USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 743 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 172:sc= 0 (180deg=-0.0298) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.078 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0.18) USER MOD Single : A 4 ASN :FLIP amide:sc= -0.013 F(o=-0.82,f=-0.013) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc=-0.00777 X(o=-0.0078,f=-0.18) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0.24) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0702 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -1.67 K(o=-1.7,f=-2.3!) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -130:sc= 0.723 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 71:sc= 1.33 USER MOD Single : A 56 TYR OH : rot 174:sc= -0.439 USER MOD Single : A 57 CYS SG : rot 89:sc= -1.82 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.377 X(o=-0.38,f=-0.38) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.109 K(o=-0.11,f=-4.4!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -72:sc= 0.173 USER MOD Single : A 79 THR OG1 : rot -68:sc= 1.07 USER MOD Single : A 80 LYS NZ :NH3+ -158:sc= -0.0218 (180deg=-0.275) USER MOD Single : A 81 THR OG1 : rot -143:sc= -0.464 USER MOD Single : A 87 MET CE :methyl 146:sc= -1.47 (180deg=-3.97!) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.156 11.762 -3.478 1.00 11.13 N ATOM 2 CA MET A 1 4.049 12.259 -4.518 1.00 52.20 C ATOM 3 C MET A 1 5.248 12.978 -3.908 1.00 31.24 C ATOM 4 O MET A 1 5.160 14.149 -3.538 1.00 74.33 O ATOM 5 CB MET A 1 3.297 13.204 -5.457 1.00 14.43 C ATOM 6 CG MET A 1 2.260 12.505 -6.321 1.00 30.11 C ATOM 7 SD MET A 1 0.580 12.721 -5.702 1.00 62.41 S ATOM 8 CE MET A 1 0.260 14.418 -6.177 1.00 73.41 C ATOM 0 H1 MET A 1 2.169 11.937 -3.755 1.00 11.13 H new ATOM 0 H2 MET A 1 3.305 10.740 -3.352 1.00 11.13 H new ATOM 0 H3 MET A 1 3.357 12.254 -2.584 1.00 11.13 H new ATOM 0 HA MET A 1 4.412 11.404 -5.088 1.00 52.20 H new ATOM 0 HB2 MET A 1 2.804 13.975 -4.865 1.00 14.43 H new ATOM 0 HB3 MET A 1 4.015 13.709 -6.103 1.00 14.43 H new ATOM 0 HG2 MET A 1 2.321 12.891 -7.338 1.00 30.11 H new ATOM 0 HG3 MET A 1 2.491 11.441 -6.370 1.00 30.11 H new ATOM 0 HE1 MET A 1 -0.787 14.656 -5.991 1.00 73.41 H new ATOM 0 HE2 MET A 1 0.893 15.085 -5.592 1.00 73.41 H new ATOM 0 HE3 MET A 1 0.479 14.547 -7.237 1.00 73.41 H new ATOM 18 N SER A 2 6.367 12.269 -3.804 1.00 65.24 N ATOM 19 CA SER A 2 7.583 12.838 -3.235 1.00 1.32 C ATOM 20 C SER A 2 8.761 11.883 -3.402 1.00 33.20 C ATOM 21 O SER A 2 8.577 10.677 -3.566 1.00 45.40 O ATOM 22 CB SER A 2 7.376 13.157 -1.753 1.00 25.33 C ATOM 23 OG SER A 2 7.677 14.514 -1.476 1.00 24.51 O ATOM 0 H SER A 2 6.457 11.299 -4.106 1.00 65.24 H new ATOM 0 HA SER A 2 7.808 13.760 -3.770 1.00 1.32 H new ATOM 0 HB2 SER A 2 6.344 12.946 -1.473 1.00 25.33 H new ATOM 0 HB3 SER A 2 8.010 12.510 -1.147 1.00 25.33 H new ATOM 0 HG SER A 2 7.535 14.693 -0.523 1.00 24.51 H new ATOM 29 N ASN A 3 9.970 12.431 -3.359 1.00 45.50 N ATOM 30 CA ASN A 3 11.179 11.629 -3.506 1.00 43.02 C ATOM 31 C ASN A 3 12.427 12.497 -3.376 1.00 25.31 C ATOM 32 O ASN A 3 12.532 13.549 -4.004 1.00 44.14 O ATOM 33 CB ASN A 3 11.180 10.914 -4.859 1.00 44.31 C ATOM 34 CG ASN A 3 11.522 9.442 -4.735 1.00 4.11 C ATOM 35 OD1 ASN A 3 10.675 8.625 -4.376 1.00 32.31 O ATOM 36 ND2 ASN A 3 12.770 9.098 -5.032 1.00 21.41 N ATOM 0 H ASN A 3 10.139 13.428 -3.223 1.00 45.50 H new ATOM 0 HA ASN A 3 11.191 10.885 -2.709 1.00 43.02 H new ATOM 0 HB2 ASN A 3 10.199 11.018 -5.323 1.00 44.31 H new ATOM 0 HB3 ASN A 3 11.899 11.397 -5.521 1.00 44.31 H new ATOM 0 HD21 ASN A 3 13.059 8.122 -4.967 1.00 21.41 H new ATOM 0 HD22 ASN A 3 13.439 9.810 -5.326 1.00 21.41 H new ATOM 43 N ASN A 4 13.371 12.047 -2.556 1.00 25.43 N ATOM 44 CA ASN A 4 14.613 12.782 -2.343 1.00 30.43 C ATOM 45 C ASN A 4 15.563 11.996 -1.444 1.00 62.54 C ATOM 46 O ASN A 4 15.170 11.014 -0.815 1.00 42.04 O ATOM 47 CB ASN A 4 14.320 14.149 -1.722 1.00 23.13 C ATOM 48 CG ASN A 4 13.392 14.054 -0.526 1.00 51.34 C ATOM 49 OD1 ASN A 4 12.090 14.100 -0.784 1.00 64.54 O flip ATOM 50 ND2 ASN A 4 13.840 13.942 0.615 1.00 31.34 N flip ATOM 0 H ASN A 4 13.300 11.177 -2.028 1.00 25.43 H new ATOM 0 HA ASN A 4 15.092 12.925 -3.311 1.00 30.43 H new ATOM 0 HB2 ASN A 4 15.257 14.614 -1.415 1.00 23.13 H new ATOM 0 HB3 ASN A 4 13.873 14.799 -2.475 1.00 23.13 H new ATOM 0 HD21 ASN A 4 14.848 13.911 0.766 1.00 31.34 H new ATOM 0 HD22 ASN A 4 13.203 13.880 1.409 1.00 31.34 H new ATOM 57 N GLY A 5 16.817 12.435 -1.389 1.00 52.45 N ATOM 58 CA GLY A 5 17.804 11.762 -0.566 1.00 13.25 C ATOM 59 C GLY A 5 19.225 12.075 -0.991 1.00 13.25 C ATOM 60 O GLY A 5 19.446 12.725 -2.011 1.00 72.05 O ATOM 0 H GLY A 5 17.167 13.245 -1.900 1.00 52.45 H new ATOM 0 HA2 GLY A 5 17.666 12.056 0.474 1.00 13.25 H new ATOM 0 HA3 GLY A 5 17.642 10.685 -0.617 1.00 13.25 H new ATOM 64 N GLY A 6 20.192 11.613 -0.204 1.00 33.32 N ATOM 65 CA GLY A 6 21.587 11.859 -0.520 1.00 34.21 C ATOM 66 C GLY A 6 22.406 12.210 0.706 1.00 32.42 C ATOM 67 O GLY A 6 22.153 13.221 1.360 1.00 44.01 O ATOM 0 H GLY A 6 20.034 11.073 0.647 1.00 33.32 H new ATOM 0 HA2 GLY A 6 22.010 10.974 -0.995 1.00 34.21 H new ATOM 0 HA3 GLY A 6 21.655 12.672 -1.243 1.00 34.21 H new ATOM 71 N GLU A 7 23.389 11.371 1.019 1.00 35.14 N ATOM 72 CA GLU A 7 24.245 11.597 2.177 1.00 4.53 C ATOM 73 C GLU A 7 25.713 11.664 1.764 1.00 53.34 C ATOM 74 O GLU A 7 26.104 11.200 0.692 1.00 14.14 O ATOM 75 CB GLU A 7 24.046 10.488 3.212 1.00 11.11 C ATOM 76 CG GLU A 7 22.924 10.769 4.197 1.00 13.32 C ATOM 77 CD GLU A 7 23.102 10.033 5.511 1.00 45.22 C ATOM 78 OE1 GLU A 7 22.782 8.827 5.563 1.00 51.23 O ATOM 79 OE2 GLU A 7 23.562 10.662 6.486 1.00 3.44 O ATOM 0 H GLU A 7 23.612 10.530 0.487 1.00 35.14 H new ATOM 0 HA GLU A 7 23.966 12.552 2.621 1.00 4.53 H new ATOM 0 HB2 GLU A 7 23.837 9.552 2.694 1.00 11.11 H new ATOM 0 HB3 GLU A 7 24.975 10.346 3.764 1.00 11.11 H new ATOM 0 HG2 GLU A 7 22.875 11.841 4.389 1.00 13.32 H new ATOM 0 HG3 GLU A 7 21.973 10.481 3.750 1.00 13.32 H new ATOM 86 N PRO A 8 26.546 12.256 2.632 1.00 15.45 N ATOM 87 CA PRO A 8 27.983 12.399 2.380 1.00 35.31 C ATOM 88 C PRO A 8 28.716 11.063 2.437 1.00 40.04 C ATOM 89 O PRO A 8 28.101 10.014 2.630 1.00 4.23 O ATOM 90 CB PRO A 8 28.453 13.315 3.512 1.00 15.25 C ATOM 91 CG PRO A 8 27.463 13.104 4.606 1.00 1.10 C ATOM 92 CD PRO A 8 26.149 12.832 3.928 1.00 14.23 C ATOM 0 HA PRO A 8 28.185 12.793 1.384 1.00 35.31 H new ATOM 0 HB2 PRO A 8 29.462 13.058 3.836 1.00 15.25 H new ATOM 0 HB3 PRO A 8 28.476 14.357 3.194 1.00 15.25 H new ATOM 0 HG2 PRO A 8 27.755 12.267 5.241 1.00 1.10 H new ATOM 0 HG3 PRO A 8 27.397 13.983 5.247 1.00 1.10 H new ATOM 0 HD2 PRO A 8 25.535 12.140 4.504 1.00 14.23 H new ATOM 0 HD3 PRO A 8 25.566 13.744 3.801 1.00 14.23 H new ATOM 100 N SER A 9 30.034 11.109 2.267 1.00 75.12 N ATOM 101 CA SER A 9 30.850 9.901 2.295 1.00 5.42 C ATOM 102 C SER A 9 32.238 10.197 2.857 1.00 51.34 C ATOM 103 O SER A 9 33.087 10.767 2.173 1.00 65.51 O ATOM 104 CB SER A 9 30.972 9.309 0.890 1.00 41.32 C ATOM 105 OG SER A 9 30.463 10.202 -0.086 1.00 1.34 O ATOM 0 H SER A 9 30.559 11.969 2.109 1.00 75.12 H new ATOM 0 HA SER A 9 30.360 9.176 2.945 1.00 5.42 H new ATOM 0 HB2 SER A 9 32.017 9.088 0.675 1.00 41.32 H new ATOM 0 HB3 SER A 9 30.430 8.365 0.842 1.00 41.32 H new ATOM 0 HG SER A 9 30.554 9.801 -0.976 1.00 1.34 H new ATOM 111 N ASN A 10 32.459 9.806 4.107 1.00 20.14 N ATOM 112 CA ASN A 10 33.743 10.029 4.762 1.00 12.25 C ATOM 113 C ASN A 10 34.844 9.210 4.095 1.00 14.14 C ATOM 114 O ASN A 10 34.584 8.152 3.524 1.00 41.35 O ATOM 115 CB ASN A 10 33.651 9.668 6.246 1.00 3.25 C ATOM 116 CG ASN A 10 34.668 10.416 7.087 1.00 12.42 C ATOM 117 OD1 ASN A 10 34.769 11.641 7.015 1.00 15.21 O ATOM 118 ND2 ASN A 10 35.428 9.681 7.890 1.00 34.42 N ATOM 0 H ASN A 10 31.766 9.333 4.687 1.00 20.14 H new ATOM 0 HA ASN A 10 33.993 11.086 4.666 1.00 12.25 H new ATOM 0 HB2 ASN A 10 32.648 9.891 6.610 1.00 3.25 H new ATOM 0 HB3 ASN A 10 33.803 8.595 6.366 1.00 3.25 H new ATOM 0 HD21 ASN A 10 36.130 10.129 8.479 1.00 34.42 H new ATOM 0 HD22 ASN A 10 35.310 8.668 7.918 1.00 34.42 H new ATOM 125 N ASN A 11 36.074 9.707 4.174 1.00 53.31 N ATOM 126 CA ASN A 11 37.215 9.022 3.578 1.00 73.21 C ATOM 127 C ASN A 11 38.518 9.459 4.240 1.00 61.43 C ATOM 128 O ASN A 11 39.530 9.661 3.569 1.00 15.12 O ATOM 129 CB ASN A 11 37.275 9.300 2.075 1.00 72.24 C ATOM 130 CG ASN A 11 37.063 10.766 1.749 1.00 70.43 C ATOM 131 OD1 ASN A 11 35.929 11.240 1.679 1.00 61.12 O ATOM 132 ND2 ASN A 11 38.157 11.491 1.547 1.00 21.23 N ATOM 0 H ASN A 11 36.306 10.582 4.645 1.00 53.31 H new ATOM 0 HA ASN A 11 37.088 7.951 3.738 1.00 73.21 H new ATOM 0 HB2 ASN A 11 38.243 8.981 1.688 1.00 72.24 H new ATOM 0 HB3 ASN A 11 36.516 8.704 1.568 1.00 72.24 H new ATOM 0 HD21 ASN A 11 38.077 12.483 1.324 1.00 21.23 H new ATOM 0 HD22 ASN A 11 39.077 11.056 1.615 1.00 21.23 H new ATOM 139 N GLY A 12 38.486 9.601 5.561 1.00 12.43 N ATOM 140 CA GLY A 12 39.670 10.013 6.292 1.00 22.31 C ATOM 141 C GLY A 12 40.338 8.858 7.012 1.00 72.54 C ATOM 142 O GLY A 12 40.878 9.026 8.104 1.00 44.43 O ATOM 0 H GLY A 12 37.661 9.438 6.138 1.00 12.43 H new ATOM 0 HA2 GLY A 12 40.381 10.466 5.601 1.00 22.31 H new ATOM 0 HA3 GLY A 12 39.397 10.780 7.017 1.00 22.31 H new ATOM 146 N GLY A 13 40.299 7.678 6.398 1.00 11.34 N ATOM 147 CA GLY A 13 40.907 6.507 7.003 1.00 14.41 C ATOM 148 C GLY A 13 42.414 6.490 6.846 1.00 2.45 C ATOM 149 O GLY A 13 43.144 6.354 7.827 1.00 25.23 O ATOM 0 H GLY A 13 39.858 7.513 5.493 1.00 11.34 H new ATOM 0 HA2 GLY A 13 40.655 6.477 8.063 1.00 14.41 H new ATOM 0 HA3 GLY A 13 40.487 5.609 6.550 1.00 14.41 H new ATOM 153 N GLU A 14 42.881 6.628 5.609 1.00 32.12 N ATOM 154 CA GLU A 14 44.312 6.625 5.328 1.00 13.14 C ATOM 155 C GLU A 14 44.958 5.330 5.812 1.00 44.23 C ATOM 156 O GLU A 14 44.293 4.467 6.382 1.00 24.34 O ATOM 157 CB GLU A 14 44.987 7.825 5.995 1.00 2.22 C ATOM 158 CG GLU A 14 45.998 8.528 5.104 1.00 33.40 C ATOM 159 CD GLU A 14 47.414 8.425 5.635 1.00 44.11 C ATOM 160 OE1 GLU A 14 47.678 8.968 6.728 1.00 22.25 O ATOM 161 OE2 GLU A 14 48.259 7.803 4.958 1.00 71.05 O ATOM 0 H GLU A 14 42.290 6.743 4.786 1.00 32.12 H new ATOM 0 HA GLU A 14 44.445 6.696 4.249 1.00 13.14 H new ATOM 0 HB2 GLU A 14 44.222 8.540 6.296 1.00 2.22 H new ATOM 0 HB3 GLU A 14 45.487 7.491 6.904 1.00 2.22 H new ATOM 0 HG2 GLU A 14 45.957 8.097 4.104 1.00 33.40 H new ATOM 0 HG3 GLU A 14 45.725 9.579 5.010 1.00 33.40 H new ATOM 168 N GLY A 15 46.261 5.203 5.578 1.00 61.22 N ATOM 169 CA GLY A 15 46.977 4.011 5.994 1.00 34.15 C ATOM 170 C GLY A 15 47.889 4.266 7.177 1.00 2.34 C ATOM 171 O GLY A 15 48.496 5.332 7.283 1.00 20.31 O ATOM 0 H GLY A 15 46.833 5.904 5.108 1.00 61.22 H new ATOM 0 HA2 GLY A 15 46.260 3.232 6.253 1.00 34.15 H new ATOM 0 HA3 GLY A 15 47.567 3.635 5.158 1.00 34.15 H new ATOM 175 N ALA A 16 47.986 3.287 8.071 1.00 53.13 N ATOM 176 CA ALA A 16 48.831 3.411 9.252 1.00 71.12 C ATOM 177 C ALA A 16 49.597 2.119 9.517 1.00 54.13 C ATOM 178 O ALA A 16 49.420 1.127 8.811 1.00 71.21 O ATOM 179 CB ALA A 16 47.992 3.788 10.464 1.00 61.30 C ATOM 0 H ALA A 16 47.489 2.399 7.999 1.00 53.13 H new ATOM 0 HA ALA A 16 49.558 4.202 9.067 1.00 71.12 H new ATOM 0 HB1 ALA A 16 48.636 3.877 11.339 1.00 61.30 H new ATOM 0 HB2 ALA A 16 47.495 4.741 10.281 1.00 61.30 H new ATOM 0 HB3 ALA A 16 47.243 3.017 10.642 1.00 61.30 H new ATOM 185 N GLU A 17 50.448 2.140 10.538 1.00 73.32 N ATOM 186 CA GLU A 17 51.241 0.969 10.894 1.00 42.33 C ATOM 187 C GLU A 17 50.768 0.373 12.217 1.00 45.34 C ATOM 188 O GLU A 17 49.861 0.901 12.859 1.00 62.34 O ATOM 189 CB GLU A 17 52.723 1.340 10.989 1.00 33.22 C ATOM 190 CG GLU A 17 53.611 0.544 10.047 1.00 11.24 C ATOM 191 CD GLU A 17 54.320 1.421 9.034 1.00 1.50 C ATOM 192 OE1 GLU A 17 55.247 2.158 9.433 1.00 34.11 O ATOM 193 OE2 GLU A 17 53.949 1.372 7.843 1.00 51.02 O ATOM 0 H GLU A 17 50.606 2.954 11.132 1.00 73.32 H new ATOM 0 HA GLU A 17 51.110 0.221 10.112 1.00 42.33 H new ATOM 0 HB2 GLU A 17 52.838 2.402 10.772 1.00 33.22 H new ATOM 0 HB3 GLU A 17 53.063 1.185 12.013 1.00 33.22 H new ATOM 0 HG2 GLU A 17 54.352 -0.005 10.629 1.00 11.24 H new ATOM 0 HG3 GLU A 17 53.007 -0.196 9.522 1.00 11.24 H new ATOM 200 N GLY A 18 51.391 -0.731 12.618 1.00 70.25 N ATOM 201 CA GLY A 18 51.020 -1.382 13.861 1.00 45.23 C ATOM 202 C GLY A 18 52.114 -1.297 14.908 1.00 75.25 C ATOM 203 O GLY A 18 53.292 -1.487 14.603 1.00 12.14 O ATOM 0 H GLY A 18 52.146 -1.186 12.104 1.00 70.25 H new ATOM 0 HA2 GLY A 18 50.111 -0.923 14.251 1.00 45.23 H new ATOM 0 HA3 GLY A 18 50.789 -2.429 13.665 1.00 45.23 H new ATOM 207 N THR A 19 51.724 -1.010 16.146 1.00 42.32 N ATOM 208 CA THR A 19 52.679 -0.897 17.241 1.00 64.33 C ATOM 209 C THR A 19 52.093 -1.439 18.540 1.00 42.44 C ATOM 210 O THR A 19 50.874 -1.505 18.701 1.00 21.40 O ATOM 211 CB THR A 19 53.116 0.564 17.457 1.00 21.15 C ATOM 212 OG1 THR A 19 52.820 1.342 16.292 1.00 25.40 O ATOM 213 CG2 THR A 19 54.604 0.644 17.763 1.00 1.41 C ATOM 0 H THR A 19 50.753 -0.852 16.415 1.00 42.32 H new ATOM 0 HA THR A 19 53.550 -1.491 16.964 1.00 64.33 H new ATOM 0 HB THR A 19 52.564 0.963 18.308 1.00 21.15 H new ATOM 0 HG1 THR A 19 53.100 2.270 16.438 1.00 25.40 H new ATOM 0 HG21 THR A 19 54.889 1.685 17.912 1.00 1.41 H new ATOM 0 HG22 THR A 19 54.821 0.076 18.668 1.00 1.41 H new ATOM 0 HG23 THR A 19 55.170 0.228 16.929 1.00 1.41 H new ATOM 221 N CYS A 20 52.968 -1.823 19.463 1.00 74.04 N ATOM 222 CA CYS A 20 52.536 -2.359 20.749 1.00 52.03 C ATOM 223 C CYS A 20 52.586 -1.285 21.830 1.00 1.50 C ATOM 224 O CYS A 20 53.113 -0.193 21.612 1.00 30.25 O ATOM 225 CB CYS A 20 53.413 -3.546 21.151 1.00 50.44 C ATOM 226 SG CYS A 20 55.117 -3.100 21.557 1.00 45.52 S ATOM 0 H CYS A 20 53.980 -1.773 19.345 1.00 74.04 H new ATOM 0 HA CYS A 20 51.505 -2.697 20.646 1.00 52.03 H new ATOM 0 HB2 CYS A 20 52.963 -4.041 22.012 1.00 50.44 H new ATOM 0 HB3 CYS A 20 53.422 -4.270 20.336 1.00 50.44 H new ATOM 0 HG CYS A 20 55.779 -4.169 21.886 1.00 45.52 H new ATOM 232 N LYS A 21 52.033 -1.600 22.996 1.00 1.03 N ATOM 233 CA LYS A 21 52.014 -0.663 24.113 1.00 53.51 C ATOM 234 C LYS A 21 51.723 -1.385 25.425 1.00 44.34 C ATOM 235 O LYS A 21 51.411 -2.575 25.432 1.00 50.12 O ATOM 236 CB LYS A 21 50.964 0.425 23.874 1.00 0.21 C ATOM 237 CG LYS A 21 51.558 1.769 23.488 1.00 14.02 C ATOM 238 CD LYS A 21 51.085 2.875 24.417 1.00 25.35 C ATOM 239 CE LYS A 21 49.630 3.234 24.162 1.00 33.31 C ATOM 240 NZ LYS A 21 49.464 4.677 23.835 1.00 75.13 N ATOM 0 H LYS A 21 51.591 -2.498 23.192 1.00 1.03 H new ATOM 0 HA LYS A 21 52.999 -0.201 24.184 1.00 53.51 H new ATOM 0 HB2 LYS A 21 50.286 0.097 23.086 1.00 0.21 H new ATOM 0 HB3 LYS A 21 50.367 0.547 24.778 1.00 0.21 H new ATOM 0 HG2 LYS A 21 52.646 1.709 23.517 1.00 14.02 H new ATOM 0 HG3 LYS A 21 51.279 2.010 22.462 1.00 14.02 H new ATOM 0 HD2 LYS A 21 51.206 2.558 25.453 1.00 25.35 H new ATOM 0 HD3 LYS A 21 51.708 3.759 24.279 1.00 25.35 H new ATOM 0 HE2 LYS A 21 49.245 2.629 23.341 1.00 33.31 H new ATOM 0 HE3 LYS A 21 49.036 2.991 25.043 1.00 33.31 H new ATOM 0 HZ1 LYS A 21 48.458 4.882 23.668 1.00 75.13 H new ATOM 0 HZ2 LYS A 21 49.808 5.255 24.629 1.00 75.13 H new ATOM 0 HZ3 LYS A 21 50.010 4.904 22.980 1.00 75.13 H new ATOM 254 N GLU A 22 51.827 -0.656 26.532 1.00 65.32 N ATOM 255 CA GLU A 22 51.575 -1.229 27.849 1.00 61.02 C ATOM 256 C GLU A 22 50.080 -1.435 28.075 1.00 21.11 C ATOM 257 O GLU A 22 49.279 -1.306 27.150 1.00 11.12 O ATOM 258 CB GLU A 22 52.147 -0.324 28.941 1.00 3.54 C ATOM 259 CG GLU A 22 53.044 -1.052 29.928 1.00 31.32 C ATOM 260 CD GLU A 22 53.367 -0.216 31.151 1.00 12.20 C ATOM 261 OE1 GLU A 22 52.427 0.138 31.893 1.00 3.05 O ATOM 262 OE2 GLU A 22 54.560 0.085 31.365 1.00 30.33 O ATOM 0 H GLU A 22 52.084 0.331 26.543 1.00 65.32 H new ATOM 0 HA GLU A 22 52.069 -2.199 27.896 1.00 61.02 H new ATOM 0 HB2 GLU A 22 52.714 0.481 28.474 1.00 3.54 H new ATOM 0 HB3 GLU A 22 51.324 0.140 29.485 1.00 3.54 H new ATOM 0 HG2 GLU A 22 52.558 -1.975 30.242 1.00 31.32 H new ATOM 0 HG3 GLU A 22 53.972 -1.334 29.430 1.00 31.32 H new ATOM 269 N GLU A 23 49.713 -1.757 29.312 1.00 45.13 N ATOM 270 CA GLU A 23 48.315 -1.982 29.659 1.00 63.30 C ATOM 271 C GLU A 23 47.574 -0.658 29.817 1.00 33.05 C ATOM 272 O GLU A 23 47.131 -0.307 30.912 1.00 22.50 O ATOM 273 CB GLU A 23 48.212 -2.795 30.951 1.00 3.14 C ATOM 274 CG GLU A 23 46.829 -3.374 31.197 1.00 25.45 C ATOM 275 CD GLU A 23 46.775 -4.247 32.436 1.00 34.04 C ATOM 276 OE1 GLU A 23 46.779 -3.690 33.554 1.00 12.02 O ATOM 277 OE2 GLU A 23 46.728 -5.486 32.289 1.00 52.05 O ATOM 0 H GLU A 23 50.364 -1.868 30.089 1.00 45.13 H new ATOM 0 HA GLU A 23 47.851 -2.543 28.848 1.00 63.30 H new ATOM 0 HB2 GLU A 23 48.937 -3.609 30.917 1.00 3.14 H new ATOM 0 HB3 GLU A 23 48.486 -2.159 31.793 1.00 3.14 H new ATOM 0 HG2 GLU A 23 46.111 -2.560 31.299 1.00 25.45 H new ATOM 0 HG3 GLU A 23 46.525 -3.961 30.330 1.00 25.45 H new ATOM 284 N THR A 24 47.442 0.075 28.716 1.00 11.23 N ATOM 285 CA THR A 24 46.756 1.361 28.732 1.00 43.20 C ATOM 286 C THR A 24 46.368 1.795 27.323 1.00 62.41 C ATOM 287 O THR A 24 47.207 1.838 26.424 1.00 41.13 O ATOM 288 CB THR A 24 47.631 2.456 29.371 1.00 11.41 C ATOM 289 OG1 THR A 24 48.958 1.962 29.583 1.00 31.00 O ATOM 290 CG2 THR A 24 47.039 2.918 30.694 1.00 11.21 C ATOM 0 H THR A 24 47.801 -0.200 27.802 1.00 11.23 H new ATOM 0 HA THR A 24 45.854 1.231 29.330 1.00 43.20 H new ATOM 0 HB THR A 24 47.665 3.306 28.690 1.00 11.41 H new ATOM 0 HG1 THR A 24 49.508 2.665 29.988 1.00 31.00 H new ATOM 0 HG21 THR A 24 47.674 3.691 31.126 1.00 11.21 H new ATOM 0 HG22 THR A 24 46.041 3.321 30.525 1.00 11.21 H new ATOM 0 HG23 THR A 24 46.978 2.073 31.380 1.00 11.21 H new ATOM 298 N ALA A 25 45.092 2.115 27.138 1.00 52.01 N ATOM 299 CA ALA A 25 44.594 2.548 25.838 1.00 35.13 C ATOM 300 C ALA A 25 43.180 3.109 25.951 1.00 21.13 C ATOM 301 O ALA A 25 42.369 2.623 26.741 1.00 63.41 O ATOM 302 CB ALA A 25 44.627 1.393 24.849 1.00 64.34 C ATOM 0 H ALA A 25 44.384 2.083 27.872 1.00 52.01 H new ATOM 0 HA ALA A 25 45.245 3.343 25.474 1.00 35.13 H new ATOM 0 HB1 ALA A 25 44.252 1.731 23.883 1.00 64.34 H new ATOM 0 HB2 ALA A 25 45.652 1.039 24.737 1.00 64.34 H new ATOM 0 HB3 ALA A 25 44.000 0.581 25.217 1.00 64.34 H new ATOM 308 N LEU A 26 42.891 4.135 25.159 1.00 73.35 N ATOM 309 CA LEU A 26 41.574 4.763 25.170 1.00 22.00 C ATOM 310 C LEU A 26 41.119 5.100 23.754 1.00 44.43 C ATOM 311 O LEU A 26 41.702 5.959 23.091 1.00 23.11 O ATOM 312 CB LEU A 26 41.600 6.031 26.025 1.00 31.03 C ATOM 313 CG LEU A 26 42.461 5.972 27.287 1.00 21.14 C ATOM 314 CD1 LEU A 26 43.863 6.488 27.002 1.00 70.44 C ATOM 315 CD2 LEU A 26 41.816 6.770 28.411 1.00 21.01 C ATOM 0 H LEU A 26 43.551 4.550 24.501 1.00 73.35 H new ATOM 0 HA LEU A 26 40.865 4.056 25.600 1.00 22.00 H new ATOM 0 HB2 LEU A 26 41.954 6.855 25.406 1.00 31.03 H new ATOM 0 HB3 LEU A 26 40.577 6.269 26.318 1.00 31.03 H new ATOM 0 HG LEU A 26 42.536 4.932 27.603 1.00 21.14 H new ATOM 0 HD11 LEU A 26 44.461 6.438 27.912 1.00 70.44 H new ATOM 0 HD12 LEU A 26 44.326 5.875 26.229 1.00 70.44 H new ATOM 0 HD13 LEU A 26 43.808 7.522 26.660 1.00 70.44 H new ATOM 0 HD21 LEU A 26 42.443 6.717 29.301 1.00 21.01 H new ATOM 0 HD22 LEU A 26 41.710 7.810 28.104 1.00 21.01 H new ATOM 0 HD23 LEU A 26 40.833 6.355 28.634 1.00 21.01 H new ATOM 327 N VAL A 27 40.073 4.420 23.296 1.00 50.42 N ATOM 328 CA VAL A 27 39.537 4.650 21.959 1.00 3.24 C ATOM 329 C VAL A 27 38.025 4.461 21.934 1.00 72.04 C ATOM 330 O VAL A 27 37.491 3.555 22.573 1.00 24.01 O ATOM 331 CB VAL A 27 40.180 3.705 20.927 1.00 34.40 C ATOM 332 CG1 VAL A 27 41.688 3.654 21.115 1.00 21.44 C ATOM 333 CG2 VAL A 27 39.574 2.313 21.030 1.00 12.14 C ATOM 0 H VAL A 27 39.580 3.705 23.831 1.00 50.42 H new ATOM 0 HA VAL A 27 39.775 5.680 21.694 1.00 3.24 H new ATOM 0 HB VAL A 27 39.976 4.093 19.929 1.00 34.40 H new ATOM 0 HG11 VAL A 27 42.124 2.981 20.377 1.00 21.44 H new ATOM 0 HG12 VAL A 27 42.105 4.653 20.986 1.00 21.44 H new ATOM 0 HG13 VAL A 27 41.918 3.291 22.117 1.00 21.44 H new ATOM 0 HG21 VAL A 27 40.040 1.658 20.294 1.00 12.14 H new ATOM 0 HG22 VAL A 27 39.745 1.915 22.030 1.00 12.14 H new ATOM 0 HG23 VAL A 27 38.502 2.368 20.840 1.00 12.14 H new ATOM 343 N ALA A 28 37.339 5.322 21.189 1.00 11.33 N ATOM 344 CA ALA A 28 35.887 5.249 21.078 1.00 64.33 C ATOM 345 C ALA A 28 35.471 4.544 19.791 1.00 32.43 C ATOM 346 O ALA A 28 36.045 4.780 18.728 1.00 31.42 O ATOM 347 CB ALA A 28 35.282 6.643 21.137 1.00 1.33 C ATOM 0 H ALA A 28 37.765 6.078 20.653 1.00 11.33 H new ATOM 0 HA ALA A 28 35.512 4.667 21.919 1.00 64.33 H new ATOM 0 HB1 ALA A 28 34.198 6.573 21.053 1.00 1.33 H new ATOM 0 HB2 ALA A 28 35.543 7.113 22.085 1.00 1.33 H new ATOM 0 HB3 ALA A 28 35.671 7.244 20.315 1.00 1.33 H new ATOM 353 N VAL A 29 34.469 3.676 19.895 1.00 13.31 N ATOM 354 CA VAL A 29 33.975 2.937 18.740 1.00 71.14 C ATOM 355 C VAL A 29 32.465 3.090 18.594 1.00 61.43 C ATOM 356 O VAL A 29 31.725 3.018 19.575 1.00 73.23 O ATOM 357 CB VAL A 29 34.321 1.439 18.842 1.00 51.52 C ATOM 358 CG1 VAL A 29 34.028 0.733 17.527 1.00 35.43 C ATOM 359 CG2 VAL A 29 35.777 1.256 19.242 1.00 30.31 C ATOM 0 H VAL A 29 33.984 3.468 20.768 1.00 13.31 H new ATOM 0 HA VAL A 29 34.466 3.357 17.862 1.00 71.14 H new ATOM 0 HB VAL A 29 33.696 0.990 19.614 1.00 51.52 H new ATOM 0 HG11 VAL A 29 34.278 -0.324 17.618 1.00 35.43 H new ATOM 0 HG12 VAL A 29 32.970 0.836 17.287 1.00 35.43 H new ATOM 0 HG13 VAL A 29 34.626 1.180 16.733 1.00 35.43 H new ATOM 0 HG21 VAL A 29 36.005 0.192 19.310 1.00 30.31 H new ATOM 0 HG22 VAL A 29 36.421 1.718 18.494 1.00 30.31 H new ATOM 0 HG23 VAL A 29 35.950 1.726 20.210 1.00 30.31 H new ATOM 369 N LYS A 30 32.014 3.300 17.362 1.00 53.41 N ATOM 370 CA LYS A 30 30.591 3.462 17.085 1.00 63.30 C ATOM 371 C LYS A 30 30.126 2.464 16.029 1.00 32.24 C ATOM 372 O LYS A 30 30.654 2.429 14.918 1.00 55.53 O ATOM 373 CB LYS A 30 30.301 4.889 16.616 1.00 53.11 C ATOM 374 CG LYS A 30 31.028 5.269 15.338 1.00 41.22 C ATOM 375 CD LYS A 30 31.093 6.777 15.161 1.00 63.04 C ATOM 376 CE LYS A 30 30.148 7.251 14.067 1.00 4.11 C ATOM 377 NZ LYS A 30 28.817 7.636 14.613 1.00 62.44 N ATOM 0 H LYS A 30 32.613 3.362 16.539 1.00 53.41 H new ATOM 0 HA LYS A 30 30.042 3.271 18.007 1.00 63.30 H new ATOM 0 HB2 LYS A 30 29.228 5.000 16.460 1.00 53.11 H new ATOM 0 HB3 LYS A 30 30.583 5.586 17.405 1.00 53.11 H new ATOM 0 HG2 LYS A 30 32.038 4.860 15.358 1.00 41.22 H new ATOM 0 HG3 LYS A 30 30.520 4.823 14.483 1.00 41.22 H new ATOM 0 HD2 LYS A 30 30.838 7.266 16.101 1.00 63.04 H new ATOM 0 HD3 LYS A 30 32.113 7.072 14.915 1.00 63.04 H new ATOM 0 HE2 LYS A 30 30.589 8.103 13.550 1.00 4.11 H new ATOM 0 HE3 LYS A 30 30.022 6.460 13.328 1.00 4.11 H new ATOM 0 HZ1 LYS A 30 28.202 7.953 13.837 1.00 62.44 H new ATOM 0 HZ2 LYS A 30 28.385 6.816 15.084 1.00 62.44 H new ATOM 0 HZ3 LYS A 30 28.934 8.408 15.300 1.00 62.44 H new ATOM 391 N VAL A 31 29.133 1.654 16.384 1.00 24.31 N ATOM 392 CA VAL A 31 28.595 0.657 15.466 1.00 21.24 C ATOM 393 C VAL A 31 27.279 1.126 14.856 1.00 61.40 C ATOM 394 O VAL A 31 26.334 1.458 15.571 1.00 0.33 O ATOM 395 CB VAL A 31 28.368 -0.693 16.173 1.00 5.44 C ATOM 396 CG1 VAL A 31 27.473 -0.514 17.390 1.00 71.51 C ATOM 397 CG2 VAL A 31 27.774 -1.707 15.208 1.00 42.55 C ATOM 0 H VAL A 31 28.685 1.669 17.300 1.00 24.31 H new ATOM 0 HA VAL A 31 29.333 0.525 14.675 1.00 21.24 H new ATOM 0 HB VAL A 31 29.332 -1.072 16.513 1.00 5.44 H new ATOM 0 HG11 VAL A 31 27.324 -1.478 17.877 1.00 71.51 H new ATOM 0 HG12 VAL A 31 27.944 0.177 18.090 1.00 71.51 H new ATOM 0 HG13 VAL A 31 26.509 -0.112 17.077 1.00 71.51 H new ATOM 0 HG21 VAL A 31 27.621 -2.654 15.725 1.00 42.55 H new ATOM 0 HG22 VAL A 31 26.819 -1.338 14.835 1.00 42.55 H new ATOM 0 HG23 VAL A 31 28.457 -1.856 14.371 1.00 42.55 H new ATOM 407 N VAL A 32 27.224 1.149 13.528 1.00 2.20 N ATOM 408 CA VAL A 32 26.023 1.576 12.820 1.00 61.20 C ATOM 409 C VAL A 32 25.410 0.422 12.034 1.00 15.43 C ATOM 410 O VAL A 32 26.111 -0.494 11.608 1.00 31.01 O ATOM 411 CB VAL A 32 26.324 2.738 11.855 1.00 74.35 C ATOM 412 CG1 VAL A 32 26.799 3.961 12.623 1.00 53.41 C ATOM 413 CG2 VAL A 32 27.354 2.316 10.818 1.00 71.41 C ATOM 0 H VAL A 32 27.997 0.877 12.921 1.00 2.20 H new ATOM 0 HA VAL A 32 25.314 1.915 13.575 1.00 61.20 H new ATOM 0 HB VAL A 32 25.404 3.001 11.333 1.00 74.35 H new ATOM 0 HG11 VAL A 32 27.007 4.771 11.924 1.00 53.41 H new ATOM 0 HG12 VAL A 32 26.024 4.275 13.323 1.00 53.41 H new ATOM 0 HG13 VAL A 32 27.707 3.715 13.173 1.00 53.41 H new ATOM 0 HG21 VAL A 32 27.555 3.149 10.144 1.00 71.41 H new ATOM 0 HG22 VAL A 32 28.277 2.024 11.319 1.00 71.41 H new ATOM 0 HG23 VAL A 32 26.970 1.472 10.246 1.00 71.41 H new ATOM 423 N ASN A 33 24.095 0.475 11.846 1.00 11.11 N ATOM 424 CA ASN A 33 23.386 -0.566 11.111 1.00 13.01 C ATOM 425 C ASN A 33 22.562 0.035 9.976 1.00 61.52 C ATOM 426 O ASN A 33 22.143 1.190 10.043 1.00 22.30 O ATOM 427 CB ASN A 33 22.476 -1.355 12.054 1.00 34.42 C ATOM 428 CG ASN A 33 21.618 -2.367 11.318 1.00 24.02 C ATOM 429 OD1 ASN A 33 22.092 -3.061 10.419 1.00 62.14 O ATOM 430 ND2 ASN A 33 20.349 -2.455 11.698 1.00 0.43 N ATOM 0 H ASN A 33 23.499 1.227 12.192 1.00 11.11 H new ATOM 0 HA ASN A 33 24.126 -1.241 10.681 1.00 13.01 H new ATOM 0 HB2 ASN A 33 23.086 -1.871 12.796 1.00 34.42 H new ATOM 0 HB3 ASN A 33 21.832 -0.663 12.596 1.00 34.42 H new ATOM 0 HD21 ASN A 33 19.724 -3.118 11.240 1.00 0.43 H new ATOM 0 HD22 ASN A 33 19.999 -1.859 12.448 1.00 0.43 H new ATOM 437 N ALA A 34 22.334 -0.759 8.934 1.00 14.42 N ATOM 438 CA ALA A 34 21.558 -0.307 7.786 1.00 41.23 C ATOM 439 C ALA A 34 20.202 0.239 8.219 1.00 31.04 C ATOM 440 O ALA A 34 19.725 1.240 7.685 1.00 42.33 O ATOM 441 CB ALA A 34 21.378 -1.443 6.790 1.00 30.44 C ATOM 0 H ALA A 34 22.676 -1.717 8.862 1.00 14.42 H new ATOM 0 HA ALA A 34 22.108 0.501 7.304 1.00 41.23 H new ATOM 0 HB1 ALA A 34 20.797 -1.091 5.938 1.00 30.44 H new ATOM 0 HB2 ALA A 34 22.355 -1.784 6.447 1.00 30.44 H new ATOM 0 HB3 ALA A 34 20.854 -2.269 7.271 1.00 30.44 H new ATOM 447 N ASP A 35 19.585 -0.426 9.190 1.00 1.52 N ATOM 448 CA ASP A 35 18.283 -0.007 9.696 1.00 0.51 C ATOM 449 C ASP A 35 18.382 1.345 10.398 1.00 72.54 C ATOM 450 O ASP A 35 17.401 2.082 10.488 1.00 61.23 O ATOM 451 CB ASP A 35 17.724 -1.055 10.659 1.00 64.52 C ATOM 452 CG ASP A 35 17.717 -2.447 10.058 1.00 71.32 C ATOM 453 OD1 ASP A 35 17.728 -2.557 8.814 1.00 53.34 O ATOM 454 OD2 ASP A 35 17.701 -3.427 10.832 1.00 61.15 O ATOM 0 H ASP A 35 19.966 -1.257 9.642 1.00 1.52 H new ATOM 0 HA ASP A 35 17.606 0.092 8.847 1.00 0.51 H new ATOM 0 HB2 ASP A 35 18.319 -1.059 11.572 1.00 64.52 H new ATOM 0 HB3 ASP A 35 16.708 -0.779 10.942 1.00 64.52 H new ATOM 459 N GLY A 36 19.574 1.662 10.895 1.00 55.15 N ATOM 460 CA GLY A 36 19.778 2.923 11.583 1.00 41.32 C ATOM 461 C GLY A 36 20.253 2.735 13.010 1.00 64.42 C ATOM 462 O GLY A 36 21.030 3.539 13.524 1.00 64.43 O ATOM 0 H GLY A 36 20.401 1.068 10.833 1.00 55.15 H new ATOM 0 HA2 GLY A 36 20.509 3.518 11.035 1.00 41.32 H new ATOM 0 HA3 GLY A 36 18.845 3.487 11.585 1.00 41.32 H new ATOM 466 N ALA A 37 19.784 1.670 13.652 1.00 24.21 N ATOM 467 CA ALA A 37 20.167 1.378 15.028 1.00 13.01 C ATOM 468 C ALA A 37 21.683 1.385 15.190 1.00 51.40 C ATOM 469 O ALA A 37 22.379 0.537 14.634 1.00 62.11 O ATOM 470 CB ALA A 37 19.594 0.037 15.462 1.00 62.32 C ATOM 0 H ALA A 37 19.138 0.995 13.241 1.00 24.21 H new ATOM 0 HA ALA A 37 19.757 2.160 15.667 1.00 13.01 H new ATOM 0 HB1 ALA A 37 19.888 -0.168 16.491 1.00 62.32 H new ATOM 0 HB2 ALA A 37 18.507 0.067 15.394 1.00 62.32 H new ATOM 0 HB3 ALA A 37 19.977 -0.750 14.812 1.00 62.32 H new ATOM 476 N GLU A 38 22.187 2.349 15.954 1.00 3.22 N ATOM 477 CA GLU A 38 23.622 2.467 16.187 1.00 70.41 C ATOM 478 C GLU A 38 23.912 2.780 17.652 1.00 54.50 C ATOM 479 O GLU A 38 23.024 3.197 18.396 1.00 72.34 O ATOM 480 CB GLU A 38 24.219 3.556 15.293 1.00 33.30 C ATOM 481 CG GLU A 38 23.775 4.960 15.666 1.00 53.21 C ATOM 482 CD GLU A 38 24.413 6.024 14.794 1.00 14.42 C ATOM 483 OE1 GLU A 38 24.034 6.124 13.608 1.00 22.11 O ATOM 484 OE2 GLU A 38 25.290 6.757 15.297 1.00 14.12 O ATOM 0 H GLU A 38 21.624 3.059 16.422 1.00 3.22 H new ATOM 0 HA GLU A 38 24.084 1.511 15.940 1.00 70.41 H new ATOM 0 HB2 GLU A 38 25.306 3.502 15.346 1.00 33.30 H new ATOM 0 HB3 GLU A 38 23.940 3.358 14.258 1.00 33.30 H new ATOM 0 HG2 GLU A 38 22.690 5.029 15.582 1.00 53.21 H new ATOM 0 HG3 GLU A 38 24.026 5.152 16.709 1.00 53.21 H new ATOM 491 N MET A 39 25.160 2.577 18.059 1.00 63.01 N ATOM 492 CA MET A 39 25.568 2.839 19.435 1.00 74.35 C ATOM 493 C MET A 39 27.085 2.961 19.539 1.00 75.45 C ATOM 494 O MET A 39 27.822 2.126 19.013 1.00 13.12 O ATOM 495 CB MET A 39 25.069 1.725 20.357 1.00 23.22 C ATOM 496 CG MET A 39 25.511 0.336 19.926 1.00 34.40 C ATOM 497 SD MET A 39 24.597 -0.974 20.763 1.00 71.42 S ATOM 498 CE MET A 39 25.922 -1.808 21.633 1.00 34.43 C ATOM 0 H MET A 39 25.907 2.232 17.456 1.00 63.01 H new ATOM 0 HA MET A 39 25.124 3.785 19.746 1.00 74.35 H new ATOM 0 HB2 MET A 39 25.428 1.914 21.369 1.00 23.22 H new ATOM 0 HB3 MET A 39 23.980 1.756 20.394 1.00 23.22 H new ATOM 0 HG2 MET A 39 25.379 0.235 18.849 1.00 34.40 H new ATOM 0 HG3 MET A 39 26.575 0.218 20.129 1.00 34.40 H new ATOM 0 HE1 MET A 39 25.515 -2.646 22.199 1.00 34.43 H new ATOM 0 HE2 MET A 39 26.653 -2.177 20.914 1.00 34.43 H new ATOM 0 HE3 MET A 39 26.405 -1.109 22.316 1.00 34.43 H new ATOM 508 N PHE A 40 27.544 4.005 20.219 1.00 5.20 N ATOM 509 CA PHE A 40 28.974 4.237 20.391 1.00 60.45 C ATOM 510 C PHE A 40 29.344 4.282 21.870 1.00 20.52 C ATOM 511 O PHE A 40 28.519 4.624 22.718 1.00 63.12 O ATOM 512 CB PHE A 40 29.386 5.544 19.710 1.00 32.13 C ATOM 513 CG PHE A 40 28.943 6.772 20.454 1.00 60.35 C ATOM 514 CD1 PHE A 40 27.673 7.292 20.263 1.00 0.34 C ATOM 515 CD2 PHE A 40 29.796 7.405 21.343 1.00 63.04 C ATOM 516 CE1 PHE A 40 27.264 8.422 20.945 1.00 15.45 C ATOM 517 CE2 PHE A 40 29.392 8.535 22.028 1.00 41.31 C ATOM 518 CZ PHE A 40 28.124 9.044 21.830 1.00 74.13 C ATOM 0 H PHE A 40 26.947 4.705 20.660 1.00 5.20 H new ATOM 0 HA PHE A 40 29.509 3.409 19.926 1.00 60.45 H new ATOM 0 HB2 PHE A 40 30.471 5.564 19.605 1.00 32.13 H new ATOM 0 HB3 PHE A 40 28.968 5.568 18.704 1.00 32.13 H new ATOM 0 HD1 PHE A 40 26.996 6.809 19.574 1.00 0.34 H new ATOM 0 HD2 PHE A 40 30.789 7.011 21.503 1.00 63.04 H new ATOM 0 HE1 PHE A 40 26.272 8.819 20.786 1.00 15.45 H new ATOM 0 HE2 PHE A 40 30.067 9.020 22.718 1.00 41.31 H new ATOM 0 HZ PHE A 40 27.805 9.926 22.365 1.00 74.13 H new ATOM 528 N PHE A 41 30.590 3.933 22.173 1.00 20.32 N ATOM 529 CA PHE A 41 31.070 3.931 23.550 1.00 2.21 C ATOM 530 C PHE A 41 32.594 4.003 23.595 1.00 73.21 C ATOM 531 O PHE A 41 33.270 3.678 22.619 1.00 50.12 O ATOM 532 CB PHE A 41 30.586 2.677 24.280 1.00 34.12 C ATOM 533 CG PHE A 41 29.463 2.940 25.243 1.00 61.31 C ATOM 534 CD1 PHE A 41 29.721 3.445 26.507 1.00 50.40 C ATOM 535 CD2 PHE A 41 28.150 2.682 24.884 1.00 60.32 C ATOM 536 CE1 PHE A 41 28.690 3.687 27.395 1.00 51.31 C ATOM 537 CE2 PHE A 41 27.115 2.922 25.767 1.00 13.14 C ATOM 538 CZ PHE A 41 27.385 3.427 27.024 1.00 21.53 C ATOM 0 H PHE A 41 31.286 3.648 21.484 1.00 20.32 H new ATOM 0 HA PHE A 41 30.667 4.812 24.050 1.00 2.21 H new ATOM 0 HB2 PHE A 41 30.259 1.942 23.545 1.00 34.12 H new ATOM 0 HB3 PHE A 41 31.423 2.236 24.822 1.00 34.12 H new ATOM 0 HD1 PHE A 41 30.739 3.652 26.802 1.00 50.40 H new ATOM 0 HD2 PHE A 41 27.933 2.288 23.902 1.00 60.32 H new ATOM 0 HE1 PHE A 41 28.904 4.079 28.378 1.00 51.31 H new ATOM 0 HE2 PHE A 41 26.096 2.715 25.475 1.00 13.14 H new ATOM 0 HZ PHE A 41 26.578 3.618 27.715 1.00 21.53 H new ATOM 548 N ARG A 42 33.127 4.431 24.735 1.00 73.04 N ATOM 549 CA ARG A 42 34.570 4.547 24.907 1.00 53.31 C ATOM 550 C ARG A 42 35.126 3.343 25.662 1.00 50.54 C ATOM 551 O ARG A 42 34.601 2.957 26.707 1.00 45.33 O ATOM 552 CB ARG A 42 34.913 5.836 25.657 1.00 71.13 C ATOM 553 CG ARG A 42 36.360 6.270 25.491 1.00 22.33 C ATOM 554 CD ARG A 42 36.462 7.742 25.123 1.00 30.42 C ATOM 555 NE ARG A 42 37.711 8.337 25.590 1.00 41.42 N ATOM 556 CZ ARG A 42 37.964 8.610 26.865 1.00 11.20 C ATOM 557 NH1 ARG A 42 37.059 8.342 27.796 1.00 72.51 N ATOM 558 NH2 ARG A 42 39.124 9.152 27.211 1.00 4.43 N ATOM 0 H ARG A 42 32.581 4.703 25.553 1.00 73.04 H new ATOM 0 HA ARG A 42 35.028 4.577 23.918 1.00 53.31 H new ATOM 0 HB2 ARG A 42 34.260 6.635 25.306 1.00 71.13 H new ATOM 0 HB3 ARG A 42 34.704 5.696 26.718 1.00 71.13 H new ATOM 0 HG2 ARG A 42 36.904 6.087 26.417 1.00 22.33 H new ATOM 0 HG3 ARG A 42 36.835 5.667 24.718 1.00 22.33 H new ATOM 0 HD2 ARG A 42 36.391 7.851 24.041 1.00 30.42 H new ATOM 0 HD3 ARG A 42 35.619 8.283 25.554 1.00 30.42 H new ATOM 0 HE ARG A 42 38.429 8.555 24.899 1.00 41.42 H new ATOM 0 HH11 ARG A 42 36.166 7.925 27.534 1.00 72.51 H new ATOM 0 HH12 ARG A 42 37.256 8.553 28.774 1.00 72.51 H new ATOM 0 HH21 ARG A 42 39.823 9.360 26.498 1.00 4.43 H new ATOM 0 HH22 ARG A 42 39.317 9.361 28.190 1.00 4.43 H new ATOM 572 N ILE A 43 36.190 2.755 25.125 1.00 54.21 N ATOM 573 CA ILE A 43 36.817 1.596 25.748 1.00 54.10 C ATOM 574 C ILE A 43 38.241 1.402 25.240 1.00 3.51 C ATOM 575 O ILE A 43 38.620 1.939 24.199 1.00 54.24 O ATOM 576 CB ILE A 43 36.011 0.311 25.485 1.00 75.54 C ATOM 577 CG1 ILE A 43 36.405 -0.779 26.484 1.00 3.31 C ATOM 578 CG2 ILE A 43 36.229 -0.168 24.057 1.00 32.52 C ATOM 579 CD1 ILE A 43 35.236 -1.606 26.969 1.00 33.32 C ATOM 0 H ILE A 43 36.636 3.062 24.260 1.00 54.21 H new ATOM 0 HA ILE A 43 36.839 1.788 26.821 1.00 54.10 H new ATOM 0 HB ILE A 43 34.952 0.532 25.616 1.00 75.54 H new ATOM 0 HG12 ILE A 43 37.138 -1.438 26.019 1.00 3.31 H new ATOM 0 HG13 ILE A 43 36.892 -0.315 27.342 1.00 3.31 H new ATOM 0 HG21 ILE A 43 35.653 -1.077 23.886 1.00 32.52 H new ATOM 0 HG22 ILE A 43 35.903 0.604 23.360 1.00 32.52 H new ATOM 0 HG23 ILE A 43 37.288 -0.375 23.900 1.00 32.52 H new ATOM 0 HD11 ILE A 43 35.590 -2.358 27.674 1.00 33.32 H new ATOM 0 HD12 ILE A 43 34.512 -0.958 27.463 1.00 33.32 H new ATOM 0 HD13 ILE A 43 34.762 -2.099 26.120 1.00 33.32 H new ATOM 591 N LYS A 44 39.028 0.630 25.982 1.00 41.32 N ATOM 592 CA LYS A 44 40.411 0.362 25.607 1.00 62.35 C ATOM 593 C LYS A 44 40.484 -0.293 24.231 1.00 63.12 C ATOM 594 O LYS A 44 39.751 -1.239 23.943 1.00 14.23 O ATOM 595 CB LYS A 44 41.078 -0.540 26.648 1.00 1.42 C ATOM 596 CG LYS A 44 41.347 0.156 27.971 1.00 22.03 C ATOM 597 CD LYS A 44 42.829 0.157 28.310 1.00 74.05 C ATOM 598 CE LYS A 44 43.226 -1.095 29.076 1.00 1.14 C ATOM 599 NZ LYS A 44 44.118 -1.977 28.274 1.00 21.11 N ATOM 0 H LYS A 44 38.731 0.179 26.847 1.00 41.32 H new ATOM 0 HA LYS A 44 40.941 1.314 25.566 1.00 62.35 H new ATOM 0 HB2 LYS A 44 40.442 -1.407 26.826 1.00 1.42 H new ATOM 0 HB3 LYS A 44 42.020 -0.912 26.244 1.00 1.42 H new ATOM 0 HG2 LYS A 44 40.983 1.182 27.924 1.00 22.03 H new ATOM 0 HG3 LYS A 44 40.792 -0.343 28.765 1.00 22.03 H new ATOM 0 HD2 LYS A 44 43.413 0.224 27.392 1.00 74.05 H new ATOM 0 HD3 LYS A 44 43.067 1.039 28.904 1.00 74.05 H new ATOM 0 HE2 LYS A 44 43.731 -0.811 29.999 1.00 1.14 H new ATOM 0 HE3 LYS A 44 42.330 -1.647 29.360 1.00 1.14 H new ATOM 0 HZ1 LYS A 44 44.366 -2.819 28.831 1.00 21.11 H new ATOM 0 HZ2 LYS A 44 43.627 -2.269 27.405 1.00 21.11 H new ATOM 0 HZ3 LYS A 44 44.985 -1.460 28.025 1.00 21.11 H new ATOM 613 N SER A 45 41.375 0.215 23.385 1.00 12.10 N ATOM 614 CA SER A 45 41.542 -0.319 22.039 1.00 71.24 C ATOM 615 C SER A 45 41.763 -1.828 22.077 1.00 62.34 C ATOM 616 O SER A 45 41.411 -2.542 21.138 1.00 74.23 O ATOM 617 CB SER A 45 42.719 0.363 21.339 1.00 61.22 C ATOM 618 OG SER A 45 42.392 0.699 20.002 1.00 63.15 O ATOM 0 H SER A 45 41.992 0.996 23.608 1.00 12.10 H new ATOM 0 HA SER A 45 40.629 -0.117 21.479 1.00 71.24 H new ATOM 0 HB2 SER A 45 42.999 1.264 21.886 1.00 61.22 H new ATOM 0 HB3 SER A 45 43.585 -0.298 21.350 1.00 61.22 H new ATOM 0 HG SER A 45 43.099 0.381 19.403 1.00 63.15 H new ATOM 624 N ARG A 46 42.350 -2.307 23.169 1.00 51.40 N ATOM 625 CA ARG A 46 42.620 -3.730 23.330 1.00 30.11 C ATOM 626 C ARG A 46 41.339 -4.546 23.187 1.00 73.34 C ATOM 627 O ARG A 46 41.377 -5.728 22.841 1.00 10.21 O ATOM 628 CB ARG A 46 43.258 -3.999 24.694 1.00 2.32 C ATOM 629 CG ARG A 46 44.021 -5.312 24.762 1.00 52.30 C ATOM 630 CD ARG A 46 45.181 -5.333 23.780 1.00 64.23 C ATOM 631 NE ARG A 46 46.154 -6.374 24.104 1.00 55.23 N ATOM 632 CZ ARG A 46 45.917 -7.672 23.954 1.00 23.43 C ATOM 633 NH1 ARG A 46 44.748 -8.087 23.488 1.00 74.50 N ATOM 634 NH2 ARG A 46 46.852 -8.559 24.271 1.00 4.11 N ATOM 0 H ARG A 46 42.648 -1.730 23.956 1.00 51.40 H new ATOM 0 HA ARG A 46 43.314 -4.033 22.546 1.00 30.11 H new ATOM 0 HB2 ARG A 46 43.937 -3.181 24.936 1.00 2.32 H new ATOM 0 HB3 ARG A 46 42.479 -4.002 25.456 1.00 2.32 H new ATOM 0 HG2 ARG A 46 44.397 -5.464 25.774 1.00 52.30 H new ATOM 0 HG3 ARG A 46 43.345 -6.139 24.546 1.00 52.30 H new ATOM 0 HD2 ARG A 46 44.800 -5.495 22.772 1.00 64.23 H new ATOM 0 HD3 ARG A 46 45.675 -4.362 23.782 1.00 64.23 H new ATOM 0 HE ARG A 46 47.064 -6.088 24.465 1.00 55.23 H new ATOM 0 HH11 ARG A 46 44.027 -7.409 23.243 1.00 74.50 H new ATOM 0 HH12 ARG A 46 44.570 -9.085 23.374 1.00 74.50 H new ATOM 0 HH21 ARG A 46 47.753 -8.244 24.630 1.00 4.11 H new ATOM 0 HH22 ARG A 46 46.669 -9.556 24.156 1.00 4.11 H new ATOM 648 N THR A 47 40.203 -3.908 23.455 1.00 65.33 N ATOM 649 CA THR A 47 38.911 -4.575 23.357 1.00 10.43 C ATOM 650 C THR A 47 37.791 -3.569 23.113 1.00 23.41 C ATOM 651 O THR A 47 37.441 -2.789 23.998 1.00 72.31 O ATOM 652 CB THR A 47 38.595 -5.378 24.633 1.00 3.54 C ATOM 653 OG1 THR A 47 39.550 -5.069 25.655 1.00 62.31 O ATOM 654 CG2 THR A 47 38.612 -6.872 24.350 1.00 24.14 C ATOM 0 H THR A 47 40.152 -2.930 23.741 1.00 65.33 H new ATOM 0 HA THR A 47 38.972 -5.260 22.511 1.00 10.43 H new ATOM 0 HB THR A 47 37.597 -5.101 24.973 1.00 3.54 H new ATOM 0 HG1 THR A 47 39.341 -5.582 26.464 1.00 62.31 H new ATOM 0 HG21 THR A 47 38.386 -7.418 25.266 1.00 24.14 H new ATOM 0 HG22 THR A 47 37.864 -7.107 23.593 1.00 24.14 H new ATOM 0 HG23 THR A 47 39.598 -7.163 23.988 1.00 24.14 H new ATOM 662 N ALA A 48 37.233 -3.594 21.907 1.00 31.03 N ATOM 663 CA ALA A 48 36.150 -2.686 21.548 1.00 25.30 C ATOM 664 C ALA A 48 35.214 -3.325 20.528 1.00 62.02 C ATOM 665 O ALA A 48 34.025 -3.509 20.791 1.00 50.10 O ATOM 666 CB ALA A 48 36.714 -1.381 21.006 1.00 62.45 C ATOM 0 H ALA A 48 37.513 -4.233 21.162 1.00 31.03 H new ATOM 0 HA ALA A 48 35.573 -2.473 22.448 1.00 25.30 H new ATOM 0 HB1 ALA A 48 35.895 -0.712 20.742 1.00 62.45 H new ATOM 0 HB2 ALA A 48 37.336 -0.910 21.767 1.00 62.45 H new ATOM 0 HB3 ALA A 48 37.316 -1.585 20.120 1.00 62.45 H new ATOM 672 N LEU A 49 35.757 -3.661 19.363 1.00 50.12 N ATOM 673 CA LEU A 49 34.969 -4.279 18.302 1.00 64.03 C ATOM 674 C LEU A 49 34.487 -5.665 18.719 1.00 53.45 C ATOM 675 O LEU A 49 33.459 -6.146 18.241 1.00 41.13 O ATOM 676 CB LEU A 49 35.796 -4.379 17.018 1.00 30.15 C ATOM 677 CG LEU A 49 35.193 -3.718 15.779 1.00 42.44 C ATOM 678 CD1 LEU A 49 33.743 -4.139 15.601 1.00 72.14 C ATOM 679 CD2 LEU A 49 35.302 -2.203 15.876 1.00 43.12 C ATOM 0 H LEU A 49 36.739 -3.516 19.129 1.00 50.12 H new ATOM 0 HA LEU A 49 34.097 -3.651 18.118 1.00 64.03 H new ATOM 0 HB2 LEU A 49 36.773 -3.934 17.203 1.00 30.15 H new ATOM 0 HB3 LEU A 49 35.963 -5.433 16.798 1.00 30.15 H new ATOM 0 HG LEU A 49 35.755 -4.048 14.905 1.00 42.44 H new ATOM 0 HD11 LEU A 49 33.331 -3.658 14.714 1.00 72.14 H new ATOM 0 HD12 LEU A 49 33.690 -5.221 15.485 1.00 72.14 H new ATOM 0 HD13 LEU A 49 33.167 -3.839 16.477 1.00 72.14 H new ATOM 0 HD21 LEU A 49 34.868 -1.749 14.985 1.00 43.12 H new ATOM 0 HD22 LEU A 49 34.765 -1.855 16.759 1.00 43.12 H new ATOM 0 HD23 LEU A 49 36.351 -1.918 15.954 1.00 43.12 H new ATOM 691 N LYS A 50 35.234 -6.301 19.614 1.00 13.03 N ATOM 692 CA LYS A 50 34.881 -7.630 20.099 1.00 24.15 C ATOM 693 C LYS A 50 33.631 -7.577 20.971 1.00 33.21 C ATOM 694 O LYS A 50 32.690 -8.346 20.772 1.00 32.15 O ATOM 695 CB LYS A 50 36.044 -8.231 20.893 1.00 10.51 C ATOM 696 CG LYS A 50 37.331 -8.345 20.094 1.00 33.02 C ATOM 697 CD LYS A 50 37.200 -9.357 18.968 1.00 53.51 C ATOM 698 CE LYS A 50 37.238 -10.783 19.493 1.00 60.50 C ATOM 699 NZ LYS A 50 37.647 -11.752 18.438 1.00 3.23 N ATOM 0 H LYS A 50 36.088 -5.918 20.019 1.00 13.03 H new ATOM 0 HA LYS A 50 34.673 -8.261 19.235 1.00 24.15 H new ATOM 0 HB2 LYS A 50 36.227 -7.617 21.775 1.00 10.51 H new ATOM 0 HB3 LYS A 50 35.758 -9.221 21.248 1.00 10.51 H new ATOM 0 HG2 LYS A 50 37.591 -7.371 19.680 1.00 33.02 H new ATOM 0 HG3 LYS A 50 38.146 -8.639 20.755 1.00 33.02 H new ATOM 0 HD2 LYS A 50 36.265 -9.190 18.434 1.00 53.51 H new ATOM 0 HD3 LYS A 50 38.007 -9.211 18.250 1.00 53.51 H new ATOM 0 HE2 LYS A 50 37.933 -10.843 20.331 1.00 60.50 H new ATOM 0 HE3 LYS A 50 36.254 -11.056 19.875 1.00 60.50 H new ATOM 0 HZ1 LYS A 50 37.661 -12.713 18.836 1.00 3.23 H new ATOM 0 HZ2 LYS A 50 36.970 -11.713 17.650 1.00 3.23 H new ATOM 0 HZ3 LYS A 50 38.596 -11.507 18.091 1.00 3.23 H new ATOM 713 N LYS A 51 33.626 -6.664 21.936 1.00 21.35 N ATOM 714 CA LYS A 51 32.490 -6.508 22.837 1.00 22.43 C ATOM 715 C LYS A 51 31.305 -5.878 22.114 1.00 53.50 C ATOM 716 O LYS A 51 30.149 -6.120 22.466 1.00 43.33 O ATOM 717 CB LYS A 51 32.882 -5.649 24.042 1.00 62.43 C ATOM 718 CG LYS A 51 33.280 -6.460 25.263 1.00 1.11 C ATOM 719 CD LYS A 51 33.490 -5.571 26.478 1.00 71.43 C ATOM 720 CE LYS A 51 33.498 -6.381 27.766 1.00 42.35 C ATOM 721 NZ LYS A 51 32.944 -5.607 28.911 1.00 42.53 N ATOM 0 H LYS A 51 34.397 -6.020 22.115 1.00 21.35 H new ATOM 0 HA LYS A 51 32.196 -7.498 23.185 1.00 22.43 H new ATOM 0 HB2 LYS A 51 33.712 -5.000 23.761 1.00 62.43 H new ATOM 0 HB3 LYS A 51 32.045 -5.001 24.303 1.00 62.43 H new ATOM 0 HG2 LYS A 51 32.507 -7.197 25.479 1.00 1.11 H new ATOM 0 HG3 LYS A 51 34.196 -7.012 25.052 1.00 1.11 H new ATOM 0 HD2 LYS A 51 34.433 -5.034 26.379 1.00 71.43 H new ATOM 0 HD3 LYS A 51 32.700 -4.822 26.523 1.00 71.43 H new ATOM 0 HE2 LYS A 51 32.914 -7.291 27.626 1.00 42.35 H new ATOM 0 HE3 LYS A 51 34.518 -6.689 27.995 1.00 42.35 H new ATOM 0 HZ1 LYS A 51 32.967 -6.193 29.770 1.00 42.53 H new ATOM 0 HZ2 LYS A 51 33.516 -4.751 29.061 1.00 42.53 H new ATOM 0 HZ3 LYS A 51 31.962 -5.335 28.703 1.00 42.53 H new ATOM 735 N LEU A 52 31.598 -5.069 21.101 1.00 35.14 N ATOM 736 CA LEU A 52 30.555 -4.404 20.327 1.00 62.42 C ATOM 737 C LEU A 52 29.794 -5.407 19.465 1.00 2.11 C ATOM 738 O LEU A 52 28.565 -5.465 19.503 1.00 53.04 O ATOM 739 CB LEU A 52 31.165 -3.315 19.443 1.00 2.24 C ATOM 740 CG LEU A 52 30.979 -1.876 19.927 1.00 31.20 C ATOM 741 CD1 LEU A 52 31.873 -1.596 21.125 1.00 14.12 C ATOM 742 CD2 LEU A 52 31.269 -0.894 18.802 1.00 54.42 C ATOM 0 H LEU A 52 32.548 -4.858 20.797 1.00 35.14 H new ATOM 0 HA LEU A 52 29.854 -3.947 21.025 1.00 62.42 H new ATOM 0 HB2 LEU A 52 32.233 -3.509 19.346 1.00 2.24 H new ATOM 0 HB3 LEU A 52 30.734 -3.400 18.446 1.00 2.24 H new ATOM 0 HG LEU A 52 29.942 -1.748 20.236 1.00 31.20 H new ATOM 0 HD11 LEU A 52 31.727 -0.568 21.455 1.00 14.12 H new ATOM 0 HD12 LEU A 52 31.618 -2.278 21.937 1.00 14.12 H new ATOM 0 HD13 LEU A 52 32.916 -1.742 20.843 1.00 14.12 H new ATOM 0 HD21 LEU A 52 31.132 0.125 19.164 1.00 54.42 H new ATOM 0 HD22 LEU A 52 32.297 -1.023 18.462 1.00 54.42 H new ATOM 0 HD23 LEU A 52 30.587 -1.079 17.972 1.00 54.42 H new ATOM 754 N ILE A 53 30.533 -6.195 18.692 1.00 70.24 N ATOM 755 CA ILE A 53 29.928 -7.197 17.824 1.00 74.45 C ATOM 756 C ILE A 53 29.332 -8.342 18.637 1.00 45.12 C ATOM 757 O ILE A 53 28.334 -8.945 18.241 1.00 5.43 O ATOM 758 CB ILE A 53 30.951 -7.770 16.825 1.00 4.05 C ATOM 759 CG1 ILE A 53 32.025 -8.571 17.565 1.00 34.14 C ATOM 760 CG2 ILE A 53 31.584 -6.649 16.014 1.00 23.24 C ATOM 761 CD1 ILE A 53 31.722 -10.051 17.653 1.00 54.53 C ATOM 0 H ILE A 53 31.551 -6.159 18.649 1.00 70.24 H new ATOM 0 HA ILE A 53 29.134 -6.696 17.271 1.00 74.45 H new ATOM 0 HB ILE A 53 30.432 -8.440 16.140 1.00 4.05 H new ATOM 0 HG12 ILE A 53 32.981 -8.434 17.060 1.00 34.14 H new ATOM 0 HG13 ILE A 53 32.136 -8.170 18.573 1.00 34.14 H new ATOM 0 HG21 ILE A 53 32.305 -7.070 15.313 1.00 23.24 H new ATOM 0 HG22 ILE A 53 30.809 -6.117 15.463 1.00 23.24 H new ATOM 0 HG23 ILE A 53 32.092 -5.957 16.685 1.00 23.24 H new ATOM 0 HD11 ILE A 53 32.525 -10.556 18.190 1.00 54.53 H new ATOM 0 HD12 ILE A 53 30.782 -10.199 18.184 1.00 54.53 H new ATOM 0 HD13 ILE A 53 31.641 -10.466 16.648 1.00 54.53 H new ATOM 773 N ASP A 54 29.950 -8.635 19.776 1.00 45.24 N ATOM 774 CA ASP A 54 29.480 -9.705 20.647 1.00 24.32 C ATOM 775 C ASP A 54 28.145 -9.338 21.287 1.00 22.13 C ATOM 776 O ASP A 54 27.216 -10.146 21.319 1.00 10.40 O ATOM 777 CB ASP A 54 30.517 -10.000 21.733 1.00 74.11 C ATOM 778 CG ASP A 54 31.636 -10.894 21.237 1.00 44.30 C ATOM 779 OD1 ASP A 54 31.377 -11.730 20.347 1.00 23.42 O ATOM 780 OD2 ASP A 54 32.772 -10.757 21.739 1.00 12.13 O ATOM 0 H ASP A 54 30.778 -8.146 20.117 1.00 45.24 H new ATOM 0 HA ASP A 54 29.337 -10.599 20.039 1.00 24.32 H new ATOM 0 HB2 ASP A 54 30.938 -9.062 22.094 1.00 74.11 H new ATOM 0 HB3 ASP A 54 30.025 -10.475 22.582 1.00 74.11 H new ATOM 785 N THR A 55 28.056 -8.114 21.798 1.00 3.22 N ATOM 786 CA THR A 55 26.836 -7.640 22.440 1.00 64.14 C ATOM 787 C THR A 55 25.739 -7.385 21.413 1.00 32.20 C ATOM 788 O THR A 55 24.563 -7.644 21.670 1.00 12.32 O ATOM 789 CB THR A 55 27.087 -6.347 23.238 1.00 43.10 C ATOM 790 OG1 THR A 55 28.163 -6.543 24.162 1.00 2.34 O ATOM 791 CG2 THR A 55 25.835 -5.925 23.992 1.00 41.44 C ATOM 0 H THR A 55 28.815 -7.433 21.780 1.00 3.22 H new ATOM 0 HA THR A 55 26.514 -8.424 23.125 1.00 64.14 H new ATOM 0 HB THR A 55 27.352 -5.558 22.535 1.00 43.10 H new ATOM 0 HG1 THR A 55 29.008 -6.615 23.670 1.00 2.34 H new ATOM 0 HG21 THR A 55 26.036 -5.010 24.548 1.00 41.44 H new ATOM 0 HG22 THR A 55 25.026 -5.748 23.283 1.00 41.44 H new ATOM 0 HG23 THR A 55 25.544 -6.714 24.685 1.00 41.44 H new ATOM 799 N TYR A 56 26.130 -6.878 20.250 1.00 51.45 N ATOM 800 CA TYR A 56 25.178 -6.586 19.184 1.00 21.12 C ATOM 801 C TYR A 56 24.550 -7.869 18.649 1.00 71.23 C ATOM 802 O TYR A 56 23.336 -7.946 18.458 1.00 73.44 O ATOM 803 CB TYR A 56 25.868 -5.830 18.048 1.00 64.24 C ATOM 804 CG TYR A 56 24.909 -5.096 17.139 1.00 41.44 C ATOM 805 CD1 TYR A 56 23.978 -5.787 16.374 1.00 33.12 C ATOM 806 CD2 TYR A 56 24.934 -3.709 17.045 1.00 32.42 C ATOM 807 CE1 TYR A 56 23.100 -5.120 15.542 1.00 50.11 C ATOM 808 CE2 TYR A 56 24.059 -3.034 16.217 1.00 51.34 C ATOM 809 CZ TYR A 56 23.144 -3.743 15.467 1.00 63.33 C ATOM 810 OH TYR A 56 22.271 -3.075 14.640 1.00 53.12 O ATOM 0 H TYR A 56 27.100 -6.660 20.021 1.00 51.45 H new ATOM 0 HA TYR A 56 24.387 -5.961 19.599 1.00 21.12 H new ATOM 0 HB2 TYR A 56 26.572 -5.115 18.474 1.00 64.24 H new ATOM 0 HB3 TYR A 56 26.450 -6.535 17.455 1.00 64.24 H new ATOM 0 HD1 TYR A 56 23.940 -6.865 16.431 1.00 33.12 H new ATOM 0 HD2 TYR A 56 25.650 -3.150 17.629 1.00 32.42 H new ATOM 0 HE1 TYR A 56 22.383 -5.673 14.953 1.00 50.11 H new ATOM 0 HE2 TYR A 56 24.091 -1.956 16.157 1.00 51.34 H new ATOM 0 HH TYR A 56 22.367 -2.109 14.775 1.00 53.12 H new ATOM 820 N CYS A 57 25.385 -8.874 18.410 1.00 44.24 N ATOM 821 CA CYS A 57 24.914 -10.155 17.896 1.00 54.11 C ATOM 822 C CYS A 57 24.112 -10.903 18.956 1.00 74.45 C ATOM 823 O CYS A 57 23.077 -11.502 18.659 1.00 24.33 O ATOM 824 CB CYS A 57 26.095 -11.010 17.435 1.00 2.51 C ATOM 825 SG CYS A 57 26.806 -10.495 15.854 1.00 4.24 S ATOM 0 H CYS A 57 26.392 -8.826 18.564 1.00 44.24 H new ATOM 0 HA CYS A 57 24.263 -9.959 17.044 1.00 54.11 H new ATOM 0 HB2 CYS A 57 26.872 -10.979 18.198 1.00 2.51 H new ATOM 0 HB3 CYS A 57 25.769 -12.047 17.354 1.00 2.51 H new ATOM 0 HG CYS A 57 27.738 -9.613 16.064 1.00 4.24 H new ATOM 831 N LYS A 58 24.596 -10.867 20.192 1.00 0.32 N ATOM 832 CA LYS A 58 23.926 -11.541 21.297 1.00 33.44 C ATOM 833 C LYS A 58 22.593 -10.871 21.616 1.00 21.12 C ATOM 834 O LYS A 58 21.595 -11.543 21.876 1.00 74.03 O ATOM 835 CB LYS A 58 24.819 -11.540 22.540 1.00 63.52 C ATOM 836 CG LYS A 58 25.835 -12.669 22.559 1.00 24.21 C ATOM 837 CD LYS A 58 26.255 -13.018 23.977 1.00 10.43 C ATOM 838 CE LYS A 58 27.660 -13.599 24.016 1.00 1.40 C ATOM 839 NZ LYS A 58 27.672 -14.987 24.555 1.00 13.20 N ATOM 0 H LYS A 58 25.451 -10.377 20.454 1.00 0.32 H new ATOM 0 HA LYS A 58 23.733 -12.571 20.997 1.00 33.44 H new ATOM 0 HB2 LYS A 58 25.346 -10.587 22.598 1.00 63.52 H new ATOM 0 HB3 LYS A 58 24.191 -11.612 23.428 1.00 63.52 H new ATOM 0 HG2 LYS A 58 25.410 -13.550 22.077 1.00 24.21 H new ATOM 0 HG3 LYS A 58 26.712 -12.380 21.980 1.00 24.21 H new ATOM 0 HD2 LYS A 58 26.212 -12.125 24.600 1.00 10.43 H new ATOM 0 HD3 LYS A 58 25.552 -13.736 24.400 1.00 10.43 H new ATOM 0 HE2 LYS A 58 28.082 -13.596 23.011 1.00 1.40 H new ATOM 0 HE3 LYS A 58 28.298 -12.965 24.632 1.00 1.40 H new ATOM 0 HZ1 LYS A 58 28.648 -15.347 24.565 1.00 13.20 H new ATOM 0 HZ2 LYS A 58 27.293 -14.987 25.523 1.00 13.20 H new ATOM 0 HZ3 LYS A 58 27.084 -15.598 23.953 1.00 13.20 H new ATOM 853 N LYS A 59 22.584 -9.543 21.594 1.00 50.44 N ATOM 854 CA LYS A 59 21.374 -8.780 21.877 1.00 32.42 C ATOM 855 C LYS A 59 20.327 -8.998 20.790 1.00 54.54 C ATOM 856 O LYS A 59 19.156 -9.241 21.083 1.00 44.32 O ATOM 857 CB LYS A 59 21.701 -7.290 21.995 1.00 72.11 C ATOM 858 CG LYS A 59 22.309 -6.905 23.332 1.00 14.54 C ATOM 859 CD LYS A 59 21.349 -6.065 24.160 1.00 65.14 C ATOM 860 CE LYS A 59 21.420 -4.595 23.774 1.00 23.41 C ATOM 861 NZ LYS A 59 21.430 -3.708 24.970 1.00 22.21 N ATOM 0 H LYS A 59 23.402 -8.972 21.383 1.00 50.44 H new ATOM 0 HA LYS A 59 20.966 -9.131 22.825 1.00 32.42 H new ATOM 0 HB2 LYS A 59 22.392 -7.014 21.198 1.00 72.11 H new ATOM 0 HB3 LYS A 59 20.789 -6.713 21.840 1.00 72.11 H new ATOM 0 HG2 LYS A 59 22.575 -7.806 23.885 1.00 14.54 H new ATOM 0 HG3 LYS A 59 23.231 -6.348 23.167 1.00 14.54 H new ATOM 0 HD2 LYS A 59 20.331 -6.430 24.021 1.00 65.14 H new ATOM 0 HD3 LYS A 59 21.586 -6.176 25.218 1.00 65.14 H new ATOM 0 HE2 LYS A 59 22.318 -4.418 23.183 1.00 23.41 H new ATOM 0 HE3 LYS A 59 20.568 -4.344 23.142 1.00 23.41 H new ATOM 0 HZ1 LYS A 59 21.479 -2.715 24.665 1.00 22.21 H new ATOM 0 HZ2 LYS A 59 20.561 -3.859 25.521 1.00 22.21 H new ATOM 0 HZ3 LYS A 59 22.257 -3.930 25.560 1.00 22.21 H new ATOM 875 N GLN A 60 20.756 -8.909 19.535 1.00 60.31 N ATOM 876 CA GLN A 60 19.854 -9.097 18.404 1.00 24.24 C ATOM 877 C GLN A 60 19.272 -10.507 18.401 1.00 41.31 C ATOM 878 O GLN A 60 18.247 -10.764 17.771 1.00 63.30 O ATOM 879 CB GLN A 60 20.590 -8.833 17.089 1.00 34.03 C ATOM 880 CG GLN A 60 20.743 -7.356 16.764 1.00 53.01 C ATOM 881 CD GLN A 60 20.316 -7.023 15.348 1.00 63.12 C ATOM 882 OE1 GLN A 60 19.441 -6.184 15.132 1.00 63.14 O ATOM 883 NE2 GLN A 60 20.934 -7.680 14.373 1.00 20.43 N ATOM 0 H GLN A 60 21.722 -8.708 19.276 1.00 60.31 H new ATOM 0 HA GLN A 60 19.034 -8.386 18.502 1.00 24.24 H new ATOM 0 HB2 GLN A 60 21.578 -9.290 17.137 1.00 34.03 H new ATOM 0 HB3 GLN A 60 20.052 -9.322 16.277 1.00 34.03 H new ATOM 0 HG2 GLN A 60 20.149 -6.770 17.466 1.00 53.01 H new ATOM 0 HG3 GLN A 60 21.783 -7.063 16.904 1.00 53.01 H new ATOM 0 HE21 GLN A 60 21.654 -8.367 14.597 1.00 20.43 H new ATOM 0 HE22 GLN A 60 20.689 -7.497 13.400 1.00 20.43 H new ATOM 892 N GLY A 61 19.934 -11.417 19.109 1.00 33.12 N ATOM 893 CA GLY A 61 19.467 -12.790 19.174 1.00 50.42 C ATOM 894 C GLY A 61 19.934 -13.617 17.993 1.00 51.04 C ATOM 895 O GLY A 61 19.271 -14.577 17.598 1.00 23.02 O ATOM 0 H GLY A 61 20.785 -11.228 19.639 1.00 33.12 H new ATOM 0 HA2 GLY A 61 19.822 -13.248 20.097 1.00 50.42 H new ATOM 0 HA3 GLY A 61 18.378 -12.799 19.212 1.00 50.42 H new ATOM 899 N ILE A 62 21.076 -13.244 17.426 1.00 63.02 N ATOM 900 CA ILE A 62 21.630 -13.958 16.282 1.00 22.54 C ATOM 901 C ILE A 62 23.149 -14.054 16.377 1.00 41.32 C ATOM 902 O ILE A 62 23.823 -13.078 16.708 1.00 21.41 O ATOM 903 CB ILE A 62 21.251 -13.276 14.955 1.00 44.13 C ATOM 904 CG1 ILE A 62 21.753 -11.831 14.938 1.00 43.42 C ATOM 905 CG2 ILE A 62 19.745 -13.322 14.746 1.00 1.35 C ATOM 906 CD1 ILE A 62 23.109 -11.669 14.287 1.00 61.44 C ATOM 0 H ILE A 62 21.636 -12.451 17.740 1.00 63.02 H new ATOM 0 HA ILE A 62 21.204 -14.961 16.299 1.00 22.54 H new ATOM 0 HB ILE A 62 21.728 -13.816 14.137 1.00 44.13 H new ATOM 0 HG12 ILE A 62 21.029 -11.210 14.410 1.00 43.42 H new ATOM 0 HG13 ILE A 62 21.804 -11.461 15.962 1.00 43.42 H new ATOM 0 HG21 ILE A 62 19.493 -12.836 13.803 1.00 1.35 H new ATOM 0 HG22 ILE A 62 19.413 -14.360 14.719 1.00 1.35 H new ATOM 0 HG23 ILE A 62 19.248 -12.803 15.566 1.00 1.35 H new ATOM 0 HD11 ILE A 62 23.401 -10.619 14.311 1.00 61.44 H new ATOM 0 HD12 ILE A 62 23.846 -12.263 14.828 1.00 61.44 H new ATOM 0 HD13 ILE A 62 23.059 -12.008 13.252 1.00 61.44 H new ATOM 918 N SER A 63 23.682 -15.235 16.082 1.00 60.12 N ATOM 919 CA SER A 63 25.122 -15.459 16.135 1.00 10.02 C ATOM 920 C SER A 63 25.856 -14.501 15.202 1.00 13.40 C ATOM 921 O SER A 63 25.234 -13.774 14.426 1.00 30.33 O ATOM 922 CB SER A 63 25.449 -16.905 15.759 1.00 71.40 C ATOM 923 OG SER A 63 26.708 -17.296 16.280 1.00 55.21 O ATOM 0 H SER A 63 23.138 -16.052 15.804 1.00 60.12 H new ATOM 0 HA SER A 63 25.456 -15.272 17.156 1.00 10.02 H new ATOM 0 HB2 SER A 63 24.672 -17.568 16.141 1.00 71.40 H new ATOM 0 HB3 SER A 63 25.453 -17.010 14.674 1.00 71.40 H new ATOM 0 HG SER A 63 26.893 -18.225 16.027 1.00 55.21 H new ATOM 929 N ARG A 64 27.182 -14.505 15.284 1.00 42.24 N ATOM 930 CA ARG A 64 28.002 -13.635 14.448 1.00 32.51 C ATOM 931 C ARG A 64 28.285 -14.288 13.098 1.00 21.23 C ATOM 932 O ARG A 64 29.435 -14.377 12.670 1.00 52.33 O ATOM 933 CB ARG A 64 29.319 -13.307 15.154 1.00 34.33 C ATOM 934 CG ARG A 64 29.144 -12.896 16.607 1.00 44.50 C ATOM 935 CD ARG A 64 29.762 -13.914 17.553 1.00 44.45 C ATOM 936 NE ARG A 64 31.202 -14.050 17.346 1.00 54.24 N ATOM 937 CZ ARG A 64 31.967 -14.891 18.032 1.00 35.13 C ATOM 938 NH1 ARG A 64 31.432 -15.667 18.965 1.00 23.31 N ATOM 939 NH2 ARG A 64 33.269 -14.958 17.786 1.00 13.42 N ATOM 0 H ARG A 64 27.712 -15.100 15.920 1.00 42.24 H new ATOM 0 HA ARG A 64 27.450 -12.711 14.277 1.00 32.51 H new ATOM 0 HB2 ARG A 64 29.973 -14.178 15.108 1.00 34.33 H new ATOM 0 HB3 ARG A 64 29.820 -12.503 14.615 1.00 34.33 H new ATOM 0 HG2 ARG A 64 29.605 -11.921 16.768 1.00 44.50 H new ATOM 0 HG3 ARG A 64 28.083 -12.788 16.830 1.00 44.50 H new ATOM 0 HD2 ARG A 64 29.571 -13.614 18.583 1.00 44.45 H new ATOM 0 HD3 ARG A 64 29.282 -14.882 17.408 1.00 44.45 H new ATOM 0 HE ARG A 64 31.644 -13.467 16.635 1.00 54.24 H new ATOM 0 HH11 ARG A 64 30.431 -15.618 19.157 1.00 23.31 H new ATOM 0 HH12 ARG A 64 32.021 -16.312 19.491 1.00 23.31 H new ATOM 0 HH21 ARG A 64 33.684 -14.363 17.069 1.00 13.42 H new ATOM 0 HH22 ARG A 64 33.855 -15.605 18.314 1.00 13.42 H new ATOM 953 N ASN A 65 27.228 -14.744 12.434 1.00 62.22 N ATOM 954 CA ASN A 65 27.363 -15.390 11.133 1.00 3.12 C ATOM 955 C ASN A 65 26.371 -14.808 10.131 1.00 32.02 C ATOM 956 O ASN A 65 25.920 -15.497 9.216 1.00 25.41 O ATOM 957 CB ASN A 65 27.147 -16.899 11.265 1.00 51.13 C ATOM 958 CG ASN A 65 25.711 -17.250 11.603 1.00 11.32 C ATOM 959 OD1 ASN A 65 24.998 -16.462 12.225 1.00 53.23 O ATOM 960 ND2 ASN A 65 25.280 -18.438 11.195 1.00 42.41 N ATOM 0 H ASN A 65 26.269 -14.678 12.775 1.00 62.22 H new ATOM 0 HA ASN A 65 28.373 -15.205 10.766 1.00 3.12 H new ATOM 0 HB2 ASN A 65 27.427 -17.386 10.331 1.00 51.13 H new ATOM 0 HB3 ASN A 65 27.806 -17.291 12.040 1.00 51.13 H new ATOM 0 HD21 ASN A 65 24.323 -18.729 11.394 1.00 42.41 H new ATOM 0 HD22 ASN A 65 25.906 -19.059 10.682 1.00 42.41 H new ATOM 967 N SER A 66 26.035 -13.535 10.311 1.00 52.42 N ATOM 968 CA SER A 66 25.093 -12.860 9.425 1.00 63.23 C ATOM 969 C SER A 66 25.228 -11.345 9.541 1.00 42.13 C ATOM 970 O SER A 66 24.255 -10.609 9.376 1.00 42.14 O ATOM 971 CB SER A 66 23.660 -13.283 9.752 1.00 12.55 C ATOM 972 OG SER A 66 22.972 -13.699 8.586 1.00 75.11 O ATOM 0 H SER A 66 26.401 -12.950 11.062 1.00 52.42 H new ATOM 0 HA SER A 66 25.324 -13.150 8.400 1.00 63.23 H new ATOM 0 HB2 SER A 66 23.674 -14.095 10.479 1.00 12.55 H new ATOM 0 HB3 SER A 66 23.129 -12.451 10.214 1.00 12.55 H new ATOM 0 HG SER A 66 22.059 -13.966 8.822 1.00 75.11 H new ATOM 978 N VAL A 67 26.442 -10.885 9.826 1.00 24.31 N ATOM 979 CA VAL A 67 26.707 -9.458 9.963 1.00 31.15 C ATOM 980 C VAL A 67 28.167 -9.138 9.663 1.00 31.31 C ATOM 981 O VAL A 67 29.072 -9.622 10.344 1.00 54.30 O ATOM 982 CB VAL A 67 26.364 -8.957 11.379 1.00 32.51 C ATOM 983 CG1 VAL A 67 24.862 -8.770 11.530 1.00 51.31 C ATOM 984 CG2 VAL A 67 26.897 -9.921 12.428 1.00 31.34 C ATOM 0 H VAL A 67 27.258 -11.481 9.967 1.00 24.31 H new ATOM 0 HA VAL A 67 26.071 -8.948 9.240 1.00 31.15 H new ATOM 0 HB VAL A 67 26.843 -7.990 11.530 1.00 32.51 H new ATOM 0 HG11 VAL A 67 24.639 -8.416 12.536 1.00 51.31 H new ATOM 0 HG12 VAL A 67 24.511 -8.039 10.802 1.00 51.31 H new ATOM 0 HG13 VAL A 67 24.358 -9.721 11.360 1.00 51.31 H new ATOM 0 HG21 VAL A 67 26.646 -9.552 13.422 1.00 31.34 H new ATOM 0 HG22 VAL A 67 26.448 -10.903 12.281 1.00 31.34 H new ATOM 0 HG23 VAL A 67 27.980 -10.000 12.333 1.00 31.34 H new ATOM 994 N ARG A 68 28.389 -8.320 8.640 1.00 63.34 N ATOM 995 CA ARG A 68 29.740 -7.936 8.248 1.00 21.02 C ATOM 996 C ARG A 68 30.058 -6.518 8.713 1.00 41.21 C ATOM 997 O ARG A 68 29.503 -5.546 8.200 1.00 70.03 O ATOM 998 CB ARG A 68 29.902 -8.035 6.730 1.00 32.12 C ATOM 999 CG ARG A 68 31.350 -8.020 6.270 1.00 42.12 C ATOM 1000 CD ARG A 68 31.976 -9.403 6.353 1.00 32.42 C ATOM 1001 NE ARG A 68 33.159 -9.521 5.505 1.00 21.04 N ATOM 1002 CZ ARG A 68 34.082 -10.464 5.659 1.00 45.40 C ATOM 1003 NH1 ARG A 68 33.960 -11.366 6.623 1.00 55.04 N ATOM 1004 NH2 ARG A 68 35.131 -10.505 4.847 1.00 24.13 N ATOM 0 H ARG A 68 27.651 -7.910 8.067 1.00 63.34 H new ATOM 0 HA ARG A 68 30.439 -8.622 8.726 1.00 21.02 H new ATOM 0 HB2 ARG A 68 29.428 -8.953 6.382 1.00 32.12 H new ATOM 0 HB3 ARG A 68 29.372 -7.205 6.262 1.00 32.12 H new ATOM 0 HG2 ARG A 68 31.403 -7.657 5.244 1.00 42.12 H new ATOM 0 HG3 ARG A 68 31.921 -7.324 6.884 1.00 42.12 H new ATOM 0 HD2 ARG A 68 32.248 -9.616 7.387 1.00 32.42 H new ATOM 0 HD3 ARG A 68 31.241 -10.152 6.056 1.00 32.42 H new ATOM 0 HE ARG A 68 33.283 -8.843 4.754 1.00 21.04 H new ATOM 0 HH11 ARG A 68 33.155 -11.337 7.249 1.00 55.04 H new ATOM 0 HH12 ARG A 68 34.671 -12.089 6.738 1.00 55.04 H new ATOM 0 HH21 ARG A 68 35.229 -9.812 4.105 1.00 24.13 H new ATOM 0 HH22 ARG A 68 35.840 -11.229 4.965 1.00 24.13 H new ATOM 1018 N PHE A 69 30.954 -6.407 9.688 1.00 64.13 N ATOM 1019 CA PHE A 69 31.345 -5.108 10.223 1.00 63.20 C ATOM 1020 C PHE A 69 32.559 -4.557 9.481 1.00 64.11 C ATOM 1021 O PHE A 69 33.672 -5.067 9.622 1.00 11.55 O ATOM 1022 CB PHE A 69 31.655 -5.221 11.717 1.00 13.32 C ATOM 1023 CG PHE A 69 30.601 -5.957 12.494 1.00 72.22 C ATOM 1024 CD1 PHE A 69 30.607 -7.341 12.555 1.00 74.34 C ATOM 1025 CD2 PHE A 69 29.604 -5.265 13.163 1.00 70.14 C ATOM 1026 CE1 PHE A 69 29.639 -8.022 13.269 1.00 75.14 C ATOM 1027 CE2 PHE A 69 28.634 -5.940 13.878 1.00 34.45 C ATOM 1028 CZ PHE A 69 28.650 -7.321 13.931 1.00 41.55 C ATOM 0 H PHE A 69 31.423 -7.201 10.124 1.00 64.13 H new ATOM 0 HA PHE A 69 30.512 -4.419 10.082 1.00 63.20 H new ATOM 0 HB2 PHE A 69 32.611 -5.730 11.844 1.00 13.32 H new ATOM 0 HB3 PHE A 69 31.769 -4.220 12.133 1.00 13.32 H new ATOM 0 HD1 PHE A 69 31.377 -7.894 12.038 1.00 74.34 H new ATOM 0 HD2 PHE A 69 29.585 -4.186 13.125 1.00 70.14 H new ATOM 0 HE1 PHE A 69 29.656 -9.101 13.309 1.00 75.14 H new ATOM 0 HE2 PHE A 69 27.863 -5.389 14.396 1.00 34.45 H new ATOM 0 HZ PHE A 69 27.891 -7.850 14.488 1.00 41.55 H new ATOM 1038 N LEU A 70 32.338 -3.514 8.689 1.00 54.10 N ATOM 1039 CA LEU A 70 33.413 -2.893 7.923 1.00 15.40 C ATOM 1040 C LEU A 70 33.683 -1.475 8.416 1.00 40.42 C ATOM 1041 O LEU A 70 32.784 -0.797 8.914 1.00 53.03 O ATOM 1042 CB LEU A 70 33.057 -2.869 6.435 1.00 4.43 C ATOM 1043 CG LEU A 70 31.584 -2.635 6.101 1.00 52.03 C ATOM 1044 CD1 LEU A 70 31.183 -1.205 6.427 1.00 54.32 C ATOM 1045 CD2 LEU A 70 31.314 -2.946 4.636 1.00 52.23 C ATOM 0 H LEU A 70 31.424 -3.080 8.560 1.00 54.10 H new ATOM 0 HA LEU A 70 34.317 -3.486 8.065 1.00 15.40 H new ATOM 0 HB2 LEU A 70 33.646 -2.089 5.954 1.00 4.43 H new ATOM 0 HB3 LEU A 70 33.363 -3.818 5.993 1.00 4.43 H new ATOM 0 HG LEU A 70 30.981 -3.307 6.712 1.00 52.03 H new ATOM 0 HD11 LEU A 70 30.131 -1.057 6.183 1.00 54.32 H new ATOM 0 HD12 LEU A 70 31.339 -1.017 7.489 1.00 54.32 H new ATOM 0 HD13 LEU A 70 31.792 -0.514 5.843 1.00 54.32 H new ATOM 0 HD21 LEU A 70 30.260 -2.774 4.416 1.00 52.23 H new ATOM 0 HD22 LEU A 70 31.926 -2.299 4.008 1.00 52.23 H new ATOM 0 HD23 LEU A 70 31.562 -3.988 4.434 1.00 52.23 H new ATOM 1057 N PHE A 71 34.927 -1.031 8.272 1.00 64.02 N ATOM 1058 CA PHE A 71 35.316 0.307 8.701 1.00 5.20 C ATOM 1059 C PHE A 71 35.971 1.077 7.557 1.00 35.31 C ATOM 1060 O PHE A 71 37.103 0.789 7.169 1.00 72.14 O ATOM 1061 CB PHE A 71 36.276 0.226 9.890 1.00 21.40 C ATOM 1062 CG PHE A 71 37.014 1.507 10.154 1.00 61.13 C ATOM 1063 CD1 PHE A 71 36.349 2.722 10.132 1.00 41.13 C ATOM 1064 CD2 PHE A 71 38.373 1.496 10.423 1.00 23.02 C ATOM 1065 CE1 PHE A 71 37.025 3.903 10.374 1.00 2.13 C ATOM 1066 CE2 PHE A 71 39.055 2.674 10.667 1.00 75.51 C ATOM 1067 CZ PHE A 71 38.380 3.879 10.641 1.00 20.42 C ATOM 0 H PHE A 71 35.683 -1.579 7.861 1.00 64.02 H new ATOM 0 HA PHE A 71 34.415 0.839 9.005 1.00 5.20 H new ATOM 0 HB2 PHE A 71 35.714 -0.050 10.782 1.00 21.40 H new ATOM 0 HB3 PHE A 71 36.999 -0.570 9.709 1.00 21.40 H new ATOM 0 HD1 PHE A 71 35.290 2.747 9.923 1.00 41.13 H new ATOM 0 HD2 PHE A 71 38.906 0.557 10.442 1.00 23.02 H new ATOM 0 HE1 PHE A 71 36.494 4.843 10.354 1.00 2.13 H new ATOM 0 HE2 PHE A 71 40.114 2.652 10.878 1.00 75.51 H new ATOM 0 HZ PHE A 71 38.911 4.801 10.829 1.00 20.42 H new ATOM 1077 N ASP A 72 35.249 2.055 7.022 1.00 1.40 N ATOM 1078 CA ASP A 72 35.758 2.867 5.923 1.00 41.41 C ATOM 1079 C ASP A 72 36.106 1.997 4.720 1.00 60.43 C ATOM 1080 O ASP A 72 36.898 2.389 3.865 1.00 45.54 O ATOM 1081 CB ASP A 72 36.990 3.656 6.371 1.00 71.32 C ATOM 1082 CG ASP A 72 36.899 5.125 6.010 1.00 3.51 C ATOM 1083 OD1 ASP A 72 36.874 5.440 4.801 1.00 32.44 O ATOM 1084 OD2 ASP A 72 36.853 5.961 6.936 1.00 2.53 O ATOM 0 H ASP A 72 34.310 2.305 7.331 1.00 1.40 H new ATOM 0 HA ASP A 72 34.976 3.566 5.629 1.00 41.41 H new ATOM 0 HB2 ASP A 72 37.109 3.557 7.450 1.00 71.32 H new ATOM 0 HB3 ASP A 72 37.880 3.226 5.911 1.00 71.32 H new ATOM 1089 N GLY A 73 35.508 0.810 4.661 1.00 1.41 N ATOM 1090 CA GLY A 73 35.768 -0.098 3.560 1.00 64.12 C ATOM 1091 C GLY A 73 36.608 -1.289 3.977 1.00 74.51 C ATOM 1092 O GLY A 73 37.042 -2.078 3.137 1.00 42.14 O ATOM 0 H GLY A 73 34.848 0.462 5.357 1.00 1.41 H new ATOM 0 HA2 GLY A 73 34.821 -0.450 3.152 1.00 64.12 H new ATOM 0 HA3 GLY A 73 36.278 0.441 2.761 1.00 64.12 H new ATOM 1096 N THR A 74 36.839 -1.422 5.280 1.00 54.25 N ATOM 1097 CA THR A 74 37.634 -2.524 5.807 1.00 53.43 C ATOM 1098 C THR A 74 36.759 -3.526 6.551 1.00 70.13 C ATOM 1099 O THR A 74 36.574 -3.444 7.765 1.00 12.41 O ATOM 1100 CB THR A 74 38.736 -2.017 6.756 1.00 32.11 C ATOM 1101 OG1 THR A 74 38.147 -1.434 7.924 1.00 53.03 O ATOM 1102 CG2 THR A 74 39.619 -0.992 6.062 1.00 43.24 C ATOM 0 H THR A 74 36.486 -0.780 5.989 1.00 54.25 H new ATOM 0 HA THR A 74 38.099 -3.016 4.953 1.00 53.43 H new ATOM 0 HB THR A 74 39.353 -2.867 7.047 1.00 32.11 H new ATOM 0 HG1 THR A 74 37.733 -0.577 7.689 1.00 53.03 H new ATOM 0 HG21 THR A 74 40.390 -0.649 6.752 1.00 43.24 H new ATOM 0 HG22 THR A 74 40.089 -1.447 5.190 1.00 43.24 H new ATOM 0 HG23 THR A 74 39.012 -0.144 5.745 1.00 43.24 H new ATOM 1110 N PRO A 75 36.208 -4.497 5.808 1.00 74.31 N ATOM 1111 CA PRO A 75 35.344 -5.536 6.377 1.00 12.25 C ATOM 1112 C PRO A 75 36.115 -6.513 7.258 1.00 2.43 C ATOM 1113 O PRO A 75 36.725 -7.461 6.763 1.00 51.11 O ATOM 1114 CB PRO A 75 34.789 -6.252 5.144 1.00 50.25 C ATOM 1115 CG PRO A 75 35.806 -6.017 4.080 1.00 14.22 C ATOM 1116 CD PRO A 75 36.385 -4.657 4.355 1.00 43.22 C ATOM 0 HA PRO A 75 34.575 -5.116 7.025 1.00 12.25 H new ATOM 0 HB2 PRO A 75 34.652 -7.317 5.333 1.00 50.25 H new ATOM 0 HB3 PRO A 75 33.817 -5.851 4.858 1.00 50.25 H new ATOM 0 HG2 PRO A 75 36.581 -6.783 4.104 1.00 14.22 H new ATOM 0 HG3 PRO A 75 35.351 -6.055 3.090 1.00 14.22 H new ATOM 0 HD2 PRO A 75 37.436 -4.603 4.070 1.00 43.22 H new ATOM 0 HD3 PRO A 75 35.863 -3.878 3.799 1.00 43.22 H new ATOM 1124 N ILE A 76 36.084 -6.275 8.565 1.00 31.32 N ATOM 1125 CA ILE A 76 36.779 -7.136 9.514 1.00 1.23 C ATOM 1126 C ILE A 76 36.067 -7.155 10.863 1.00 62.14 C ATOM 1127 O ILE A 76 35.509 -6.147 11.296 1.00 73.02 O ATOM 1128 CB ILE A 76 38.236 -6.683 9.722 1.00 3.43 C ATOM 1129 CG1 ILE A 76 38.986 -6.674 8.388 1.00 30.05 C ATOM 1130 CG2 ILE A 76 38.935 -7.590 10.723 1.00 25.22 C ATOM 1131 CD1 ILE A 76 40.436 -6.262 8.513 1.00 50.40 C ATOM 0 H ILE A 76 35.585 -5.494 8.991 1.00 31.32 H new ATOM 0 HA ILE A 76 36.776 -8.140 9.090 1.00 1.23 H new ATOM 0 HB ILE A 76 38.232 -5.669 10.122 1.00 3.43 H new ATOM 0 HG12 ILE A 76 38.936 -7.669 7.946 1.00 30.05 H new ATOM 0 HG13 ILE A 76 38.481 -5.994 7.701 1.00 30.05 H new ATOM 0 HG21 ILE A 76 39.964 -7.257 10.859 1.00 25.22 H new ATOM 0 HG22 ILE A 76 38.411 -7.550 11.678 1.00 25.22 H new ATOM 0 HG23 ILE A 76 38.932 -8.614 10.350 1.00 25.22 H new ATOM 0 HD11 ILE A 76 40.905 -6.278 7.529 1.00 50.40 H new ATOM 0 HD12 ILE A 76 40.494 -5.255 8.926 1.00 50.40 H new ATOM 0 HD13 ILE A 76 40.956 -6.956 9.174 1.00 50.40 H new ATOM 1143 N ASP A 77 36.093 -8.308 11.522 1.00 13.23 N ATOM 1144 CA ASP A 77 35.452 -8.458 12.824 1.00 62.32 C ATOM 1145 C ASP A 77 36.488 -8.728 13.911 1.00 34.30 C ATOM 1146 O ASP A 77 36.818 -9.879 14.194 1.00 61.30 O ATOM 1147 CB ASP A 77 34.428 -9.594 12.784 1.00 44.11 C ATOM 1148 CG ASP A 77 33.550 -9.539 11.549 1.00 4.22 C ATOM 1149 OD1 ASP A 77 33.386 -8.436 10.987 1.00 4.02 O ATOM 1150 OD2 ASP A 77 33.027 -10.598 11.145 1.00 35.34 O ATOM 0 H ASP A 77 36.550 -9.152 11.177 1.00 13.23 H new ATOM 0 HA ASP A 77 34.939 -7.525 13.059 1.00 62.32 H new ATOM 0 HB2 ASP A 77 34.950 -10.551 12.813 1.00 44.11 H new ATOM 0 HB3 ASP A 77 33.801 -9.546 13.674 1.00 44.11 H new ATOM 1155 N GLU A 78 36.996 -7.659 14.516 1.00 61.04 N ATOM 1156 CA GLU A 78 37.996 -7.782 15.570 1.00 15.33 C ATOM 1157 C GLU A 78 38.376 -6.411 16.121 1.00 2.43 C ATOM 1158 O GLU A 78 38.061 -5.379 15.526 1.00 20.52 O ATOM 1159 CB GLU A 78 39.242 -8.495 15.042 1.00 72.11 C ATOM 1160 CG GLU A 78 39.380 -9.925 15.537 1.00 63.14 C ATOM 1161 CD GLU A 78 40.501 -10.088 16.545 1.00 43.43 C ATOM 1162 OE1 GLU A 78 40.436 -9.443 17.612 1.00 3.24 O ATOM 1163 OE2 GLU A 78 41.443 -10.859 16.266 1.00 1.24 O ATOM 0 H GLU A 78 36.732 -6.699 14.295 1.00 61.04 H new ATOM 0 HA GLU A 78 37.564 -8.373 16.378 1.00 15.33 H new ATOM 0 HB2 GLU A 78 39.215 -8.498 13.952 1.00 72.11 H new ATOM 0 HB3 GLU A 78 40.126 -7.930 15.337 1.00 72.11 H new ATOM 0 HG2 GLU A 78 38.440 -10.241 15.990 1.00 63.14 H new ATOM 0 HG3 GLU A 78 39.562 -10.584 14.688 1.00 63.14 H new ATOM 1170 N THR A 79 39.056 -6.406 17.264 1.00 61.32 N ATOM 1171 CA THR A 79 39.479 -5.164 17.897 1.00 14.51 C ATOM 1172 C THR A 79 40.993 -5.003 17.836 1.00 3.34 C ATOM 1173 O THR A 79 41.609 -4.466 18.758 1.00 32.40 O ATOM 1174 CB THR A 79 39.026 -5.100 19.368 1.00 74.30 C ATOM 1175 OG1 THR A 79 39.257 -3.789 19.896 1.00 61.51 O ATOM 1176 CG2 THR A 79 39.768 -6.129 20.208 1.00 72.05 C ATOM 0 H THR A 79 39.325 -7.250 17.770 1.00 61.32 H new ATOM 0 HA THR A 79 39.008 -4.352 17.344 1.00 14.51 H new ATOM 0 HB THR A 79 37.960 -5.323 19.407 1.00 74.30 H new ATOM 0 HG1 THR A 79 40.221 -3.629 19.964 1.00 61.51 H new ATOM 0 HG21 THR A 79 39.431 -6.065 21.243 1.00 72.05 H new ATOM 0 HG22 THR A 79 39.566 -7.128 19.822 1.00 72.05 H new ATOM 0 HG23 THR A 79 40.839 -5.932 20.162 1.00 72.05 H new ATOM 1184 N LYS A 80 41.590 -5.470 16.745 1.00 51.01 N ATOM 1185 CA LYS A 80 43.033 -5.377 16.562 1.00 44.40 C ATOM 1186 C LYS A 80 43.375 -4.958 15.136 1.00 41.34 C ATOM 1187 O LYS A 80 44.283 -4.156 14.913 1.00 22.20 O ATOM 1188 CB LYS A 80 43.697 -6.718 16.884 1.00 52.42 C ATOM 1189 CG LYS A 80 44.798 -6.617 17.925 1.00 32.12 C ATOM 1190 CD LYS A 80 44.236 -6.303 19.302 1.00 44.43 C ATOM 1191 CE LYS A 80 44.416 -7.472 20.257 1.00 30.15 C ATOM 1192 NZ LYS A 80 43.791 -8.718 19.733 1.00 11.12 N ATOM 0 H LYS A 80 41.096 -5.917 15.973 1.00 51.01 H new ATOM 0 HA LYS A 80 43.412 -4.618 17.246 1.00 44.40 H new ATOM 0 HB2 LYS A 80 42.937 -7.415 17.238 1.00 52.42 H new ATOM 0 HB3 LYS A 80 44.112 -7.138 15.968 1.00 52.42 H new ATOM 0 HG2 LYS A 80 45.352 -7.555 17.962 1.00 32.12 H new ATOM 0 HG3 LYS A 80 45.505 -5.840 17.634 1.00 32.12 H new ATOM 0 HD2 LYS A 80 44.733 -5.421 19.707 1.00 44.43 H new ATOM 0 HD3 LYS A 80 43.177 -6.061 19.217 1.00 44.43 H new ATOM 0 HE2 LYS A 80 45.479 -7.642 20.426 1.00 30.15 H new ATOM 0 HE3 LYS A 80 43.976 -7.223 21.223 1.00 30.15 H new ATOM 0 HZ1 LYS A 80 43.599 -9.368 20.522 1.00 11.12 H new ATOM 0 HZ2 LYS A 80 42.899 -8.483 19.253 1.00 11.12 H new ATOM 0 HZ3 LYS A 80 44.438 -9.174 19.058 1.00 11.12 H new ATOM 1206 N THR A 81 42.641 -5.504 14.171 1.00 11.22 N ATOM 1207 CA THR A 81 42.866 -5.187 12.767 1.00 51.44 C ATOM 1208 C THR A 81 42.458 -3.751 12.455 1.00 61.31 C ATOM 1209 O THR A 81 43.259 -2.940 11.989 1.00 33.21 O ATOM 1210 CB THR A 81 42.087 -6.142 11.843 1.00 14.21 C ATOM 1211 OG1 THR A 81 41.420 -7.141 12.622 1.00 33.13 O ATOM 1212 CG2 THR A 81 43.019 -6.809 10.844 1.00 63.41 C ATOM 0 H THR A 81 41.885 -6.168 14.337 1.00 11.22 H new ATOM 0 HA THR A 81 43.934 -5.307 12.584 1.00 51.44 H new ATOM 0 HB THR A 81 41.349 -5.558 11.293 1.00 14.21 H new ATOM 0 HG1 THR A 81 41.441 -7.996 12.144 1.00 33.13 H new ATOM 0 HG21 THR A 81 42.446 -7.479 10.203 1.00 63.41 H new ATOM 0 HG22 THR A 81 43.503 -6.047 10.233 1.00 63.41 H new ATOM 0 HG23 THR A 81 43.777 -7.380 11.379 1.00 63.41 H new ATOM 1220 N PRO A 82 41.183 -3.427 12.718 1.00 63.14 N ATOM 1221 CA PRO A 82 40.641 -2.087 12.474 1.00 72.33 C ATOM 1222 C PRO A 82 41.206 -1.049 13.437 1.00 50.13 C ATOM 1223 O PRO A 82 41.303 0.131 13.103 1.00 45.41 O ATOM 1224 CB PRO A 82 39.138 -2.266 12.702 1.00 32.30 C ATOM 1225 CG PRO A 82 39.031 -3.431 13.624 1.00 32.24 C ATOM 1226 CD PRO A 82 40.174 -4.344 13.274 1.00 54.54 C ATOM 0 HA PRO A 82 40.895 -1.719 11.480 1.00 72.33 H new ATOM 0 HB2 PRO A 82 38.695 -1.372 13.141 1.00 32.30 H new ATOM 0 HB3 PRO A 82 38.615 -2.454 11.764 1.00 32.30 H new ATOM 0 HG2 PRO A 82 39.091 -3.112 14.664 1.00 32.24 H new ATOM 0 HG3 PRO A 82 38.074 -3.939 13.501 1.00 32.24 H new ATOM 0 HD2 PRO A 82 40.550 -4.872 14.150 1.00 54.54 H new ATOM 0 HD3 PRO A 82 39.876 -5.102 12.549 1.00 54.54 H new ATOM 1234 N GLU A 83 41.577 -1.497 14.632 1.00 1.10 N ATOM 1235 CA GLU A 83 42.132 -0.605 15.643 1.00 43.31 C ATOM 1236 C GLU A 83 43.572 -0.228 15.305 1.00 71.05 C ATOM 1237 O GLU A 83 43.990 0.911 15.509 1.00 23.25 O ATOM 1238 CB GLU A 83 42.077 -1.264 17.023 1.00 51.33 C ATOM 1239 CG GLU A 83 43.296 -2.112 17.341 1.00 22.34 C ATOM 1240 CD GLU A 83 44.473 -1.286 17.822 1.00 40.51 C ATOM 1241 OE1 GLU A 83 44.257 -0.119 18.212 1.00 5.15 O ATOM 1242 OE2 GLU A 83 45.609 -1.804 17.807 1.00 33.33 O ATOM 0 H GLU A 83 41.503 -2.472 14.924 1.00 1.10 H new ATOM 0 HA GLU A 83 41.530 0.304 15.658 1.00 43.31 H new ATOM 0 HB2 GLU A 83 41.976 -0.489 17.783 1.00 51.33 H new ATOM 0 HB3 GLU A 83 41.185 -1.888 17.083 1.00 51.33 H new ATOM 0 HG2 GLU A 83 43.035 -2.844 18.105 1.00 22.34 H new ATOM 0 HG3 GLU A 83 43.588 -2.670 16.451 1.00 22.34 H new ATOM 1249 N GLU A 84 44.324 -1.194 14.786 1.00 51.10 N ATOM 1250 CA GLU A 84 45.717 -0.964 14.421 1.00 53.12 C ATOM 1251 C GLU A 84 45.816 -0.259 13.071 1.00 70.21 C ATOM 1252 O GLU A 84 46.799 0.425 12.786 1.00 45.51 O ATOM 1253 CB GLU A 84 46.480 -2.289 14.374 1.00 64.00 C ATOM 1254 CG GLU A 84 46.259 -3.074 13.092 1.00 22.10 C ATOM 1255 CD GLU A 84 47.054 -4.365 13.054 1.00 50.11 C ATOM 1256 OE1 GLU A 84 48.104 -4.434 13.726 1.00 24.10 O ATOM 1257 OE2 GLU A 84 46.626 -5.305 12.353 1.00 62.24 O ATOM 0 H GLU A 84 43.992 -2.142 14.609 1.00 51.10 H new ATOM 0 HA GLU A 84 46.164 -0.322 15.180 1.00 53.12 H new ATOM 0 HB2 GLU A 84 47.545 -2.089 14.489 1.00 64.00 H new ATOM 0 HB3 GLU A 84 46.178 -2.903 15.223 1.00 64.00 H new ATOM 0 HG2 GLU A 84 45.198 -3.302 12.988 1.00 22.10 H new ATOM 0 HG3 GLU A 84 46.537 -2.455 12.239 1.00 22.10 H new ATOM 1264 N LEU A 85 44.791 -0.432 12.243 1.00 24.23 N ATOM 1265 CA LEU A 85 44.762 0.186 10.922 1.00 11.24 C ATOM 1266 C LEU A 85 44.260 1.624 11.005 1.00 3.34 C ATOM 1267 O LEU A 85 44.695 2.489 10.246 1.00 4.24 O ATOM 1268 CB LEU A 85 43.871 -0.623 9.978 1.00 31.04 C ATOM 1269 CG LEU A 85 43.972 -0.271 8.494 1.00 72.12 C ATOM 1270 CD1 LEU A 85 44.292 -1.510 7.672 1.00 31.21 C ATOM 1271 CD2 LEU A 85 42.681 0.373 8.010 1.00 41.45 C ATOM 0 H LEU A 85 43.969 -0.995 12.463 1.00 24.23 H new ATOM 0 HA LEU A 85 45.779 0.197 10.531 1.00 11.24 H new ATOM 0 HB2 LEU A 85 44.113 -1.679 10.098 1.00 31.04 H new ATOM 0 HB3 LEU A 85 42.835 -0.496 10.291 1.00 31.04 H new ATOM 0 HG LEU A 85 44.783 0.445 8.365 1.00 72.12 H new ATOM 0 HD11 LEU A 85 44.360 -1.240 6.618 1.00 31.21 H new ATOM 0 HD12 LEU A 85 45.243 -1.929 8.001 1.00 31.21 H new ATOM 0 HD13 LEU A 85 43.503 -2.250 7.807 1.00 31.21 H new ATOM 0 HD21 LEU A 85 42.771 0.617 6.951 1.00 41.45 H new ATOM 0 HD22 LEU A 85 41.852 -0.320 8.154 1.00 41.45 H new ATOM 0 HD23 LEU A 85 42.494 1.284 8.578 1.00 41.45 H new ATOM 1283 N GLY A 86 43.343 1.873 11.935 1.00 13.01 N ATOM 1284 CA GLY A 86 42.799 3.208 12.102 1.00 74.00 C ATOM 1285 C GLY A 86 43.666 4.081 12.986 1.00 2.44 C ATOM 1286 O GLY A 86 43.996 5.210 12.623 1.00 14.14 O ATOM 0 H GLY A 86 42.967 1.174 12.576 1.00 13.01 H new ATOM 0 HA2 GLY A 86 42.693 3.678 11.125 1.00 74.00 H new ATOM 0 HA3 GLY A 86 41.800 3.139 12.533 1.00 74.00 H new ATOM 1290 N MET A 87 44.036 3.559 14.151 1.00 32.02 N ATOM 1291 CA MET A 87 44.870 4.300 15.090 1.00 21.21 C ATOM 1292 C MET A 87 44.183 5.590 15.527 1.00 30.44 C ATOM 1293 O MET A 87 44.784 6.663 15.501 1.00 61.14 O ATOM 1294 CB MET A 87 46.226 4.620 14.458 1.00 21.31 C ATOM 1295 CG MET A 87 46.971 3.390 13.963 1.00 1.55 C ATOM 1296 SD MET A 87 48.585 3.196 14.743 1.00 21.14 S ATOM 1297 CE MET A 87 49.604 4.203 13.669 1.00 42.04 C ATOM 0 H MET A 87 43.771 2.626 14.467 1.00 32.02 H new ATOM 0 HA MET A 87 45.025 3.676 15.970 1.00 21.21 H new ATOM 0 HB2 MET A 87 46.076 5.304 13.623 1.00 21.31 H new ATOM 0 HB3 MET A 87 46.845 5.140 15.189 1.00 21.31 H new ATOM 0 HG2 MET A 87 46.369 2.502 14.157 1.00 1.55 H new ATOM 0 HG3 MET A 87 47.099 3.458 12.883 1.00 1.55 H new ATOM 0 HE1 MET A 87 50.390 4.680 14.255 1.00 42.04 H new ATOM 0 HE2 MET A 87 50.055 3.575 12.901 1.00 42.04 H new ATOM 0 HE3 MET A 87 48.989 4.968 13.196 1.00 42.04 H new ATOM 1307 N GLU A 88 42.921 5.476 15.929 1.00 32.21 N ATOM 1308 CA GLU A 88 42.153 6.634 16.371 1.00 41.13 C ATOM 1309 C GLU A 88 41.036 6.216 17.323 1.00 61.24 C ATOM 1310 O GLU A 88 40.700 5.036 17.422 1.00 71.44 O ATOM 1311 CB GLU A 88 41.563 7.372 15.167 1.00 32.40 C ATOM 1312 CG GLU A 88 41.406 8.867 15.386 1.00 32.15 C ATOM 1313 CD GLU A 88 41.313 9.641 14.086 1.00 60.12 C ATOM 1314 OE1 GLU A 88 40.908 9.044 13.067 1.00 61.52 O ATOM 1315 OE2 GLU A 88 41.645 10.845 14.088 1.00 64.24 O ATOM 0 H GLU A 88 42.409 4.594 15.958 1.00 32.21 H new ATOM 0 HA GLU A 88 42.828 7.304 16.904 1.00 41.13 H new ATOM 0 HB2 GLU A 88 42.203 7.206 14.300 1.00 32.40 H new ATOM 0 HB3 GLU A 88 40.589 6.944 14.931 1.00 32.40 H new ATOM 0 HG2 GLU A 88 40.510 9.051 15.979 1.00 32.15 H new ATOM 0 HG3 GLU A 88 42.253 9.236 15.965 1.00 32.15 H new ATOM 1322 N ASP A 89 40.466 7.191 18.021 1.00 52.42 N ATOM 1323 CA ASP A 89 39.386 6.926 18.965 1.00 64.12 C ATOM 1324 C ASP A 89 38.026 7.078 18.291 1.00 30.34 C ATOM 1325 O ASP A 89 36.998 7.174 18.962 1.00 72.24 O ATOM 1326 CB ASP A 89 39.484 7.871 20.163 1.00 23.03 C ATOM 1327 CG ASP A 89 39.715 9.311 19.748 1.00 33.31 C ATOM 1328 OD1 ASP A 89 38.830 9.884 19.078 1.00 43.03 O ATOM 1329 OD2 ASP A 89 40.779 9.865 20.094 1.00 32.52 O ATOM 0 H ASP A 89 40.733 8.173 17.951 1.00 52.42 H new ATOM 0 HA ASP A 89 39.485 5.898 19.314 1.00 64.12 H new ATOM 0 HB2 ASP A 89 38.567 7.807 20.748 1.00 23.03 H new ATOM 0 HB3 ASP A 89 40.298 7.548 20.811 1.00 23.03 H new ATOM 1334 N ASP A 90 38.028 7.100 16.963 1.00 24.42 N ATOM 1335 CA ASP A 90 36.795 7.240 16.199 1.00 75.24 C ATOM 1336 C ASP A 90 36.586 6.040 15.279 1.00 15.44 C ATOM 1337 O ASP A 90 36.199 6.194 14.121 1.00 61.34 O ATOM 1338 CB ASP A 90 36.823 8.529 15.377 1.00 54.35 C ATOM 1339 CG ASP A 90 36.513 9.756 16.212 1.00 33.43 C ATOM 1340 OD1 ASP A 90 35.913 9.598 17.296 1.00 4.23 O ATOM 1341 OD2 ASP A 90 36.869 10.873 15.782 1.00 74.10 O ATOM 0 H ASP A 90 38.870 7.023 16.393 1.00 24.42 H new ATOM 0 HA ASP A 90 35.964 7.285 16.903 1.00 75.24 H new ATOM 0 HB2 ASP A 90 37.806 8.643 14.920 1.00 54.35 H new ATOM 0 HB3 ASP A 90 36.100 8.454 14.565 1.00 54.35 H new ATOM 1346 N ASP A 91 36.844 4.848 15.804 1.00 64.33 N ATOM 1347 CA ASP A 91 36.685 3.622 15.031 1.00 72.45 C ATOM 1348 C ASP A 91 35.209 3.311 14.803 1.00 73.01 C ATOM 1349 O ASP A 91 34.479 2.990 15.741 1.00 21.11 O ATOM 1350 CB ASP A 91 37.361 2.451 15.746 1.00 73.33 C ATOM 1351 CG ASP A 91 37.167 1.136 15.015 1.00 10.43 C ATOM 1352 OD1 ASP A 91 36.020 0.645 14.973 1.00 11.02 O ATOM 1353 OD2 ASP A 91 38.163 0.599 14.486 1.00 34.34 O ATOM 0 H ASP A 91 37.164 4.704 16.762 1.00 64.33 H new ATOM 0 HA ASP A 91 37.161 3.769 14.062 1.00 72.45 H new ATOM 0 HB2 ASP A 91 38.427 2.655 15.843 1.00 73.33 H new ATOM 0 HB3 ASP A 91 36.959 2.365 16.756 1.00 73.33 H new ATOM 1358 N VAL A 92 34.775 3.410 13.550 1.00 34.13 N ATOM 1359 CA VAL A 92 33.386 3.140 13.199 1.00 74.30 C ATOM 1360 C VAL A 92 33.258 1.828 12.433 1.00 71.04 C ATOM 1361 O VAL A 92 34.107 1.496 11.604 1.00 15.24 O ATOM 1362 CB VAL A 92 32.790 4.278 12.349 1.00 31.05 C ATOM 1363 CG1 VAL A 92 33.119 5.631 12.962 1.00 24.44 C ATOM 1364 CG2 VAL A 92 33.296 4.195 10.917 1.00 24.35 C ATOM 0 H VAL A 92 35.365 3.675 12.762 1.00 34.13 H new ATOM 0 HA VAL A 92 32.832 3.067 14.135 1.00 74.30 H new ATOM 0 HB VAL A 92 31.706 4.167 12.334 1.00 31.05 H new ATOM 0 HG11 VAL A 92 32.690 6.423 12.348 1.00 24.44 H new ATOM 0 HG12 VAL A 92 32.702 5.686 13.968 1.00 24.44 H new ATOM 0 HG13 VAL A 92 34.201 5.755 13.010 1.00 24.44 H new ATOM 0 HG21 VAL A 92 32.865 5.007 10.331 1.00 24.35 H new ATOM 0 HG22 VAL A 92 34.383 4.280 10.910 1.00 24.35 H new ATOM 0 HG23 VAL A 92 33.004 3.239 10.483 1.00 24.35 H new ATOM 1374 N ILE A 93 32.192 1.086 12.714 1.00 0.21 N ATOM 1375 CA ILE A 93 31.952 -0.189 12.050 1.00 44.12 C ATOM 1376 C ILE A 93 30.485 -0.341 11.664 1.00 11.41 C ATOM 1377 O ILE A 93 29.602 -0.317 12.521 1.00 35.43 O ATOM 1378 CB ILE A 93 32.362 -1.375 12.943 1.00 11.20 C ATOM 1379 CG1 ILE A 93 31.713 -1.250 14.323 1.00 1.11 C ATOM 1380 CG2 ILE A 93 33.877 -1.445 13.068 1.00 35.32 C ATOM 1381 CD1 ILE A 93 30.891 -2.457 14.716 1.00 72.44 C ATOM 0 H ILE A 93 31.481 1.346 13.397 1.00 0.21 H new ATOM 0 HA ILE A 93 32.565 -0.195 11.148 1.00 44.12 H new ATOM 0 HB ILE A 93 32.012 -2.298 12.480 1.00 11.20 H new ATOM 0 HG12 ILE A 93 32.492 -1.093 15.069 1.00 1.11 H new ATOM 0 HG13 ILE A 93 31.075 -0.366 14.337 1.00 1.11 H new ATOM 0 HG21 ILE A 93 34.151 -2.288 13.702 1.00 35.32 H new ATOM 0 HG22 ILE A 93 34.318 -1.576 12.080 1.00 35.32 H new ATOM 0 HG23 ILE A 93 34.249 -0.521 13.512 1.00 35.32 H new ATOM 0 HD11 ILE A 93 30.461 -2.298 15.705 1.00 72.44 H new ATOM 0 HD12 ILE A 93 30.090 -2.603 13.992 1.00 72.44 H new ATOM 0 HD13 ILE A 93 31.529 -3.341 14.735 1.00 72.44 H new ATOM 1393 N ASP A 94 30.232 -0.497 10.369 1.00 25.43 N ATOM 1394 CA ASP A 94 28.872 -0.656 9.869 1.00 32.23 C ATOM 1395 C ASP A 94 28.580 -2.117 9.542 1.00 21.54 C ATOM 1396 O ASP A 94 29.264 -2.729 8.722 1.00 41.40 O ATOM 1397 CB ASP A 94 28.658 0.210 8.627 1.00 72.20 C ATOM 1398 CG ASP A 94 27.205 0.255 8.196 1.00 0.31 C ATOM 1399 OD1 ASP A 94 26.621 -0.824 7.961 1.00 44.30 O ATOM 1400 OD2 ASP A 94 26.651 1.370 8.095 1.00 63.20 O ATOM 0 H ASP A 94 30.952 -0.517 9.646 1.00 25.43 H new ATOM 0 HA ASP A 94 28.184 -0.333 10.651 1.00 32.23 H new ATOM 0 HB2 ASP A 94 29.005 1.223 8.830 1.00 72.20 H new ATOM 0 HB3 ASP A 94 29.265 -0.177 7.809 1.00 72.20 H new ATOM 1405 N ALA A 95 27.561 -2.672 10.191 1.00 52.54 N ATOM 1406 CA ALA A 95 27.178 -4.060 9.968 1.00 22.32 C ATOM 1407 C ALA A 95 26.205 -4.181 8.800 1.00 21.33 C ATOM 1408 O ALA A 95 25.081 -3.684 8.863 1.00 43.53 O ATOM 1409 CB ALA A 95 26.566 -4.648 11.231 1.00 12.20 C ATOM 0 H ALA A 95 26.986 -2.181 10.876 1.00 52.54 H new ATOM 0 HA ALA A 95 28.077 -4.623 9.717 1.00 22.32 H new ATOM 0 HB1 ALA A 95 26.284 -5.685 11.050 1.00 12.20 H new ATOM 0 HB2 ALA A 95 27.293 -4.606 12.042 1.00 12.20 H new ATOM 0 HB3 ALA A 95 25.681 -4.075 11.507 1.00 12.20 H new ATOM 1415 N MET A 96 26.645 -4.845 7.736 1.00 13.11 N ATOM 1416 CA MET A 96 25.811 -5.031 6.554 1.00 22.11 C ATOM 1417 C MET A 96 25.520 -6.510 6.321 1.00 24.45 C ATOM 1418 O MET A 96 26.292 -7.377 6.733 1.00 72.12 O ATOM 1419 CB MET A 96 26.495 -4.434 5.323 1.00 53.05 C ATOM 1420 CG MET A 96 25.520 -3.959 4.257 1.00 2.42 C ATOM 1421 SD MET A 96 26.123 -4.252 2.584 1.00 61.35 S ATOM 1422 CE MET A 96 25.705 -2.699 1.796 1.00 61.04 C ATOM 0 H MET A 96 27.573 -5.263 7.668 1.00 13.11 H new ATOM 0 HA MET A 96 24.866 -4.515 6.722 1.00 22.11 H new ATOM 0 HB2 MET A 96 27.118 -3.595 5.634 1.00 53.05 H new ATOM 0 HB3 MET A 96 27.160 -5.181 4.889 1.00 53.05 H new ATOM 0 HG2 MET A 96 24.566 -4.469 4.390 1.00 2.42 H new ATOM 0 HG3 MET A 96 25.333 -2.893 4.390 1.00 2.42 H new ATOM 0 HE1 MET A 96 26.016 -2.725 0.752 1.00 61.04 H new ATOM 0 HE2 MET A 96 24.628 -2.542 1.850 1.00 61.04 H new ATOM 0 HE3 MET A 96 26.216 -1.883 2.306 1.00 61.04 H new ATOM 1432 N VAL A 97 24.402 -6.792 5.660 1.00 65.32 N ATOM 1433 CA VAL A 97 24.010 -8.167 5.372 1.00 45.21 C ATOM 1434 C VAL A 97 24.375 -8.555 3.943 1.00 2.34 C ATOM 1435 O VAL A 97 24.156 -7.787 3.007 1.00 71.32 O ATOM 1436 CB VAL A 97 22.498 -8.374 5.578 1.00 22.13 C ATOM 1437 CG1 VAL A 97 22.102 -8.030 7.006 1.00 52.11 C ATOM 1438 CG2 VAL A 97 21.706 -7.542 4.581 1.00 71.51 C ATOM 0 H VAL A 97 23.752 -6.087 5.314 1.00 65.32 H new ATOM 0 HA VAL A 97 24.555 -8.804 6.069 1.00 45.21 H new ATOM 0 HB VAL A 97 22.265 -9.425 5.405 1.00 22.13 H new ATOM 0 HG11 VAL A 97 21.030 -8.182 7.133 1.00 52.11 H new ATOM 0 HG12 VAL A 97 22.645 -8.673 7.699 1.00 52.11 H new ATOM 0 HG13 VAL A 97 22.347 -6.988 7.211 1.00 52.11 H new ATOM 0 HG21 VAL A 97 20.639 -7.700 4.741 1.00 71.51 H new ATOM 0 HG22 VAL A 97 21.941 -6.487 4.720 1.00 71.51 H new ATOM 0 HG23 VAL A 97 21.969 -7.842 3.567 1.00 71.51 H new ATOM 1448 N GLU A 98 24.933 -9.751 3.785 1.00 73.03 N ATOM 1449 CA GLU A 98 25.328 -10.240 2.469 1.00 21.32 C ATOM 1450 C GLU A 98 24.181 -10.993 1.801 1.00 21.34 C ATOM 1451 O GLU A 98 24.181 -12.223 1.747 1.00 44.31 O ATOM 1452 CB GLU A 98 26.551 -11.152 2.586 1.00 5.02 C ATOM 1453 CG GLU A 98 27.781 -10.452 3.140 1.00 22.31 C ATOM 1454 CD GLU A 98 29.044 -11.276 2.977 1.00 40.30 C ATOM 1455 OE1 GLU A 98 29.325 -11.714 1.842 1.00 73.00 O ATOM 1456 OE2 GLU A 98 29.752 -11.481 3.985 1.00 33.43 O ATOM 0 H GLU A 98 25.122 -10.398 4.550 1.00 73.03 H new ATOM 0 HA GLU A 98 25.583 -9.379 1.851 1.00 21.32 H new ATOM 0 HB2 GLU A 98 26.304 -11.997 3.229 1.00 5.02 H new ATOM 0 HB3 GLU A 98 26.786 -11.558 1.602 1.00 5.02 H new ATOM 0 HG2 GLU A 98 27.908 -9.495 2.634 1.00 22.31 H new ATOM 0 HG3 GLU A 98 27.626 -10.236 4.197 1.00 22.31 H new ATOM 1463 N GLN A 99 23.205 -10.246 1.296 1.00 44.33 N ATOM 1464 CA GLN A 99 22.052 -10.842 0.633 1.00 71.42 C ATOM 1465 C GLN A 99 21.252 -11.705 1.603 1.00 24.45 C ATOM 1466 O GLN A 99 21.588 -11.806 2.784 1.00 2.51 O ATOM 1467 CB GLN A 99 22.503 -11.683 -0.563 1.00 54.11 C ATOM 1468 CG GLN A 99 21.774 -11.345 -1.854 1.00 15.05 C ATOM 1469 CD GLN A 99 22.048 -12.346 -2.958 1.00 72.32 C ATOM 1470 OE1 GLN A 99 21.341 -13.345 -3.096 1.00 72.02 O ATOM 1471 NE2 GLN A 99 23.079 -12.084 -3.753 1.00 13.11 N ATOM 0 H GLN A 99 23.190 -9.227 1.333 1.00 44.33 H new ATOM 0 HA GLN A 99 21.411 -10.035 0.280 1.00 71.42 H new ATOM 0 HB2 GLN A 99 23.574 -11.542 -0.712 1.00 54.11 H new ATOM 0 HB3 GLN A 99 22.349 -12.737 -0.334 1.00 54.11 H new ATOM 0 HG2 GLN A 99 20.702 -11.306 -1.662 1.00 15.05 H new ATOM 0 HG3 GLN A 99 22.074 -10.351 -2.187 1.00 15.05 H new ATOM 0 HE21 GLN A 99 23.638 -11.244 -3.603 1.00 13.11 H new ATOM 0 HE22 GLN A 99 23.311 -12.722 -4.514 1.00 13.11 H new ATOM 1480 N THR A 100 20.192 -12.328 1.099 1.00 54.23 N ATOM 1481 CA THR A 100 19.343 -13.181 1.921 1.00 61.01 C ATOM 1482 C THR A 100 20.025 -14.512 2.218 1.00 11.42 C ATOM 1483 O THR A 100 20.809 -15.012 1.413 1.00 31.11 O ATOM 1484 CB THR A 100 17.989 -13.452 1.238 1.00 22.21 C ATOM 1485 OG1 THR A 100 17.181 -14.294 2.069 1.00 44.43 O ATOM 1486 CG2 THR A 100 18.190 -14.112 -0.118 1.00 55.41 C ATOM 0 H THR A 100 19.901 -12.258 0.124 1.00 54.23 H new ATOM 0 HA THR A 100 19.169 -12.648 2.856 1.00 61.01 H new ATOM 0 HB THR A 100 17.484 -12.497 1.089 1.00 22.21 H new ATOM 0 HG1 THR A 100 16.321 -14.460 1.629 1.00 44.43 H new ATOM 0 HG21 THR A 100 17.220 -14.294 -0.581 1.00 55.41 H new ATOM 0 HG22 THR A 100 18.781 -13.456 -0.758 1.00 55.41 H new ATOM 0 HG23 THR A 100 18.713 -15.059 0.012 1.00 55.41 H new ATOM 1494 N GLY A 101 19.720 -15.081 3.381 1.00 41.14 N ATOM 1495 CA GLY A 101 20.312 -16.349 3.763 1.00 23.41 C ATOM 1496 C GLY A 101 20.313 -16.560 5.264 1.00 1.43 C ATOM 1497 O GLY A 101 21.319 -16.973 5.840 1.00 51.03 O ATOM 0 H GLY A 101 19.074 -14.686 4.064 1.00 41.14 H new ATOM 0 HA2 GLY A 101 19.764 -17.161 3.286 1.00 23.41 H new ATOM 0 HA3 GLY A 101 21.336 -16.395 3.392 1.00 23.41 H new ATOM 1501 N GLY A 102 19.182 -16.273 5.901 1.00 12.54 N ATOM 1502 CA GLY A 102 19.078 -16.437 7.339 1.00 21.15 C ATOM 1503 C GLY A 102 18.224 -15.364 7.986 1.00 71.54 C ATOM 1504 O GLY A 102 17.366 -14.769 7.334 1.00 35.34 O ATOM 0 H GLY A 102 18.336 -15.930 5.447 1.00 12.54 H new ATOM 0 HA2 GLY A 102 18.654 -17.417 7.560 1.00 21.15 H new ATOM 0 HA3 GLY A 102 20.076 -16.416 7.777 1.00 21.15 H new TER 1508 GLY A 102