 1211 CA PRO A 76 69.370 -6.234 12.254 1.00 0.26 C ATOM 1212 C PRO A 76 68.569 -5.168 13.011 1.00 0.24 C ATOM 1213 O PRO A 76 68.452 -5.211 14.222 1.00 0.23 O ATOM 1214 CB PRO A 76 68.688 -7.600 12.362 1.00 0.29 C ATOM 1215 CG PRO A 76 69.490 -8.380 13.357 1.00 0.50 C ATOM 1216 CD PRO A 76 70.886 -7.824 13.335 1.00 0.28 C ATOM 0 HA PRO A 76 69.444 -5.885 11.224 1.00 0.26 H new ATOM 0 HB2 PRO A 76 67.654 -7.496 12.690 1.00 0.29 H new ATOM 0 HB3 PRO A 76 68.667 -8.104 11.396 1.00 0.29 H new ATOM 0 HG2 PRO A 76 69.057 -8.293 14.353 1.00 0.50 H new ATOM 0 HG3 PRO A 76 69.494 -9.440 13.102 1.00 0.50 H new ATOM 0 HD2 PRO A 76 71.348 -7.863 14.322 1.00 0.28 H new ATOM 0 HD3 PRO A 76 71.530 -8.387 12.659 1.00 0.28 H new ATOM 1224 N GLY A 77 67.954 -4.259 12.292 1.00 0.24 N ATOM 1225 CA GLY A 77 67.080 -3.234 12.942 1.00 0.24 C ATOM 1226 C GLY A 77 67.876 -1.960 13.282 1.00 0.22 C ATOM 1227 O GLY A 77 67.323 -1.018 13.821 1.00 0.24 O ATOM 0 H GLY A 77 68.021 -4.184 11.277 1.00 0.24 H new ATOM 0 HA2 GLY A 77 66.253 -2.983 12.278 1.00 0.24 H new ATOM 0 HA3 GLY A 77 66.644 -3.648 13.851 1.00 0.24 H new ATOM 1231 N GLU A 78 69.156 -1.909 12.967 1.00 0.20 N ATOM 1232 CA GLU A 78 69.961 -0.681 13.267 1.00 0.20 C ATOM 1233 C GLU A 78 70.060 0.208 12.032 1.00 0.18 C ATOM 1234 O GLU A 78 70.254 -0.274 10.930 1.00 0.18 O ATOM 1235 CB GLU A 78 71.338 -1.188 13.692 1.00 0.20 C ATOM 1236 CG GLU A 78 71.362 -1.355 15.215 1.00 0.22 C ATOM 1237 CD GLU A 78 72.774 -1.725 15.687 1.00 0.23 C ATOM 1238 OE1 GLU A 78 73.527 -2.267 14.895 1.00 1.07 O ATOM 1239 OE2 GLU A 78 73.077 -1.457 16.839 1.00 1.11 O ATOM 0 H GLU A 78 69.673 -2.664 12.517 1.00 0.20 H new ATOM 0 HA GLU A 78 69.503 -0.074 14.048 1.00 0.20 H new ATOM 0 HB2 GLU A 78 71.555 -2.139 13.206 1.00 0.20 H new ATOM 0 HB3 GLU A 78 72.111 -0.486 13.378 1.00 0.20 H new ATOM 0 HG2 GLU A 78 71.042 -0.430 15.694 1.00 0.22 H new ATOM 0 HG3 GLU A 78 70.656 -2.130 15.514 1.00 0.22 H new ATOM 1246 N VAL A 79 69.813 1.485 12.197 1.00 0.19 N ATOM 1247 CA VAL A 79 69.745 2.396 11.015 1.00 0.18 C ATOM 1248 C VAL A 79 71.101 3.060 10.740 1.00 0.18 C ATOM 1249 O VAL A 79 71.777 3.533 11.632 1.00 0.19 O ATOM 1250 CB VAL A 79 68.665 3.440 11.361 1.00 0.20 C ATOM 1251 CG1 VAL A 79 69.096 4.314 12.549 1.00 0.24 C ATOM 1252 CG2 VAL A 79 68.426 4.335 10.142 1.00 0.21 C ATOM 0 H VAL A 79 69.656 1.934 13.099 1.00 0.19 H new ATOM 0 HA VAL A 79 69.496 1.851 10.104 1.00 0.18 H new ATOM 0 HB VAL A 79 67.751 2.913 11.635 1.00 0.20 H new ATOM 0 HG11 VAL A 79 68.314 5.040 12.769 1.00 0.24 H new ATOM 0 HG12 VAL A 79 69.262 3.684 13.423 1.00 0.24 H new ATOM 0 HG13 VAL A 79 70.018 4.838 12.299 1.00 0.24 H new ATOM 0 HG21 VAL A 79 67.663 5.076 10.379 1.00 0.21 H new ATOM 0 HG22 VAL A 79 69.354 4.841 9.875 1.00 0.21 H new ATOM 0 HG23 VAL A 79 68.091 3.725 9.303 1.00 0.21 H new ATOM 1262 N ILE A 80 71.469 3.121 9.488 1.00 0.17 N ATOM 1263 CA ILE A 80 72.741 3.784 9.085 1.00 0.17 C ATOM 1264 C ILE A 80 72.448 4.836 8.009 1.00 0.17 C ATOM 1265 O ILE A 80 71.476 4.731 7.282 1.00 0.17 O ATOM 1266 CB ILE A 80 73.633 2.660 8.533 1.00 0.17 C ATOM 1267 CG1 ILE A 80 72.950 1.994 7.333 1.00 0.17 C ATOM 1268 CG2 ILE A 80 73.878 1.619 9.626 1.00 0.18 C ATOM 1269 CD1 ILE A 80 73.894 0.967 6.702 1.00 0.18 C ATOM 0 H ILE A 80 70.931 2.732 8.714 1.00 0.17 H new ATOM 0 HA ILE A 80 73.228 4.298 9.914 1.00 0.17 H new ATOM 0 HB ILE A 80 74.585 3.083 8.213 1.00 0.17 H new ATOM 0 HG12 ILE A 80 72.029 1.507 7.652 1.00 0.17 H new ATOM 0 HG13 ILE A 80 72.673 2.748 6.596 1.00 0.17 H new ATOM 0 HG21 ILE A 80 74.510 0.822 9.234 1.00 0.18 H new ATOM 0 HG22 ILE A 80 74.373 2.092 10.474 1.00 0.18 H new ATOM 0 HG23 ILE A 80 72.925 1.200 9.950 1.00 0.18 H new ATOM 0 HD11 ILE A 80 73.403 0.497 5.850 1.00 0.18 H new ATOM 0 HD12 ILE A 80 74.803 1.466 6.367 1.00 0.18 H new ATOM 0 HD13 ILE A 80 74.149 0.206 7.439 1.00 0.18 H new ATOM 1281 N GLU A 81 73.337 5.775 7.837 1.00 0.18 N ATOM 1282 CA GLU A 81 73.191 6.765 6.733 1.00 0.18 C ATOM 1283 C GLU A 81 74.044 6.317 5.550 1.00 0.17 C ATOM 1284 O GLU A 81 75.154 5.848 5.724 1.00 0.19 O ATOM 1285 CB GLU A 81 73.712 8.083 7.310 1.00 0.20 C ATOM 1286 CG GLU A 81 73.518 9.202 6.287 1.00 0.21 C ATOM 1287 CD GLU A 81 74.138 10.494 6.823 1.00 0.23 C ATOM 1288 OE1 GLU A 81 73.645 10.997 7.819 1.00 1.04 O ATOM 1289 OE2 GLU A 81 75.097 10.960 6.227 1.00 1.14 O ATOM 0 H GLU A 81 74.165 5.900 8.419 1.00 0.18 H new ATOM 0 HA GLU A 81 72.164 6.865 6.380 1.00 0.18 H new ATOM 0 HB2 GLU A 81 73.182 8.323 8.232 1.00 0.20 H new ATOM 0 HB3 GLU A 81 74.768 7.988 7.565 1.00 0.20 H new ATOM 0 HG2 GLU A 81 73.983 8.928 5.340 1.00 0.21 H new ATOM 0 HG3 GLU A 81 72.456 9.350 6.090 1.00 0.21 H new ATOM 1296 N VAL A 82 73.461 6.295 4.380 1.00 0.16 N ATOM 1297 CA VAL A 82 74.149 5.688 3.205 1.00 0.17 C ATOM 1298 C VAL A 82 74.442 6.760 2.154 1.00 0.16 C ATOM 1299 O VAL A 82 73.574 7.522 1.768 1.00 0.17 O ATOM 1300 CB VAL A 82 73.159 4.644 2.673 1.00 0.18 C ATOM 1301 CG1 VAL A 82 73.737 3.961 1.434 1.00 0.20 C ATOM 1302 CG2 VAL A 82 72.906 3.587 3.750 1.00 0.19 C ATOM 0 H VAL A 82 72.533 6.674 4.188 1.00 0.16 H new ATOM 0 HA VAL A 82 75.109 5.240 3.463 1.00 0.17 H new ATOM 0 HB VAL A 82 72.225 5.141 2.412 1.00 0.18 H new ATOM 0 HG11 VAL A 82 73.028 3.221 1.062 1.00 0.20 H new ATOM 0 HG12 VAL A 82 73.922 4.706 0.661 1.00 0.20 H new ATOM 0 HG13 VAL A 82 74.673 3.468 1.694 1.00 0.20 H new ATOM 0 HG21 VAL A 82 72.203 2.845 3.373 1.00 0.19 H new ATOM 0 HG22 VAL A 82 73.846 3.098 4.008 1.00 0.19 H new ATOM 0 HG23 VAL A 82 72.489 4.064 4.637 1.00 0.19 H new ATOM 1312 N LEU A 83 75.662 6.810 1.695 1.00 0.16 N ATOM 1313 CA LEU A 83 76.055 7.819 0.664 1.00 0.17 C ATOM 1314 C LEU A 83 76.485 7.089 -0.611 1.00 0.15 C ATOM 1315 O LEU A 83 77.395 6.285 -0.571 1.00 0.12 O ATOM 1316 CB LEU A 83 77.275 8.566 1.241 1.00 0.21 C ATOM 1317 CG LEU A 83 77.025 9.033 2.682 1.00 0.20 C ATOM 1318 CD1 LEU A 83 78.275 9.739 3.208 1.00 0.25 C ATOM 1319 CD2 LEU A 83 75.837 9.992 2.711 1.00 0.20 C ATOM 0 H LEU A 83 76.414 6.188 1.992 1.00 0.16 H new ATOM 0 HA LEU A 83 75.234 8.496 0.430 1.00 0.17 H new ATOM 0 HB2 LEU A 83 78.147 7.912 1.216 1.00 0.21 H new ATOM 0 HB3 LEU A 83 77.504 9.427 0.614 1.00 0.21 H new ATOM 0 HG LEU A 83 76.803 8.172 3.313 1.00 0.20 H new ATOM 0 HD11 LEU A 83 78.101 10.072 4.231 1.00 0.25 H new ATOM 0 HD12 LEU A 83 79.118 9.048 3.189 1.00 0.25 H new ATOM 0 HD13 LEU A 83 78.498 10.601 2.579 1.00 0.25 H new ATOM 0 HD21 LEU A 83 75.661 10.322 3.735 1.00 0.20 H new ATOM 0 HD22 LEU A 83 76.052 10.856 2.083 1.00 0.20 H new ATOM 0 HD23 LEU A 83 74.949 9.483 2.336 1.00 0.20 H new ATOM 1331 N LEU A 84 75.952 7.463 -1.750 1.00 0.16 N ATOM 1332 CA LEU A 84 76.470 6.894 -3.034 1.00 0.15 C ATOM 1333 C LEU A 84 77.756 7.615 -3.440 1.00 0.15 C ATOM 1334 O LEU A 84 77.902 8.801 -3.220 1.00 0.17 O ATOM 1335 CB LEU A 84 75.370 7.123 -4.064 1.00 0.18 C ATOM 1336 CG LEU A 84 74.375 5.961 -4.005 1.00 0.21 C ATOM 1337 CD1 LEU A 84 72.970 6.443 -4.409 1.00 0.20 C ATOM 1338 CD2 LEU A 84 74.846 4.859 -4.961 1.00 0.28 C ATOM 0 H LEU A 84 75.188 8.132 -1.846 1.00 0.16 H new ATOM 0 HA LEU A 84 76.710 5.834 -2.946 1.00 0.15 H new ATOM 0 HB2 LEU A 84 74.859 8.065 -3.865 1.00 0.18 H new ATOM 0 HB3 LEU A 84 75.800 7.199 -5.063 1.00 0.18 H new ATOM 0 HG LEU A 84 74.326 5.572 -2.988 1.00 0.21 H new ATOM 0 HD11 LEU A 84 72.272 5.607 -4.363 1.00 0.20 H new ATOM 0 HD12 LEU A 84 72.644 7.227 -3.725 1.00 0.20 H new ATOM 0 HD13 LEU A 84 72.999 6.837 -5.425 1.00 0.20 H new ATOM 0 HD21 LEU A 84 74.145 4.025 -4.928 1.00 0.28 H new ATOM 0 HD22 LEU A 84 74.893 5.254 -5.976 1.00 0.28 H new ATOM 0 HD23 LEU A 84 75.835 4.514 -4.659 1.00 0.28 H new ATOM 1350 N LEU A 85 78.714 6.886 -3.954 1.00 0.14 N ATOM 1351 CA LEU A 85 80.033 7.498 -4.292 1.00 0.17 C ATOM 1352 C LEU A 85 80.232 7.561 -5.808 1.00 0.18 C ATOM 1353 O LEU A 85 80.898 8.450 -6.310 1.00 0.24 O ATOM 1354 CB LEU A 85 81.070 6.581 -3.644 1.00 0.22 C ATOM 1355 CG LEU A 85 81.357 7.065 -2.223 1.00 0.89 C ATOM 1356 CD1 LEU A 85 82.002 5.934 -1.418 1.00 1.13 C ATOM 1357 CD2 LEU A 85 82.311 8.261 -2.275 1.00 1.60 C ATOM 0 H LEU A 85 78.638 5.889 -4.155 1.00 0.14 H new ATOM 0 HA LEU A 85 80.112 8.524 -3.932 1.00 0.17 H new ATOM 0 HB2 LEU A 85 80.702 5.555 -3.623 1.00 0.22 H new ATOM 0 HB3 LEU A 85 81.988 6.579 -4.232 1.00 0.22 H new ATOM 0 HG LEU A 85 80.424 7.364 -1.746 1.00 0.89 H new ATOM 0 HD11 LEU A 85 82.207 6.279 -0.405 1.00 1.13 H new ATOM 0 HD12 LEU A 85 81.324 5.081 -1.381 1.00 1.13 H new ATOM 0 HD13 LEU A 85 82.935 5.635 -1.895 1.00 1.13 H new ATOM 0 HD21 LEU A 85 82.516 8.607 -1.262 1.00 1.60 H new ATOM 0 HD22 LEU A 85 83.244 7.962 -2.752 1.00 1.60 H new ATOM 0 HD23 LEU A 85 81.853 9.067 -2.848 1.00 1.60 H new ATOM 1369 N GLY A 86 79.713 6.596 -6.534 1.00 0.16 N ATOM 1370 CA GLY A 86 79.939 6.576 -8.020 1.00 0.20 C ATOM 1371 C GLY A 86 79.028 5.548 -8.699 1.00 0.17 C ATOM 1372 O GLY A 86 78.175 4.956 -8.072 1.00 0.15 O ATOM 0 H GLY A 86 79.149 5.829 -6.168 1.00 0.16 H new ATOM 0 HA2 GLY A 86 79.748 7.566 -8.434 1.00 0.20 H new ATOM 0 HA3 GLY A 86 80.982 6.338 -8.230 1.00 0.20 H new ATOM 1376 N HIS A 87 79.184 5.370 -9.992 1.00 0.20 N ATOM 1377 CA HIS A 87 78.299 4.423 -10.748 1.00 0.19 C ATOM 1378 C HIS A 87 79.092 3.701 -11.849 1.00 0.19 C ATOM 1379 O HIS A 87 80.042 4.238 -12.389 1.00 0.24 O ATOM 1380 CB HIS A 87 77.199 5.305 -11.364 1.00 0.28 C ATOM 1381 CG HIS A 87 77.807 6.353 -12.266 1.00 0.76 C ATOM 1382 ND1 HIS A 87 78.078 6.110 -13.604 1.00 1.31 N ATOM 1383 CD2 HIS A 87 78.199 7.648 -12.033 1.00 1.72 C ATOM 1384 CE1 HIS A 87 78.608 7.234 -14.120 1.00 1.57 C ATOM 1385 NE2 HIS A 87 78.705 8.202 -13.205 1.00 1.89 N ATOM 0 H HIS A 87 79.889 5.842 -10.558 1.00 0.20 H new ATOM 0 HA HIS A 87 77.887 3.648 -10.102 1.00 0.19 H new ATOM 0 HB2 HIS A 87 76.504 4.687 -11.932 1.00 0.28 H new ATOM 0 HB3 HIS A 87 76.624 5.786 -10.573 1.00 0.28 H new ATOM 0 HD2 HIS A 87 78.126 8.159 -11.084 1.00 1.72 H new ATOM 0 HE1 HIS A 87 78.917 7.340 -15.149 1.00 1.57 H new ATOM 0 HE2 HIS A 87 79.071 9.145 -13.337 1.00 1.89 H new ATOM 1393 N TYR A 88 78.663 2.519 -12.231 1.00 0.16 N ATOM 1394 CA TYR A 88 79.334 1.792 -13.350 1.00 0.19 C ATOM 1395 C TYR A 88 78.287 1.145 -14.264 1.00 0.21 C ATOM 1396 O TYR A 88 77.275 0.645 -13.804 1.00 0.17 O ATOM 1397 CB TYR A 88 80.193 0.724 -12.672 1.00 0.21 C ATOM 1398 CG TYR A 88 81.315 1.392 -11.912 1.00 0.32 C ATOM 1399 CD1 TYR A 88 82.529 1.744 -12.591 1.00 0.66 C ATOM 1400 CD2 TYR A 88 81.166 1.675 -10.513 1.00 0.59 C ATOM 1401 CE1 TYR A 88 83.595 2.380 -11.870 1.00 0.77 C ATOM 1402 CE2 TYR A 88 82.232 2.310 -9.793 1.00 0.70 C ATOM 1403 CZ TYR A 88 83.447 2.663 -10.471 1.00 0.65 C ATOM 1404 OH TYR A 88 84.472 3.274 -9.779 1.00 0.80 O ATOM 0 H TYR A 88 77.873 2.028 -11.812 1.00 0.16 H new ATOM 0 HA TYR A 88 79.932 2.456 -13.975 1.00 0.19 H new ATOM 0 HB2 TYR A 88 79.583 0.128 -11.993 1.00 0.21 H new ATOM 0 HB3 TYR A 88 80.600 0.041 -13.418 1.00 0.21 H new ATOM 0 HD1 TYR A 88 82.641 1.531 -13.644 1.00 0.66 H new ATOM 0 HD2 TYR A 88 80.252 1.410 -10.003 1.00 0.59 H new ATOM 0 HE1 TYR A 88 84.509 2.646 -12.381 1.00 0.77 H new ATOM 0 HE2 TYR A 88 82.120 2.523 -8.740 1.00 0.70 H new ATOM 0 HH TYR A 88 84.209 3.394 -8.843 1.00 0.80 H new ATOM 1414 N LYS A 89 78.535 1.137 -15.550 1.00 0.29 N ATOM 1415 CA LYS A 89 77.572 0.506 -16.506 1.00 0.33 C ATOM 1416 C LYS A 89 78.284 -0.587 -17.324 1.00 0.52 C ATOM 1417 O LYS A 89 79.495 -0.578 -17.426 1.00 0.94 O ATOM 1418 CB LYS A 89 77.103 1.652 -17.417 1.00 0.48 C ATOM 1419 CG LYS A 89 75.572 1.691 -17.462 1.00 1.38 C ATOM 1420 CD LYS A 89 75.114 2.387 -18.746 1.00 1.82 C ATOM 1421 CE LYS A 89 73.800 3.126 -18.487 1.00 2.32 C ATOM 1422 NZ LYS A 89 73.460 3.769 -19.786 1.00 2.99 N ATOM 0 H LYS A 89 79.366 1.542 -15.981 1.00 0.29 H new ATOM 0 HA LYS A 89 76.734 0.028 -15.999 1.00 0.33 H new ATOM 0 HB2 LYS A 89 77.489 2.602 -17.048 1.00 0.48 H new ATOM 0 HB3 LYS A 89 77.501 1.515 -18.422 1.00 0.48 H new ATOM 0 HG2 LYS A 89 75.171 0.678 -17.422 1.00 1.38 H new ATOM 0 HG3 LYS A 89 75.186 2.221 -16.591 1.00 1.38 H new ATOM 0 HD2 LYS A 89 75.877 3.088 -19.084 1.00 1.82 H new ATOM 0 HD3 LYS A 89 74.980 1.654 -19.541 1.00 1.82 H new ATOM 0 HE2 LYS A 89 73.016 2.439 -18.169 1.00 2.32 H new ATOM 0 HE3 LYS A 89 73.913 3.868 -17.696 1.00 2.32 H new ATOM 0 HZ1 LYS A 89 72.569 4.296 -19.690 1.00 2.99 H new ATOM 0 HZ2 LYS A 89 74.221 4.423 -20.060 1.00 2.99 H new ATOM 0 HZ3 LYS A 89 73.352 3.038 -20.518 1.00 2.99 H new ATOM 1436 N PRO A 90 77.517 -1.506 -17.889 1.00 0.71 N ATOM 1437 CA PRO A 90 78.119 -2.609 -18.703 1.00 0.93 C ATOM 1438 C PRO A 90 78.992 -2.045 -19.832 1.00 0.85 C ATOM 1439 O PRO A 90 78.672 -1.031 -20.426 1.00 1.30 O ATOM 1440 CB PRO A 90 76.891 -3.318 -19.273 1.00 1.39 C ATOM 1441 CG PRO A 90 75.829 -3.050 -18.264 1.00 1.68 C ATOM 1442 CD PRO A 90 76.045 -1.629 -17.838 1.00 1.19 C ATOM 0 HA PRO A 90 78.771 -3.264 -18.125 1.00 0.93 H new ATOM 0 HB2 PRO A 90 76.621 -2.925 -20.253 1.00 1.39 H new ATOM 0 HB3 PRO A 90 77.067 -4.387 -19.396 1.00 1.39 H new ATOM 0 HG2 PRO A 90 74.836 -3.187 -18.691 1.00 1.68 H new ATOM 0 HG3 PRO A 90 75.908 -3.732 -17.417 1.00 1.68 H new ATOM 0 HD2 PRO A 90 75.554 -0.924 -18.509 1.00 1.19 H new ATOM 0 HD3 PRO A 90 75.655 -1.441 -16.838 1.00 1.19 H new ATOM 1450 N ARG A 91 80.082 -2.706 -20.133 1.00 1.61 N ATOM 1451 CA ARG A 91 80.981 -2.229 -21.229 1.00 1.99 C ATOM 1452 C ARG A 91 81.271 -3.370 -22.208 1.00 2.65 C ATOM 1453 O ARG A 91 81.454 -4.506 -21.810 1.00 3.38 O ATOM 1454 CB ARG A 91 82.264 -1.786 -20.525 1.00 3.06 C ATOM 1455 CG ARG A 91 83.211 -1.149 -21.544 1.00 3.64 C ATOM 1456 CD ARG A 91 84.516 -0.752 -20.849 1.00 4.74 C ATOM 1457 NE ARG A 91 85.311 -0.029 -21.895 1.00 5.48 N ATOM 1458 CZ ARG A 91 86.624 0.100 -21.806 1.00 6.33 C ATOM 1459 NH1 ARG A 91 87.306 -0.392 -20.793 1.00 6.87 N ATOM 1460 NH2 ARG A 91 87.262 0.738 -22.748 1.00 6.83 N ATOM 0 H ARG A 91 80.389 -3.559 -19.665 1.00 1.61 H new ATOM 0 HA ARG A 91 80.535 -1.420 -21.807 1.00 1.99 H new ATOM 0 HB2 ARG A 91 82.030 -1.073 -19.735 1.00 3.06 H new ATOM 0 HB3 ARG A 91 82.745 -2.641 -20.051 1.00 3.06 H new ATOM 0 HG2 ARG A 91 83.416 -1.850 -22.353 1.00 3.64 H new ATOM 0 HG3 ARG A 91 82.744 -0.272 -21.992 1.00 3.64 H new ATOM 0 HD2 ARG A 91 84.325 -0.113 -19.987 1.00 4.74 H new ATOM 0 HD3 ARG A 91 85.051 -1.629 -20.483 1.00 4.74 H new ATOM 0 HE ARG A 91 84.826 0.374 -22.697 1.00 5.48 H new ATOM 0 HH11 ARG A 91 86.822 -0.890 -20.046 1.00 6.87 H new ATOM 0 HH12 ARG A 91 88.319 -0.275 -20.755 1.00 6.87 H new ATOM 0 HH21 ARG A 91 86.748 1.128 -23.538 1.00 6.83 H new ATOM 0 HH22 ARG A 91 88.275 0.847 -22.695 1.00 6.83 H new ATOM 1474 N ASN A 92 81.310 -3.071 -23.483 1.00 3.10 N ATOM 1475 CA ASN A 92 81.585 -4.129 -24.503 1.00 4.24 C ATOM 1476 C ASN A 92 82.777 -3.727 -25.374 1.00 4.85 C ATOM 1477 O ASN A 92 83.130 -2.559 -25.359 1.00 5.20 O ATOM 1478 CB ASN A 92 80.310 -4.211 -25.343 1.00 4.82 C ATOM 1479 CG ASN A 92 80.430 -5.362 -26.343 1.00 5.68 C ATOM 1480 OD1 ASN A 92 80.637 -5.139 -27.520 1.00 5.95 O ATOM 1481 ND2 ASN A 92 80.309 -6.591 -25.923 1.00 6.47 N ATOM 1482 OXT ASN A 92 83.316 -4.593 -26.043 1.00 5.35 O ATOM 0 H ASN A 92 81.163 -2.136 -23.862 1.00 3.10 H new ATOM 0 HA ASN A 92 81.834 -5.087 -24.047 1.00 4.24 H new ATOM 0 HB2 ASN A 92 79.446 -4.365 -24.697 1.00 4.82 H new ATOM 0 HB3 ASN A 92 80.149 -3.271 -25.872 1.00 4.82 H new ATOM 0 HD21 ASN A 92 80.388 -7.365 -26.582 1.00 6.47 H new ATOM 0 HD22 ASN A 92 80.135 -6.778 -24.935 1.00 6.47 H new TER 1489 ASN A 92