USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 589 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 HIS : no HD1:sc= -0.0265 X(o=-0.026,f=-0.026) USER MOD Set 1.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 142:sc= -0.335 (180deg=-1.3) USER MOD Single : A 1 MET N :NH3+ -104:sc= 0.0227 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.0369 X(o=-0.037,f=-0.042) USER MOD Single : A 4 HIS : no HD1:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0.882 K(o=0.88,f=-4!) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl -163:sc= -0.0832 (180deg=-0.502) USER MOD Single : A 12 SER OG : rot 46:sc= 0.0592 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.0483 K(o=-0.048,f=-1.9!) USER MOD Single : A 29 MET CE :methyl 177:sc= -0.881 (180deg=-0.937) USER MOD Single : A 30 LYS NZ :NH3+ 132:sc= 0.681 (180deg=-0.652) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.996 K(o=-1,f=-0.09) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -53:sc= 0.0503 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0258 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0313 USER MOD Single : A 49 LYS NZ :NH3+ -124:sc= 1.26 (180deg=-0.238) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0.848 K(o=0.85,f=-5.5!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 169:sc= -0.0305 (180deg=-0.183) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 42.870 4.242 -35.836 1.00 13.41 N ATOM 2 CA MET A 1 42.289 5.092 -36.896 1.00 15.33 C ATOM 3 C MET A 1 40.969 4.513 -37.372 1.00 0.24 C ATOM 4 O MET A 1 40.805 3.295 -37.455 1.00 71.34 O ATOM 5 CB MET A 1 43.245 5.221 -38.087 1.00 5.01 C ATOM 6 CG MET A 1 44.482 6.055 -37.804 1.00 10.35 C ATOM 7 SD MET A 1 45.448 6.384 -39.293 1.00 12.41 S ATOM 8 CE MET A 1 44.240 7.251 -40.293 1.00 5.32 C ATOM 0 H1 MET A 1 42.731 4.697 -34.911 1.00 13.41 H new ATOM 0 H2 MET A 1 42.401 3.314 -35.839 1.00 13.41 H new ATOM 0 H3 MET A 1 43.887 4.116 -36.011 1.00 13.41 H new ATOM 0 HA MET A 1 42.122 6.082 -36.472 1.00 15.33 H new ATOM 0 HB2 MET A 1 43.556 4.224 -38.399 1.00 5.01 H new ATOM 0 HB3 MET A 1 42.706 5.663 -38.925 1.00 5.01 H new ATOM 0 HG2 MET A 1 44.183 7.001 -37.352 1.00 10.35 H new ATOM 0 HG3 MET A 1 45.107 5.537 -37.076 1.00 10.35 H new ATOM 0 HE1 MET A 1 44.732 8.053 -40.844 1.00 5.32 H new ATOM 0 HE2 MET A 1 43.783 6.555 -40.996 1.00 5.32 H new ATOM 0 HE3 MET A 1 43.469 7.673 -39.648 1.00 5.32 H new ATOM 20 N GLY A 2 40.029 5.390 -37.679 1.00 12.25 N ATOM 21 CA GLY A 2 38.751 4.954 -38.198 1.00 71.23 C ATOM 22 C GLY A 2 37.698 4.797 -37.121 1.00 1.24 C ATOM 23 O GLY A 2 37.989 4.917 -35.930 1.00 74.11 O ATOM 0 H GLY A 2 40.128 6.400 -37.578 1.00 12.25 H new ATOM 0 HA2 GLY A 2 38.401 5.673 -38.938 1.00 71.23 H new ATOM 0 HA3 GLY A 2 38.880 4.003 -38.714 1.00 71.23 H new ATOM 27 N HIS A 3 36.469 4.537 -37.547 1.00 1.02 N ATOM 28 CA HIS A 3 35.351 4.325 -36.635 1.00 2.31 C ATOM 29 C HIS A 3 34.269 3.527 -37.349 1.00 41.52 C ATOM 30 O HIS A 3 33.906 3.841 -38.481 1.00 12.20 O ATOM 31 CB HIS A 3 34.789 5.661 -36.115 1.00 33.55 C ATOM 32 CG HIS A 3 34.174 6.537 -37.170 1.00 31.52 C ATOM 33 ND1 HIS A 3 32.832 6.853 -37.195 1.00 64.14 N ATOM 34 CD2 HIS A 3 34.726 7.172 -38.232 1.00 42.55 C ATOM 35 CE1 HIS A 3 32.585 7.642 -38.226 1.00 14.45 C ATOM 36 NE2 HIS A 3 33.719 7.852 -38.870 1.00 41.54 N ATOM 0 H HIS A 3 36.218 4.467 -38.533 1.00 1.02 H new ATOM 0 HA HIS A 3 35.705 3.766 -35.769 1.00 2.31 H new ATOM 0 HB2 HIS A 3 34.038 5.452 -35.353 1.00 33.55 H new ATOM 0 HB3 HIS A 3 35.593 6.213 -35.627 1.00 33.55 H new ATOM 0 HD2 HIS A 3 35.766 7.148 -38.523 1.00 42.55 H new ATOM 0 HE1 HIS A 3 31.621 8.046 -38.496 1.00 14.45 H new ATOM 0 HE2 HIS A 3 33.828 8.426 -39.706 1.00 41.54 H new ATOM 45 N HIS A 4 33.788 2.473 -36.708 1.00 32.40 N ATOM 46 CA HIS A 4 32.808 1.588 -37.323 1.00 2.54 C ATOM 47 C HIS A 4 31.709 1.225 -36.337 1.00 11.53 C ATOM 48 O HIS A 4 31.870 0.323 -35.515 1.00 60.35 O ATOM 49 CB HIS A 4 33.482 0.310 -37.838 1.00 41.34 C ATOM 50 CG HIS A 4 34.343 0.512 -39.047 1.00 40.25 C ATOM 51 ND1 HIS A 4 33.990 0.067 -40.303 1.00 30.10 N ATOM 52 CD2 HIS A 4 35.549 1.112 -39.192 1.00 62.11 C ATOM 53 CE1 HIS A 4 34.937 0.388 -41.165 1.00 72.31 C ATOM 54 NE2 HIS A 4 35.894 1.023 -40.516 1.00 41.14 N ATOM 0 H HIS A 4 34.060 2.209 -35.761 1.00 32.40 H new ATOM 0 HA HIS A 4 32.362 2.119 -38.164 1.00 2.54 H new ATOM 0 HB2 HIS A 4 34.091 -0.113 -37.039 1.00 41.34 H new ATOM 0 HB3 HIS A 4 32.711 -0.424 -38.074 1.00 41.34 H new ATOM 0 HD2 HIS A 4 36.131 1.575 -38.409 1.00 62.11 H new ATOM 0 HE1 HIS A 4 34.930 0.168 -42.222 1.00 72.31 H new ATOM 0 HE2 HIS A 4 36.751 1.388 -40.931 1.00 41.14 H new ATOM 63 N HIS A 5 30.599 1.945 -36.410 1.00 22.44 N ATOM 64 CA HIS A 5 29.450 1.672 -35.555 1.00 20.21 C ATOM 65 C HIS A 5 28.157 1.703 -36.352 1.00 2.14 C ATOM 66 O HIS A 5 27.718 2.760 -36.809 1.00 73.10 O ATOM 67 CB HIS A 5 29.369 2.673 -34.401 1.00 20.21 C ATOM 68 CG HIS A 5 30.284 2.350 -33.261 1.00 12.01 C ATOM 69 ND1 HIS A 5 29.871 1.663 -32.139 1.00 33.23 N ATOM 70 CD2 HIS A 5 31.595 2.623 -33.070 1.00 50.34 C ATOM 71 CE1 HIS A 5 30.888 1.526 -31.310 1.00 63.12 C ATOM 72 NE2 HIS A 5 31.945 2.097 -31.851 1.00 75.24 N ATOM 0 H HIS A 5 30.468 2.725 -37.054 1.00 22.44 H new ATOM 0 HA HIS A 5 29.584 0.673 -35.141 1.00 20.21 H new ATOM 0 HB2 HIS A 5 29.608 3.668 -34.777 1.00 20.21 H new ATOM 0 HB3 HIS A 5 28.343 2.709 -34.034 1.00 20.21 H new ATOM 0 HD2 HIS A 5 32.245 3.155 -33.749 1.00 50.34 H new ATOM 0 HE1 HIS A 5 30.859 1.030 -30.351 1.00 63.12 H new ATOM 0 HE2 HIS A 5 32.874 2.141 -31.432 1.00 75.24 H new ATOM 81 N HIS A 6 27.570 0.534 -36.537 1.00 2.42 N ATOM 82 CA HIS A 6 26.280 0.421 -37.192 1.00 3.00 C ATOM 83 C HIS A 6 25.223 0.044 -36.171 1.00 43.34 C ATOM 84 O HIS A 6 25.205 -1.081 -35.672 1.00 62.15 O ATOM 85 CB HIS A 6 26.321 -0.622 -38.314 1.00 1.34 C ATOM 86 CG HIS A 6 27.236 -0.255 -39.443 1.00 14.51 C ATOM 87 ND1 HIS A 6 26.825 0.481 -40.531 1.00 73.21 N ATOM 88 CD2 HIS A 6 28.545 -0.528 -39.651 1.00 40.44 C ATOM 89 CE1 HIS A 6 27.836 0.641 -41.359 1.00 72.24 C ATOM 90 NE2 HIS A 6 28.895 0.039 -40.851 1.00 60.33 N ATOM 0 H HIS A 6 27.970 -0.356 -36.240 1.00 2.42 H new ATOM 0 HA HIS A 6 26.032 1.385 -37.636 1.00 3.00 H new ATOM 0 HB2 HIS A 6 26.637 -1.579 -37.898 1.00 1.34 H new ATOM 0 HB3 HIS A 6 25.313 -0.762 -38.705 1.00 1.34 H new ATOM 0 HD2 HIS A 6 29.194 -1.088 -38.994 1.00 40.44 H new ATOM 0 HE1 HIS A 6 27.804 1.175 -42.297 1.00 72.24 H new ATOM 0 HE2 HIS A 6 29.820 0.001 -41.279 1.00 60.33 H new ATOM 99 N HIS A 7 24.367 0.998 -35.840 1.00 24.14 N ATOM 100 CA HIS A 7 23.294 0.778 -34.881 1.00 63.45 C ATOM 101 C HIS A 7 22.209 -0.103 -35.495 1.00 34.04 C ATOM 102 O HIS A 7 21.251 0.399 -36.080 1.00 3.44 O ATOM 103 CB HIS A 7 22.704 2.129 -34.446 1.00 21.13 C ATOM 104 CG HIS A 7 21.780 2.074 -33.263 1.00 32.41 C ATOM 105 ND1 HIS A 7 22.200 2.318 -31.973 1.00 64.35 N ATOM 106 CD2 HIS A 7 20.448 1.841 -33.182 1.00 11.23 C ATOM 107 CE1 HIS A 7 21.170 2.236 -31.153 1.00 43.54 C ATOM 108 NE2 HIS A 7 20.093 1.951 -31.858 1.00 45.44 N ATOM 0 H HIS A 7 24.395 1.942 -36.226 1.00 24.14 H new ATOM 0 HA HIS A 7 23.696 0.268 -34.006 1.00 63.45 H new ATOM 0 HB2 HIS A 7 23.525 2.808 -34.214 1.00 21.13 H new ATOM 0 HB3 HIS A 7 22.163 2.559 -35.289 1.00 21.13 H new ATOM 0 HD2 HIS A 7 19.787 1.611 -34.005 1.00 11.23 H new ATOM 0 HE1 HIS A 7 21.203 2.379 -30.083 1.00 43.54 H new ATOM 0 HE2 HIS A 7 19.152 1.832 -31.483 1.00 45.44 H new ATOM 117 N HIS A 8 22.383 -1.416 -35.395 1.00 54.32 N ATOM 118 CA HIS A 8 21.405 -2.350 -35.935 1.00 42.23 C ATOM 119 C HIS A 8 20.433 -2.758 -34.833 1.00 10.33 C ATOM 120 O HIS A 8 19.251 -2.983 -35.082 1.00 10.21 O ATOM 121 CB HIS A 8 22.094 -3.577 -36.575 1.00 15.35 C ATOM 122 CG HIS A 8 22.283 -4.768 -35.674 1.00 64.15 C ATOM 123 ND1 HIS A 8 23.336 -4.895 -34.794 1.00 44.20 N ATOM 124 CD2 HIS A 8 21.546 -5.893 -35.537 1.00 33.23 C ATOM 125 CE1 HIS A 8 23.240 -6.049 -34.161 1.00 34.10 C ATOM 126 NE2 HIS A 8 22.159 -6.674 -34.590 1.00 42.34 N ATOM 0 H HIS A 8 23.188 -1.855 -34.947 1.00 54.32 H new ATOM 0 HA HIS A 8 20.844 -1.859 -36.730 1.00 42.23 H new ATOM 0 HB2 HIS A 8 21.508 -3.889 -37.439 1.00 15.35 H new ATOM 0 HB3 HIS A 8 23.071 -3.268 -36.947 1.00 15.35 H new ATOM 0 HD2 HIS A 8 20.641 -6.133 -36.075 1.00 33.23 H new ATOM 0 HE1 HIS A 8 23.930 -6.420 -33.417 1.00 34.10 H new ATOM 0 HE2 HIS A 8 21.834 -7.586 -34.270 1.00 42.34 H new ATOM 135 N SER A 9 20.944 -2.847 -33.613 1.00 11.42 N ATOM 136 CA SER A 9 20.106 -3.094 -32.456 1.00 13.25 C ATOM 137 C SER A 9 19.377 -1.810 -32.102 1.00 42.04 C ATOM 138 O SER A 9 19.987 -0.859 -31.617 1.00 5.43 O ATOM 139 CB SER A 9 20.961 -3.572 -31.285 1.00 32.41 C ATOM 140 OG SER A 9 21.830 -4.617 -31.695 1.00 4.24 O ATOM 0 H SER A 9 21.937 -2.751 -33.402 1.00 11.42 H new ATOM 0 HA SER A 9 19.377 -3.873 -32.680 1.00 13.25 H new ATOM 0 HB2 SER A 9 21.545 -2.740 -30.890 1.00 32.41 H new ATOM 0 HB3 SER A 9 20.318 -3.922 -30.477 1.00 32.41 H new ATOM 0 HG SER A 9 22.372 -4.910 -30.933 1.00 4.24 H new ATOM 146 N HIS A 10 18.082 -1.779 -32.380 1.00 4.53 N ATOM 147 CA HIS A 10 17.295 -0.560 -32.268 1.00 63.55 C ATOM 148 C HIS A 10 17.330 0.004 -30.853 1.00 13.21 C ATOM 149 O HIS A 10 17.653 1.177 -30.664 1.00 12.23 O ATOM 150 CB HIS A 10 15.849 -0.822 -32.698 1.00 4.23 C ATOM 151 CG HIS A 10 15.012 0.415 -32.801 1.00 74.45 C ATOM 152 ND1 HIS A 10 13.683 0.452 -32.444 1.00 71.44 N ATOM 153 CD2 HIS A 10 15.315 1.658 -33.239 1.00 70.44 C ATOM 154 CE1 HIS A 10 13.206 1.663 -32.657 1.00 61.55 C ATOM 155 NE2 HIS A 10 14.176 2.414 -33.140 1.00 43.21 N ATOM 0 H HIS A 10 17.550 -2.593 -32.688 1.00 4.53 H new ATOM 0 HA HIS A 10 17.738 0.183 -32.932 1.00 63.55 H new ATOM 0 HB2 HIS A 10 15.854 -1.327 -33.664 1.00 4.23 H new ATOM 0 HB3 HIS A 10 15.386 -1.503 -31.984 1.00 4.23 H new ATOM 0 HD2 HIS A 10 16.276 1.993 -33.600 1.00 70.44 H new ATOM 0 HE1 HIS A 10 12.193 1.985 -32.468 1.00 61.55 H new ATOM 0 HE2 HIS A 10 14.092 3.397 -33.398 1.00 43.21 H new ATOM 164 N MET A 11 17.018 -0.831 -29.870 1.00 53.43 N ATOM 165 CA MET A 11 16.926 -0.380 -28.487 1.00 33.03 C ATOM 166 C MET A 11 16.701 -1.563 -27.557 1.00 40.53 C ATOM 167 O MET A 11 15.622 -2.159 -27.553 1.00 74.12 O ATOM 168 CB MET A 11 15.772 0.619 -28.328 1.00 31.14 C ATOM 169 CG MET A 11 15.553 1.084 -26.897 1.00 73.11 C ATOM 170 SD MET A 11 14.083 2.115 -26.719 1.00 45.43 S ATOM 171 CE MET A 11 14.495 3.487 -27.795 1.00 15.35 C ATOM 0 H MET A 11 16.824 -1.823 -30.004 1.00 53.43 H new ATOM 0 HA MET A 11 17.864 0.109 -28.225 1.00 33.03 H new ATOM 0 HB2 MET A 11 15.967 1.488 -28.956 1.00 31.14 H new ATOM 0 HB3 MET A 11 14.854 0.160 -28.695 1.00 31.14 H new ATOM 0 HG2 MET A 11 15.463 0.214 -26.246 1.00 73.11 H new ATOM 0 HG3 MET A 11 16.427 1.643 -26.563 1.00 73.11 H new ATOM 0 HE1 MET A 11 13.847 4.334 -27.569 1.00 15.35 H new ATOM 0 HE2 MET A 11 15.535 3.773 -27.638 1.00 15.35 H new ATOM 0 HE3 MET A 11 14.354 3.190 -28.834 1.00 15.35 H new ATOM 181 N SER A 12 17.716 -1.911 -26.780 1.00 52.53 N ATOM 182 CA SER A 12 17.587 -2.978 -25.803 1.00 24.32 C ATOM 183 C SER A 12 16.808 -2.486 -24.582 1.00 51.15 C ATOM 184 O SER A 12 17.327 -1.739 -23.751 1.00 61.14 O ATOM 185 CB SER A 12 18.969 -3.508 -25.414 1.00 51.55 C ATOM 186 OG SER A 12 19.891 -2.448 -25.201 1.00 41.30 O ATOM 0 H SER A 12 18.635 -1.470 -26.808 1.00 52.53 H new ATOM 0 HA SER A 12 17.027 -3.802 -26.244 1.00 24.32 H new ATOM 0 HB2 SER A 12 18.888 -4.109 -24.508 1.00 51.55 H new ATOM 0 HB3 SER A 12 19.343 -4.165 -26.200 1.00 51.55 H new ATOM 0 HG SER A 12 19.473 -1.757 -24.645 1.00 41.30 H new ATOM 192 N THR A 13 15.551 -2.890 -24.495 1.00 43.03 N ATOM 193 CA THR A 13 14.664 -2.400 -23.454 1.00 54.25 C ATOM 194 C THR A 13 14.554 -3.399 -22.304 1.00 53.51 C ATOM 195 O THR A 13 14.244 -4.572 -22.513 1.00 74.21 O ATOM 196 CB THR A 13 13.266 -2.122 -24.033 1.00 52.13 C ATOM 197 OG1 THR A 13 13.392 -1.383 -25.256 1.00 61.24 O ATOM 198 CG2 THR A 13 12.403 -1.339 -23.054 1.00 53.34 C ATOM 0 H THR A 13 15.122 -3.558 -25.135 1.00 43.03 H new ATOM 0 HA THR A 13 15.087 -1.474 -23.066 1.00 54.25 H new ATOM 0 HB THR A 13 12.781 -3.080 -24.221 1.00 52.13 H new ATOM 0 HG1 THR A 13 12.501 -1.208 -25.625 1.00 61.24 H new ATOM 0 HG21 THR A 13 11.423 -1.160 -23.496 1.00 53.34 H new ATOM 0 HG22 THR A 13 12.287 -1.911 -22.133 1.00 53.34 H new ATOM 0 HG23 THR A 13 12.880 -0.385 -22.831 1.00 53.34 H new ATOM 206 N PRO A 14 14.819 -2.941 -21.076 1.00 23.52 N ATOM 207 CA PRO A 14 14.749 -3.782 -19.889 1.00 21.45 C ATOM 208 C PRO A 14 13.328 -3.904 -19.342 1.00 22.44 C ATOM 209 O PRO A 14 12.464 -3.068 -19.625 1.00 73.31 O ATOM 210 CB PRO A 14 15.649 -3.049 -18.898 1.00 33.54 C ATOM 211 CG PRO A 14 15.563 -1.609 -19.284 1.00 73.42 C ATOM 212 CD PRO A 14 15.215 -1.561 -20.751 1.00 75.10 C ATOM 0 HA PRO A 14 15.056 -4.808 -20.091 1.00 21.45 H new ATOM 0 HB2 PRO A 14 15.313 -3.203 -17.872 1.00 33.54 H new ATOM 0 HB3 PRO A 14 16.675 -3.412 -18.955 1.00 33.54 H new ATOM 0 HG2 PRO A 14 14.805 -1.096 -18.692 1.00 73.42 H new ATOM 0 HG3 PRO A 14 16.510 -1.103 -19.096 1.00 73.42 H new ATOM 0 HD2 PRO A 14 14.404 -0.858 -20.945 1.00 75.10 H new ATOM 0 HD3 PRO A 14 16.066 -1.239 -21.351 1.00 75.10 H new ATOM 220 N LEU A 15 13.090 -4.953 -18.570 1.00 35.12 N ATOM 221 CA LEU A 15 11.786 -5.177 -17.962 1.00 52.10 C ATOM 222 C LEU A 15 11.964 -5.538 -16.491 1.00 54.25 C ATOM 223 O LEU A 15 12.629 -6.520 -16.160 1.00 14.43 O ATOM 224 CB LEU A 15 11.033 -6.290 -18.717 1.00 33.43 C ATOM 225 CG LEU A 15 9.515 -6.392 -18.462 1.00 51.14 C ATOM 226 CD1 LEU A 15 9.211 -6.953 -17.077 1.00 32.22 C ATOM 227 CD2 LEU A 15 8.850 -5.036 -18.643 1.00 13.13 C ATOM 0 H LEU A 15 13.785 -5.666 -18.349 1.00 35.12 H new ATOM 0 HA LEU A 15 11.193 -4.265 -18.027 1.00 52.10 H new ATOM 0 HB2 LEU A 15 11.190 -6.143 -19.786 1.00 33.43 H new ATOM 0 HB3 LEU A 15 11.487 -7.246 -18.457 1.00 33.43 H new ATOM 0 HG LEU A 15 9.106 -7.086 -19.196 1.00 51.14 H new ATOM 0 HD11 LEU A 15 8.132 -7.009 -16.936 1.00 32.22 H new ATOM 0 HD12 LEU A 15 9.641 -7.950 -16.986 1.00 32.22 H new ATOM 0 HD13 LEU A 15 9.643 -6.301 -16.318 1.00 32.22 H new ATOM 0 HD21 LEU A 15 7.780 -5.128 -18.459 1.00 13.13 H new ATOM 0 HD22 LEU A 15 9.279 -4.323 -17.939 1.00 13.13 H new ATOM 0 HD23 LEU A 15 9.014 -4.683 -19.661 1.00 13.13 H new ATOM 239 N THR A 16 11.381 -4.730 -15.615 1.00 50.03 N ATOM 240 CA THR A 16 11.458 -4.970 -14.181 1.00 41.32 C ATOM 241 C THR A 16 10.398 -4.144 -13.450 1.00 14.44 C ATOM 242 O THR A 16 10.001 -3.072 -13.920 1.00 42.11 O ATOM 243 CB THR A 16 12.869 -4.637 -13.631 1.00 54.05 C ATOM 244 OG1 THR A 16 12.950 -4.942 -12.233 1.00 44.12 O ATOM 245 CG2 THR A 16 13.219 -3.168 -13.853 1.00 2.31 C ATOM 0 H THR A 16 10.848 -3.900 -15.874 1.00 50.03 H new ATOM 0 HA THR A 16 11.269 -6.029 -14.006 1.00 41.32 H new ATOM 0 HB THR A 16 13.586 -5.251 -14.177 1.00 54.05 H new ATOM 0 HG1 THR A 16 13.847 -4.727 -11.903 1.00 44.12 H new ATOM 0 HG21 THR A 16 14.214 -2.967 -13.456 1.00 2.31 H new ATOM 0 HG22 THR A 16 13.202 -2.947 -14.920 1.00 2.31 H new ATOM 0 HG23 THR A 16 12.491 -2.539 -13.341 1.00 2.31 H new ATOM 253 N GLY A 17 9.916 -4.661 -12.330 1.00 3.30 N ATOM 254 CA GLY A 17 8.937 -3.946 -11.537 1.00 33.53 C ATOM 255 C GLY A 17 7.913 -4.877 -10.925 1.00 41.20 C ATOM 256 O GLY A 17 7.797 -6.029 -11.346 1.00 22.44 O ATOM 0 H GLY A 17 10.188 -5.569 -11.954 1.00 3.30 H new ATOM 0 HA2 GLY A 17 9.445 -3.395 -10.745 1.00 33.53 H new ATOM 0 HA3 GLY A 17 8.430 -3.211 -12.163 1.00 33.53 H new ATOM 260 N LYS A 18 7.176 -4.365 -9.940 1.00 53.20 N ATOM 261 CA LYS A 18 6.151 -5.132 -9.226 1.00 34.33 C ATOM 262 C LYS A 18 6.782 -6.222 -8.360 1.00 20.41 C ATOM 263 O LYS A 18 7.149 -7.293 -8.849 1.00 31.42 O ATOM 264 CB LYS A 18 5.129 -5.753 -10.187 1.00 24.21 C ATOM 265 CG LYS A 18 4.288 -4.738 -10.946 1.00 75.33 C ATOM 266 CD LYS A 18 3.280 -5.432 -11.846 1.00 71.35 C ATOM 267 CE LYS A 18 2.409 -4.432 -12.589 1.00 62.24 C ATOM 268 NZ LYS A 18 1.405 -5.108 -13.456 1.00 13.35 N ATOM 0 H LYS A 18 7.272 -3.404 -9.612 1.00 53.20 H new ATOM 0 HA LYS A 18 5.624 -4.430 -8.580 1.00 34.33 H new ATOM 0 HB2 LYS A 18 5.657 -6.380 -10.905 1.00 24.21 H new ATOM 0 HB3 LYS A 18 4.466 -6.407 -9.621 1.00 24.21 H new ATOM 0 HG2 LYS A 18 3.766 -4.092 -10.240 1.00 75.33 H new ATOM 0 HG3 LYS A 18 4.936 -4.098 -11.545 1.00 75.33 H new ATOM 0 HD2 LYS A 18 3.806 -6.061 -12.564 1.00 71.35 H new ATOM 0 HD3 LYS A 18 2.650 -6.090 -11.247 1.00 71.35 H new ATOM 0 HE2 LYS A 18 1.896 -3.792 -11.870 1.00 62.24 H new ATOM 0 HE3 LYS A 18 3.039 -3.785 -13.199 1.00 62.24 H new ATOM 0 HZ1 LYS A 18 0.831 -4.392 -13.945 1.00 13.35 H new ATOM 0 HZ2 LYS A 18 1.894 -5.699 -14.158 1.00 13.35 H new ATOM 0 HZ3 LYS A 18 0.787 -5.706 -12.871 1.00 13.35 H new ATOM 282 N PRO A 19 6.936 -5.949 -7.059 1.00 64.22 N ATOM 283 CA PRO A 19 7.466 -6.916 -6.101 1.00 75.20 C ATOM 284 C PRO A 19 6.430 -7.968 -5.718 1.00 21.44 C ATOM 285 O PRO A 19 5.225 -7.728 -5.810 1.00 23.02 O ATOM 286 CB PRO A 19 7.830 -6.061 -4.875 1.00 64.31 C ATOM 287 CG PRO A 19 7.603 -4.639 -5.281 1.00 2.12 C ATOM 288 CD PRO A 19 6.616 -4.676 -6.411 1.00 33.54 C ATOM 0 HA PRO A 19 8.310 -7.470 -6.512 1.00 75.20 H new ATOM 0 HB2 PRO A 19 7.211 -6.325 -4.018 1.00 64.31 H new ATOM 0 HB3 PRO A 19 8.867 -6.222 -4.581 1.00 64.31 H new ATOM 0 HG2 PRO A 19 7.217 -4.053 -4.447 1.00 2.12 H new ATOM 0 HG3 PRO A 19 8.536 -4.171 -5.595 1.00 2.12 H new ATOM 0 HD2 PRO A 19 5.587 -4.648 -6.054 1.00 33.54 H new ATOM 0 HD3 PRO A 19 6.741 -3.831 -7.089 1.00 33.54 H new ATOM 296 N GLY A 20 6.900 -9.134 -5.299 1.00 52.12 N ATOM 297 CA GLY A 20 5.997 -10.175 -4.851 1.00 11.15 C ATOM 298 C GLY A 20 5.476 -9.890 -3.463 1.00 33.41 C ATOM 299 O GLY A 20 4.294 -10.084 -3.178 1.00 65.12 O ATOM 0 H GLY A 20 7.890 -9.378 -5.261 1.00 52.12 H new ATOM 0 HA2 GLY A 20 5.161 -10.258 -5.546 1.00 11.15 H new ATOM 0 HA3 GLY A 20 6.513 -11.135 -4.858 1.00 11.15 H new ATOM 303 N ALA A 21 6.359 -9.407 -2.607 1.00 65.31 N ATOM 304 CA ALA A 21 5.994 -9.029 -1.255 1.00 62.34 C ATOM 305 C ALA A 21 5.994 -7.509 -1.126 1.00 44.14 C ATOM 306 O ALA A 21 5.887 -6.796 -2.128 1.00 12.44 O ATOM 307 CB ALA A 21 6.957 -9.660 -0.258 1.00 71.51 C ATOM 0 H ALA A 21 7.345 -9.267 -2.829 1.00 65.31 H new ATOM 0 HA ALA A 21 4.991 -9.394 -1.036 1.00 62.34 H new ATOM 0 HB1 ALA A 21 6.675 -9.370 0.754 1.00 71.51 H new ATOM 0 HB2 ALA A 21 6.916 -10.745 -0.349 1.00 71.51 H new ATOM 0 HB3 ALA A 21 7.971 -9.317 -0.464 1.00 71.51 H new ATOM 313 N LEU A 22 6.091 -7.019 0.100 1.00 14.30 N ATOM 314 CA LEU A 22 6.181 -5.591 0.352 1.00 41.24 C ATOM 315 C LEU A 22 7.459 -5.280 1.115 1.00 5.22 C ATOM 316 O LEU A 22 7.957 -6.120 1.865 1.00 51.43 O ATOM 317 CB LEU A 22 4.981 -5.106 1.166 1.00 11.34 C ATOM 318 CG LEU A 22 3.617 -5.303 0.514 1.00 62.12 C ATOM 319 CD1 LEU A 22 2.523 -4.898 1.482 1.00 55.45 C ATOM 320 CD2 LEU A 22 3.517 -4.501 -0.773 1.00 2.03 C ATOM 0 H LEU A 22 6.109 -7.595 0.941 1.00 14.30 H new ATOM 0 HA LEU A 22 6.188 -5.076 -0.609 1.00 41.24 H new ATOM 0 HB2 LEU A 22 4.983 -5.624 2.125 1.00 11.34 H new ATOM 0 HB3 LEU A 22 5.113 -4.045 1.376 1.00 11.34 H new ATOM 0 HG LEU A 22 3.495 -6.357 0.264 1.00 62.12 H new ATOM 0 HD11 LEU A 22 1.550 -5.040 1.012 1.00 55.45 H new ATOM 0 HD12 LEU A 22 2.586 -5.513 2.380 1.00 55.45 H new ATOM 0 HD13 LEU A 22 2.646 -3.849 1.751 1.00 55.45 H new ATOM 0 HD21 LEU A 22 2.536 -4.655 -1.223 1.00 2.03 H new ATOM 0 HD22 LEU A 22 3.653 -3.442 -0.553 1.00 2.03 H new ATOM 0 HD23 LEU A 22 4.290 -4.830 -1.467 1.00 2.03 H new ATOM 332 N PRO A 23 8.016 -4.080 0.924 1.00 41.23 N ATOM 333 CA PRO A 23 9.166 -3.623 1.697 1.00 3.00 C ATOM 334 C PRO A 23 8.760 -3.232 3.117 1.00 44.24 C ATOM 335 O PRO A 23 7.596 -2.922 3.376 1.00 15.14 O ATOM 336 CB PRO A 23 9.656 -2.402 0.915 1.00 71.21 C ATOM 337 CG PRO A 23 8.444 -1.883 0.220 1.00 21.11 C ATOM 338 CD PRO A 23 7.574 -3.079 -0.065 1.00 63.21 C ATOM 0 HA PRO A 23 9.929 -4.393 1.813 1.00 3.00 H new ATOM 0 HB2 PRO A 23 10.082 -1.651 1.580 1.00 71.21 H new ATOM 0 HB3 PRO A 23 10.434 -2.675 0.202 1.00 71.21 H new ATOM 0 HG2 PRO A 23 7.918 -1.160 0.843 1.00 21.11 H new ATOM 0 HG3 PRO A 23 8.715 -1.371 -0.703 1.00 21.11 H new ATOM 0 HD2 PRO A 23 6.517 -2.841 0.052 1.00 63.21 H new ATOM 0 HD3 PRO A 23 7.709 -3.438 -1.085 1.00 63.21 H new ATOM 346 N ALA A 24 9.716 -3.252 4.034 1.00 54.50 N ATOM 347 CA ALA A 24 9.465 -2.858 5.414 1.00 63.44 C ATOM 348 C ALA A 24 9.307 -1.346 5.508 1.00 52.44 C ATOM 349 O ALA A 24 8.806 -0.810 6.493 1.00 64.31 O ATOM 350 CB ALA A 24 10.603 -3.327 6.308 1.00 42.15 C ATOM 0 H ALA A 24 10.677 -3.538 3.847 1.00 54.50 H new ATOM 0 HA ALA A 24 8.540 -3.327 5.751 1.00 63.44 H new ATOM 0 HB1 ALA A 24 10.405 -3.027 7.337 1.00 42.15 H new ATOM 0 HB2 ALA A 24 10.683 -4.413 6.256 1.00 42.15 H new ATOM 0 HB3 ALA A 24 11.538 -2.878 5.973 1.00 42.15 H new ATOM 356 N ASN A 25 9.719 -0.668 4.453 1.00 21.23 N ATOM 357 CA ASN A 25 9.730 0.783 4.427 1.00 64.31 C ATOM 358 C ASN A 25 8.446 1.345 3.823 1.00 64.52 C ATOM 359 O ASN A 25 8.486 2.319 3.077 1.00 71.13 O ATOM 360 CB ASN A 25 10.939 1.281 3.631 1.00 64.52 C ATOM 361 CG ASN A 25 12.258 1.055 4.348 1.00 74.34 C ATOM 362 OD1 ASN A 25 12.418 0.098 5.107 1.00 3.10 O ATOM 363 ND2 ASN A 25 13.218 1.928 4.100 1.00 51.44 N ATOM 0 H ASN A 25 10.054 -1.105 3.594 1.00 21.23 H new ATOM 0 HA ASN A 25 9.798 1.134 5.457 1.00 64.31 H new ATOM 0 HB2 ASN A 25 10.965 0.774 2.666 1.00 64.52 H new ATOM 0 HB3 ASN A 25 10.820 2.345 3.429 1.00 64.52 H new ATOM 0 HD21 ASN A 25 14.130 1.822 4.543 1.00 51.44 H new ATOM 0 HD22 ASN A 25 13.047 2.708 3.465 1.00 51.44 H new ATOM 370 N LEU A 26 7.306 0.757 4.171 1.00 3.31 N ATOM 371 CA LEU A 26 6.018 1.236 3.668 1.00 53.25 C ATOM 372 C LEU A 26 5.734 2.656 4.154 1.00 21.41 C ATOM 373 O LEU A 26 5.150 3.462 3.434 1.00 1.45 O ATOM 374 CB LEU A 26 4.878 0.307 4.095 1.00 73.25 C ATOM 375 CG LEU A 26 4.874 -1.071 3.430 1.00 24.15 C ATOM 376 CD1 LEU A 26 3.671 -1.878 3.889 1.00 2.41 C ATOM 377 CD2 LEU A 26 4.871 -0.933 1.915 1.00 24.52 C ATOM 0 H LEU A 26 7.245 -0.047 4.795 1.00 3.31 H new ATOM 0 HA LEU A 26 6.076 1.241 2.580 1.00 53.25 H new ATOM 0 HB2 LEU A 26 4.928 0.171 5.175 1.00 73.25 H new ATOM 0 HB3 LEU A 26 3.930 0.799 3.879 1.00 73.25 H new ATOM 0 HG LEU A 26 5.780 -1.598 3.727 1.00 24.15 H new ATOM 0 HD11 LEU A 26 3.683 -2.855 3.407 1.00 2.41 H new ATOM 0 HD12 LEU A 26 3.710 -2.007 4.971 1.00 2.41 H new ATOM 0 HD13 LEU A 26 2.755 -1.352 3.619 1.00 2.41 H new ATOM 0 HD21 LEU A 26 4.868 -1.923 1.459 1.00 24.52 H new ATOM 0 HD22 LEU A 26 3.982 -0.387 1.601 1.00 24.52 H new ATOM 0 HD23 LEU A 26 5.761 -0.390 1.597 1.00 24.52 H new ATOM 389 N ASP A 27 6.160 2.958 5.375 1.00 41.43 N ATOM 390 CA ASP A 27 5.987 4.299 5.930 1.00 32.21 C ATOM 391 C ASP A 27 7.084 5.228 5.425 1.00 11.44 C ATOM 392 O ASP A 27 6.940 6.452 5.436 1.00 71.10 O ATOM 393 CB ASP A 27 5.993 4.264 7.459 1.00 35.10 C ATOM 394 CG ASP A 27 5.936 5.653 8.066 1.00 55.41 C ATOM 395 OD1 ASP A 27 5.007 6.416 7.734 1.00 24.24 O ATOM 396 OD2 ASP A 27 6.840 5.999 8.853 1.00 43.11 O ATOM 0 H ASP A 27 6.625 2.298 5.998 1.00 41.43 H new ATOM 0 HA ASP A 27 5.020 4.678 5.599 1.00 32.21 H new ATOM 0 HB2 ASP A 27 5.142 3.681 7.810 1.00 35.10 H new ATOM 0 HB3 ASP A 27 6.893 3.755 7.805 1.00 35.10 H new ATOM 401 N ASP A 28 8.182 4.632 4.983 1.00 31.45 N ATOM 402 CA ASP A 28 9.293 5.388 4.421 1.00 2.40 C ATOM 403 C ASP A 28 8.944 5.824 3.005 1.00 73.55 C ATOM 404 O ASP A 28 9.475 6.807 2.490 1.00 35.40 O ATOM 405 CB ASP A 28 10.568 4.540 4.429 1.00 35.22 C ATOM 406 CG ASP A 28 11.774 5.269 3.869 1.00 42.01 C ATOM 407 OD1 ASP A 28 12.253 6.221 4.518 1.00 63.10 O ATOM 408 OD2 ASP A 28 12.260 4.880 2.785 1.00 22.41 O ATOM 0 H ASP A 28 8.328 3.623 5.003 1.00 31.45 H new ATOM 0 HA ASP A 28 9.473 6.275 5.029 1.00 2.40 H new ATOM 0 HB2 ASP A 28 10.783 4.228 5.451 1.00 35.22 H new ATOM 0 HB3 ASP A 28 10.397 3.634 3.848 1.00 35.22 H new ATOM 413 N MET A 29 8.041 5.078 2.384 1.00 15.23 N ATOM 414 CA MET A 29 7.502 5.437 1.081 1.00 33.31 C ATOM 415 C MET A 29 6.431 6.512 1.242 1.00 30.11 C ATOM 416 O MET A 29 5.801 6.623 2.295 1.00 3.22 O ATOM 417 CB MET A 29 6.907 4.204 0.391 1.00 71.51 C ATOM 418 CG MET A 29 7.933 3.134 0.058 1.00 30.21 C ATOM 419 SD MET A 29 7.188 1.606 -0.548 1.00 15.41 S ATOM 420 CE MET A 29 6.305 2.195 -1.989 1.00 12.12 C ATOM 0 H MET A 29 7.663 4.211 2.767 1.00 15.23 H new ATOM 0 HA MET A 29 8.310 5.826 0.462 1.00 33.31 H new ATOM 0 HB2 MET A 29 6.141 3.772 1.036 1.00 71.51 H new ATOM 0 HB3 MET A 29 6.411 4.517 -0.528 1.00 71.51 H new ATOM 0 HG2 MET A 29 8.621 3.520 -0.695 1.00 30.21 H new ATOM 0 HG3 MET A 29 8.524 2.916 0.948 1.00 30.21 H new ATOM 0 HE1 MET A 29 5.838 1.353 -2.499 1.00 12.12 H new ATOM 0 HE2 MET A 29 5.537 2.904 -1.680 1.00 12.12 H new ATOM 0 HE3 MET A 29 7.002 2.688 -2.667 1.00 12.12 H new ATOM 430 N LYS A 30 6.230 7.308 0.204 1.00 43.50 N ATOM 431 CA LYS A 30 5.251 8.385 0.249 1.00 14.31 C ATOM 432 C LYS A 30 3.874 7.875 -0.140 1.00 5.41 C ATOM 433 O LYS A 30 3.716 6.720 -0.531 1.00 5.34 O ATOM 434 CB LYS A 30 5.646 9.508 -0.701 1.00 73.33 C ATOM 435 CG LYS A 30 7.084 9.947 -0.559 1.00 71.51 C ATOM 436 CD LYS A 30 7.433 11.002 -1.584 1.00 21.51 C ATOM 437 CE LYS A 30 8.929 11.222 -1.651 1.00 32.32 C ATOM 438 NZ LYS A 30 9.652 9.993 -2.072 1.00 72.23 N ATOM 0 H LYS A 30 6.731 7.229 -0.681 1.00 43.50 H new ATOM 0 HA LYS A 30 5.223 8.764 1.271 1.00 14.31 H new ATOM 0 HB2 LYS A 30 5.475 9.181 -1.727 1.00 73.33 H new ATOM 0 HB3 LYS A 30 4.995 10.365 -0.527 1.00 73.33 H new ATOM 0 HG2 LYS A 30 7.250 10.340 0.444 1.00 71.51 H new ATOM 0 HG3 LYS A 30 7.744 9.087 -0.678 1.00 71.51 H new ATOM 0 HD2 LYS A 30 7.063 10.699 -2.563 1.00 21.51 H new ATOM 0 HD3 LYS A 30 6.935 11.938 -1.331 1.00 21.51 H new ATOM 0 HE2 LYS A 30 9.146 12.029 -2.351 1.00 32.32 H new ATOM 0 HE3 LYS A 30 9.293 11.541 -0.674 1.00 32.32 H new ATOM 0 HZ1 LYS A 30 10.330 10.230 -2.824 1.00 72.23 H new ATOM 0 HZ2 LYS A 30 10.162 9.595 -1.258 1.00 72.23 H new ATOM 0 HZ3 LYS A 30 8.970 9.294 -2.429 1.00 72.23 H new ATOM 452 N VAL A 31 2.891 8.759 -0.067 1.00 64.11 N ATOM 453 CA VAL A 31 1.519 8.417 -0.423 1.00 42.13 C ATOM 454 C VAL A 31 1.432 8.024 -1.897 1.00 60.43 C ATOM 455 O VAL A 31 0.687 7.116 -2.269 1.00 42.33 O ATOM 456 CB VAL A 31 0.558 9.597 -0.141 1.00 42.22 C ATOM 457 CG1 VAL A 31 -0.875 9.248 -0.524 1.00 43.43 C ATOM 458 CG2 VAL A 31 0.634 10.009 1.323 1.00 30.52 C ATOM 0 H VAL A 31 3.017 9.724 0.237 1.00 64.11 H new ATOM 0 HA VAL A 31 1.218 7.570 0.193 1.00 42.13 H new ATOM 0 HB VAL A 31 0.873 10.439 -0.758 1.00 42.22 H new ATOM 0 HG11 VAL A 31 -1.525 10.097 -0.314 1.00 43.43 H new ATOM 0 HG12 VAL A 31 -0.920 9.011 -1.587 1.00 43.43 H new ATOM 0 HG13 VAL A 31 -1.206 8.386 0.054 1.00 43.43 H new ATOM 0 HG21 VAL A 31 -0.048 10.840 1.503 1.00 30.52 H new ATOM 0 HG22 VAL A 31 0.353 9.165 1.953 1.00 30.52 H new ATOM 0 HG23 VAL A 31 1.652 10.317 1.562 1.00 30.52 H new ATOM 468 N ALA A 32 2.226 8.696 -2.724 1.00 52.34 N ATOM 469 CA ALA A 32 2.216 8.459 -4.163 1.00 50.32 C ATOM 470 C ALA A 32 2.696 7.050 -4.511 1.00 43.32 C ATOM 471 O ALA A 32 1.959 6.278 -5.122 1.00 13.34 O ATOM 472 CB ALA A 32 3.061 9.503 -4.873 1.00 54.24 C ATOM 0 H ALA A 32 2.887 9.412 -2.421 1.00 52.34 H new ATOM 0 HA ALA A 32 1.185 8.544 -4.506 1.00 50.32 H new ATOM 0 HB1 ALA A 32 3.045 9.315 -5.947 1.00 54.24 H new ATOM 0 HB2 ALA A 32 2.657 10.495 -4.672 1.00 54.24 H new ATOM 0 HB3 ALA A 32 4.087 9.449 -4.510 1.00 54.24 H new ATOM 478 N GLU A 33 3.924 6.715 -4.120 1.00 3.24 N ATOM 479 CA GLU A 33 4.485 5.396 -4.417 1.00 32.15 C ATOM 480 C GLU A 33 3.674 4.270 -3.773 1.00 14.31 C ATOM 481 O GLU A 33 3.625 3.161 -4.307 1.00 32.42 O ATOM 482 CB GLU A 33 5.962 5.298 -4.003 1.00 42.23 C ATOM 483 CG GLU A 33 6.347 6.164 -2.816 1.00 61.35 C ATOM 484 CD GLU A 33 6.825 7.538 -3.236 1.00 13.33 C ATOM 485 OE1 GLU A 33 5.988 8.358 -3.658 1.00 41.22 O ATOM 486 OE2 GLU A 33 8.043 7.802 -3.147 1.00 45.24 O ATOM 0 H GLU A 33 4.547 7.333 -3.600 1.00 3.24 H new ATOM 0 HA GLU A 33 4.427 5.273 -5.499 1.00 32.15 H new ATOM 0 HB2 GLU A 33 6.191 4.259 -3.767 1.00 42.23 H new ATOM 0 HB3 GLU A 33 6.583 5.576 -4.855 1.00 42.23 H new ATOM 0 HG2 GLU A 33 5.489 6.268 -2.152 1.00 61.35 H new ATOM 0 HG3 GLU A 33 7.133 5.667 -2.247 1.00 61.35 H new ATOM 493 N LEU A 34 3.032 4.545 -2.641 1.00 34.01 N ATOM 494 CA LEU A 34 2.156 3.556 -2.020 1.00 75.30 C ATOM 495 C LEU A 34 0.963 3.265 -2.922 1.00 63.10 C ATOM 496 O LEU A 34 0.560 2.113 -3.084 1.00 71.12 O ATOM 497 CB LEU A 34 1.672 4.026 -0.645 1.00 73.52 C ATOM 498 CG LEU A 34 2.745 4.052 0.449 1.00 73.21 C ATOM 499 CD1 LEU A 34 2.155 4.542 1.762 1.00 63.45 C ATOM 500 CD2 LEU A 34 3.360 2.672 0.627 1.00 52.45 C ATOM 0 H LEU A 34 3.100 5.431 -2.141 1.00 34.01 H new ATOM 0 HA LEU A 34 2.732 2.641 -1.882 1.00 75.30 H new ATOM 0 HB2 LEU A 34 1.255 5.028 -0.747 1.00 73.52 H new ATOM 0 HB3 LEU A 34 0.860 3.375 -0.321 1.00 73.52 H new ATOM 0 HG LEU A 34 3.530 4.743 0.143 1.00 73.21 H new ATOM 0 HD11 LEU A 34 2.931 4.554 2.528 1.00 63.45 H new ATOM 0 HD12 LEU A 34 1.760 5.549 1.630 1.00 63.45 H new ATOM 0 HD13 LEU A 34 1.351 3.874 2.071 1.00 63.45 H new ATOM 0 HD21 LEU A 34 4.120 2.710 1.408 1.00 52.45 H new ATOM 0 HD22 LEU A 34 2.584 1.961 0.910 1.00 52.45 H new ATOM 0 HD23 LEU A 34 3.818 2.354 -0.310 1.00 52.45 H new ATOM 512 N LYS A 35 0.415 4.312 -3.528 1.00 41.01 N ATOM 513 CA LYS A 35 -0.693 4.157 -4.460 1.00 71.23 C ATOM 514 C LYS A 35 -0.227 3.493 -5.752 1.00 0.25 C ATOM 515 O LYS A 35 -1.003 2.809 -6.416 1.00 22.43 O ATOM 516 CB LYS A 35 -1.339 5.508 -4.770 1.00 43.34 C ATOM 517 CG LYS A 35 -2.077 6.109 -3.586 1.00 44.45 C ATOM 518 CD LYS A 35 -2.759 7.415 -3.955 1.00 70.02 C ATOM 519 CE LYS A 35 -3.555 7.972 -2.788 1.00 4.31 C ATOM 520 NZ LYS A 35 -4.285 9.212 -3.156 1.00 33.44 N ATOM 0 H LYS A 35 0.720 5.276 -3.390 1.00 41.01 H new ATOM 0 HA LYS A 35 -1.437 3.516 -3.987 1.00 71.23 H new ATOM 0 HB2 LYS A 35 -0.568 6.204 -5.099 1.00 43.34 H new ATOM 0 HB3 LYS A 35 -2.035 5.388 -5.600 1.00 43.34 H new ATOM 0 HG2 LYS A 35 -2.821 5.400 -3.222 1.00 44.45 H new ATOM 0 HG3 LYS A 35 -1.376 6.282 -2.770 1.00 44.45 H new ATOM 0 HD2 LYS A 35 -2.010 8.143 -4.267 1.00 70.02 H new ATOM 0 HD3 LYS A 35 -3.421 7.254 -4.806 1.00 70.02 H new ATOM 0 HE2 LYS A 35 -4.266 7.221 -2.443 1.00 4.31 H new ATOM 0 HE3 LYS A 35 -2.882 8.180 -1.956 1.00 4.31 H new ATOM 0 HZ1 LYS A 35 -4.816 9.560 -2.332 1.00 33.44 H new ATOM 0 HZ2 LYS A 35 -3.605 9.937 -3.462 1.00 33.44 H new ATOM 0 HZ3 LYS A 35 -4.946 9.008 -3.933 1.00 33.44 H new ATOM 534 N GLN A 36 1.042 3.699 -6.102 1.00 41.43 N ATOM 535 CA GLN A 36 1.624 3.069 -7.284 1.00 73.15 C ATOM 536 C GLN A 36 1.562 1.552 -7.162 1.00 51.45 C ATOM 537 O GLN A 36 1.189 0.865 -8.111 1.00 54.00 O ATOM 538 CB GLN A 36 3.069 3.531 -7.492 1.00 40.21 C ATOM 539 CG GLN A 36 3.180 4.996 -7.891 1.00 14.03 C ATOM 540 CD GLN A 36 2.554 5.286 -9.243 1.00 73.52 C ATOM 541 OE1 GLN A 36 2.004 6.363 -9.466 1.00 73.31 O ATOM 542 NE2 GLN A 36 2.665 4.344 -10.167 1.00 32.45 N ATOM 0 H GLN A 36 1.686 4.297 -5.584 1.00 41.43 H new ATOM 0 HA GLN A 36 1.042 3.372 -8.154 1.00 73.15 H new ATOM 0 HB2 GLN A 36 3.631 3.368 -6.573 1.00 40.21 H new ATOM 0 HB3 GLN A 36 3.533 2.915 -8.263 1.00 40.21 H new ATOM 0 HG2 GLN A 36 2.697 5.612 -7.132 1.00 14.03 H new ATOM 0 HG3 GLN A 36 4.231 5.283 -7.913 1.00 14.03 H new ATOM 0 HE21 GLN A 36 3.128 3.463 -9.944 1.00 32.45 H new ATOM 0 HE22 GLN A 36 2.287 4.499 -11.102 1.00 32.45 H new ATOM 551 N GLU A 37 1.912 1.040 -5.986 1.00 20.22 N ATOM 552 CA GLU A 37 1.782 -0.386 -5.708 1.00 72.45 C ATOM 553 C GLU A 37 0.328 -0.821 -5.833 1.00 4.32 C ATOM 554 O GLU A 37 0.015 -1.796 -6.511 1.00 61.01 O ATOM 555 CB GLU A 37 2.302 -0.717 -4.306 1.00 15.40 C ATOM 556 CG GLU A 37 3.811 -0.868 -4.231 1.00 35.11 C ATOM 557 CD GLU A 37 4.314 -2.022 -5.076 1.00 30.42 C ATOM 558 OE1 GLU A 37 4.124 -3.190 -4.672 1.00 74.21 O ATOM 559 OE2 GLU A 37 4.891 -1.765 -6.156 1.00 1.43 O ATOM 0 H GLU A 37 2.287 1.589 -5.213 1.00 20.22 H new ATOM 0 HA GLU A 37 2.381 -0.928 -6.440 1.00 72.45 H new ATOM 0 HB2 GLU A 37 1.990 0.069 -3.618 1.00 15.40 H new ATOM 0 HB3 GLU A 37 1.836 -1.642 -3.965 1.00 15.40 H new ATOM 0 HG2 GLU A 37 4.284 0.056 -4.563 1.00 35.11 H new ATOM 0 HG3 GLU A 37 4.108 -1.023 -3.194 1.00 35.11 H new ATOM 566 N LEU A 38 -0.557 -0.069 -5.194 1.00 10.24 N ATOM 567 CA LEU A 38 -1.979 -0.388 -5.181 1.00 12.31 C ATOM 568 C LEU A 38 -2.555 -0.471 -6.598 1.00 3.14 C ATOM 569 O LEU A 38 -3.173 -1.469 -6.965 1.00 14.13 O ATOM 570 CB LEU A 38 -2.744 0.660 -4.371 1.00 54.04 C ATOM 571 CG LEU A 38 -2.367 0.752 -2.890 1.00 4.01 C ATOM 572 CD1 LEU A 38 -2.984 1.987 -2.269 1.00 43.12 C ATOM 573 CD2 LEU A 38 -2.820 -0.493 -2.138 1.00 15.41 C ATOM 0 H LEU A 38 -0.313 0.773 -4.673 1.00 10.24 H new ATOM 0 HA LEU A 38 -2.094 -1.367 -4.715 1.00 12.31 H new ATOM 0 HB2 LEU A 38 -2.585 1.636 -4.830 1.00 54.04 H new ATOM 0 HB3 LEU A 38 -3.810 0.443 -4.444 1.00 54.04 H new ATOM 0 HG LEU A 38 -1.282 0.822 -2.818 1.00 4.01 H new ATOM 0 HD11 LEU A 38 -2.709 2.041 -1.216 1.00 43.12 H new ATOM 0 HD12 LEU A 38 -2.619 2.875 -2.785 1.00 43.12 H new ATOM 0 HD13 LEU A 38 -4.069 1.936 -2.358 1.00 43.12 H new ATOM 0 HD21 LEU A 38 -2.541 -0.405 -1.088 1.00 15.41 H new ATOM 0 HD22 LEU A 38 -3.902 -0.593 -2.219 1.00 15.41 H new ATOM 0 HD23 LEU A 38 -2.341 -1.372 -2.568 1.00 15.41 H new ATOM 585 N LYS A 39 -2.324 0.560 -7.400 1.00 61.24 N ATOM 586 CA LYS A 39 -2.938 0.645 -8.725 1.00 61.22 C ATOM 587 C LYS A 39 -2.338 -0.373 -9.694 1.00 44.13 C ATOM 588 O LYS A 39 -2.935 -0.692 -10.723 1.00 72.24 O ATOM 589 CB LYS A 39 -2.810 2.067 -9.283 1.00 53.23 C ATOM 590 CG LYS A 39 -1.386 2.501 -9.591 1.00 12.41 C ATOM 591 CD LYS A 39 -1.300 4.006 -9.800 1.00 62.25 C ATOM 592 CE LYS A 39 -2.287 4.490 -10.852 1.00 24.43 C ATOM 593 NZ LYS A 39 -2.258 5.968 -11.004 1.00 65.11 N ATOM 0 H LYS A 39 -1.720 1.347 -7.161 1.00 61.24 H new ATOM 0 HA LYS A 39 -3.996 0.405 -8.616 1.00 61.22 H new ATOM 0 HB2 LYS A 39 -3.403 2.140 -10.195 1.00 53.23 H new ATOM 0 HB3 LYS A 39 -3.241 2.765 -8.565 1.00 53.23 H new ATOM 0 HG2 LYS A 39 -0.729 2.207 -8.773 1.00 12.41 H new ATOM 0 HG3 LYS A 39 -1.032 1.987 -10.484 1.00 12.41 H new ATOM 0 HD2 LYS A 39 -1.496 4.515 -8.857 1.00 62.25 H new ATOM 0 HD3 LYS A 39 -0.287 4.273 -10.102 1.00 62.25 H new ATOM 0 HE2 LYS A 39 -2.055 4.022 -11.809 1.00 24.43 H new ATOM 0 HE3 LYS A 39 -3.293 4.173 -10.578 1.00 24.43 H new ATOM 0 HZ1 LYS A 39 -2.945 6.256 -11.730 1.00 65.11 H new ATOM 0 HZ2 LYS A 39 -2.504 6.415 -10.098 1.00 65.11 H new ATOM 0 HZ3 LYS A 39 -1.305 6.269 -11.291 1.00 65.11 H new ATOM 607 N LEU A 40 -1.156 -0.875 -9.373 1.00 61.34 N ATOM 608 CA LEU A 40 -0.526 -1.905 -10.189 1.00 32.01 C ATOM 609 C LEU A 40 -0.983 -3.298 -9.768 1.00 40.41 C ATOM 610 O LEU A 40 -1.102 -4.199 -10.596 1.00 54.41 O ATOM 611 CB LEU A 40 0.998 -1.813 -10.097 1.00 54.12 C ATOM 612 CG LEU A 40 1.619 -0.590 -10.772 1.00 70.21 C ATOM 613 CD1 LEU A 40 3.132 -0.615 -10.623 1.00 43.52 C ATOM 614 CD2 LEU A 40 1.233 -0.536 -12.242 1.00 11.34 C ATOM 0 H LEU A 40 -0.614 -0.589 -8.557 1.00 61.34 H new ATOM 0 HA LEU A 40 -0.831 -1.736 -11.222 1.00 32.01 H new ATOM 0 HB2 LEU A 40 1.283 -1.811 -9.045 1.00 54.12 H new ATOM 0 HB3 LEU A 40 1.428 -2.711 -10.542 1.00 54.12 H new ATOM 0 HG LEU A 40 1.235 0.305 -10.283 1.00 70.21 H new ATOM 0 HD11 LEU A 40 3.560 0.262 -11.109 1.00 43.52 H new ATOM 0 HD12 LEU A 40 3.394 -0.608 -9.565 1.00 43.52 H new ATOM 0 HD13 LEU A 40 3.529 -1.517 -11.089 1.00 43.52 H new ATOM 0 HD21 LEU A 40 1.685 0.341 -12.705 1.00 11.34 H new ATOM 0 HD22 LEU A 40 1.589 -1.435 -12.745 1.00 11.34 H new ATOM 0 HD23 LEU A 40 0.148 -0.475 -12.331 1.00 11.34 H new ATOM 626 N ARG A 41 -1.261 -3.462 -8.481 1.00 34.35 N ATOM 627 CA ARG A 41 -1.549 -4.779 -7.919 1.00 44.43 C ATOM 628 C ARG A 41 -3.046 -4.966 -7.662 1.00 60.50 C ATOM 629 O ARG A 41 -3.443 -5.763 -6.813 1.00 43.02 O ATOM 630 CB ARG A 41 -0.743 -4.968 -6.629 1.00 12.45 C ATOM 631 CG ARG A 41 0.751 -4.736 -6.832 1.00 25.42 C ATOM 632 CD ARG A 41 1.524 -4.787 -5.524 1.00 12.14 C ATOM 633 NE ARG A 41 1.653 -6.149 -5.020 1.00 60.31 N ATOM 634 CZ ARG A 41 2.681 -6.576 -4.287 1.00 44.50 C ATOM 635 NH1 ARG A 41 3.669 -5.746 -3.955 1.00 22.13 N ATOM 636 NH2 ARG A 41 2.725 -7.843 -3.897 1.00 4.55 N ATOM 0 H ARG A 41 -1.294 -2.699 -7.804 1.00 34.35 H new ATOM 0 HA ARG A 41 -1.254 -5.539 -8.642 1.00 44.43 H new ATOM 0 HB2 ARG A 41 -1.114 -4.280 -5.869 1.00 12.45 H new ATOM 0 HB3 ARG A 41 -0.902 -5.978 -6.250 1.00 12.45 H new ATOM 0 HG2 ARG A 41 1.144 -5.490 -7.514 1.00 25.42 H new ATOM 0 HG3 ARG A 41 0.905 -3.766 -7.305 1.00 25.42 H new ATOM 0 HD2 ARG A 41 2.516 -4.359 -5.672 1.00 12.14 H new ATOM 0 HD3 ARG A 41 1.019 -4.171 -4.780 1.00 12.14 H new ATOM 0 HE ARG A 41 0.913 -6.815 -5.242 1.00 60.31 H new ATOM 0 HH11 ARG A 41 3.643 -4.774 -4.262 1.00 22.13 H new ATOM 0 HH12 ARG A 41 4.451 -6.083 -3.394 1.00 22.13 H new ATOM 0 HH21 ARG A 41 1.975 -8.483 -4.158 1.00 4.55 H new ATOM 0 HH22 ARG A 41 3.509 -8.177 -3.336 1.00 4.55 H new ATOM 650 N SER A 42 -3.862 -4.220 -8.410 1.00 34.01 N ATOM 651 CA SER A 42 -5.320 -4.372 -8.380 1.00 44.43 C ATOM 652 C SER A 42 -5.884 -4.027 -6.998 1.00 25.34 C ATOM 653 O SER A 42 -6.823 -4.660 -6.507 1.00 1.44 O ATOM 654 CB SER A 42 -5.706 -5.804 -8.783 1.00 52.22 C ATOM 655 OG SER A 42 -7.073 -5.888 -9.165 1.00 61.34 O ATOM 0 H SER A 42 -3.534 -3.497 -9.051 1.00 34.01 H new ATOM 0 HA SER A 42 -5.754 -3.675 -9.097 1.00 44.43 H new ATOM 0 HB2 SER A 42 -5.076 -6.133 -9.609 1.00 52.22 H new ATOM 0 HB3 SER A 42 -5.518 -6.481 -7.949 1.00 52.22 H new ATOM 0 HG SER A 42 -7.635 -5.517 -8.453 1.00 61.34 H new ATOM 661 N LEU A 43 -5.320 -2.999 -6.386 1.00 74.12 N ATOM 662 CA LEU A 43 -5.739 -2.561 -5.066 1.00 43.54 C ATOM 663 C LEU A 43 -6.313 -1.148 -5.126 1.00 42.42 C ATOM 664 O LEU A 43 -5.875 -0.332 -5.939 1.00 23.01 O ATOM 665 CB LEU A 43 -4.545 -2.595 -4.118 1.00 61.42 C ATOM 666 CG LEU A 43 -4.028 -3.989 -3.765 1.00 73.00 C ATOM 667 CD1 LEU A 43 -2.609 -3.909 -3.225 1.00 61.20 C ATOM 668 CD2 LEU A 43 -4.945 -4.636 -2.743 1.00 72.15 C ATOM 0 H LEU A 43 -4.562 -2.447 -6.788 1.00 74.12 H new ATOM 0 HA LEU A 43 -6.516 -3.233 -4.701 1.00 43.54 H new ATOM 0 HB2 LEU A 43 -3.730 -2.027 -4.567 1.00 61.42 H new ATOM 0 HB3 LEU A 43 -4.820 -2.084 -3.196 1.00 61.42 H new ATOM 0 HG LEU A 43 -4.018 -4.599 -4.668 1.00 73.00 H new ATOM 0 HD11 LEU A 43 -2.256 -4.911 -2.979 1.00 61.20 H new ATOM 0 HD12 LEU A 43 -1.957 -3.470 -3.980 1.00 61.20 H new ATOM 0 HD13 LEU A 43 -2.595 -3.289 -2.329 1.00 61.20 H new ATOM 0 HD21 LEU A 43 -4.571 -5.629 -2.496 1.00 72.15 H new ATOM 0 HD22 LEU A 43 -4.974 -4.024 -1.841 1.00 72.15 H new ATOM 0 HD23 LEU A 43 -5.950 -4.720 -3.157 1.00 72.15 H new ATOM 680 N PRO A 44 -7.315 -0.852 -4.282 1.00 34.24 N ATOM 681 CA PRO A 44 -7.889 0.496 -4.173 1.00 21.22 C ATOM 682 C PRO A 44 -6.860 1.519 -3.691 1.00 43.31 C ATOM 683 O PRO A 44 -6.290 1.375 -2.605 1.00 52.20 O ATOM 684 CB PRO A 44 -9.006 0.337 -3.134 1.00 23.31 C ATOM 685 CG PRO A 44 -9.287 -1.126 -3.082 1.00 65.01 C ATOM 686 CD PRO A 44 -7.986 -1.807 -3.386 1.00 3.15 C ATOM 0 HA PRO A 44 -8.241 0.865 -5.136 1.00 21.22 H new ATOM 0 HB2 PRO A 44 -8.694 0.713 -2.160 1.00 23.31 H new ATOM 0 HB3 PRO A 44 -9.895 0.899 -3.422 1.00 23.31 H new ATOM 0 HG2 PRO A 44 -9.660 -1.417 -2.100 1.00 65.01 H new ATOM 0 HG3 PRO A 44 -10.051 -1.403 -3.808 1.00 65.01 H new ATOM 0 HD2 PRO A 44 -7.405 -1.989 -2.482 1.00 3.15 H new ATOM 0 HD3 PRO A 44 -8.139 -2.773 -3.867 1.00 3.15 H new ATOM 694 N VAL A 45 -6.623 2.543 -4.503 1.00 20.22 N ATOM 695 CA VAL A 45 -5.643 3.574 -4.175 1.00 15.11 C ATOM 696 C VAL A 45 -6.240 4.641 -3.266 1.00 12.43 C ATOM 697 O VAL A 45 -5.520 5.444 -2.680 1.00 11.23 O ATOM 698 CB VAL A 45 -5.081 4.257 -5.440 1.00 55.54 C ATOM 699 CG1 VAL A 45 -4.393 3.243 -6.334 1.00 22.31 C ATOM 700 CG2 VAL A 45 -6.180 4.985 -6.200 1.00 40.35 C ATOM 0 H VAL A 45 -7.097 2.682 -5.395 1.00 20.22 H new ATOM 0 HA VAL A 45 -4.831 3.067 -3.655 1.00 15.11 H new ATOM 0 HB VAL A 45 -4.343 4.995 -5.126 1.00 55.54 H new ATOM 0 HG11 VAL A 45 -4.004 3.744 -7.220 1.00 22.31 H new ATOM 0 HG12 VAL A 45 -3.571 2.777 -5.790 1.00 22.31 H new ATOM 0 HG13 VAL A 45 -5.109 2.478 -6.635 1.00 22.31 H new ATOM 0 HG21 VAL A 45 -5.758 5.458 -7.087 1.00 40.35 H new ATOM 0 HG22 VAL A 45 -6.948 4.272 -6.500 1.00 40.35 H new ATOM 0 HG23 VAL A 45 -6.622 5.747 -5.559 1.00 40.35 H new ATOM 710 N SER A 46 -7.559 4.640 -3.151 1.00 1.45 N ATOM 711 CA SER A 46 -8.253 5.630 -2.349 1.00 42.03 C ATOM 712 C SER A 46 -8.024 5.378 -0.860 1.00 21.44 C ATOM 713 O SER A 46 -8.173 4.254 -0.378 1.00 23.44 O ATOM 714 CB SER A 46 -9.742 5.612 -2.691 1.00 11.42 C ATOM 715 OG SER A 46 -10.239 4.285 -2.715 1.00 32.22 O ATOM 0 H SER A 46 -8.170 3.961 -3.605 1.00 1.45 H new ATOM 0 HA SER A 46 -7.855 6.619 -2.577 1.00 42.03 H new ATOM 0 HB2 SER A 46 -10.295 6.199 -1.957 1.00 11.42 H new ATOM 0 HB3 SER A 46 -9.902 6.082 -3.661 1.00 11.42 H new ATOM 0 HG SER A 46 -11.194 4.297 -2.934 1.00 32.22 H new ATOM 721 N GLY A 47 -7.646 6.422 -0.143 1.00 71.34 N ATOM 722 CA GLY A 47 -7.394 6.299 1.274 1.00 73.12 C ATOM 723 C GLY A 47 -6.222 7.148 1.718 1.00 33.22 C ATOM 724 O GLY A 47 -5.466 7.655 0.891 1.00 22.00 O ATOM 0 H GLY A 47 -7.508 7.359 -0.521 1.00 71.34 H new ATOM 0 HA2 GLY A 47 -8.285 6.594 1.828 1.00 73.12 H new ATOM 0 HA3 GLY A 47 -7.198 5.255 1.518 1.00 73.12 H new ATOM 728 N THR A 48 -6.074 7.306 3.023 1.00 10.11 N ATOM 729 CA THR A 48 -4.992 8.092 3.589 1.00 3.14 C ATOM 730 C THR A 48 -3.743 7.238 3.790 1.00 62.50 C ATOM 731 O THR A 48 -3.739 6.051 3.460 1.00 63.43 O ATOM 732 CB THR A 48 -5.421 8.700 4.933 1.00 22.13 C ATOM 733 OG1 THR A 48 -6.080 7.700 5.724 1.00 64.30 O ATOM 734 CG2 THR A 48 -6.346 9.888 4.720 1.00 4.20 C ATOM 0 H THR A 48 -6.698 6.895 3.717 1.00 10.11 H new ATOM 0 HA THR A 48 -4.758 8.893 2.888 1.00 3.14 H new ATOM 0 HB THR A 48 -4.532 9.051 5.456 1.00 22.13 H new ATOM 0 HG1 THR A 48 -6.352 8.088 6.582 1.00 64.30 H new ATOM 0 HG21 THR A 48 -6.636 10.301 5.686 1.00 4.20 H new ATOM 0 HG22 THR A 48 -5.829 10.652 4.139 1.00 4.20 H new ATOM 0 HG23 THR A 48 -7.237 9.564 4.182 1.00 4.20 H new ATOM 742 N LYS A 49 -2.691 7.843 4.342 1.00 24.11 N ATOM 743 CA LYS A 49 -1.429 7.146 4.589 1.00 50.20 C ATOM 744 C LYS A 49 -1.658 5.871 5.401 1.00 12.03 C ATOM 745 O LYS A 49 -1.158 4.803 5.049 1.00 34.24 O ATOM 746 CB LYS A 49 -0.460 8.074 5.331 1.00 61.42 C ATOM 747 CG LYS A 49 0.885 7.446 5.668 1.00 52.14 C ATOM 748 CD LYS A 49 1.728 7.190 4.425 1.00 43.00 C ATOM 749 CE LYS A 49 3.081 6.593 4.788 1.00 44.44 C ATOM 750 NZ LYS A 49 3.926 7.543 5.560 1.00 4.13 N ATOM 0 H LYS A 49 -2.689 8.822 4.628 1.00 24.11 H new ATOM 0 HA LYS A 49 -0.997 6.865 3.629 1.00 50.20 H new ATOM 0 HB2 LYS A 49 -0.289 8.962 4.722 1.00 61.42 H new ATOM 0 HB3 LYS A 49 -0.932 8.407 6.255 1.00 61.42 H new ATOM 0 HG2 LYS A 49 1.431 8.102 6.346 1.00 52.14 H new ATOM 0 HG3 LYS A 49 0.723 6.506 6.195 1.00 52.14 H new ATOM 0 HD2 LYS A 49 1.197 6.513 3.756 1.00 43.00 H new ATOM 0 HD3 LYS A 49 1.874 8.124 3.883 1.00 43.00 H new ATOM 0 HE2 LYS A 49 2.931 5.686 5.373 1.00 44.44 H new ATOM 0 HE3 LYS A 49 3.604 6.302 3.877 1.00 44.44 H new ATOM 0 HZ1 LYS A 49 4.834 7.676 5.071 1.00 4.13 H new ATOM 0 HZ2 LYS A 49 3.438 8.458 5.637 1.00 4.13 H new ATOM 0 HZ3 LYS A 49 4.097 7.161 6.512 1.00 4.13 H new ATOM 764 N THR A 50 -2.432 5.993 6.472 1.00 61.33 N ATOM 765 CA THR A 50 -2.741 4.860 7.333 1.00 54.52 C ATOM 766 C THR A 50 -3.476 3.767 6.553 1.00 13.43 C ATOM 767 O THR A 50 -3.144 2.583 6.658 1.00 75.10 O ATOM 768 CB THR A 50 -3.600 5.307 8.533 1.00 72.12 C ATOM 769 OG1 THR A 50 -2.972 6.419 9.194 1.00 71.31 O ATOM 770 CG2 THR A 50 -3.797 4.170 9.527 1.00 54.42 C ATOM 0 H THR A 50 -2.859 6.871 6.766 1.00 61.33 H new ATOM 0 HA THR A 50 -1.798 4.456 7.702 1.00 54.52 H new ATOM 0 HB THR A 50 -4.578 5.605 8.155 1.00 72.12 H new ATOM 0 HG1 THR A 50 -3.522 6.701 9.955 1.00 71.31 H new ATOM 0 HG21 THR A 50 -4.407 4.517 10.361 1.00 54.42 H new ATOM 0 HG22 THR A 50 -4.298 3.338 9.033 1.00 54.42 H new ATOM 0 HG23 THR A 50 -2.827 3.840 9.899 1.00 54.42 H new ATOM 778 N GLU A 51 -4.455 4.179 5.749 1.00 30.23 N ATOM 779 CA GLU A 51 -5.243 3.249 4.945 1.00 60.11 C ATOM 780 C GLU A 51 -4.353 2.464 3.991 1.00 11.22 C ATOM 781 O GLU A 51 -4.452 1.240 3.901 1.00 4.35 O ATOM 782 CB GLU A 51 -6.294 4.012 4.142 1.00 54.22 C ATOM 783 CG GLU A 51 -7.318 4.729 5.000 1.00 41.43 C ATOM 784 CD GLU A 51 -8.282 3.781 5.677 1.00 2.22 C ATOM 785 OE1 GLU A 51 -7.920 3.197 6.718 1.00 52.41 O ATOM 786 OE2 GLU A 51 -9.416 3.632 5.177 1.00 3.05 O ATOM 0 H GLU A 51 -4.722 5.157 5.638 1.00 30.23 H new ATOM 0 HA GLU A 51 -5.734 2.550 5.622 1.00 60.11 H new ATOM 0 HB2 GLU A 51 -5.793 4.741 3.505 1.00 54.22 H new ATOM 0 HB3 GLU A 51 -6.811 3.315 3.482 1.00 54.22 H new ATOM 0 HG2 GLU A 51 -6.802 5.318 5.758 1.00 41.43 H new ATOM 0 HG3 GLU A 51 -7.879 5.429 4.380 1.00 41.43 H new ATOM 793 N LEU A 52 -3.480 3.181 3.289 1.00 64.24 N ATOM 794 CA LEU A 52 -2.592 2.574 2.302 1.00 70.33 C ATOM 795 C LEU A 52 -1.721 1.504 2.947 1.00 35.25 C ATOM 796 O LEU A 52 -1.607 0.390 2.436 1.00 3.31 O ATOM 797 CB LEU A 52 -1.706 3.640 1.649 1.00 41.53 C ATOM 798 CG LEU A 52 -2.447 4.852 1.079 1.00 52.44 C ATOM 799 CD1 LEU A 52 -1.468 5.818 0.437 1.00 64.44 C ATOM 800 CD2 LEU A 52 -3.510 4.424 0.082 1.00 4.22 C ATOM 0 H LEU A 52 -3.368 4.190 3.387 1.00 64.24 H new ATOM 0 HA LEU A 52 -3.210 2.108 1.534 1.00 70.33 H new ATOM 0 HB2 LEU A 52 -0.985 3.991 2.387 1.00 41.53 H new ATOM 0 HB3 LEU A 52 -1.137 3.173 0.845 1.00 41.53 H new ATOM 0 HG LEU A 52 -2.947 5.361 1.903 1.00 52.44 H new ATOM 0 HD11 LEU A 52 -2.011 6.674 0.037 1.00 64.44 H new ATOM 0 HD12 LEU A 52 -0.751 6.160 1.184 1.00 64.44 H new ATOM 0 HD13 LEU A 52 -0.937 5.315 -0.371 1.00 64.44 H new ATOM 0 HD21 LEU A 52 -4.020 5.305 -0.307 1.00 4.22 H new ATOM 0 HD22 LEU A 52 -3.041 3.884 -0.741 1.00 4.22 H new ATOM 0 HD23 LEU A 52 -4.233 3.775 0.577 1.00 4.22 H new ATOM 812 N ILE A 53 -1.128 1.845 4.087 1.00 41.34 N ATOM 813 CA ILE A 53 -0.252 0.925 4.805 1.00 31.31 C ATOM 814 C ILE A 53 -1.001 -0.342 5.213 1.00 10.22 C ATOM 815 O ILE A 53 -0.549 -1.453 4.930 1.00 22.52 O ATOM 816 CB ILE A 53 0.356 1.584 6.067 1.00 63.44 C ATOM 817 CG1 ILE A 53 1.187 2.810 5.682 1.00 35.00 C ATOM 818 CG2 ILE A 53 1.213 0.585 6.838 1.00 40.32 C ATOM 819 CD1 ILE A 53 1.718 3.585 6.871 1.00 65.41 C ATOM 0 H ILE A 53 -1.239 2.755 4.535 1.00 41.34 H new ATOM 0 HA ILE A 53 0.556 0.663 4.122 1.00 31.31 H new ATOM 0 HB ILE A 53 -0.462 1.905 6.712 1.00 63.44 H new ATOM 0 HG12 ILE A 53 2.026 2.490 5.065 1.00 35.00 H new ATOM 0 HG13 ILE A 53 0.576 3.474 5.070 1.00 35.00 H new ATOM 0 HG21 ILE A 53 1.630 1.069 7.721 1.00 40.32 H new ATOM 0 HG22 ILE A 53 0.598 -0.261 7.145 1.00 40.32 H new ATOM 0 HG23 ILE A 53 2.024 0.232 6.200 1.00 40.32 H new ATOM 0 HD11 ILE A 53 2.297 4.439 6.519 1.00 65.41 H new ATOM 0 HD12 ILE A 53 0.884 3.937 7.478 1.00 65.41 H new ATOM 0 HD13 ILE A 53 2.356 2.937 7.472 1.00 65.41 H new ATOM 831 N GLU A 54 -2.146 -0.174 5.863 1.00 3.31 N ATOM 832 CA GLU A 54 -2.911 -1.314 6.356 1.00 11.51 C ATOM 833 C GLU A 54 -3.441 -2.176 5.214 1.00 14.15 C ATOM 834 O GLU A 54 -3.414 -3.403 5.294 1.00 45.31 O ATOM 835 CB GLU A 54 -4.067 -0.856 7.244 1.00 52.12 C ATOM 836 CG GLU A 54 -3.618 -0.273 8.573 1.00 32.14 C ATOM 837 CD GLU A 54 -4.740 -0.228 9.589 1.00 54.33 C ATOM 838 OE1 GLU A 54 -5.125 -1.304 10.094 1.00 74.34 O ATOM 839 OE2 GLU A 54 -5.242 0.876 9.890 1.00 21.20 O ATOM 0 H GLU A 54 -2.564 0.735 6.061 1.00 3.31 H new ATOM 0 HA GLU A 54 -2.229 -1.922 6.951 1.00 11.51 H new ATOM 0 HB2 GLU A 54 -4.652 -0.109 6.708 1.00 52.12 H new ATOM 0 HB3 GLU A 54 -4.727 -1.703 7.432 1.00 52.12 H new ATOM 0 HG2 GLU A 54 -2.796 -0.869 8.969 1.00 32.14 H new ATOM 0 HG3 GLU A 54 -3.234 0.735 8.414 1.00 32.14 H new ATOM 846 N ARG A 55 -3.905 -1.535 4.150 1.00 34.34 N ATOM 847 CA ARG A 55 -4.439 -2.253 2.999 1.00 24.22 C ATOM 848 C ARG A 55 -3.358 -3.112 2.356 1.00 72.24 C ATOM 849 O ARG A 55 -3.609 -4.251 1.959 1.00 44.31 O ATOM 850 CB ARG A 55 -5.021 -1.268 1.984 1.00 53.24 C ATOM 851 CG ARG A 55 -5.683 -1.934 0.788 1.00 34.00 C ATOM 852 CD ARG A 55 -6.535 -0.943 0.020 1.00 31.40 C ATOM 853 NE ARG A 55 -7.567 -0.363 0.873 1.00 12.24 N ATOM 854 CZ ARG A 55 -7.950 0.908 0.823 1.00 24.51 C ATOM 855 NH1 ARG A 55 -7.436 1.728 -0.087 1.00 63.15 N ATOM 856 NH2 ARG A 55 -8.860 1.351 1.681 1.00 25.04 N ATOM 0 H ARG A 55 -3.923 -0.519 4.059 1.00 34.34 H new ATOM 0 HA ARG A 55 -5.238 -2.911 3.340 1.00 24.22 H new ATOM 0 HB2 ARG A 55 -5.753 -0.635 2.486 1.00 53.24 H new ATOM 0 HB3 ARG A 55 -4.224 -0.615 1.629 1.00 53.24 H new ATOM 0 HG2 ARG A 55 -4.920 -2.350 0.130 1.00 34.00 H new ATOM 0 HG3 ARG A 55 -6.301 -2.766 1.126 1.00 34.00 H new ATOM 0 HD2 ARG A 55 -5.903 -0.151 -0.381 1.00 31.40 H new ATOM 0 HD3 ARG A 55 -7.000 -1.441 -0.830 1.00 31.40 H new ATOM 0 HE ARG A 55 -8.024 -0.973 1.551 1.00 12.24 H new ATOM 0 HH11 ARG A 55 -6.744 1.383 -0.752 1.00 63.15 H new ATOM 0 HH12 ARG A 55 -7.734 2.703 -0.121 1.00 63.15 H new ATOM 0 HH21 ARG A 55 -9.260 0.717 2.373 1.00 25.04 H new ATOM 0 HH22 ARG A 55 -9.159 2.326 1.649 1.00 25.04 H new ATOM 870 N LEU A 56 -2.154 -2.564 2.266 1.00 41.13 N ATOM 871 CA LEU A 56 -1.015 -3.310 1.752 1.00 2.51 C ATOM 872 C LEU A 56 -0.679 -4.482 2.670 1.00 24.34 C ATOM 873 O LEU A 56 -0.456 -5.599 2.205 1.00 53.22 O ATOM 874 CB LEU A 56 0.202 -2.393 1.594 1.00 65.11 C ATOM 875 CG LEU A 56 0.136 -1.425 0.414 1.00 54.12 C ATOM 876 CD1 LEU A 56 1.319 -0.472 0.443 1.00 61.22 C ATOM 877 CD2 LEU A 56 0.110 -2.195 -0.898 1.00 53.33 C ATOM 0 H LEU A 56 -1.941 -1.605 2.542 1.00 41.13 H new ATOM 0 HA LEU A 56 -1.282 -3.705 0.772 1.00 2.51 H new ATOM 0 HB2 LEU A 56 0.324 -1.816 2.511 1.00 65.11 H new ATOM 0 HB3 LEU A 56 1.092 -3.012 1.486 1.00 65.11 H new ATOM 0 HG LEU A 56 -0.781 -0.841 0.495 1.00 54.12 H new ATOM 0 HD11 LEU A 56 1.257 0.211 -0.404 1.00 61.22 H new ATOM 0 HD12 LEU A 56 1.303 0.099 1.371 1.00 61.22 H new ATOM 0 HD13 LEU A 56 2.246 -1.041 0.383 1.00 61.22 H new ATOM 0 HD21 LEU A 56 0.063 -1.493 -1.731 1.00 53.33 H new ATOM 0 HD22 LEU A 56 1.013 -2.799 -0.983 1.00 53.33 H new ATOM 0 HD23 LEU A 56 -0.765 -2.845 -0.921 1.00 53.33 H new ATOM 889 N ARG A 57 -0.658 -4.219 3.973 1.00 33.45 N ATOM 890 CA ARG A 57 -0.361 -5.247 4.968 1.00 25.12 C ATOM 891 C ARG A 57 -1.343 -6.412 4.871 1.00 53.14 C ATOM 892 O ARG A 57 -0.944 -7.575 4.911 1.00 5.10 O ATOM 893 CB ARG A 57 -0.395 -4.644 6.378 1.00 53.12 C ATOM 894 CG ARG A 57 0.755 -3.686 6.657 1.00 23.05 C ATOM 895 CD ARG A 57 0.503 -2.843 7.900 1.00 73.20 C ATOM 896 NE ARG A 57 0.353 -3.651 9.110 1.00 71.23 N ATOM 897 CZ ARG A 57 0.150 -3.139 10.325 1.00 22.13 C ATOM 898 NH1 ARG A 57 0.074 -1.824 10.500 1.00 23.03 N ATOM 899 NH2 ARG A 57 0.019 -3.946 11.368 1.00 61.11 N ATOM 0 H ARG A 57 -0.844 -3.297 4.367 1.00 33.45 H new ATOM 0 HA ARG A 57 0.639 -5.631 4.767 1.00 25.12 H new ATOM 0 HB2 ARG A 57 -1.339 -4.116 6.516 1.00 53.12 H new ATOM 0 HB3 ARG A 57 -0.371 -5.451 7.110 1.00 53.12 H new ATOM 0 HG2 ARG A 57 1.677 -4.253 6.784 1.00 23.05 H new ATOM 0 HG3 ARG A 57 0.899 -3.031 5.797 1.00 23.05 H new ATOM 0 HD2 ARG A 57 1.330 -2.145 8.034 1.00 73.20 H new ATOM 0 HD3 ARG A 57 -0.397 -2.246 7.753 1.00 73.20 H new ATOM 0 HE ARG A 57 0.407 -4.666 9.019 1.00 71.23 H new ATOM 0 HH11 ARG A 57 0.171 -1.197 9.702 1.00 23.03 H new ATOM 0 HH12 ARG A 57 -0.081 -1.442 11.433 1.00 23.03 H new ATOM 0 HH21 ARG A 57 0.073 -4.957 11.241 1.00 61.11 H new ATOM 0 HH22 ARG A 57 -0.136 -3.557 12.298 1.00 61.11 H new ATOM 913 N ALA A 58 -2.624 -6.093 4.733 1.00 4.22 N ATOM 914 CA ALA A 58 -3.657 -7.114 4.617 1.00 62.15 C ATOM 915 C ALA A 58 -3.528 -7.874 3.301 1.00 12.31 C ATOM 916 O ALA A 58 -3.736 -9.085 3.248 1.00 54.40 O ATOM 917 CB ALA A 58 -5.037 -6.483 4.738 1.00 51.01 C ATOM 0 H ALA A 58 -2.972 -5.135 4.699 1.00 4.22 H new ATOM 0 HA ALA A 58 -3.526 -7.827 5.431 1.00 62.15 H new ATOM 0 HB1 ALA A 58 -5.800 -7.257 4.650 1.00 51.01 H new ATOM 0 HB2 ALA A 58 -5.129 -5.992 5.707 1.00 51.01 H new ATOM 0 HB3 ALA A 58 -5.172 -5.748 3.944 1.00 51.01 H new ATOM 923 N TYR A 59 -3.170 -7.157 2.242 1.00 11.03 N ATOM 924 CA TYR A 59 -3.022 -7.757 0.920 1.00 13.11 C ATOM 925 C TYR A 59 -1.835 -8.716 0.868 1.00 42.34 C ATOM 926 O TYR A 59 -1.971 -9.856 0.419 1.00 5.24 O ATOM 927 CB TYR A 59 -2.867 -6.665 -0.145 1.00 23.23 C ATOM 928 CG TYR A 59 -2.414 -7.176 -1.494 1.00 3.03 C ATOM 929 CD1 TYR A 59 -3.258 -7.932 -2.301 1.00 45.23 C ATOM 930 CD2 TYR A 59 -1.135 -6.902 -1.958 1.00 3.40 C ATOM 931 CE1 TYR A 59 -2.835 -8.399 -3.532 1.00 62.33 C ATOM 932 CE2 TYR A 59 -0.707 -7.363 -3.182 1.00 21.11 C ATOM 933 CZ TYR A 59 -1.558 -8.110 -3.966 1.00 11.25 C ATOM 934 OH TYR A 59 -1.122 -8.576 -5.185 1.00 32.54 O ATOM 0 H TYR A 59 -2.976 -6.156 2.273 1.00 11.03 H new ATOM 0 HA TYR A 59 -3.925 -8.332 0.714 1.00 13.11 H new ATOM 0 HB2 TYR A 59 -3.821 -6.152 -0.265 1.00 23.23 H new ATOM 0 HB3 TYR A 59 -2.150 -5.925 0.211 1.00 23.23 H new ATOM 0 HD1 TYR A 59 -4.258 -8.157 -1.961 1.00 45.23 H new ATOM 0 HD2 TYR A 59 -0.464 -6.316 -1.348 1.00 3.40 H new ATOM 0 HE1 TYR A 59 -3.500 -8.986 -4.149 1.00 62.33 H new ATOM 0 HE2 TYR A 59 0.292 -7.140 -3.526 1.00 21.11 H new ATOM 0 HH TYR A 59 -1.884 -8.654 -5.797 1.00 32.54 H new ATOM 944 N GLN A 60 -0.671 -8.259 1.322 1.00 14.53 N ATOM 945 CA GLN A 60 0.540 -9.072 1.243 1.00 14.31 C ATOM 946 C GLN A 60 0.444 -10.281 2.162 1.00 4.40 C ATOM 947 O GLN A 60 1.040 -11.320 1.886 1.00 63.32 O ATOM 948 CB GLN A 60 1.789 -8.264 1.594 1.00 1.22 C ATOM 949 CG GLN A 60 3.079 -9.004 1.277 1.00 70.35 C ATOM 950 CD GLN A 60 4.072 -8.983 2.419 1.00 71.51 C ATOM 951 OE1 GLN A 60 4.905 -8.085 2.520 1.00 42.32 O ATOM 952 NE2 GLN A 60 3.992 -9.975 3.288 1.00 22.10 N ATOM 0 H GLN A 60 -0.540 -7.340 1.744 1.00 14.53 H new ATOM 0 HA GLN A 60 0.627 -9.410 0.210 1.00 14.31 H new ATOM 0 HB2 GLN A 60 1.772 -7.322 1.046 1.00 1.22 H new ATOM 0 HB3 GLN A 60 1.769 -8.016 2.655 1.00 1.22 H new ATOM 0 HG2 GLN A 60 2.845 -10.039 1.026 1.00 70.35 H new ATOM 0 HG3 GLN A 60 3.539 -8.558 0.395 1.00 70.35 H new ATOM 0 HE21 GLN A 60 3.286 -10.702 3.169 1.00 22.10 H new ATOM 0 HE22 GLN A 60 4.636 -10.014 4.078 1.00 22.10 H new ATOM 961 N ASP A 61 -0.308 -10.136 3.250 1.00 13.33 N ATOM 962 CA ASP A 61 -0.518 -11.224 4.205 1.00 23.03 C ATOM 963 C ASP A 61 -1.064 -12.462 3.506 1.00 22.43 C ATOM 964 O ASP A 61 -0.643 -13.584 3.784 1.00 35.14 O ATOM 965 CB ASP A 61 -1.492 -10.782 5.304 1.00 10.35 C ATOM 966 CG ASP A 61 -1.888 -11.917 6.233 1.00 21.31 C ATOM 967 OD1 ASP A 61 -1.163 -12.169 7.216 1.00 61.12 O ATOM 968 OD2 ASP A 61 -2.942 -12.546 5.995 1.00 62.44 O ATOM 0 H ASP A 61 -0.786 -9.269 3.495 1.00 13.33 H new ATOM 0 HA ASP A 61 0.444 -11.472 4.652 1.00 23.03 H new ATOM 0 HB2 ASP A 61 -1.035 -9.983 5.888 1.00 10.35 H new ATOM 0 HB3 ASP A 61 -2.388 -10.367 4.843 1.00 10.35 H new ATOM 973 N GLN A 62 -1.990 -12.239 2.581 1.00 11.42 N ATOM 974 CA GLN A 62 -2.622 -13.324 1.838 1.00 64.31 C ATOM 975 C GLN A 62 -1.610 -14.013 0.925 1.00 13.15 C ATOM 976 O GLN A 62 -1.727 -15.201 0.626 1.00 60.23 O ATOM 977 CB GLN A 62 -3.788 -12.777 1.012 1.00 45.43 C ATOM 978 CG GLN A 62 -4.696 -11.856 1.809 1.00 50.33 C ATOM 979 CD GLN A 62 -5.857 -11.312 1.000 1.00 52.15 C ATOM 980 OE1 GLN A 62 -5.774 -11.157 -0.221 1.00 32.25 O ATOM 981 NE2 GLN A 62 -6.949 -11.005 1.683 1.00 25.01 N ATOM 0 H GLN A 62 -2.322 -11.309 2.326 1.00 11.42 H new ATOM 0 HA GLN A 62 -2.999 -14.059 2.549 1.00 64.31 H new ATOM 0 HB2 GLN A 62 -3.395 -12.236 0.152 1.00 45.43 H new ATOM 0 HB3 GLN A 62 -4.374 -13.610 0.624 1.00 45.43 H new ATOM 0 HG2 GLN A 62 -5.085 -12.398 2.671 1.00 50.33 H new ATOM 0 HG3 GLN A 62 -4.109 -11.023 2.195 1.00 50.33 H new ATOM 0 HE21 GLN A 62 -6.976 -11.149 2.692 1.00 25.01 H new ATOM 0 HE22 GLN A 62 -7.763 -10.625 1.200 1.00 25.01 H new ATOM 990 N ILE A 63 -0.610 -13.259 0.499 1.00 72.20 N ATOM 991 CA ILE A 63 0.437 -13.787 -0.356 1.00 20.21 C ATOM 992 C ILE A 63 1.480 -14.517 0.483 1.00 21.34 C ATOM 993 O ILE A 63 1.694 -15.720 0.328 1.00 64.05 O ATOM 994 CB ILE A 63 1.122 -12.657 -1.152 1.00 73.33 C ATOM 995 CG1 ILE A 63 0.081 -11.836 -1.919 1.00 24.31 C ATOM 996 CG2 ILE A 63 2.152 -13.238 -2.109 1.00 42.44 C ATOM 997 CD1 ILE A 63 0.666 -10.646 -2.648 1.00 72.41 C ATOM 0 H ILE A 63 -0.502 -12.272 0.734 1.00 72.20 H new ATOM 0 HA ILE A 63 -0.021 -14.483 -1.059 1.00 20.21 H new ATOM 0 HB ILE A 63 1.632 -11.996 -0.451 1.00 73.33 H new ATOM 0 HG12 ILE A 63 -0.420 -12.482 -2.639 1.00 24.31 H new ATOM 0 HG13 ILE A 63 -0.680 -11.486 -1.221 1.00 24.31 H new ATOM 0 HG21 ILE A 63 2.628 -12.430 -2.665 1.00 42.44 H new ATOM 0 HG22 ILE A 63 2.907 -13.784 -1.543 1.00 42.44 H new ATOM 0 HG23 ILE A 63 1.660 -13.917 -2.805 1.00 42.44 H new ATOM 0 HD11 ILE A 63 -0.129 -10.112 -3.169 1.00 72.41 H new ATOM 0 HD12 ILE A 63 1.143 -9.978 -1.930 1.00 72.41 H new ATOM 0 HD13 ILE A 63 1.406 -10.990 -3.371 1.00 72.41 H new ATOM 1009 N SER A 64 2.110 -13.783 1.387 1.00 13.43 N ATOM 1010 CA SER A 64 3.129 -14.336 2.262 1.00 72.41 C ATOM 1011 C SER A 64 3.019 -13.726 3.657 1.00 20.42 C ATOM 1012 O SER A 64 2.768 -12.529 3.800 1.00 0.33 O ATOM 1013 CB SER A 64 4.524 -14.076 1.684 1.00 64.31 C ATOM 1014 OG SER A 64 4.708 -14.756 0.449 1.00 74.40 O ATOM 0 H SER A 64 1.929 -12.790 1.534 1.00 13.43 H new ATOM 0 HA SER A 64 2.974 -15.412 2.337 1.00 72.41 H new ATOM 0 HB2 SER A 64 4.665 -13.005 1.536 1.00 64.31 H new ATOM 0 HB3 SER A 64 5.282 -14.402 2.397 1.00 64.31 H new ATOM 0 HG SER A 64 5.606 -14.570 0.104 1.00 74.40 H new ATOM 1020 N PRO A 65 3.198 -14.542 4.706 1.00 24.24 N ATOM 1021 CA PRO A 65 3.131 -14.068 6.088 1.00 44.33 C ATOM 1022 C PRO A 65 4.298 -13.146 6.442 1.00 11.32 C ATOM 1023 O PRO A 65 5.253 -13.006 5.669 1.00 73.13 O ATOM 1024 CB PRO A 65 3.194 -15.356 6.913 1.00 11.01 C ATOM 1025 CG PRO A 65 3.876 -16.344 6.030 1.00 25.04 C ATOM 1026 CD PRO A 65 3.475 -15.987 4.627 1.00 64.40 C ATOM 0 HA PRO A 65 2.235 -13.475 6.272 1.00 44.33 H new ATOM 0 HB2 PRO A 65 3.748 -15.205 7.839 1.00 11.01 H new ATOM 0 HB3 PRO A 65 2.196 -15.697 7.190 1.00 11.01 H new ATOM 0 HG2 PRO A 65 4.958 -16.295 6.152 1.00 25.04 H new ATOM 0 HG3 PRO A 65 3.573 -17.362 6.276 1.00 25.04 H new ATOM 0 HD2 PRO A 65 4.270 -16.205 3.914 1.00 64.40 H new ATOM 0 HD3 PRO A 65 2.597 -16.547 4.306 1.00 64.40 H new ATOM 1034 N VAL A 66 4.211 -12.519 7.607 1.00 44.24 N ATOM 1035 CA VAL A 66 5.253 -11.612 8.076 1.00 54.03 C ATOM 1036 C VAL A 66 6.586 -12.342 8.244 1.00 24.24 C ATOM 1037 O VAL A 66 6.613 -13.539 8.538 1.00 54.32 O ATOM 1038 CB VAL A 66 4.860 -10.943 9.413 1.00 52.04 C ATOM 1039 CG1 VAL A 66 3.652 -10.038 9.222 1.00 32.33 C ATOM 1040 CG2 VAL A 66 4.579 -11.993 10.475 1.00 3.03 C ATOM 0 H VAL A 66 3.425 -12.622 8.249 1.00 44.24 H new ATOM 0 HA VAL A 66 5.365 -10.838 7.317 1.00 54.03 H new ATOM 0 HB VAL A 66 5.697 -10.332 9.750 1.00 52.04 H new ATOM 0 HG11 VAL A 66 3.390 -9.576 10.174 1.00 32.33 H new ATOM 0 HG12 VAL A 66 3.890 -9.262 8.495 1.00 32.33 H new ATOM 0 HG13 VAL A 66 2.809 -10.627 8.861 1.00 32.33 H new ATOM 0 HG21 VAL A 66 4.304 -11.502 11.408 1.00 3.03 H new ATOM 0 HG22 VAL A 66 3.760 -12.633 10.147 1.00 3.03 H new ATOM 0 HG23 VAL A 66 5.471 -12.599 10.633 1.00 3.03 H new ATOM 1050 N PRO A 67 7.706 -11.633 8.026 1.00 54.44 N ATOM 1051 CA PRO A 67 9.052 -12.210 8.147 1.00 32.32 C ATOM 1052 C PRO A 67 9.371 -12.663 9.571 1.00 1.35 C ATOM 1053 O PRO A 67 9.640 -13.840 9.812 1.00 62.33 O ATOM 1054 CB PRO A 67 9.978 -11.064 7.719 1.00 53.03 C ATOM 1055 CG PRO A 67 9.172 -9.823 7.896 1.00 30.42 C ATOM 1056 CD PRO A 67 7.749 -10.215 7.627 1.00 64.12 C ATOM 0 HA PRO A 67 9.162 -13.108 7.539 1.00 32.32 H new ATOM 0 HB2 PRO A 67 10.880 -11.038 8.330 1.00 53.03 H new ATOM 0 HB3 PRO A 67 10.297 -11.182 6.684 1.00 53.03 H new ATOM 0 HG2 PRO A 67 9.284 -9.425 8.905 1.00 30.42 H new ATOM 0 HG3 PRO A 67 9.499 -9.043 7.208 1.00 30.42 H new ATOM 0 HD2 PRO A 67 7.050 -9.613 8.207 1.00 64.12 H new ATOM 0 HD3 PRO A 67 7.488 -10.085 6.577 1.00 64.12 H new ATOM 1064 N GLY A 68 9.323 -11.727 10.508 1.00 75.42 N ATOM 1065 CA GLY A 68 9.603 -12.040 11.892 1.00 30.53 C ATOM 1066 C GLY A 68 8.715 -11.253 12.825 1.00 34.52 C ATOM 1067 O GLY A 68 9.093 -10.168 13.273 1.00 41.22 O ATOM 0 H GLY A 68 9.093 -10.749 10.331 1.00 75.42 H new ATOM 0 HA2 GLY A 68 9.457 -13.107 12.062 1.00 30.53 H new ATOM 0 HA3 GLY A 68 10.648 -11.822 12.112 1.00 30.53 H new ATOM 1071 N ALA A 69 7.532 -11.806 13.102 1.00 50.50 N ATOM 1072 CA ALA A 69 6.515 -11.159 13.932 1.00 50.22 C ATOM 1073 C ALA A 69 5.876 -9.980 13.199 1.00 2.42 C ATOM 1074 O ALA A 69 6.539 -9.259 12.452 1.00 44.54 O ATOM 1075 CB ALA A 69 7.089 -10.717 15.276 1.00 45.22 C ATOM 0 H ALA A 69 7.251 -12.723 12.754 1.00 50.50 H new ATOM 0 HA ALA A 69 5.737 -11.896 14.130 1.00 50.22 H new ATOM 0 HB1 ALA A 69 6.307 -10.241 15.867 1.00 45.22 H new ATOM 0 HB2 ALA A 69 7.470 -11.586 15.812 1.00 45.22 H new ATOM 0 HB3 ALA A 69 7.900 -10.008 15.110 1.00 45.22 H new ATOM 1081 N PRO A 70 4.562 -9.796 13.366 1.00 43.33 N ATOM 1082 CA PRO A 70 3.846 -8.666 12.784 1.00 61.32 C ATOM 1083 C PRO A 70 4.249 -7.354 13.446 1.00 52.42 C ATOM 1084 O PRO A 70 3.934 -7.117 14.615 1.00 55.41 O ATOM 1085 CB PRO A 70 2.366 -8.976 13.057 1.00 70.43 C ATOM 1086 CG PRO A 70 2.330 -10.403 13.496 1.00 34.44 C ATOM 1087 CD PRO A 70 3.663 -10.674 14.128 1.00 75.31 C ATOM 0 HA PRO A 70 4.064 -8.545 11.723 1.00 61.32 H new ATOM 0 HB2 PRO A 70 1.963 -8.318 13.827 1.00 70.43 H new ATOM 0 HB3 PRO A 70 1.762 -8.826 12.162 1.00 70.43 H new ATOM 0 HG2 PRO A 70 1.520 -10.573 14.205 1.00 34.44 H new ATOM 0 HG3 PRO A 70 2.157 -11.068 12.650 1.00 34.44 H new ATOM 0 HD2 PRO A 70 3.665 -10.432 15.191 1.00 75.31 H new ATOM 0 HD3 PRO A 70 3.948 -11.722 14.039 1.00 75.31 H new ATOM 1095 N LYS A 71 4.967 -6.518 12.709 1.00 61.43 N ATOM 1096 CA LYS A 71 5.416 -5.234 13.231 1.00 3.40 C ATOM 1097 C LYS A 71 4.240 -4.285 13.419 1.00 13.41 C ATOM 1098 O LYS A 71 3.817 -3.608 12.483 1.00 33.33 O ATOM 1099 CB LYS A 71 6.457 -4.589 12.306 1.00 2.11 C ATOM 1100 CG LYS A 71 7.883 -5.091 12.502 1.00 23.33 C ATOM 1101 CD LYS A 71 8.025 -6.568 12.183 1.00 53.14 C ATOM 1102 CE LYS A 71 9.463 -7.040 12.330 1.00 51.31 C ATOM 1103 NZ LYS A 71 9.992 -6.820 13.704 1.00 42.52 N ATOM 0 H LYS A 71 5.251 -6.706 11.748 1.00 61.43 H new ATOM 0 HA LYS A 71 5.881 -5.421 14.199 1.00 3.40 H new ATOM 0 HB2 LYS A 71 6.163 -4.766 11.271 1.00 2.11 H new ATOM 0 HB3 LYS A 71 6.442 -3.510 12.461 1.00 2.11 H new ATOM 0 HG2 LYS A 71 8.558 -4.518 11.866 1.00 23.33 H new ATOM 0 HG3 LYS A 71 8.189 -4.914 13.533 1.00 23.33 H new ATOM 0 HD2 LYS A 71 7.382 -7.147 12.846 1.00 53.14 H new ATOM 0 HD3 LYS A 71 7.683 -6.755 11.165 1.00 53.14 H new ATOM 0 HE2 LYS A 71 9.522 -8.101 12.086 1.00 51.31 H new ATOM 0 HE3 LYS A 71 10.091 -6.513 11.612 1.00 51.31 H new ATOM 0 HZ1 LYS A 71 10.898 -7.319 13.811 1.00 42.52 H new ATOM 0 HZ2 LYS A 71 10.137 -5.802 13.861 1.00 42.52 H new ATOM 0 HZ3 LYS A 71 9.311 -7.184 14.401 1.00 42.52 H new ATOM 1117 N ALA A 72 3.701 -4.268 14.630 1.00 33.14 N ATOM 1118 CA ALA A 72 2.628 -3.353 14.978 1.00 25.33 C ATOM 1119 C ALA A 72 2.603 -3.079 16.480 1.00 40.13 C ATOM 1120 O ALA A 72 1.615 -3.377 17.156 1.00 52.42 O ATOM 1121 CB ALA A 72 1.287 -3.909 14.522 1.00 51.33 C ATOM 0 H ALA A 72 3.993 -4.882 15.390 1.00 33.14 H new ATOM 0 HA ALA A 72 2.812 -2.409 14.464 1.00 25.33 H new ATOM 0 HB1 ALA A 72 0.494 -3.211 14.790 1.00 51.33 H new ATOM 0 HB2 ALA A 72 1.299 -4.047 13.441 1.00 51.33 H new ATOM 0 HB3 ALA A 72 1.107 -4.868 15.008 1.00 51.33 H new ATOM 1127 N PRO A 73 3.697 -2.534 17.039 1.00 60.41 N ATOM 1128 CA PRO A 73 3.771 -2.168 18.436 1.00 53.42 C ATOM 1129 C PRO A 73 3.468 -0.687 18.631 1.00 12.32 C ATOM 1130 O PRO A 73 4.384 0.138 18.691 1.00 50.21 O ATOM 1131 CB PRO A 73 5.230 -2.480 18.786 1.00 61.41 C ATOM 1132 CG PRO A 73 5.982 -2.445 17.482 1.00 13.33 C ATOM 1133 CD PRO A 73 4.970 -2.231 16.377 1.00 73.42 C ATOM 0 HA PRO A 73 3.051 -2.696 19.061 1.00 53.42 H new ATOM 0 HB2 PRO A 73 5.629 -1.747 19.487 1.00 61.41 H new ATOM 0 HB3 PRO A 73 5.318 -3.457 19.262 1.00 61.41 H new ATOM 0 HG2 PRO A 73 6.720 -1.643 17.487 1.00 13.33 H new ATOM 0 HG3 PRO A 73 6.526 -3.377 17.328 1.00 13.33 H new ATOM 0 HD2 PRO A 73 4.995 -1.210 15.998 1.00 73.42 H new ATOM 0 HD3 PRO A 73 5.152 -2.891 15.529 1.00 73.42 H new ATOM 1141 N ALA A 74 2.180 -0.361 18.698 1.00 45.22 N ATOM 1142 CA ALA A 74 1.727 1.026 18.742 1.00 55.10 C ATOM 1143 C ALA A 74 2.272 1.801 17.544 1.00 73.53 C ATOM 1144 O ALA A 74 3.114 2.691 17.685 1.00 22.22 O ATOM 1145 CB ALA A 74 2.126 1.693 20.053 1.00 11.41 C ATOM 0 H ALA A 74 1.425 -1.046 18.723 1.00 45.22 H new ATOM 0 HA ALA A 74 0.638 1.032 18.688 1.00 55.10 H new ATOM 0 HB1 ALA A 74 1.775 2.725 20.058 1.00 11.41 H new ATOM 0 HB2 ALA A 74 1.677 1.154 20.887 1.00 11.41 H new ATOM 0 HB3 ALA A 74 3.211 1.678 20.153 1.00 11.41 H new ATOM 1151 N ALA A 75 1.805 1.432 16.360 1.00 2.34 N ATOM 1152 CA ALA A 75 2.274 2.033 15.125 1.00 14.14 C ATOM 1153 C ALA A 75 1.100 2.318 14.204 1.00 11.03 C ATOM 1154 O ALA A 75 0.806 3.507 13.957 1.00 38.29 O ATOM 1155 CB ALA A 75 3.281 1.119 14.443 1.00 21.51 C ATOM 1156 OXT ALA A 75 0.446 1.349 13.769 1.00 38.29 O ATOM 0 H ALA A 75 1.094 0.712 16.231 1.00 2.34 H new ATOM 0 HA ALA A 75 2.769 2.976 15.357 1.00 14.14 H new ATOM 0 HB1 ALA A 75 3.625 1.582 13.518 1.00 21.51 H new ATOM 0 HB2 ALA A 75 4.132 0.956 15.105 1.00 21.51 H new ATOM 0 HB3 ALA A 75 2.809 0.163 14.217 1.00 21.51 H new TER 1162 ALA A 75