USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 819 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 87 GLN : amide:sc= -0.242 K(o=-1.9,f=-3.5!) USER MOD Set 1.2: A 90 MET CE :methyl 167:sc= -1.7! (180deg=-2.02!) USER MOD Set 2.1: A 29 THR OG1 : rot 180:sc= 0.994 USER MOD Set 2.2: A 83 THR OG1 : rot -74:sc= 1.18 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -140:sc= -1.49 (180deg=-5.27!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= -0.0241 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 1.16 K(o=1.2,f=-0.2) USER MOD Single : A 27 ASN :FLIP amide:sc= -0.332 F(o=-2.7!,f=-0.33) USER MOD Single : A 28 CYS SG : rot 170:sc= 0 USER MOD Single : A 30 SER OG : rot 156:sc= 1.31 USER MOD Single : A 31 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0756) USER MOD Single : A 33 SER OG : rot -88:sc= 1.27 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0182 USER MOD Single : A 44 SER OG : rot 91:sc= 1.21 USER MOD Single : A 46 MET CE :methyl 137:sc= -0.886 (180deg=-2.07) USER MOD Single : A 47 THR OG1 : rot 69:sc= 1.28 USER MOD Single : A 48 LYS NZ :NH3+ -160:sc= -0.119 (180deg=-0.471) USER MOD Single : A 50 LYS NZ :NH3+ -165:sc= -0.0919 (180deg=-0.409) USER MOD Single : A 57 SER OG : rot 87:sc= 1.25 USER MOD Single : A 58 SER OG : rot -22:sc= 1.28 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -143:sc= 1.18 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.0234 X(o=-0.023,f=0) USER MOD Single : A 85 SER OG : rot 86:sc= 0.567 USER MOD Single : A 86 CYS SG : rot 180:sc= -0.0108 USER MOD Single : A 96 SER OG : rot 75:sc= 1.2 USER MOD Single : A 99 SER OG : rot 72:sc= -0.287 USER MOD Single : A 104 HIS : no HE2:sc= 0.123 K(o=0.12,f=-0.52) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.404 X(o=-0.4,f=-0.45) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HD1:sc= -0.105 X(o=-0.11,f=-0.0022) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 28.870 16.345 30.249 1.00 0.00 N ATOM 2 CA MET A 1 29.097 16.350 28.788 1.00 52.33 C ATOM 3 C MET A 1 30.590 16.439 28.490 1.00 10.33 C ATOM 4 O MET A 1 31.180 17.521 28.520 1.00 14.20 O ATOM 5 CB MET A 1 28.349 17.518 28.130 1.00 42.11 C ATOM 6 CG MET A 1 28.598 17.640 26.633 1.00 61.44 C ATOM 7 SD MET A 1 28.171 16.139 25.729 1.00 61.14 S ATOM 8 CE MET A 1 28.524 16.656 24.050 1.00 43.11 C ATOM 0 H1 MET A 1 27.850 16.284 30.442 1.00 0.00 H new ATOM 0 H2 MET A 1 29.352 15.526 30.672 1.00 0.00 H new ATOM 0 H3 MET A 1 29.249 17.221 30.662 1.00 0.00 H new ATOM 0 HA MET A 1 28.711 15.419 28.373 1.00 52.33 H new ATOM 0 HB2 MET A 1 27.280 17.396 28.303 1.00 42.11 H new ATOM 0 HB3 MET A 1 28.646 18.448 28.616 1.00 42.11 H new ATOM 0 HG2 MET A 1 28.016 18.474 26.239 1.00 61.44 H new ATOM 0 HG3 MET A 1 29.648 17.875 26.462 1.00 61.44 H new ATOM 0 HE1 MET A 1 28.311 15.836 23.364 1.00 43.11 H new ATOM 0 HE2 MET A 1 27.902 17.514 23.795 1.00 43.11 H new ATOM 0 HE3 MET A 1 29.575 16.933 23.968 1.00 43.11 H new ATOM 20 N ALA A 2 31.202 15.293 28.230 1.00 63.45 N ATOM 21 CA ALA A 2 32.622 15.237 27.931 1.00 35.20 C ATOM 22 C ALA A 2 32.914 14.119 26.944 1.00 13.02 C ATOM 23 O ALA A 2 33.023 12.953 27.324 1.00 12.31 O ATOM 24 CB ALA A 2 33.427 15.043 29.209 1.00 52.32 C ATOM 0 H ALA A 2 30.734 14.387 28.221 1.00 63.45 H new ATOM 0 HA ALA A 2 32.917 16.183 27.477 1.00 35.20 H new ATOM 0 HB1 ALA A 2 34.489 15.003 28.967 1.00 52.32 H new ATOM 0 HB2 ALA A 2 33.240 15.876 29.887 1.00 52.32 H new ATOM 0 HB3 ALA A 2 33.129 14.111 29.689 1.00 52.32 H new ATOM 30 N MET A 3 33.006 14.476 25.673 1.00 33.05 N ATOM 31 CA MET A 3 33.300 13.513 24.623 1.00 52.40 C ATOM 32 C MET A 3 33.936 14.222 23.434 1.00 54.45 C ATOM 33 O MET A 3 33.300 15.029 22.755 1.00 0.01 O ATOM 34 CB MET A 3 32.034 12.744 24.211 1.00 14.42 C ATOM 35 CG MET A 3 30.887 13.622 23.730 1.00 43.14 C ATOM 36 SD MET A 3 29.388 12.677 23.388 1.00 12.13 S ATOM 37 CE MET A 3 29.993 11.498 22.183 1.00 72.21 C ATOM 0 H MET A 3 32.880 15.432 25.342 1.00 33.05 H new ATOM 0 HA MET A 3 34.011 12.780 25.005 1.00 52.40 H new ATOM 0 HB2 MET A 3 32.293 12.042 23.419 1.00 14.42 H new ATOM 0 HB3 MET A 3 31.691 12.154 25.061 1.00 14.42 H new ATOM 0 HG2 MET A 3 30.671 14.378 24.485 1.00 43.14 H new ATOM 0 HG3 MET A 3 31.193 14.151 22.827 1.00 43.14 H new ATOM 0 HE1 MET A 3 29.245 11.359 21.403 1.00 72.21 H new ATOM 0 HE2 MET A 3 30.915 11.872 21.739 1.00 72.21 H new ATOM 0 HE3 MET A 3 30.188 10.544 22.673 1.00 72.21 H new ATOM 47 N LYS A 4 35.207 13.944 23.216 1.00 15.42 N ATOM 48 CA LYS A 4 35.969 14.601 22.167 1.00 61.23 C ATOM 49 C LYS A 4 35.781 13.889 20.833 1.00 53.22 C ATOM 50 O LYS A 4 35.819 14.509 19.769 1.00 61.12 O ATOM 51 CB LYS A 4 37.453 14.635 22.553 1.00 4.33 C ATOM 52 CG LYS A 4 38.330 15.416 21.588 1.00 62.51 C ATOM 53 CD LYS A 4 37.897 16.868 21.497 1.00 13.04 C ATOM 54 CE LYS A 4 38.804 17.667 20.577 1.00 31.31 C ATOM 55 NZ LYS A 4 38.377 19.085 20.487 1.00 63.12 N ATOM 0 H LYS A 4 35.739 13.262 23.756 1.00 15.42 H new ATOM 0 HA LYS A 4 35.605 15.622 22.056 1.00 61.23 H new ATOM 0 HB2 LYS A 4 37.548 15.071 23.547 1.00 4.33 H new ATOM 0 HB3 LYS A 4 37.824 13.612 22.617 1.00 4.33 H new ATOM 0 HG2 LYS A 4 39.369 15.364 21.915 1.00 62.51 H new ATOM 0 HG3 LYS A 4 38.283 14.958 20.600 1.00 62.51 H new ATOM 0 HD2 LYS A 4 36.871 16.920 21.132 1.00 13.04 H new ATOM 0 HD3 LYS A 4 37.904 17.313 22.492 1.00 13.04 H new ATOM 0 HE2 LYS A 4 39.829 17.618 20.943 1.00 31.31 H new ATOM 0 HE3 LYS A 4 38.799 17.221 19.582 1.00 31.31 H new ATOM 0 HZ1 LYS A 4 39.018 19.601 19.851 1.00 63.12 H new ATOM 0 HZ2 LYS A 4 37.407 19.133 20.114 1.00 63.12 H new ATOM 0 HZ3 LYS A 4 38.406 19.517 21.433 1.00 63.12 H new ATOM 69 N ASP A 5 35.557 12.588 20.897 1.00 33.21 N ATOM 70 CA ASP A 5 35.455 11.769 19.701 1.00 72.23 C ATOM 71 C ASP A 5 34.117 11.041 19.656 1.00 40.13 C ATOM 72 O ASP A 5 33.814 10.226 20.529 1.00 3.44 O ATOM 73 CB ASP A 5 36.608 10.763 19.664 1.00 41.14 C ATOM 74 CG ASP A 5 36.577 9.862 18.445 1.00 13.04 C ATOM 75 OD1 ASP A 5 37.171 10.232 17.411 1.00 31.50 O ATOM 76 OD2 ASP A 5 36.000 8.757 18.530 1.00 32.41 O ATOM 0 H ASP A 5 35.442 12.073 21.770 1.00 33.21 H new ATOM 0 HA ASP A 5 35.517 12.418 18.827 1.00 72.23 H new ATOM 0 HB2 ASP A 5 37.554 11.304 19.684 1.00 41.14 H new ATOM 0 HB3 ASP A 5 36.574 10.148 20.563 1.00 41.14 H new ATOM 81 N VAL A 6 33.316 11.360 18.648 1.00 24.43 N ATOM 82 CA VAL A 6 32.026 10.710 18.458 1.00 10.25 C ATOM 83 C VAL A 6 32.162 9.503 17.532 1.00 21.43 C ATOM 84 O VAL A 6 32.777 9.587 16.462 1.00 53.40 O ATOM 85 CB VAL A 6 30.956 11.684 17.901 1.00 0.52 C ATOM 86 CG1 VAL A 6 30.702 12.819 18.883 1.00 55.40 C ATOM 87 CG2 VAL A 6 31.359 12.242 16.541 1.00 52.04 C ATOM 0 H VAL A 6 33.538 12.067 17.947 1.00 24.43 H new ATOM 0 HA VAL A 6 31.692 10.376 19.440 1.00 10.25 H new ATOM 0 HB VAL A 6 30.034 11.118 17.770 1.00 0.52 H new ATOM 0 HG11 VAL A 6 29.948 13.492 18.474 1.00 55.40 H new ATOM 0 HG12 VAL A 6 30.348 12.409 19.829 1.00 55.40 H new ATOM 0 HG13 VAL A 6 31.628 13.370 19.050 1.00 55.40 H new ATOM 0 HG21 VAL A 6 30.585 12.920 16.182 1.00 52.04 H new ATOM 0 HG22 VAL A 6 32.301 12.783 16.634 1.00 52.04 H new ATOM 0 HG23 VAL A 6 31.480 11.422 15.833 1.00 52.04 H new ATOM 97 N VAL A 7 31.602 8.378 17.954 1.00 32.31 N ATOM 98 CA VAL A 7 31.716 7.140 17.198 1.00 55.35 C ATOM 99 C VAL A 7 30.433 6.857 16.430 1.00 63.41 C ATOM 100 O VAL A 7 29.351 6.776 17.017 1.00 2.41 O ATOM 101 CB VAL A 7 32.030 5.939 18.118 1.00 72.52 C ATOM 102 CG1 VAL A 7 32.197 4.664 17.304 1.00 4.12 C ATOM 103 CG2 VAL A 7 33.276 6.211 18.945 1.00 50.13 C ATOM 0 H VAL A 7 31.064 8.298 18.817 1.00 32.31 H new ATOM 0 HA VAL A 7 32.541 7.269 16.497 1.00 55.35 H new ATOM 0 HB VAL A 7 31.189 5.802 18.797 1.00 72.52 H new ATOM 0 HG11 VAL A 7 32.417 3.832 17.973 1.00 4.12 H new ATOM 0 HG12 VAL A 7 31.276 4.457 16.759 1.00 4.12 H new ATOM 0 HG13 VAL A 7 33.017 4.789 16.597 1.00 4.12 H new ATOM 0 HG21 VAL A 7 33.481 5.354 19.587 1.00 50.13 H new ATOM 0 HG22 VAL A 7 34.124 6.378 18.281 1.00 50.13 H new ATOM 0 HG23 VAL A 7 33.118 7.096 19.561 1.00 50.13 H new ATOM 113 N ASP A 8 30.566 6.723 15.119 1.00 2.52 N ATOM 114 CA ASP A 8 29.443 6.390 14.247 1.00 63.32 C ATOM 115 C ASP A 8 29.967 5.814 12.954 1.00 20.43 C ATOM 116 O ASP A 8 30.706 6.470 12.219 1.00 34.21 O ATOM 117 CB ASP A 8 28.577 7.623 13.962 1.00 14.03 C ATOM 118 CG ASP A 8 27.389 7.310 13.069 1.00 75.23 C ATOM 119 OD1 ASP A 8 27.552 7.302 11.831 1.00 12.33 O ATOM 120 OD2 ASP A 8 26.286 7.077 13.604 1.00 24.11 O ATOM 0 H ASP A 8 31.452 6.841 14.628 1.00 2.52 H new ATOM 0 HA ASP A 8 28.818 5.653 14.752 1.00 63.32 H new ATOM 0 HB2 ASP A 8 28.219 8.036 14.905 1.00 14.03 H new ATOM 0 HB3 ASP A 8 29.189 8.391 13.489 1.00 14.03 H new ATOM 125 N LYS A 9 29.596 4.580 12.688 1.00 5.34 N ATOM 126 CA LYS A 9 30.097 3.877 11.530 1.00 12.40 C ATOM 127 C LYS A 9 29.117 3.996 10.377 1.00 15.00 C ATOM 128 O LYS A 9 28.017 3.442 10.420 1.00 4.42 O ATOM 129 CB LYS A 9 30.335 2.411 11.871 1.00 20.53 C ATOM 130 CG LYS A 9 31.223 2.196 13.089 1.00 61.23 C ATOM 131 CD LYS A 9 31.573 0.730 13.260 1.00 33.31 C ATOM 132 CE LYS A 9 32.539 0.268 12.183 1.00 13.25 C ATOM 133 NZ LYS A 9 32.650 -1.208 12.136 1.00 65.52 N ATOM 0 H LYS A 9 28.946 4.042 13.262 1.00 5.34 H new ATOM 0 HA LYS A 9 31.043 4.326 11.229 1.00 12.40 H new ATOM 0 HB2 LYS A 9 29.373 1.928 12.045 1.00 20.53 H new ATOM 0 HB3 LYS A 9 30.789 1.917 11.011 1.00 20.53 H new ATOM 0 HG2 LYS A 9 32.137 2.781 12.984 1.00 61.23 H new ATOM 0 HG3 LYS A 9 30.714 2.558 13.982 1.00 61.23 H new ATOM 0 HD2 LYS A 9 32.017 0.571 14.243 1.00 33.31 H new ATOM 0 HD3 LYS A 9 30.664 0.129 13.220 1.00 33.31 H new ATOM 0 HE2 LYS A 9 32.205 0.638 11.213 1.00 13.25 H new ATOM 0 HE3 LYS A 9 33.522 0.700 12.368 1.00 13.25 H new ATOM 0 HZ1 LYS A 9 33.319 -1.482 11.388 1.00 65.52 H new ATOM 0 HZ2 LYS A 9 32.993 -1.560 13.053 1.00 65.52 H new ATOM 0 HZ3 LYS A 9 31.717 -1.620 11.934 1.00 65.52 H new ATOM 147 N CYS A 10 29.519 4.722 9.351 1.00 33.12 N ATOM 148 CA CYS A 10 28.661 4.966 8.209 1.00 44.41 C ATOM 149 C CYS A 10 29.180 4.255 6.963 1.00 33.25 C ATOM 150 O CYS A 10 29.989 4.796 6.209 1.00 21.24 O ATOM 151 CB CYS A 10 28.532 6.470 7.960 1.00 44.43 C ATOM 152 SG CYS A 10 30.104 7.365 7.976 1.00 34.35 S ATOM 0 H CYS A 10 30.440 5.155 9.286 1.00 33.12 H new ATOM 0 HA CYS A 10 27.674 4.560 8.432 1.00 44.41 H new ATOM 0 HB2 CYS A 10 28.048 6.627 6.996 1.00 44.43 H new ATOM 0 HB3 CYS A 10 27.876 6.897 8.719 1.00 44.43 H new ATOM 0 HG CYS A 10 29.887 8.627 7.754 1.00 34.35 H new ATOM 158 N SER A 11 28.746 3.021 6.774 1.00 61.41 N ATOM 159 CA SER A 11 29.021 2.306 5.542 1.00 64.35 C ATOM 160 C SER A 11 28.012 2.762 4.493 1.00 25.50 C ATOM 161 O SER A 11 26.830 2.933 4.805 1.00 10.23 O ATOM 162 CB SER A 11 28.934 0.792 5.775 1.00 31.24 C ATOM 163 OG SER A 11 29.450 0.065 4.673 1.00 51.01 O ATOM 0 H SER A 11 28.202 2.495 7.458 1.00 61.41 H new ATOM 0 HA SER A 11 30.031 2.523 5.193 1.00 64.35 H new ATOM 0 HB2 SER A 11 29.488 0.529 6.676 1.00 31.24 H new ATOM 0 HB3 SER A 11 27.895 0.508 5.945 1.00 31.24 H new ATOM 0 HG SER A 11 29.382 -0.896 4.854 1.00 51.01 H new ATOM 169 N THR A 12 28.461 2.982 3.268 1.00 54.34 N ATOM 170 CA THR A 12 27.605 3.578 2.258 1.00 71.32 C ATOM 171 C THR A 12 26.611 2.565 1.686 1.00 40.44 C ATOM 172 O THR A 12 26.874 1.905 0.680 1.00 20.02 O ATOM 173 CB THR A 12 28.435 4.207 1.123 1.00 62.24 C ATOM 174 OG1 THR A 12 29.432 5.080 1.681 1.00 34.11 O ATOM 175 CG2 THR A 12 27.551 4.995 0.163 1.00 22.30 C ATOM 0 H THR A 12 29.405 2.759 2.952 1.00 54.34 H new ATOM 0 HA THR A 12 27.036 4.367 2.751 1.00 71.32 H new ATOM 0 HB THR A 12 28.914 3.402 0.566 1.00 62.24 H new ATOM 0 HG1 THR A 12 29.960 5.478 0.958 1.00 34.11 H new ATOM 0 HG21 THR A 12 28.166 5.427 -0.627 1.00 22.30 H new ATOM 0 HG22 THR A 12 26.809 4.329 -0.278 1.00 22.30 H new ATOM 0 HG23 THR A 12 27.045 5.793 0.706 1.00 22.30 H new ATOM 183 N LYS A 13 25.485 2.424 2.369 1.00 52.25 N ATOM 184 CA LYS A 13 24.380 1.625 1.874 1.00 41.12 C ATOM 185 C LYS A 13 23.081 2.045 2.551 1.00 2.44 C ATOM 186 O LYS A 13 22.790 1.656 3.684 1.00 32.31 O ATOM 187 CB LYS A 13 24.631 0.119 2.061 1.00 71.15 C ATOM 188 CG LYS A 13 24.920 -0.310 3.491 1.00 34.22 C ATOM 189 CD LYS A 13 24.935 -1.824 3.619 1.00 33.45 C ATOM 190 CE LYS A 13 23.593 -2.428 3.226 1.00 50.03 C ATOM 191 NZ LYS A 13 23.625 -3.914 3.249 1.00 12.01 N ATOM 0 H LYS A 13 25.314 2.858 3.276 1.00 52.25 H new ATOM 0 HA LYS A 13 24.294 1.805 0.802 1.00 41.12 H new ATOM 0 HB2 LYS A 13 23.758 -0.427 1.703 1.00 71.15 H new ATOM 0 HB3 LYS A 13 25.471 -0.175 1.432 1.00 71.15 H new ATOM 0 HG2 LYS A 13 25.882 0.094 3.807 1.00 34.22 H new ATOM 0 HG3 LYS A 13 24.165 0.106 4.158 1.00 34.22 H new ATOM 0 HD2 LYS A 13 25.721 -2.236 2.986 1.00 33.45 H new ATOM 0 HD3 LYS A 13 25.174 -2.102 4.646 1.00 33.45 H new ATOM 0 HE2 LYS A 13 22.821 -2.071 3.908 1.00 50.03 H new ATOM 0 HE3 LYS A 13 23.320 -2.086 2.228 1.00 50.03 H new ATOM 0 HZ1 LYS A 13 22.693 -4.286 2.976 1.00 12.01 H new ATOM 0 HZ2 LYS A 13 24.344 -4.256 2.580 1.00 12.01 H new ATOM 0 HZ3 LYS A 13 23.861 -4.241 4.208 1.00 12.01 H new ATOM 205 N GLY A 14 22.331 2.890 1.870 1.00 72.43 N ATOM 206 CA GLY A 14 21.038 3.302 2.364 1.00 61.23 C ATOM 207 C GLY A 14 19.923 2.706 1.538 1.00 30.13 C ATOM 208 O GLY A 14 19.060 3.424 1.027 1.00 64.31 O ATOM 0 H GLY A 14 22.597 3.302 0.976 1.00 72.43 H new ATOM 0 HA2 GLY A 14 20.928 2.995 3.404 1.00 61.23 H new ATOM 0 HA3 GLY A 14 20.968 4.390 2.344 1.00 61.23 H new ATOM 212 N CYS A 15 19.946 1.388 1.396 1.00 54.22 N ATOM 213 CA CYS A 15 18.961 0.692 0.585 1.00 53.33 C ATOM 214 C CYS A 15 17.699 0.422 1.394 1.00 74.43 C ATOM 215 O CYS A 15 17.505 -0.671 1.932 1.00 53.03 O ATOM 216 CB CYS A 15 19.546 -0.612 0.040 1.00 12.41 C ATOM 217 SG CYS A 15 21.059 -0.379 -0.925 1.00 24.14 S ATOM 0 H CYS A 15 20.638 0.780 1.833 1.00 54.22 H new ATOM 0 HA CYS A 15 18.694 1.327 -0.260 1.00 53.33 H new ATOM 0 HB2 CYS A 15 19.756 -1.283 0.873 1.00 12.41 H new ATOM 0 HB3 CYS A 15 18.799 -1.103 -0.584 1.00 12.41 H new ATOM 0 HG CYS A 15 21.487 -1.532 -1.346 1.00 24.14 H new ATOM 223 N ALA A 16 16.866 1.443 1.512 1.00 31.20 N ATOM 224 CA ALA A 16 15.620 1.334 2.246 1.00 12.52 C ATOM 225 C ALA A 16 14.527 2.136 1.559 1.00 50.21 C ATOM 226 O ALA A 16 14.518 3.367 1.609 1.00 73.34 O ATOM 227 CB ALA A 16 15.810 1.809 3.679 1.00 25.35 C ATOM 0 H ALA A 16 17.034 2.363 1.105 1.00 31.20 H new ATOM 0 HA ALA A 16 15.317 0.287 2.265 1.00 12.52 H new ATOM 0 HB1 ALA A 16 14.867 1.722 4.219 1.00 25.35 H new ATOM 0 HB2 ALA A 16 16.567 1.196 4.168 1.00 25.35 H new ATOM 0 HB3 ALA A 16 16.133 2.850 3.677 1.00 25.35 H new ATOM 233 N ILE A 17 13.627 1.440 0.886 1.00 44.31 N ATOM 234 CA ILE A 17 12.490 2.090 0.258 1.00 50.32 C ATOM 235 C ILE A 17 11.401 2.335 1.296 1.00 53.54 C ATOM 236 O ILE A 17 10.850 1.399 1.877 1.00 42.52 O ATOM 237 CB ILE A 17 11.939 1.272 -0.939 1.00 11.44 C ATOM 238 CG1 ILE A 17 10.670 1.916 -1.510 1.00 42.45 C ATOM 239 CG2 ILE A 17 11.675 -0.174 -0.545 1.00 71.44 C ATOM 240 CD1 ILE A 17 10.902 3.289 -2.103 1.00 31.23 C ATOM 0 H ILE A 17 13.661 0.428 0.761 1.00 44.31 H new ATOM 0 HA ILE A 17 12.827 3.046 -0.143 1.00 50.32 H new ATOM 0 HB ILE A 17 12.702 1.275 -1.717 1.00 11.44 H new ATOM 0 HG12 ILE A 17 10.255 1.263 -2.278 1.00 42.45 H new ATOM 0 HG13 ILE A 17 9.924 1.992 -0.719 1.00 42.45 H new ATOM 0 HG21 ILE A 17 11.290 -0.721 -1.405 1.00 71.44 H new ATOM 0 HG22 ILE A 17 12.604 -0.635 -0.208 1.00 71.44 H new ATOM 0 HG23 ILE A 17 10.942 -0.203 0.261 1.00 71.44 H new ATOM 0 HD11 ILE A 17 9.961 3.683 -2.487 1.00 31.23 H new ATOM 0 HD12 ILE A 17 11.288 3.957 -1.333 1.00 31.23 H new ATOM 0 HD13 ILE A 17 11.624 3.217 -2.916 1.00 31.23 H new ATOM 252 N ASP A 18 11.123 3.604 1.546 1.00 4.51 N ATOM 253 CA ASP A 18 10.170 3.986 2.573 1.00 23.43 C ATOM 254 C ASP A 18 9.683 5.411 2.362 1.00 32.10 C ATOM 255 O ASP A 18 10.470 6.314 2.079 1.00 25.11 O ATOM 256 CB ASP A 18 10.813 3.847 3.952 1.00 5.35 C ATOM 257 CG ASP A 18 9.933 4.365 5.068 1.00 74.50 C ATOM 258 OD1 ASP A 18 8.708 4.122 5.036 1.00 41.22 O ATOM 259 OD2 ASP A 18 10.465 5.025 5.985 1.00 44.11 O ATOM 0 H ASP A 18 11.546 4.389 1.050 1.00 4.51 H new ATOM 0 HA ASP A 18 9.308 3.322 2.509 1.00 23.43 H new ATOM 0 HB2 ASP A 18 11.043 2.798 4.135 1.00 5.35 H new ATOM 0 HB3 ASP A 18 11.759 4.388 3.962 1.00 5.35 H new ATOM 264 N ILE A 19 8.378 5.594 2.497 1.00 55.25 N ATOM 265 CA ILE A 19 7.757 6.899 2.338 1.00 52.54 C ATOM 266 C ILE A 19 7.493 7.520 3.710 1.00 71.01 C ATOM 267 O ILE A 19 7.190 8.705 3.830 1.00 44.44 O ATOM 268 CB ILE A 19 6.432 6.784 1.541 1.00 12.43 C ATOM 269 CG1 ILE A 19 6.679 6.081 0.202 1.00 54.43 C ATOM 270 CG2 ILE A 19 5.806 8.156 1.308 1.00 3.11 C ATOM 271 CD1 ILE A 19 7.646 6.815 -0.704 1.00 43.23 C ATOM 0 H ILE A 19 7.722 4.845 2.719 1.00 55.25 H new ATOM 0 HA ILE A 19 8.438 7.541 1.779 1.00 52.54 H new ATOM 0 HB ILE A 19 5.734 6.191 2.132 1.00 12.43 H new ATOM 0 HG12 ILE A 19 7.064 5.079 0.394 1.00 54.43 H new ATOM 0 HG13 ILE A 19 5.728 5.963 -0.317 1.00 54.43 H new ATOM 0 HG21 ILE A 19 4.879 8.042 0.747 1.00 3.11 H new ATOM 0 HG22 ILE A 19 5.594 8.627 2.268 1.00 3.11 H new ATOM 0 HG23 ILE A 19 6.498 8.780 0.743 1.00 3.11 H new ATOM 0 HD11 ILE A 19 7.770 6.257 -1.632 1.00 43.23 H new ATOM 0 HD12 ILE A 19 7.254 7.807 -0.927 1.00 43.23 H new ATOM 0 HD13 ILE A 19 8.611 6.910 -0.206 1.00 43.23 H new ATOM 283 N GLY A 20 7.637 6.712 4.752 1.00 4.14 N ATOM 284 CA GLY A 20 7.384 7.192 6.096 1.00 62.42 C ATOM 285 C GLY A 20 6.085 6.662 6.659 1.00 34.34 C ATOM 286 O GLY A 20 5.624 7.108 7.708 1.00 72.22 O ATOM 0 H GLY A 20 7.924 5.735 4.691 1.00 4.14 H new ATOM 0 HA2 GLY A 20 8.207 6.896 6.746 1.00 62.42 H new ATOM 0 HA3 GLY A 20 7.358 8.282 6.091 1.00 62.42 H new ATOM 290 N THR A 21 5.487 5.713 5.956 1.00 61.11 N ATOM 291 CA THR A 21 4.272 5.076 6.424 1.00 23.12 C ATOM 292 C THR A 21 4.625 3.996 7.434 1.00 0.02 C ATOM 293 O THR A 21 5.050 2.899 7.067 1.00 44.21 O ATOM 294 CB THR A 21 3.488 4.454 5.260 1.00 4.40 C ATOM 295 OG1 THR A 21 3.442 5.378 4.161 1.00 14.04 O ATOM 296 CG2 THR A 21 2.071 4.101 5.686 1.00 0.52 C ATOM 0 H THR A 21 5.826 5.368 5.058 1.00 61.11 H new ATOM 0 HA THR A 21 3.644 5.834 6.892 1.00 23.12 H new ATOM 0 HB THR A 21 3.995 3.539 4.954 1.00 4.40 H new ATOM 0 HG1 THR A 21 2.943 4.978 3.418 1.00 14.04 H new ATOM 0 HG21 THR A 21 1.536 3.662 4.844 1.00 0.52 H new ATOM 0 HG22 THR A 21 2.106 3.385 6.507 1.00 0.52 H new ATOM 0 HG23 THR A 21 1.554 5.003 6.013 1.00 0.52 H new ATOM 304 N VAL A 22 4.474 4.320 8.702 1.00 4.04 N ATOM 305 CA VAL A 22 4.886 3.421 9.763 1.00 3.01 C ATOM 306 C VAL A 22 3.684 2.768 10.436 1.00 50.51 C ATOM 307 O VAL A 22 2.754 3.438 10.886 1.00 33.43 O ATOM 308 CB VAL A 22 5.766 4.142 10.816 1.00 11.13 C ATOM 309 CG1 VAL A 22 5.049 5.349 11.407 1.00 63.15 C ATOM 310 CG2 VAL A 22 6.194 3.178 11.917 1.00 2.33 C ATOM 0 H VAL A 22 4.069 5.199 9.024 1.00 4.04 H new ATOM 0 HA VAL A 22 5.487 2.639 9.299 1.00 3.01 H new ATOM 0 HB VAL A 22 6.660 4.502 10.307 1.00 11.13 H new ATOM 0 HG11 VAL A 22 5.694 5.831 12.142 1.00 63.15 H new ATOM 0 HG12 VAL A 22 4.812 6.056 10.612 1.00 63.15 H new ATOM 0 HG13 VAL A 22 4.128 5.024 11.891 1.00 63.15 H new ATOM 0 HG21 VAL A 22 6.810 3.707 12.644 1.00 2.33 H new ATOM 0 HG22 VAL A 22 5.310 2.777 12.414 1.00 2.33 H new ATOM 0 HG23 VAL A 22 6.768 2.360 11.482 1.00 2.33 H new ATOM 320 N ILE A 23 3.704 1.447 10.464 1.00 23.00 N ATOM 321 CA ILE A 23 2.704 0.670 11.170 1.00 54.14 C ATOM 322 C ILE A 23 3.407 -0.402 11.995 1.00 34.24 C ATOM 323 O ILE A 23 4.269 -1.120 11.487 1.00 72.24 O ATOM 324 CB ILE A 23 1.679 0.036 10.195 1.00 20.04 C ATOM 325 CG1 ILE A 23 0.692 -0.864 10.943 1.00 51.42 C ATOM 326 CG2 ILE A 23 2.385 -0.745 9.096 1.00 72.10 C ATOM 327 CD1 ILE A 23 -0.382 -1.459 10.054 1.00 63.13 C ATOM 0 H ILE A 23 4.415 0.884 9.997 1.00 23.00 H new ATOM 0 HA ILE A 23 2.142 1.331 11.830 1.00 54.14 H new ATOM 0 HB ILE A 23 1.116 0.847 9.732 1.00 20.04 H new ATOM 0 HG12 ILE A 23 1.243 -1.673 11.423 1.00 51.42 H new ATOM 0 HG13 ILE A 23 0.217 -0.287 11.736 1.00 51.42 H new ATOM 0 HG21 ILE A 23 1.644 -1.180 8.425 1.00 72.10 H new ATOM 0 HG22 ILE A 23 3.035 -0.075 8.533 1.00 72.10 H new ATOM 0 HG23 ILE A 23 2.983 -1.540 9.541 1.00 72.10 H new ATOM 0 HD11 ILE A 23 -1.044 -2.085 10.652 1.00 63.13 H new ATOM 0 HD12 ILE A 23 -0.959 -0.657 9.593 1.00 63.13 H new ATOM 0 HD13 ILE A 23 0.084 -2.064 9.276 1.00 63.13 H new ATOM 339 N ASP A 24 3.061 -0.483 13.275 1.00 40.24 N ATOM 340 CA ASP A 24 3.753 -1.375 14.197 1.00 61.15 C ATOM 341 C ASP A 24 3.485 -2.830 13.845 1.00 11.42 C ATOM 342 O ASP A 24 4.324 -3.501 13.246 1.00 71.22 O ATOM 343 CB ASP A 24 3.322 -1.106 15.639 1.00 34.41 C ATOM 344 CG ASP A 24 4.202 -1.813 16.649 1.00 42.44 C ATOM 345 OD1 ASP A 24 4.050 -3.037 16.836 1.00 14.15 O ATOM 346 OD2 ASP A 24 5.048 -1.140 17.269 1.00 42.32 O ATOM 0 H ASP A 24 2.306 0.058 13.697 1.00 40.24 H new ATOM 0 HA ASP A 24 4.822 -1.182 14.106 1.00 61.15 H new ATOM 0 HB2 ASP A 24 3.347 -0.033 15.828 1.00 34.41 H new ATOM 0 HB3 ASP A 24 2.290 -1.429 15.772 1.00 34.41 H new ATOM 351 N ASN A 25 2.316 -3.312 14.228 1.00 45.55 N ATOM 352 CA ASN A 25 1.908 -4.668 13.913 1.00 13.40 C ATOM 353 C ASN A 25 0.401 -4.775 14.059 1.00 52.32 C ATOM 354 O ASN A 25 -0.188 -4.233 14.996 1.00 71.12 O ATOM 355 CB ASN A 25 2.617 -5.689 14.811 1.00 10.13 C ATOM 356 CG ASN A 25 1.929 -5.877 16.142 1.00 34.22 C ATOM 357 OD1 ASN A 25 1.117 -6.785 16.310 1.00 11.55 O ATOM 358 ND2 ASN A 25 2.225 -5.014 17.091 1.00 2.41 N ATOM 0 H ASN A 25 1.629 -2.779 14.761 1.00 45.55 H new ATOM 0 HA ASN A 25 2.193 -4.895 12.886 1.00 13.40 H new ATOM 0 HB2 ASN A 25 2.666 -6.648 14.294 1.00 10.13 H new ATOM 0 HB3 ASN A 25 3.644 -5.365 14.981 1.00 10.13 H new ATOM 0 HD21 ASN A 25 1.775 -5.085 18.004 1.00 2.41 H new ATOM 0 HD22 ASN A 25 2.904 -4.274 16.914 1.00 2.41 H new ATOM 365 N ASP A 26 -0.203 -5.479 13.130 1.00 34.40 N ATOM 366 CA ASP A 26 -1.653 -5.554 13.003 1.00 21.10 C ATOM 367 C ASP A 26 -2.009 -6.798 12.208 1.00 35.43 C ATOM 368 O ASP A 26 -1.312 -7.812 12.288 1.00 52.43 O ATOM 369 CB ASP A 26 -2.209 -4.313 12.276 1.00 61.01 C ATOM 370 CG ASP A 26 -2.246 -3.064 13.136 1.00 44.04 C ATOM 371 OD1 ASP A 26 -3.254 -2.852 13.843 1.00 12.42 O ATOM 372 OD2 ASP A 26 -1.276 -2.279 13.104 1.00 44.25 O ATOM 0 H ASP A 26 0.298 -6.025 12.429 1.00 34.40 H new ATOM 0 HA ASP A 26 -2.092 -5.595 14.000 1.00 21.10 H new ATOM 0 HB2 ASP A 26 -1.600 -4.117 11.394 1.00 61.01 H new ATOM 0 HB3 ASP A 26 -3.218 -4.531 11.925 1.00 61.01 H new ATOM 377 N ASN A 27 -3.088 -6.720 11.448 1.00 63.23 N ATOM 378 CA ASN A 27 -3.439 -7.767 10.506 1.00 63.11 C ATOM 379 C ASN A 27 -2.707 -7.534 9.189 1.00 13.41 C ATOM 380 O ASN A 27 -2.021 -6.523 9.025 1.00 24.44 O ATOM 381 CB ASN A 27 -4.963 -7.825 10.286 1.00 1.23 C ATOM 382 CG ASN A 27 -5.612 -6.476 9.986 1.00 11.44 C ATOM 383 OD1 ASN A 27 -4.883 -5.566 9.358 1.00 52.15 O flip ATOM 384 ND2 ASN A 27 -6.775 -6.254 10.323 1.00 63.20 N flip ATOM 0 H ASN A 27 -3.740 -5.936 11.466 1.00 63.23 H new ATOM 0 HA ASN A 27 -3.132 -8.729 10.917 1.00 63.11 H new ATOM 0 HB2 ASN A 27 -5.172 -8.506 9.461 1.00 1.23 H new ATOM 0 HB3 ASN A 27 -5.430 -8.249 11.175 1.00 1.23 H new ATOM 0 HD21 ASN A 27 -7.312 -6.974 10.806 1.00 63.20 H new ATOM 0 HD22 ASN A 27 -7.201 -5.350 10.120 1.00 63.20 H new ATOM 391 N CYS A 28 -2.873 -8.446 8.256 1.00 11.41 N ATOM 392 CA CYS A 28 -2.195 -8.356 6.970 1.00 63.41 C ATOM 393 C CYS A 28 -3.168 -7.923 5.885 1.00 35.11 C ATOM 394 O CYS A 28 -2.874 -8.020 4.693 1.00 71.42 O ATOM 395 CB CYS A 28 -1.567 -9.700 6.605 1.00 43.23 C ATOM 396 SG CYS A 28 -0.387 -10.315 7.823 1.00 4.23 S ATOM 0 H CYS A 28 -3.473 -9.264 8.360 1.00 11.41 H new ATOM 0 HA CYS A 28 -1.405 -7.609 7.049 1.00 63.41 H new ATOM 0 HB2 CYS A 28 -2.360 -10.437 6.478 1.00 43.23 H new ATOM 0 HB3 CYS A 28 -1.064 -9.605 5.643 1.00 43.23 H new ATOM 0 HG CYS A 28 -0.071 -11.544 7.539 1.00 4.23 H new ATOM 402 N THR A 29 -4.331 -7.450 6.310 1.00 3.23 N ATOM 403 CA THR A 29 -5.335 -6.954 5.390 1.00 2.20 C ATOM 404 C THR A 29 -5.392 -5.430 5.433 1.00 33.13 C ATOM 405 O THR A 29 -5.656 -4.839 6.482 1.00 20.00 O ATOM 406 CB THR A 29 -6.725 -7.528 5.722 1.00 44.22 C ATOM 407 OG1 THR A 29 -6.658 -8.959 5.777 1.00 33.10 O ATOM 408 CG2 THR A 29 -7.754 -7.105 4.681 1.00 52.13 C ATOM 0 H THR A 29 -4.600 -7.401 7.293 1.00 3.23 H new ATOM 0 HA THR A 29 -5.053 -7.278 4.388 1.00 2.20 H new ATOM 0 HB THR A 29 -7.034 -7.136 6.691 1.00 44.22 H new ATOM 0 HG1 THR A 29 -7.544 -9.320 5.990 1.00 33.10 H new ATOM 0 HG21 THR A 29 -8.727 -7.524 4.940 1.00 52.13 H new ATOM 0 HG22 THR A 29 -7.822 -6.017 4.658 1.00 52.13 H new ATOM 0 HG23 THR A 29 -7.451 -7.471 3.700 1.00 52.13 H new ATOM 416 N SER A 30 -5.146 -4.800 4.298 1.00 65.55 N ATOM 417 CA SER A 30 -5.170 -3.350 4.219 1.00 54.50 C ATOM 418 C SER A 30 -6.508 -2.871 3.676 1.00 4.30 C ATOM 419 O SER A 30 -6.957 -3.317 2.619 1.00 14.14 O ATOM 420 CB SER A 30 -4.035 -2.843 3.326 1.00 62.02 C ATOM 421 OG SER A 30 -4.023 -1.427 3.279 1.00 52.21 O ATOM 0 H SER A 30 -4.927 -5.269 3.419 1.00 65.55 H new ATOM 0 HA SER A 30 -5.032 -2.950 5.224 1.00 54.50 H new ATOM 0 HB2 SER A 30 -3.079 -3.206 3.704 1.00 62.02 H new ATOM 0 HB3 SER A 30 -4.153 -3.243 2.319 1.00 62.02 H new ATOM 0 HG SER A 30 -3.121 -1.115 3.057 1.00 52.21 H new ATOM 427 N LYS A 31 -7.154 -1.990 4.429 1.00 62.31 N ATOM 428 CA LYS A 31 -8.388 -1.356 3.990 1.00 61.15 C ATOM 429 C LYS A 31 -8.088 0.043 3.479 1.00 44.05 C ATOM 430 O LYS A 31 -7.714 0.928 4.252 1.00 43.44 O ATOM 431 CB LYS A 31 -9.401 -1.254 5.136 1.00 11.23 C ATOM 432 CG LYS A 31 -10.257 -2.492 5.368 1.00 21.02 C ATOM 433 CD LYS A 31 -9.439 -3.720 5.716 1.00 62.12 C ATOM 434 CE LYS A 31 -10.291 -4.765 6.422 1.00 2.11 C ATOM 435 NZ LYS A 31 -11.500 -5.132 5.635 1.00 3.02 N ATOM 0 H LYS A 31 -6.840 -1.697 5.354 1.00 62.31 H new ATOM 0 HA LYS A 31 -8.816 -1.970 3.197 1.00 61.15 H new ATOM 0 HB2 LYS A 31 -8.861 -1.030 6.056 1.00 11.23 H new ATOM 0 HB3 LYS A 31 -10.061 -0.409 4.940 1.00 11.23 H new ATOM 0 HG2 LYS A 31 -10.964 -2.293 6.173 1.00 21.02 H new ATOM 0 HG3 LYS A 31 -10.844 -2.695 4.472 1.00 21.02 H new ATOM 0 HD2 LYS A 31 -9.014 -4.147 4.808 1.00 62.12 H new ATOM 0 HD3 LYS A 31 -8.604 -3.435 6.356 1.00 62.12 H new ATOM 0 HE2 LYS A 31 -9.692 -5.658 6.602 1.00 2.11 H new ATOM 0 HE3 LYS A 31 -10.596 -4.384 7.397 1.00 2.11 H new ATOM 0 HZ1 LYS A 31 -11.976 -5.939 6.086 1.00 3.02 H new ATOM 0 HZ2 LYS A 31 -12.151 -4.321 5.600 1.00 3.02 H new ATOM 0 HZ3 LYS A 31 -11.219 -5.392 4.668 1.00 3.02 H new ATOM 449 N PHE A 32 -8.251 0.233 2.191 1.00 23.04 N ATOM 450 CA PHE A 32 -8.006 1.524 1.574 1.00 13.12 C ATOM 451 C PHE A 32 -9.272 2.030 0.899 1.00 61.14 C ATOM 452 O PHE A 32 -9.787 1.404 -0.027 1.00 44.14 O ATOM 453 CB PHE A 32 -6.862 1.417 0.561 1.00 55.22 C ATOM 454 CG PHE A 32 -6.512 2.716 -0.107 1.00 43.02 C ATOM 455 CD1 PHE A 32 -5.855 3.716 0.592 1.00 23.23 C ATOM 456 CD2 PHE A 32 -6.838 2.936 -1.436 1.00 43.11 C ATOM 457 CE1 PHE A 32 -5.531 4.912 -0.021 1.00 73.51 C ATOM 458 CE2 PHE A 32 -6.516 4.129 -2.054 1.00 74.31 C ATOM 459 CZ PHE A 32 -5.861 5.119 -1.346 1.00 13.24 C ATOM 0 H PHE A 32 -8.554 -0.493 1.542 1.00 23.04 H new ATOM 0 HA PHE A 32 -7.717 2.236 2.347 1.00 13.12 H new ATOM 0 HB2 PHE A 32 -5.977 1.031 1.067 1.00 55.22 H new ATOM 0 HB3 PHE A 32 -7.135 0.689 -0.203 1.00 55.22 H new ATOM 0 HD1 PHE A 32 -5.593 3.559 1.628 1.00 23.23 H new ATOM 0 HD2 PHE A 32 -7.349 2.166 -1.995 1.00 43.11 H new ATOM 0 HE1 PHE A 32 -5.020 5.684 0.536 1.00 73.51 H new ATOM 0 HE2 PHE A 32 -6.776 4.288 -3.090 1.00 74.31 H new ATOM 0 HZ PHE A 32 -5.608 6.052 -1.828 1.00 13.24 H new ATOM 469 N SER A 33 -9.771 3.160 1.368 1.00 74.15 N ATOM 470 CA SER A 33 -10.986 3.743 0.826 1.00 3.43 C ATOM 471 C SER A 33 -10.671 5.082 0.169 1.00 72.01 C ATOM 472 O SER A 33 -10.281 6.033 0.846 1.00 43.14 O ATOM 473 CB SER A 33 -12.020 3.937 1.942 1.00 42.10 C ATOM 474 OG SER A 33 -12.066 2.808 2.807 1.00 41.32 O ATOM 0 H SER A 33 -9.351 3.695 2.128 1.00 74.15 H new ATOM 0 HA SER A 33 -11.399 3.068 0.077 1.00 3.43 H new ATOM 0 HB2 SER A 33 -11.773 4.829 2.518 1.00 42.10 H new ATOM 0 HB3 SER A 33 -13.004 4.102 1.504 1.00 42.10 H new ATOM 0 HG SER A 33 -12.702 2.151 2.454 1.00 41.32 H new ATOM 480 N ARG A 34 -10.821 5.153 -1.143 1.00 65.43 N ATOM 481 CA ARG A 34 -10.536 6.379 -1.875 1.00 61.53 C ATOM 482 C ARG A 34 -11.770 6.802 -2.651 1.00 54.12 C ATOM 483 O ARG A 34 -12.432 5.982 -3.285 1.00 22.44 O ATOM 484 CB ARG A 34 -9.347 6.172 -2.818 1.00 23.21 C ATOM 485 CG ARG A 34 -8.503 7.417 -3.076 1.00 45.45 C ATOM 486 CD ARG A 34 -9.191 8.416 -3.996 1.00 64.41 C ATOM 487 NE ARG A 34 -8.332 9.563 -4.295 1.00 44.43 N ATOM 488 CZ ARG A 34 -8.526 10.408 -5.304 1.00 23.45 C ATOM 489 NH1 ARG A 34 -9.579 10.276 -6.101 1.00 1.32 N ATOM 490 NH2 ARG A 34 -7.673 11.403 -5.496 1.00 73.04 N ATOM 0 H ARG A 34 -11.138 4.377 -1.724 1.00 65.43 H new ATOM 0 HA ARG A 34 -10.274 7.168 -1.170 1.00 61.53 H new ATOM 0 HB2 ARG A 34 -8.704 5.396 -2.403 1.00 23.21 H new ATOM 0 HB3 ARG A 34 -9.720 5.800 -3.772 1.00 23.21 H new ATOM 0 HG2 ARG A 34 -8.277 7.901 -2.126 1.00 45.45 H new ATOM 0 HG3 ARG A 34 -7.551 7.120 -3.516 1.00 45.45 H new ATOM 0 HD2 ARG A 34 -9.472 7.920 -4.925 1.00 64.41 H new ATOM 0 HD3 ARG A 34 -10.113 8.764 -3.530 1.00 64.41 H new ATOM 0 HE ARG A 34 -7.529 9.726 -3.688 1.00 44.43 H new ATOM 0 HH11 ARG A 34 -10.247 9.522 -5.942 1.00 1.32 H new ATOM 0 HH12 ARG A 34 -9.720 10.929 -6.872 1.00 1.32 H new ATOM 0 HH21 ARG A 34 -6.874 11.517 -4.872 1.00 73.04 H new ATOM 0 HH22 ARG A 34 -7.815 12.055 -6.268 1.00 73.04 H new ATOM 504 N PHE A 35 -12.080 8.077 -2.582 1.00 11.05 N ATOM 505 CA PHE A 35 -13.257 8.611 -3.247 1.00 55.35 C ATOM 506 C PHE A 35 -12.898 9.115 -4.633 1.00 25.23 C ATOM 507 O PHE A 35 -11.958 9.885 -4.798 1.00 32.33 O ATOM 508 CB PHE A 35 -13.877 9.740 -2.422 1.00 63.20 C ATOM 509 CG PHE A 35 -14.232 9.331 -1.023 1.00 44.33 C ATOM 510 CD1 PHE A 35 -15.362 8.571 -0.778 1.00 53.44 C ATOM 511 CD2 PHE A 35 -13.432 9.705 0.045 1.00 52.14 C ATOM 512 CE1 PHE A 35 -15.689 8.191 0.508 1.00 10.31 C ATOM 513 CE2 PHE A 35 -13.755 9.328 1.331 1.00 71.30 C ATOM 514 CZ PHE A 35 -14.885 8.570 1.564 1.00 12.35 C ATOM 0 H PHE A 35 -11.533 8.770 -2.071 1.00 11.05 H new ATOM 0 HA PHE A 35 -13.989 7.809 -3.343 1.00 55.35 H new ATOM 0 HB2 PHE A 35 -13.179 10.576 -2.382 1.00 63.20 H new ATOM 0 HB3 PHE A 35 -14.774 10.098 -2.927 1.00 63.20 H new ATOM 0 HD1 PHE A 35 -15.994 8.272 -1.601 1.00 53.44 H new ATOM 0 HD2 PHE A 35 -12.547 10.298 -0.132 1.00 52.14 H new ATOM 0 HE1 PHE A 35 -16.573 7.598 0.688 1.00 10.31 H new ATOM 0 HE2 PHE A 35 -13.124 9.625 2.156 1.00 71.30 H new ATOM 0 HZ PHE A 35 -15.140 8.274 2.571 1.00 12.35 H new ATOM 524 N PHE A 36 -13.645 8.673 -5.626 1.00 25.52 N ATOM 525 CA PHE A 36 -13.392 9.063 -7.006 1.00 52.11 C ATOM 526 C PHE A 36 -14.612 9.748 -7.592 1.00 33.10 C ATOM 527 O PHE A 36 -15.683 9.730 -6.992 1.00 31.23 O ATOM 528 CB PHE A 36 -13.017 7.848 -7.860 1.00 74.02 C ATOM 529 CG PHE A 36 -11.654 7.300 -7.567 1.00 0.32 C ATOM 530 CD1 PHE A 36 -10.544 7.806 -8.220 1.00 73.15 C ATOM 531 CD2 PHE A 36 -11.482 6.283 -6.644 1.00 23.35 C ATOM 532 CE1 PHE A 36 -9.286 7.307 -7.958 1.00 53.02 C ATOM 533 CE2 PHE A 36 -10.225 5.780 -6.378 1.00 24.44 C ATOM 534 CZ PHE A 36 -9.125 6.294 -7.035 1.00 34.23 C ATOM 0 H PHE A 36 -14.436 8.041 -5.505 1.00 25.52 H new ATOM 0 HA PHE A 36 -12.554 9.760 -7.010 1.00 52.11 H new ATOM 0 HB2 PHE A 36 -13.756 7.062 -7.702 1.00 74.02 H new ATOM 0 HB3 PHE A 36 -13.068 8.126 -8.913 1.00 74.02 H new ATOM 0 HD1 PHE A 36 -10.664 8.600 -8.942 1.00 73.15 H new ATOM 0 HD2 PHE A 36 -12.340 5.879 -6.127 1.00 23.35 H new ATOM 0 HE1 PHE A 36 -8.427 7.709 -8.475 1.00 53.02 H new ATOM 0 HE2 PHE A 36 -10.102 4.985 -5.657 1.00 24.44 H new ATOM 0 HZ PHE A 36 -8.140 5.904 -6.827 1.00 34.23 H new ATOM 544 N ALA A 37 -14.444 10.351 -8.760 1.00 74.34 N ATOM 545 CA ALA A 37 -15.540 11.036 -9.429 1.00 45.43 C ATOM 546 C ALA A 37 -16.579 10.044 -9.938 1.00 15.33 C ATOM 547 O ALA A 37 -17.749 10.109 -9.563 1.00 35.11 O ATOM 548 CB ALA A 37 -15.009 11.888 -10.573 1.00 2.24 C ATOM 0 H ALA A 37 -13.558 10.380 -9.264 1.00 74.34 H new ATOM 0 HA ALA A 37 -16.027 11.687 -8.703 1.00 45.43 H new ATOM 0 HB1 ALA A 37 -15.839 12.395 -11.065 1.00 2.24 H new ATOM 0 HB2 ALA A 37 -14.312 12.629 -10.182 1.00 2.24 H new ATOM 0 HB3 ALA A 37 -14.495 11.251 -11.293 1.00 2.24 H new ATOM 554 N THR A 38 -16.146 9.119 -10.778 1.00 32.40 N ATOM 555 CA THR A 38 -17.056 8.150 -11.364 1.00 55.02 C ATOM 556 C THR A 38 -16.651 6.727 -11.015 1.00 62.13 C ATOM 557 O THR A 38 -15.524 6.480 -10.578 1.00 43.05 O ATOM 558 CB THR A 38 -17.108 8.285 -12.895 1.00 12.55 C ATOM 559 OG1 THR A 38 -15.781 8.206 -13.437 1.00 33.31 O ATOM 560 CG2 THR A 38 -17.762 9.595 -13.310 1.00 45.02 C ATOM 0 H THR A 38 -15.173 9.019 -11.069 1.00 32.40 H new ATOM 0 HA THR A 38 -18.042 8.358 -10.948 1.00 55.02 H new ATOM 0 HB THR A 38 -17.710 7.466 -13.289 1.00 12.55 H new ATOM 0 HG1 THR A 38 -15.820 8.291 -14.413 1.00 33.31 H new ATOM 0 HG21 THR A 38 -17.784 9.662 -14.398 1.00 45.02 H new ATOM 0 HG22 THR A 38 -18.780 9.632 -12.923 1.00 45.02 H new ATOM 0 HG23 THR A 38 -17.190 10.431 -12.907 1.00 45.02 H new ATOM 568 N ARG A 39 -17.567 5.792 -11.233 1.00 60.41 N ATOM 569 CA ARG A 39 -17.296 4.380 -11.005 1.00 50.00 C ATOM 570 C ARG A 39 -16.247 3.893 -11.999 1.00 2.02 C ATOM 571 O ARG A 39 -15.553 2.901 -11.767 1.00 21.43 O ATOM 572 CB ARG A 39 -18.582 3.560 -11.139 1.00 11.13 C ATOM 573 CG ARG A 39 -19.140 3.524 -12.554 1.00 5.31 C ATOM 574 CD ARG A 39 -20.471 2.800 -12.623 1.00 21.15 C ATOM 575 NE ARG A 39 -21.521 3.500 -11.882 1.00 40.05 N ATOM 576 CZ ARG A 39 -22.701 3.829 -12.402 1.00 61.32 C ATOM 577 NH1 ARG A 39 -22.940 3.635 -13.695 1.00 75.42 N ATOM 578 NH2 ARG A 39 -23.621 4.392 -11.638 1.00 54.00 N ATOM 0 H ARG A 39 -18.510 5.989 -11.570 1.00 60.41 H new ATOM 0 HA ARG A 39 -16.914 4.250 -9.993 1.00 50.00 H new ATOM 0 HB2 ARG A 39 -18.388 2.540 -10.808 1.00 11.13 H new ATOM 0 HB3 ARG A 39 -19.337 3.973 -10.471 1.00 11.13 H new ATOM 0 HG2 ARG A 39 -19.262 4.543 -12.921 1.00 5.31 H new ATOM 0 HG3 ARG A 39 -18.425 3.031 -13.213 1.00 5.31 H new ATOM 0 HD2 ARG A 39 -20.772 2.696 -13.665 1.00 21.15 H new ATOM 0 HD3 ARG A 39 -20.356 1.793 -12.222 1.00 21.15 H new ATOM 0 HE ARG A 39 -21.338 3.750 -10.910 1.00 40.05 H new ATOM 0 HH11 ARG A 39 -22.218 3.233 -14.292 1.00 75.42 H new ATOM 0 HH12 ARG A 39 -23.846 3.888 -14.090 1.00 75.42 H new ATOM 0 HH21 ARG A 39 -23.425 4.573 -10.653 1.00 54.00 H new ATOM 0 HH22 ARG A 39 -24.527 4.646 -12.033 1.00 54.00 H new ATOM 592 N GLU A 40 -16.129 4.622 -13.102 1.00 0.22 N ATOM 593 CA GLU A 40 -15.129 4.344 -14.117 1.00 71.33 C ATOM 594 C GLU A 40 -13.741 4.623 -13.565 1.00 64.20 C ATOM 595 O GLU A 40 -12.820 3.826 -13.726 1.00 44.41 O ATOM 596 CB GLU A 40 -15.384 5.216 -15.341 1.00 70.41 C ATOM 597 CG GLU A 40 -16.793 5.080 -15.891 1.00 34.32 C ATOM 598 CD GLU A 40 -17.043 5.964 -17.093 1.00 53.13 C ATOM 599 OE1 GLU A 40 -17.316 7.169 -16.908 1.00 13.15 O ATOM 600 OE2 GLU A 40 -16.986 5.455 -18.228 1.00 11.11 O ATOM 0 H GLU A 40 -16.725 5.422 -13.315 1.00 0.22 H new ATOM 0 HA GLU A 40 -15.192 3.295 -14.404 1.00 71.33 H new ATOM 0 HB2 GLU A 40 -15.202 6.259 -15.080 1.00 70.41 H new ATOM 0 HB3 GLU A 40 -14.670 4.953 -16.121 1.00 70.41 H new ATOM 0 HG2 GLU A 40 -16.971 4.041 -16.167 1.00 34.32 H new ATOM 0 HG3 GLU A 40 -17.509 5.329 -15.108 1.00 34.32 H new ATOM 607 N GLU A 41 -13.614 5.764 -12.901 1.00 43.30 N ATOM 608 CA GLU A 41 -12.376 6.142 -12.231 1.00 12.10 C ATOM 609 C GLU A 41 -11.992 5.099 -11.182 1.00 62.11 C ATOM 610 O GLU A 41 -10.814 4.897 -10.885 1.00 71.11 O ATOM 611 CB GLU A 41 -12.539 7.517 -11.578 1.00 33.14 C ATOM 612 CG GLU A 41 -12.574 8.665 -12.569 1.00 24.12 C ATOM 613 CD GLU A 41 -11.209 8.963 -13.165 1.00 25.24 C ATOM 614 OE1 GLU A 41 -10.743 8.196 -14.034 1.00 60.33 O ATOM 615 OE2 GLU A 41 -10.585 9.964 -12.751 1.00 63.10 O ATOM 0 H GLU A 41 -14.362 6.451 -12.811 1.00 43.30 H new ATOM 0 HA GLU A 41 -11.578 6.191 -12.971 1.00 12.10 H new ATOM 0 HB2 GLU A 41 -13.460 7.525 -10.994 1.00 33.14 H new ATOM 0 HB3 GLU A 41 -11.717 7.677 -10.880 1.00 33.14 H new ATOM 0 HG2 GLU A 41 -13.273 8.427 -13.371 1.00 24.12 H new ATOM 0 HG3 GLU A 41 -12.952 9.558 -12.072 1.00 24.12 H new ATOM 622 N ALA A 42 -12.999 4.425 -10.641 1.00 32.24 N ATOM 623 CA ALA A 42 -12.782 3.415 -9.612 1.00 11.01 C ATOM 624 C ALA A 42 -12.192 2.143 -10.216 1.00 1.41 C ATOM 625 O ALA A 42 -11.171 1.635 -9.750 1.00 71.03 O ATOM 626 CB ALA A 42 -14.083 3.113 -8.881 1.00 52.53 C ATOM 0 H ALA A 42 -13.977 4.560 -10.898 1.00 32.24 H new ATOM 0 HA ALA A 42 -12.066 3.808 -8.891 1.00 11.01 H new ATOM 0 HB1 ALA A 42 -13.904 2.357 -8.116 1.00 52.53 H new ATOM 0 HB2 ALA A 42 -14.456 4.023 -8.411 1.00 52.53 H new ATOM 0 HB3 ALA A 42 -14.822 2.742 -9.591 1.00 52.53 H new ATOM 632 N GLU A 43 -12.836 1.642 -11.264 1.00 53.33 N ATOM 633 CA GLU A 43 -12.354 0.456 -11.968 1.00 63.40 C ATOM 634 C GLU A 43 -10.986 0.703 -12.588 1.00 22.52 C ATOM 635 O GLU A 43 -10.132 -0.184 -12.603 1.00 4.14 O ATOM 636 CB GLU A 43 -13.353 0.036 -13.046 1.00 50.42 C ATOM 637 CG GLU A 43 -14.508 -0.790 -12.510 1.00 70.21 C ATOM 638 CD GLU A 43 -14.108 -2.225 -12.231 1.00 4.21 C ATOM 639 OE1 GLU A 43 -13.304 -2.465 -11.305 1.00 14.20 O ATOM 640 OE2 GLU A 43 -14.601 -3.123 -12.945 1.00 60.42 O ATOM 0 H GLU A 43 -13.695 2.038 -11.647 1.00 53.33 H new ATOM 0 HA GLU A 43 -12.256 -0.350 -11.241 1.00 63.40 H new ATOM 0 HB2 GLU A 43 -13.749 0.928 -13.531 1.00 50.42 H new ATOM 0 HB3 GLU A 43 -12.830 -0.538 -13.811 1.00 50.42 H new ATOM 0 HG2 GLU A 43 -14.883 -0.335 -11.593 1.00 70.21 H new ATOM 0 HG3 GLU A 43 -15.326 -0.777 -13.230 1.00 70.21 H new ATOM 647 N SER A 44 -10.777 1.912 -13.079 1.00 51.41 N ATOM 648 CA SER A 44 -9.505 2.278 -13.674 1.00 60.12 C ATOM 649 C SER A 44 -8.392 2.275 -12.631 1.00 70.41 C ATOM 650 O SER A 44 -7.228 2.033 -12.954 1.00 61.40 O ATOM 651 CB SER A 44 -9.613 3.647 -14.339 1.00 75.11 C ATOM 652 OG SER A 44 -10.651 3.649 -15.305 1.00 73.11 O ATOM 0 H SER A 44 -11.473 2.657 -13.077 1.00 51.41 H new ATOM 0 HA SER A 44 -9.254 1.537 -14.433 1.00 60.12 H new ATOM 0 HB2 SER A 44 -9.808 4.410 -13.585 1.00 75.11 H new ATOM 0 HB3 SER A 44 -8.666 3.903 -14.814 1.00 75.11 H new ATOM 0 HG SER A 44 -11.490 3.931 -14.883 1.00 73.11 H new ATOM 658 N PHE A 45 -8.752 2.535 -11.378 1.00 1.04 N ATOM 659 CA PHE A 45 -7.785 2.537 -10.297 1.00 50.04 C ATOM 660 C PHE A 45 -7.491 1.108 -9.857 1.00 11.41 C ATOM 661 O PHE A 45 -6.335 0.723 -9.689 1.00 12.30 O ATOM 662 CB PHE A 45 -8.324 3.363 -9.122 1.00 62.23 C ATOM 663 CG PHE A 45 -7.356 3.531 -7.981 1.00 52.14 C ATOM 664 CD1 PHE A 45 -6.262 4.374 -8.101 1.00 12.42 C ATOM 665 CD2 PHE A 45 -7.549 2.859 -6.785 1.00 51.03 C ATOM 666 CE1 PHE A 45 -5.378 4.542 -7.050 1.00 2.42 C ATOM 667 CE2 PHE A 45 -6.668 3.020 -5.731 1.00 52.32 C ATOM 668 CZ PHE A 45 -5.582 3.863 -5.865 1.00 43.42 C ATOM 0 H PHE A 45 -9.708 2.747 -11.091 1.00 1.04 H new ATOM 0 HA PHE A 45 -6.856 2.988 -10.645 1.00 50.04 H new ATOM 0 HB2 PHE A 45 -8.609 4.349 -9.488 1.00 62.23 H new ATOM 0 HB3 PHE A 45 -9.230 2.888 -8.746 1.00 62.23 H new ATOM 0 HD1 PHE A 45 -6.098 4.906 -9.026 1.00 12.42 H new ATOM 0 HD2 PHE A 45 -8.398 2.201 -6.674 1.00 51.03 H new ATOM 0 HE1 PHE A 45 -4.530 5.203 -7.156 1.00 2.42 H new ATOM 0 HE2 PHE A 45 -6.829 2.488 -4.805 1.00 52.32 H new ATOM 0 HZ PHE A 45 -4.893 3.991 -5.043 1.00 43.42 H new ATOM 678 N MET A 46 -8.544 0.317 -9.716 1.00 60.34 N ATOM 679 CA MET A 46 -8.427 -1.047 -9.215 1.00 50.42 C ATOM 680 C MET A 46 -7.716 -1.961 -10.213 1.00 32.13 C ATOM 681 O MET A 46 -6.915 -2.805 -9.819 1.00 31.11 O ATOM 682 CB MET A 46 -9.810 -1.606 -8.876 1.00 13.13 C ATOM 683 CG MET A 46 -9.778 -3.024 -8.325 1.00 35.15 C ATOM 684 SD MET A 46 -8.644 -3.215 -6.929 1.00 61.23 S ATOM 685 CE MET A 46 -9.250 -1.958 -5.808 1.00 25.14 C ATOM 0 H MET A 46 -9.498 0.598 -9.943 1.00 60.34 H new ATOM 0 HA MET A 46 -7.821 -1.015 -8.310 1.00 50.42 H new ATOM 0 HB2 MET A 46 -10.287 -0.953 -8.146 1.00 13.13 H new ATOM 0 HB3 MET A 46 -10.429 -1.588 -9.773 1.00 13.13 H new ATOM 0 HG2 MET A 46 -10.782 -3.309 -8.012 1.00 35.15 H new ATOM 0 HG3 MET A 46 -9.486 -3.710 -9.120 1.00 35.15 H new ATOM 0 HE1 MET A 46 -9.276 -2.357 -4.794 1.00 25.14 H new ATOM 0 HE2 MET A 46 -8.589 -1.092 -5.840 1.00 25.14 H new ATOM 0 HE3 MET A 46 -10.255 -1.658 -6.106 1.00 25.14 H new ATOM 695 N THR A 47 -7.996 -1.792 -11.498 1.00 25.23 N ATOM 696 CA THR A 47 -7.392 -2.640 -12.519 1.00 44.43 C ATOM 697 C THR A 47 -5.864 -2.528 -12.510 1.00 11.43 C ATOM 698 O THR A 47 -5.161 -3.538 -12.570 1.00 73.31 O ATOM 699 CB THR A 47 -7.939 -2.301 -13.921 1.00 60.23 C ATOM 700 OG1 THR A 47 -9.369 -2.398 -13.913 1.00 0.14 O ATOM 701 CG2 THR A 47 -7.382 -3.244 -14.974 1.00 35.31 C ATOM 0 H THR A 47 -8.633 -1.081 -11.858 1.00 25.23 H new ATOM 0 HA THR A 47 -7.661 -3.669 -12.280 1.00 44.43 H new ATOM 0 HB THR A 47 -7.630 -1.286 -14.169 1.00 60.23 H new ATOM 0 HG1 THR A 47 -9.743 -1.676 -13.366 1.00 0.14 H new ATOM 0 HG21 THR A 47 -7.787 -2.979 -15.951 1.00 35.31 H new ATOM 0 HG22 THR A 47 -6.295 -3.162 -14.997 1.00 35.31 H new ATOM 0 HG23 THR A 47 -7.664 -4.268 -14.731 1.00 35.31 H new ATOM 709 N LYS A 48 -5.350 -1.303 -12.419 1.00 33.45 N ATOM 710 CA LYS A 48 -3.906 -1.097 -12.347 1.00 35.23 C ATOM 711 C LYS A 48 -3.381 -1.485 -10.965 1.00 21.13 C ATOM 712 O LYS A 48 -2.219 -1.855 -10.814 1.00 45.13 O ATOM 713 CB LYS A 48 -3.526 0.344 -12.727 1.00 55.03 C ATOM 714 CG LYS A 48 -4.030 1.424 -11.783 1.00 55.45 C ATOM 715 CD LYS A 48 -2.984 1.800 -10.744 1.00 12.04 C ATOM 716 CE LYS A 48 -3.330 3.109 -10.053 1.00 0.42 C ATOM 717 NZ LYS A 48 -3.311 4.261 -10.997 1.00 20.32 N ATOM 0 H LYS A 48 -5.905 -0.447 -12.394 1.00 33.45 H new ATOM 0 HA LYS A 48 -3.427 -1.749 -13.078 1.00 35.23 H new ATOM 0 HB2 LYS A 48 -2.440 0.412 -12.782 1.00 55.03 H new ATOM 0 HB3 LYS A 48 -3.910 0.551 -13.726 1.00 55.03 H new ATOM 0 HG2 LYS A 48 -4.306 2.308 -12.357 1.00 55.45 H new ATOM 0 HG3 LYS A 48 -4.932 1.075 -11.281 1.00 55.45 H new ATOM 0 HD2 LYS A 48 -2.905 1.006 -10.002 1.00 12.04 H new ATOM 0 HD3 LYS A 48 -2.009 1.887 -11.223 1.00 12.04 H new ATOM 0 HE2 LYS A 48 -4.318 3.029 -9.599 1.00 0.42 H new ATOM 0 HE3 LYS A 48 -2.621 3.291 -9.245 1.00 0.42 H new ATOM 0 HZ1 LYS A 48 -3.213 5.147 -10.461 1.00 20.32 H new ATOM 0 HZ2 LYS A 48 -2.508 4.161 -11.651 1.00 20.32 H new ATOM 0 HZ3 LYS A 48 -4.198 4.280 -11.539 1.00 20.32 H new ATOM 731 N LEU A 49 -4.245 -1.393 -9.956 1.00 33.41 N ATOM 732 CA LEU A 49 -3.907 -1.833 -8.604 1.00 22.31 C ATOM 733 C LEU A 49 -3.600 -3.330 -8.583 1.00 64.20 C ATOM 734 O LEU A 49 -2.804 -3.797 -7.769 1.00 1.41 O ATOM 735 CB LEU A 49 -5.052 -1.515 -7.636 1.00 41.14 C ATOM 736 CG LEU A 49 -4.768 -0.407 -6.619 1.00 43.22 C ATOM 737 CD1 LEU A 49 -3.744 -0.870 -5.604 1.00 21.13 C ATOM 738 CD2 LEU A 49 -4.280 0.854 -7.315 1.00 13.22 C ATOM 0 H LEU A 49 -5.188 -1.016 -10.050 1.00 33.41 H new ATOM 0 HA LEU A 49 -3.016 -1.293 -8.283 1.00 22.31 H new ATOM 0 HB2 LEU A 49 -5.929 -1.233 -8.219 1.00 41.14 H new ATOM 0 HB3 LEU A 49 -5.309 -2.425 -7.093 1.00 41.14 H new ATOM 0 HG LEU A 49 -5.699 -0.177 -6.101 1.00 43.22 H new ATOM 0 HD11 LEU A 49 -3.554 -0.070 -4.888 1.00 21.13 H new ATOM 0 HD12 LEU A 49 -4.124 -1.745 -5.077 1.00 21.13 H new ATOM 0 HD13 LEU A 49 -2.816 -1.128 -6.115 1.00 21.13 H new ATOM 0 HD21 LEU A 49 -4.085 1.627 -6.572 1.00 13.22 H new ATOM 0 HD22 LEU A 49 -3.363 0.636 -7.862 1.00 13.22 H new ATOM 0 HD23 LEU A 49 -5.043 1.204 -8.011 1.00 13.22 H new ATOM 750 N LYS A 50 -4.230 -4.074 -9.492 1.00 63.42 N ATOM 751 CA LYS A 50 -3.955 -5.500 -9.647 1.00 63.51 C ATOM 752 C LYS A 50 -2.494 -5.729 -10.012 1.00 62.03 C ATOM 753 O LYS A 50 -1.887 -6.714 -9.596 1.00 71.34 O ATOM 754 CB LYS A 50 -4.865 -6.116 -10.717 1.00 43.20 C ATOM 755 CG LYS A 50 -6.087 -6.833 -10.159 1.00 2.54 C ATOM 756 CD LYS A 50 -7.010 -5.893 -9.404 1.00 60.23 C ATOM 757 CE LYS A 50 -8.241 -6.619 -8.877 1.00 33.42 C ATOM 758 NZ LYS A 50 -8.994 -7.295 -9.969 1.00 25.35 N ATOM 0 H LYS A 50 -4.935 -3.711 -10.133 1.00 63.42 H new ATOM 0 HA LYS A 50 -4.159 -5.987 -8.693 1.00 63.51 H new ATOM 0 HB2 LYS A 50 -5.197 -5.328 -11.393 1.00 43.20 H new ATOM 0 HB3 LYS A 50 -4.283 -6.821 -11.311 1.00 43.20 H new ATOM 0 HG2 LYS A 50 -6.637 -7.300 -10.976 1.00 2.54 H new ATOM 0 HG3 LYS A 50 -5.764 -7.634 -9.494 1.00 2.54 H new ATOM 0 HD2 LYS A 50 -6.469 -5.442 -8.572 1.00 60.23 H new ATOM 0 HD3 LYS A 50 -7.320 -5.081 -10.061 1.00 60.23 H new ATOM 0 HE2 LYS A 50 -7.938 -7.357 -8.134 1.00 33.42 H new ATOM 0 HE3 LYS A 50 -8.894 -5.907 -8.372 1.00 33.42 H new ATOM 0 HZ1 LYS A 50 -9.941 -7.557 -9.627 1.00 25.35 H new ATOM 0 HZ2 LYS A 50 -9.085 -6.650 -10.779 1.00 25.35 H new ATOM 0 HZ3 LYS A 50 -8.483 -8.152 -10.264 1.00 25.35 H new ATOM 772 N GLU A 51 -1.930 -4.811 -10.787 1.00 22.10 N ATOM 773 CA GLU A 51 -0.517 -4.873 -11.137 1.00 52.31 C ATOM 774 C GLU A 51 0.340 -4.683 -9.893 1.00 61.31 C ATOM 775 O GLU A 51 1.321 -5.392 -9.679 1.00 52.31 O ATOM 776 CB GLU A 51 -0.175 -3.806 -12.170 1.00 12.31 C ATOM 777 CG GLU A 51 -0.810 -4.050 -13.523 1.00 34.30 C ATOM 778 CD GLU A 51 -0.150 -5.186 -14.273 1.00 42.23 C ATOM 779 OE1 GLU A 51 0.919 -4.966 -14.879 1.00 43.13 O ATOM 780 OE2 GLU A 51 -0.692 -6.309 -14.256 1.00 34.41 O ATOM 0 H GLU A 51 -2.429 -4.015 -11.185 1.00 22.10 H new ATOM 0 HA GLU A 51 -0.311 -5.854 -11.566 1.00 52.31 H new ATOM 0 HB2 GLU A 51 -0.496 -2.834 -11.797 1.00 12.31 H new ATOM 0 HB3 GLU A 51 0.908 -3.760 -12.288 1.00 12.31 H new ATOM 0 HG2 GLU A 51 -1.869 -4.273 -13.390 1.00 34.30 H new ATOM 0 HG3 GLU A 51 -0.748 -3.140 -14.120 1.00 34.30 H new ATOM 787 N LEU A 52 -0.059 -3.723 -9.070 1.00 4.42 N ATOM 788 CA LEU A 52 0.651 -3.414 -7.838 1.00 52.50 C ATOM 789 C LEU A 52 0.633 -4.602 -6.882 1.00 4.23 C ATOM 790 O LEU A 52 1.674 -5.016 -6.378 1.00 12.25 O ATOM 791 CB LEU A 52 0.023 -2.190 -7.170 1.00 41.52 C ATOM 792 CG LEU A 52 0.080 -0.899 -7.991 1.00 61.53 C ATOM 793 CD1 LEU A 52 -0.588 0.234 -7.232 1.00 53.55 C ATOM 794 CD2 LEU A 52 1.522 -0.537 -8.336 1.00 35.22 C ATOM 0 H LEU A 52 -0.879 -3.140 -9.237 1.00 4.42 H new ATOM 0 HA LEU A 52 1.690 -3.196 -8.086 1.00 52.50 H new ATOM 0 HB2 LEU A 52 -1.020 -2.413 -6.946 1.00 41.52 H new ATOM 0 HB3 LEU A 52 0.524 -2.018 -6.217 1.00 41.52 H new ATOM 0 HG LEU A 52 -0.459 -1.060 -8.925 1.00 61.53 H new ATOM 0 HD11 LEU A 52 -0.541 1.147 -7.826 1.00 53.55 H new ATOM 0 HD12 LEU A 52 -1.630 -0.021 -7.040 1.00 53.55 H new ATOM 0 HD13 LEU A 52 -0.073 0.391 -6.284 1.00 53.55 H new ATOM 0 HD21 LEU A 52 1.536 0.384 -8.919 1.00 35.22 H new ATOM 0 HD22 LEU A 52 2.091 -0.393 -7.417 1.00 35.22 H new ATOM 0 HD23 LEU A 52 1.970 -1.342 -8.918 1.00 35.22 H new ATOM 806 N ALA A 53 -0.553 -5.152 -6.652 1.00 41.34 N ATOM 807 CA ALA A 53 -0.718 -6.271 -5.729 1.00 3.42 C ATOM 808 C ALA A 53 0.056 -7.498 -6.196 1.00 25.34 C ATOM 809 O ALA A 53 0.661 -8.208 -5.386 1.00 60.43 O ATOM 810 CB ALA A 53 -2.195 -6.603 -5.564 1.00 52.44 C ATOM 0 H ALA A 53 -1.418 -4.841 -7.093 1.00 41.34 H new ATOM 0 HA ALA A 53 -0.312 -5.972 -4.763 1.00 3.42 H new ATOM 0 HB1 ALA A 53 -2.305 -7.439 -4.873 1.00 52.44 H new ATOM 0 HB2 ALA A 53 -2.721 -5.734 -5.169 1.00 52.44 H new ATOM 0 HB3 ALA A 53 -2.617 -6.874 -6.532 1.00 52.44 H new ATOM 816 N ALA A 54 0.044 -7.732 -7.504 1.00 2.42 N ATOM 817 CA ALA A 54 0.735 -8.873 -8.089 1.00 11.45 C ATOM 818 C ALA A 54 2.235 -8.806 -7.831 1.00 44.34 C ATOM 819 O ALA A 54 2.863 -9.810 -7.492 1.00 34.42 O ATOM 820 CB ALA A 54 0.459 -8.950 -9.584 1.00 2.43 C ATOM 0 H ALA A 54 -0.440 -7.142 -8.181 1.00 2.42 H new ATOM 0 HA ALA A 54 0.353 -9.775 -7.611 1.00 11.45 H new ATOM 0 HB1 ALA A 54 0.982 -9.808 -10.007 1.00 2.43 H new ATOM 0 HB2 ALA A 54 -0.612 -9.060 -9.751 1.00 2.43 H new ATOM 0 HB3 ALA A 54 0.809 -8.037 -10.066 1.00 2.43 H new ATOM 826 N ALA A 55 2.802 -7.617 -7.975 1.00 62.35 N ATOM 827 CA ALA A 55 4.234 -7.427 -7.800 1.00 54.11 C ATOM 828 C ALA A 55 4.603 -7.318 -6.325 1.00 73.12 C ATOM 829 O ALA A 55 5.724 -7.638 -5.932 1.00 44.01 O ATOM 830 CB ALA A 55 4.688 -6.188 -8.555 1.00 34.41 C ATOM 0 H ALA A 55 2.290 -6.767 -8.213 1.00 62.35 H new ATOM 0 HA ALA A 55 4.746 -8.300 -8.205 1.00 54.11 H new ATOM 0 HB1 ALA A 55 5.761 -6.052 -8.419 1.00 34.41 H new ATOM 0 HB2 ALA A 55 4.469 -6.308 -9.616 1.00 34.41 H new ATOM 0 HB3 ALA A 55 4.160 -5.315 -8.172 1.00 34.41 H new ATOM 836 N ALA A 56 3.659 -6.864 -5.515 1.00 21.03 N ATOM 837 CA ALA A 56 3.895 -6.699 -4.084 1.00 0.12 C ATOM 838 C ALA A 56 3.944 -8.048 -3.372 1.00 72.50 C ATOM 839 O ALA A 56 4.908 -8.353 -2.667 1.00 24.12 O ATOM 840 CB ALA A 56 2.825 -5.812 -3.463 1.00 22.20 C ATOM 0 H ALA A 56 2.722 -6.603 -5.821 1.00 21.03 H new ATOM 0 HA ALA A 56 4.865 -6.216 -3.961 1.00 0.12 H new ATOM 0 HB1 ALA A 56 3.018 -5.701 -2.396 1.00 22.20 H new ATOM 0 HB2 ALA A 56 2.844 -4.832 -3.939 1.00 22.20 H new ATOM 0 HB3 ALA A 56 1.845 -6.267 -3.609 1.00 22.20 H new ATOM 846 N SER A 57 2.909 -8.854 -3.562 1.00 33.41 N ATOM 847 CA SER A 57 2.814 -10.140 -2.886 1.00 14.54 C ATOM 848 C SER A 57 3.500 -11.231 -3.697 1.00 21.13 C ATOM 849 O SER A 57 4.521 -11.778 -3.277 1.00 5.44 O ATOM 850 CB SER A 57 1.346 -10.499 -2.635 1.00 20.22 C ATOM 851 OG SER A 57 1.219 -11.754 -1.984 1.00 71.41 O ATOM 0 H SER A 57 2.124 -8.641 -4.178 1.00 33.41 H new ATOM 0 HA SER A 57 3.324 -10.062 -1.926 1.00 14.54 H new ATOM 0 HB2 SER A 57 0.880 -9.724 -2.026 1.00 20.22 H new ATOM 0 HB3 SER A 57 0.810 -10.525 -3.584 1.00 20.22 H new ATOM 0 HG SER A 57 1.273 -11.626 -1.014 1.00 71.41 H new ATOM 857 N SER A 58 2.928 -11.523 -4.859 1.00 23.52 N ATOM 858 CA SER A 58 3.439 -12.557 -5.763 1.00 31.43 C ATOM 859 C SER A 58 3.271 -13.964 -5.182 1.00 23.03 C ATOM 860 O SER A 58 3.895 -14.912 -5.660 1.00 21.25 O ATOM 861 CB SER A 58 4.908 -12.302 -6.097 1.00 53.01 C ATOM 862 OG SER A 58 5.080 -11.034 -6.710 1.00 34.42 O ATOM 0 H SER A 58 2.094 -11.050 -5.206 1.00 23.52 H new ATOM 0 HA SER A 58 2.848 -12.503 -6.677 1.00 31.43 H new ATOM 0 HB2 SER A 58 5.505 -12.353 -5.187 1.00 53.01 H new ATOM 0 HB3 SER A 58 5.274 -13.084 -6.763 1.00 53.01 H new ATOM 0 HG SER A 58 4.231 -10.743 -7.103 1.00 34.42 H new ATOM 868 N ALA A 59 2.420 -14.095 -4.168 1.00 45.32 N ATOM 869 CA ALA A 59 2.138 -15.397 -3.565 1.00 35.14 C ATOM 870 C ALA A 59 1.559 -16.360 -4.599 1.00 32.11 C ATOM 871 O ALA A 59 2.264 -17.228 -5.113 1.00 34.24 O ATOM 872 CB ALA A 59 1.193 -15.244 -2.382 1.00 51.31 C ATOM 0 H ALA A 59 1.913 -13.317 -3.746 1.00 45.32 H new ATOM 0 HA ALA A 59 3.077 -15.816 -3.202 1.00 35.14 H new ATOM 0 HB1 ALA A 59 0.994 -16.223 -1.946 1.00 51.31 H new ATOM 0 HB2 ALA A 59 1.650 -14.599 -1.632 1.00 51.31 H new ATOM 0 HB3 ALA A 59 0.256 -14.800 -2.720 1.00 51.31 H new ATOM 878 N ASP A 60 0.276 -16.209 -4.897 1.00 2.04 N ATOM 879 CA ASP A 60 -0.345 -16.971 -5.973 1.00 5.15 C ATOM 880 C ASP A 60 -0.450 -16.105 -7.212 1.00 72.14 C ATOM 881 O ASP A 60 0.130 -16.405 -8.255 1.00 34.34 O ATOM 882 CB ASP A 60 -1.728 -17.484 -5.569 1.00 5.30 C ATOM 883 CG ASP A 60 -2.474 -18.098 -6.742 1.00 4.12 C ATOM 884 OD1 ASP A 60 -2.117 -19.215 -7.164 1.00 61.44 O ATOM 885 OD2 ASP A 60 -3.415 -17.456 -7.260 1.00 13.05 O ATOM 0 H ASP A 60 -0.353 -15.569 -4.412 1.00 2.04 H new ATOM 0 HA ASP A 60 0.281 -17.838 -6.184 1.00 5.15 H new ATOM 0 HB2 ASP A 60 -1.622 -18.227 -4.778 1.00 5.30 H new ATOM 0 HB3 ASP A 60 -2.313 -16.662 -5.158 1.00 5.30 H new ATOM 890 N GLU A 61 -1.201 -15.029 -7.081 1.00 10.42 N ATOM 891 CA GLU A 61 -1.297 -14.024 -8.121 1.00 5.24 C ATOM 892 C GLU A 61 -0.953 -12.661 -7.531 1.00 5.44 C ATOM 893 O GLU A 61 -0.587 -11.732 -8.244 1.00 54.21 O ATOM 894 CB GLU A 61 -2.706 -14.027 -8.725 1.00 61.42 C ATOM 895 CG GLU A 61 -2.919 -12.987 -9.810 1.00 3.12 C ATOM 896 CD GLU A 61 -4.275 -13.106 -10.469 1.00 71.53 C ATOM 897 OE1 GLU A 61 -5.272 -13.359 -9.754 1.00 11.11 O ATOM 898 OE2 GLU A 61 -4.352 -12.966 -11.708 1.00 23.33 O ATOM 0 H GLU A 61 -1.761 -14.827 -6.252 1.00 10.42 H new ATOM 0 HA GLU A 61 -0.591 -14.248 -8.921 1.00 5.24 H new ATOM 0 HB2 GLU A 61 -2.910 -15.015 -9.139 1.00 61.42 H new ATOM 0 HB3 GLU A 61 -3.431 -13.859 -7.929 1.00 61.42 H new ATOM 0 HG2 GLU A 61 -2.814 -11.991 -9.380 1.00 3.12 H new ATOM 0 HG3 GLU A 61 -2.141 -13.091 -10.566 1.00 3.12 H new ATOM 905 N GLY A 62 -1.043 -12.562 -6.210 1.00 52.23 N ATOM 906 CA GLY A 62 -0.751 -11.309 -5.545 1.00 63.22 C ATOM 907 C GLY A 62 -1.750 -10.987 -4.456 1.00 64.34 C ATOM 908 O GLY A 62 -2.572 -10.087 -4.612 1.00 62.34 O ATOM 0 H GLY A 62 -1.312 -13.326 -5.590 1.00 52.23 H new ATOM 0 HA2 GLY A 62 0.249 -11.354 -5.115 1.00 63.22 H new ATOM 0 HA3 GLY A 62 -0.746 -10.504 -6.279 1.00 63.22 H new ATOM 912 N ALA A 63 -1.672 -11.737 -3.357 1.00 65.32 N ATOM 913 CA ALA A 63 -2.546 -11.543 -2.200 1.00 60.12 C ATOM 914 C ALA A 63 -4.009 -11.813 -2.548 1.00 0.30 C ATOM 915 O ALA A 63 -4.324 -12.292 -3.639 1.00 15.41 O ATOM 916 CB ALA A 63 -2.380 -10.137 -1.632 1.00 74.05 C ATOM 0 H ALA A 63 -1.001 -12.497 -3.244 1.00 65.32 H new ATOM 0 HA ALA A 63 -2.250 -12.265 -1.439 1.00 60.12 H new ATOM 0 HB1 ALA A 63 -3.038 -10.012 -0.772 1.00 74.05 H new ATOM 0 HB2 ALA A 63 -1.346 -9.990 -1.322 1.00 74.05 H new ATOM 0 HB3 ALA A 63 -2.638 -9.403 -2.396 1.00 74.05 H new ATOM 922 N SER A 64 -4.887 -11.536 -1.600 1.00 5.21 N ATOM 923 CA SER A 64 -6.316 -11.664 -1.815 1.00 4.45 C ATOM 924 C SER A 64 -6.960 -10.284 -1.848 1.00 51.42 C ATOM 925 O SER A 64 -6.825 -9.511 -0.897 1.00 5.10 O ATOM 926 CB SER A 64 -6.939 -12.507 -0.704 1.00 51.23 C ATOM 927 OG SER A 64 -6.415 -13.826 -0.706 1.00 35.30 O ATOM 0 H SER A 64 -4.631 -11.218 -0.665 1.00 5.21 H new ATOM 0 HA SER A 64 -6.489 -12.159 -2.771 1.00 4.45 H new ATOM 0 HB2 SER A 64 -6.749 -12.039 0.262 1.00 51.23 H new ATOM 0 HB3 SER A 64 -8.021 -12.542 -0.834 1.00 51.23 H new ATOM 0 HG SER A 64 -6.829 -14.344 0.016 1.00 35.30 H new ATOM 933 N VAL A 65 -7.639 -9.969 -2.941 1.00 12.51 N ATOM 934 CA VAL A 65 -8.260 -8.664 -3.092 1.00 14.24 C ATOM 935 C VAL A 65 -9.778 -8.740 -2.961 1.00 42.44 C ATOM 936 O VAL A 65 -10.462 -9.409 -3.739 1.00 11.34 O ATOM 937 CB VAL A 65 -7.876 -7.994 -4.436 1.00 34.41 C ATOM 938 CG1 VAL A 65 -8.169 -8.900 -5.624 1.00 12.14 C ATOM 939 CG2 VAL A 65 -8.588 -6.656 -4.597 1.00 13.54 C ATOM 0 H VAL A 65 -7.773 -10.597 -3.733 1.00 12.51 H new ATOM 0 HA VAL A 65 -7.876 -8.046 -2.280 1.00 14.24 H new ATOM 0 HB VAL A 65 -6.801 -7.817 -4.414 1.00 34.41 H new ATOM 0 HG11 VAL A 65 -7.886 -8.393 -6.547 1.00 12.14 H new ATOM 0 HG12 VAL A 65 -7.598 -9.823 -5.527 1.00 12.14 H new ATOM 0 HG13 VAL A 65 -9.234 -9.133 -5.650 1.00 12.14 H new ATOM 0 HG21 VAL A 65 -8.303 -6.204 -5.547 1.00 13.54 H new ATOM 0 HG22 VAL A 65 -9.666 -6.813 -4.579 1.00 13.54 H new ATOM 0 HG23 VAL A 65 -8.304 -5.992 -3.780 1.00 13.54 H new ATOM 949 N ALA A 66 -10.290 -8.069 -1.950 1.00 64.00 N ATOM 950 CA ALA A 66 -11.720 -7.904 -1.786 1.00 60.03 C ATOM 951 C ALA A 66 -12.062 -6.423 -1.831 1.00 3.12 C ATOM 952 O ALA A 66 -11.888 -5.708 -0.848 1.00 24.15 O ATOM 953 CB ALA A 66 -12.186 -8.532 -0.480 1.00 1.50 C ATOM 0 H ALA A 66 -9.730 -7.625 -1.222 1.00 64.00 H new ATOM 0 HA ALA A 66 -12.238 -8.413 -2.599 1.00 60.03 H new ATOM 0 HB1 ALA A 66 -13.263 -8.397 -0.375 1.00 1.50 H new ATOM 0 HB2 ALA A 66 -11.952 -9.597 -0.484 1.00 1.50 H new ATOM 0 HB3 ALA A 66 -11.677 -8.052 0.356 1.00 1.50 H new ATOM 959 N TYR A 67 -12.511 -5.952 -2.982 1.00 14.32 N ATOM 960 CA TYR A 67 -12.773 -4.536 -3.151 1.00 31.31 C ATOM 961 C TYR A 67 -14.224 -4.307 -3.529 1.00 70.24 C ATOM 962 O TYR A 67 -14.897 -5.214 -4.025 1.00 42.12 O ATOM 963 CB TYR A 67 -11.850 -3.934 -4.220 1.00 4.30 C ATOM 964 CG TYR A 67 -12.338 -4.107 -5.648 1.00 71.32 C ATOM 965 CD1 TYR A 67 -12.153 -5.302 -6.335 1.00 72.32 C ATOM 966 CD2 TYR A 67 -12.987 -3.065 -6.307 1.00 75.13 C ATOM 967 CE1 TYR A 67 -12.601 -5.451 -7.635 1.00 15.22 C ATOM 968 CE2 TYR A 67 -13.437 -3.210 -7.603 1.00 5.24 C ATOM 969 CZ TYR A 67 -13.242 -4.401 -8.261 1.00 74.45 C ATOM 970 OH TYR A 67 -13.694 -4.551 -9.553 1.00 0.43 O ATOM 0 H TYR A 67 -12.700 -6.524 -3.805 1.00 14.32 H new ATOM 0 HA TYR A 67 -12.573 -4.039 -2.202 1.00 31.31 H new ATOM 0 HB2 TYR A 67 -11.728 -2.870 -4.018 1.00 4.30 H new ATOM 0 HB3 TYR A 67 -10.864 -4.391 -4.129 1.00 4.30 H new ATOM 0 HD1 TYR A 67 -11.653 -6.125 -5.847 1.00 72.32 H new ATOM 0 HD2 TYR A 67 -13.141 -2.127 -5.794 1.00 75.13 H new ATOM 0 HE1 TYR A 67 -12.450 -6.384 -8.158 1.00 15.22 H new ATOM 0 HE2 TYR A 67 -13.940 -2.392 -8.098 1.00 5.24 H new ATOM 0 HH TYR A 67 -13.566 -3.713 -10.044 1.00 0.43 H new ATOM 980 N LYS A 68 -14.698 -3.097 -3.286 1.00 24.33 N ATOM 981 CA LYS A 68 -16.026 -2.700 -3.710 1.00 20.03 C ATOM 982 C LYS A 68 -16.017 -1.316 -4.324 1.00 33.20 C ATOM 983 O LYS A 68 -15.081 -0.534 -4.134 1.00 23.10 O ATOM 984 CB LYS A 68 -17.029 -2.707 -2.564 1.00 10.01 C ATOM 985 CG LYS A 68 -17.369 -4.085 -2.058 1.00 75.02 C ATOM 986 CD LYS A 68 -18.817 -4.161 -1.604 1.00 43.21 C ATOM 987 CE LYS A 68 -19.761 -4.118 -2.797 1.00 73.40 C ATOM 988 NZ LYS A 68 -21.189 -4.196 -2.395 1.00 74.14 N ATOM 0 H LYS A 68 -14.178 -2.370 -2.794 1.00 24.33 H new ATOM 0 HA LYS A 68 -16.332 -3.438 -4.452 1.00 20.03 H new ATOM 0 HB2 LYS A 68 -16.628 -2.117 -1.740 1.00 10.01 H new ATOM 0 HB3 LYS A 68 -17.945 -2.215 -2.893 1.00 10.01 H new ATOM 0 HG2 LYS A 68 -17.193 -4.818 -2.845 1.00 75.02 H new ATOM 0 HG3 LYS A 68 -16.711 -4.343 -1.228 1.00 75.02 H new ATOM 0 HD2 LYS A 68 -18.978 -5.080 -1.040 1.00 43.21 H new ATOM 0 HD3 LYS A 68 -19.036 -3.332 -0.931 1.00 43.21 H new ATOM 0 HE2 LYS A 68 -19.594 -3.197 -3.356 1.00 73.40 H new ATOM 0 HE3 LYS A 68 -19.530 -4.945 -3.469 1.00 73.40 H new ATOM 0 HZ1 LYS A 68 -21.791 -4.163 -3.243 1.00 74.14 H new ATOM 0 HZ2 LYS A 68 -21.358 -5.087 -1.885 1.00 74.14 H new ATOM 0 HZ3 LYS A 68 -21.420 -3.393 -1.775 1.00 74.14 H new ATOM 1002 N ILE A 69 -17.080 -1.028 -5.039 1.00 73.22 N ATOM 1003 CA ILE A 69 -17.296 0.281 -5.626 1.00 30.44 C ATOM 1004 C ILE A 69 -18.673 0.783 -5.222 1.00 12.32 C ATOM 1005 O ILE A 69 -19.689 0.293 -5.711 1.00 61.51 O ATOM 1006 CB ILE A 69 -17.193 0.249 -7.167 1.00 30.43 C ATOM 1007 CG1 ILE A 69 -15.827 -0.291 -7.597 1.00 55.33 C ATOM 1008 CG2 ILE A 69 -17.432 1.637 -7.748 1.00 33.21 C ATOM 1009 CD1 ILE A 69 -15.658 -0.408 -9.096 1.00 41.25 C ATOM 0 H ILE A 69 -17.825 -1.697 -5.233 1.00 73.22 H new ATOM 0 HA ILE A 69 -16.518 0.949 -5.257 1.00 30.44 H new ATOM 0 HB ILE A 69 -17.964 -0.418 -7.553 1.00 30.43 H new ATOM 0 HG12 ILE A 69 -15.049 0.363 -7.203 1.00 55.33 H new ATOM 0 HG13 ILE A 69 -15.677 -1.272 -7.147 1.00 55.33 H new ATOM 0 HG21 ILE A 69 -17.355 1.595 -8.834 1.00 33.21 H new ATOM 0 HG22 ILE A 69 -18.427 1.982 -7.467 1.00 33.21 H new ATOM 0 HG23 ILE A 69 -16.685 2.328 -7.358 1.00 33.21 H new ATOM 0 HD11 ILE A 69 -14.665 -0.797 -9.321 1.00 41.25 H new ATOM 0 HD12 ILE A 69 -16.413 -1.086 -9.495 1.00 41.25 H new ATOM 0 HD13 ILE A 69 -15.774 0.575 -9.553 1.00 41.25 H new ATOM 1021 N LYS A 70 -18.709 1.722 -4.298 1.00 55.31 N ATOM 1022 CA LYS A 70 -19.971 2.246 -3.815 1.00 42.41 C ATOM 1023 C LYS A 70 -20.362 3.473 -4.609 1.00 55.22 C ATOM 1024 O LYS A 70 -19.648 4.476 -4.621 1.00 15.45 O ATOM 1025 CB LYS A 70 -19.888 2.583 -2.331 1.00 13.11 C ATOM 1026 CG LYS A 70 -21.208 3.031 -1.729 1.00 20.22 C ATOM 1027 CD LYS A 70 -21.070 3.321 -0.244 1.00 4.13 C ATOM 1028 CE LYS A 70 -22.393 3.758 0.363 1.00 14.30 C ATOM 1029 NZ LYS A 70 -22.256 4.119 1.798 1.00 52.24 N ATOM 0 H LYS A 70 -17.882 2.137 -3.868 1.00 55.31 H new ATOM 0 HA LYS A 70 -20.734 1.479 -3.947 1.00 42.41 H new ATOM 0 HB2 LYS A 70 -19.531 1.708 -1.789 1.00 13.11 H new ATOM 0 HB3 LYS A 70 -19.148 3.371 -2.188 1.00 13.11 H new ATOM 0 HG2 LYS A 70 -21.560 3.924 -2.245 1.00 20.22 H new ATOM 0 HG3 LYS A 70 -21.961 2.257 -1.882 1.00 20.22 H new ATOM 0 HD2 LYS A 70 -20.709 2.430 0.270 1.00 4.13 H new ATOM 0 HD3 LYS A 70 -20.324 4.101 -0.092 1.00 4.13 H new ATOM 0 HE2 LYS A 70 -22.781 4.613 -0.190 1.00 14.30 H new ATOM 0 HE3 LYS A 70 -23.122 2.954 0.260 1.00 14.30 H new ATOM 0 HZ1 LYS A 70 -23.181 4.411 2.172 1.00 52.24 H new ATOM 0 HZ2 LYS A 70 -21.911 3.296 2.332 1.00 52.24 H new ATOM 0 HZ3 LYS A 70 -21.580 4.903 1.896 1.00 52.24 H new ATOM 1043 N ASP A 71 -21.490 3.371 -5.276 1.00 40.51 N ATOM 1044 CA ASP A 71 -21.994 4.457 -6.102 1.00 51.21 C ATOM 1045 C ASP A 71 -22.613 5.528 -5.212 1.00 42.40 C ATOM 1046 O ASP A 71 -23.685 5.325 -4.636 1.00 3.43 O ATOM 1047 CB ASP A 71 -23.025 3.931 -7.105 1.00 1.13 C ATOM 1048 CG ASP A 71 -23.401 4.963 -8.150 1.00 21.12 C ATOM 1049 OD1 ASP A 71 -24.362 5.726 -7.925 1.00 13.13 O ATOM 1050 OD2 ASP A 71 -22.745 5.000 -9.212 1.00 11.25 O ATOM 0 H ASP A 71 -22.083 2.542 -5.265 1.00 40.51 H new ATOM 0 HA ASP A 71 -21.167 4.894 -6.663 1.00 51.21 H new ATOM 0 HB2 ASP A 71 -22.626 3.046 -7.601 1.00 1.13 H new ATOM 0 HB3 ASP A 71 -23.921 3.619 -6.569 1.00 1.13 H new ATOM 1055 N LEU A 72 -21.921 6.647 -5.076 1.00 61.50 N ATOM 1056 CA LEU A 72 -22.359 7.718 -4.193 1.00 24.11 C ATOM 1057 C LEU A 72 -23.014 8.834 -4.991 1.00 75.35 C ATOM 1058 O LEU A 72 -23.201 8.718 -6.203 1.00 42.32 O ATOM 1059 CB LEU A 72 -21.168 8.265 -3.404 1.00 32.25 C ATOM 1060 CG LEU A 72 -20.470 7.259 -2.488 1.00 11.25 C ATOM 1061 CD1 LEU A 72 -19.248 7.891 -1.835 1.00 44.52 C ATOM 1062 CD2 LEU A 72 -21.434 6.745 -1.431 1.00 40.24 C ATOM 0 H LEU A 72 -21.049 6.839 -5.568 1.00 61.50 H new ATOM 0 HA LEU A 72 -23.094 7.315 -3.496 1.00 24.11 H new ATOM 0 HB2 LEU A 72 -20.436 8.657 -4.110 1.00 32.25 H new ATOM 0 HB3 LEU A 72 -21.510 9.105 -2.799 1.00 32.25 H new ATOM 0 HG LEU A 72 -20.139 6.414 -3.092 1.00 11.25 H new ATOM 0 HD11 LEU A 72 -18.764 7.161 -1.187 1.00 44.52 H new ATOM 0 HD12 LEU A 72 -18.548 8.212 -2.607 1.00 44.52 H new ATOM 0 HD13 LEU A 72 -19.556 8.753 -1.244 1.00 44.52 H new ATOM 0 HD21 LEU A 72 -20.921 6.030 -0.788 1.00 40.24 H new ATOM 0 HD22 LEU A 72 -21.795 7.580 -0.830 1.00 40.24 H new ATOM 0 HD23 LEU A 72 -22.279 6.256 -1.916 1.00 40.24 H new ATOM 1074 N GLU A 73 -23.355 9.914 -4.312 1.00 45.10 N ATOM 1075 CA GLU A 73 -24.006 11.040 -4.960 1.00 64.43 C ATOM 1076 C GLU A 73 -22.974 12.089 -5.367 1.00 10.52 C ATOM 1077 O GLU A 73 -22.495 12.865 -4.539 1.00 21.22 O ATOM 1078 CB GLU A 73 -25.079 11.635 -4.041 1.00 73.33 C ATOM 1079 CG GLU A 73 -24.598 11.895 -2.622 1.00 31.14 C ATOM 1080 CD GLU A 73 -25.721 12.284 -1.689 1.00 42.42 C ATOM 1081 OE1 GLU A 73 -26.035 13.488 -1.603 1.00 12.34 O ATOM 1082 OE2 GLU A 73 -26.301 11.385 -1.041 1.00 72.41 O ATOM 0 H GLU A 73 -23.192 10.036 -3.312 1.00 45.10 H new ATOM 0 HA GLU A 73 -24.500 10.690 -5.867 1.00 64.43 H new ATOM 0 HB2 GLU A 73 -25.434 12.571 -4.471 1.00 73.33 H new ATOM 0 HB3 GLU A 73 -25.931 10.957 -4.007 1.00 73.33 H new ATOM 0 HG2 GLU A 73 -24.106 11.000 -2.240 1.00 31.14 H new ATOM 0 HG3 GLU A 73 -23.851 12.688 -2.635 1.00 31.14 H new ATOM 1089 N GLY A 74 -22.604 12.070 -6.641 1.00 33.42 N ATOM 1090 CA GLY A 74 -21.629 13.022 -7.152 1.00 75.22 C ATOM 1091 C GLY A 74 -20.208 12.506 -7.048 1.00 24.33 C ATOM 1092 O GLY A 74 -19.252 13.234 -7.316 1.00 55.53 O ATOM 0 H GLY A 74 -22.961 11.412 -7.333 1.00 33.42 H new ATOM 0 HA2 GLY A 74 -21.856 13.246 -8.194 1.00 75.22 H new ATOM 0 HA3 GLY A 74 -21.714 13.957 -6.599 1.00 75.22 H new ATOM 1096 N GLN A 75 -20.077 11.247 -6.648 1.00 1.41 N ATOM 1097 CA GLN A 75 -18.778 10.604 -6.499 1.00 55.44 C ATOM 1098 C GLN A 75 -18.978 9.116 -6.252 1.00 20.40 C ATOM 1099 O GLN A 75 -20.113 8.645 -6.208 1.00 3.52 O ATOM 1100 CB GLN A 75 -17.991 11.232 -5.339 1.00 22.34 C ATOM 1101 CG GLN A 75 -18.716 11.182 -4.004 1.00 63.22 C ATOM 1102 CD GLN A 75 -17.958 11.898 -2.905 1.00 74.25 C ATOM 1103 OE1 GLN A 75 -18.134 13.096 -2.695 1.00 1.23 O ATOM 1104 NE2 GLN A 75 -17.107 11.171 -2.197 1.00 24.55 N ATOM 0 H GLN A 75 -20.867 10.644 -6.418 1.00 1.41 H new ATOM 0 HA GLN A 75 -18.204 10.748 -7.415 1.00 55.44 H new ATOM 0 HB2 GLN A 75 -17.035 10.718 -5.241 1.00 22.34 H new ATOM 0 HB3 GLN A 75 -17.771 12.271 -5.583 1.00 22.34 H new ATOM 0 HG2 GLN A 75 -19.703 11.632 -4.113 1.00 63.22 H new ATOM 0 HG3 GLN A 75 -18.870 10.142 -3.717 1.00 63.22 H new ATOM 0 HE21 GLN A 75 -16.990 10.179 -2.403 1.00 24.55 H new ATOM 0 HE22 GLN A 75 -16.569 11.603 -1.446 1.00 24.55 H new ATOM 1113 N VAL A 76 -17.889 8.382 -6.105 1.00 73.24 N ATOM 1114 CA VAL A 76 -17.958 6.966 -5.769 1.00 52.33 C ATOM 1115 C VAL A 76 -16.915 6.618 -4.723 1.00 54.15 C ATOM 1116 O VAL A 76 -15.894 7.295 -4.600 1.00 51.12 O ATOM 1117 CB VAL A 76 -17.749 6.050 -6.996 1.00 52.41 C ATOM 1118 CG1 VAL A 76 -18.841 6.264 -8.029 1.00 34.23 C ATOM 1119 CG2 VAL A 76 -16.375 6.271 -7.607 1.00 50.02 C ATOM 0 H VAL A 76 -16.941 8.743 -6.213 1.00 73.24 H new ATOM 0 HA VAL A 76 -18.962 6.793 -5.382 1.00 52.33 H new ATOM 0 HB VAL A 76 -17.807 5.016 -6.657 1.00 52.41 H new ATOM 0 HG11 VAL A 76 -18.669 5.607 -8.882 1.00 34.23 H new ATOM 0 HG12 VAL A 76 -19.811 6.037 -7.586 1.00 34.23 H new ATOM 0 HG13 VAL A 76 -18.828 7.302 -8.362 1.00 34.23 H new ATOM 0 HG21 VAL A 76 -16.250 5.616 -8.469 1.00 50.02 H new ATOM 0 HG22 VAL A 76 -16.281 7.310 -7.924 1.00 50.02 H new ATOM 0 HG23 VAL A 76 -15.607 6.047 -6.867 1.00 50.02 H new ATOM 1129 N GLU A 77 -17.180 5.568 -3.972 1.00 73.24 N ATOM 1130 CA GLU A 77 -16.245 5.093 -2.973 1.00 54.54 C ATOM 1131 C GLU A 77 -15.546 3.833 -3.470 1.00 75.33 C ATOM 1132 O GLU A 77 -16.184 2.792 -3.645 1.00 63.33 O ATOM 1133 CB GLU A 77 -16.980 4.796 -1.658 1.00 4.41 C ATOM 1134 CG GLU A 77 -16.082 4.243 -0.562 1.00 41.44 C ATOM 1135 CD GLU A 77 -16.866 3.714 0.622 1.00 14.41 C ATOM 1136 OE1 GLU A 77 -17.223 4.512 1.512 1.00 41.41 O ATOM 1137 OE2 GLU A 77 -17.127 2.491 0.669 1.00 35.45 O ATOM 0 H GLU A 77 -18.041 5.025 -4.036 1.00 73.24 H new ATOM 0 HA GLU A 77 -15.500 5.868 -2.795 1.00 54.54 H new ATOM 0 HB2 GLU A 77 -17.450 5.712 -1.301 1.00 4.41 H new ATOM 0 HB3 GLU A 77 -17.780 4.082 -1.853 1.00 4.41 H new ATOM 0 HG2 GLU A 77 -15.466 3.443 -0.972 1.00 41.44 H new ATOM 0 HG3 GLU A 77 -15.404 5.026 -0.223 1.00 41.44 H new ATOM 1144 N LEU A 78 -14.249 3.928 -3.704 1.00 1.24 N ATOM 1145 CA LEU A 78 -13.464 2.766 -4.064 1.00 23.33 C ATOM 1146 C LEU A 78 -12.867 2.186 -2.793 1.00 24.35 C ATOM 1147 O LEU A 78 -11.987 2.787 -2.175 1.00 24.44 O ATOM 1148 CB LEU A 78 -12.374 3.139 -5.085 1.00 51.00 C ATOM 1149 CG LEU A 78 -11.637 1.967 -5.756 1.00 15.24 C ATOM 1150 CD1 LEU A 78 -10.547 1.411 -4.849 1.00 34.13 C ATOM 1151 CD2 LEU A 78 -12.619 0.870 -6.140 1.00 11.45 C ATOM 0 H LEU A 78 -13.720 4.798 -3.651 1.00 1.24 H new ATOM 0 HA LEU A 78 -14.096 2.016 -4.541 1.00 23.33 H new ATOM 0 HB2 LEU A 78 -12.831 3.748 -5.866 1.00 51.00 H new ATOM 0 HB3 LEU A 78 -11.636 3.765 -4.584 1.00 51.00 H new ATOM 0 HG LEU A 78 -11.162 2.344 -6.662 1.00 15.24 H new ATOM 0 HD11 LEU A 78 -10.044 0.584 -5.350 1.00 34.13 H new ATOM 0 HD12 LEU A 78 -9.823 2.195 -4.627 1.00 34.13 H new ATOM 0 HD13 LEU A 78 -10.993 1.055 -3.920 1.00 34.13 H new ATOM 0 HD21 LEU A 78 -12.081 0.049 -6.613 1.00 11.45 H new ATOM 0 HD22 LEU A 78 -13.124 0.505 -5.246 1.00 11.45 H new ATOM 0 HD23 LEU A 78 -13.357 1.269 -6.836 1.00 11.45 H new ATOM 1163 N ASP A 79 -13.375 1.038 -2.395 1.00 3.34 N ATOM 1164 CA ASP A 79 -13.004 0.439 -1.122 1.00 75.44 C ATOM 1165 C ASP A 79 -12.233 -0.842 -1.357 1.00 72.44 C ATOM 1166 O ASP A 79 -12.782 -1.819 -1.856 1.00 32.04 O ATOM 1167 CB ASP A 79 -14.251 0.151 -0.286 1.00 55.32 C ATOM 1168 CG ASP A 79 -13.919 -0.142 1.160 1.00 14.32 C ATOM 1169 OD1 ASP A 79 -13.588 0.807 1.900 1.00 62.31 O ATOM 1170 OD2 ASP A 79 -14.003 -1.319 1.570 1.00 0.44 O ATOM 0 H ASP A 79 -14.049 0.496 -2.935 1.00 3.34 H new ATOM 0 HA ASP A 79 -12.372 1.141 -0.578 1.00 75.44 H new ATOM 0 HB2 ASP A 79 -14.924 1.007 -0.335 1.00 55.32 H new ATOM 0 HB3 ASP A 79 -14.784 -0.699 -0.713 1.00 55.32 H new ATOM 1175 N ALA A 80 -10.960 -0.833 -1.019 1.00 73.24 N ATOM 1176 CA ALA A 80 -10.105 -1.976 -1.271 1.00 35.00 C ATOM 1177 C ALA A 80 -9.667 -2.640 0.025 1.00 72.40 C ATOM 1178 O ALA A 80 -9.325 -1.966 0.997 1.00 31.52 O ATOM 1179 CB ALA A 80 -8.892 -1.549 -2.079 1.00 25.04 C ATOM 0 H ALA A 80 -10.493 -0.046 -0.568 1.00 73.24 H new ATOM 0 HA ALA A 80 -10.678 -2.707 -1.841 1.00 35.00 H new ATOM 0 HB1 ALA A 80 -8.255 -2.414 -2.264 1.00 25.04 H new ATOM 0 HB2 ALA A 80 -9.218 -1.129 -3.030 1.00 25.04 H new ATOM 0 HB3 ALA A 80 -8.331 -0.797 -1.524 1.00 25.04 H new ATOM 1185 N ALA A 81 -9.714 -3.961 0.039 1.00 71.12 N ATOM 1186 CA ALA A 81 -9.191 -4.750 1.140 1.00 45.33 C ATOM 1187 C ALA A 81 -8.264 -5.834 0.604 1.00 62.43 C ATOM 1188 O ALA A 81 -8.711 -6.804 -0.010 1.00 50.34 O ATOM 1189 CB ALA A 81 -10.323 -5.367 1.944 1.00 70.13 C ATOM 0 H ALA A 81 -10.117 -4.518 -0.715 1.00 71.12 H new ATOM 0 HA ALA A 81 -8.624 -4.095 1.802 1.00 45.33 H new ATOM 0 HB1 ALA A 81 -9.909 -5.954 2.764 1.00 70.13 H new ATOM 0 HB2 ALA A 81 -10.956 -4.576 2.347 1.00 70.13 H new ATOM 0 HB3 ALA A 81 -10.917 -6.014 1.299 1.00 70.13 H new ATOM 1195 N PHE A 82 -6.973 -5.645 0.811 1.00 43.23 N ATOM 1196 CA PHE A 82 -5.973 -6.592 0.341 1.00 12.05 C ATOM 1197 C PHE A 82 -5.422 -7.402 1.501 1.00 43.21 C ATOM 1198 O PHE A 82 -4.806 -6.850 2.411 1.00 14.45 O ATOM 1199 CB PHE A 82 -4.820 -5.861 -0.354 1.00 75.33 C ATOM 1200 CG PHE A 82 -5.188 -5.223 -1.665 1.00 72.21 C ATOM 1201 CD1 PHE A 82 -5.668 -3.922 -1.712 1.00 64.34 C ATOM 1202 CD2 PHE A 82 -5.045 -5.922 -2.855 1.00 61.03 C ATOM 1203 CE1 PHE A 82 -5.998 -3.334 -2.918 1.00 61.23 C ATOM 1204 CE2 PHE A 82 -5.373 -5.336 -4.064 1.00 21.12 C ATOM 1205 CZ PHE A 82 -5.850 -4.043 -4.094 1.00 51.43 C ATOM 0 H PHE A 82 -6.589 -4.839 1.305 1.00 43.23 H new ATOM 0 HA PHE A 82 -6.455 -7.261 -0.372 1.00 12.05 H new ATOM 0 HB2 PHE A 82 -4.438 -5.091 0.316 1.00 75.33 H new ATOM 0 HB3 PHE A 82 -4.008 -6.568 -0.523 1.00 75.33 H new ATOM 0 HD1 PHE A 82 -5.785 -3.363 -0.796 1.00 64.34 H new ATOM 0 HD2 PHE A 82 -4.673 -6.936 -2.837 1.00 61.03 H new ATOM 0 HE1 PHE A 82 -6.371 -2.321 -2.941 1.00 61.23 H new ATOM 0 HE2 PHE A 82 -5.256 -5.891 -4.983 1.00 21.12 H new ATOM 0 HZ PHE A 82 -6.108 -3.584 -5.037 1.00 51.43 H new ATOM 1215 N THR A 83 -5.654 -8.702 1.467 1.00 11.23 N ATOM 1216 CA THR A 83 -5.116 -9.601 2.472 1.00 31.13 C ATOM 1217 C THR A 83 -3.838 -10.262 1.961 1.00 23.32 C ATOM 1218 O THR A 83 -3.879 -11.115 1.071 1.00 71.01 O ATOM 1219 CB THR A 83 -6.139 -10.687 2.866 1.00 4.12 C ATOM 1220 OG1 THR A 83 -7.346 -10.072 3.338 1.00 3.43 O ATOM 1221 CG2 THR A 83 -5.576 -11.601 3.947 1.00 41.50 C ATOM 0 H THR A 83 -6.215 -9.161 0.749 1.00 11.23 H new ATOM 0 HA THR A 83 -4.890 -9.007 3.358 1.00 31.13 H new ATOM 0 HB THR A 83 -6.355 -11.288 1.982 1.00 4.12 H new ATOM 0 HG1 THR A 83 -7.198 -9.708 4.236 1.00 3.43 H new ATOM 0 HG21 THR A 83 -6.317 -12.357 4.206 1.00 41.50 H new ATOM 0 HG22 THR A 83 -4.674 -12.089 3.578 1.00 41.50 H new ATOM 0 HG23 THR A 83 -5.334 -11.012 4.832 1.00 41.50 H new ATOM 1229 N PHE A 84 -2.710 -9.842 2.509 1.00 34.22 N ATOM 1230 CA PHE A 84 -1.419 -10.381 2.113 1.00 24.44 C ATOM 1231 C PHE A 84 -1.049 -11.574 2.983 1.00 13.12 C ATOM 1232 O PHE A 84 -1.725 -11.865 3.970 1.00 31.34 O ATOM 1233 CB PHE A 84 -0.341 -9.303 2.210 1.00 1.33 C ATOM 1234 CG PHE A 84 -0.566 -8.148 1.279 1.00 11.25 C ATOM 1235 CD1 PHE A 84 -1.308 -7.048 1.680 1.00 52.42 C ATOM 1236 CD2 PHE A 84 -0.037 -8.165 -0.001 1.00 52.43 C ATOM 1237 CE1 PHE A 84 -1.515 -5.986 0.819 1.00 33.01 C ATOM 1238 CE2 PHE A 84 -0.242 -7.108 -0.863 1.00 44.51 C ATOM 1239 CZ PHE A 84 -0.982 -6.018 -0.455 1.00 24.53 C ATOM 0 H PHE A 84 -2.662 -9.125 3.233 1.00 34.22 H new ATOM 0 HA PHE A 84 -1.488 -10.715 1.078 1.00 24.44 H new ATOM 0 HB2 PHE A 84 -0.300 -8.932 3.234 1.00 1.33 H new ATOM 0 HB3 PHE A 84 0.629 -9.750 1.994 1.00 1.33 H new ATOM 0 HD1 PHE A 84 -1.728 -7.020 2.674 1.00 52.42 H new ATOM 0 HD2 PHE A 84 0.543 -9.016 -0.328 1.00 52.43 H new ATOM 0 HE1 PHE A 84 -2.093 -5.133 1.142 1.00 33.01 H new ATOM 0 HE2 PHE A 84 0.177 -7.134 -1.858 1.00 44.51 H new ATOM 0 HZ PHE A 84 -1.144 -5.191 -1.130 1.00 24.53 H new ATOM 1249 N SER A 85 0.023 -12.258 2.615 1.00 41.23 N ATOM 1250 CA SER A 85 0.470 -13.426 3.357 1.00 4.33 C ATOM 1251 C SER A 85 1.109 -12.991 4.672 1.00 2.04 C ATOM 1252 O SER A 85 0.826 -13.542 5.736 1.00 64.03 O ATOM 1253 CB SER A 85 1.471 -14.213 2.515 1.00 1.32 C ATOM 1254 OG SER A 85 1.162 -14.105 1.132 1.00 15.42 O ATOM 0 H SER A 85 0.600 -12.024 1.807 1.00 41.23 H new ATOM 0 HA SER A 85 -0.385 -14.064 3.580 1.00 4.33 H new ATOM 0 HB2 SER A 85 2.479 -13.840 2.697 1.00 1.32 H new ATOM 0 HB3 SER A 85 1.460 -15.261 2.814 1.00 1.32 H new ATOM 0 HG SER A 85 1.573 -13.294 0.767 1.00 15.42 H new ATOM 1260 N CYS A 86 1.981 -11.998 4.580 1.00 74.51 N ATOM 1261 CA CYS A 86 2.601 -11.400 5.749 1.00 11.01 C ATOM 1262 C CYS A 86 2.565 -9.881 5.632 1.00 40.35 C ATOM 1263 O CYS A 86 2.437 -9.341 4.531 1.00 51.22 O ATOM 1264 CB CYS A 86 4.043 -11.892 5.899 1.00 23.05 C ATOM 1265 SG CYS A 86 4.186 -13.683 6.099 1.00 63.42 S ATOM 0 H CYS A 86 2.277 -11.586 3.695 1.00 74.51 H new ATOM 0 HA CYS A 86 2.044 -11.699 6.637 1.00 11.01 H new ATOM 0 HB2 CYS A 86 4.614 -11.587 5.022 1.00 23.05 H new ATOM 0 HB3 CYS A 86 4.496 -11.402 6.761 1.00 23.05 H new ATOM 0 HG CYS A 86 5.439 -14.008 6.216 1.00 63.42 H new ATOM 1271 N GLN A 87 2.686 -9.199 6.765 1.00 43.43 N ATOM 1272 CA GLN A 87 2.610 -7.739 6.808 1.00 4.51 C ATOM 1273 C GLN A 87 3.706 -7.087 5.961 1.00 51.12 C ATOM 1274 O GLN A 87 3.553 -5.952 5.508 1.00 15.13 O ATOM 1275 CB GLN A 87 2.676 -7.252 8.264 1.00 71.32 C ATOM 1276 CG GLN A 87 2.758 -5.738 8.415 1.00 3.14 C ATOM 1277 CD GLN A 87 2.405 -5.270 9.813 1.00 53.31 C ATOM 1278 OE1 GLN A 87 3.265 -5.166 10.682 1.00 44.12 O ATOM 1279 NE2 GLN A 87 1.131 -4.988 10.042 1.00 61.41 N ATOM 0 H GLN A 87 2.838 -9.636 7.674 1.00 43.43 H new ATOM 0 HA GLN A 87 1.655 -7.438 6.378 1.00 4.51 H new ATOM 0 HB2 GLN A 87 1.795 -7.611 8.795 1.00 71.32 H new ATOM 0 HB3 GLN A 87 3.544 -7.701 8.746 1.00 71.32 H new ATOM 0 HG2 GLN A 87 3.767 -5.406 8.169 1.00 3.14 H new ATOM 0 HG3 GLN A 87 2.085 -5.268 7.698 1.00 3.14 H new ATOM 0 HE21 GLN A 87 0.444 -5.087 9.294 1.00 61.41 H new ATOM 0 HE22 GLN A 87 0.837 -4.672 10.966 1.00 61.41 H new ATOM 1288 N ALA A 88 4.793 -7.818 5.726 1.00 54.30 N ATOM 1289 CA ALA A 88 5.894 -7.327 4.900 1.00 12.02 C ATOM 1290 C ALA A 88 5.404 -6.931 3.507 1.00 41.43 C ATOM 1291 O ALA A 88 5.831 -5.920 2.953 1.00 34.24 O ATOM 1292 CB ALA A 88 6.979 -8.386 4.794 1.00 13.32 C ATOM 0 H ALA A 88 4.935 -8.757 6.098 1.00 54.30 H new ATOM 0 HA ALA A 88 6.307 -6.439 5.377 1.00 12.02 H new ATOM 0 HB1 ALA A 88 7.795 -8.010 4.176 1.00 13.32 H new ATOM 0 HB2 ALA A 88 7.356 -8.622 5.789 1.00 13.32 H new ATOM 0 HB3 ALA A 88 6.565 -9.287 4.340 1.00 13.32 H new ATOM 1298 N GLU A 89 4.491 -7.725 2.959 1.00 42.51 N ATOM 1299 CA GLU A 89 3.924 -7.457 1.640 1.00 1.25 C ATOM 1300 C GLU A 89 2.959 -6.278 1.699 1.00 23.50 C ATOM 1301 O GLU A 89 2.780 -5.561 0.716 1.00 63.43 O ATOM 1302 CB GLU A 89 3.179 -8.694 1.133 1.00 44.41 C ATOM 1303 CG GLU A 89 4.033 -9.944 1.064 1.00 12.13 C ATOM 1304 CD GLU A 89 3.217 -11.207 1.246 1.00 71.34 C ATOM 1305 OE1 GLU A 89 2.339 -11.499 0.402 1.00 4.11 O ATOM 1306 OE2 GLU A 89 3.435 -11.908 2.254 1.00 12.44 O ATOM 0 H GLU A 89 4.125 -8.564 3.409 1.00 42.51 H new ATOM 0 HA GLU A 89 4.740 -7.213 0.959 1.00 1.25 H new ATOM 0 HB2 GLU A 89 2.327 -8.885 1.785 1.00 44.41 H new ATOM 0 HB3 GLU A 89 2.780 -8.484 0.141 1.00 44.41 H new ATOM 0 HG2 GLU A 89 4.544 -9.980 0.102 1.00 12.13 H new ATOM 0 HG3 GLU A 89 4.804 -9.898 1.833 1.00 12.13 H new ATOM 1313 N MET A 90 2.341 -6.083 2.857 1.00 44.44 N ATOM 1314 CA MET A 90 1.357 -5.023 3.024 1.00 35.11 C ATOM 1315 C MET A 90 2.037 -3.663 3.128 1.00 0.41 C ATOM 1316 O MET A 90 1.633 -2.707 2.469 1.00 2.03 O ATOM 1317 CB MET A 90 0.494 -5.273 4.263 1.00 21.15 C ATOM 1318 CG MET A 90 -0.698 -4.331 4.370 1.00 50.53 C ATOM 1319 SD MET A 90 -1.660 -4.583 5.874 1.00 64.33 S ATOM 1320 CE MET A 90 -0.491 -4.038 7.114 1.00 1.24 C ATOM 0 H MET A 90 2.504 -6.644 3.693 1.00 44.44 H new ATOM 0 HA MET A 90 0.713 -5.024 2.144 1.00 35.11 H new ATOM 0 HB2 MET A 90 0.134 -6.302 4.244 1.00 21.15 H new ATOM 0 HB3 MET A 90 1.112 -5.168 5.155 1.00 21.15 H new ATOM 0 HG2 MET A 90 -0.344 -3.301 4.340 1.00 50.53 H new ATOM 0 HG3 MET A 90 -1.344 -4.471 3.504 1.00 50.53 H new ATOM 0 HE1 MET A 90 -1.004 -3.912 8.067 1.00 1.24 H new ATOM 0 HE2 MET A 90 0.298 -4.782 7.222 1.00 1.24 H new ATOM 0 HE3 MET A 90 -0.054 -3.087 6.809 1.00 1.24 H new ATOM 1330 N ILE A 91 3.080 -3.583 3.948 1.00 2.45 N ATOM 1331 CA ILE A 91 3.783 -2.327 4.158 1.00 13.33 C ATOM 1332 C ILE A 91 4.452 -1.828 2.876 1.00 45.24 C ATOM 1333 O ILE A 91 4.398 -0.637 2.575 1.00 74.20 O ATOM 1334 CB ILE A 91 4.820 -2.425 5.302 1.00 65.51 C ATOM 1335 CG1 ILE A 91 5.698 -3.668 5.151 1.00 54.11 C ATOM 1336 CG2 ILE A 91 4.117 -2.435 6.650 1.00 21.20 C ATOM 1337 CD1 ILE A 91 6.857 -3.719 6.126 1.00 25.12 C ATOM 0 H ILE A 91 3.455 -4.372 4.475 1.00 2.45 H new ATOM 0 HA ILE A 91 3.027 -1.599 4.452 1.00 13.33 H new ATOM 0 HB ILE A 91 5.467 -1.549 5.246 1.00 65.51 H new ATOM 0 HG12 ILE A 91 5.081 -4.556 5.287 1.00 54.11 H new ATOM 0 HG13 ILE A 91 6.089 -3.704 4.134 1.00 54.11 H new ATOM 0 HG21 ILE A 91 4.858 -2.504 7.446 1.00 21.20 H new ATOM 0 HG22 ILE A 91 3.543 -1.516 6.768 1.00 21.20 H new ATOM 0 HG23 ILE A 91 3.445 -3.292 6.704 1.00 21.20 H new ATOM 0 HD11 ILE A 91 7.434 -4.629 5.958 1.00 25.12 H new ATOM 0 HD12 ILE A 91 7.498 -2.850 5.975 1.00 25.12 H new ATOM 0 HD13 ILE A 91 6.474 -3.715 7.147 1.00 25.12 H new ATOM 1349 N ILE A 92 5.055 -2.734 2.104 1.00 11.11 N ATOM 1350 CA ILE A 92 5.667 -2.349 0.838 1.00 33.52 C ATOM 1351 C ILE A 92 4.601 -1.898 -0.155 1.00 22.55 C ATOM 1352 O ILE A 92 4.841 -1.022 -0.990 1.00 33.20 O ATOM 1353 CB ILE A 92 6.504 -3.488 0.209 1.00 5.51 C ATOM 1354 CG1 ILE A 92 5.653 -4.732 -0.049 1.00 22.12 C ATOM 1355 CG2 ILE A 92 7.701 -3.827 1.089 1.00 43.23 C ATOM 1356 CD1 ILE A 92 6.363 -5.776 -0.885 1.00 62.41 C ATOM 0 H ILE A 92 5.131 -3.725 2.332 1.00 11.11 H new ATOM 0 HA ILE A 92 6.344 -1.524 1.060 1.00 33.52 H new ATOM 0 HB ILE A 92 6.872 -3.134 -0.754 1.00 5.51 H new ATOM 0 HG12 ILE A 92 5.367 -5.173 0.906 1.00 22.12 H new ATOM 0 HG13 ILE A 92 4.732 -4.437 -0.553 1.00 22.12 H new ATOM 0 HG21 ILE A 92 8.276 -4.630 0.628 1.00 43.23 H new ATOM 0 HG22 ILE A 92 8.333 -2.946 1.199 1.00 43.23 H new ATOM 0 HG23 ILE A 92 7.352 -4.148 2.070 1.00 43.23 H new ATOM 0 HD11 ILE A 92 5.706 -6.633 -1.032 1.00 62.41 H new ATOM 0 HD12 ILE A 92 6.625 -5.350 -1.853 1.00 62.41 H new ATOM 0 HD13 ILE A 92 7.270 -6.098 -0.372 1.00 62.41 H new ATOM 1368 N PHE A 93 3.419 -2.489 -0.041 1.00 70.22 N ATOM 1369 CA PHE A 93 2.297 -2.145 -0.895 1.00 30.25 C ATOM 1370 C PHE A 93 1.823 -0.730 -0.592 1.00 70.25 C ATOM 1371 O PHE A 93 1.648 0.080 -1.500 1.00 22.22 O ATOM 1372 CB PHE A 93 1.167 -3.154 -0.682 1.00 40.21 C ATOM 1373 CG PHE A 93 -0.019 -2.960 -1.577 1.00 71.44 C ATOM 1374 CD1 PHE A 93 0.054 -3.287 -2.921 1.00 14.12 C ATOM 1375 CD2 PHE A 93 -1.210 -2.466 -1.072 1.00 24.30 C ATOM 1376 CE1 PHE A 93 -1.038 -3.122 -3.745 1.00 13.13 C ATOM 1377 CE2 PHE A 93 -2.307 -2.300 -1.892 1.00 63.41 C ATOM 1378 CZ PHE A 93 -2.220 -2.628 -3.230 1.00 55.23 C ATOM 0 H PHE A 93 3.214 -3.217 0.644 1.00 70.22 H new ATOM 0 HA PHE A 93 2.609 -2.182 -1.939 1.00 30.25 H new ATOM 0 HB2 PHE A 93 1.561 -4.159 -0.835 1.00 40.21 H new ATOM 0 HB3 PHE A 93 0.836 -3.096 0.355 1.00 40.21 H new ATOM 0 HD1 PHE A 93 0.976 -3.675 -3.327 1.00 14.12 H new ATOM 0 HD2 PHE A 93 -1.281 -2.208 -0.026 1.00 24.30 H new ATOM 0 HE1 PHE A 93 -0.969 -3.379 -4.792 1.00 13.13 H new ATOM 0 HE2 PHE A 93 -3.231 -1.914 -1.488 1.00 63.41 H new ATOM 0 HZ PHE A 93 -3.077 -2.498 -3.874 1.00 55.23 H new ATOM 1388 N GLU A 94 1.649 -0.437 0.692 1.00 72.05 N ATOM 1389 CA GLU A 94 1.249 0.896 1.131 1.00 62.24 C ATOM 1390 C GLU A 94 2.223 1.956 0.631 1.00 2.22 C ATOM 1391 O GLU A 94 1.807 3.012 0.152 1.00 23.31 O ATOM 1392 CB GLU A 94 1.168 0.953 2.657 1.00 34.10 C ATOM 1393 CG GLU A 94 0.065 0.092 3.243 1.00 35.23 C ATOM 1394 CD GLU A 94 -1.314 0.578 2.847 1.00 14.01 C ATOM 1395 OE1 GLU A 94 -1.672 1.724 3.201 1.00 70.51 O ATOM 1396 OE2 GLU A 94 -2.041 -0.173 2.174 1.00 71.03 O ATOM 0 H GLU A 94 1.779 -1.107 1.450 1.00 72.05 H new ATOM 0 HA GLU A 94 0.265 1.102 0.709 1.00 62.24 H new ATOM 0 HB2 GLU A 94 2.124 0.637 3.075 1.00 34.10 H new ATOM 0 HB3 GLU A 94 1.012 1.987 2.965 1.00 34.10 H new ATOM 0 HG2 GLU A 94 0.195 -0.938 2.910 1.00 35.23 H new ATOM 0 HG3 GLU A 94 0.148 0.088 4.330 1.00 35.23 H new ATOM 1403 N LEU A 95 3.514 1.668 0.746 1.00 24.12 N ATOM 1404 CA LEU A 95 4.547 2.585 0.282 1.00 40.24 C ATOM 1405 C LEU A 95 4.435 2.798 -1.225 1.00 52.43 C ATOM 1406 O LEU A 95 4.478 3.930 -1.704 1.00 4.03 O ATOM 1407 CB LEU A 95 5.935 2.050 0.636 1.00 73.32 C ATOM 1408 CG LEU A 95 6.181 1.825 2.131 1.00 34.04 C ATOM 1409 CD1 LEU A 95 7.551 1.209 2.358 1.00 10.01 C ATOM 1410 CD2 LEU A 95 6.047 3.133 2.900 1.00 73.44 C ATOM 0 H LEU A 95 3.870 0.805 1.157 1.00 24.12 H new ATOM 0 HA LEU A 95 4.404 3.543 0.781 1.00 40.24 H new ATOM 0 HB2 LEU A 95 6.089 1.107 0.112 1.00 73.32 H new ATOM 0 HB3 LEU A 95 6.683 2.748 0.261 1.00 73.32 H new ATOM 0 HG LEU A 95 5.426 1.132 2.503 1.00 34.04 H new ATOM 0 HD11 LEU A 95 7.709 1.056 3.426 1.00 10.01 H new ATOM 0 HD12 LEU A 95 7.609 0.251 1.842 1.00 10.01 H new ATOM 0 HD13 LEU A 95 8.319 1.878 1.970 1.00 10.01 H new ATOM 0 HD21 LEU A 95 6.225 2.952 3.960 1.00 73.44 H new ATOM 0 HD22 LEU A 95 6.777 3.851 2.527 1.00 73.44 H new ATOM 0 HD23 LEU A 95 5.042 3.533 2.764 1.00 73.44 H new ATOM 1422 N SER A 96 4.262 1.701 -1.959 1.00 73.32 N ATOM 1423 CA SER A 96 4.147 1.751 -3.412 1.00 41.23 C ATOM 1424 C SER A 96 2.928 2.566 -3.845 1.00 72.24 C ATOM 1425 O SER A 96 2.955 3.227 -4.884 1.00 70.04 O ATOM 1426 CB SER A 96 4.064 0.331 -3.982 1.00 73.41 C ATOM 1427 OG SER A 96 5.227 -0.414 -3.656 1.00 75.22 O ATOM 0 H SER A 96 4.198 0.762 -1.567 1.00 73.32 H new ATOM 0 HA SER A 96 5.036 2.244 -3.805 1.00 41.23 H new ATOM 0 HB2 SER A 96 3.182 -0.173 -3.587 1.00 73.41 H new ATOM 0 HB3 SER A 96 3.947 0.376 -5.065 1.00 73.41 H new ATOM 0 HG SER A 96 5.198 -0.668 -2.710 1.00 75.22 H new ATOM 1433 N LEU A 97 1.869 2.517 -3.041 1.00 41.02 N ATOM 1434 CA LEU A 97 0.666 3.301 -3.303 1.00 50.13 C ATOM 1435 C LEU A 97 0.983 4.790 -3.274 1.00 63.32 C ATOM 1436 O LEU A 97 0.590 5.540 -4.168 1.00 63.22 O ATOM 1437 CB LEU A 97 -0.416 2.987 -2.273 1.00 43.05 C ATOM 1438 CG LEU A 97 -0.910 1.541 -2.259 1.00 1.43 C ATOM 1439 CD1 LEU A 97 -1.962 1.347 -1.179 1.00 75.24 C ATOM 1440 CD2 LEU A 97 -1.466 1.153 -3.620 1.00 61.03 C ATOM 0 H LEU A 97 1.820 1.941 -2.201 1.00 41.02 H new ATOM 0 HA LEU A 97 0.299 3.034 -4.294 1.00 50.13 H new ATOM 0 HB2 LEU A 97 -0.032 3.231 -1.282 1.00 43.05 H new ATOM 0 HB3 LEU A 97 -1.268 3.642 -2.455 1.00 43.05 H new ATOM 0 HG LEU A 97 -0.064 0.892 -2.036 1.00 1.43 H new ATOM 0 HD11 LEU A 97 -2.302 0.311 -1.184 1.00 75.24 H new ATOM 0 HD12 LEU A 97 -1.532 1.583 -0.206 1.00 75.24 H new ATOM 0 HD13 LEU A 97 -2.807 2.007 -1.372 1.00 75.24 H new ATOM 0 HD21 LEU A 97 -1.813 0.120 -3.590 1.00 61.03 H new ATOM 0 HD22 LEU A 97 -2.299 1.808 -3.873 1.00 61.03 H new ATOM 0 HD23 LEU A 97 -0.685 1.252 -4.374 1.00 61.03 H new ATOM 1452 N ARG A 98 1.712 5.209 -2.243 1.00 31.30 N ATOM 1453 CA ARG A 98 2.097 6.608 -2.102 1.00 3.21 C ATOM 1454 C ARG A 98 3.039 7.016 -3.226 1.00 22.15 C ATOM 1455 O ARG A 98 2.918 8.106 -3.778 1.00 11.12 O ATOM 1456 CB ARG A 98 2.760 6.868 -0.743 1.00 13.01 C ATOM 1457 CG ARG A 98 1.782 7.090 0.402 1.00 31.24 C ATOM 1458 CD ARG A 98 0.935 5.863 0.677 1.00 34.32 C ATOM 1459 NE ARG A 98 -0.014 6.082 1.768 1.00 74.40 N ATOM 1460 CZ ARG A 98 -0.710 5.111 2.360 1.00 61.05 C ATOM 1461 NH1 ARG A 98 -0.554 3.849 1.976 1.00 43.21 N ATOM 1462 NH2 ARG A 98 -1.550 5.399 3.345 1.00 21.50 N ATOM 0 H ARG A 98 2.047 4.601 -1.496 1.00 31.30 H new ATOM 0 HA ARG A 98 1.190 7.210 -2.160 1.00 3.21 H new ATOM 0 HB2 ARG A 98 3.402 6.022 -0.498 1.00 13.01 H new ATOM 0 HB3 ARG A 98 3.405 7.743 -0.829 1.00 13.01 H new ATOM 0 HG2 ARG A 98 2.334 7.358 1.303 1.00 31.24 H new ATOM 0 HG3 ARG A 98 1.132 7.932 0.165 1.00 31.24 H new ATOM 0 HD2 ARG A 98 0.391 5.589 -0.227 1.00 34.32 H new ATOM 0 HD3 ARG A 98 1.584 5.023 0.925 1.00 34.32 H new ATOM 0 HE ARG A 98 -0.152 7.038 2.097 1.00 74.40 H new ATOM 0 HH11 ARG A 98 0.099 3.621 1.227 1.00 43.21 H new ATOM 0 HH12 ARG A 98 -1.088 3.108 2.430 1.00 43.21 H new ATOM 0 HH21 ARG A 98 -1.665 6.365 3.651 1.00 21.50 H new ATOM 0 HH22 ARG A 98 -2.081 4.654 3.796 1.00 21.50 H new ATOM 1476 N SER A 99 3.951 6.117 -3.579 1.00 13.54 N ATOM 1477 CA SER A 99 4.934 6.383 -4.625 1.00 61.44 C ATOM 1478 C SER A 99 4.292 6.402 -6.011 1.00 11.42 C ATOM 1479 O SER A 99 4.929 6.781 -6.993 1.00 25.13 O ATOM 1480 CB SER A 99 6.040 5.328 -4.583 1.00 51.30 C ATOM 1481 OG SER A 99 6.609 5.249 -3.291 1.00 75.44 O ATOM 0 H SER A 99 4.031 5.193 -3.154 1.00 13.54 H new ATOM 0 HA SER A 99 5.359 7.369 -4.438 1.00 61.44 H new ATOM 0 HB2 SER A 99 5.634 4.357 -4.866 1.00 51.30 H new ATOM 0 HB3 SER A 99 6.813 5.575 -5.311 1.00 51.30 H new ATOM 0 HG SER A 99 5.973 4.823 -2.679 1.00 75.44 H new ATOM 1487 N LEU A 100 3.038 5.981 -6.094 1.00 53.40 N ATOM 1488 CA LEU A 100 2.325 5.982 -7.362 1.00 13.23 C ATOM 1489 C LEU A 100 1.588 7.297 -7.546 1.00 14.03 C ATOM 1490 O LEU A 100 1.730 7.962 -8.573 1.00 4.03 O ATOM 1491 CB LEU A 100 1.349 4.809 -7.427 1.00 33.21 C ATOM 1492 CG LEU A 100 0.643 4.616 -8.776 1.00 74.53 C ATOM 1493 CD1 LEU A 100 0.341 3.147 -9.010 1.00 25.22 C ATOM 1494 CD2 LEU A 100 -0.649 5.426 -8.841 1.00 62.12 C ATOM 0 H LEU A 100 2.496 5.636 -5.302 1.00 53.40 H new ATOM 0 HA LEU A 100 3.049 5.871 -8.170 1.00 13.23 H new ATOM 0 HB2 LEU A 100 1.890 3.894 -7.185 1.00 33.21 H new ATOM 0 HB3 LEU A 100 0.591 4.945 -6.655 1.00 33.21 H new ATOM 0 HG LEU A 100 1.314 4.973 -9.558 1.00 74.53 H new ATOM 0 HD11 LEU A 100 -0.160 3.027 -9.971 1.00 25.22 H new ATOM 0 HD12 LEU A 100 1.272 2.580 -9.013 1.00 25.22 H new ATOM 0 HD13 LEU A 100 -0.307 2.778 -8.215 1.00 25.22 H new ATOM 0 HD21 LEU A 100 -1.128 5.270 -9.808 1.00 62.12 H new ATOM 0 HD22 LEU A 100 -1.322 5.103 -8.047 1.00 62.12 H new ATOM 0 HD23 LEU A 100 -0.422 6.485 -8.715 1.00 62.12 H new ATOM 1506 N ALA A 101 0.792 7.657 -6.551 1.00 70.00 N ATOM 1507 CA ALA A 101 0.070 8.920 -6.572 1.00 13.41 C ATOM 1508 C ALA A 101 1.048 10.083 -6.522 1.00 61.22 C ATOM 1509 O ALA A 101 0.805 11.145 -7.099 1.00 11.12 O ATOM 1510 CB ALA A 101 -0.913 8.988 -5.415 1.00 10.24 C ATOM 0 H ALA A 101 0.629 7.092 -5.718 1.00 70.00 H new ATOM 0 HA ALA A 101 -0.496 8.987 -7.501 1.00 13.41 H new ATOM 0 HB1 ALA A 101 -1.445 9.939 -5.445 1.00 10.24 H new ATOM 0 HB2 ALA A 101 -1.628 8.169 -5.497 1.00 10.24 H new ATOM 0 HB3 ALA A 101 -0.372 8.905 -4.472 1.00 10.24 H new ATOM 1516 N LEU A 102 2.159 9.866 -5.834 1.00 63.55 N ATOM 1517 CA LEU A 102 3.224 10.851 -5.755 1.00 54.10 C ATOM 1518 C LEU A 102 4.571 10.165 -5.925 1.00 50.12 C ATOM 1519 O LEU A 102 5.155 9.677 -4.960 1.00 13.42 O ATOM 1520 CB LEU A 102 3.205 11.609 -4.417 1.00 31.11 C ATOM 1521 CG LEU A 102 1.943 12.430 -4.118 1.00 72.01 C ATOM 1522 CD1 LEU A 102 0.860 11.566 -3.478 1.00 4.24 C ATOM 1523 CD2 LEU A 102 2.284 13.607 -3.218 1.00 11.40 C ATOM 0 H LEU A 102 2.346 9.006 -5.318 1.00 63.55 H new ATOM 0 HA LEU A 102 3.065 11.574 -6.555 1.00 54.10 H new ATOM 0 HB2 LEU A 102 3.342 10.886 -3.613 1.00 31.11 H new ATOM 0 HB3 LEU A 102 4.064 12.280 -4.392 1.00 31.11 H new ATOM 0 HG LEU A 102 1.553 12.808 -5.063 1.00 72.01 H new ATOM 0 HD11 LEU A 102 -0.021 12.176 -3.278 1.00 4.24 H new ATOM 0 HD12 LEU A 102 0.594 10.755 -4.156 1.00 4.24 H new ATOM 0 HD13 LEU A 102 1.233 11.149 -2.542 1.00 4.24 H new ATOM 0 HD21 LEU A 102 1.381 14.182 -3.013 1.00 11.40 H new ATOM 0 HD22 LEU A 102 2.701 13.239 -2.280 1.00 11.40 H new ATOM 0 HD23 LEU A 102 3.015 14.245 -3.715 1.00 11.40 H new ATOM 1535 N GLU A 103 5.042 10.092 -7.157 1.00 13.11 N ATOM 1536 CA GLU A 103 6.338 9.487 -7.426 1.00 14.34 C ATOM 1537 C GLU A 103 7.461 10.458 -7.093 1.00 73.30 C ATOM 1538 O GLU A 103 7.294 11.675 -7.218 1.00 1.24 O ATOM 1539 CB GLU A 103 6.445 9.041 -8.882 1.00 3.41 C ATOM 1540 CG GLU A 103 6.200 10.154 -9.886 1.00 33.14 C ATOM 1541 CD GLU A 103 6.771 9.831 -11.249 1.00 22.34 C ATOM 1542 OE1 GLU A 103 6.201 8.973 -11.956 1.00 74.53 O ATOM 1543 OE2 GLU A 103 7.809 10.424 -11.612 1.00 2.42 O ATOM 0 H GLU A 103 4.553 10.440 -7.982 1.00 13.11 H new ATOM 0 HA GLU A 103 6.433 8.607 -6.790 1.00 14.34 H new ATOM 0 HB2 GLU A 103 7.438 8.624 -9.052 1.00 3.41 H new ATOM 0 HB3 GLU A 103 5.728 8.240 -9.060 1.00 3.41 H new ATOM 0 HG2 GLU A 103 5.128 10.330 -9.976 1.00 33.14 H new ATOM 0 HG3 GLU A 103 6.645 11.078 -9.517 1.00 33.14 H new ATOM 1550 N HIS A 104 8.595 9.909 -6.670 1.00 12.22 N ATOM 1551 CA HIS A 104 9.747 10.710 -6.263 1.00 3.25 C ATOM 1552 C HIS A 104 9.412 11.514 -5.007 1.00 61.12 C ATOM 1553 O HIS A 104 8.413 11.237 -4.342 1.00 20.04 O ATOM 1554 CB HIS A 104 10.206 11.640 -7.397 1.00 51.24 C ATOM 1555 CG HIS A 104 10.793 10.919 -8.572 1.00 20.14 C ATOM 1556 ND1 HIS A 104 10.090 10.659 -9.732 1.00 53.31 N ATOM 1557 CD2 HIS A 104 12.031 10.408 -8.765 1.00 63.34 C ATOM 1558 CE1 HIS A 104 10.871 10.018 -10.580 1.00 51.14 C ATOM 1559 NE2 HIS A 104 12.054 9.854 -10.021 1.00 31.33 N ATOM 0 H HIS A 104 8.742 8.902 -6.599 1.00 12.22 H new ATOM 0 HA HIS A 104 10.571 10.033 -6.037 1.00 3.25 H new ATOM 0 HB2 HIS A 104 9.356 12.233 -7.734 1.00 51.24 H new ATOM 0 HB3 HIS A 104 10.946 12.338 -7.005 1.00 51.24 H new ATOM 0 HD1 HIS A 104 9.120 10.921 -9.906 1.00 53.31 H new ATOM 0 HD2 HIS A 104 12.850 10.432 -8.061 1.00 63.34 H new ATOM 0 HE1 HIS A 104 10.589 9.683 -11.567 1.00 51.14 H new ATOM 1568 N HIS A 105 10.262 12.490 -4.688 1.00 2.03 N ATOM 1569 CA HIS A 105 10.093 13.339 -3.502 1.00 31.24 C ATOM 1570 C HIS A 105 10.412 12.573 -2.216 1.00 0.21 C ATOM 1571 O HIS A 105 10.442 11.342 -2.196 1.00 1.14 O ATOM 1572 CB HIS A 105 8.673 13.925 -3.412 1.00 73.12 C ATOM 1573 CG HIS A 105 8.379 15.001 -4.415 1.00 4.44 C ATOM 1574 ND1 HIS A 105 7.488 14.842 -5.455 1.00 71.12 N ATOM 1575 CD2 HIS A 105 8.831 16.273 -4.506 1.00 51.21 C ATOM 1576 CE1 HIS A 105 7.410 15.966 -6.140 1.00 4.33 C ATOM 1577 NE2 HIS A 105 8.209 16.857 -5.585 1.00 62.32 N ATOM 0 H HIS A 105 11.088 12.717 -5.242 1.00 2.03 H new ATOM 0 HA HIS A 105 10.800 14.162 -3.609 1.00 31.24 H new ATOM 0 HB2 HIS A 105 7.952 13.118 -3.542 1.00 73.12 H new ATOM 0 HB3 HIS A 105 8.523 14.329 -2.411 1.00 73.12 H new ATOM 0 HD2 HIS A 105 9.549 16.744 -3.851 1.00 51.21 H new ATOM 0 HE1 HIS A 105 6.794 16.130 -7.012 1.00 4.33 H new ATOM 0 HE2 HIS A 105 8.343 17.817 -5.902 1.00 62.32 H new ATOM 1586 N HIS A 106 10.684 13.333 -1.157 1.00 61.21 N ATOM 1587 CA HIS A 106 10.901 12.788 0.187 1.00 43.22 C ATOM 1588 C HIS A 106 12.091 11.817 0.236 1.00 74.23 C ATOM 1589 O HIS A 106 12.170 10.949 1.110 1.00 12.12 O ATOM 1590 CB HIS A 106 9.619 12.109 0.694 1.00 22.14 C ATOM 1591 CG HIS A 106 9.650 11.758 2.154 1.00 65.14 C ATOM 1592 ND1 HIS A 106 9.977 12.666 3.138 1.00 53.13 N ATOM 1593 CD2 HIS A 106 9.405 10.590 2.793 1.00 22.43 C ATOM 1594 CE1 HIS A 106 9.933 12.072 4.316 1.00 41.23 C ATOM 1595 NE2 HIS A 106 9.590 10.814 4.134 1.00 12.12 N ATOM 0 H HIS A 106 10.761 14.349 -1.204 1.00 61.21 H new ATOM 0 HA HIS A 106 11.148 13.621 0.845 1.00 43.22 H new ATOM 0 HB2 HIS A 106 8.772 12.769 0.508 1.00 22.14 H new ATOM 0 HB3 HIS A 106 9.448 11.201 0.116 1.00 22.14 H new ATOM 0 HD2 HIS A 106 9.118 9.656 2.333 1.00 22.43 H new ATOM 0 HE1 HIS A 106 10.143 12.539 5.267 1.00 41.23 H new ATOM 0 HE2 HIS A 106 9.480 10.118 4.871 1.00 12.12 H new ATOM 1604 N HIS A 107 13.041 11.983 -0.671 1.00 11.14 N ATOM 1605 CA HIS A 107 14.247 11.164 -0.652 1.00 70.41 C ATOM 1606 C HIS A 107 15.235 11.683 0.387 1.00 12.21 C ATOM 1607 O HIS A 107 16.333 12.130 0.058 1.00 65.12 O ATOM 1608 CB HIS A 107 14.904 11.107 -2.030 1.00 13.42 C ATOM 1609 CG HIS A 107 14.316 10.065 -2.929 1.00 71.42 C ATOM 1610 ND1 HIS A 107 14.964 8.886 -3.223 1.00 12.32 N ATOM 1611 CD2 HIS A 107 13.140 10.025 -3.602 1.00 40.24 C ATOM 1612 CE1 HIS A 107 14.213 8.164 -4.036 1.00 10.20 C ATOM 1613 NE2 HIS A 107 13.101 8.831 -4.280 1.00 2.23 N ATOM 0 H HIS A 107 13.003 12.670 -1.424 1.00 11.14 H new ATOM 0 HA HIS A 107 13.953 10.151 -0.378 1.00 70.41 H new ATOM 0 HB2 HIS A 107 14.812 12.082 -2.508 1.00 13.42 H new ATOM 0 HB3 HIS A 107 15.969 10.911 -1.908 1.00 13.42 H new ATOM 0 HD2 HIS A 107 12.377 10.789 -3.605 1.00 40.24 H new ATOM 0 HE1 HIS A 107 14.467 7.192 -4.433 1.00 10.20 H new ATOM 0 HE2 HIS A 107 12.337 8.512 -4.875 1.00 2.23 H new ATOM 1622 N HIS A 108 14.825 11.634 1.646 1.00 3.04 N ATOM 1623 CA HIS A 108 15.666 12.073 2.752 1.00 33.22 C ATOM 1624 C HIS A 108 15.679 11.042 3.870 1.00 53.14 C ATOM 1625 O HIS A 108 14.676 10.841 4.554 1.00 1.43 O ATOM 1626 CB HIS A 108 15.197 13.424 3.297 1.00 23.12 C ATOM 1627 CG HIS A 108 15.740 14.600 2.546 1.00 32.31 C ATOM 1628 ND1 HIS A 108 16.643 15.484 3.095 1.00 45.40 N ATOM 1629 CD2 HIS A 108 15.510 15.039 1.284 1.00 61.24 C ATOM 1630 CE1 HIS A 108 16.942 16.412 2.209 1.00 65.24 C ATOM 1631 NE2 HIS A 108 16.270 16.166 1.103 1.00 4.21 N ATOM 0 H HIS A 108 13.907 11.292 1.929 1.00 3.04 H new ATOM 0 HA HIS A 108 16.680 12.185 2.367 1.00 33.22 H new ATOM 0 HB2 HIS A 108 14.108 13.458 3.269 1.00 23.12 H new ATOM 0 HB3 HIS A 108 15.492 13.505 4.343 1.00 23.12 H new ATOM 0 HD2 HIS A 108 14.852 14.586 0.557 1.00 61.24 H new ATOM 0 HE1 HIS A 108 17.623 17.236 2.363 1.00 65.24 H new ATOM 0 HE2 HIS A 108 16.309 16.724 0.250 1.00 4.21 H new ATOM 1640 N HIS A 109 16.810 10.376 4.021 1.00 33.23 N ATOM 1641 CA HIS A 109 17.031 9.439 5.114 1.00 45.43 C ATOM 1642 C HIS A 109 18.476 9.542 5.571 1.00 41.44 C ATOM 1643 O HIS A 109 18.742 10.267 6.548 1.00 36.83 O ATOM 1644 CB HIS A 109 16.716 7.999 4.693 1.00 50.01 C ATOM 1645 CG HIS A 109 15.258 7.659 4.746 1.00 53.32 C ATOM 1646 ND1 HIS A 109 14.601 6.987 3.738 1.00 23.32 N ATOM 1647 CD2 HIS A 109 14.336 7.870 5.716 1.00 2.45 C ATOM 1648 CE1 HIS A 109 13.338 6.808 4.083 1.00 31.54 C ATOM 1649 NE2 HIS A 109 13.151 7.331 5.280 1.00 2.23 N ATOM 1650 OXT HIS A 109 19.351 8.964 4.896 1.00 36.83 O ATOM 0 H HIS A 109 17.605 10.468 3.388 1.00 33.23 H new ATOM 0 HA HIS A 109 16.359 9.697 5.933 1.00 45.43 H new ATOM 0 HB2 HIS A 109 17.080 7.839 3.678 1.00 50.01 H new ATOM 0 HB3 HIS A 109 17.263 7.313 5.340 1.00 50.01 H new ATOM 0 HD2 HIS A 109 14.503 8.370 6.659 1.00 2.45 H new ATOM 0 HE1 HIS A 109 12.585 6.316 3.485 1.00 31.54 H new ATOM 0 HE2 HIS A 109 12.271 7.334 5.796 1.00 2.23 H new TER 1659 HIS A 109