USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 671 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 26 SER OG : rot -79:sc= -1.02 USER MOD Set 1.2: A 32 MET CE :methyl 164:sc= -0.458 (180deg=-0.0384) USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= -0.903 USER MOD Set 2.2: A 16 GLN : amide:sc= -3.91! C(o=-9.3!,f=-14!) USER MOD Set 2.3: A 60 CYS SG : rot -30:sc= -4.52! USER MOD Set 3.1: A 9 SER OG : rot -97:sc= 0.85 USER MOD Set 3.2: A 11 SER OG : rot 180:sc= 0.737 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 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0242 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.372 X(o=0.37,f=-0.12) USER MOD Single : A 27 LYS NZ :NH3+ 155:sc= -0.0922 (180deg=-0.492) USER MOD Single : A 29 SER OG : rot 170:sc= -0.0458 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.264 X(o=0.26,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 150:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -3.01! C(o=-3!,f=-3.3!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -64:sc= 1.23 USER MOD Single : A 70 LYS NZ :NH3+ 160:sc= -0.0778 (180deg=-0.462) USER MOD Single : A 74 ASN : amide:sc=-0.00714 X(o=-0.0071,f=-0.3) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.0292 X(o=-0.029,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -36.157 -28.358 -7.517 1.00 0.00 N ATOM 2 CA GLY A 1 -37.394 -27.600 -7.495 1.00 0.00 C ATOM 3 C GLY A 1 -37.439 -26.596 -6.361 1.00 0.00 C ATOM 4 O GLY A 1 -37.794 -25.435 -6.564 1.00 0.00 O ATOM 0 H1 GLY A 1 -36.176 -29.030 -8.310 1.00 0.00 H new ATOM 0 H2 GLY A 1 -35.354 -27.708 -7.633 1.00 0.00 H new ATOM 0 H3 GLY A 1 -36.054 -28.880 -6.623 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -37.513 -27.077 -8.444 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -38.235 -28.287 -7.402 1.00 0.00 H new ATOM 8 N SER A 2 -37.080 -27.044 -5.162 1.00 0.00 N ATOM 9 CA SER A 2 -37.086 -26.177 -3.989 1.00 0.00 C ATOM 10 C SER A 2 -35.905 -25.212 -4.020 1.00 0.00 C ATOM 11 O SER A 2 -36.070 -24.005 -3.845 1.00 0.00 O ATOM 12 CB SER A 2 -37.042 -27.015 -2.709 1.00 0.00 C ATOM 13 OG SER A 2 -38.266 -27.699 -2.505 1.00 0.00 O ATOM 0 H SER A 2 -36.781 -28.002 -4.977 1.00 0.00 H new ATOM 0 HA SER A 2 -38.008 -25.595 -4.002 1.00 0.00 H new ATOM 0 HB2 SER A 2 -36.225 -27.734 -2.770 1.00 0.00 H new ATOM 0 HB3 SER A 2 -36.836 -26.370 -1.855 1.00 0.00 H new ATOM 0 HG SER A 2 -38.212 -28.228 -1.682 1.00 0.00 H new ATOM 19 N SER A 3 -34.712 -25.754 -4.244 1.00 0.00 N ATOM 20 CA SER A 3 -33.501 -24.944 -4.295 1.00 0.00 C ATOM 21 C SER A 3 -33.712 -23.706 -5.162 1.00 0.00 C ATOM 22 O SER A 3 -33.529 -22.578 -4.709 1.00 0.00 O ATOM 23 CB SER A 3 -32.332 -25.768 -4.837 1.00 0.00 C ATOM 24 OG SER A 3 -31.090 -25.196 -4.467 1.00 0.00 O ATOM 0 H SER A 3 -34.559 -26.751 -4.393 1.00 0.00 H new ATOM 0 HA SER A 3 -33.267 -24.620 -3.281 1.00 0.00 H new ATOM 0 HB2 SER A 3 -32.394 -26.787 -4.456 1.00 0.00 H new ATOM 0 HB3 SER A 3 -32.399 -25.829 -5.923 1.00 0.00 H new ATOM 0 HG SER A 3 -30.359 -25.742 -4.824 1.00 0.00 H new ATOM 30 N GLY A 4 -34.097 -23.929 -6.416 1.00 0.00 N ATOM 31 CA GLY A 4 -34.326 -22.824 -7.328 1.00 0.00 C ATOM 32 C GLY A 4 -33.076 -22.000 -7.567 1.00 0.00 C ATOM 33 O GLY A 4 -31.984 -22.547 -7.721 1.00 0.00 O ATOM 0 H GLY A 4 -34.254 -24.854 -6.815 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -34.689 -23.212 -8.280 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -35.109 -22.182 -6.926 1.00 0.00 H new ATOM 37 N SER A 5 -33.235 -20.681 -7.599 1.00 0.00 N ATOM 38 CA SER A 5 -32.111 -19.781 -7.827 1.00 0.00 C ATOM 39 C SER A 5 -31.871 -18.893 -6.609 1.00 0.00 C ATOM 40 O SER A 5 -32.815 -18.421 -5.975 1.00 0.00 O ATOM 41 CB SER A 5 -32.366 -18.914 -9.061 1.00 0.00 C ATOM 42 OG SER A 5 -33.537 -18.132 -8.903 1.00 0.00 O ATOM 0 H SER A 5 -34.131 -20.212 -7.470 1.00 0.00 H new ATOM 0 HA SER A 5 -31.221 -20.387 -7.995 1.00 0.00 H new ATOM 0 HB2 SER A 5 -31.510 -18.262 -9.234 1.00 0.00 H new ATOM 0 HB3 SER A 5 -32.465 -19.549 -9.941 1.00 0.00 H new ATOM 0 HG SER A 5 -33.676 -17.586 -9.705 1.00 0.00 H new ATOM 48 N SER A 6 -30.601 -18.670 -6.288 1.00 0.00 N ATOM 49 CA SER A 6 -30.235 -17.842 -5.145 1.00 0.00 C ATOM 50 C SER A 6 -30.585 -16.379 -5.399 1.00 0.00 C ATOM 51 O SER A 6 -31.115 -15.695 -4.525 1.00 0.00 O ATOM 52 CB SER A 6 -28.740 -17.977 -4.849 1.00 0.00 C ATOM 53 OG SER A 6 -27.960 -17.504 -5.933 1.00 0.00 O ATOM 0 H SER A 6 -29.808 -19.051 -6.804 1.00 0.00 H new ATOM 0 HA SER A 6 -30.802 -18.188 -4.281 1.00 0.00 H new ATOM 0 HB2 SER A 6 -28.493 -17.417 -3.947 1.00 0.00 H new ATOM 0 HB3 SER A 6 -28.498 -19.021 -4.652 1.00 0.00 H new ATOM 0 HG SER A 6 -27.009 -17.600 -5.718 1.00 0.00 H new ATOM 59 N GLY A 7 -30.283 -15.906 -6.605 1.00 0.00 N ATOM 60 CA GLY A 7 -30.572 -14.527 -6.954 1.00 0.00 C ATOM 61 C GLY A 7 -29.314 -13.705 -7.155 1.00 0.00 C ATOM 62 O GLY A 7 -28.255 -14.245 -7.471 1.00 0.00 O ATOM 0 H GLY A 7 -29.844 -16.453 -7.346 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -31.168 -14.503 -7.867 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -31.176 -14.075 -6.167 1.00 0.00 H new ATOM 66 N SER A 8 -29.432 -12.393 -6.973 1.00 0.00 N ATOM 67 CA SER A 8 -28.297 -11.493 -7.142 1.00 0.00 C ATOM 68 C SER A 8 -28.122 -10.604 -5.915 1.00 0.00 C ATOM 69 O SER A 8 -29.090 -10.055 -5.389 1.00 0.00 O ATOM 70 CB SER A 8 -28.486 -10.629 -8.390 1.00 0.00 C ATOM 71 OG SER A 8 -29.711 -9.919 -8.338 1.00 0.00 O ATOM 0 H SER A 8 -30.302 -11.930 -6.709 1.00 0.00 H new ATOM 0 HA SER A 8 -27.399 -12.099 -7.261 1.00 0.00 H new ATOM 0 HB2 SER A 8 -27.658 -9.926 -8.478 1.00 0.00 H new ATOM 0 HB3 SER A 8 -28.465 -11.259 -9.279 1.00 0.00 H new ATOM 0 HG SER A 8 -29.807 -9.373 -9.146 1.00 0.00 H new ATOM 77 N SER A 9 -26.879 -10.466 -5.464 1.00 0.00 N ATOM 78 CA SER A 9 -26.575 -9.647 -4.297 1.00 0.00 C ATOM 79 C SER A 9 -26.137 -8.246 -4.715 1.00 0.00 C ATOM 80 O SER A 9 -26.594 -7.249 -4.158 1.00 0.00 O ATOM 81 CB SER A 9 -25.480 -10.306 -3.456 1.00 0.00 C ATOM 82 OG SER A 9 -25.537 -9.866 -2.110 1.00 0.00 O ATOM 0 H SER A 9 -26.066 -10.911 -5.890 1.00 0.00 H new ATOM 0 HA SER A 9 -27.482 -9.562 -3.698 1.00 0.00 H new ATOM 0 HB2 SER A 9 -25.591 -11.390 -3.493 1.00 0.00 H new ATOM 0 HB3 SER A 9 -24.503 -10.072 -3.878 1.00 0.00 H new ATOM 0 HG SER A 9 -24.888 -9.145 -1.974 1.00 0.00 H new ATOM 88 N ALA A 10 -25.248 -8.181 -5.701 1.00 0.00 N ATOM 89 CA ALA A 10 -24.749 -6.904 -6.196 1.00 0.00 C ATOM 90 C ALA A 10 -24.081 -6.106 -5.081 1.00 0.00 C ATOM 91 O ALA A 10 -24.265 -4.894 -4.976 1.00 0.00 O ATOM 92 CB ALA A 10 -25.882 -6.100 -6.817 1.00 0.00 C ATOM 0 H ALA A 10 -24.859 -8.998 -6.172 1.00 0.00 H new ATOM 0 HA ALA A 10 -24.000 -7.107 -6.961 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -25.495 -5.149 -7.183 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -26.313 -6.660 -7.647 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -26.651 -5.915 -6.067 1.00 0.00 H new ATOM 98 N SER A 11 -23.304 -6.795 -4.250 1.00 0.00 N ATOM 99 CA SER A 11 -22.612 -6.151 -3.140 1.00 0.00 C ATOM 100 C SER A 11 -21.255 -5.613 -3.585 1.00 0.00 C ATOM 101 O SER A 11 -20.967 -4.425 -3.439 1.00 0.00 O ATOM 102 CB SER A 11 -22.429 -7.137 -1.985 1.00 0.00 C ATOM 103 OG SER A 11 -23.660 -7.742 -1.631 1.00 0.00 O ATOM 0 H SER A 11 -23.138 -7.799 -4.325 1.00 0.00 H new ATOM 0 HA SER A 11 -23.222 -5.314 -2.800 1.00 0.00 H new ATOM 0 HB2 SER A 11 -21.711 -7.906 -2.270 1.00 0.00 H new ATOM 0 HB3 SER A 11 -22.014 -6.617 -1.121 1.00 0.00 H new ATOM 0 HG SER A 11 -23.516 -8.369 -0.892 1.00 0.00 H new ATOM 109 N PHE A 12 -20.425 -6.497 -4.129 1.00 0.00 N ATOM 110 CA PHE A 12 -19.098 -6.113 -4.595 1.00 0.00 C ATOM 111 C PHE A 12 -18.784 -6.763 -5.939 1.00 0.00 C ATOM 112 O PHE A 12 -19.565 -7.565 -6.452 1.00 0.00 O ATOM 113 CB PHE A 12 -18.038 -6.508 -3.564 1.00 0.00 C ATOM 114 CG PHE A 12 -18.150 -7.934 -3.106 1.00 0.00 C ATOM 115 CD1 PHE A 12 -17.984 -8.978 -4.001 1.00 0.00 C ATOM 116 CD2 PHE A 12 -18.421 -8.231 -1.780 1.00 0.00 C ATOM 117 CE1 PHE A 12 -18.088 -10.291 -3.583 1.00 0.00 C ATOM 118 CE2 PHE A 12 -18.526 -9.542 -1.355 1.00 0.00 C ATOM 119 CZ PHE A 12 -18.358 -10.574 -2.258 1.00 0.00 C ATOM 0 H PHE A 12 -20.648 -7.484 -4.258 1.00 0.00 H new ATOM 0 HA PHE A 12 -19.085 -5.031 -4.723 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -17.049 -6.349 -3.993 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -18.120 -5.849 -2.699 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -17.771 -8.763 -5.038 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -18.552 -7.428 -1.070 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -17.958 -11.096 -4.292 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -18.739 -9.759 -0.319 1.00 0.00 H new ATOM 0 HZ PHE A 12 -18.438 -11.600 -1.929 1.00 0.00 H new ATOM 129 N THR A 13 -17.634 -6.411 -6.505 1.00 0.00 N ATOM 130 CA THR A 13 -17.216 -6.958 -7.790 1.00 0.00 C ATOM 131 C THR A 13 -16.256 -8.127 -7.604 1.00 0.00 C ATOM 132 O THR A 13 -15.513 -8.185 -6.623 1.00 0.00 O ATOM 133 CB THR A 13 -16.537 -5.886 -8.663 1.00 0.00 C ATOM 134 OG1 THR A 13 -15.566 -5.169 -7.892 1.00 0.00 O ATOM 135 CG2 THR A 13 -17.565 -4.914 -9.223 1.00 0.00 C ATOM 0 H THR A 13 -16.975 -5.750 -6.094 1.00 0.00 H new ATOM 0 HA THR A 13 -18.118 -7.308 -8.292 1.00 0.00 H new ATOM 0 HB THR A 13 -16.042 -6.387 -9.495 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.138 -4.490 -8.455 1.00 0.00 H new ATOM 0 HG21 THR A 13 -17.062 -4.166 -9.836 1.00 0.00 H new ATOM 0 HG22 THR A 13 -18.286 -5.458 -9.833 1.00 0.00 H new ATOM 0 HG23 THR A 13 -18.084 -4.420 -8.402 1.00 0.00 H new ATOM 143 N LYS A 14 -16.274 -9.059 -8.551 1.00 0.00 N ATOM 144 CA LYS A 14 -15.404 -10.227 -8.494 1.00 0.00 C ATOM 145 C LYS A 14 -13.970 -9.822 -8.167 1.00 0.00 C ATOM 146 O LYS A 14 -13.327 -10.421 -7.306 1.00 0.00 O ATOM 147 CB LYS A 14 -15.441 -10.983 -9.824 1.00 0.00 C ATOM 148 CG LYS A 14 -15.592 -10.077 -11.034 1.00 0.00 C ATOM 149 CD LYS A 14 -14.976 -10.699 -12.276 1.00 0.00 C ATOM 150 CE LYS A 14 -15.976 -11.578 -13.012 1.00 0.00 C ATOM 151 NZ LYS A 14 -16.887 -10.778 -13.876 1.00 0.00 N ATOM 0 H LYS A 14 -16.883 -9.028 -9.369 1.00 0.00 H new ATOM 0 HA LYS A 14 -15.768 -10.881 -7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.525 -11.564 -9.928 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -16.268 -11.693 -9.806 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.649 -9.878 -11.211 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.117 -9.117 -10.833 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.623 -9.912 -12.942 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.106 -11.292 -11.994 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.440 -12.304 -13.623 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.564 -12.143 -12.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.553 -11.413 -14.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.417 -10.102 -13.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.328 -10.259 -14.583 1.00 0.00 H new ATOM 165 N GLU A 15 -13.476 -8.800 -8.860 1.00 0.00 N ATOM 166 CA GLU A 15 -12.119 -8.315 -8.642 1.00 0.00 C ATOM 167 C GLU A 15 -11.838 -8.134 -7.153 1.00 0.00 C ATOM 168 O GLU A 15 -10.905 -8.726 -6.610 1.00 0.00 O ATOM 169 CB GLU A 15 -11.901 -6.992 -9.378 1.00 0.00 C ATOM 170 CG GLU A 15 -11.473 -7.163 -10.825 1.00 0.00 C ATOM 171 CD GLU A 15 -12.428 -8.035 -11.617 1.00 0.00 C ATOM 172 OE1 GLU A 15 -13.601 -7.636 -11.777 1.00 0.00 O ATOM 173 OE2 GLU A 15 -12.004 -9.116 -12.077 1.00 0.00 O ATOM 0 H GLU A 15 -13.995 -8.293 -9.576 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.428 -9.059 -9.037 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.824 -6.413 -9.347 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.143 -6.413 -8.850 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.405 -6.183 -11.298 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.476 -7.602 -10.856 1.00 0.00 H new ATOM 180 N GLN A 16 -12.652 -7.311 -6.499 1.00 0.00 N ATOM 181 CA GLN A 16 -12.491 -7.050 -5.074 1.00 0.00 C ATOM 182 C GLN A 16 -12.387 -8.355 -4.290 1.00 0.00 C ATOM 183 O GLN A 16 -11.356 -8.647 -3.685 1.00 0.00 O ATOM 184 CB GLN A 16 -13.663 -6.219 -4.550 1.00 0.00 C ATOM 185 CG GLN A 16 -13.815 -4.875 -5.246 1.00 0.00 C ATOM 186 CD GLN A 16 -14.962 -4.056 -4.689 1.00 0.00 C ATOM 187 OE1 GLN A 16 -16.123 -4.459 -4.769 1.00 0.00 O ATOM 188 NE2 GLN A 16 -14.643 -2.900 -4.120 1.00 0.00 N ATOM 0 H GLN A 16 -13.429 -6.814 -6.934 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.567 -6.489 -4.935 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -14.585 -6.788 -4.672 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.530 -6.052 -3.481 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.888 -4.311 -5.145 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.974 -5.038 -6.312 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -13.667 -2.605 -4.076 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.373 -2.306 -3.727 1.00 0.00 H new ATOM 197 N ALA A 17 -13.463 -9.135 -4.306 1.00 0.00 N ATOM 198 CA ALA A 17 -13.492 -10.409 -3.598 1.00 0.00 C ATOM 199 C ALA A 17 -12.228 -11.218 -3.870 1.00 0.00 C ATOM 200 O ALA A 17 -11.599 -11.733 -2.946 1.00 0.00 O ATOM 201 CB ALA A 17 -14.726 -11.206 -3.996 1.00 0.00 C ATOM 0 H ALA A 17 -14.325 -8.907 -4.801 1.00 0.00 H new ATOM 0 HA ALA A 17 -13.536 -10.201 -2.529 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.735 -12.155 -3.460 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.622 -10.639 -3.745 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.706 -11.396 -5.069 1.00 0.00 H new ATOM 207 N ASP A 18 -11.862 -11.324 -5.142 1.00 0.00 N ATOM 208 CA ASP A 18 -10.672 -12.070 -5.535 1.00 0.00 C ATOM 209 C ASP A 18 -9.422 -11.480 -4.888 1.00 0.00 C ATOM 210 O ASP A 18 -8.430 -12.178 -4.683 1.00 0.00 O ATOM 211 CB ASP A 18 -10.522 -12.067 -7.057 1.00 0.00 C ATOM 212 CG ASP A 18 -11.386 -13.118 -7.726 1.00 0.00 C ATOM 213 OD1 ASP A 18 -10.927 -14.272 -7.850 1.00 0.00 O ATOM 214 OD2 ASP A 18 -12.521 -12.785 -8.127 1.00 0.00 O ATOM 0 H ASP A 18 -12.372 -10.903 -5.919 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.788 -13.098 -5.190 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.787 -11.083 -7.443 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -9.478 -12.240 -7.317 1.00 0.00 H new ATOM 219 N ALA A 19 -9.479 -10.191 -4.569 1.00 0.00 N ATOM 220 CA ALA A 19 -8.353 -9.509 -3.944 1.00 0.00 C ATOM 221 C ALA A 19 -8.202 -9.922 -2.484 1.00 0.00 C ATOM 222 O ALA A 19 -7.112 -10.283 -2.041 1.00 0.00 O ATOM 223 CB ALA A 19 -8.524 -8.001 -4.053 1.00 0.00 C ATOM 0 H ALA A 19 -10.293 -9.599 -4.733 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.445 -9.800 -4.472 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.676 -7.504 -3.582 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.574 -7.716 -5.104 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.444 -7.702 -3.551 1.00 0.00 H new ATOM 229 N ILE A 20 -9.303 -9.866 -1.741 1.00 0.00 N ATOM 230 CA ILE A 20 -9.292 -10.235 -0.331 1.00 0.00 C ATOM 231 C ILE A 20 -8.899 -11.697 -0.149 1.00 0.00 C ATOM 232 O ILE A 20 -8.027 -12.020 0.657 1.00 0.00 O ATOM 233 CB ILE A 20 -10.665 -9.998 0.324 1.00 0.00 C ATOM 234 CG1 ILE A 20 -11.029 -8.513 0.273 1.00 0.00 C ATOM 235 CG2 ILE A 20 -10.661 -10.499 1.760 1.00 0.00 C ATOM 236 CD1 ILE A 20 -11.845 -8.131 -0.943 1.00 0.00 C ATOM 0 H ILE A 20 -10.213 -9.569 -2.092 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.553 -9.599 0.156 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.418 -10.557 -0.232 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -11.588 -8.253 1.172 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.113 -7.922 0.286 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -11.639 -10.324 2.209 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -10.442 -11.567 1.772 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.900 -9.966 2.329 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.066 -7.064 -0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -11.280 -8.359 -1.847 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -12.778 -8.695 -0.947 1.00 0.00 H new ATOM 248 N ARG A 21 -9.549 -12.577 -0.904 1.00 0.00 N ATOM 249 CA ARG A 21 -9.268 -14.005 -0.826 1.00 0.00 C ATOM 250 C ARG A 21 -7.779 -14.277 -1.017 1.00 0.00 C ATOM 251 O ARG A 21 -7.231 -15.217 -0.441 1.00 0.00 O ATOM 252 CB ARG A 21 -10.075 -14.764 -1.881 1.00 0.00 C ATOM 253 CG ARG A 21 -9.352 -14.914 -3.210 1.00 0.00 C ATOM 254 CD ARG A 21 -10.290 -15.400 -4.303 1.00 0.00 C ATOM 255 NE ARG A 21 -10.629 -16.811 -4.146 1.00 0.00 N ATOM 256 CZ ARG A 21 -9.863 -17.805 -4.582 1.00 0.00 C ATOM 257 NH1 ARG A 21 -8.719 -17.542 -5.199 1.00 0.00 N ATOM 258 NH2 ARG A 21 -10.239 -19.064 -4.401 1.00 0.00 N ATOM 0 H ARG A 21 -10.274 -12.326 -1.576 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.560 -14.353 0.165 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.319 -15.754 -1.496 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -11.019 -14.245 -2.047 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.919 -13.957 -3.500 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.526 -15.617 -3.099 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.203 -14.804 -4.289 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.824 -15.245 -5.276 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.503 -17.047 -3.675 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.426 -16.575 -5.339 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.132 -18.307 -5.533 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.118 -19.271 -3.926 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -9.649 -19.826 -4.737 1.00 0.00 H new ATOM 272 N ARG A 22 -7.130 -13.449 -1.829 1.00 0.00 N ATOM 273 CA ARG A 22 -5.705 -13.601 -2.097 1.00 0.00 C ATOM 274 C ARG A 22 -4.874 -13.077 -0.930 1.00 0.00 C ATOM 275 O ARG A 22 -3.927 -13.728 -0.488 1.00 0.00 O ATOM 276 CB ARG A 22 -5.324 -12.863 -3.381 1.00 0.00 C ATOM 277 CG ARG A 22 -5.673 -13.626 -4.649 1.00 0.00 C ATOM 278 CD ARG A 22 -4.608 -14.657 -4.989 1.00 0.00 C ATOM 279 NE ARG A 22 -4.559 -14.943 -6.420 1.00 0.00 N ATOM 280 CZ ARG A 22 -3.521 -15.513 -7.021 1.00 0.00 C ATOM 281 NH1 ARG A 22 -2.450 -15.856 -6.318 1.00 0.00 N ATOM 282 NH2 ARG A 22 -3.551 -15.740 -8.328 1.00 0.00 N ATOM 0 H ARG A 22 -7.569 -12.666 -2.313 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.495 -14.663 -2.222 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.828 -11.897 -3.398 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.253 -12.663 -3.371 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.635 -14.123 -4.523 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.782 -12.926 -5.478 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.635 -14.295 -4.658 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.808 -15.578 -4.442 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.367 -14.691 -6.990 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.422 -15.682 -5.313 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.654 -16.294 -6.782 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.372 -15.477 -8.873 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.753 -16.178 -8.788 1.00 0.00 H new ATOM 296 N ILE A 23 -5.234 -11.896 -0.437 1.00 0.00 N ATOM 297 CA ILE A 23 -4.521 -11.285 0.678 1.00 0.00 C ATOM 298 C ILE A 23 -4.502 -12.210 1.891 1.00 0.00 C ATOM 299 O ILE A 23 -3.478 -12.352 2.559 1.00 0.00 O ATOM 300 CB ILE A 23 -5.155 -9.941 1.082 1.00 0.00 C ATOM 301 CG1 ILE A 23 -4.955 -8.905 -0.027 1.00 0.00 C ATOM 302 CG2 ILE A 23 -4.557 -9.446 2.390 1.00 0.00 C ATOM 303 CD1 ILE A 23 -5.723 -7.622 0.200 1.00 0.00 C ATOM 0 H ILE A 23 -6.015 -11.344 -0.792 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.499 -11.109 0.342 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.225 -10.089 1.227 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.893 -8.674 -0.110 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.262 -9.339 -0.979 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.015 -8.495 2.663 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.745 -10.178 3.176 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.482 -9.310 2.270 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.534 -6.934 -0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.789 -7.841 0.253 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.399 -7.165 1.135 1.00 0.00 H new ATOM 315 N ARG A 24 -5.640 -12.838 2.168 1.00 0.00 N ATOM 316 CA ARG A 24 -5.753 -13.749 3.299 1.00 0.00 C ATOM 317 C ARG A 24 -5.025 -15.060 3.017 1.00 0.00 C ATOM 318 O ARG A 24 -4.730 -15.827 3.932 1.00 0.00 O ATOM 319 CB ARG A 24 -7.225 -14.028 3.611 1.00 0.00 C ATOM 320 CG ARG A 24 -7.982 -14.662 2.456 1.00 0.00 C ATOM 321 CD ARG A 24 -9.475 -14.387 2.551 1.00 0.00 C ATOM 322 NE ARG A 24 -10.269 -15.468 1.972 1.00 0.00 N ATOM 323 CZ ARG A 24 -11.595 -15.449 1.901 1.00 0.00 C ATOM 324 NH1 ARG A 24 -12.272 -14.409 2.369 1.00 0.00 N ATOM 325 NH2 ARG A 24 -12.247 -16.470 1.361 1.00 0.00 N ATOM 0 H ARG A 24 -6.496 -12.732 1.624 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.288 -13.274 4.163 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.286 -14.685 4.479 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.713 -13.093 3.885 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.599 -14.275 1.512 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.809 -15.738 2.453 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.753 -14.253 3.596 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.705 -13.453 2.038 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.778 -16.282 1.602 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.774 -13.622 2.784 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.290 -14.397 2.313 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.730 -17.271 0.999 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.265 -16.454 1.307 1.00 0.00 H new ATOM 339 N ASN A 25 -4.738 -15.309 1.743 1.00 0.00 N ATOM 340 CA ASN A 25 -4.044 -16.527 1.340 1.00 0.00 C ATOM 341 C ASN A 25 -2.699 -16.201 0.700 1.00 0.00 C ATOM 342 O ASN A 25 -2.112 -17.031 0.006 1.00 0.00 O ATOM 343 CB ASN A 25 -4.906 -17.329 0.362 1.00 0.00 C ATOM 344 CG ASN A 25 -6.066 -18.023 1.049 1.00 0.00 C ATOM 345 OD1 ASN A 25 -5.882 -18.731 2.039 1.00 0.00 O ATOM 346 ND2 ASN A 25 -7.269 -17.823 0.524 1.00 0.00 N ATOM 0 H ASN A 25 -4.975 -14.684 0.973 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.865 -17.126 2.233 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.291 -16.662 -0.410 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.286 -18.073 -0.139 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.088 -18.264 0.942 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.374 -17.228 -0.298 1.00 0.00 H new ATOM 353 N SER A 26 -2.215 -14.986 0.939 1.00 0.00 N ATOM 354 CA SER A 26 -0.940 -14.548 0.384 1.00 0.00 C ATOM 355 C SER A 26 0.223 -15.036 1.243 1.00 0.00 C ATOM 356 O SER A 26 0.042 -15.403 2.404 1.00 0.00 O ATOM 357 CB SER A 26 -0.904 -13.022 0.275 1.00 0.00 C ATOM 358 OG SER A 26 -1.264 -12.415 1.504 1.00 0.00 O ATOM 0 H SER A 26 -2.687 -14.288 1.513 1.00 0.00 H new ATOM 0 HA SER A 26 -0.839 -14.978 -0.612 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.096 -12.698 -0.015 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.586 -12.694 -0.510 1.00 0.00 H new ATOM 0 HG SER A 26 -2.239 -12.425 1.600 1.00 0.00 H new ATOM 364 N LYS A 27 1.419 -15.036 0.664 1.00 0.00 N ATOM 365 CA LYS A 27 2.614 -15.476 1.374 1.00 0.00 C ATOM 366 C LYS A 27 3.611 -14.332 1.523 1.00 0.00 C ATOM 367 O LYS A 27 4.567 -14.426 2.293 1.00 0.00 O ATOM 368 CB LYS A 27 3.269 -16.646 0.636 1.00 0.00 C ATOM 369 CG LYS A 27 2.271 -17.632 0.053 1.00 0.00 C ATOM 370 CD LYS A 27 2.937 -18.586 -0.925 1.00 0.00 C ATOM 371 CE LYS A 27 3.567 -19.770 -0.207 1.00 0.00 C ATOM 372 NZ LYS A 27 2.542 -20.636 0.439 1.00 0.00 N ATOM 0 H LYS A 27 1.586 -14.736 -0.296 1.00 0.00 H new ATOM 0 HA LYS A 27 2.315 -15.804 2.369 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.892 -16.254 -0.168 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.930 -17.174 1.323 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.807 -18.201 0.859 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.474 -17.088 -0.454 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.200 -18.945 -1.644 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.701 -18.054 -1.491 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.145 -20.360 -0.918 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.265 -19.408 0.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.917 -21.601 0.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.308 -20.255 1.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.685 -20.657 -0.150 1.00 0.00 H new ATOM 386 N ASP A 28 3.382 -13.254 0.782 1.00 0.00 N ATOM 387 CA ASP A 28 4.260 -12.090 0.833 1.00 0.00 C ATOM 388 C ASP A 28 3.533 -10.839 0.350 1.00 0.00 C ATOM 389 O ASP A 28 2.765 -10.887 -0.611 1.00 0.00 O ATOM 390 CB ASP A 28 5.509 -12.329 -0.017 1.00 0.00 C ATOM 391 CG ASP A 28 6.447 -13.344 0.605 1.00 0.00 C ATOM 392 OD1 ASP A 28 6.888 -13.119 1.752 1.00 0.00 O ATOM 393 OD2 ASP A 28 6.741 -14.363 -0.054 1.00 0.00 O ATOM 0 H ASP A 28 2.596 -13.161 0.139 1.00 0.00 H new ATOM 0 HA ASP A 28 4.559 -11.937 1.870 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.211 -12.673 -1.007 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.038 -11.386 -0.154 1.00 0.00 H new ATOM 398 N SER A 29 3.779 -9.721 1.024 1.00 0.00 N ATOM 399 CA SER A 29 3.143 -8.457 0.668 1.00 0.00 C ATOM 400 C SER A 29 3.120 -8.270 -0.846 1.00 0.00 C ATOM 401 O SER A 29 2.164 -7.727 -1.400 1.00 0.00 O ATOM 402 CB SER A 29 3.879 -7.288 1.326 1.00 0.00 C ATOM 403 OG SER A 29 4.016 -7.493 2.721 1.00 0.00 O ATOM 0 H SER A 29 4.414 -9.664 1.820 1.00 0.00 H new ATOM 0 HA SER A 29 2.115 -8.480 1.031 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.864 -7.173 0.874 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.334 -6.362 1.143 1.00 0.00 H new ATOM 0 HG SER A 29 4.624 -6.820 3.092 1.00 0.00 H new ATOM 409 N TRP A 30 4.178 -8.724 -1.509 1.00 0.00 N ATOM 410 CA TRP A 30 4.279 -8.606 -2.959 1.00 0.00 C ATOM 411 C TRP A 30 2.999 -9.085 -3.635 1.00 0.00 C ATOM 412 O TRP A 30 2.506 -8.452 -4.569 1.00 0.00 O ATOM 413 CB TRP A 30 5.473 -9.411 -3.474 1.00 0.00 C ATOM 414 CG TRP A 30 6.706 -9.247 -2.636 1.00 0.00 C ATOM 415 CD1 TRP A 30 7.421 -10.239 -2.028 1.00 0.00 C ATOM 416 CD2 TRP A 30 7.365 -8.018 -2.314 1.00 0.00 C ATOM 417 NE1 TRP A 30 8.485 -9.701 -1.346 1.00 0.00 N ATOM 418 CE2 TRP A 30 8.474 -8.340 -1.507 1.00 0.00 C ATOM 419 CE3 TRP A 30 7.129 -6.678 -2.630 1.00 0.00 C ATOM 420 CZ2 TRP A 30 9.341 -7.370 -1.012 1.00 0.00 C ATOM 421 CZ3 TRP A 30 7.990 -5.716 -2.138 1.00 0.00 C ATOM 422 CH2 TRP A 30 9.086 -6.065 -1.337 1.00 0.00 C ATOM 0 H TRP A 30 4.977 -9.177 -1.066 1.00 0.00 H new ATOM 0 HA TRP A 30 4.425 -7.554 -3.204 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.203 -10.467 -3.508 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.694 -9.106 -4.497 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.185 -11.292 -2.076 1.00 0.00 H new ATOM 0 HE1 TRP A 30 9.172 -10.229 -0.807 1.00 0.00 H new ATOM 0 HE3 TRP A 30 6.288 -6.399 -3.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 10.185 -7.638 -0.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.815 -4.677 -2.375 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.742 -5.290 -0.969 1.00 0.00 H new ATOM 433 N ASP A 31 2.465 -10.203 -3.157 1.00 0.00 N ATOM 434 CA ASP A 31 1.241 -10.766 -3.715 1.00 0.00 C ATOM 435 C ASP A 31 0.057 -9.833 -3.476 1.00 0.00 C ATOM 436 O ASP A 31 -0.822 -9.700 -4.328 1.00 0.00 O ATOM 437 CB ASP A 31 0.957 -12.137 -3.100 1.00 0.00 C ATOM 438 CG ASP A 31 0.213 -13.055 -4.050 1.00 0.00 C ATOM 439 OD1 ASP A 31 0.443 -12.955 -5.274 1.00 0.00 O ATOM 440 OD2 ASP A 31 -0.598 -13.874 -3.570 1.00 0.00 O ATOM 0 H ASP A 31 2.861 -10.738 -2.384 1.00 0.00 H new ATOM 0 HA ASP A 31 1.380 -10.881 -4.790 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.898 -12.604 -2.811 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.371 -12.009 -2.190 1.00 0.00 H new ATOM 445 N MET A 32 0.041 -9.192 -2.313 1.00 0.00 N ATOM 446 CA MET A 32 -1.035 -8.272 -1.963 1.00 0.00 C ATOM 447 C MET A 32 -0.932 -6.982 -2.771 1.00 0.00 C ATOM 448 O MET A 32 -1.835 -6.644 -3.538 1.00 0.00 O ATOM 449 CB MET A 32 -0.997 -7.954 -0.467 1.00 0.00 C ATOM 450 CG MET A 32 -1.239 -9.167 0.418 1.00 0.00 C ATOM 451 SD MET A 32 0.234 -10.187 0.616 1.00 0.00 S ATOM 452 CE MET A 32 0.392 -10.210 2.400 1.00 0.00 C ATOM 0 H MET A 32 0.760 -9.292 -1.597 1.00 0.00 H new ATOM 0 HA MET A 32 -1.983 -8.755 -2.201 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.027 -7.522 -0.220 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.749 -7.197 -0.245 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.580 -8.834 1.398 1.00 0.00 H new ATOM 0 HG3 MET A 32 -2.039 -9.771 -0.010 1.00 0.00 H new ATOM 0 HE1 MET A 32 1.067 -11.013 2.695 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.792 -9.256 2.742 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.587 -10.375 2.850 1.00 0.00 H new ATOM 462 N LEU A 33 0.172 -6.265 -2.593 1.00 0.00 N ATOM 463 CA LEU A 33 0.393 -5.011 -3.306 1.00 0.00 C ATOM 464 C LEU A 33 0.562 -5.258 -4.802 1.00 0.00 C ATOM 465 O LEU A 33 0.245 -4.398 -5.623 1.00 0.00 O ATOM 466 CB LEU A 33 1.626 -4.297 -2.752 1.00 0.00 C ATOM 467 CG LEU A 33 1.659 -4.090 -1.237 1.00 0.00 C ATOM 468 CD1 LEU A 33 2.995 -3.506 -0.806 1.00 0.00 C ATOM 469 CD2 LEU A 33 0.514 -3.188 -0.798 1.00 0.00 C ATOM 0 H LEU A 33 0.928 -6.530 -1.962 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.482 -4.378 -3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.510 -4.866 -3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.703 -3.322 -3.233 1.00 0.00 H new ATOM 0 HG LEU A 33 1.538 -5.060 -0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.999 -3.366 0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.798 -4.188 -1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.147 -2.545 -1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.552 -3.051 0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.605 -2.220 -1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.436 -3.647 -1.072 1.00 0.00 H new ATOM 481 N GLY A 34 1.064 -6.439 -5.148 1.00 0.00 N ATOM 482 CA GLY A 34 1.265 -6.779 -6.545 1.00 0.00 C ATOM 483 C GLY A 34 2.501 -6.124 -7.129 1.00 0.00 C ATOM 484 O GLY A 34 2.462 -5.579 -8.232 1.00 0.00 O ATOM 0 H GLY A 34 1.335 -7.166 -4.486 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.350 -7.861 -6.644 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.390 -6.474 -7.119 1.00 0.00 H new ATOM 488 N VAL A 35 3.603 -6.175 -6.386 1.00 0.00 N ATOM 489 CA VAL A 35 4.856 -5.581 -6.836 1.00 0.00 C ATOM 490 C VAL A 35 6.044 -6.466 -6.475 1.00 0.00 C ATOM 491 O VAL A 35 6.131 -6.983 -5.361 1.00 0.00 O ATOM 492 CB VAL A 35 5.066 -4.183 -6.224 1.00 0.00 C ATOM 493 CG1 VAL A 35 4.121 -3.174 -6.859 1.00 0.00 C ATOM 494 CG2 VAL A 35 4.876 -4.228 -4.715 1.00 0.00 C ATOM 0 H VAL A 35 3.653 -6.622 -5.470 1.00 0.00 H new ATOM 0 HA VAL A 35 4.792 -5.489 -7.920 1.00 0.00 H new ATOM 0 HB VAL A 35 6.088 -3.866 -6.429 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.284 -2.192 -6.414 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.311 -3.122 -7.931 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.090 -3.483 -6.688 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.028 -3.232 -4.299 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.866 -4.567 -4.485 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.598 -4.918 -4.278 1.00 0.00 H new ATOM 504 N LYS A 36 6.958 -6.635 -7.424 1.00 0.00 N ATOM 505 CA LYS A 36 8.144 -7.456 -7.207 1.00 0.00 C ATOM 506 C LYS A 36 8.873 -7.034 -5.935 1.00 0.00 C ATOM 507 O LYS A 36 8.792 -5.886 -5.497 1.00 0.00 O ATOM 508 CB LYS A 36 9.087 -7.352 -8.407 1.00 0.00 C ATOM 509 CG LYS A 36 9.881 -6.058 -8.446 1.00 0.00 C ATOM 510 CD LYS A 36 9.160 -4.986 -9.246 1.00 0.00 C ATOM 511 CE LYS A 36 9.277 -5.233 -10.742 1.00 0.00 C ATOM 512 NZ LYS A 36 8.355 -4.362 -11.522 1.00 0.00 N ATOM 0 H LYS A 36 6.901 -6.214 -8.351 1.00 0.00 H new ATOM 0 HA LYS A 36 7.823 -8.491 -7.094 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.780 -8.193 -8.388 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.505 -7.439 -9.324 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.050 -5.703 -7.429 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.861 -6.244 -8.886 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.108 -4.964 -8.961 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.576 -4.008 -9.004 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.304 -5.052 -11.061 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.056 -6.279 -10.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.465 -4.561 -12.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.373 -4.552 -11.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.582 -3.364 -11.338 1.00 0.00 H new ATOM 526 N PRO A 37 9.603 -7.981 -5.328 1.00 0.00 N ATOM 527 CA PRO A 37 10.362 -7.729 -4.100 1.00 0.00 C ATOM 528 C PRO A 37 11.561 -6.818 -4.336 1.00 0.00 C ATOM 529 O PRO A 37 12.289 -6.479 -3.404 1.00 0.00 O ATOM 530 CB PRO A 37 10.827 -9.125 -3.678 1.00 0.00 C ATOM 531 CG PRO A 37 10.858 -9.913 -4.942 1.00 0.00 C ATOM 532 CD PRO A 37 9.744 -9.370 -5.795 1.00 0.00 C ATOM 0 HA PRO A 37 9.761 -7.219 -3.347 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.811 -9.090 -3.209 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.144 -9.567 -2.953 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.820 -9.809 -5.444 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.715 -10.975 -4.743 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.992 -9.414 -6.856 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.822 -9.935 -5.659 1.00 0.00 H new ATOM 540 N GLY A 38 11.762 -6.423 -5.590 1.00 0.00 N ATOM 541 CA GLY A 38 12.874 -5.554 -5.925 1.00 0.00 C ATOM 542 C GLY A 38 12.419 -4.207 -6.453 1.00 0.00 C ATOM 543 O GLY A 38 13.146 -3.546 -7.194 1.00 0.00 O ATOM 0 H GLY A 38 11.174 -6.690 -6.380 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.493 -5.404 -5.040 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.500 -6.041 -6.673 1.00 0.00 H new ATOM 547 N ALA A 39 11.212 -3.802 -6.073 1.00 0.00 N ATOM 548 CA ALA A 39 10.662 -2.526 -6.512 1.00 0.00 C ATOM 549 C ALA A 39 11.113 -1.390 -5.601 1.00 0.00 C ATOM 550 O ALA A 39 11.701 -1.625 -4.545 1.00 0.00 O ATOM 551 CB ALA A 39 9.142 -2.595 -6.560 1.00 0.00 C ATOM 0 H ALA A 39 10.597 -4.339 -5.462 1.00 0.00 H new ATOM 0 HA ALA A 39 11.038 -2.323 -7.515 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.744 -1.635 -6.889 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.835 -3.374 -7.258 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.757 -2.826 -5.567 1.00 0.00 H new ATOM 557 N SER A 40 10.835 -0.158 -6.015 1.00 0.00 N ATOM 558 CA SER A 40 11.216 1.015 -5.238 1.00 0.00 C ATOM 559 C SER A 40 10.011 1.597 -4.506 1.00 0.00 C ATOM 560 O SER A 40 8.865 1.271 -4.817 1.00 0.00 O ATOM 561 CB SER A 40 11.837 2.077 -6.148 1.00 0.00 C ATOM 562 OG SER A 40 13.128 1.685 -6.582 1.00 0.00 O ATOM 0 H SER A 40 10.347 0.054 -6.885 1.00 0.00 H new ATOM 0 HA SER A 40 11.954 0.705 -4.498 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.194 2.241 -7.012 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.902 3.025 -5.614 1.00 0.00 H new ATOM 0 HG SER A 40 13.503 2.379 -7.163 1.00 0.00 H new ATOM 568 N ARG A 41 10.278 2.461 -3.532 1.00 0.00 N ATOM 569 CA ARG A 41 9.217 3.089 -2.754 1.00 0.00 C ATOM 570 C ARG A 41 8.105 3.601 -3.666 1.00 0.00 C ATOM 571 O ARG A 41 6.930 3.298 -3.460 1.00 0.00 O ATOM 572 CB ARG A 41 9.779 4.241 -1.921 1.00 0.00 C ATOM 573 CG ARG A 41 8.729 4.961 -1.090 1.00 0.00 C ATOM 574 CD ARG A 41 9.341 5.605 0.144 1.00 0.00 C ATOM 575 NE ARG A 41 9.882 6.932 -0.142 1.00 0.00 N ATOM 576 CZ ARG A 41 10.229 7.802 0.799 1.00 0.00 C ATOM 577 NH1 ARG A 41 10.093 7.489 2.080 1.00 0.00 N ATOM 578 NH2 ARG A 41 10.714 8.990 0.459 1.00 0.00 N ATOM 0 H ARG A 41 11.221 2.742 -3.263 1.00 0.00 H new ATOM 0 HA ARG A 41 8.798 2.338 -2.085 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.553 3.855 -1.258 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.259 4.959 -2.586 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.243 5.725 -1.697 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.956 4.255 -0.788 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.585 5.682 0.925 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.135 4.966 0.531 1.00 0.00 H new ATOM 0 HE ARG A 41 9.999 7.205 -1.118 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.721 6.577 2.345 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.361 8.160 2.800 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.820 9.235 -0.525 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.980 9.658 1.182 1.00 0.00 H new ATOM 592 N ASP A 42 8.485 4.379 -4.673 1.00 0.00 N ATOM 593 CA ASP A 42 7.522 4.934 -5.617 1.00 0.00 C ATOM 594 C ASP A 42 6.606 3.843 -6.162 1.00 0.00 C ATOM 595 O ASP A 42 5.408 4.059 -6.346 1.00 0.00 O ATOM 596 CB ASP A 42 8.247 5.631 -6.769 1.00 0.00 C ATOM 597 CG ASP A 42 7.369 5.788 -7.995 1.00 0.00 C ATOM 598 OD1 ASP A 42 6.179 6.132 -7.833 1.00 0.00 O ATOM 599 OD2 ASP A 42 7.873 5.568 -9.116 1.00 0.00 O ATOM 0 H ASP A 42 9.454 4.640 -4.857 1.00 0.00 H new ATOM 0 HA ASP A 42 6.912 5.666 -5.087 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.586 6.613 -6.440 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.137 5.059 -7.034 1.00 0.00 H new ATOM 604 N GLU A 43 7.178 2.671 -6.420 1.00 0.00 N ATOM 605 CA GLU A 43 6.412 1.547 -6.947 1.00 0.00 C ATOM 606 C GLU A 43 5.432 1.020 -5.902 1.00 0.00 C ATOM 607 O GLU A 43 4.226 0.963 -6.140 1.00 0.00 O ATOM 608 CB GLU A 43 7.352 0.425 -7.393 1.00 0.00 C ATOM 609 CG GLU A 43 8.098 0.732 -8.680 1.00 0.00 C ATOM 610 CD GLU A 43 7.220 1.404 -9.717 1.00 0.00 C ATOM 611 OE1 GLU A 43 6.467 0.689 -10.411 1.00 0.00 O ATOM 612 OE2 GLU A 43 7.287 2.646 -9.835 1.00 0.00 O ATOM 0 H GLU A 43 8.168 2.475 -6.273 1.00 0.00 H new ATOM 0 HA GLU A 43 5.844 1.899 -7.808 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.075 0.232 -6.601 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.774 -0.490 -7.527 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.949 1.376 -8.458 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.498 -0.194 -9.093 1.00 0.00 H new ATOM 619 N VAL A 44 5.960 0.634 -4.745 1.00 0.00 N ATOM 620 CA VAL A 44 5.134 0.112 -3.664 1.00 0.00 C ATOM 621 C VAL A 44 3.933 1.015 -3.404 1.00 0.00 C ATOM 622 O VAL A 44 2.810 0.540 -3.244 1.00 0.00 O ATOM 623 CB VAL A 44 5.942 -0.036 -2.361 1.00 0.00 C ATOM 624 CG1 VAL A 44 5.041 -0.490 -1.222 1.00 0.00 C ATOM 625 CG2 VAL A 44 7.096 -1.007 -2.558 1.00 0.00 C ATOM 0 H VAL A 44 6.957 0.673 -4.533 1.00 0.00 H new ATOM 0 HA VAL A 44 4.784 -0.871 -3.980 1.00 0.00 H new ATOM 0 HB VAL A 44 6.356 0.937 -2.098 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.629 -0.589 -0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.252 0.246 -1.067 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.595 -1.453 -1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.656 -1.100 -1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.705 -1.983 -2.845 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.755 -0.635 -3.343 1.00 0.00 H new ATOM 635 N ASN A 45 4.179 2.320 -3.365 1.00 0.00 N ATOM 636 CA ASN A 45 3.117 3.291 -3.125 1.00 0.00 C ATOM 637 C ASN A 45 2.084 3.256 -4.247 1.00 0.00 C ATOM 638 O ASN A 45 0.879 3.274 -3.998 1.00 0.00 O ATOM 639 CB ASN A 45 3.704 4.699 -3.000 1.00 0.00 C ATOM 640 CG ASN A 45 4.180 5.004 -1.593 1.00 0.00 C ATOM 641 OD1 ASN A 45 3.380 5.302 -0.706 1.00 0.00 O ATOM 642 ND2 ASN A 45 5.489 4.931 -1.383 1.00 0.00 N ATOM 0 H ASN A 45 5.104 2.730 -3.496 1.00 0.00 H new ATOM 0 HA ASN A 45 2.621 3.027 -2.191 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.538 4.805 -3.694 1.00 0.00 H new ATOM 0 HB3 ASN A 45 2.951 5.431 -3.293 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.869 5.126 -0.457 1.00 0.00 H new ATOM 0 HD22 ASN A 45 6.115 4.680 -2.148 1.00 0.00 H new ATOM 649 N LYS A 46 2.565 3.206 -5.485 1.00 0.00 N ATOM 650 CA LYS A 46 1.685 3.167 -6.647 1.00 0.00 C ATOM 651 C LYS A 46 0.791 1.931 -6.611 1.00 0.00 C ATOM 652 O LYS A 46 -0.416 2.021 -6.829 1.00 0.00 O ATOM 653 CB LYS A 46 2.509 3.175 -7.937 1.00 0.00 C ATOM 654 CG LYS A 46 1.665 3.120 -9.198 1.00 0.00 C ATOM 655 CD LYS A 46 1.300 4.512 -9.687 1.00 0.00 C ATOM 656 CE LYS A 46 0.044 4.489 -10.545 1.00 0.00 C ATOM 657 NZ LYS A 46 0.334 4.058 -11.940 1.00 0.00 N ATOM 0 H LYS A 46 3.560 3.192 -5.709 1.00 0.00 H new ATOM 0 HA LYS A 46 1.052 4.054 -6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.123 4.075 -7.960 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.190 2.324 -7.928 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.211 2.591 -9.979 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.755 2.552 -9.003 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.146 5.171 -8.832 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.128 4.925 -10.263 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.687 3.814 -10.101 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.406 5.482 -10.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.547 4.055 -12.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.012 4.717 -12.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.739 3.100 -11.930 1.00 0.00 H new ATOM 671 N ALA A 47 1.393 0.779 -6.333 1.00 0.00 N ATOM 672 CA ALA A 47 0.650 -0.473 -6.265 1.00 0.00 C ATOM 673 C ALA A 47 -0.228 -0.524 -5.019 1.00 0.00 C ATOM 674 O ALA A 47 -1.336 -1.059 -5.050 1.00 0.00 O ATOM 675 CB ALA A 47 1.607 -1.656 -6.286 1.00 0.00 C ATOM 0 H ALA A 47 2.392 0.687 -6.151 1.00 0.00 H new ATOM 0 HA ALA A 47 0.000 -0.529 -7.138 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.039 -2.585 -6.235 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.189 -1.637 -7.208 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.280 -1.595 -5.431 1.00 0.00 H new ATOM 681 N TYR A 48 0.273 0.037 -3.924 1.00 0.00 N ATOM 682 CA TYR A 48 -0.465 0.053 -2.667 1.00 0.00 C ATOM 683 C TYR A 48 -1.701 0.941 -2.772 1.00 0.00 C ATOM 684 O TYR A 48 -2.741 0.649 -2.182 1.00 0.00 O ATOM 685 CB TYR A 48 0.434 0.543 -1.530 1.00 0.00 C ATOM 686 CG TYR A 48 -0.327 1.174 -0.386 1.00 0.00 C ATOM 687 CD1 TYR A 48 -0.625 2.531 -0.389 1.00 0.00 C ATOM 688 CD2 TYR A 48 -0.749 0.414 0.697 1.00 0.00 C ATOM 689 CE1 TYR A 48 -1.319 3.113 0.654 1.00 0.00 C ATOM 690 CE2 TYR A 48 -1.445 0.986 1.744 1.00 0.00 C ATOM 691 CZ TYR A 48 -1.728 2.336 1.718 1.00 0.00 C ATOM 692 OH TYR A 48 -2.421 2.911 2.759 1.00 0.00 O ATOM 0 H TYR A 48 1.188 0.487 -3.882 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.789 -0.965 -2.452 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.015 -0.297 -1.149 1.00 0.00 H new ATOM 0 HB3 TYR A 48 1.145 1.268 -1.927 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.308 3.142 -1.222 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.529 -0.643 0.721 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -1.540 4.170 0.637 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.766 0.380 2.578 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.027 2.249 3.154 1.00 0.00 H new ATOM 702 N ARG A 49 -1.579 2.026 -3.529 1.00 0.00 N ATOM 703 CA ARG A 49 -2.685 2.958 -3.713 1.00 0.00 C ATOM 704 C ARG A 49 -3.798 2.325 -4.543 1.00 0.00 C ATOM 705 O ARG A 49 -4.896 2.077 -4.044 1.00 0.00 O ATOM 706 CB ARG A 49 -2.194 4.238 -4.391 1.00 0.00 C ATOM 707 CG ARG A 49 -1.518 5.211 -3.439 1.00 0.00 C ATOM 708 CD ARG A 49 -1.153 6.512 -4.137 1.00 0.00 C ATOM 709 NE ARG A 49 -2.324 7.175 -4.705 1.00 0.00 N ATOM 710 CZ ARG A 49 -2.818 6.893 -5.905 1.00 0.00 C ATOM 711 NH1 ARG A 49 -2.247 5.965 -6.660 1.00 0.00 N ATOM 712 NH2 ARG A 49 -3.887 7.540 -6.353 1.00 0.00 N ATOM 0 H ARG A 49 -0.725 2.282 -4.025 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.085 3.206 -2.730 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.494 3.974 -5.184 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.040 4.735 -4.865 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.181 5.421 -2.600 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.619 4.753 -3.027 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.667 7.181 -3.427 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.432 6.309 -4.929 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.788 7.894 -4.150 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.426 5.465 -6.320 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.629 5.751 -7.581 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.330 8.255 -5.775 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.266 7.323 -7.275 1.00 0.00 H new ATOM 726 N LYS A 50 -3.506 2.065 -5.813 1.00 0.00 N ATOM 727 CA LYS A 50 -4.481 1.460 -6.714 1.00 0.00 C ATOM 728 C LYS A 50 -5.329 0.425 -5.982 1.00 0.00 C ATOM 729 O LYS A 50 -6.537 0.331 -6.200 1.00 0.00 O ATOM 730 CB LYS A 50 -3.771 0.806 -7.901 1.00 0.00 C ATOM 731 CG LYS A 50 -3.031 -0.471 -7.540 1.00 0.00 C ATOM 732 CD LYS A 50 -2.558 -1.211 -8.779 1.00 0.00 C ATOM 733 CE LYS A 50 -1.764 -2.457 -8.416 1.00 0.00 C ATOM 734 NZ LYS A 50 -2.654 -3.593 -8.048 1.00 0.00 N ATOM 0 H LYS A 50 -2.602 2.264 -6.242 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.138 2.248 -7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.505 0.584 -8.675 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.064 1.517 -8.327 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.175 -0.231 -6.910 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.685 -1.119 -6.956 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.418 -1.491 -9.387 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.940 -0.549 -9.386 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.136 -2.746 -9.259 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.097 -2.233 -7.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.076 -4.423 -7.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.236 -3.327 -7.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.273 -3.823 -8.851 1.00 0.00 H new ATOM 748 N LEU A 51 -4.689 -0.350 -5.112 1.00 0.00 N ATOM 749 CA LEU A 51 -5.385 -1.378 -4.346 1.00 0.00 C ATOM 750 C LEU A 51 -6.267 -0.752 -3.270 1.00 0.00 C ATOM 751 O LEU A 51 -7.474 -0.984 -3.230 1.00 0.00 O ATOM 752 CB LEU A 51 -4.378 -2.333 -3.704 1.00 0.00 C ATOM 753 CG LEU A 51 -4.857 -3.769 -3.490 1.00 0.00 C ATOM 754 CD1 LEU A 51 -5.097 -4.456 -4.825 1.00 0.00 C ATOM 755 CD2 LEU A 51 -3.848 -4.550 -2.661 1.00 0.00 C ATOM 0 H LEU A 51 -3.689 -0.286 -4.920 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.022 -1.938 -5.031 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.484 -2.359 -4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.082 -1.922 -2.739 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.800 -3.739 -2.945 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.437 -5.477 -4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.857 -3.910 -5.384 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.169 -4.474 -5.397 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.206 -5.570 -2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.889 -4.571 -3.179 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.725 -4.070 -1.690 1.00 0.00 H new ATOM 767 N ALA A 52 -5.654 0.046 -2.401 1.00 0.00 N ATOM 768 CA ALA A 52 -6.384 0.709 -1.327 1.00 0.00 C ATOM 769 C ALA A 52 -7.737 1.215 -1.815 1.00 0.00 C ATOM 770 O ALA A 52 -8.733 1.149 -1.093 1.00 0.00 O ATOM 771 CB ALA A 52 -5.562 1.857 -0.761 1.00 0.00 C ATOM 0 H ALA A 52 -4.655 0.249 -2.420 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.561 -0.020 -0.537 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.119 2.343 0.040 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.622 1.472 -0.367 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.355 2.580 -1.550 1.00 0.00 H new ATOM 777 N VAL A 53 -7.767 1.722 -3.043 1.00 0.00 N ATOM 778 CA VAL A 53 -8.999 2.239 -3.627 1.00 0.00 C ATOM 779 C VAL A 53 -9.980 1.112 -3.929 1.00 0.00 C ATOM 780 O VAL A 53 -11.191 1.270 -3.771 1.00 0.00 O ATOM 781 CB VAL A 53 -8.719 3.022 -4.924 1.00 0.00 C ATOM 782 CG1 VAL A 53 -10.019 3.522 -5.537 1.00 0.00 C ATOM 783 CG2 VAL A 53 -7.768 4.178 -4.654 1.00 0.00 C ATOM 0 H VAL A 53 -6.952 1.786 -3.653 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.440 2.912 -2.892 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.243 2.350 -5.638 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.802 4.073 -6.452 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.662 2.673 -5.768 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.526 4.179 -4.830 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.581 4.720 -5.581 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.214 4.853 -3.923 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.826 3.791 -4.264 1.00 0.00 H new ATOM 793 N LEU A 54 -9.450 -0.026 -4.362 1.00 0.00 N ATOM 794 CA LEU A 54 -10.279 -1.182 -4.685 1.00 0.00 C ATOM 795 C LEU A 54 -10.826 -1.831 -3.418 1.00 0.00 C ATOM 796 O LEU A 54 -11.997 -2.209 -3.357 1.00 0.00 O ATOM 797 CB LEU A 54 -9.473 -2.204 -5.489 1.00 0.00 C ATOM 798 CG LEU A 54 -10.225 -3.465 -5.917 1.00 0.00 C ATOM 799 CD1 LEU A 54 -11.186 -3.153 -7.053 1.00 0.00 C ATOM 800 CD2 LEU A 54 -9.247 -4.555 -6.328 1.00 0.00 C ATOM 0 H LEU A 54 -8.450 -0.173 -4.498 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.120 -0.838 -5.287 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.090 -1.712 -6.383 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.609 -2.504 -4.895 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.804 -3.826 -5.067 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.712 -4.062 -7.344 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.908 -2.405 -6.724 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.628 -2.768 -7.906 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.800 -5.445 -6.629 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.641 -4.204 -7.163 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.599 -4.798 -5.486 1.00 0.00 H new ATOM 812 N LEU A 55 -9.973 -1.955 -2.408 1.00 0.00 N ATOM 813 CA LEU A 55 -10.371 -2.557 -1.140 1.00 0.00 C ATOM 814 C LEU A 55 -10.944 -1.506 -0.195 1.00 0.00 C ATOM 815 O LEU A 55 -11.289 -1.806 0.949 1.00 0.00 O ATOM 816 CB LEU A 55 -9.175 -3.250 -0.484 1.00 0.00 C ATOM 817 CG LEU A 55 -8.336 -4.146 -1.396 1.00 0.00 C ATOM 818 CD1 LEU A 55 -7.022 -4.512 -0.723 1.00 0.00 C ATOM 819 CD2 LEU A 55 -9.112 -5.400 -1.773 1.00 0.00 C ATOM 0 H LEU A 55 -9.001 -1.647 -2.442 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.145 -3.297 -1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.524 -2.485 -0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.541 -3.852 0.347 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.112 -3.594 -2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.438 -5.150 -1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.460 -3.604 -0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.225 -5.045 0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.499 -6.026 -2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.368 -5.955 -0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.026 -5.119 -2.297 1.00 0.00 H new ATOM 831 N HIS A 56 -11.045 -0.272 -0.680 1.00 0.00 N ATOM 832 CA HIS A 56 -11.579 0.823 0.120 1.00 0.00 C ATOM 833 C HIS A 56 -12.932 0.450 0.718 1.00 0.00 C ATOM 834 O HIS A 56 -13.758 -0.207 0.084 1.00 0.00 O ATOM 835 CB HIS A 56 -11.716 2.086 -0.731 1.00 0.00 C ATOM 836 CG HIS A 56 -11.503 3.353 0.038 1.00 0.00 C ATOM 837 ND1 HIS A 56 -12.482 4.310 0.198 1.00 0.00 N ATOM 838 CD2 HIS A 56 -10.414 3.818 0.695 1.00 0.00 C ATOM 839 CE1 HIS A 56 -12.005 5.309 0.918 1.00 0.00 C ATOM 840 NE2 HIS A 56 -10.752 5.035 1.233 1.00 0.00 N ATOM 0 H HIS A 56 -10.764 -0.006 -1.624 1.00 0.00 H new ATOM 0 HA HIS A 56 -10.882 1.017 0.935 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -10.997 2.042 -1.549 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.709 2.106 -1.180 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.458 3.324 0.780 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -12.547 6.199 1.201 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -10.136 5.631 1.786 1.00 0.00 H new ATOM 848 N PRO A 57 -13.166 0.877 1.968 1.00 0.00 N ATOM 849 CA PRO A 57 -14.418 0.598 2.678 1.00 0.00 C ATOM 850 C PRO A 57 -15.600 1.362 2.091 1.00 0.00 C ATOM 851 O PRO A 57 -16.707 0.833 1.994 1.00 0.00 O ATOM 852 CB PRO A 57 -14.129 1.073 4.105 1.00 0.00 C ATOM 853 CG PRO A 57 -13.064 2.103 3.953 1.00 0.00 C ATOM 854 CD PRO A 57 -12.227 1.664 2.783 1.00 0.00 C ATOM 0 HA PRO A 57 -14.699 -0.453 2.612 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -15.021 1.492 4.571 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.796 0.249 4.737 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.496 3.088 3.776 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.461 2.177 4.858 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.831 2.516 2.230 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.373 1.066 3.102 1.00 0.00 H new ATOM 862 N ASP A 58 -15.357 2.609 1.701 1.00 0.00 N ATOM 863 CA ASP A 58 -16.402 3.445 1.122 1.00 0.00 C ATOM 864 C ASP A 58 -16.743 2.988 -0.293 1.00 0.00 C ATOM 865 O ASP A 58 -17.700 3.470 -0.899 1.00 0.00 O ATOM 866 CB ASP A 58 -15.962 4.910 1.106 1.00 0.00 C ATOM 867 CG ASP A 58 -17.003 5.821 0.487 1.00 0.00 C ATOM 868 OD1 ASP A 58 -18.106 5.936 1.061 1.00 0.00 O ATOM 869 OD2 ASP A 58 -16.716 6.418 -0.572 1.00 0.00 O ATOM 0 H ASP A 58 -14.446 3.062 1.775 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.294 3.348 1.740 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.759 5.236 2.126 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -15.029 5.000 0.550 1.00 0.00 H new ATOM 874 N LYS A 59 -15.953 2.056 -0.814 1.00 0.00 N ATOM 875 CA LYS A 59 -16.169 1.532 -2.157 1.00 0.00 C ATOM 876 C LYS A 59 -16.469 0.037 -2.117 1.00 0.00 C ATOM 877 O LYS A 59 -17.147 -0.494 -2.998 1.00 0.00 O ATOM 878 CB LYS A 59 -14.941 1.793 -3.033 1.00 0.00 C ATOM 879 CG LYS A 59 -14.782 3.248 -3.439 1.00 0.00 C ATOM 880 CD LYS A 59 -13.854 3.395 -4.632 1.00 0.00 C ATOM 881 CE LYS A 59 -14.123 4.685 -5.393 1.00 0.00 C ATOM 882 NZ LYS A 59 -13.435 4.705 -6.713 1.00 0.00 N ATOM 0 H LYS A 59 -15.156 1.647 -0.326 1.00 0.00 H new ATOM 0 HA LYS A 59 -17.029 2.046 -2.585 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -14.048 1.475 -2.496 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -15.009 1.179 -3.931 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -15.758 3.668 -3.682 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -14.389 3.820 -2.599 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.818 3.381 -4.292 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.982 2.544 -5.301 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -15.197 4.802 -5.541 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.789 5.534 -4.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.644 5.600 -7.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.408 4.619 -6.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.772 3.910 -7.292 1.00 0.00 H new ATOM 896 N CYS A 60 -15.962 -0.636 -1.090 1.00 0.00 N ATOM 897 CA CYS A 60 -16.176 -2.070 -0.934 1.00 0.00 C ATOM 898 C CYS A 60 -16.772 -2.386 0.434 1.00 0.00 C ATOM 899 O CYS A 60 -16.072 -2.370 1.446 1.00 0.00 O ATOM 900 CB CYS A 60 -14.860 -2.826 -1.117 1.00 0.00 C ATOM 901 SG CYS A 60 -15.062 -4.545 -1.642 1.00 0.00 S ATOM 0 H CYS A 60 -15.400 -0.211 -0.353 1.00 0.00 H new ATOM 0 HA CYS A 60 -16.881 -2.392 -1.700 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -14.252 -2.302 -1.854 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -14.309 -2.807 -0.177 1.00 0.00 H new ATOM 0 HG CYS A 60 -16.183 -5.011 -1.178 1.00 0.00 H new ATOM 907 N VAL A 61 -18.070 -2.671 0.457 1.00 0.00 N ATOM 908 CA VAL A 61 -18.761 -2.989 1.700 1.00 0.00 C ATOM 909 C VAL A 61 -18.676 -4.480 2.010 1.00 0.00 C ATOM 910 O VAL A 61 -19.325 -4.970 2.933 1.00 0.00 O ATOM 911 CB VAL A 61 -20.243 -2.573 1.642 1.00 0.00 C ATOM 912 CG1 VAL A 61 -20.368 -1.064 1.501 1.00 0.00 C ATOM 913 CG2 VAL A 61 -20.951 -3.284 0.499 1.00 0.00 C ATOM 0 H VAL A 61 -18.664 -2.688 -0.372 1.00 0.00 H new ATOM 0 HA VAL A 61 -18.264 -2.426 2.490 1.00 0.00 H new ATOM 0 HB VAL A 61 -20.723 -2.868 2.575 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -21.422 -0.788 1.462 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -19.898 -0.578 2.356 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -19.874 -0.742 0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -21.997 -2.978 0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -20.473 -3.022 -0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -20.892 -4.362 0.649 1.00 0.00 H new ATOM 923 N ALA A 62 -17.869 -5.195 1.233 1.00 0.00 N ATOM 924 CA ALA A 62 -17.696 -6.629 1.426 1.00 0.00 C ATOM 925 C ALA A 62 -17.249 -6.941 2.850 1.00 0.00 C ATOM 926 O ALA A 62 -16.635 -6.118 3.528 1.00 0.00 O ATOM 927 CB ALA A 62 -16.693 -7.179 0.423 1.00 0.00 C ATOM 0 H ALA A 62 -17.325 -4.804 0.464 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.659 -7.112 1.262 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -16.573 -8.251 0.579 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -17.054 -6.997 -0.589 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.732 -6.683 0.560 1.00 0.00 H new ATOM 933 N PRO A 63 -17.563 -8.159 3.316 1.00 0.00 N ATOM 934 CA PRO A 63 -17.203 -8.608 4.664 1.00 0.00 C ATOM 935 C PRO A 63 -15.702 -8.828 4.820 1.00 0.00 C ATOM 936 O PRO A 63 -15.165 -8.752 5.925 1.00 0.00 O ATOM 937 CB PRO A 63 -17.955 -9.933 4.809 1.00 0.00 C ATOM 938 CG PRO A 63 -18.135 -10.422 3.413 1.00 0.00 C ATOM 939 CD PRO A 63 -18.293 -9.192 2.562 1.00 0.00 C ATOM 0 HA PRO A 63 -17.463 -7.869 5.422 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.389 -10.646 5.408 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.915 -9.791 5.305 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -17.276 -11.011 3.092 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -19.011 -11.066 3.335 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -17.873 -9.335 1.567 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -19.342 -8.927 2.430 1.00 0.00 H new ATOM 947 N GLY A 64 -15.029 -9.100 3.706 1.00 0.00 N ATOM 948 CA GLY A 64 -13.596 -9.326 3.742 1.00 0.00 C ATOM 949 C GLY A 64 -12.804 -8.093 3.353 1.00 0.00 C ATOM 950 O GLY A 64 -11.678 -7.900 3.809 1.00 0.00 O ATOM 0 H GLY A 64 -15.451 -9.168 2.780 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.306 -9.639 4.745 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.343 -10.144 3.067 1.00 0.00 H new ATOM 954 N SER A 65 -13.395 -7.256 2.505 1.00 0.00 N ATOM 955 CA SER A 65 -12.735 -6.037 2.050 1.00 0.00 C ATOM 956 C SER A 65 -11.999 -5.356 3.200 1.00 0.00 C ATOM 957 O SER A 65 -10.907 -4.819 3.019 1.00 0.00 O ATOM 958 CB SER A 65 -13.758 -5.075 1.443 1.00 0.00 C ATOM 959 OG SER A 65 -14.709 -4.665 2.410 1.00 0.00 O ATOM 0 H SER A 65 -14.328 -7.400 2.120 1.00 0.00 H new ATOM 0 HA SER A 65 -12.006 -6.310 1.287 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.246 -4.202 1.039 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.267 -5.559 0.610 1.00 0.00 H new ATOM 0 HG SER A 65 -15.232 -5.440 2.704 1.00 0.00 H new ATOM 965 N GLU A 66 -12.607 -5.382 4.382 1.00 0.00 N ATOM 966 CA GLU A 66 -12.010 -4.767 5.561 1.00 0.00 C ATOM 967 C GLU A 66 -10.670 -5.417 5.895 1.00 0.00 C ATOM 968 O GLU A 66 -9.640 -4.746 5.957 1.00 0.00 O ATOM 969 CB GLU A 66 -12.957 -4.880 6.758 1.00 0.00 C ATOM 970 CG GLU A 66 -12.334 -4.436 8.071 1.00 0.00 C ATOM 971 CD GLU A 66 -12.908 -5.171 9.266 1.00 0.00 C ATOM 972 OE1 GLU A 66 -13.384 -6.312 9.090 1.00 0.00 O ATOM 973 OE2 GLU A 66 -12.880 -4.605 10.379 1.00 0.00 O ATOM 0 H GLU A 66 -13.512 -5.822 4.548 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.838 -3.713 5.341 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.846 -4.279 6.566 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.287 -5.915 6.853 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.257 -4.599 8.032 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.489 -3.365 8.199 1.00 0.00 H new ATOM 980 N ASP A 67 -10.693 -6.728 6.110 1.00 0.00 N ATOM 981 CA ASP A 67 -9.482 -7.470 6.438 1.00 0.00 C ATOM 982 C ASP A 67 -8.385 -7.199 5.413 1.00 0.00 C ATOM 983 O ASP A 67 -7.211 -7.080 5.763 1.00 0.00 O ATOM 984 CB ASP A 67 -9.778 -8.969 6.501 1.00 0.00 C ATOM 985 CG ASP A 67 -8.732 -9.733 7.289 1.00 0.00 C ATOM 986 OD1 ASP A 67 -8.898 -9.869 8.520 1.00 0.00 O ATOM 987 OD2 ASP A 67 -7.748 -10.196 6.675 1.00 0.00 O ATOM 0 H ASP A 67 -11.537 -7.298 6.063 1.00 0.00 H new ATOM 0 HA ASP A 67 -9.133 -7.135 7.415 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.756 -9.124 6.956 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.830 -9.369 5.488 1.00 0.00 H new ATOM 992 N ALA A 68 -8.775 -7.103 4.147 1.00 0.00 N ATOM 993 CA ALA A 68 -7.825 -6.845 3.072 1.00 0.00 C ATOM 994 C ALA A 68 -7.111 -5.513 3.278 1.00 0.00 C ATOM 995 O ALA A 68 -5.882 -5.459 3.336 1.00 0.00 O ATOM 996 CB ALA A 68 -8.534 -6.862 1.725 1.00 0.00 C ATOM 0 H ALA A 68 -9.743 -7.200 3.840 1.00 0.00 H new ATOM 0 HA ALA A 68 -7.075 -7.636 3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.812 -6.668 0.932 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.993 -7.838 1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.305 -6.092 1.710 1.00 0.00 H new ATOM 1002 N PHE A 69 -7.888 -4.441 3.389 1.00 0.00 N ATOM 1003 CA PHE A 69 -7.329 -3.109 3.587 1.00 0.00 C ATOM 1004 C PHE A 69 -6.257 -3.125 4.673 1.00 0.00 C ATOM 1005 O PHE A 69 -5.183 -2.545 4.511 1.00 0.00 O ATOM 1006 CB PHE A 69 -8.434 -2.119 3.961 1.00 0.00 C ATOM 1007 CG PHE A 69 -7.980 -0.688 3.967 1.00 0.00 C ATOM 1008 CD1 PHE A 69 -7.223 -0.183 2.923 1.00 0.00 C ATOM 1009 CD2 PHE A 69 -8.310 0.153 5.018 1.00 0.00 C ATOM 1010 CE1 PHE A 69 -6.803 1.135 2.925 1.00 0.00 C ATOM 1011 CE2 PHE A 69 -7.894 1.471 5.026 1.00 0.00 C ATOM 1012 CZ PHE A 69 -7.139 1.962 3.979 1.00 0.00 C ATOM 0 H PHE A 69 -8.907 -4.469 3.345 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.869 -2.793 2.651 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.260 -2.227 3.258 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.820 -2.373 4.948 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.957 -0.826 2.097 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.899 -0.226 5.840 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.214 1.516 2.104 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -8.159 2.116 5.850 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.812 2.991 3.984 1.00 0.00 H new ATOM 1022 N LYS A 70 -6.556 -3.794 5.781 1.00 0.00 N ATOM 1023 CA LYS A 70 -5.620 -3.888 6.895 1.00 0.00 C ATOM 1024 C LYS A 70 -4.316 -4.546 6.456 1.00 0.00 C ATOM 1025 O LYS A 70 -3.229 -4.058 6.764 1.00 0.00 O ATOM 1026 CB LYS A 70 -6.242 -4.683 8.045 1.00 0.00 C ATOM 1027 CG LYS A 70 -7.005 -3.822 9.037 1.00 0.00 C ATOM 1028 CD LYS A 70 -8.149 -4.590 9.678 1.00 0.00 C ATOM 1029 CE LYS A 70 -7.638 -5.643 10.649 1.00 0.00 C ATOM 1030 NZ LYS A 70 -6.867 -5.037 11.770 1.00 0.00 N ATOM 0 H LYS A 70 -7.440 -4.280 5.932 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.399 -2.877 7.237 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.917 -5.433 7.633 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.454 -5.219 8.573 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.325 -3.468 9.811 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.397 -2.941 8.529 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.805 -3.896 10.204 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.747 -5.068 8.902 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.481 -6.206 11.050 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.006 -6.353 10.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.827 -5.706 12.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.901 -4.822 11.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.333 -4.160 12.078 1.00 0.00 H new ATOM 1044 N ALA A 71 -4.432 -5.656 5.733 1.00 0.00 N ATOM 1045 CA ALA A 71 -3.262 -6.378 5.249 1.00 0.00 C ATOM 1046 C ALA A 71 -2.392 -5.486 4.370 1.00 0.00 C ATOM 1047 O ALA A 71 -1.174 -5.426 4.542 1.00 0.00 O ATOM 1048 CB ALA A 71 -3.690 -7.621 4.482 1.00 0.00 C ATOM 0 H ALA A 71 -5.324 -6.074 5.470 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.670 -6.682 6.112 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.807 -8.151 4.126 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.265 -8.274 5.139 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.306 -7.329 3.631 1.00 0.00 H new ATOM 1054 N VAL A 72 -3.023 -4.794 3.427 1.00 0.00 N ATOM 1055 CA VAL A 72 -2.306 -3.905 2.522 1.00 0.00 C ATOM 1056 C VAL A 72 -1.357 -2.990 3.287 1.00 0.00 C ATOM 1057 O VAL A 72 -0.153 -2.971 3.029 1.00 0.00 O ATOM 1058 CB VAL A 72 -3.278 -3.041 1.696 1.00 0.00 C ATOM 1059 CG1 VAL A 72 -2.511 -2.114 0.766 1.00 0.00 C ATOM 1060 CG2 VAL A 72 -4.237 -3.923 0.910 1.00 0.00 C ATOM 0 H VAL A 72 -4.030 -4.832 3.270 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.731 -4.539 1.847 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.862 -2.427 2.381 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.215 -1.512 0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.869 -1.459 1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.899 -2.706 0.085 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.917 -3.297 0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.671 -4.564 0.234 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.811 -4.541 1.600 1.00 0.00 H new ATOM 1070 N VAL A 73 -1.906 -2.233 4.231 1.00 0.00 N ATOM 1071 CA VAL A 73 -1.108 -1.316 5.037 1.00 0.00 C ATOM 1072 C VAL A 73 0.092 -2.027 5.653 1.00 0.00 C ATOM 1073 O VAL A 73 1.235 -1.617 5.459 1.00 0.00 O ATOM 1074 CB VAL A 73 -1.947 -0.681 6.162 1.00 0.00 C ATOM 1075 CG1 VAL A 73 -1.075 0.194 7.050 1.00 0.00 C ATOM 1076 CG2 VAL A 73 -3.100 0.120 5.578 1.00 0.00 C ATOM 0 H VAL A 73 -2.901 -2.236 4.457 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.757 -0.530 4.368 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.363 -1.479 6.776 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.685 0.634 7.839 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.287 -0.412 7.496 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.628 0.988 6.452 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.682 0.562 6.387 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.707 0.911 4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.738 -0.538 4.989 1.00 0.00 H new ATOM 1086 N ASN A 74 -0.178 -3.097 6.395 1.00 0.00 N ATOM 1087 CA ASN A 74 0.880 -3.866 7.039 1.00 0.00 C ATOM 1088 C ASN A 74 1.834 -4.453 6.004 1.00 0.00 C ATOM 1089 O ASN A 74 2.911 -4.943 6.344 1.00 0.00 O ATOM 1090 CB ASN A 74 0.278 -4.988 7.889 1.00 0.00 C ATOM 1091 CG ASN A 74 -0.097 -4.520 9.282 1.00 0.00 C ATOM 1092 OD1 ASN A 74 0.703 -3.890 9.973 1.00 0.00 O ATOM 1093 ND2 ASN A 74 -1.319 -4.829 9.700 1.00 0.00 N ATOM 0 H ASN A 74 -1.120 -3.450 6.565 1.00 0.00 H new ATOM 0 HA ASN A 74 1.443 -3.192 7.684 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.607 -5.383 7.391 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.993 -5.807 7.964 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -1.628 -4.542 10.629 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.949 -5.353 9.092 1.00 0.00 H new ATOM 1100 N ALA A 75 1.431 -4.400 4.738 1.00 0.00 N ATOM 1101 CA ALA A 75 2.250 -4.924 3.653 1.00 0.00 C ATOM 1102 C ALA A 75 3.143 -3.836 3.065 1.00 0.00 C ATOM 1103 O ALA A 75 4.336 -4.049 2.849 1.00 0.00 O ATOM 1104 CB ALA A 75 1.368 -5.527 2.570 1.00 0.00 C ATOM 0 H ALA A 75 0.542 -3.999 4.439 1.00 0.00 H new ATOM 0 HA ALA A 75 2.892 -5.705 4.060 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.993 -5.915 1.766 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.776 -6.339 2.993 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.702 -4.760 2.174 1.00 0.00 H new ATOM 1110 N ARG A 76 2.558 -2.671 2.808 1.00 0.00 N ATOM 1111 CA ARG A 76 3.301 -1.551 2.244 1.00 0.00 C ATOM 1112 C ARG A 76 4.269 -0.969 3.269 1.00 0.00 C ATOM 1113 O ARG A 76 5.486 -1.002 3.080 1.00 0.00 O ATOM 1114 CB ARG A 76 2.338 -0.464 1.761 1.00 0.00 C ATOM 1115 CG ARG A 76 3.016 0.866 1.476 1.00 0.00 C ATOM 1116 CD ARG A 76 2.062 2.032 1.684 1.00 0.00 C ATOM 1117 NE ARG A 76 2.192 2.613 3.018 1.00 0.00 N ATOM 1118 CZ ARG A 76 1.841 3.859 3.314 1.00 0.00 C ATOM 1119 NH1 ARG A 76 1.340 4.651 2.376 1.00 0.00 N ATOM 1120 NH2 ARG A 76 1.989 4.316 4.551 1.00 0.00 N ATOM 0 H ARG A 76 1.572 -2.478 2.981 1.00 0.00 H new ATOM 0 HA ARG A 76 3.877 -1.920 1.395 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.838 -0.809 0.856 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.565 -0.314 2.515 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.882 0.982 2.128 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.386 0.875 0.451 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.257 2.798 0.934 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.037 1.693 1.534 1.00 0.00 H new ATOM 0 HE ARG A 76 2.573 2.030 3.763 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.223 4.304 1.424 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.071 5.608 2.606 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.373 3.710 5.276 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.719 5.273 4.777 1.00 0.00 H new ATOM 1134 N THR A 77 3.721 -0.434 4.356 1.00 0.00 N ATOM 1135 CA THR A 77 4.535 0.157 5.411 1.00 0.00 C ATOM 1136 C THR A 77 5.684 -0.766 5.801 1.00 0.00 C ATOM 1137 O THR A 77 6.806 -0.314 6.030 1.00 0.00 O ATOM 1138 CB THR A 77 3.694 0.468 6.663 1.00 0.00 C ATOM 1139 OG1 THR A 77 2.698 1.449 6.352 1.00 0.00 O ATOM 1140 CG2 THR A 77 4.575 0.973 7.795 1.00 0.00 C ATOM 0 H THR A 77 2.716 -0.398 4.529 1.00 0.00 H new ATOM 0 HA THR A 77 4.939 1.088 5.014 1.00 0.00 H new ATOM 0 HB THR A 77 3.208 -0.453 6.986 1.00 0.00 H new ATOM 0 HG1 THR A 77 2.166 1.640 7.153 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.959 1.186 8.668 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.313 0.212 8.049 1.00 0.00 H new ATOM 0 HG23 THR A 77 5.085 1.883 7.480 1.00 0.00 H new ATOM 1148 N ALA A 78 5.398 -2.062 5.874 1.00 0.00 N ATOM 1149 CA ALA A 78 6.409 -3.048 6.234 1.00 0.00 C ATOM 1150 C ALA A 78 7.572 -3.027 5.249 1.00 0.00 C ATOM 1151 O ALA A 78 8.724 -2.824 5.637 1.00 0.00 O ATOM 1152 CB ALA A 78 5.791 -4.438 6.294 1.00 0.00 C ATOM 0 H ALA A 78 4.474 -2.453 5.689 1.00 0.00 H new ATOM 0 HA ALA A 78 6.798 -2.791 7.219 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.557 -5.165 6.564 1.00 0.00 H new ATOM 0 HB2 ALA A 78 4.998 -4.452 7.042 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.375 -4.694 5.319 1.00 0.00 H new ATOM 1158 N LEU A 79 7.266 -3.238 3.974 1.00 0.00 N ATOM 1159 CA LEU A 79 8.287 -3.243 2.932 1.00 0.00 C ATOM 1160 C LEU A 79 9.088 -1.945 2.948 1.00 0.00 C ATOM 1161 O LEU A 79 10.304 -1.955 3.145 1.00 0.00 O ATOM 1162 CB LEU A 79 7.642 -3.441 1.559 1.00 0.00 C ATOM 1163 CG LEU A 79 6.837 -4.728 1.375 1.00 0.00 C ATOM 1164 CD1 LEU A 79 5.858 -4.584 0.220 1.00 0.00 C ATOM 1165 CD2 LEU A 79 7.767 -5.910 1.144 1.00 0.00 C ATOM 0 H LEU A 79 6.319 -3.408 3.636 1.00 0.00 H new ATOM 0 HA LEU A 79 8.968 -4.071 3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.985 -2.594 1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.428 -3.416 0.804 1.00 0.00 H new ATOM 0 HG LEU A 79 6.268 -4.912 2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.294 -5.509 0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.171 -3.763 0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.407 -4.376 -0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.177 -6.817 1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.363 -5.734 0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.428 -6.026 2.003 1.00 0.00 H new ATOM 1177 N LEU A 80 8.398 -0.828 2.741 1.00 0.00 N ATOM 1178 CA LEU A 80 9.045 0.480 2.734 1.00 0.00 C ATOM 1179 C LEU A 80 10.135 0.554 3.799 1.00 0.00 C ATOM 1180 O LEU A 80 11.263 0.962 3.521 1.00 0.00 O ATOM 1181 CB LEU A 80 8.011 1.583 2.968 1.00 0.00 C ATOM 1182 CG LEU A 80 6.892 1.685 1.931 1.00 0.00 C ATOM 1183 CD1 LEU A 80 6.027 2.907 2.197 1.00 0.00 C ATOM 1184 CD2 LEU A 80 7.472 1.736 0.524 1.00 0.00 C ATOM 0 H LEU A 80 7.392 -0.802 2.576 1.00 0.00 H new ATOM 0 HA LEU A 80 9.507 0.625 1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.558 1.427 3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.532 2.540 3.006 1.00 0.00 H new ATOM 0 HG LEU A 80 6.265 0.797 2.013 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.236 2.963 1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.583 2.829 3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.641 3.806 2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.662 1.808 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.122 2.606 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.048 0.830 0.335 1.00 0.00 H new ATOM 1196 N LYS A 81 9.791 0.156 5.019 1.00 0.00 N ATOM 1197 CA LYS A 81 10.740 0.174 6.126 1.00 0.00 C ATOM 1198 C LYS A 81 12.030 -0.547 5.748 1.00 0.00 C ATOM 1199 O LYS A 81 13.125 -0.095 6.079 1.00 0.00 O ATOM 1200 CB LYS A 81 10.122 -0.478 7.365 1.00 0.00 C ATOM 1201 CG LYS A 81 9.092 0.394 8.061 1.00 0.00 C ATOM 1202 CD LYS A 81 8.519 -0.293 9.290 1.00 0.00 C ATOM 1203 CE LYS A 81 7.280 0.425 9.803 1.00 0.00 C ATOM 1204 NZ LYS A 81 7.074 0.202 11.261 1.00 0.00 N ATOM 0 H LYS A 81 8.861 -0.183 5.266 1.00 0.00 H new ATOM 0 HA LYS A 81 10.978 1.213 6.351 1.00 0.00 H new ATOM 0 HB2 LYS A 81 9.653 -1.418 7.075 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.916 -0.722 8.071 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.551 1.339 8.352 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.286 0.631 7.367 1.00 0.00 H new ATOM 0 HD2 LYS A 81 8.268 -1.326 9.047 1.00 0.00 H new ATOM 0 HD3 LYS A 81 9.274 -0.325 10.076 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.373 1.493 9.608 1.00 0.00 H new ATOM 0 HE3 LYS A 81 6.405 0.076 9.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.220 0.707 11.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 6.960 -0.815 11.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 7.898 0.558 11.786 1.00 0.00 H new ATOM 1218 N ASN A 82 11.892 -1.671 5.052 1.00 0.00 N ATOM 1219 CA ASN A 82 13.047 -2.455 4.629 1.00 0.00 C ATOM 1220 C ASN A 82 13.786 -1.761 3.488 1.00 0.00 C ATOM 1221 O ASN A 82 15.014 -1.805 3.414 1.00 0.00 O ATOM 1222 CB ASN A 82 12.608 -3.853 4.191 1.00 0.00 C ATOM 1223 CG ASN A 82 12.466 -4.807 5.361 1.00 0.00 C ATOM 1224 OD1 ASN A 82 11.364 -5.254 5.682 1.00 0.00 O ATOM 1225 ND2 ASN A 82 13.583 -5.123 6.006 1.00 0.00 N ATOM 0 H ASN A 82 10.992 -2.059 4.769 1.00 0.00 H new ATOM 0 HA ASN A 82 13.725 -2.544 5.478 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.656 -3.784 3.665 1.00 0.00 H new ATOM 0 HB3 ASN A 82 13.335 -4.254 3.484 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.549 -5.760 6.802 1.00 0.00 H new ATOM 0 HD22 ASN A 82 14.474 -4.729 5.705 1.00 0.00 H new ATOM 1232 N ILE A 83 13.029 -1.122 2.602 1.00 0.00 N ATOM 1233 CA ILE A 83 13.613 -0.418 1.467 1.00 0.00 C ATOM 1234 C ILE A 83 14.499 0.733 1.930 1.00 0.00 C ATOM 1235 O ILE A 83 15.591 0.942 1.402 1.00 0.00 O ATOM 1236 CB ILE A 83 12.524 0.134 0.527 1.00 0.00 C ATOM 1237 CG1 ILE A 83 11.664 -1.008 -0.018 1.00 0.00 C ATOM 1238 CG2 ILE A 83 13.157 0.919 -0.612 1.00 0.00 C ATOM 1239 CD1 ILE A 83 10.354 -0.546 -0.615 1.00 0.00 C ATOM 0 H ILE A 83 12.011 -1.077 2.648 1.00 0.00 H new ATOM 0 HA ILE A 83 14.219 -1.143 0.924 1.00 0.00 H new ATOM 0 HB ILE A 83 11.882 0.808 1.094 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.230 -1.548 -0.778 1.00 0.00 H new ATOM 0 HG13 ILE A 83 11.458 -1.713 0.787 1.00 0.00 H new ATOM 0 HG21 ILE A 83 12.375 1.303 -1.268 1.00 0.00 H new ATOM 0 HG22 ILE A 83 13.731 1.752 -0.205 1.00 0.00 H new ATOM 0 HG23 ILE A 83 13.819 0.266 -1.180 1.00 0.00 H new ATOM 0 HD11 ILE A 83 9.797 -1.408 -0.981 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.768 -0.032 0.147 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.551 0.136 -1.442 1.00 0.00 H new ATOM 1251 N LYS A 84 14.023 1.477 2.923 1.00 0.00 N ATOM 1252 CA LYS A 84 14.773 2.606 3.462 1.00 0.00 C ATOM 1253 C LYS A 84 16.094 2.142 4.066 1.00 0.00 C ATOM 1254 O LYS A 84 16.114 1.450 5.084 1.00 0.00 O ATOM 1255 CB LYS A 84 13.944 3.336 4.521 1.00 0.00 C ATOM 1256 CG LYS A 84 14.483 4.712 4.873 1.00 0.00 C ATOM 1257 CD LYS A 84 13.925 5.783 3.951 1.00 0.00 C ATOM 1258 CE LYS A 84 14.398 7.170 4.358 1.00 0.00 C ATOM 1259 NZ LYS A 84 13.595 8.242 3.707 1.00 0.00 N ATOM 0 H LYS A 84 13.121 1.318 3.371 1.00 0.00 H new ATOM 0 HA LYS A 84 14.989 3.292 2.643 1.00 0.00 H new ATOM 0 HB2 LYS A 84 12.920 3.437 4.162 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.907 2.727 5.425 1.00 0.00 H new ATOM 0 HG2 LYS A 84 14.227 4.950 5.905 1.00 0.00 H new ATOM 0 HG3 LYS A 84 15.571 4.705 4.807 1.00 0.00 H new ATOM 0 HD2 LYS A 84 14.233 5.579 2.926 1.00 0.00 H new ATOM 0 HD3 LYS A 84 12.836 5.749 3.969 1.00 0.00 H new ATOM 0 HE2 LYS A 84 14.332 7.273 5.441 1.00 0.00 H new ATOM 0 HE3 LYS A 84 15.448 7.289 4.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.948 9.172 4.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.678 8.159 2.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.597 8.144 3.983 1.00 0.00 H new ATOM 1273 N SER A 85 17.197 2.530 3.434 1.00 0.00 N ATOM 1274 CA SER A 85 18.523 2.153 3.908 1.00 0.00 C ATOM 1275 C SER A 85 19.406 3.384 4.091 1.00 0.00 C ATOM 1276 O SER A 85 19.795 4.032 3.120 1.00 0.00 O ATOM 1277 CB SER A 85 19.181 1.180 2.928 1.00 0.00 C ATOM 1278 OG SER A 85 20.216 0.444 3.556 1.00 0.00 O ATOM 0 H SER A 85 17.198 3.106 2.592 1.00 0.00 H new ATOM 0 HA SER A 85 18.410 1.662 4.875 1.00 0.00 H new ATOM 0 HB2 SER A 85 18.431 0.494 2.533 1.00 0.00 H new ATOM 0 HB3 SER A 85 19.586 1.732 2.080 1.00 0.00 H new ATOM 0 HG SER A 85 20.619 -0.172 2.909 1.00 0.00 H new ATOM 1284 N GLY A 86 19.719 3.700 5.344 1.00 0.00 N ATOM 1285 CA GLY A 86 20.553 4.852 5.633 1.00 0.00 C ATOM 1286 C GLY A 86 21.767 4.494 6.467 1.00 0.00 C ATOM 1287 O GLY A 86 21.661 4.177 7.652 1.00 0.00 O ATOM 0 H GLY A 86 19.410 3.179 6.164 1.00 0.00 H new ATOM 0 HA2 GLY A 86 20.880 5.304 4.697 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.962 5.601 6.160 1.00 0.00 H new ATOM 1291 N PRO A 87 22.953 4.541 5.843 1.00 0.00 N ATOM 1292 CA PRO A 87 24.215 4.222 6.516 1.00 0.00 C ATOM 1293 C PRO A 87 24.605 5.275 7.547 1.00 0.00 C ATOM 1294 O PRO A 87 24.453 6.474 7.312 1.00 0.00 O ATOM 1295 CB PRO A 87 25.231 4.192 5.371 1.00 0.00 C ATOM 1296 CG PRO A 87 24.645 5.073 4.322 1.00 0.00 C ATOM 1297 CD PRO A 87 23.154 4.911 4.432 1.00 0.00 C ATOM 0 HA PRO A 87 24.154 3.288 7.074 1.00 0.00 H new ATOM 0 HB2 PRO A 87 26.205 4.557 5.696 1.00 0.00 H new ATOM 0 HB3 PRO A 87 25.379 3.178 4.999 1.00 0.00 H new ATOM 0 HG2 PRO A 87 24.937 6.112 4.477 1.00 0.00 H new ATOM 0 HG3 PRO A 87 24.997 4.787 3.331 1.00 0.00 H new ATOM 0 HD2 PRO A 87 22.630 5.833 4.180 1.00 0.00 H new ATOM 0 HD3 PRO A 87 22.783 4.139 3.758 1.00 0.00 H new ATOM 1305 N SER A 88 25.110 4.821 8.690 1.00 0.00 N ATOM 1306 CA SER A 88 25.519 5.725 9.758 1.00 0.00 C ATOM 1307 C SER A 88 26.960 5.453 10.178 1.00 0.00 C ATOM 1308 O SER A 88 27.391 4.302 10.248 1.00 0.00 O ATOM 1309 CB SER A 88 24.588 5.577 10.964 1.00 0.00 C ATOM 1310 OG SER A 88 23.445 6.405 10.830 1.00 0.00 O ATOM 0 H SER A 88 25.246 3.832 8.900 1.00 0.00 H new ATOM 0 HA SER A 88 25.455 6.746 9.381 1.00 0.00 H new ATOM 0 HB2 SER A 88 24.278 4.537 11.063 1.00 0.00 H new ATOM 0 HB3 SER A 88 25.125 5.837 11.876 1.00 0.00 H new ATOM 0 HG SER A 88 22.865 6.291 11.612 1.00 0.00 H new ATOM 1316 N SER A 89 27.700 6.521 10.456 1.00 0.00 N ATOM 1317 CA SER A 89 29.095 6.400 10.865 1.00 0.00 C ATOM 1318 C SER A 89 29.225 5.498 12.089 1.00 0.00 C ATOM 1319 O SER A 89 29.986 4.531 12.084 1.00 0.00 O ATOM 1320 CB SER A 89 29.681 7.780 11.169 1.00 0.00 C ATOM 1321 OG SER A 89 30.239 8.364 10.005 1.00 0.00 O ATOM 0 H SER A 89 27.357 7.480 10.406 1.00 0.00 H new ATOM 0 HA SER A 89 29.652 5.950 10.043 1.00 0.00 H new ATOM 0 HB2 SER A 89 28.902 8.430 11.568 1.00 0.00 H new ATOM 0 HB3 SER A 89 30.448 7.692 11.939 1.00 0.00 H new ATOM 0 HG SER A 89 30.605 9.246 10.225 1.00 0.00 H new ATOM 1327 N GLY A 90 28.476 5.823 13.138 1.00 0.00 N ATOM 1328 CA GLY A 90 28.522 5.034 14.356 1.00 0.00 C ATOM 1329 C GLY A 90 29.328 5.704 15.451 1.00 0.00 C ATOM 1330 O GLY A 90 28.804 5.998 16.525 1.00 0.00 O ATOM 0 H GLY A 90 27.838 6.618 13.167 1.00 0.00 H new ATOM 0 HA2 GLY A 90 27.506 4.860 14.711 1.00 0.00 H new ATOM 0 HA3 GLY A 90 28.954 4.058 14.137 1.00 0.00 H new TER 1334 GLY A 90