USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 541 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 3 HIS : no HD1:sc= -0.447 X(o=-0.32,f=-0.26) USER MOD Set 1.2: A 5 SER OG : rot 180:sc= 0.129 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.2) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.224 K(o=-0.22,f=-8.8!) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 26 HIS : no HD1:sc= -0.0176 X(o=-0.018,f=-0.019) USER MOD Single : A 27 SER OG : rot 87:sc= 1.26 USER MOD Single : A 43 HIS : no HE2:sc= -1.72! C(o=-1.7!,f=-4.2!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 97:sc= 0.445 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 157:sc= -0.0916 (180deg=-0.502!) USER MOD Single : A 58 ASN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD Single : A 60 THR OG1 : rot 63:sc= 0.764 USER MOD Single : A 65 LYS NZ :NH3+ -165:sc= -0.0361 (180deg=-0.323) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.110 36.585 -28.464 1.00 31.20 N ATOM 2 CA GLY A 1 23.768 38.001 -28.728 1.00 10.23 C ATOM 3 C GLY A 1 22.348 38.162 -29.224 1.00 51.44 C ATOM 4 O GLY A 1 22.008 37.702 -30.315 1.00 41.30 O ATOM 0 H1 GLY A 1 25.092 36.522 -28.126 1.00 31.20 H new ATOM 0 H2 GLY A 1 23.469 36.202 -27.740 1.00 31.20 H new ATOM 0 H3 GLY A 1 24.010 36.034 -29.341 1.00 31.20 H new ATOM 0 HA2 GLY A 1 23.900 38.581 -27.815 1.00 10.23 H new ATOM 0 HA3 GLY A 1 24.458 38.408 -29.467 1.00 10.23 H new ATOM 10 N SER A 2 21.517 38.813 -28.428 1.00 44.31 N ATOM 11 CA SER A 2 20.143 39.060 -28.814 1.00 51.41 C ATOM 12 C SER A 2 19.926 40.552 -29.027 1.00 3.41 C ATOM 13 O SER A 2 20.664 41.381 -28.493 1.00 33.54 O ATOM 14 CB SER A 2 19.182 38.522 -27.747 1.00 75.52 C ATOM 15 OG SER A 2 17.836 38.582 -28.194 1.00 2.30 O ATOM 0 H SER A 2 21.772 39.179 -27.511 1.00 44.31 H new ATOM 0 HA SER A 2 19.939 38.539 -29.749 1.00 51.41 H new ATOM 0 HB2 SER A 2 19.442 37.492 -27.505 1.00 75.52 H new ATOM 0 HB3 SER A 2 19.290 39.102 -26.830 1.00 75.52 H new ATOM 0 HG SER A 2 17.244 38.232 -27.496 1.00 2.30 H new ATOM 21 N HIS A 3 18.924 40.889 -29.820 1.00 30.40 N ATOM 22 CA HIS A 3 18.612 42.281 -30.113 1.00 72.41 C ATOM 23 C HIS A 3 17.128 42.416 -30.432 1.00 50.22 C ATOM 24 O HIS A 3 16.749 43.027 -31.429 1.00 32.52 O ATOM 25 CB HIS A 3 19.481 42.808 -31.274 1.00 44.24 C ATOM 26 CG HIS A 3 19.340 42.054 -32.566 1.00 22.24 C ATOM 27 ND1 HIS A 3 18.701 42.570 -33.672 1.00 21.41 N ATOM 28 CD2 HIS A 3 19.778 40.825 -32.932 1.00 61.01 C ATOM 29 CE1 HIS A 3 18.751 41.695 -34.657 1.00 61.52 C ATOM 30 NE2 HIS A 3 19.399 40.627 -34.237 1.00 75.34 N ATOM 0 H HIS A 3 18.308 40.215 -30.276 1.00 30.40 H new ATOM 0 HA HIS A 3 18.838 42.887 -29.236 1.00 72.41 H new ATOM 0 HB2 HIS A 3 19.228 43.853 -31.451 1.00 44.24 H new ATOM 0 HB3 HIS A 3 20.526 42.780 -30.967 1.00 44.24 H new ATOM 0 HD2 HIS A 3 20.324 40.130 -32.312 1.00 61.01 H new ATOM 0 HE1 HIS A 3 18.331 41.831 -35.643 1.00 61.52 H new ATOM 0 HE2 HIS A 3 19.588 39.791 -34.790 1.00 75.34 H new ATOM 39 N MET A 4 16.303 41.846 -29.547 1.00 3.32 N ATOM 40 CA MET A 4 14.845 41.756 -29.728 1.00 2.41 C ATOM 41 C MET A 4 14.476 41.394 -31.167 1.00 55.24 C ATOM 42 O MET A 4 13.593 41.992 -31.781 1.00 31.15 O ATOM 43 CB MET A 4 14.119 43.034 -29.254 1.00 71.04 C ATOM 44 CG MET A 4 14.583 44.331 -29.899 1.00 71.13 C ATOM 45 SD MET A 4 13.757 45.776 -29.202 1.00 63.41 S ATOM 46 CE MET A 4 14.642 47.100 -30.017 1.00 35.41 C ATOM 0 H MET A 4 16.629 41.429 -28.675 1.00 3.32 H new ATOM 0 HA MET A 4 14.497 40.943 -29.091 1.00 2.41 H new ATOM 0 HB2 MET A 4 13.052 42.916 -29.444 1.00 71.04 H new ATOM 0 HB3 MET A 4 14.243 43.121 -28.175 1.00 71.04 H new ATOM 0 HG2 MET A 4 15.660 44.433 -29.770 1.00 71.13 H new ATOM 0 HG3 MET A 4 14.393 44.289 -30.972 1.00 71.13 H new ATOM 0 HE1 MET A 4 14.244 48.060 -29.688 1.00 35.41 H new ATOM 0 HE2 MET A 4 15.701 47.040 -29.764 1.00 35.41 H new ATOM 0 HE3 MET A 4 14.521 47.008 -31.096 1.00 35.41 H new ATOM 56 N SER A 5 15.174 40.395 -31.689 1.00 72.44 N ATOM 57 CA SER A 5 14.905 39.866 -33.013 1.00 62.14 C ATOM 58 C SER A 5 13.795 38.824 -32.949 1.00 41.42 C ATOM 59 O SER A 5 13.014 38.663 -33.891 1.00 73.33 O ATOM 60 CB SER A 5 16.192 39.263 -33.576 1.00 23.11 C ATOM 61 OG SER A 5 17.002 38.745 -32.528 1.00 55.22 O ATOM 0 H SER A 5 15.942 39.931 -31.204 1.00 72.44 H new ATOM 0 HA SER A 5 14.569 40.667 -33.671 1.00 62.14 H new ATOM 0 HB2 SER A 5 15.949 38.469 -34.282 1.00 23.11 H new ATOM 0 HB3 SER A 5 16.745 40.023 -34.129 1.00 23.11 H new ATOM 0 HG SER A 5 17.821 38.362 -32.906 1.00 55.22 H new ATOM 67 N THR A 6 13.729 38.128 -31.825 1.00 40.04 N ATOM 68 CA THR A 6 12.695 37.141 -31.593 1.00 24.21 C ATOM 69 C THR A 6 11.358 37.828 -31.333 1.00 14.44 C ATOM 70 O THR A 6 11.243 38.648 -30.421 1.00 35.34 O ATOM 71 CB THR A 6 13.057 36.254 -30.388 1.00 73.13 C ATOM 72 OG1 THR A 6 14.410 35.797 -30.514 1.00 12.14 O ATOM 73 CG2 THR A 6 12.121 35.061 -30.295 1.00 54.50 C ATOM 0 H THR A 6 14.388 38.233 -31.054 1.00 40.04 H new ATOM 0 HA THR A 6 12.613 36.517 -32.483 1.00 24.21 H new ATOM 0 HB THR A 6 12.953 36.847 -29.479 1.00 73.13 H new ATOM 0 HG1 THR A 6 14.638 35.234 -29.745 1.00 12.14 H new ATOM 0 HG21 THR A 6 12.396 34.449 -29.436 1.00 54.50 H new ATOM 0 HG22 THR A 6 11.096 35.411 -30.177 1.00 54.50 H new ATOM 0 HG23 THR A 6 12.199 34.466 -31.205 1.00 54.50 H new ATOM 81 N ASN A 7 10.360 37.516 -32.153 1.00 21.12 N ATOM 82 CA ASN A 7 9.027 38.075 -31.972 1.00 5.45 C ATOM 83 C ASN A 7 8.446 37.630 -30.630 1.00 71.11 C ATOM 84 O ASN A 7 8.461 36.448 -30.293 1.00 71.44 O ATOM 85 CB ASN A 7 8.099 37.685 -33.137 1.00 2.25 C ATOM 86 CG ASN A 7 7.876 36.189 -33.269 1.00 64.14 C ATOM 87 OD1 ASN A 7 6.932 35.634 -32.703 1.00 33.10 O ATOM 88 ND2 ASN A 7 8.736 35.527 -34.027 1.00 14.13 N ATOM 0 H ASN A 7 10.449 36.881 -32.946 1.00 21.12 H new ATOM 0 HA ASN A 7 9.106 39.162 -31.969 1.00 5.45 H new ATOM 0 HB2 ASN A 7 7.135 38.176 -33.001 1.00 2.25 H new ATOM 0 HB3 ASN A 7 8.521 38.063 -34.068 1.00 2.25 H new ATOM 0 HD21 ASN A 7 8.630 34.521 -34.159 1.00 14.13 H new ATOM 0 HD22 ASN A 7 9.505 36.023 -34.479 1.00 14.13 H new ATOM 95 N PRO A 8 7.936 38.586 -29.842 1.00 32.14 N ATOM 96 CA PRO A 8 7.456 38.333 -28.477 1.00 3.51 C ATOM 97 C PRO A 8 6.064 37.710 -28.435 1.00 72.03 C ATOM 98 O PRO A 8 5.308 37.919 -27.483 1.00 13.12 O ATOM 99 CB PRO A 8 7.426 39.732 -27.871 1.00 60.32 C ATOM 100 CG PRO A 8 7.136 40.632 -29.022 1.00 2.35 C ATOM 101 CD PRO A 8 7.796 40.005 -30.220 1.00 35.24 C ATOM 0 HA PRO A 8 8.089 37.620 -27.949 1.00 3.51 H new ATOM 0 HB2 PRO A 8 6.660 39.814 -27.100 1.00 60.32 H new ATOM 0 HB3 PRO A 8 8.378 39.982 -27.402 1.00 60.32 H new ATOM 0 HG2 PRO A 8 6.062 40.732 -29.177 1.00 2.35 H new ATOM 0 HG3 PRO A 8 7.527 41.633 -28.842 1.00 2.35 H new ATOM 0 HD2 PRO A 8 7.189 40.122 -31.118 1.00 35.24 H new ATOM 0 HD3 PRO A 8 8.764 40.461 -30.428 1.00 35.24 H new ATOM 109 N PHE A 9 5.734 36.936 -29.454 1.00 64.42 N ATOM 110 CA PHE A 9 4.443 36.280 -29.519 1.00 65.22 C ATOM 111 C PHE A 9 4.532 34.874 -28.943 1.00 52.40 C ATOM 112 O PHE A 9 4.689 33.897 -29.677 1.00 1.13 O ATOM 113 CB PHE A 9 3.928 36.233 -30.960 1.00 74.45 C ATOM 114 CG PHE A 9 3.778 37.590 -31.585 1.00 53.32 C ATOM 115 CD1 PHE A 9 2.862 38.496 -31.080 1.00 14.23 C ATOM 116 CD2 PHE A 9 4.547 37.957 -32.677 1.00 55.12 C ATOM 117 CE1 PHE A 9 2.716 39.745 -31.648 1.00 51.32 C ATOM 118 CE2 PHE A 9 4.406 39.205 -33.252 1.00 3.35 C ATOM 119 CZ PHE A 9 3.488 40.100 -32.736 1.00 24.54 C ATOM 0 H PHE A 9 6.345 36.747 -30.249 1.00 64.42 H new ATOM 0 HA PHE A 9 3.737 36.858 -28.922 1.00 65.22 H new ATOM 0 HB2 PHE A 9 4.613 35.637 -31.563 1.00 74.45 H new ATOM 0 HB3 PHE A 9 2.964 35.725 -30.977 1.00 74.45 H new ATOM 0 HD1 PHE A 9 2.254 38.222 -30.231 1.00 14.23 H new ATOM 0 HD2 PHE A 9 5.265 37.260 -33.083 1.00 55.12 H new ATOM 0 HE1 PHE A 9 1.999 40.443 -31.242 1.00 51.32 H new ATOM 0 HE2 PHE A 9 5.012 39.481 -34.103 1.00 3.35 H new ATOM 0 HZ PHE A 9 3.375 41.076 -33.184 1.00 24.54 H new ATOM 129 N ASP A 10 4.475 34.783 -27.623 1.00 53.22 N ATOM 130 CA ASP A 10 4.458 33.492 -26.950 1.00 14.33 C ATOM 131 C ASP A 10 3.028 33.122 -26.605 1.00 73.42 C ATOM 132 O ASP A 10 2.159 33.992 -26.519 1.00 2.11 O ATOM 133 CB ASP A 10 5.316 33.505 -25.674 1.00 13.04 C ATOM 134 CG ASP A 10 4.780 34.432 -24.599 1.00 73.13 C ATOM 135 OD1 ASP A 10 3.907 34.008 -23.810 1.00 30.21 O ATOM 136 OD2 ASP A 10 5.249 35.586 -24.523 1.00 23.45 O ATOM 0 H ASP A 10 4.440 35.587 -26.996 1.00 53.22 H new ATOM 0 HA ASP A 10 4.883 32.751 -27.627 1.00 14.33 H new ATOM 0 HB2 ASP A 10 5.375 32.493 -25.274 1.00 13.04 H new ATOM 0 HB3 ASP A 10 6.332 33.807 -25.931 1.00 13.04 H new ATOM 141 N ASP A 11 2.782 31.837 -26.423 1.00 31.23 N ATOM 142 CA ASP A 11 1.449 31.365 -26.086 1.00 35.51 C ATOM 143 C ASP A 11 1.518 30.357 -24.947 1.00 71.44 C ATOM 144 O ASP A 11 0.673 30.361 -24.050 1.00 54.05 O ATOM 145 CB ASP A 11 0.777 30.736 -27.308 1.00 61.34 C ATOM 146 CG ASP A 11 -0.696 30.464 -27.078 1.00 53.53 C ATOM 147 OD1 ASP A 11 -1.510 31.387 -27.286 1.00 3.52 O ATOM 148 OD2 ASP A 11 -1.048 29.329 -26.692 1.00 42.35 O ATOM 0 H ASP A 11 3.485 31.102 -26.502 1.00 31.23 H new ATOM 0 HA ASP A 11 0.853 32.219 -25.764 1.00 35.51 H new ATOM 0 HB2 ASP A 11 0.892 31.400 -28.165 1.00 61.34 H new ATOM 0 HB3 ASP A 11 1.282 29.803 -27.557 1.00 61.34 H new ATOM 153 N ASP A 12 2.533 29.500 -24.978 1.00 65.11 N ATOM 154 CA ASP A 12 2.728 28.517 -23.918 1.00 24.13 C ATOM 155 C ASP A 12 3.296 29.193 -22.676 1.00 30.20 C ATOM 156 O ASP A 12 4.432 29.675 -22.682 1.00 73.51 O ATOM 157 CB ASP A 12 3.659 27.388 -24.374 1.00 60.44 C ATOM 158 CG ASP A 12 3.783 26.282 -23.339 1.00 73.13 C ATOM 159 OD1 ASP A 12 2.856 25.446 -23.240 1.00 30.44 O ATOM 160 OD2 ASP A 12 4.805 26.237 -22.620 1.00 41.33 O ATOM 0 H ASP A 12 3.230 29.466 -25.722 1.00 65.11 H new ATOM 0 HA ASP A 12 1.758 28.081 -23.678 1.00 24.13 H new ATOM 0 HB2 ASP A 12 3.285 26.967 -25.307 1.00 60.44 H new ATOM 0 HB3 ASP A 12 4.647 27.798 -24.583 1.00 60.44 H new ATOM 165 N ASN A 13 2.498 29.238 -21.622 1.00 24.34 N ATOM 166 CA ASN A 13 2.904 29.897 -20.387 1.00 3.22 C ATOM 167 C ASN A 13 3.599 28.917 -19.459 1.00 11.43 C ATOM 168 O ASN A 13 3.131 27.796 -19.257 1.00 23.33 O ATOM 169 CB ASN A 13 1.698 30.520 -19.674 1.00 25.12 C ATOM 170 CG ASN A 13 1.086 31.669 -20.449 1.00 32.43 C ATOM 171 OD1 ASN A 13 1.530 32.812 -20.339 1.00 55.12 O ATOM 172 ND2 ASN A 13 0.050 31.383 -21.223 1.00 12.21 N ATOM 0 H ASN A 13 1.565 28.827 -21.595 1.00 24.34 H new ATOM 0 HA ASN A 13 3.602 30.692 -20.650 1.00 3.22 H new ATOM 0 HB2 ASN A 13 0.941 29.753 -19.513 1.00 25.12 H new ATOM 0 HB3 ASN A 13 2.007 30.875 -18.691 1.00 25.12 H new ATOM 0 HD21 ASN A 13 -0.409 32.123 -21.754 1.00 12.21 H new ATOM 0 HD22 ASN A 13 -0.289 30.423 -21.288 1.00 12.21 H new ATOM 179 N GLY A 14 4.723 29.336 -18.909 1.00 51.13 N ATOM 180 CA GLY A 14 5.442 28.500 -17.975 1.00 21.14 C ATOM 181 C GLY A 14 6.869 28.256 -18.407 1.00 35.24 C ATOM 182 O GLY A 14 7.118 27.826 -19.532 1.00 24.13 O ATOM 0 H GLY A 14 5.153 30.243 -19.092 1.00 51.13 H new ATOM 0 HA2 GLY A 14 5.438 28.970 -16.992 1.00 21.14 H new ATOM 0 HA3 GLY A 14 4.927 27.545 -17.874 1.00 21.14 H new ATOM 186 N ALA A 15 7.803 28.535 -17.516 1.00 10.03 N ATOM 187 CA ALA A 15 9.211 28.309 -17.792 1.00 40.42 C ATOM 188 C ALA A 15 9.724 27.137 -16.973 1.00 10.11 C ATOM 189 O ALA A 15 9.103 26.742 -15.984 1.00 53.33 O ATOM 190 CB ALA A 15 10.021 29.564 -17.495 1.00 42.14 C ATOM 0 H ALA A 15 7.611 28.920 -16.591 1.00 10.03 H new ATOM 0 HA ALA A 15 9.325 28.071 -18.850 1.00 40.42 H new ATOM 0 HB1 ALA A 15 11.074 29.376 -17.707 1.00 42.14 H new ATOM 0 HB2 ALA A 15 9.665 30.383 -18.120 1.00 42.14 H new ATOM 0 HB3 ALA A 15 9.905 29.832 -16.445 1.00 42.14 H new ATOM 196 N PHE A 16 10.854 26.590 -17.377 1.00 2.14 N ATOM 197 CA PHE A 16 11.443 25.443 -16.701 1.00 60.34 C ATOM 198 C PHE A 16 12.903 25.718 -16.358 1.00 23.33 C ATOM 199 O PHE A 16 13.603 26.414 -17.094 1.00 2.33 O ATOM 200 CB PHE A 16 11.323 24.188 -17.581 1.00 41.43 C ATOM 201 CG PHE A 16 11.420 24.483 -19.049 1.00 42.52 C ATOM 202 CD1 PHE A 16 12.596 24.957 -19.593 1.00 52.44 C ATOM 203 CD2 PHE A 16 10.326 24.308 -19.882 1.00 61.53 C ATOM 204 CE1 PHE A 16 12.683 25.253 -20.932 1.00 24.33 C ATOM 205 CE2 PHE A 16 10.410 24.599 -21.228 1.00 23.23 C ATOM 206 CZ PHE A 16 11.591 25.075 -21.754 1.00 4.31 C ATOM 0 H PHE A 16 11.390 26.923 -18.178 1.00 2.14 H new ATOM 0 HA PHE A 16 10.900 25.269 -15.772 1.00 60.34 H new ATOM 0 HB2 PHE A 16 12.108 23.483 -17.306 1.00 41.43 H new ATOM 0 HB3 PHE A 16 10.370 23.699 -17.378 1.00 41.43 H new ATOM 0 HD1 PHE A 16 13.459 25.097 -18.959 1.00 52.44 H new ATOM 0 HD2 PHE A 16 9.397 23.940 -19.473 1.00 61.53 H new ATOM 0 HE1 PHE A 16 13.610 25.626 -21.342 1.00 24.33 H new ATOM 0 HE2 PHE A 16 9.552 24.454 -21.868 1.00 23.23 H new ATOM 0 HZ PHE A 16 11.661 25.308 -22.806 1.00 4.31 H new ATOM 216 N PHE A 17 13.346 25.185 -15.233 1.00 3.34 N ATOM 217 CA PHE A 17 14.730 25.331 -14.805 1.00 51.42 C ATOM 218 C PHE A 17 15.419 23.978 -14.777 1.00 72.30 C ATOM 219 O PHE A 17 14.763 22.932 -14.789 1.00 3.33 O ATOM 220 CB PHE A 17 14.813 25.950 -13.403 1.00 31.34 C ATOM 221 CG PHE A 17 14.724 27.451 -13.357 1.00 30.40 C ATOM 222 CD1 PHE A 17 14.407 28.190 -14.483 1.00 64.43 C ATOM 223 CD2 PHE A 17 14.966 28.124 -12.170 1.00 72.20 C ATOM 224 CE1 PHE A 17 14.332 29.570 -14.428 1.00 12.45 C ATOM 225 CE2 PHE A 17 14.893 29.503 -12.109 1.00 73.11 C ATOM 226 CZ PHE A 17 14.575 30.227 -13.240 1.00 52.41 C ATOM 0 H PHE A 17 12.764 24.643 -14.594 1.00 3.34 H new ATOM 0 HA PHE A 17 15.225 25.989 -15.519 1.00 51.42 H new ATOM 0 HB2 PHE A 17 14.010 25.536 -12.793 1.00 31.34 H new ATOM 0 HB3 PHE A 17 15.753 25.644 -12.944 1.00 31.34 H new ATOM 0 HD1 PHE A 17 14.216 27.683 -15.417 1.00 64.43 H new ATOM 0 HD2 PHE A 17 15.215 27.564 -11.281 1.00 72.20 H new ATOM 0 HE1 PHE A 17 14.083 30.133 -15.315 1.00 12.45 H new ATOM 0 HE2 PHE A 17 15.085 30.014 -11.177 1.00 73.11 H new ATOM 0 HZ PHE A 17 14.517 31.304 -13.195 1.00 52.41 H new ATOM 236 N VAL A 18 16.740 24.004 -14.725 1.00 4.01 N ATOM 237 CA VAL A 18 17.515 22.785 -14.582 1.00 72.22 C ATOM 238 C VAL A 18 17.794 22.531 -13.110 1.00 33.02 C ATOM 239 O VAL A 18 18.688 23.146 -12.521 1.00 72.11 O ATOM 240 CB VAL A 18 18.852 22.856 -15.349 1.00 32.12 C ATOM 241 CG1 VAL A 18 19.604 21.537 -15.248 1.00 55.43 C ATOM 242 CG2 VAL A 18 18.617 23.228 -16.804 1.00 12.33 C ATOM 0 H VAL A 18 17.298 24.856 -14.780 1.00 4.01 H new ATOM 0 HA VAL A 18 16.929 21.969 -15.006 1.00 72.22 H new ATOM 0 HB VAL A 18 19.465 23.633 -14.891 1.00 32.12 H new ATOM 0 HG11 VAL A 18 20.543 21.611 -15.796 1.00 55.43 H new ATOM 0 HG12 VAL A 18 19.811 21.316 -14.201 1.00 55.43 H new ATOM 0 HG13 VAL A 18 18.997 20.738 -15.674 1.00 55.43 H new ATOM 0 HG21 VAL A 18 19.572 23.273 -17.327 1.00 12.33 H new ATOM 0 HG22 VAL A 18 17.981 22.477 -17.273 1.00 12.33 H new ATOM 0 HG23 VAL A 18 18.129 24.201 -16.856 1.00 12.33 H new ATOM 252 N LEU A 19 17.016 21.638 -12.518 1.00 51.11 N ATOM 253 CA LEU A 19 17.125 21.350 -11.099 1.00 23.23 C ATOM 254 C LEU A 19 17.720 19.965 -10.909 1.00 33.24 C ATOM 255 O LEU A 19 17.239 18.995 -11.487 1.00 54.22 O ATOM 256 CB LEU A 19 15.740 21.417 -10.441 1.00 53.14 C ATOM 257 CG LEU A 19 15.747 21.540 -8.916 1.00 54.41 C ATOM 258 CD1 LEU A 19 16.239 22.921 -8.504 1.00 73.41 C ATOM 259 CD2 LEU A 19 14.361 21.273 -8.341 1.00 25.42 C ATOM 0 H LEU A 19 16.299 21.098 -13.003 1.00 51.11 H new ATOM 0 HA LEU A 19 17.773 22.091 -10.631 1.00 23.23 H new ATOM 0 HB2 LEU A 19 15.200 22.268 -10.855 1.00 53.14 H new ATOM 0 HB3 LEU A 19 15.182 20.521 -10.714 1.00 53.14 H new ATOM 0 HG LEU A 19 16.428 20.790 -8.514 1.00 54.41 H new ATOM 0 HD11 LEU A 19 16.240 22.998 -7.417 1.00 73.41 H new ATOM 0 HD12 LEU A 19 17.251 23.074 -8.879 1.00 73.41 H new ATOM 0 HD13 LEU A 19 15.579 23.682 -8.921 1.00 73.41 H new ATOM 0 HD21 LEU A 19 14.393 21.367 -7.256 1.00 25.42 H new ATOM 0 HD22 LEU A 19 13.653 21.996 -8.747 1.00 25.42 H new ATOM 0 HD23 LEU A 19 14.044 20.265 -8.609 1.00 25.42 H new ATOM 271 N VAL A 20 18.766 19.869 -10.104 1.00 54.31 N ATOM 272 CA VAL A 20 19.425 18.590 -9.880 1.00 1.04 C ATOM 273 C VAL A 20 19.497 18.265 -8.391 1.00 52.45 C ATOM 274 O VAL A 20 19.860 19.114 -7.570 1.00 22.12 O ATOM 275 CB VAL A 20 20.844 18.570 -10.493 1.00 31.22 C ATOM 276 CG1 VAL A 20 21.514 17.222 -10.268 1.00 65.21 C ATOM 277 CG2 VAL A 20 20.787 18.892 -11.981 1.00 44.44 C ATOM 0 H VAL A 20 19.175 20.654 -9.598 1.00 54.31 H new ATOM 0 HA VAL A 20 18.826 17.827 -10.377 1.00 1.04 H new ATOM 0 HB VAL A 20 21.439 19.334 -9.993 1.00 31.22 H new ATOM 0 HG11 VAL A 20 22.511 17.233 -10.708 1.00 65.21 H new ATOM 0 HG12 VAL A 20 21.592 17.029 -9.198 1.00 65.21 H new ATOM 0 HG13 VAL A 20 20.919 16.438 -10.736 1.00 65.21 H new ATOM 0 HG21 VAL A 20 21.795 18.874 -12.396 1.00 44.44 H new ATOM 0 HG22 VAL A 20 20.171 18.151 -12.490 1.00 44.44 H new ATOM 0 HG23 VAL A 20 20.354 19.882 -12.123 1.00 44.44 H new ATOM 287 N ASN A 21 19.121 17.040 -8.059 1.00 13.51 N ATOM 288 CA ASN A 21 19.147 16.557 -6.684 1.00 61.42 C ATOM 289 C ASN A 21 20.485 15.866 -6.421 1.00 15.32 C ATOM 290 O ASN A 21 21.161 15.459 -7.360 1.00 60.15 O ATOM 291 CB ASN A 21 17.983 15.576 -6.469 1.00 40.23 C ATOM 292 CG ASN A 21 17.617 15.372 -5.007 1.00 14.14 C ATOM 293 OD1 ASN A 21 18.454 15.481 -4.116 1.00 1.33 O ATOM 294 ND2 ASN A 21 16.358 15.055 -4.753 1.00 30.15 N ATOM 0 H ASN A 21 18.789 16.351 -8.734 1.00 13.51 H new ATOM 0 HA ASN A 21 19.037 17.391 -5.990 1.00 61.42 H new ATOM 0 HB2 ASN A 21 17.108 15.942 -7.006 1.00 40.23 H new ATOM 0 HB3 ASN A 21 18.246 14.613 -6.906 1.00 40.23 H new ATOM 0 HD21 ASN A 21 16.057 14.893 -3.792 1.00 30.15 H new ATOM 0 HD22 ASN A 21 15.688 14.973 -5.518 1.00 30.15 H new ATOM 301 N ASP A 22 20.861 15.718 -5.153 1.00 31.34 N ATOM 302 CA ASP A 22 22.122 15.063 -4.789 1.00 71.21 C ATOM 303 C ASP A 22 22.108 13.592 -5.207 1.00 5.13 C ATOM 304 O ASP A 22 23.152 12.956 -5.338 1.00 75.41 O ATOM 305 CB ASP A 22 22.361 15.186 -3.276 1.00 63.32 C ATOM 306 CG ASP A 22 23.599 14.445 -2.791 1.00 13.22 C ATOM 307 OD1 ASP A 22 24.729 14.930 -3.024 1.00 4.44 O ATOM 308 OD2 ASP A 22 23.450 13.381 -2.155 1.00 22.11 O ATOM 0 H ASP A 22 20.312 16.042 -4.357 1.00 31.34 H new ATOM 0 HA ASP A 22 22.936 15.560 -5.317 1.00 71.21 H new ATOM 0 HB2 ASP A 22 22.454 16.240 -3.016 1.00 63.32 H new ATOM 0 HB3 ASP A 22 21.488 14.803 -2.747 1.00 63.32 H new ATOM 313 N GLU A 23 20.912 13.058 -5.423 1.00 75.54 N ATOM 314 CA GLU A 23 20.752 11.669 -5.834 1.00 32.45 C ATOM 315 C GLU A 23 20.458 11.574 -7.329 1.00 53.52 C ATOM 316 O GLU A 23 20.258 10.483 -7.868 1.00 4.33 O ATOM 317 CB GLU A 23 19.602 11.027 -5.065 1.00 55.34 C ATOM 318 CG GLU A 23 19.641 11.289 -3.570 1.00 3.05 C ATOM 319 CD GLU A 23 18.468 10.666 -2.849 1.00 72.14 C ATOM 320 OE1 GLU A 23 17.319 11.088 -3.101 1.00 41.22 O ATOM 321 OE2 GLU A 23 18.690 9.750 -2.035 1.00 42.25 O ATOM 0 H GLU A 23 20.035 13.569 -5.320 1.00 75.54 H new ATOM 0 HA GLU A 23 21.684 11.146 -5.619 1.00 32.45 H new ATOM 0 HB2 GLU A 23 18.658 11.398 -5.465 1.00 55.34 H new ATOM 0 HB3 GLU A 23 19.619 9.951 -5.236 1.00 55.34 H new ATOM 0 HG2 GLU A 23 20.570 10.894 -3.158 1.00 3.05 H new ATOM 0 HG3 GLU A 23 19.645 12.364 -3.392 1.00 3.05 H new ATOM 328 N ASP A 24 20.443 12.717 -7.991 1.00 13.53 N ATOM 329 CA ASP A 24 20.001 12.797 -9.377 1.00 20.35 C ATOM 330 C ASP A 24 21.122 13.307 -10.275 1.00 53.33 C ATOM 331 O ASP A 24 22.144 13.795 -9.795 1.00 63.23 O ATOM 332 CB ASP A 24 18.761 13.703 -9.471 1.00 43.45 C ATOM 333 CG ASP A 24 18.314 13.959 -10.897 1.00 72.21 C ATOM 334 OD1 ASP A 24 18.248 12.991 -11.691 1.00 61.12 O ATOM 335 OD2 ASP A 24 18.047 15.126 -11.230 1.00 52.14 O ATOM 0 H ASP A 24 20.733 13.609 -7.591 1.00 13.53 H new ATOM 0 HA ASP A 24 19.733 11.799 -9.723 1.00 20.35 H new ATOM 0 HB2 ASP A 24 17.942 13.245 -8.917 1.00 43.45 H new ATOM 0 HB3 ASP A 24 18.978 14.656 -8.989 1.00 43.45 H new ATOM 340 N GLN A 25 20.936 13.164 -11.576 1.00 74.12 N ATOM 341 CA GLN A 25 21.921 13.596 -12.546 1.00 5.14 C ATOM 342 C GLN A 25 21.389 14.762 -13.369 1.00 61.33 C ATOM 343 O GLN A 25 22.147 15.648 -13.764 1.00 2.43 O ATOM 344 CB GLN A 25 22.289 12.431 -13.462 1.00 50.45 C ATOM 345 CG GLN A 25 22.841 11.235 -12.705 1.00 62.10 C ATOM 346 CD GLN A 25 22.876 9.970 -13.537 1.00 4.10 C ATOM 347 OE1 GLN A 25 23.049 10.010 -14.756 1.00 73.34 O ATOM 348 NE2 GLN A 25 22.693 8.843 -12.876 1.00 42.45 N ATOM 0 H GLN A 25 20.101 12.747 -11.986 1.00 74.12 H new ATOM 0 HA GLN A 25 22.812 13.930 -12.014 1.00 5.14 H new ATOM 0 HB2 GLN A 25 21.406 12.124 -14.023 1.00 50.45 H new ATOM 0 HB3 GLN A 25 23.028 12.767 -14.189 1.00 50.45 H new ATOM 0 HG2 GLN A 25 23.849 11.464 -12.361 1.00 62.10 H new ATOM 0 HG3 GLN A 25 22.233 11.062 -11.817 1.00 62.10 H new ATOM 0 HE21 GLN A 25 22.554 8.861 -11.866 1.00 42.45 H new ATOM 0 HE22 GLN A 25 22.691 7.954 -13.375 1.00 42.45 H new ATOM 357 N HIS A 26 20.086 14.749 -13.649 1.00 20.14 N ATOM 358 CA HIS A 26 19.470 15.797 -14.453 1.00 44.33 C ATOM 359 C HIS A 26 17.946 15.758 -14.357 1.00 25.54 C ATOM 360 O HIS A 26 17.329 14.717 -14.589 1.00 2.13 O ATOM 361 CB HIS A 26 19.913 15.676 -15.918 1.00 1.43 C ATOM 362 CG HIS A 26 19.579 14.366 -16.578 1.00 15.33 C ATOM 363 ND1 HIS A 26 20.392 13.256 -16.501 1.00 25.13 N ATOM 364 CD2 HIS A 26 18.527 14.004 -17.353 1.00 31.34 C ATOM 365 CE1 HIS A 26 19.856 12.271 -17.198 1.00 13.51 C ATOM 366 NE2 HIS A 26 18.724 12.698 -17.727 1.00 71.22 N ATOM 0 H HIS A 26 19.441 14.026 -13.331 1.00 20.14 H new ATOM 0 HA HIS A 26 19.804 16.756 -14.057 1.00 44.33 H new ATOM 0 HB2 HIS A 26 19.451 16.481 -16.489 1.00 1.43 H new ATOM 0 HB3 HIS A 26 20.991 15.827 -15.969 1.00 1.43 H new ATOM 0 HD2 HIS A 26 17.689 14.628 -17.626 1.00 31.34 H new ATOM 0 HE1 HIS A 26 20.273 11.282 -17.316 1.00 13.51 H new ATOM 0 HE2 HIS A 26 18.099 12.148 -18.316 1.00 71.22 H new ATOM 375 N SER A 27 17.346 16.898 -14.037 1.00 70.05 N ATOM 376 CA SER A 27 15.898 17.028 -14.017 1.00 44.25 C ATOM 377 C SER A 27 15.472 18.429 -14.458 1.00 53.24 C ATOM 378 O SER A 27 16.077 19.432 -14.074 1.00 54.43 O ATOM 379 CB SER A 27 15.354 16.729 -12.618 1.00 40.02 C ATOM 380 OG SER A 27 15.620 15.388 -12.239 1.00 42.35 O ATOM 0 H SER A 27 17.846 17.751 -13.786 1.00 70.05 H new ATOM 0 HA SER A 27 15.483 16.304 -14.719 1.00 44.25 H new ATOM 0 HB2 SER A 27 15.806 17.410 -11.896 1.00 40.02 H new ATOM 0 HB3 SER A 27 14.279 16.909 -12.597 1.00 40.02 H new ATOM 0 HG SER A 27 16.508 15.334 -11.827 1.00 42.35 H new ATOM 386 N LEU A 28 14.448 18.490 -15.293 1.00 62.10 N ATOM 387 CA LEU A 28 13.881 19.760 -15.719 1.00 50.32 C ATOM 388 C LEU A 28 12.624 20.051 -14.912 1.00 31.11 C ATOM 389 O LEU A 28 11.630 19.326 -15.012 1.00 61.20 O ATOM 390 CB LEU A 28 13.563 19.742 -17.219 1.00 53.12 C ATOM 391 CG LEU A 28 14.713 20.152 -18.152 1.00 43.24 C ATOM 392 CD1 LEU A 28 15.119 21.591 -17.885 1.00 11.32 C ATOM 393 CD2 LEU A 28 15.909 19.226 -17.990 1.00 22.11 C ATOM 0 H LEU A 28 13.990 17.670 -15.691 1.00 62.10 H new ATOM 0 HA LEU A 28 14.613 20.549 -15.543 1.00 50.32 H new ATOM 0 HB2 LEU A 28 13.241 18.737 -17.491 1.00 53.12 H new ATOM 0 HB3 LEU A 28 12.719 20.407 -17.400 1.00 53.12 H new ATOM 0 HG LEU A 28 14.360 20.069 -19.180 1.00 43.24 H new ATOM 0 HD11 LEU A 28 15.935 21.869 -18.553 1.00 11.32 H new ATOM 0 HD12 LEU A 28 14.267 22.248 -18.060 1.00 11.32 H new ATOM 0 HD13 LEU A 28 15.447 21.690 -16.850 1.00 11.32 H new ATOM 0 HD21 LEU A 28 16.707 19.541 -18.663 1.00 22.11 H new ATOM 0 HD22 LEU A 28 16.265 19.268 -16.961 1.00 22.11 H new ATOM 0 HD23 LEU A 28 15.614 18.205 -18.230 1.00 22.11 H new ATOM 405 N TRP A 29 12.678 21.100 -14.111 1.00 50.34 N ATOM 406 CA TRP A 29 11.607 21.409 -13.179 1.00 20.41 C ATOM 407 C TRP A 29 10.996 22.765 -13.514 1.00 32.24 C ATOM 408 O TRP A 29 11.697 23.774 -13.574 1.00 74.10 O ATOM 409 CB TRP A 29 12.162 21.401 -11.754 1.00 43.11 C ATOM 410 CG TRP A 29 11.118 21.268 -10.689 1.00 62.11 C ATOM 411 CD1 TRP A 29 10.801 22.187 -9.731 1.00 23.24 C ATOM 412 CD2 TRP A 29 10.255 20.144 -10.468 1.00 74.32 C ATOM 413 NE1 TRP A 29 9.804 21.699 -8.924 1.00 60.32 N ATOM 414 CE2 TRP A 29 9.449 20.450 -9.357 1.00 25.15 C ATOM 415 CE3 TRP A 29 10.091 18.909 -11.101 1.00 12.00 C ATOM 416 CZ2 TRP A 29 8.491 19.568 -8.867 1.00 50.34 C ATOM 417 CZ3 TRP A 29 9.139 18.034 -10.615 1.00 73.52 C ATOM 418 CH2 TRP A 29 8.349 18.366 -9.507 1.00 70.13 C ATOM 0 H TRP A 29 13.458 21.757 -14.087 1.00 50.34 H new ATOM 0 HA TRP A 29 10.823 20.656 -13.258 1.00 20.41 H new ATOM 0 HB2 TRP A 29 12.871 20.579 -11.657 1.00 43.11 H new ATOM 0 HB3 TRP A 29 12.719 22.323 -11.588 1.00 43.11 H new ATOM 0 HD1 TRP A 29 11.266 23.156 -9.624 1.00 23.24 H new ATOM 0 HE1 TRP A 29 9.393 22.189 -8.129 1.00 60.32 H new ATOM 0 HE3 TRP A 29 10.697 18.644 -11.954 1.00 12.00 H new ATOM 0 HZ2 TRP A 29 7.881 19.822 -8.013 1.00 50.34 H new ATOM 0 HZ3 TRP A 29 9.001 17.078 -11.098 1.00 73.52 H new ATOM 0 HH2 TRP A 29 7.613 17.660 -9.151 1.00 70.13 H new ATOM 429 N PRO A 30 9.682 22.802 -13.765 1.00 72.53 N ATOM 430 CA PRO A 30 8.980 24.041 -14.103 1.00 63.44 C ATOM 431 C PRO A 30 8.972 25.036 -12.947 1.00 0.24 C ATOM 432 O PRO A 30 8.866 24.654 -11.782 1.00 73.54 O ATOM 433 CB PRO A 30 7.554 23.576 -14.422 1.00 4.34 C ATOM 434 CG PRO A 30 7.411 22.262 -13.732 1.00 3.34 C ATOM 435 CD PRO A 30 8.779 21.640 -13.735 1.00 51.14 C ATOM 0 HA PRO A 30 9.461 24.566 -14.928 1.00 63.44 H new ATOM 0 HB2 PRO A 30 6.816 24.293 -14.062 1.00 4.34 H new ATOM 0 HB3 PRO A 30 7.403 23.475 -15.497 1.00 4.34 H new ATOM 0 HG2 PRO A 30 7.045 22.394 -12.714 1.00 3.34 H new ATOM 0 HG3 PRO A 30 6.692 21.626 -14.249 1.00 3.34 H new ATOM 0 HD2 PRO A 30 8.943 21.026 -12.849 1.00 51.14 H new ATOM 0 HD3 PRO A 30 8.925 20.995 -14.601 1.00 51.14 H new ATOM 443 N VAL A 31 9.064 26.319 -13.278 1.00 5.34 N ATOM 444 CA VAL A 31 9.092 27.376 -12.271 1.00 31.12 C ATOM 445 C VAL A 31 7.708 27.595 -11.665 1.00 22.24 C ATOM 446 O VAL A 31 7.526 28.429 -10.780 1.00 72.24 O ATOM 447 CB VAL A 31 9.606 28.707 -12.862 1.00 4.33 C ATOM 448 CG1 VAL A 31 11.003 28.532 -13.430 1.00 70.22 C ATOM 449 CG2 VAL A 31 8.659 29.235 -13.929 1.00 74.32 C ATOM 0 H VAL A 31 9.121 26.654 -14.240 1.00 5.34 H new ATOM 0 HA VAL A 31 9.778 27.050 -11.489 1.00 31.12 H new ATOM 0 HB VAL A 31 9.647 29.440 -12.056 1.00 4.33 H new ATOM 0 HG11 VAL A 31 11.350 29.480 -13.842 1.00 70.22 H new ATOM 0 HG12 VAL A 31 11.680 28.211 -12.638 1.00 70.22 H new ATOM 0 HG13 VAL A 31 10.984 27.779 -14.218 1.00 70.22 H new ATOM 0 HG21 VAL A 31 9.046 30.173 -14.327 1.00 74.32 H new ATOM 0 HG22 VAL A 31 8.576 28.506 -14.735 1.00 74.32 H new ATOM 0 HG23 VAL A 31 7.676 29.405 -13.491 1.00 74.32 H new ATOM 459 N PHE A 32 6.737 26.843 -12.161 1.00 43.21 N ATOM 460 CA PHE A 32 5.371 26.918 -11.666 1.00 54.23 C ATOM 461 C PHE A 32 5.140 25.812 -10.635 1.00 21.23 C ATOM 462 O PHE A 32 4.031 25.625 -10.132 1.00 40.43 O ATOM 463 CB PHE A 32 4.393 26.786 -12.841 1.00 43.03 C ATOM 464 CG PHE A 32 2.998 27.270 -12.547 1.00 53.00 C ATOM 465 CD1 PHE A 32 2.714 28.625 -12.532 1.00 61.21 C ATOM 466 CD2 PHE A 32 1.971 26.374 -12.296 1.00 4.02 C ATOM 467 CE1 PHE A 32 1.436 29.079 -12.271 1.00 63.22 C ATOM 468 CE2 PHE A 32 0.691 26.823 -12.034 1.00 34.13 C ATOM 469 CZ PHE A 32 0.422 28.177 -12.022 1.00 44.13 C ATOM 0 H PHE A 32 6.872 26.168 -12.913 1.00 43.21 H new ATOM 0 HA PHE A 32 5.203 27.881 -11.183 1.00 54.23 H new ATOM 0 HB2 PHE A 32 4.787 27.345 -13.690 1.00 43.03 H new ATOM 0 HB3 PHE A 32 4.345 25.740 -13.142 1.00 43.03 H new ATOM 0 HD1 PHE A 32 3.503 29.337 -12.727 1.00 61.21 H new ATOM 0 HD2 PHE A 32 2.173 25.313 -12.305 1.00 4.02 H new ATOM 0 HE1 PHE A 32 1.230 30.139 -12.262 1.00 63.22 H new ATOM 0 HE2 PHE A 32 -0.100 26.114 -11.838 1.00 34.13 H new ATOM 0 HZ PHE A 32 -0.579 28.529 -11.818 1.00 44.13 H new ATOM 479 N ALA A 33 6.206 25.091 -10.316 1.00 62.53 N ATOM 480 CA ALA A 33 6.132 23.978 -9.382 1.00 73.21 C ATOM 481 C ALA A 33 6.876 24.299 -8.088 1.00 14.11 C ATOM 482 O ALA A 33 7.676 25.234 -8.034 1.00 13.22 O ATOM 483 CB ALA A 33 6.687 22.717 -10.022 1.00 74.20 C ATOM 0 H ALA A 33 7.138 25.259 -10.694 1.00 62.53 H new ATOM 0 HA ALA A 33 5.085 23.810 -9.132 1.00 73.21 H new ATOM 0 HB1 ALA A 33 6.626 21.892 -9.313 1.00 74.20 H new ATOM 0 HB2 ALA A 33 6.106 22.475 -10.912 1.00 74.20 H new ATOM 0 HB3 ALA A 33 7.728 22.879 -10.302 1.00 74.20 H new ATOM 489 N ASP A 34 6.603 23.517 -7.051 1.00 73.54 N ATOM 490 CA ASP A 34 7.211 23.728 -5.738 1.00 12.01 C ATOM 491 C ASP A 34 8.655 23.248 -5.723 1.00 25.54 C ATOM 492 O ASP A 34 8.980 22.215 -6.305 1.00 43.40 O ATOM 493 CB ASP A 34 6.424 22.986 -4.650 1.00 72.34 C ATOM 494 CG ASP A 34 5.016 23.514 -4.464 1.00 35.13 C ATOM 495 OD1 ASP A 34 4.826 24.439 -3.648 1.00 44.20 O ATOM 496 OD2 ASP A 34 4.085 22.991 -5.115 1.00 51.51 O ATOM 0 H ASP A 34 5.961 22.726 -7.092 1.00 73.54 H new ATOM 0 HA ASP A 34 7.188 24.799 -5.535 1.00 12.01 H new ATOM 0 HB2 ASP A 34 6.377 21.927 -4.904 1.00 72.34 H new ATOM 0 HB3 ASP A 34 6.962 23.064 -3.705 1.00 72.34 H new ATOM 501 N ILE A 35 9.517 24.005 -5.060 1.00 23.41 N ATOM 502 CA ILE A 35 10.914 23.621 -4.907 1.00 54.34 C ATOM 503 C ILE A 35 11.232 23.400 -3.429 1.00 65.45 C ATOM 504 O ILE A 35 11.125 24.324 -2.621 1.00 14.24 O ATOM 505 CB ILE A 35 11.868 24.685 -5.496 1.00 10.14 C ATOM 506 CG1 ILE A 35 11.516 24.964 -6.961 1.00 72.42 C ATOM 507 CG2 ILE A 35 13.311 24.222 -5.381 1.00 64.03 C ATOM 508 CD1 ILE A 35 12.432 25.969 -7.628 1.00 60.24 C ATOM 0 H ILE A 35 9.273 24.891 -4.618 1.00 23.41 H new ATOM 0 HA ILE A 35 11.067 22.694 -5.460 1.00 54.34 H new ATOM 0 HB ILE A 35 11.751 25.608 -4.928 1.00 10.14 H new ATOM 0 HG12 ILE A 35 11.552 24.028 -7.518 1.00 72.42 H new ATOM 0 HG13 ILE A 35 10.490 25.329 -7.016 1.00 72.42 H new ATOM 0 HG21 ILE A 35 13.971 24.981 -5.800 1.00 64.03 H new ATOM 0 HG22 ILE A 35 13.560 24.064 -4.332 1.00 64.03 H new ATOM 0 HG23 ILE A 35 13.438 23.288 -5.929 1.00 64.03 H new ATOM 0 HD11 ILE A 35 12.121 26.115 -8.662 1.00 60.24 H new ATOM 0 HD12 ILE A 35 12.379 26.919 -7.096 1.00 60.24 H new ATOM 0 HD13 ILE A 35 13.457 25.598 -7.606 1.00 60.24 H new ATOM 520 N PRO A 36 11.609 22.164 -3.059 1.00 20.01 N ATOM 521 CA PRO A 36 11.798 21.771 -1.659 1.00 12.02 C ATOM 522 C PRO A 36 13.205 22.078 -1.113 1.00 43.41 C ATOM 523 O PRO A 36 13.528 23.235 -0.827 1.00 52.44 O ATOM 524 CB PRO A 36 11.527 20.266 -1.726 1.00 34.45 C ATOM 525 CG PRO A 36 12.061 19.854 -3.063 1.00 42.11 C ATOM 526 CD PRO A 36 11.869 21.040 -3.981 1.00 44.21 C ATOM 0 HA PRO A 36 11.152 22.320 -0.974 1.00 12.02 H new ATOM 0 HB2 PRO A 36 12.028 19.735 -0.917 1.00 34.45 H new ATOM 0 HB3 PRO A 36 10.462 20.049 -1.639 1.00 34.45 H new ATOM 0 HG2 PRO A 36 13.114 19.582 -2.994 1.00 42.11 H new ATOM 0 HG3 PRO A 36 11.531 18.980 -3.441 1.00 42.11 H new ATOM 0 HD2 PRO A 36 12.754 21.220 -4.591 1.00 44.21 H new ATOM 0 HD3 PRO A 36 11.036 20.884 -4.666 1.00 44.21 H new ATOM 534 N ALA A 37 14.039 21.047 -0.978 1.00 32.34 N ATOM 535 CA ALA A 37 15.379 21.189 -0.433 1.00 62.32 C ATOM 536 C ALA A 37 16.303 20.149 -1.057 1.00 3.44 C ATOM 537 O ALA A 37 15.831 19.197 -1.679 1.00 34.45 O ATOM 538 CB ALA A 37 15.350 21.032 1.079 1.00 21.30 C ATOM 0 H ALA A 37 13.800 20.092 -1.245 1.00 32.34 H new ATOM 0 HA ALA A 37 15.756 22.184 -0.670 1.00 62.32 H new ATOM 0 HB1 ALA A 37 16.360 21.140 1.475 1.00 21.30 H new ATOM 0 HB2 ALA A 37 14.706 21.797 1.512 1.00 21.30 H new ATOM 0 HB3 ALA A 37 14.964 20.045 1.335 1.00 21.30 H new ATOM 544 N GLY A 38 17.611 20.336 -0.903 1.00 61.52 N ATOM 545 CA GLY A 38 18.563 19.399 -1.472 1.00 71.31 C ATOM 546 C GLY A 38 18.668 19.544 -2.976 1.00 52.02 C ATOM 547 O GLY A 38 18.958 18.583 -3.690 1.00 65.45 O ATOM 0 H GLY A 38 18.027 21.117 -0.396 1.00 61.52 H new ATOM 0 HA2 GLY A 38 19.543 19.559 -1.023 1.00 71.31 H new ATOM 0 HA3 GLY A 38 18.262 18.381 -1.226 1.00 71.31 H new ATOM 551 N TRP A 39 18.436 20.754 -3.456 1.00 1.04 N ATOM 552 CA TRP A 39 18.384 21.015 -4.884 1.00 71.10 C ATOM 553 C TRP A 39 19.451 22.013 -5.310 1.00 53.52 C ATOM 554 O TRP A 39 19.932 22.816 -4.505 1.00 43.22 O ATOM 555 CB TRP A 39 17.003 21.553 -5.263 1.00 61.05 C ATOM 556 CG TRP A 39 16.582 22.746 -4.451 1.00 75.23 C ATOM 557 CD1 TRP A 39 15.814 22.726 -3.326 1.00 40.04 C ATOM 558 CD2 TRP A 39 16.901 24.127 -4.694 1.00 15.24 C ATOM 559 NE1 TRP A 39 15.638 24.000 -2.846 1.00 74.21 N ATOM 560 CE2 TRP A 39 16.292 24.881 -3.669 1.00 52.15 C ATOM 561 CE3 TRP A 39 17.639 24.798 -5.673 1.00 41.43 C ATOM 562 CZ2 TRP A 39 16.400 26.267 -3.599 1.00 4.21 C ATOM 563 CZ3 TRP A 39 17.744 26.175 -5.600 1.00 21.35 C ATOM 564 CH2 TRP A 39 17.128 26.896 -4.570 1.00 62.42 C ATOM 0 H TRP A 39 18.280 21.576 -2.873 1.00 1.04 H new ATOM 0 HA TRP A 39 18.572 20.074 -5.401 1.00 71.10 H new ATOM 0 HB2 TRP A 39 17.004 21.824 -6.319 1.00 61.05 H new ATOM 0 HB3 TRP A 39 16.266 20.760 -5.138 1.00 61.05 H new ATOM 0 HD1 TRP A 39 15.402 21.835 -2.876 1.00 40.04 H new ATOM 0 HE1 TRP A 39 15.107 24.251 -2.012 1.00 74.21 H new ATOM 0 HE3 TRP A 39 18.118 24.251 -6.472 1.00 41.43 H new ATOM 0 HZ2 TRP A 39 15.925 26.826 -2.806 1.00 4.21 H new ATOM 0 HZ3 TRP A 39 18.312 26.704 -6.351 1.00 21.35 H new ATOM 0 HH2 TRP A 39 17.230 27.971 -4.542 1.00 62.42 H new ATOM 575 N ARG A 40 19.816 21.951 -6.581 1.00 15.10 N ATOM 576 CA ARG A 40 20.703 22.931 -7.185 1.00 61.03 C ATOM 577 C ARG A 40 20.193 23.325 -8.563 1.00 54.24 C ATOM 578 O ARG A 40 19.872 22.462 -9.382 1.00 13.25 O ATOM 579 CB ARG A 40 22.134 22.396 -7.299 1.00 5.24 C ATOM 580 CG ARG A 40 22.919 22.447 -5.998 1.00 52.34 C ATOM 581 CD ARG A 40 22.961 23.858 -5.432 1.00 31.33 C ATOM 582 NE ARG A 40 23.445 24.831 -6.411 1.00 23.32 N ATOM 583 CZ ARG A 40 22.909 26.040 -6.592 1.00 30.25 C ATOM 584 NH1 ARG A 40 21.887 26.447 -5.841 1.00 71.53 N ATOM 585 NH2 ARG A 40 23.402 26.847 -7.522 1.00 14.54 N ATOM 0 H ARG A 40 19.506 21.221 -7.222 1.00 15.10 H new ATOM 0 HA ARG A 40 20.716 23.808 -6.538 1.00 61.03 H new ATOM 0 HB2 ARG A 40 22.098 21.365 -7.650 1.00 5.24 H new ATOM 0 HB3 ARG A 40 22.667 22.972 -8.056 1.00 5.24 H new ATOM 0 HG2 ARG A 40 22.465 21.775 -5.270 1.00 52.34 H new ATOM 0 HG3 ARG A 40 23.935 22.092 -6.170 1.00 52.34 H new ATOM 0 HD2 ARG A 40 21.963 24.145 -5.100 1.00 31.33 H new ATOM 0 HD3 ARG A 40 23.607 23.877 -4.554 1.00 31.33 H new ATOM 0 HE ARG A 40 24.242 24.569 -6.992 1.00 23.32 H new ATOM 0 HH11 ARG A 40 21.507 25.833 -5.120 1.00 71.53 H new ATOM 0 HH12 ARG A 40 21.484 27.373 -5.987 1.00 71.53 H new ATOM 0 HH21 ARG A 40 24.188 26.543 -8.096 1.00 14.54 H new ATOM 0 HH22 ARG A 40 22.995 27.772 -7.663 1.00 14.54 H new ATOM 599 N VAL A 41 20.096 24.625 -8.803 1.00 40.24 N ATOM 600 CA VAL A 41 19.724 25.130 -10.116 1.00 71.24 C ATOM 601 C VAL A 41 20.978 25.317 -10.956 1.00 31.12 C ATOM 602 O VAL A 41 21.760 26.240 -10.728 1.00 65.41 O ATOM 603 CB VAL A 41 18.949 26.468 -10.030 1.00 61.45 C ATOM 604 CG1 VAL A 41 18.618 26.995 -11.421 1.00 25.00 C ATOM 605 CG2 VAL A 41 17.678 26.296 -9.212 1.00 14.32 C ATOM 0 H VAL A 41 20.270 25.349 -8.106 1.00 40.24 H new ATOM 0 HA VAL A 41 19.062 24.399 -10.579 1.00 71.24 H new ATOM 0 HB VAL A 41 19.587 27.198 -9.532 1.00 61.45 H new ATOM 0 HG11 VAL A 41 18.074 27.935 -11.334 1.00 25.00 H new ATOM 0 HG12 VAL A 41 19.541 27.160 -11.977 1.00 25.00 H new ATOM 0 HG13 VAL A 41 18.002 26.267 -11.949 1.00 25.00 H new ATOM 0 HG21 VAL A 41 17.146 27.246 -9.162 1.00 14.32 H new ATOM 0 HG22 VAL A 41 17.041 25.548 -9.683 1.00 14.32 H new ATOM 0 HG23 VAL A 41 17.935 25.971 -8.204 1.00 14.32 H new ATOM 615 N VAL A 42 21.173 24.420 -11.907 1.00 40.32 N ATOM 616 CA VAL A 42 22.365 24.442 -12.742 1.00 63.24 C ATOM 617 C VAL A 42 22.257 25.529 -13.800 1.00 50.15 C ATOM 618 O VAL A 42 23.242 26.193 -14.132 1.00 15.22 O ATOM 619 CB VAL A 42 22.595 23.080 -13.431 1.00 42.14 C ATOM 620 CG1 VAL A 42 23.903 23.078 -14.213 1.00 23.52 C ATOM 621 CG2 VAL A 42 22.577 21.958 -12.405 1.00 52.31 C ATOM 0 H VAL A 42 20.521 23.666 -12.122 1.00 40.32 H new ATOM 0 HA VAL A 42 23.214 24.651 -12.091 1.00 63.24 H new ATOM 0 HB VAL A 42 21.783 22.913 -14.139 1.00 42.14 H new ATOM 0 HG11 VAL A 42 24.041 22.107 -14.689 1.00 23.52 H new ATOM 0 HG12 VAL A 42 23.871 23.855 -14.977 1.00 23.52 H new ATOM 0 HG13 VAL A 42 24.733 23.271 -13.534 1.00 23.52 H new ATOM 0 HG21 VAL A 42 22.740 21.004 -12.906 1.00 52.31 H new ATOM 0 HG22 VAL A 42 23.367 22.123 -11.672 1.00 52.31 H new ATOM 0 HG23 VAL A 42 21.611 21.942 -11.900 1.00 52.31 H new ATOM 631 N HIS A 43 21.052 25.724 -14.306 1.00 32.14 N ATOM 632 CA HIS A 43 20.817 26.700 -15.356 1.00 42.41 C ATOM 633 C HIS A 43 19.369 27.159 -15.313 1.00 1.25 C ATOM 634 O HIS A 43 18.488 26.403 -14.904 1.00 24.14 O ATOM 635 CB HIS A 43 21.142 26.096 -16.732 1.00 4.00 C ATOM 636 CG HIS A 43 21.138 27.098 -17.846 1.00 10.14 C ATOM 637 ND1 HIS A 43 19.989 27.525 -18.472 1.00 72.12 N ATOM 638 CD2 HIS A 43 22.155 27.771 -18.435 1.00 61.44 C ATOM 639 CE1 HIS A 43 20.298 28.419 -19.392 1.00 25.41 C ATOM 640 NE2 HIS A 43 21.605 28.588 -19.393 1.00 3.32 N ATOM 0 H HIS A 43 20.219 25.218 -14.006 1.00 32.14 H new ATOM 0 HA HIS A 43 21.469 27.558 -15.194 1.00 42.41 H new ATOM 0 HB2 HIS A 43 22.121 25.619 -16.688 1.00 4.00 H new ATOM 0 HB3 HIS A 43 20.417 25.314 -16.956 1.00 4.00 H new ATOM 0 HD1 HIS A 43 19.046 27.201 -18.258 1.00 72.12 H new ATOM 0 HD2 HIS A 43 23.204 27.682 -18.196 1.00 61.44 H new ATOM 0 HE1 HIS A 43 19.597 28.928 -20.037 1.00 25.41 H new ATOM 649 N GLY A 44 19.134 28.393 -15.728 1.00 64.42 N ATOM 650 CA GLY A 44 17.787 28.921 -15.778 1.00 40.31 C ATOM 651 C GLY A 44 17.020 28.433 -16.988 1.00 11.43 C ATOM 652 O GLY A 44 17.306 27.359 -17.524 1.00 14.32 O ATOM 0 H GLY A 44 19.858 29.043 -16.033 1.00 64.42 H new ATOM 0 HA2 GLY A 44 17.253 28.633 -14.872 1.00 40.31 H new ATOM 0 HA3 GLY A 44 17.827 30.010 -15.792 1.00 40.31 H new ATOM 656 N GLU A 45 16.084 29.250 -17.448 1.00 41.53 N ATOM 657 CA GLU A 45 15.172 28.852 -18.507 1.00 24.13 C ATOM 658 C GLU A 45 15.794 29.011 -19.879 1.00 75.21 C ATOM 659 O GLU A 45 15.854 30.098 -20.457 1.00 73.32 O ATOM 660 CB GLU A 45 13.854 29.625 -18.420 1.00 41.13 C ATOM 661 CG GLU A 45 13.919 30.812 -17.492 1.00 22.15 C ATOM 662 CD GLU A 45 14.807 31.936 -17.993 1.00 40.03 C ATOM 663 OE1 GLU A 45 14.435 32.614 -18.974 1.00 54.25 O ATOM 664 OE2 GLU A 45 15.884 32.149 -17.389 1.00 61.15 O ATOM 0 H GLU A 45 15.937 30.198 -17.101 1.00 41.53 H new ATOM 0 HA GLU A 45 14.960 27.793 -18.363 1.00 24.13 H new ATOM 0 HB2 GLU A 45 13.575 29.967 -19.417 1.00 41.13 H new ATOM 0 HB3 GLU A 45 13.067 28.951 -18.082 1.00 41.13 H new ATOM 0 HG2 GLU A 45 12.911 31.198 -17.341 1.00 22.15 H new ATOM 0 HG3 GLU A 45 14.283 30.481 -16.519 1.00 22.15 H new ATOM 671 N ALA A 46 16.277 27.901 -20.363 1.00 42.34 N ATOM 672 CA ALA A 46 16.747 27.767 -21.734 1.00 4.43 C ATOM 673 C ALA A 46 15.961 26.660 -22.410 1.00 3.13 C ATOM 674 O ALA A 46 15.307 25.887 -21.720 1.00 72.05 O ATOM 675 CB ALA A 46 18.237 27.467 -21.774 1.00 74.23 C ATOM 0 H ALA A 46 16.361 27.044 -19.816 1.00 42.34 H new ATOM 0 HA ALA A 46 16.591 28.707 -22.263 1.00 4.43 H new ATOM 0 HB1 ALA A 46 18.561 27.372 -22.810 1.00 74.23 H new ATOM 0 HB2 ALA A 46 18.785 28.279 -21.295 1.00 74.23 H new ATOM 0 HB3 ALA A 46 18.435 26.535 -21.245 1.00 74.23 H new ATOM 681 N SER A 47 16.038 26.576 -23.741 1.00 52.43 N ATOM 682 CA SER A 47 15.263 25.594 -24.506 1.00 21.43 C ATOM 683 C SER A 47 15.298 24.214 -23.841 1.00 15.04 C ATOM 684 O SER A 47 16.365 23.719 -23.478 1.00 74.34 O ATOM 685 CB SER A 47 15.799 25.499 -25.937 1.00 75.44 C ATOM 686 OG SER A 47 15.789 26.771 -26.569 1.00 33.40 O ATOM 0 H SER A 47 16.631 27.178 -24.313 1.00 52.43 H new ATOM 0 HA SER A 47 14.227 25.931 -24.530 1.00 21.43 H new ATOM 0 HB2 SER A 47 16.815 25.104 -25.923 1.00 75.44 H new ATOM 0 HB3 SER A 47 15.192 24.799 -26.511 1.00 75.44 H new ATOM 0 HG SER A 47 16.137 26.686 -27.481 1.00 33.40 H new ATOM 692 N ARG A 48 14.118 23.617 -23.673 1.00 24.40 N ATOM 693 CA ARG A 48 13.969 22.332 -22.985 1.00 63.42 C ATOM 694 C ARG A 48 14.930 21.281 -23.545 1.00 12.32 C ATOM 695 O ARG A 48 15.648 20.619 -22.791 1.00 12.12 O ATOM 696 CB ARG A 48 12.524 21.846 -23.122 1.00 31.24 C ATOM 697 CG ARG A 48 12.250 20.498 -22.471 1.00 63.13 C ATOM 698 CD ARG A 48 12.279 20.577 -20.955 1.00 15.30 C ATOM 699 NE ARG A 48 11.876 19.310 -20.344 1.00 30.40 N ATOM 700 CZ ARG A 48 10.727 19.127 -19.692 1.00 64.14 C ATOM 701 NH1 ARG A 48 9.874 20.131 -19.545 1.00 2.12 N ATOM 702 NH2 ARG A 48 10.435 17.933 -19.192 1.00 42.11 N ATOM 0 H ARG A 48 13.238 24.009 -24.009 1.00 24.40 H new ATOM 0 HA ARG A 48 14.213 22.477 -21.933 1.00 63.42 H new ATOM 0 HB2 ARG A 48 11.860 22.590 -22.682 1.00 31.24 H new ATOM 0 HB3 ARG A 48 12.274 21.782 -24.181 1.00 31.24 H new ATOM 0 HG2 ARG A 48 11.276 20.131 -22.795 1.00 63.13 H new ATOM 0 HG3 ARG A 48 12.992 19.775 -22.810 1.00 63.13 H new ATOM 0 HD2 ARG A 48 13.283 20.839 -20.622 1.00 15.30 H new ATOM 0 HD3 ARG A 48 11.614 21.372 -20.618 1.00 15.30 H new ATOM 0 HE ARG A 48 12.513 18.517 -20.422 1.00 30.40 H new ATOM 0 HH11 ARG A 48 10.095 21.049 -19.931 1.00 2.12 H new ATOM 0 HH12 ARG A 48 8.997 19.986 -19.046 1.00 2.12 H new ATOM 0 HH21 ARG A 48 11.089 17.158 -19.307 1.00 42.11 H new ATOM 0 HH22 ARG A 48 9.557 17.790 -18.693 1.00 42.11 H new ATOM 716 N ALA A 49 14.950 21.148 -24.867 1.00 71.21 N ATOM 717 CA ALA A 49 15.808 20.174 -25.527 1.00 23.33 C ATOM 718 C ALA A 49 17.279 20.509 -25.308 1.00 12.42 C ATOM 719 O ALA A 49 18.106 19.618 -25.123 1.00 4.23 O ATOM 720 CB ALA A 49 15.492 20.108 -27.014 1.00 24.31 C ATOM 0 H ALA A 49 14.379 21.705 -25.503 1.00 71.21 H new ATOM 0 HA ALA A 49 15.614 19.196 -25.087 1.00 23.33 H new ATOM 0 HB1 ALA A 49 16.142 19.375 -27.492 1.00 24.31 H new ATOM 0 HB2 ALA A 49 14.451 19.814 -27.152 1.00 24.31 H new ATOM 0 HB3 ALA A 49 15.656 21.087 -27.465 1.00 24.31 H new ATOM 726 N ALA A 50 17.590 21.801 -25.307 1.00 1.42 N ATOM 727 CA ALA A 50 18.957 22.258 -25.103 1.00 72.11 C ATOM 728 C ALA A 50 19.414 21.966 -23.681 1.00 72.52 C ATOM 729 O ALA A 50 20.567 21.614 -23.452 1.00 11.34 O ATOM 730 CB ALA A 50 19.069 23.744 -25.406 1.00 20.13 C ATOM 0 H ALA A 50 16.912 22.550 -25.446 1.00 1.42 H new ATOM 0 HA ALA A 50 19.608 21.715 -25.788 1.00 72.11 H new ATOM 0 HB1 ALA A 50 20.097 24.071 -25.249 1.00 20.13 H new ATOM 0 HB2 ALA A 50 18.785 23.926 -26.442 1.00 20.13 H new ATOM 0 HB3 ALA A 50 18.406 24.301 -24.744 1.00 20.13 H new ATOM 736 N CYS A 51 18.501 22.109 -22.730 1.00 34.11 N ATOM 737 CA CYS A 51 18.795 21.799 -21.340 1.00 53.12 C ATOM 738 C CYS A 51 19.058 20.305 -21.166 1.00 24.13 C ATOM 739 O CYS A 51 20.024 19.912 -20.510 1.00 22.31 O ATOM 740 CB CYS A 51 17.647 22.245 -20.437 1.00 2.53 C ATOM 741 SG CYS A 51 17.384 24.037 -20.411 1.00 11.35 S ATOM 0 H CYS A 51 17.550 22.438 -22.897 1.00 34.11 H new ATOM 0 HA CYS A 51 19.694 22.343 -21.052 1.00 53.12 H new ATOM 0 HB2 CYS A 51 16.729 21.758 -20.766 1.00 2.53 H new ATOM 0 HB3 CYS A 51 17.843 21.902 -19.421 1.00 2.53 H new ATOM 0 HG CYS A 51 16.432 24.348 -21.240 1.00 11.35 H new ATOM 747 N LEU A 52 18.199 19.482 -21.766 1.00 14.24 N ATOM 748 CA LEU A 52 18.377 18.032 -21.743 1.00 14.11 C ATOM 749 C LEU A 52 19.709 17.638 -22.371 1.00 14.41 C ATOM 750 O LEU A 52 20.483 16.886 -21.784 1.00 13.15 O ATOM 751 CB LEU A 52 17.224 17.339 -22.478 1.00 54.05 C ATOM 752 CG LEU A 52 15.881 17.362 -21.751 1.00 21.41 C ATOM 753 CD1 LEU A 52 14.796 16.749 -22.623 1.00 71.20 C ATOM 754 CD2 LEU A 52 15.987 16.611 -20.432 1.00 63.03 C ATOM 0 H LEU A 52 17.372 19.796 -22.274 1.00 14.24 H new ATOM 0 HA LEU A 52 18.377 17.709 -20.702 1.00 14.11 H new ATOM 0 HB2 LEU A 52 17.100 17.811 -23.452 1.00 54.05 H new ATOM 0 HB3 LEU A 52 17.502 16.301 -22.660 1.00 54.05 H new ATOM 0 HG LEU A 52 15.613 18.398 -21.544 1.00 21.41 H new ATOM 0 HD11 LEU A 52 13.845 16.773 -22.091 1.00 71.20 H new ATOM 0 HD12 LEU A 52 14.708 17.318 -23.549 1.00 71.20 H new ATOM 0 HD13 LEU A 52 15.056 15.716 -22.855 1.00 71.20 H new ATOM 0 HD21 LEU A 52 15.024 16.634 -19.922 1.00 63.03 H new ATOM 0 HD22 LEU A 52 16.272 15.577 -20.624 1.00 63.03 H new ATOM 0 HD23 LEU A 52 16.742 17.084 -19.804 1.00 63.03 H new ATOM 766 N ASP A 53 19.974 18.168 -23.554 1.00 61.53 N ATOM 767 CA ASP A 53 21.221 17.891 -24.260 1.00 54.43 C ATOM 768 C ASP A 53 22.422 18.304 -23.412 1.00 63.52 C ATOM 769 O ASP A 53 23.392 17.556 -23.270 1.00 62.44 O ATOM 770 CB ASP A 53 21.236 18.639 -25.593 1.00 40.30 C ATOM 771 CG ASP A 53 22.438 18.297 -26.442 1.00 11.42 C ATOM 772 OD1 ASP A 53 22.413 17.250 -27.121 1.00 63.05 O ATOM 773 OD2 ASP A 53 23.406 19.077 -26.454 1.00 1.13 O ATOM 0 H ASP A 53 19.341 18.796 -24.050 1.00 61.53 H new ATOM 0 HA ASP A 53 21.287 16.819 -24.448 1.00 54.43 H new ATOM 0 HB2 ASP A 53 20.327 18.404 -26.147 1.00 40.30 H new ATOM 0 HB3 ASP A 53 21.225 19.712 -25.403 1.00 40.30 H new ATOM 778 N TYR A 54 22.324 19.495 -22.835 1.00 62.01 N ATOM 779 CA TYR A 54 23.372 20.054 -21.988 1.00 33.33 C ATOM 780 C TYR A 54 23.707 19.118 -20.829 1.00 54.33 C ATOM 781 O TYR A 54 24.868 18.761 -20.621 1.00 52.04 O ATOM 782 CB TYR A 54 22.902 21.411 -21.450 1.00 21.41 C ATOM 783 CG TYR A 54 23.902 22.145 -20.585 1.00 53.34 C ATOM 784 CD1 TYR A 54 24.931 22.881 -21.156 1.00 31.52 C ATOM 785 CD2 TYR A 54 23.801 22.124 -19.196 1.00 62.33 C ATOM 786 CE1 TYR A 54 25.827 23.580 -20.371 1.00 53.11 C ATOM 787 CE2 TYR A 54 24.699 22.815 -18.405 1.00 32.53 C ATOM 788 CZ TYR A 54 25.711 23.540 -18.998 1.00 2.30 C ATOM 789 OH TYR A 54 26.596 24.249 -18.219 1.00 25.04 O ATOM 0 H TYR A 54 21.512 20.104 -22.941 1.00 62.01 H new ATOM 0 HA TYR A 54 24.277 20.179 -22.583 1.00 33.33 H new ATOM 0 HB2 TYR A 54 22.641 22.048 -22.295 1.00 21.41 H new ATOM 0 HB3 TYR A 54 21.990 21.258 -20.873 1.00 21.41 H new ATOM 0 HD1 TYR A 54 25.033 22.908 -22.231 1.00 31.52 H new ATOM 0 HD2 TYR A 54 23.008 21.558 -18.730 1.00 62.33 H new ATOM 0 HE1 TYR A 54 26.616 24.156 -20.831 1.00 53.11 H new ATOM 0 HE2 TYR A 54 24.609 22.787 -17.329 1.00 32.53 H new ATOM 0 HH TYR A 54 26.378 24.117 -17.273 1.00 25.04 H new ATOM 799 N VAL A 55 22.685 18.694 -20.096 1.00 13.21 N ATOM 800 CA VAL A 55 22.886 17.885 -18.902 1.00 73.54 C ATOM 801 C VAL A 55 23.314 16.455 -19.236 1.00 63.52 C ATOM 802 O VAL A 55 24.103 15.853 -18.506 1.00 1.14 O ATOM 803 CB VAL A 55 21.634 17.866 -17.999 1.00 74.32 C ATOM 804 CG1 VAL A 55 21.370 19.252 -17.432 1.00 11.35 C ATOM 805 CG2 VAL A 55 20.416 17.361 -18.754 1.00 3.21 C ATOM 0 H VAL A 55 21.708 18.897 -20.308 1.00 13.21 H new ATOM 0 HA VAL A 55 23.698 18.360 -18.352 1.00 73.54 H new ATOM 0 HB VAL A 55 21.825 17.179 -17.175 1.00 74.32 H new ATOM 0 HG11 VAL A 55 20.484 19.223 -16.797 1.00 11.35 H new ATOM 0 HG12 VAL A 55 22.228 19.573 -16.842 1.00 11.35 H new ATOM 0 HG13 VAL A 55 21.208 19.955 -18.249 1.00 11.35 H new ATOM 0 HG21 VAL A 55 19.551 17.360 -18.090 1.00 3.21 H new ATOM 0 HG22 VAL A 55 20.219 18.013 -19.605 1.00 3.21 H new ATOM 0 HG23 VAL A 55 20.602 16.347 -19.109 1.00 3.21 H new ATOM 815 N GLU A 56 22.802 15.906 -20.335 1.00 10.40 N ATOM 816 CA GLU A 56 23.171 14.553 -20.739 1.00 61.52 C ATOM 817 C GLU A 56 24.601 14.521 -21.268 1.00 34.54 C ATOM 818 O GLU A 56 25.294 13.512 -21.138 1.00 73.34 O ATOM 819 CB GLU A 56 22.200 14.001 -21.783 1.00 74.35 C ATOM 820 CG GLU A 56 20.781 13.856 -21.259 1.00 71.41 C ATOM 821 CD GLU A 56 19.896 13.059 -22.188 1.00 3.14 C ATOM 822 OE1 GLU A 56 19.595 13.543 -23.297 1.00 13.14 O ATOM 823 OE2 GLU A 56 19.492 11.939 -21.806 1.00 12.33 O ATOM 0 H GLU A 56 22.138 16.371 -20.955 1.00 10.40 H new ATOM 0 HA GLU A 56 23.113 13.915 -19.857 1.00 61.52 H new ATOM 0 HB2 GLU A 56 22.195 14.661 -22.651 1.00 74.35 H new ATOM 0 HB3 GLU A 56 22.556 13.029 -22.124 1.00 74.35 H new ATOM 0 HG2 GLU A 56 20.806 13.372 -20.283 1.00 71.41 H new ATOM 0 HG3 GLU A 56 20.349 14.846 -21.112 1.00 71.41 H new ATOM 830 N LYS A 57 25.043 15.631 -21.853 1.00 70.11 N ATOM 831 CA LYS A 57 26.424 15.760 -22.303 1.00 60.22 C ATOM 832 C LYS A 57 27.378 15.953 -21.129 1.00 10.13 C ATOM 833 O LYS A 57 28.592 15.828 -21.282 1.00 34.22 O ATOM 834 CB LYS A 57 26.571 16.901 -23.306 1.00 64.25 C ATOM 835 CG LYS A 57 26.182 16.500 -24.720 1.00 75.40 C ATOM 836 CD LYS A 57 26.264 17.670 -25.681 1.00 11.15 C ATOM 837 CE LYS A 57 26.130 17.213 -27.123 1.00 5.52 C ATOM 838 NZ LYS A 57 24.908 16.396 -27.341 1.00 33.13 N ATOM 0 H LYS A 57 24.465 16.453 -22.026 1.00 70.11 H new ATOM 0 HA LYS A 57 26.691 14.829 -22.802 1.00 60.22 H new ATOM 0 HB2 LYS A 57 25.951 17.739 -22.988 1.00 64.25 H new ATOM 0 HB3 LYS A 57 27.604 17.249 -23.304 1.00 64.25 H new ATOM 0 HG2 LYS A 57 26.838 15.700 -25.064 1.00 75.40 H new ATOM 0 HG3 LYS A 57 25.167 16.102 -24.718 1.00 75.40 H new ATOM 0 HD2 LYS A 57 25.477 18.388 -25.451 1.00 11.15 H new ATOM 0 HD3 LYS A 57 27.215 18.186 -25.548 1.00 11.15 H new ATOM 0 HE2 LYS A 57 26.104 18.084 -27.778 1.00 5.52 H new ATOM 0 HE3 LYS A 57 27.009 16.631 -27.401 1.00 5.52 H new ATOM 0 HZ1 LYS A 57 24.641 16.432 -28.346 1.00 33.13 H new ATOM 0 HZ2 LYS A 57 25.096 15.410 -27.067 1.00 33.13 H new ATOM 0 HZ3 LYS A 57 24.130 16.773 -26.763 1.00 33.13 H new ATOM 852 N ASN A 58 26.835 16.285 -19.964 1.00 5.40 N ATOM 853 CA ASN A 58 27.633 16.310 -18.744 1.00 62.23 C ATOM 854 C ASN A 58 27.959 14.882 -18.336 1.00 64.30 C ATOM 855 O ASN A 58 29.097 14.569 -17.984 1.00 2.42 O ATOM 856 CB ASN A 58 26.904 17.038 -17.610 1.00 60.13 C ATOM 857 CG ASN A 58 27.050 18.550 -17.683 1.00 21.12 C ATOM 858 OD1 ASN A 58 27.174 19.088 -18.888 1.00 45.43 O flip ATOM 859 ND2 ASN A 58 27.048 19.231 -16.659 1.00 73.12 N flip ATOM 0 H ASN A 58 25.855 16.538 -19.838 1.00 5.40 H new ATOM 0 HA ASN A 58 28.555 16.858 -18.940 1.00 62.23 H new ATOM 0 HB2 ASN A 58 25.846 16.779 -17.641 1.00 60.13 H new ATOM 0 HB3 ASN A 58 27.290 16.687 -16.653 1.00 60.13 H new ATOM 0 HD21 ASN A 58 26.950 18.782 -15.748 1.00 73.12 H new ATOM 0 HD22 ASN A 58 27.144 20.245 -16.720 1.00 73.12 H new ATOM 866 N TRP A 59 26.939 14.024 -18.390 1.00 74.44 N ATOM 867 CA TRP A 59 27.113 12.577 -18.241 1.00 50.11 C ATOM 868 C TRP A 59 27.758 12.223 -16.894 1.00 20.21 C ATOM 869 O TRP A 59 28.400 11.185 -16.741 1.00 31.04 O ATOM 870 CB TRP A 59 27.951 12.054 -19.418 1.00 2.31 C ATOM 871 CG TRP A 59 27.951 10.565 -19.564 1.00 72.22 C ATOM 872 CD1 TRP A 59 29.024 9.738 -19.429 1.00 32.41 C ATOM 873 CD2 TRP A 59 26.833 9.730 -19.880 1.00 42.01 C ATOM 874 NE1 TRP A 59 28.644 8.439 -19.636 1.00 45.01 N ATOM 875 CE2 TRP A 59 27.302 8.405 -19.916 1.00 71.53 C ATOM 876 CE3 TRP A 59 25.480 9.974 -20.139 1.00 43.25 C ATOM 877 CZ2 TRP A 59 26.470 7.327 -20.192 1.00 24.34 C ATOM 878 CZ3 TRP A 59 24.653 8.902 -20.415 1.00 73.44 C ATOM 879 CH2 TRP A 59 25.150 7.593 -20.441 1.00 44.54 C ATOM 0 H TRP A 59 25.971 14.311 -18.538 1.00 74.44 H new ATOM 0 HA TRP A 59 26.135 12.096 -18.252 1.00 50.11 H new ATOM 0 HB2 TRP A 59 27.576 12.497 -20.340 1.00 2.31 H new ATOM 0 HB3 TRP A 59 28.979 12.395 -19.296 1.00 2.31 H new ATOM 0 HD1 TRP A 59 30.028 10.059 -19.193 1.00 32.41 H new ATOM 0 HE1 TRP A 59 29.260 7.627 -19.589 1.00 45.01 H new ATOM 0 HE3 TRP A 59 25.089 10.981 -20.124 1.00 43.25 H new ATOM 0 HZ2 TRP A 59 26.850 6.316 -20.210 1.00 24.34 H new ATOM 0 HZ3 TRP A 59 23.606 9.077 -20.614 1.00 73.44 H new ATOM 0 HH2 TRP A 59 24.478 6.777 -20.662 1.00 44.54 H new ATOM 890 N THR A 60 27.565 13.079 -15.910 1.00 25.34 N ATOM 891 CA THR A 60 28.141 12.862 -14.598 1.00 53.12 C ATOM 892 C THR A 60 27.050 12.877 -13.532 1.00 52.32 C ATOM 893 O THR A 60 26.045 13.573 -13.682 1.00 3.14 O ATOM 894 CB THR A 60 29.186 13.952 -14.278 1.00 72.14 C ATOM 895 OG1 THR A 60 30.084 14.100 -15.385 1.00 12.01 O ATOM 896 CG2 THR A 60 29.985 13.610 -13.029 1.00 24.55 C ATOM 0 H THR A 60 27.013 13.932 -15.995 1.00 25.34 H new ATOM 0 HA THR A 60 28.631 11.888 -14.599 1.00 53.12 H new ATOM 0 HB THR A 60 28.651 14.885 -14.099 1.00 72.14 H new ATOM 0 HG1 THR A 60 29.587 14.411 -16.170 1.00 12.01 H new ATOM 0 HG21 THR A 60 30.711 14.399 -12.834 1.00 24.55 H new ATOM 0 HG22 THR A 60 29.310 13.520 -12.178 1.00 24.55 H new ATOM 0 HG23 THR A 60 30.508 12.665 -13.179 1.00 24.55 H new ATOM 904 N ASP A 61 27.235 12.083 -12.483 1.00 33.13 N ATOM 905 CA ASP A 61 26.341 12.114 -11.331 1.00 24.12 C ATOM 906 C ASP A 61 26.508 13.458 -10.633 1.00 25.15 C ATOM 907 O ASP A 61 27.450 13.659 -9.861 1.00 35.34 O ATOM 908 CB ASP A 61 26.667 10.958 -10.381 1.00 2.25 C ATOM 909 CG ASP A 61 25.597 10.725 -9.328 1.00 11.43 C ATOM 910 OD1 ASP A 61 24.567 10.103 -9.655 1.00 12.31 O ATOM 911 OD2 ASP A 61 25.799 11.126 -8.164 1.00 4.15 O ATOM 0 H ASP A 61 27.997 11.409 -12.407 1.00 33.13 H new ATOM 0 HA ASP A 61 25.306 11.997 -11.651 1.00 24.12 H new ATOM 0 HB2 ASP A 61 26.799 10.046 -10.962 1.00 2.25 H new ATOM 0 HB3 ASP A 61 27.616 11.161 -9.885 1.00 2.25 H new ATOM 916 N LEU A 62 25.621 14.387 -10.952 1.00 21.55 N ATOM 917 CA LEU A 62 25.815 15.782 -10.592 1.00 3.00 C ATOM 918 C LEU A 62 25.402 16.056 -9.154 1.00 51.34 C ATOM 919 O LEU A 62 24.221 16.174 -8.840 1.00 51.51 O ATOM 920 CB LEU A 62 25.051 16.696 -11.555 1.00 71.54 C ATOM 921 CG LEU A 62 25.304 18.196 -11.378 1.00 32.22 C ATOM 922 CD1 LEU A 62 26.789 18.510 -11.494 1.00 31.24 C ATOM 923 CD2 LEU A 62 24.515 18.986 -12.409 1.00 22.21 C ATOM 0 H LEU A 62 24.757 14.199 -11.461 1.00 21.55 H new ATOM 0 HA LEU A 62 26.880 15.997 -10.673 1.00 3.00 H new ATOM 0 HB2 LEU A 62 25.312 16.419 -12.576 1.00 71.54 H new ATOM 0 HB3 LEU A 62 23.984 16.509 -11.437 1.00 71.54 H new ATOM 0 HG LEU A 62 24.971 18.486 -10.382 1.00 32.22 H new ATOM 0 HD11 LEU A 62 26.946 19.581 -11.365 1.00 31.24 H new ATOM 0 HD12 LEU A 62 27.337 17.968 -10.723 1.00 31.24 H new ATOM 0 HD13 LEU A 62 27.149 18.206 -12.477 1.00 31.24 H new ATOM 0 HD21 LEU A 62 24.703 20.051 -12.273 1.00 22.21 H new ATOM 0 HD22 LEU A 62 24.825 18.688 -13.411 1.00 22.21 H new ATOM 0 HD23 LEU A 62 23.451 18.787 -12.284 1.00 22.21 H new ATOM 935 N ARG A 63 26.395 16.150 -8.288 1.00 42.45 N ATOM 936 CA ARG A 63 26.166 16.450 -6.889 1.00 32.00 C ATOM 937 C ARG A 63 26.843 17.770 -6.541 1.00 0.32 C ATOM 938 O ARG A 63 27.939 18.056 -7.029 1.00 73.24 O ATOM 939 CB ARG A 63 26.709 15.321 -6.014 1.00 41.05 C ATOM 940 CG ARG A 63 26.299 13.943 -6.504 1.00 42.42 C ATOM 941 CD ARG A 63 26.835 12.841 -5.610 1.00 14.22 C ATOM 942 NE ARG A 63 26.092 12.731 -4.358 1.00 25.55 N ATOM 943 CZ ARG A 63 26.139 11.664 -3.571 1.00 25.12 C ATOM 944 NH1 ARG A 63 26.897 10.625 -3.903 1.00 1.23 N ATOM 945 NH2 ARG A 63 25.405 11.621 -2.468 1.00 53.21 N ATOM 0 H ARG A 63 27.376 16.021 -8.534 1.00 42.45 H new ATOM 0 HA ARG A 63 25.095 16.539 -6.705 1.00 32.00 H new ATOM 0 HB2 ARG A 63 27.797 15.382 -5.985 1.00 41.05 H new ATOM 0 HB3 ARG A 63 26.355 15.458 -4.992 1.00 41.05 H new ATOM 0 HG2 ARG A 63 25.212 13.881 -6.544 1.00 42.42 H new ATOM 0 HG3 ARG A 63 26.664 13.796 -7.520 1.00 42.42 H new ATOM 0 HD2 ARG A 63 26.789 11.891 -6.142 1.00 14.22 H new ATOM 0 HD3 ARG A 63 27.885 13.033 -5.391 1.00 14.22 H new ATOM 0 HE ARG A 63 25.506 13.516 -4.073 1.00 25.55 H new ATOM 0 HH11 ARG A 63 27.444 10.647 -4.764 1.00 1.23 H new ATOM 0 HH12 ARG A 63 26.932 9.805 -3.297 1.00 1.23 H new ATOM 0 HH21 ARG A 63 24.804 12.408 -2.224 1.00 53.21 H new ATOM 0 HH22 ARG A 63 25.441 10.801 -1.863 1.00 53.21 H new ATOM 959 N PRO A 64 26.191 18.600 -5.717 1.00 42.03 N ATOM 960 CA PRO A 64 26.710 19.922 -5.352 1.00 50.30 C ATOM 961 C PRO A 64 28.036 19.852 -4.600 1.00 15.45 C ATOM 962 O PRO A 64 28.185 19.090 -3.641 1.00 33.12 O ATOM 963 CB PRO A 64 25.616 20.511 -4.454 1.00 33.03 C ATOM 964 CG PRO A 64 24.829 19.338 -3.976 1.00 44.51 C ATOM 965 CD PRO A 64 24.895 18.319 -5.076 1.00 5.45 C ATOM 0 HA PRO A 64 26.922 20.523 -6.237 1.00 50.30 H new ATOM 0 HB2 PRO A 64 26.047 21.063 -3.619 1.00 33.03 H new ATOM 0 HB3 PRO A 64 24.987 21.209 -5.006 1.00 33.03 H new ATOM 0 HG2 PRO A 64 25.245 18.940 -3.050 1.00 44.51 H new ATOM 0 HG3 PRO A 64 23.797 19.620 -3.767 1.00 44.51 H new ATOM 0 HD2 PRO A 64 24.851 17.302 -4.686 1.00 5.45 H new ATOM 0 HD3 PRO A 64 24.067 18.428 -5.776 1.00 5.45 H new ATOM 973 N LYS A 65 29.001 20.639 -5.056 1.00 63.55 N ATOM 974 CA LYS A 65 30.286 20.745 -4.382 1.00 13.53 C ATOM 975 C LYS A 65 30.222 21.822 -3.307 1.00 63.33 C ATOM 976 O LYS A 65 29.490 22.805 -3.441 1.00 73.10 O ATOM 977 CB LYS A 65 31.419 21.068 -5.370 1.00 62.35 C ATOM 978 CG LYS A 65 31.920 19.873 -6.174 1.00 44.04 C ATOM 979 CD LYS A 65 30.907 19.403 -7.206 1.00 24.10 C ATOM 980 CE LYS A 65 31.450 18.251 -8.045 1.00 53.25 C ATOM 981 NZ LYS A 65 32.691 18.626 -8.774 1.00 31.21 N ATOM 0 H LYS A 65 28.917 21.215 -5.893 1.00 63.55 H new ATOM 0 HA LYS A 65 30.501 19.779 -3.925 1.00 13.53 H new ATOM 0 HB2 LYS A 65 31.072 21.835 -6.062 1.00 62.35 H new ATOM 0 HB3 LYS A 65 32.256 21.493 -4.816 1.00 62.35 H new ATOM 0 HG2 LYS A 65 32.849 20.141 -6.677 1.00 44.04 H new ATOM 0 HG3 LYS A 65 32.150 19.052 -5.495 1.00 44.04 H new ATOM 0 HD2 LYS A 65 29.994 19.087 -6.702 1.00 24.10 H new ATOM 0 HD3 LYS A 65 30.640 20.234 -7.859 1.00 24.10 H new ATOM 0 HE2 LYS A 65 31.654 17.397 -7.399 1.00 53.25 H new ATOM 0 HE3 LYS A 65 30.691 17.935 -8.761 1.00 53.25 H new ATOM 0 HZ1 LYS A 65 32.884 17.923 -9.515 1.00 31.21 H new ATOM 0 HZ2 LYS A 65 32.568 19.563 -9.209 1.00 31.21 H new ATOM 0 HZ3 LYS A 65 33.489 18.655 -8.108 1.00 31.21 H new ATOM 995 N SER A 66 30.987 21.633 -2.243 1.00 23.25 N ATOM 996 CA SER A 66 31.013 22.582 -1.144 1.00 12.53 C ATOM 997 C SER A 66 31.884 23.785 -1.503 1.00 33.45 C ATOM 998 O SER A 66 33.110 23.740 -1.396 1.00 53.54 O ATOM 999 CB SER A 66 31.531 21.895 0.123 1.00 3.34 C ATOM 1000 OG SER A 66 31.351 22.708 1.273 1.00 43.50 O ATOM 0 H SER A 66 31.600 20.827 -2.118 1.00 23.25 H new ATOM 0 HA SER A 66 30.001 22.940 -0.957 1.00 12.53 H new ATOM 0 HB2 SER A 66 31.010 20.948 0.262 1.00 3.34 H new ATOM 0 HB3 SER A 66 32.589 21.662 0.004 1.00 3.34 H new ATOM 0 HG SER A 66 31.691 22.238 2.063 1.00 43.50 H new ATOM 1006 N LEU A 67 31.243 24.847 -1.972 1.00 44.51 N ATOM 1007 CA LEU A 67 31.941 26.068 -2.334 1.00 12.45 C ATOM 1008 C LEU A 67 31.142 27.281 -1.882 1.00 63.32 C ATOM 1009 O LEU A 67 29.935 27.184 -1.652 1.00 55.43 O ATOM 1010 CB LEU A 67 32.200 26.107 -3.851 1.00 61.34 C ATOM 1011 CG LEU A 67 30.968 25.932 -4.756 1.00 40.13 C ATOM 1012 CD1 LEU A 67 30.220 27.247 -4.937 1.00 43.43 C ATOM 1013 CD2 LEU A 67 31.385 25.377 -6.108 1.00 40.31 C ATOM 0 H LEU A 67 30.233 24.885 -2.111 1.00 44.51 H new ATOM 0 HA LEU A 67 32.906 26.089 -1.828 1.00 12.45 H new ATOM 0 HB2 LEU A 67 32.671 27.060 -4.094 1.00 61.34 H new ATOM 0 HB3 LEU A 67 32.919 25.325 -4.096 1.00 61.34 H new ATOM 0 HG LEU A 67 30.294 25.226 -4.271 1.00 40.13 H new ATOM 0 HD11 LEU A 67 29.355 27.088 -5.581 1.00 43.43 H new ATOM 0 HD12 LEU A 67 29.886 27.612 -3.966 1.00 43.43 H new ATOM 0 HD13 LEU A 67 30.882 27.983 -5.393 1.00 43.43 H new ATOM 0 HD21 LEU A 67 30.505 25.258 -6.739 1.00 40.31 H new ATOM 0 HD22 LEU A 67 32.083 26.066 -6.585 1.00 40.31 H new ATOM 0 HD23 LEU A 67 31.867 24.409 -5.971 1.00 40.31 H new ATOM 1025 N ARG A 68 31.815 28.411 -1.737 1.00 14.23 N ATOM 1026 CA ARG A 68 31.156 29.647 -1.338 1.00 22.22 C ATOM 1027 C ARG A 68 31.554 30.775 -2.282 1.00 73.40 C ATOM 1028 O ARG A 68 32.742 31.071 -2.446 1.00 12.31 O ATOM 1029 CB ARG A 68 31.523 30.018 0.104 1.00 54.24 C ATOM 1030 CG ARG A 68 31.380 28.874 1.094 1.00 45.11 C ATOM 1031 CD ARG A 68 31.623 29.340 2.519 1.00 35.31 C ATOM 1032 NE ARG A 68 31.781 28.219 3.445 1.00 31.44 N ATOM 1033 CZ ARG A 68 31.044 28.044 4.542 1.00 50.02 C ATOM 1034 NH1 ARG A 68 30.022 28.854 4.801 1.00 73.03 N ATOM 1035 NH2 ARG A 68 31.319 27.039 5.364 1.00 42.20 N ATOM 0 H ARG A 68 32.820 28.499 -1.890 1.00 14.23 H new ATOM 0 HA ARG A 68 30.078 29.496 -1.391 1.00 22.22 H new ATOM 0 HB2 ARG A 68 32.552 30.376 0.125 1.00 54.24 H new ATOM 0 HB3 ARG A 68 30.891 30.845 0.427 1.00 54.24 H new ATOM 0 HG2 ARG A 68 30.381 28.446 1.015 1.00 45.11 H new ATOM 0 HG3 ARG A 68 32.087 28.083 0.843 1.00 45.11 H new ATOM 0 HD2 ARG A 68 32.517 29.963 2.549 1.00 35.31 H new ATOM 0 HD3 ARG A 68 30.789 29.963 2.843 1.00 35.31 H new ATOM 0 HE ARG A 68 32.501 27.527 3.238 1.00 31.44 H new ATOM 0 HH11 ARG A 68 29.798 29.614 4.159 1.00 73.03 H new ATOM 0 HH12 ARG A 68 29.462 28.715 5.642 1.00 73.03 H new ATOM 0 HH21 ARG A 68 32.091 26.406 5.155 1.00 42.20 H new ATOM 0 HH22 ARG A 68 30.759 26.900 6.205 1.00 42.20 H new ATOM 1049 N ASP A 69 30.567 31.387 -2.914 1.00 43.42 N ATOM 1050 CA ASP A 69 30.819 32.478 -3.844 1.00 35.03 C ATOM 1051 C ASP A 69 30.646 33.825 -3.158 1.00 44.35 C ATOM 1052 O ASP A 69 29.764 33.998 -2.315 1.00 24.24 O ATOM 1053 CB ASP A 69 29.889 32.388 -5.058 1.00 15.24 C ATOM 1054 CG ASP A 69 30.044 33.574 -5.989 1.00 5.01 C ATOM 1055 OD1 ASP A 69 31.179 33.824 -6.450 1.00 2.22 O ATOM 1056 OD2 ASP A 69 29.040 34.269 -6.246 1.00 51.34 O ATOM 0 H ASP A 69 29.582 31.148 -2.801 1.00 43.42 H new ATOM 0 HA ASP A 69 31.850 32.389 -4.187 1.00 35.03 H new ATOM 0 HB2 ASP A 69 30.098 31.469 -5.606 1.00 15.24 H new ATOM 0 HB3 ASP A 69 28.855 32.328 -4.718 1.00 15.24 H new ATOM 1061 N ALA A 70 31.499 34.770 -3.522 1.00 31.34 N ATOM 1062 CA ALA A 70 31.441 36.110 -2.969 1.00 34.42 C ATOM 1063 C ALA A 70 30.618 37.017 -3.877 1.00 3.43 C ATOM 1064 O ALA A 70 31.149 37.665 -4.779 1.00 31.54 O ATOM 1065 CB ALA A 70 32.845 36.667 -2.769 1.00 74.14 C ATOM 0 H ALA A 70 32.245 34.630 -4.204 1.00 31.34 H new ATOM 0 HA ALA A 70 30.955 36.068 -1.994 1.00 34.42 H new ATOM 0 HB1 ALA A 70 32.782 37.673 -2.354 1.00 74.14 H new ATOM 0 HB2 ALA A 70 33.397 36.025 -2.082 1.00 74.14 H new ATOM 0 HB3 ALA A 70 33.362 36.702 -3.728 1.00 74.14 H new ATOM 1071 N MET A 71 29.316 37.030 -3.655 1.00 45.13 N ATOM 1072 CA MET A 71 28.420 37.866 -4.436 1.00 4.24 C ATOM 1073 C MET A 71 28.302 39.222 -3.758 1.00 23.21 C ATOM 1074 O MET A 71 27.536 39.392 -2.808 1.00 22.34 O ATOM 1075 CB MET A 71 27.043 37.201 -4.565 1.00 35.40 C ATOM 1076 CG MET A 71 26.175 37.746 -5.697 1.00 23.12 C ATOM 1077 SD MET A 71 25.565 39.420 -5.408 1.00 51.33 S ATOM 1078 CE MET A 71 24.616 39.694 -6.905 1.00 40.34 C ATOM 0 H MET A 71 28.854 36.470 -2.939 1.00 45.13 H new ATOM 0 HA MET A 71 28.821 37.997 -5.441 1.00 4.24 H new ATOM 0 HB2 MET A 71 27.184 36.131 -4.717 1.00 35.40 H new ATOM 0 HB3 MET A 71 26.507 37.322 -3.624 1.00 35.40 H new ATOM 0 HG2 MET A 71 26.752 37.734 -6.622 1.00 23.12 H new ATOM 0 HG3 MET A 71 25.325 37.080 -5.843 1.00 23.12 H new ATOM 0 HE1 MET A 71 24.173 40.690 -6.878 1.00 40.34 H new ATOM 0 HE2 MET A 71 25.272 39.612 -7.772 1.00 40.34 H new ATOM 0 HE3 MET A 71 23.825 38.947 -6.976 1.00 40.34 H new ATOM 1088 N VAL A 72 29.096 40.172 -4.217 1.00 63.22 N ATOM 1089 CA VAL A 72 29.147 41.482 -3.594 1.00 20.35 C ATOM 1090 C VAL A 72 28.646 42.558 -4.557 1.00 74.04 C ATOM 1091 O VAL A 72 28.927 42.516 -5.757 1.00 55.44 O ATOM 1092 CB VAL A 72 30.580 41.808 -3.103 1.00 25.34 C ATOM 1093 CG1 VAL A 72 31.565 41.865 -4.264 1.00 15.15 C ATOM 1094 CG2 VAL A 72 30.601 43.103 -2.304 1.00 1.10 C ATOM 0 H VAL A 72 29.715 40.061 -5.020 1.00 63.22 H new ATOM 0 HA VAL A 72 28.489 41.468 -2.725 1.00 20.35 H new ATOM 0 HB VAL A 72 30.895 41.000 -2.443 1.00 25.34 H new ATOM 0 HG11 VAL A 72 32.561 42.096 -3.885 1.00 15.15 H new ATOM 0 HG12 VAL A 72 31.584 40.901 -4.772 1.00 15.15 H new ATOM 0 HG13 VAL A 72 31.255 42.639 -4.966 1.00 15.15 H new ATOM 0 HG21 VAL A 72 31.618 43.309 -1.971 1.00 1.10 H new ATOM 0 HG22 VAL A 72 30.252 43.923 -2.931 1.00 1.10 H new ATOM 0 HG23 VAL A 72 29.948 43.006 -1.437 1.00 1.10 H new ATOM 1104 N GLU A 73 27.892 43.505 -4.025 1.00 42.10 N ATOM 1105 CA GLU A 73 27.286 44.552 -4.829 1.00 31.53 C ATOM 1106 C GLU A 73 28.033 45.871 -4.652 1.00 63.01 C ATOM 1107 O GLU A 73 28.662 46.106 -3.617 1.00 71.10 O ATOM 1108 CB GLU A 73 25.800 44.729 -4.467 1.00 14.44 C ATOM 1109 CG GLU A 73 25.537 45.114 -3.011 1.00 61.51 C ATOM 1110 CD GLU A 73 25.822 43.990 -2.031 1.00 54.52 C ATOM 1111 OE1 GLU A 73 24.912 43.179 -1.764 1.00 45.14 O ATOM 1112 OE2 GLU A 73 26.963 43.906 -1.529 1.00 71.22 O ATOM 0 H GLU A 73 27.684 43.570 -3.029 1.00 42.10 H new ATOM 0 HA GLU A 73 27.354 44.253 -5.875 1.00 31.53 H new ATOM 0 HB2 GLU A 73 25.372 45.495 -5.114 1.00 14.44 H new ATOM 0 HB3 GLU A 73 25.275 43.799 -4.683 1.00 14.44 H new ATOM 0 HG2 GLU A 73 26.153 45.976 -2.754 1.00 61.51 H new ATOM 0 HG3 GLU A 73 24.497 45.423 -2.906 1.00 61.51 H new ATOM 1119 N ASP A 74 27.970 46.707 -5.681 1.00 54.20 N ATOM 1120 CA ASP A 74 28.598 48.024 -5.676 1.00 62.35 C ATOM 1121 C ASP A 74 28.255 48.720 -6.985 1.00 53.00 C ATOM 1122 O ASP A 74 28.785 49.813 -7.256 1.00 23.45 O ATOM 1123 CB ASP A 74 30.121 47.910 -5.508 1.00 30.50 C ATOM 1124 CG ASP A 74 30.795 49.241 -5.219 1.00 30.14 C ATOM 1125 OD1 ASP A 74 30.331 49.970 -4.313 1.00 50.44 O ATOM 1126 OD2 ASP A 74 31.814 49.550 -5.872 1.00 23.10 O ATOM 1127 OXT ASP A 74 27.439 48.152 -7.749 1.00 0.00 O ATOM 0 H ASP A 74 27.479 46.490 -6.548 1.00 54.20 H new ATOM 0 HA ASP A 74 28.223 48.604 -4.833 1.00 62.35 H new ATOM 0 HB2 ASP A 74 30.339 47.216 -4.696 1.00 30.50 H new ATOM 0 HB3 ASP A 74 30.549 47.483 -6.415 1.00 30.50 H new TER 1132 ASP A 74