USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 845 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 THR OG1 : rot -24:sc= 0.104 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0364 USER MOD Single : A 11 MET CE :methyl -113:sc= -4.62! (180deg=-9.52!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -147:sc= -0.0633 (180deg=-0.74) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -50:sc= 0.729 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 154:sc= -0.199 (180deg=-0.787) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 31:sc= 0.188 USER MOD Single : A 32 LYS NZ :NH3+ -166:sc=-0.00137 (180deg=-0.105) USER MOD Single : A 34 TYR OH : rot -12:sc= 0.0418 USER MOD Single : A 42 GLN : amide:sc= -0.039 K(o=-0.039,f=-0.9) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.863 USER MOD Single : A 51 SER OG : rot 180:sc= 0.0715 USER MOD Single : A 54 SER OG : rot -92:sc= 0.0139 USER MOD Single : A 55 SER OG : rot 180:sc= -0.582 USER MOD Single : A 59 ASN : amide:sc= -0.0068 X(o=-0.0068,f=-0.0068) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.246 K(o=-0.25,f=-1.7!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -50:sc= 0.749 USER MOD Single : A 67 ASN : amide:sc= -0.0781 K(o=-0.078,f=-2.1!) USER MOD Single : A 78 SER OG : rot 10:sc= 1.19 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 38 N THR A 4 0.808 -8.030 -0.290 1.00 22.43 N ATOM 39 CA THR A 4 1.041 -9.469 -0.283 1.00 34.14 C ATOM 40 C THR A 4 0.673 -10.079 1.065 1.00 1.23 C ATOM 41 O THR A 4 1.246 -11.087 1.479 1.00 74.22 O ATOM 42 CB THR A 4 2.511 -9.802 -0.600 1.00 74.33 C ATOM 43 OG1 THR A 4 3.377 -9.110 0.306 1.00 53.45 O ATOM 44 CG2 THR A 4 2.855 -9.420 -2.032 1.00 0.22 C ATOM 0 HA THR A 4 0.404 -9.896 -1.058 1.00 34.14 H new ATOM 0 HB THR A 4 2.651 -10.877 -0.484 1.00 74.33 H new ATOM 0 HG1 THR A 4 2.917 -8.320 0.659 1.00 53.45 H new ATOM 0 HG21 THR A 4 3.898 -9.664 -2.233 1.00 0.22 H new ATOM 0 HG22 THR A 4 2.214 -9.972 -2.720 1.00 0.22 H new ATOM 0 HG23 THR A 4 2.700 -8.350 -2.170 1.00 0.22 H new ATOM 52 N VAL A 5 -0.286 -9.461 1.747 1.00 34.12 N ATOM 53 CA VAL A 5 -0.732 -9.944 3.049 1.00 61.54 C ATOM 54 C VAL A 5 -2.101 -9.378 3.406 1.00 54.21 C ATOM 55 O VAL A 5 -2.304 -8.163 3.393 1.00 33.14 O ATOM 56 CB VAL A 5 0.270 -9.574 4.158 1.00 22.00 C ATOM 57 CG1 VAL A 5 0.496 -8.070 4.194 1.00 74.22 C ATOM 58 CG2 VAL A 5 -0.218 -10.081 5.507 1.00 43.41 C ATOM 0 H VAL A 5 -0.769 -8.625 1.420 1.00 34.12 H new ATOM 0 HA VAL A 5 -0.799 -11.030 2.978 1.00 61.54 H new ATOM 0 HB VAL A 5 1.223 -10.055 3.938 1.00 22.00 H new ATOM 0 HG11 VAL A 5 1.207 -7.828 4.984 1.00 74.22 H new ATOM 0 HG12 VAL A 5 0.893 -7.739 3.234 1.00 74.22 H new ATOM 0 HG13 VAL A 5 -0.450 -7.565 4.389 1.00 74.22 H new ATOM 0 HG21 VAL A 5 0.502 -9.811 6.279 1.00 43.41 H new ATOM 0 HG22 VAL A 5 -1.183 -9.631 5.737 1.00 43.41 H new ATOM 0 HG23 VAL A 5 -0.323 -11.165 5.472 1.00 43.41 H new ATOM 68 N CYS A 6 -3.037 -10.265 3.724 1.00 15.35 N ATOM 69 CA CYS A 6 -4.389 -9.853 4.086 1.00 75.14 C ATOM 70 C CYS A 6 -4.708 -10.236 5.527 1.00 23.32 C ATOM 71 O CYS A 6 -4.730 -11.417 5.877 1.00 13.23 O ATOM 72 CB CYS A 6 -5.409 -10.489 3.139 1.00 25.21 C ATOM 73 SG CYS A 6 -5.353 -9.842 1.452 1.00 70.13 S ATOM 0 H CYS A 6 -2.885 -11.274 3.739 1.00 15.35 H new ATOM 0 HA CYS A 6 -4.447 -8.768 3.997 1.00 75.14 H new ATOM 0 HB2 CYS A 6 -5.240 -11.565 3.110 1.00 25.21 H new ATOM 0 HB3 CYS A 6 -6.410 -10.335 3.543 1.00 25.21 H new ATOM 0 HG CYS A 6 -6.250 -10.442 0.727 1.00 70.13 H new ATOM 79 N THR A 7 -4.952 -9.230 6.361 1.00 21.45 N ATOM 80 CA THR A 7 -5.266 -9.461 7.766 1.00 62.22 C ATOM 81 C THR A 7 -6.766 -9.632 7.973 1.00 54.31 C ATOM 82 O THR A 7 -7.572 -9.132 7.186 1.00 25.53 O ATOM 83 CB THR A 7 -4.765 -8.304 8.651 1.00 71.31 C ATOM 84 OG1 THR A 7 -4.027 -7.367 7.860 1.00 44.51 O ATOM 85 CG2 THR A 7 -3.888 -8.826 9.779 1.00 65.35 C ATOM 0 H THR A 7 -4.938 -8.247 6.088 1.00 21.45 H new ATOM 0 HA THR A 7 -4.755 -10.379 8.057 1.00 62.22 H new ATOM 0 HB THR A 7 -5.632 -7.807 9.087 1.00 71.31 H new ATOM 0 HG1 THR A 7 -3.713 -6.634 8.429 1.00 44.51 H new ATOM 0 HG21 THR A 7 -3.546 -7.991 10.390 1.00 65.35 H new ATOM 0 HG22 THR A 7 -4.462 -9.517 10.397 1.00 65.35 H new ATOM 0 HG23 THR A 7 -3.026 -9.345 9.359 1.00 65.35 H new ATOM 93 N ILE A 8 -7.136 -10.339 9.036 1.00 43.44 N ATOM 94 CA ILE A 8 -8.540 -10.573 9.346 1.00 15.43 C ATOM 95 C ILE A 8 -8.861 -10.169 10.781 1.00 1.33 C ATOM 96 O ILE A 8 -8.039 -9.558 11.463 1.00 4.32 O ATOM 97 CB ILE A 8 -8.923 -12.051 9.143 1.00 13.52 C ATOM 98 CG1 ILE A 8 -7.675 -12.889 8.861 1.00 71.13 C ATOM 99 CG2 ILE A 8 -9.927 -12.186 8.008 1.00 34.54 C ATOM 100 CD1 ILE A 8 -7.150 -12.734 7.451 1.00 65.42 C ATOM 0 H ILE A 8 -6.482 -10.759 9.697 1.00 43.44 H new ATOM 0 HA ILE A 8 -9.121 -9.958 8.659 1.00 15.43 H new ATOM 0 HB ILE A 8 -9.386 -12.421 10.058 1.00 13.52 H new ATOM 0 HG12 ILE A 8 -6.892 -12.608 9.565 1.00 71.13 H new ATOM 0 HG13 ILE A 8 -7.904 -13.939 9.042 1.00 71.13 H new ATOM 0 HG21 ILE A 8 -10.188 -13.236 7.876 1.00 34.54 H new ATOM 0 HG22 ILE A 8 -10.825 -11.616 8.247 1.00 34.54 H new ATOM 0 HG23 ILE A 8 -9.488 -11.803 7.087 1.00 34.54 H new ATOM 0 HD11 ILE A 8 -6.265 -13.356 7.322 1.00 65.42 H new ATOM 0 HD12 ILE A 8 -7.917 -13.043 6.741 1.00 65.42 H new ATOM 0 HD13 ILE A 8 -6.889 -11.691 7.272 1.00 65.42 H new ATOM 112 N ALA A 9 -10.061 -10.516 11.234 1.00 12.11 N ATOM 113 CA ALA A 9 -10.489 -10.193 12.590 1.00 71.15 C ATOM 114 C ALA A 9 -9.388 -10.497 13.600 1.00 72.01 C ATOM 115 O ALA A 9 -9.055 -9.661 14.439 1.00 3.54 O ATOM 116 CB ALA A 9 -11.756 -10.960 12.940 1.00 41.33 C ATOM 0 H ALA A 9 -10.754 -11.021 10.682 1.00 12.11 H new ATOM 0 HA ALA A 9 -10.701 -9.125 12.633 1.00 71.15 H new ATOM 0 HB1 ALA A 9 -12.064 -10.709 13.955 1.00 41.33 H new ATOM 0 HB2 ALA A 9 -12.549 -10.690 12.243 1.00 41.33 H new ATOM 0 HB3 ALA A 9 -11.563 -12.031 12.873 1.00 41.33 H new ATOM 122 N ASP A 10 -8.828 -11.698 13.514 1.00 60.53 N ATOM 123 CA ASP A 10 -7.764 -12.113 14.421 1.00 42.23 C ATOM 124 C ASP A 10 -6.887 -13.182 13.777 1.00 30.41 C ATOM 125 O ASP A 10 -6.754 -14.288 14.301 1.00 14.11 O ATOM 126 CB ASP A 10 -8.356 -12.640 15.729 1.00 62.03 C ATOM 127 CG ASP A 10 -9.342 -11.671 16.350 1.00 53.21 C ATOM 128 OD1 ASP A 10 -8.895 -10.660 16.930 1.00 42.33 O ATOM 129 OD2 ASP A 10 -10.562 -11.924 16.257 1.00 41.11 O ATOM 0 H ASP A 10 -9.093 -12.402 12.825 1.00 60.53 H new ATOM 0 HA ASP A 10 -7.144 -11.243 14.637 1.00 42.23 H new ATOM 0 HB2 ASP A 10 -8.855 -13.591 15.542 1.00 62.03 H new ATOM 0 HB3 ASP A 10 -7.550 -12.837 16.436 1.00 62.03 H new ATOM 134 N MET A 11 -6.292 -12.845 12.638 1.00 64.43 N ATOM 135 CA MET A 11 -5.427 -13.777 11.923 1.00 74.53 C ATOM 136 C MET A 11 -4.640 -13.060 10.831 1.00 71.33 C ATOM 137 O MET A 11 -4.930 -11.912 10.493 1.00 34.02 O ATOM 138 CB MET A 11 -6.257 -14.908 11.311 1.00 65.30 C ATOM 139 CG MET A 11 -5.517 -16.234 11.240 1.00 63.33 C ATOM 140 SD MET A 11 -6.624 -17.634 10.984 1.00 63.42 S ATOM 141 CE MET A 11 -7.640 -17.536 12.455 1.00 13.52 C ATOM 0 H MET A 11 -6.393 -11.934 12.190 1.00 64.43 H new ATOM 0 HA MET A 11 -4.720 -14.199 12.637 1.00 74.53 H new ATOM 0 HB2 MET A 11 -7.166 -15.039 11.898 1.00 65.30 H new ATOM 0 HB3 MET A 11 -6.565 -14.619 10.306 1.00 65.30 H new ATOM 0 HG2 MET A 11 -4.790 -16.197 10.428 1.00 63.33 H new ATOM 0 HG3 MET A 11 -4.957 -16.383 12.163 1.00 63.33 H new ATOM 0 HE1 MET A 11 -7.447 -18.401 13.089 1.00 13.52 H new ATOM 0 HE2 MET A 11 -7.401 -16.624 13.002 1.00 13.52 H new ATOM 0 HE3 MET A 11 -8.692 -17.523 12.170 1.00 13.52 H new ATOM 151 N THR A 12 -3.641 -13.744 10.281 1.00 73.31 N ATOM 152 CA THR A 12 -2.811 -13.172 9.228 1.00 35.13 C ATOM 153 C THR A 12 -2.684 -14.128 8.048 1.00 53.04 C ATOM 154 O THR A 12 -1.992 -15.143 8.129 1.00 11.22 O ATOM 155 CB THR A 12 -1.403 -12.827 9.748 1.00 14.45 C ATOM 156 OG1 THR A 12 -1.481 -12.359 11.100 1.00 53.24 O ATOM 157 CG2 THR A 12 -0.749 -11.766 8.876 1.00 14.20 C ATOM 0 H THR A 12 -3.387 -14.695 10.548 1.00 73.31 H new ATOM 0 HA THR A 12 -3.303 -12.257 8.899 1.00 35.13 H new ATOM 0 HB THR A 12 -0.795 -13.731 9.711 1.00 14.45 H new ATOM 0 HG1 THR A 12 -0.582 -12.143 11.424 1.00 53.24 H new ATOM 0 HG21 THR A 12 0.244 -11.539 9.263 1.00 14.20 H new ATOM 0 HG22 THR A 12 -0.665 -12.136 7.854 1.00 14.20 H new ATOM 0 HG23 THR A 12 -1.358 -10.862 8.885 1.00 14.20 H new ATOM 165 N VAL A 13 -3.356 -13.797 6.949 1.00 33.34 N ATOM 166 CA VAL A 13 -3.317 -14.626 5.750 1.00 2.04 C ATOM 167 C VAL A 13 -2.285 -14.105 4.756 1.00 32.11 C ATOM 168 O VAL A 13 -2.158 -12.897 4.554 1.00 64.43 O ATOM 169 CB VAL A 13 -4.694 -14.683 5.062 1.00 24.53 C ATOM 170 CG1 VAL A 13 -4.611 -15.477 3.767 1.00 22.23 C ATOM 171 CG2 VAL A 13 -5.732 -15.282 5.999 1.00 72.23 C ATOM 0 H VAL A 13 -3.934 -12.961 6.865 1.00 33.34 H new ATOM 0 HA VAL A 13 -3.037 -15.630 6.068 1.00 2.04 H new ATOM 0 HB VAL A 13 -5.002 -13.666 4.817 1.00 24.53 H new ATOM 0 HG11 VAL A 13 -5.593 -15.507 3.295 1.00 22.23 H new ATOM 0 HG12 VAL A 13 -3.899 -15.001 3.093 1.00 22.23 H new ATOM 0 HG13 VAL A 13 -4.282 -16.493 3.984 1.00 22.23 H new ATOM 0 HG21 VAL A 13 -6.699 -15.315 5.497 1.00 72.23 H new ATOM 0 HG22 VAL A 13 -5.432 -16.293 6.276 1.00 72.23 H new ATOM 0 HG23 VAL A 13 -5.810 -14.668 6.896 1.00 72.23 H new ATOM 181 N ASP A 14 -1.551 -15.024 4.138 1.00 55.43 N ATOM 182 CA ASP A 14 -0.531 -14.658 3.162 1.00 11.42 C ATOM 183 C ASP A 14 -0.903 -15.163 1.772 1.00 64.14 C ATOM 184 O ASP A 14 -1.115 -16.359 1.572 1.00 53.54 O ATOM 185 CB ASP A 14 0.828 -15.223 3.578 1.00 41.34 C ATOM 186 CG ASP A 14 1.900 -14.154 3.655 1.00 2.34 C ATOM 187 OD1 ASP A 14 1.939 -13.286 2.758 1.00 33.22 O ATOM 188 OD2 ASP A 14 2.701 -14.185 4.613 1.00 25.01 O ATOM 0 H ASP A 14 -1.643 -16.028 4.296 1.00 55.43 H new ATOM 0 HA ASP A 14 -0.468 -13.570 3.128 1.00 11.42 H new ATOM 0 HB2 ASP A 14 0.734 -15.710 4.549 1.00 41.34 H new ATOM 0 HB3 ASP A 14 1.133 -15.989 2.865 1.00 41.34 H new ATOM 193 N MET A 15 -0.980 -14.244 0.815 1.00 65.24 N ATOM 194 CA MET A 15 -1.325 -14.597 -0.557 1.00 74.44 C ATOM 195 C MET A 15 -0.096 -15.078 -1.322 1.00 3.15 C ATOM 196 O MET A 15 -0.211 -15.658 -2.401 1.00 41.34 O ATOM 197 CB MET A 15 -1.949 -13.398 -1.274 1.00 1.02 C ATOM 198 CG MET A 15 -0.941 -12.324 -1.650 1.00 13.44 C ATOM 199 SD MET A 15 -1.688 -10.962 -2.566 1.00 5.43 S ATOM 200 CE MET A 15 -0.540 -10.803 -3.932 1.00 23.24 C ATOM 0 H MET A 15 -0.808 -13.250 0.964 1.00 65.24 H new ATOM 0 HA MET A 15 -2.051 -15.410 -0.524 1.00 74.44 H new ATOM 0 HB2 MET A 15 -2.451 -13.746 -2.177 1.00 1.02 H new ATOM 0 HB3 MET A 15 -2.714 -12.959 -0.633 1.00 1.02 H new ATOM 0 HG2 MET A 15 -0.475 -11.936 -0.745 1.00 13.44 H new ATOM 0 HG3 MET A 15 -0.148 -12.769 -2.251 1.00 13.44 H new ATOM 0 HE1 MET A 15 -0.474 -9.757 -4.232 1.00 23.24 H new ATOM 0 HE2 MET A 15 0.444 -11.155 -3.623 1.00 23.24 H new ATOM 0 HE3 MET A 15 -0.891 -11.400 -4.774 1.00 23.24 H new ATOM 210 N VAL A 16 1.081 -14.833 -0.754 1.00 42.03 N ATOM 211 CA VAL A 16 2.332 -15.241 -1.382 1.00 22.51 C ATOM 212 C VAL A 16 2.932 -16.452 -0.676 1.00 33.34 C ATOM 213 O VAL A 16 3.578 -17.292 -1.302 1.00 73.32 O ATOM 214 CB VAL A 16 3.362 -14.096 -1.378 1.00 24.43 C ATOM 215 CG1 VAL A 16 2.930 -12.985 -2.322 1.00 34.21 C ATOM 216 CG2 VAL A 16 3.559 -13.562 0.033 1.00 71.30 C ATOM 0 H VAL A 16 1.194 -14.354 0.140 1.00 42.03 H new ATOM 0 HA VAL A 16 2.097 -15.505 -2.413 1.00 22.51 H new ATOM 0 HB VAL A 16 4.316 -14.488 -1.730 1.00 24.43 H new ATOM 0 HG11 VAL A 16 3.670 -12.185 -2.305 1.00 34.21 H new ATOM 0 HG12 VAL A 16 2.845 -13.380 -3.334 1.00 34.21 H new ATOM 0 HG13 VAL A 16 1.964 -12.592 -2.004 1.00 34.21 H new ATOM 0 HG21 VAL A 16 4.290 -12.754 0.017 1.00 71.30 H new ATOM 0 HG22 VAL A 16 2.610 -13.186 0.415 1.00 71.30 H new ATOM 0 HG23 VAL A 16 3.918 -14.363 0.678 1.00 71.30 H new ATOM 226 N ARG A 17 2.713 -16.536 0.633 1.00 53.34 N ATOM 227 CA ARG A 17 3.232 -17.644 1.425 1.00 51.11 C ATOM 228 C ARG A 17 2.151 -18.695 1.664 1.00 45.50 C ATOM 229 O ARG A 17 2.449 -19.836 2.015 1.00 30.34 O ATOM 230 CB ARG A 17 3.768 -17.134 2.764 1.00 32.11 C ATOM 231 CG ARG A 17 4.871 -16.098 2.624 1.00 52.20 C ATOM 232 CD ARG A 17 5.878 -16.200 3.758 1.00 3.34 C ATOM 233 NE ARG A 17 6.890 -15.149 3.688 1.00 41.21 N ATOM 234 CZ ARG A 17 7.636 -14.776 4.722 1.00 20.40 C ATOM 235 NH1 ARG A 17 7.485 -15.367 5.900 1.00 53.44 N ATOM 236 NH2 ARG A 17 8.536 -13.812 4.579 1.00 1.12 N ATOM 0 H ARG A 17 2.180 -15.850 1.167 1.00 53.34 H new ATOM 0 HA ARG A 17 4.047 -18.106 0.868 1.00 51.11 H new ATOM 0 HB2 ARG A 17 2.946 -16.702 3.334 1.00 32.11 H new ATOM 0 HB3 ARG A 17 4.146 -17.979 3.340 1.00 32.11 H new ATOM 0 HG2 ARG A 17 5.381 -16.234 1.670 1.00 52.20 H new ATOM 0 HG3 ARG A 17 4.434 -15.099 2.612 1.00 52.20 H new ATOM 0 HD2 ARG A 17 5.356 -16.138 4.713 1.00 3.34 H new ATOM 0 HD3 ARG A 17 6.365 -17.175 3.724 1.00 3.34 H new ATOM 0 HE ARG A 17 7.032 -14.675 2.796 1.00 41.21 H new ATOM 0 HH11 ARG A 17 6.795 -16.110 6.013 1.00 53.44 H new ATOM 0 HH12 ARG A 17 8.059 -15.079 6.692 1.00 53.44 H new ATOM 0 HH21 ARG A 17 8.656 -13.356 3.674 1.00 1.12 H new ATOM 0 HH22 ARG A 17 9.108 -13.526 5.374 1.00 1.12 H new ATOM 250 N ARG A 18 0.897 -18.300 1.471 1.00 20.25 N ATOM 251 CA ARG A 18 -0.228 -19.207 1.668 1.00 44.12 C ATOM 252 C ARG A 18 -0.220 -19.785 3.080 1.00 0.30 C ATOM 253 O ARG A 18 -0.295 -21.000 3.266 1.00 4.24 O ATOM 254 CB ARG A 18 -0.182 -20.340 0.641 1.00 25.33 C ATOM 255 CG ARG A 18 -0.737 -19.952 -0.719 1.00 64.55 C ATOM 256 CD ARG A 18 0.271 -19.144 -1.522 1.00 15.51 C ATOM 257 NE ARG A 18 0.031 -19.243 -2.959 1.00 44.42 N ATOM 258 CZ ARG A 18 0.885 -18.805 -3.878 1.00 61.11 C ATOM 259 NH1 ARG A 18 2.028 -18.242 -3.511 1.00 60.04 N ATOM 260 NH2 ARG A 18 0.596 -18.931 -5.167 1.00 43.01 N ATOM 0 H ARG A 18 0.634 -17.359 1.179 1.00 20.25 H new ATOM 0 HA ARG A 18 -1.149 -18.639 1.532 1.00 44.12 H new ATOM 0 HB2 ARG A 18 0.850 -20.670 0.522 1.00 25.33 H new ATOM 0 HB3 ARG A 18 -0.746 -21.190 1.025 1.00 25.33 H new ATOM 0 HG2 ARG A 18 -1.008 -20.851 -1.273 1.00 64.55 H new ATOM 0 HG3 ARG A 18 -1.650 -19.371 -0.588 1.00 64.55 H new ATOM 0 HD2 ARG A 18 0.223 -18.099 -1.218 1.00 15.51 H new ATOM 0 HD3 ARG A 18 1.278 -19.495 -1.298 1.00 15.51 H new ATOM 0 HE ARG A 18 -0.839 -19.672 -3.274 1.00 44.42 H new ATOM 0 HH11 ARG A 18 2.254 -18.144 -2.521 1.00 60.04 H new ATOM 0 HH12 ARG A 18 2.682 -17.907 -4.219 1.00 60.04 H new ATOM 0 HH21 ARG A 18 -0.282 -19.364 -5.453 1.00 43.01 H new ATOM 0 HH22 ARG A 18 1.252 -18.595 -5.872 1.00 43.01 H new ATOM 274 N THR A 19 -0.129 -18.906 4.073 1.00 3.42 N ATOM 275 CA THR A 19 -0.110 -19.328 5.468 1.00 5.40 C ATOM 276 C THR A 19 -1.157 -18.579 6.283 1.00 14.35 C ATOM 277 O THR A 19 -1.758 -17.616 5.806 1.00 34.04 O ATOM 278 CB THR A 19 1.276 -19.104 6.104 1.00 54.43 C ATOM 279 OG1 THR A 19 1.454 -17.717 6.414 1.00 33.22 O ATOM 280 CG2 THR A 19 2.382 -19.565 5.167 1.00 72.00 C ATOM 0 H THR A 19 -0.067 -17.897 3.937 1.00 3.42 H new ATOM 0 HA THR A 19 -0.339 -20.394 5.479 1.00 5.40 H new ATOM 0 HB THR A 19 1.330 -19.691 7.021 1.00 54.43 H new ATOM 0 HG1 THR A 19 2.336 -17.583 6.819 1.00 33.22 H new ATOM 0 HG21 THR A 19 3.351 -19.397 5.637 1.00 72.00 H new ATOM 0 HG22 THR A 19 2.261 -20.627 4.956 1.00 72.00 H new ATOM 0 HG23 THR A 19 2.328 -19.001 4.236 1.00 72.00 H new ATOM 288 N VAL A 20 -1.372 -19.026 7.517 1.00 63.12 N ATOM 289 CA VAL A 20 -2.346 -18.397 8.400 1.00 53.32 C ATOM 290 C VAL A 20 -1.825 -18.324 9.831 1.00 73.43 C ATOM 291 O VAL A 20 -1.641 -19.350 10.487 1.00 15.34 O ATOM 292 CB VAL A 20 -3.686 -19.157 8.391 1.00 64.35 C ATOM 293 CG1 VAL A 20 -4.516 -18.762 7.179 1.00 61.11 C ATOM 294 CG2 VAL A 20 -3.445 -20.659 8.415 1.00 30.14 C ATOM 0 H VAL A 20 -0.884 -19.822 7.927 1.00 63.12 H new ATOM 0 HA VAL A 20 -2.507 -17.387 8.024 1.00 53.32 H new ATOM 0 HB VAL A 20 -4.244 -18.886 9.287 1.00 64.35 H new ATOM 0 HG11 VAL A 20 -5.459 -19.309 7.190 1.00 61.11 H new ATOM 0 HG12 VAL A 20 -4.717 -17.691 7.209 1.00 61.11 H new ATOM 0 HG13 VAL A 20 -3.967 -19.002 6.268 1.00 61.11 H new ATOM 0 HG21 VAL A 20 -4.402 -21.181 8.408 1.00 30.14 H new ATOM 0 HG22 VAL A 20 -2.867 -20.949 7.537 1.00 30.14 H new ATOM 0 HG23 VAL A 20 -2.893 -20.925 9.317 1.00 30.14 H new ATOM 304 N ILE A 21 -1.590 -17.107 10.308 1.00 43.01 N ATOM 305 CA ILE A 21 -1.091 -16.901 11.662 1.00 33.11 C ATOM 306 C ILE A 21 -2.199 -16.405 12.586 1.00 64.21 C ATOM 307 O ILE A 21 -2.817 -15.371 12.332 1.00 64.34 O ATOM 308 CB ILE A 21 0.072 -15.892 11.686 1.00 23.44 C ATOM 309 CG1 ILE A 21 1.298 -16.478 10.982 1.00 1.43 C ATOM 310 CG2 ILE A 21 0.411 -15.509 13.119 1.00 14.42 C ATOM 311 CD1 ILE A 21 1.235 -16.375 9.474 1.00 21.24 C ATOM 0 H ILE A 21 -1.737 -16.248 9.777 1.00 43.01 H new ATOM 0 HA ILE A 21 -0.730 -17.867 12.016 1.00 33.11 H new ATOM 0 HB ILE A 21 -0.235 -14.992 11.153 1.00 23.44 H new ATOM 0 HG12 ILE A 21 2.191 -15.963 11.336 1.00 1.43 H new ATOM 0 HG13 ILE A 21 1.402 -17.526 11.263 1.00 1.43 H new ATOM 0 HG21 ILE A 21 1.235 -14.795 13.120 1.00 14.42 H new ATOM 0 HG22 ILE A 21 -0.461 -15.057 13.591 1.00 14.42 H new ATOM 0 HG23 ILE A 21 0.703 -16.400 13.675 1.00 14.42 H new ATOM 0 HD11 ILE A 21 2.136 -16.810 9.042 1.00 21.24 H new ATOM 0 HD12 ILE A 21 0.361 -16.914 9.109 1.00 21.24 H new ATOM 0 HD13 ILE A 21 1.162 -15.327 9.184 1.00 21.24 H new ATOM 323 N ARG A 22 -2.443 -17.149 13.660 1.00 4.31 N ATOM 324 CA ARG A 22 -3.475 -16.784 14.623 1.00 70.51 C ATOM 325 C ARG A 22 -2.871 -16.047 15.815 1.00 73.14 C ATOM 326 O ARG A 22 -2.273 -16.660 16.698 1.00 21.24 O ATOM 327 CB ARG A 22 -4.217 -18.033 15.104 1.00 4.14 C ATOM 328 CG ARG A 22 -5.291 -17.742 16.139 1.00 10.23 C ATOM 329 CD ARG A 22 -6.593 -17.307 15.484 1.00 64.21 C ATOM 330 NE ARG A 22 -7.581 -16.871 16.466 1.00 11.34 N ATOM 331 CZ ARG A 22 -7.470 -15.751 17.173 1.00 73.31 C ATOM 332 NH1 ARG A 22 -6.420 -14.959 17.006 1.00 72.30 N ATOM 333 NH2 ARG A 22 -8.412 -15.422 18.048 1.00 3.21 N ATOM 0 H ARG A 22 -1.940 -18.008 13.885 1.00 4.31 H new ATOM 0 HA ARG A 22 -4.181 -16.118 14.127 1.00 70.51 H new ATOM 0 HB2 ARG A 22 -4.675 -18.526 14.246 1.00 4.14 H new ATOM 0 HB3 ARG A 22 -3.497 -18.733 15.527 1.00 4.14 H new ATOM 0 HG2 ARG A 22 -5.466 -18.632 16.743 1.00 10.23 H new ATOM 0 HG3 ARG A 22 -4.944 -16.961 16.815 1.00 10.23 H new ATOM 0 HD2 ARG A 22 -6.393 -16.494 14.785 1.00 64.21 H new ATOM 0 HD3 ARG A 22 -7.000 -18.134 14.903 1.00 64.21 H new ATOM 0 HE ARG A 22 -8.401 -17.458 16.618 1.00 11.34 H new ATOM 0 HH11 ARG A 22 -5.695 -15.209 16.334 1.00 72.30 H new ATOM 0 HH12 ARG A 22 -6.337 -14.100 17.550 1.00 72.30 H new ATOM 0 HH21 ARG A 22 -9.222 -16.029 18.178 1.00 3.21 H new ATOM 0 HH22 ARG A 22 -8.326 -14.562 18.590 1.00 3.21 H new ATOM 347 N SER A 23 -3.032 -14.728 15.831 1.00 53.31 N ATOM 348 CA SER A 23 -2.500 -13.906 16.911 1.00 25.04 C ATOM 349 C SER A 23 -1.020 -14.201 17.139 1.00 31.05 C ATOM 350 O SER A 23 -0.518 -14.088 18.257 1.00 72.40 O ATOM 351 CB SER A 23 -3.285 -14.151 18.201 1.00 2.44 C ATOM 352 OG SER A 23 -2.882 -13.254 19.222 1.00 44.33 O ATOM 0 H SER A 23 -3.527 -14.206 15.108 1.00 53.31 H new ATOM 0 HA SER A 23 -2.605 -12.860 16.624 1.00 25.04 H new ATOM 0 HB2 SER A 23 -4.352 -14.033 18.009 1.00 2.44 H new ATOM 0 HB3 SER A 23 -3.133 -15.178 18.534 1.00 2.44 H new ATOM 0 HG SER A 23 -1.905 -13.267 19.302 1.00 44.33 H new ATOM 358 N GLY A 24 -0.327 -14.580 16.070 1.00 22.00 N ATOM 359 CA GLY A 24 1.088 -14.886 16.173 1.00 0.14 C ATOM 360 C GLY A 24 1.351 -16.372 16.314 1.00 21.04 C ATOM 361 O GLY A 24 2.456 -16.784 16.669 1.00 71.11 O ATOM 0 H GLY A 24 -0.720 -14.681 15.134 1.00 22.00 H new ATOM 0 HA2 GLY A 24 1.603 -14.511 15.288 1.00 0.14 H new ATOM 0 HA3 GLY A 24 1.508 -14.363 17.032 1.00 0.14 H new ATOM 365 N LYS A 25 0.333 -17.180 16.038 1.00 23.31 N ATOM 366 CA LYS A 25 0.458 -18.630 16.136 1.00 3.31 C ATOM 367 C LYS A 25 -0.102 -19.309 14.891 1.00 72.50 C ATOM 368 O LYS A 25 -1.317 -19.421 14.725 1.00 11.12 O ATOM 369 CB LYS A 25 -0.270 -19.142 17.381 1.00 4.11 C ATOM 370 CG LYS A 25 0.290 -18.592 18.682 1.00 72.41 C ATOM 371 CD LYS A 25 -0.429 -17.322 19.106 1.00 61.54 C ATOM 372 CE LYS A 25 -0.029 -16.898 20.510 1.00 3.22 C ATOM 373 NZ LYS A 25 -0.829 -17.600 21.551 1.00 22.43 N ATOM 0 H LYS A 25 -0.588 -16.855 15.745 1.00 23.31 H new ATOM 0 HA LYS A 25 1.517 -18.874 16.216 1.00 3.31 H new ATOM 0 HB2 LYS A 25 -1.325 -18.878 17.309 1.00 4.11 H new ATOM 0 HB3 LYS A 25 -0.214 -20.230 17.402 1.00 4.11 H new ATOM 0 HG2 LYS A 25 0.196 -19.343 19.466 1.00 72.41 H new ATOM 0 HG3 LYS A 25 1.354 -18.387 18.563 1.00 72.41 H new ATOM 0 HD2 LYS A 25 -0.199 -16.521 18.404 1.00 61.54 H new ATOM 0 HD3 LYS A 25 -1.506 -17.482 19.066 1.00 61.54 H new ATOM 0 HE2 LYS A 25 1.030 -17.106 20.664 1.00 3.22 H new ATOM 0 HE3 LYS A 25 -0.161 -15.821 20.616 1.00 3.22 H new ATOM 0 HZ1 LYS A 25 -0.526 -17.283 22.494 1.00 22.43 H new ATOM 0 HZ2 LYS A 25 -1.837 -17.382 21.420 1.00 22.43 H new ATOM 0 HZ3 LYS A 25 -0.683 -18.626 21.467 1.00 22.43 H new ATOM 387 N LYS A 26 0.791 -19.764 14.018 1.00 34.01 N ATOM 388 CA LYS A 26 0.386 -20.436 12.789 1.00 42.11 C ATOM 389 C LYS A 26 -0.409 -21.701 13.096 1.00 12.44 C ATOM 390 O LYS A 26 -0.024 -22.494 13.956 1.00 2.50 O ATOM 391 CB LYS A 26 1.615 -20.786 11.947 1.00 41.34 C ATOM 392 CG LYS A 26 1.277 -21.454 10.625 1.00 34.23 C ATOM 393 CD LYS A 26 1.615 -20.559 9.445 1.00 72.32 C ATOM 394 CE LYS A 26 3.100 -20.602 9.121 1.00 62.15 C ATOM 395 NZ LYS A 26 3.553 -21.978 8.777 1.00 65.32 N ATOM 0 H LYS A 26 1.800 -19.679 14.139 1.00 34.01 H new ATOM 0 HA LYS A 26 -0.252 -19.755 12.226 1.00 42.11 H new ATOM 0 HB2 LYS A 26 2.181 -19.876 11.750 1.00 41.34 H new ATOM 0 HB3 LYS A 26 2.263 -21.446 12.523 1.00 41.34 H new ATOM 0 HG2 LYS A 26 1.825 -22.392 10.540 1.00 34.23 H new ATOM 0 HG3 LYS A 26 0.216 -21.702 10.602 1.00 34.23 H new ATOM 0 HD2 LYS A 26 1.042 -20.873 8.573 1.00 72.32 H new ATOM 0 HD3 LYS A 26 1.320 -19.534 9.668 1.00 72.32 H new ATOM 0 HE2 LYS A 26 3.309 -19.932 8.287 1.00 62.15 H new ATOM 0 HE3 LYS A 26 3.669 -20.235 9.975 1.00 62.15 H new ATOM 0 HZ1 LYS A 26 4.390 -21.924 8.162 1.00 65.32 H new ATOM 0 HZ2 LYS A 26 3.796 -22.492 9.648 1.00 65.32 H new ATOM 0 HZ3 LYS A 26 2.790 -22.481 8.280 1.00 65.32 H new ATOM 409 N ILE A 27 -1.519 -21.883 12.388 1.00 3.04 N ATOM 410 CA ILE A 27 -2.366 -23.053 12.585 1.00 42.23 C ATOM 411 C ILE A 27 -1.764 -24.285 11.919 1.00 61.52 C ATOM 412 O ILE A 27 -1.179 -24.198 10.839 1.00 51.34 O ATOM 413 CB ILE A 27 -3.783 -22.822 12.027 1.00 44.14 C ATOM 414 CG1 ILE A 27 -4.438 -21.625 12.718 1.00 11.13 C ATOM 415 CG2 ILE A 27 -4.631 -24.072 12.202 1.00 33.34 C ATOM 416 CD1 ILE A 27 -4.675 -21.837 14.197 1.00 4.33 C ATOM 0 H ILE A 27 -1.852 -21.236 11.674 1.00 3.04 H new ATOM 0 HA ILE A 27 -2.430 -23.219 13.660 1.00 42.23 H new ATOM 0 HB ILE A 27 -3.707 -22.605 10.962 1.00 44.14 H new ATOM 0 HG12 ILE A 27 -3.807 -20.747 12.582 1.00 11.13 H new ATOM 0 HG13 ILE A 27 -5.390 -21.412 12.232 1.00 11.13 H new ATOM 0 HG21 ILE A 27 -5.629 -23.893 11.803 1.00 33.34 H new ATOM 0 HG22 ILE A 27 -4.170 -24.902 11.667 1.00 33.34 H new ATOM 0 HG23 ILE A 27 -4.702 -24.318 13.262 1.00 33.34 H new ATOM 0 HD11 ILE A 27 -5.142 -20.948 14.622 1.00 4.33 H new ATOM 0 HD12 ILE A 27 -5.331 -22.695 14.341 1.00 4.33 H new ATOM 0 HD13 ILE A 27 -3.723 -22.020 14.695 1.00 4.33 H new ATOM 428 N HIS A 28 -1.912 -25.435 12.570 1.00 54.04 N ATOM 429 CA HIS A 28 -1.385 -26.687 12.039 1.00 34.43 C ATOM 430 C HIS A 28 -2.517 -27.602 11.580 1.00 51.33 C ATOM 431 O HIS A 28 -3.497 -27.803 12.298 1.00 32.11 O ATOM 432 CB HIS A 28 -0.538 -27.397 13.096 1.00 52.20 C ATOM 433 CG HIS A 28 0.845 -26.838 13.228 1.00 23.43 C ATOM 434 ND1 HIS A 28 1.242 -26.053 14.290 1.00 34.33 N ATOM 435 CD2 HIS A 28 1.928 -26.957 12.425 1.00 3.11 C ATOM 436 CE1 HIS A 28 2.508 -25.711 14.134 1.00 60.52 C ATOM 437 NE2 HIS A 28 2.948 -26.247 13.010 1.00 64.52 N ATOM 0 H HIS A 28 -2.392 -25.525 13.465 1.00 54.04 H new ATOM 0 HA HIS A 28 -0.759 -26.453 11.178 1.00 34.43 H new ATOM 0 HB2 HIS A 28 -1.042 -27.329 14.060 1.00 52.20 H new ATOM 0 HB3 HIS A 28 -0.471 -28.456 12.845 1.00 52.20 H new ATOM 0 HD2 HIS A 28 1.980 -27.508 11.497 1.00 3.11 H new ATOM 0 HE1 HIS A 28 3.085 -25.098 14.810 1.00 60.52 H new ATOM 0 HE2 HIS A 28 3.892 -26.150 12.637 1.00 64.52 H new ATOM 445 N LEU A 29 -2.376 -28.152 10.379 1.00 63.11 N ATOM 446 CA LEU A 29 -3.387 -29.045 9.823 1.00 44.23 C ATOM 447 C LEU A 29 -2.745 -30.113 8.943 1.00 21.11 C ATOM 448 O LEU A 29 -1.523 -30.266 8.923 1.00 0.52 O ATOM 449 CB LEU A 29 -4.409 -28.247 9.012 1.00 73.11 C ATOM 450 CG LEU A 29 -5.013 -27.027 9.708 1.00 35.11 C ATOM 451 CD1 LEU A 29 -5.733 -26.141 8.703 1.00 34.23 C ATOM 452 CD2 LEU A 29 -5.963 -27.461 10.816 1.00 45.32 C ATOM 0 H LEU A 29 -1.572 -27.995 9.772 1.00 63.11 H new ATOM 0 HA LEU A 29 -3.895 -29.540 10.651 1.00 44.23 H new ATOM 0 HB2 LEU A 29 -3.932 -27.915 8.090 1.00 73.11 H new ATOM 0 HB3 LEU A 29 -5.220 -28.917 8.728 1.00 73.11 H new ATOM 0 HG LEU A 29 -4.204 -26.450 10.156 1.00 35.11 H new ATOM 0 HD11 LEU A 29 -6.156 -25.278 9.217 1.00 34.23 H new ATOM 0 HD12 LEU A 29 -5.027 -25.802 7.945 1.00 34.23 H new ATOM 0 HD13 LEU A 29 -6.533 -26.707 8.226 1.00 34.23 H new ATOM 0 HD21 LEU A 29 -6.384 -26.580 11.301 1.00 45.32 H new ATOM 0 HD22 LEU A 29 -6.768 -28.060 10.391 1.00 45.32 H new ATOM 0 HD23 LEU A 29 -5.418 -28.054 11.551 1.00 45.32 H new ATOM 464 N THR A 30 -3.577 -30.850 8.214 1.00 60.31 N ATOM 465 CA THR A 30 -3.092 -31.903 7.331 1.00 25.52 C ATOM 466 C THR A 30 -3.075 -31.440 5.879 1.00 2.42 C ATOM 467 O THR A 30 -3.322 -30.270 5.588 1.00 34.30 O ATOM 468 CB THR A 30 -3.957 -33.173 7.443 1.00 65.13 C ATOM 469 OG1 THR A 30 -3.282 -34.281 6.835 1.00 2.54 O ATOM 470 CG2 THR A 30 -5.308 -32.968 6.775 1.00 43.24 C ATOM 0 H THR A 30 -4.591 -30.737 8.218 1.00 60.31 H new ATOM 0 HA THR A 30 -2.075 -32.136 7.647 1.00 25.52 H new ATOM 0 HB THR A 30 -4.120 -33.383 8.500 1.00 65.13 H new ATOM 0 HG1 THR A 30 -2.313 -34.165 6.928 1.00 2.54 H new ATOM 0 HG21 THR A 30 -5.901 -33.878 6.867 1.00 43.24 H new ATOM 0 HG22 THR A 30 -5.832 -32.143 7.258 1.00 43.24 H new ATOM 0 HG23 THR A 30 -5.161 -32.736 5.720 1.00 43.24 H new ATOM 478 N GLY A 31 -2.782 -32.365 4.970 1.00 3.23 N ATOM 479 CA GLY A 31 -2.739 -32.031 3.559 1.00 41.33 C ATOM 480 C GLY A 31 -4.093 -31.615 3.020 1.00 34.10 C ATOM 481 O GLY A 31 -4.230 -30.552 2.414 1.00 2.02 O ATOM 0 H GLY A 31 -2.574 -33.340 5.186 1.00 3.23 H new ATOM 0 HA2 GLY A 31 -2.025 -31.223 3.402 1.00 41.33 H new ATOM 0 HA3 GLY A 31 -2.376 -32.891 2.996 1.00 41.33 H new ATOM 485 N LYS A 32 -5.099 -32.456 3.239 1.00 42.21 N ATOM 486 CA LYS A 32 -6.450 -32.172 2.771 1.00 12.41 C ATOM 487 C LYS A 32 -6.943 -30.833 3.312 1.00 43.15 C ATOM 488 O LYS A 32 -7.370 -29.966 2.550 1.00 33.11 O ATOM 489 CB LYS A 32 -7.405 -33.289 3.198 1.00 13.51 C ATOM 490 CG LYS A 32 -7.019 -34.657 2.664 1.00 5.20 C ATOM 491 CD LYS A 32 -7.867 -35.756 3.281 1.00 60.35 C ATOM 492 CE LYS A 32 -7.317 -36.194 4.630 1.00 75.25 C ATOM 493 NZ LYS A 32 -6.077 -37.005 4.486 1.00 21.42 N ATOM 0 H LYS A 32 -5.003 -33.340 3.738 1.00 42.21 H new ATOM 0 HA LYS A 32 -6.427 -32.118 1.683 1.00 12.41 H new ATOM 0 HB2 LYS A 32 -7.439 -33.330 4.287 1.00 13.51 H new ATOM 0 HB3 LYS A 32 -8.411 -33.046 2.856 1.00 13.51 H new ATOM 0 HG2 LYS A 32 -7.135 -34.672 1.580 1.00 5.20 H new ATOM 0 HG3 LYS A 32 -5.966 -34.847 2.874 1.00 5.20 H new ATOM 0 HD2 LYS A 32 -8.891 -35.402 3.402 1.00 60.35 H new ATOM 0 HD3 LYS A 32 -7.903 -36.611 2.606 1.00 60.35 H new ATOM 0 HE2 LYS A 32 -7.107 -35.315 5.240 1.00 75.25 H new ATOM 0 HE3 LYS A 32 -8.072 -36.776 5.159 1.00 75.25 H new ATOM 0 HZ1 LYS A 32 -5.866 -37.479 5.387 1.00 21.42 H new ATOM 0 HZ2 LYS A 32 -6.214 -37.719 3.743 1.00 21.42 H new ATOM 0 HZ3 LYS A 32 -5.284 -36.384 4.227 1.00 21.42 H new ATOM 507 N GLU A 33 -6.878 -30.672 4.630 1.00 41.25 N ATOM 508 CA GLU A 33 -7.317 -29.438 5.270 1.00 11.31 C ATOM 509 C GLU A 33 -6.520 -28.243 4.754 1.00 72.24 C ATOM 510 O GLU A 33 -7.063 -27.153 4.573 1.00 5.40 O ATOM 511 CB GLU A 33 -7.169 -29.545 6.789 1.00 13.13 C ATOM 512 CG GLU A 33 -7.988 -30.669 7.403 1.00 44.43 C ATOM 513 CD GLU A 33 -9.364 -30.795 6.780 1.00 72.05 C ATOM 514 OE1 GLU A 33 -10.011 -29.752 6.552 1.00 15.34 O ATOM 515 OE2 GLU A 33 -9.794 -31.938 6.519 1.00 61.43 O ATOM 0 H GLU A 33 -6.526 -31.380 5.274 1.00 41.25 H new ATOM 0 HA GLU A 33 -8.368 -29.286 5.024 1.00 11.31 H new ATOM 0 HB2 GLU A 33 -6.118 -29.698 7.033 1.00 13.13 H new ATOM 0 HB3 GLU A 33 -7.468 -28.600 7.242 1.00 13.13 H new ATOM 0 HG2 GLU A 33 -7.452 -31.611 7.285 1.00 44.43 H new ATOM 0 HG3 GLU A 33 -8.093 -30.494 8.474 1.00 44.43 H new ATOM 522 N TYR A 34 -5.231 -28.457 4.519 1.00 65.25 N ATOM 523 CA TYR A 34 -4.357 -27.398 4.026 1.00 75.41 C ATOM 524 C TYR A 34 -4.716 -27.020 2.592 1.00 0.41 C ATOM 525 O TYR A 34 -4.531 -25.876 2.175 1.00 75.21 O ATOM 526 CB TYR A 34 -2.895 -27.840 4.098 1.00 43.11 C ATOM 527 CG TYR A 34 -1.922 -26.795 3.601 1.00 4.20 C ATOM 528 CD1 TYR A 34 -1.959 -25.494 4.088 1.00 34.32 C ATOM 529 CD2 TYR A 34 -0.963 -27.109 2.645 1.00 54.42 C ATOM 530 CE1 TYR A 34 -1.073 -24.536 3.636 1.00 23.24 C ATOM 531 CE2 TYR A 34 -0.072 -26.157 2.188 1.00 23.32 C ATOM 532 CZ TYR A 34 -0.131 -24.873 2.687 1.00 43.44 C ATOM 533 OH TYR A 34 0.755 -23.921 2.235 1.00 23.40 O ATOM 0 H TYR A 34 -4.767 -29.354 4.662 1.00 65.25 H new ATOM 0 HA TYR A 34 -4.496 -26.522 4.660 1.00 75.41 H new ATOM 0 HB2 TYR A 34 -2.650 -28.091 5.130 1.00 43.11 H new ATOM 0 HB3 TYR A 34 -2.770 -28.750 3.511 1.00 43.11 H new ATOM 0 HD1 TYR A 34 -2.694 -25.227 4.833 1.00 34.32 H new ATOM 0 HD2 TYR A 34 -0.914 -28.114 2.253 1.00 54.42 H new ATOM 0 HE1 TYR A 34 -1.118 -23.529 4.023 1.00 23.24 H new ATOM 0 HE2 TYR A 34 0.667 -26.417 1.444 1.00 23.32 H new ATOM 0 HH TYR A 34 0.461 -23.034 2.531 1.00 23.40 H new ATOM 543 N VAL A 35 -5.231 -27.989 1.842 1.00 3.10 N ATOM 544 CA VAL A 35 -5.618 -27.759 0.455 1.00 4.33 C ATOM 545 C VAL A 35 -6.862 -26.882 0.370 1.00 20.02 C ATOM 546 O VAL A 35 -6.955 -25.997 -0.482 1.00 25.14 O ATOM 547 CB VAL A 35 -5.886 -29.085 -0.280 1.00 72.11 C ATOM 548 CG1 VAL A 35 -6.702 -28.841 -1.540 1.00 73.44 C ATOM 549 CG2 VAL A 35 -4.577 -29.786 -0.610 1.00 42.50 C ATOM 0 H VAL A 35 -5.390 -28.941 2.172 1.00 3.10 H new ATOM 0 HA VAL A 35 -4.784 -27.248 -0.026 1.00 4.33 H new ATOM 0 HB VAL A 35 -6.463 -29.735 0.378 1.00 72.11 H new ATOM 0 HG11 VAL A 35 -6.882 -29.789 -2.046 1.00 73.44 H new ATOM 0 HG12 VAL A 35 -7.656 -28.386 -1.273 1.00 73.44 H new ATOM 0 HG13 VAL A 35 -6.154 -28.173 -2.205 1.00 73.44 H new ATOM 0 HG21 VAL A 35 -4.786 -30.721 -1.129 1.00 42.50 H new ATOM 0 HG22 VAL A 35 -3.971 -29.144 -1.249 1.00 42.50 H new ATOM 0 HG23 VAL A 35 -4.034 -29.996 0.312 1.00 42.50 H new ATOM 559 N LEU A 36 -7.817 -27.133 1.259 1.00 53.24 N ATOM 560 CA LEU A 36 -9.058 -26.366 1.285 1.00 2.22 C ATOM 561 C LEU A 36 -8.812 -24.951 1.799 1.00 52.30 C ATOM 562 O LEU A 36 -9.466 -24.000 1.368 1.00 11.10 O ATOM 563 CB LEU A 36 -10.095 -27.067 2.164 1.00 52.20 C ATOM 564 CG LEU A 36 -11.039 -28.033 1.447 1.00 30.14 C ATOM 565 CD1 LEU A 36 -10.286 -29.271 0.986 1.00 30.45 C ATOM 566 CD2 LEU A 36 -12.198 -28.418 2.355 1.00 21.53 C ATOM 0 H LEU A 36 -7.756 -27.861 1.971 1.00 53.24 H new ATOM 0 HA LEU A 36 -9.439 -26.302 0.266 1.00 2.22 H new ATOM 0 HB2 LEU A 36 -9.569 -27.617 2.944 1.00 52.20 H new ATOM 0 HB3 LEU A 36 -10.696 -26.305 2.661 1.00 52.20 H new ATOM 0 HG LEU A 36 -11.444 -27.531 0.568 1.00 30.14 H new ATOM 0 HD11 LEU A 36 -10.974 -29.947 0.478 1.00 30.45 H new ATOM 0 HD12 LEU A 36 -9.491 -28.979 0.300 1.00 30.45 H new ATOM 0 HD13 LEU A 36 -9.853 -29.776 1.849 1.00 30.45 H new ATOM 0 HD21 LEU A 36 -12.860 -29.106 1.829 1.00 21.53 H new ATOM 0 HD22 LEU A 36 -11.812 -28.901 3.253 1.00 21.53 H new ATOM 0 HD23 LEU A 36 -12.754 -27.523 2.635 1.00 21.53 H new ATOM 578 N LEU A 37 -7.865 -24.818 2.720 1.00 3.24 N ATOM 579 CA LEU A 37 -7.530 -23.518 3.292 1.00 52.11 C ATOM 580 C LEU A 37 -6.631 -22.724 2.350 1.00 62.02 C ATOM 581 O LEU A 37 -6.928 -21.579 2.012 1.00 3.31 O ATOM 582 CB LEU A 37 -6.840 -23.696 4.645 1.00 25.11 C ATOM 583 CG LEU A 37 -7.732 -23.550 5.878 1.00 24.04 C ATOM 584 CD1 LEU A 37 -8.168 -22.104 6.053 1.00 1.32 C ATOM 585 CD2 LEU A 37 -8.943 -24.465 5.772 1.00 23.20 C ATOM 0 H LEU A 37 -7.315 -25.594 3.087 1.00 3.24 H new ATOM 0 HA LEU A 37 -8.457 -22.962 3.435 1.00 52.11 H new ATOM 0 HB2 LEU A 37 -6.381 -24.684 4.669 1.00 25.11 H new ATOM 0 HB3 LEU A 37 -6.033 -22.967 4.717 1.00 25.11 H new ATOM 0 HG LEU A 37 -7.156 -23.843 6.756 1.00 24.04 H new ATOM 0 HD11 LEU A 37 -8.802 -22.019 6.936 1.00 1.32 H new ATOM 0 HD12 LEU A 37 -7.289 -21.471 6.176 1.00 1.32 H new ATOM 0 HD13 LEU A 37 -8.726 -21.783 5.173 1.00 1.32 H new ATOM 0 HD21 LEU A 37 -9.566 -24.348 6.658 1.00 23.20 H new ATOM 0 HD22 LEU A 37 -9.520 -24.203 4.885 1.00 23.20 H new ATOM 0 HD23 LEU A 37 -8.611 -25.500 5.696 1.00 23.20 H new ATOM 597 N GLU A 38 -5.532 -23.342 1.928 1.00 20.10 N ATOM 598 CA GLU A 38 -4.591 -22.693 1.023 1.00 4.44 C ATOM 599 C GLU A 38 -5.310 -22.133 -0.200 1.00 40.15 C ATOM 600 O GLU A 38 -4.956 -21.069 -0.710 1.00 61.04 O ATOM 601 CB GLU A 38 -3.507 -23.680 0.585 1.00 40.24 C ATOM 602 CG GLU A 38 -3.996 -24.716 -0.413 1.00 62.21 C ATOM 603 CD GLU A 38 -2.936 -25.747 -0.750 1.00 20.11 C ATOM 604 OE1 GLU A 38 -2.386 -26.362 0.188 1.00 53.13 O ATOM 605 OE2 GLU A 38 -2.657 -25.939 -1.952 1.00 43.00 O ATOM 0 H GLU A 38 -5.272 -24.291 2.198 1.00 20.10 H new ATOM 0 HA GLU A 38 -4.124 -21.866 1.558 1.00 4.44 H new ATOM 0 HB2 GLU A 38 -2.679 -23.125 0.144 1.00 40.24 H new ATOM 0 HB3 GLU A 38 -3.116 -24.191 1.465 1.00 40.24 H new ATOM 0 HG2 GLU A 38 -4.873 -25.221 -0.007 1.00 62.21 H new ATOM 0 HG3 GLU A 38 -4.312 -24.214 -1.327 1.00 62.21 H new ATOM 612 N LEU A 39 -6.321 -22.857 -0.667 1.00 52.02 N ATOM 613 CA LEU A 39 -7.091 -22.434 -1.832 1.00 33.31 C ATOM 614 C LEU A 39 -8.112 -21.367 -1.451 1.00 53.14 C ATOM 615 O LEU A 39 -8.187 -20.311 -2.081 1.00 45.21 O ATOM 616 CB LEU A 39 -7.801 -23.634 -2.461 1.00 73.13 C ATOM 617 CG LEU A 39 -7.033 -24.368 -3.561 1.00 41.41 C ATOM 618 CD1 LEU A 39 -7.832 -25.558 -4.068 1.00 32.24 C ATOM 619 CD2 LEU A 39 -6.703 -23.419 -4.704 1.00 62.24 C ATOM 0 H LEU A 39 -6.627 -23.740 -0.257 1.00 52.02 H new ATOM 0 HA LEU A 39 -6.400 -22.007 -2.559 1.00 33.31 H new ATOM 0 HB2 LEU A 39 -8.035 -24.348 -1.671 1.00 73.13 H new ATOM 0 HB3 LEU A 39 -8.751 -23.293 -2.874 1.00 73.13 H new ATOM 0 HG LEU A 39 -6.098 -24.738 -3.140 1.00 41.41 H new ATOM 0 HD11 LEU A 39 -7.269 -26.068 -4.850 1.00 32.24 H new ATOM 0 HD12 LEU A 39 -8.017 -26.249 -3.246 1.00 32.24 H new ATOM 0 HD13 LEU A 39 -8.783 -25.212 -4.472 1.00 32.24 H new ATOM 0 HD21 LEU A 39 -6.156 -23.958 -5.478 1.00 62.24 H new ATOM 0 HD22 LEU A 39 -7.626 -23.019 -5.123 1.00 62.24 H new ATOM 0 HD23 LEU A 39 -6.089 -22.599 -4.331 1.00 62.24 H new ATOM 631 N LEU A 40 -8.896 -21.648 -0.416 1.00 53.15 N ATOM 632 CA LEU A 40 -9.912 -20.711 0.050 1.00 13.24 C ATOM 633 C LEU A 40 -9.304 -19.338 0.321 1.00 30.51 C ATOM 634 O LEU A 40 -9.885 -18.310 -0.029 1.00 65.11 O ATOM 635 CB LEU A 40 -10.582 -21.244 1.318 1.00 3.23 C ATOM 636 CG LEU A 40 -11.778 -20.443 1.833 1.00 11.21 C ATOM 637 CD1 LEU A 40 -12.775 -20.192 0.712 1.00 20.42 C ATOM 638 CD2 LEU A 40 -12.447 -21.168 2.992 1.00 62.12 C ATOM 0 H LEU A 40 -8.848 -22.517 0.116 1.00 53.15 H new ATOM 0 HA LEU A 40 -10.662 -20.607 -0.734 1.00 13.24 H new ATOM 0 HB2 LEU A 40 -10.909 -22.267 1.130 1.00 3.23 H new ATOM 0 HB3 LEU A 40 -9.833 -21.290 2.109 1.00 3.23 H new ATOM 0 HG LEU A 40 -11.417 -19.480 2.193 1.00 11.21 H new ATOM 0 HD11 LEU A 40 -13.619 -19.621 1.097 1.00 20.42 H new ATOM 0 HD12 LEU A 40 -12.291 -19.630 -0.087 1.00 20.42 H new ATOM 0 HD13 LEU A 40 -13.130 -21.145 0.321 1.00 20.42 H new ATOM 0 HD21 LEU A 40 -13.296 -20.583 3.346 1.00 62.12 H new ATOM 0 HD22 LEU A 40 -12.794 -22.146 2.658 1.00 62.12 H new ATOM 0 HD23 LEU A 40 -11.731 -21.295 3.804 1.00 62.12 H new ATOM 650 N LEU A 41 -8.131 -19.330 0.945 1.00 50.34 N ATOM 651 CA LEU A 41 -7.442 -18.083 1.261 1.00 62.45 C ATOM 652 C LEU A 41 -6.773 -17.501 0.019 1.00 20.24 C ATOM 653 O LEU A 41 -6.729 -16.285 -0.160 1.00 54.41 O ATOM 654 CB LEU A 41 -6.398 -18.318 2.354 1.00 41.12 C ATOM 655 CG LEU A 41 -5.207 -19.197 1.968 1.00 55.42 C ATOM 656 CD1 LEU A 41 -4.108 -18.358 1.335 1.00 1.22 C ATOM 657 CD2 LEU A 41 -4.679 -19.943 3.184 1.00 2.31 C ATOM 0 H LEU A 41 -7.637 -20.172 1.242 1.00 50.34 H new ATOM 0 HA LEU A 41 -8.182 -17.368 1.621 1.00 62.45 H new ATOM 0 HB2 LEU A 41 -6.018 -17.350 2.680 1.00 41.12 H new ATOM 0 HB3 LEU A 41 -6.895 -18.771 3.212 1.00 41.12 H new ATOM 0 HG LEU A 41 -5.543 -19.931 1.235 1.00 55.42 H new ATOM 0 HD11 LEU A 41 -3.269 -19.000 1.067 1.00 1.22 H new ATOM 0 HD12 LEU A 41 -4.493 -17.871 0.439 1.00 1.22 H new ATOM 0 HD13 LEU A 41 -3.774 -17.601 2.045 1.00 1.22 H new ATOM 0 HD21 LEU A 41 -3.832 -20.563 2.891 1.00 2.31 H new ATOM 0 HD22 LEU A 41 -4.359 -19.226 3.940 1.00 2.31 H new ATOM 0 HD23 LEU A 41 -5.467 -20.575 3.594 1.00 2.31 H new ATOM 669 N GLN A 42 -6.255 -18.379 -0.834 1.00 54.32 N ATOM 670 CA GLN A 42 -5.590 -17.951 -2.059 1.00 54.13 C ATOM 671 C GLN A 42 -6.524 -17.104 -2.918 1.00 62.33 C ATOM 672 O GLN A 42 -6.102 -16.120 -3.526 1.00 21.12 O ATOM 673 CB GLN A 42 -5.109 -19.166 -2.854 1.00 5.10 C ATOM 674 CG GLN A 42 -4.663 -18.830 -4.268 1.00 24.20 C ATOM 675 CD GLN A 42 -3.818 -19.925 -4.889 1.00 74.42 C ATOM 676 OE1 GLN A 42 -3.002 -20.554 -4.215 1.00 33.13 O ATOM 677 NE2 GLN A 42 -4.011 -20.160 -6.182 1.00 25.00 N ATOM 0 H GLN A 42 -6.283 -19.390 -0.700 1.00 54.32 H new ATOM 0 HA GLN A 42 -4.729 -17.343 -1.782 1.00 54.13 H new ATOM 0 HB2 GLN A 42 -4.280 -19.633 -2.322 1.00 5.10 H new ATOM 0 HB3 GLN A 42 -5.913 -19.901 -2.900 1.00 5.10 H new ATOM 0 HG2 GLN A 42 -5.541 -18.657 -4.890 1.00 24.20 H new ATOM 0 HG3 GLN A 42 -4.094 -17.901 -4.254 1.00 24.20 H new ATOM 0 HE21 GLN A 42 -4.698 -19.615 -6.702 1.00 25.00 H new ATOM 0 HE22 GLN A 42 -3.472 -20.886 -6.654 1.00 25.00 H new ATOM 686 N ARG A 43 -7.794 -17.494 -2.964 1.00 44.14 N ATOM 687 CA ARG A 43 -8.786 -16.771 -3.750 1.00 74.44 C ATOM 688 C ARG A 43 -9.749 -16.010 -2.843 1.00 62.15 C ATOM 689 O ARG A 43 -10.882 -15.718 -3.227 1.00 42.25 O ATOM 690 CB ARG A 43 -9.566 -17.740 -4.641 1.00 35.31 C ATOM 691 CG ARG A 43 -8.688 -18.531 -5.597 1.00 0.51 C ATOM 692 CD ARG A 43 -7.818 -17.613 -6.442 1.00 13.11 C ATOM 693 NE ARG A 43 -8.616 -16.732 -7.291 1.00 64.44 N ATOM 694 CZ ARG A 43 -8.135 -16.112 -8.363 1.00 61.44 C ATOM 695 NH1 ARG A 43 -6.867 -16.276 -8.715 1.00 71.12 N ATOM 696 NH2 ARG A 43 -8.923 -15.327 -9.086 1.00 52.02 N ATOM 0 H ARG A 43 -8.160 -18.306 -2.467 1.00 44.14 H new ATOM 0 HA ARG A 43 -8.261 -16.052 -4.379 1.00 74.44 H new ATOM 0 HB2 ARG A 43 -10.119 -18.435 -4.010 1.00 35.31 H new ATOM 0 HB3 ARG A 43 -10.301 -17.178 -5.217 1.00 35.31 H new ATOM 0 HG2 ARG A 43 -8.055 -19.214 -5.031 1.00 0.51 H new ATOM 0 HG3 ARG A 43 -9.314 -19.141 -6.248 1.00 0.51 H new ATOM 0 HD2 ARG A 43 -7.185 -17.012 -5.790 1.00 13.11 H new ATOM 0 HD3 ARG A 43 -7.155 -18.214 -7.065 1.00 13.11 H new ATOM 0 HE ARG A 43 -9.596 -16.585 -7.048 1.00 64.44 H new ATOM 0 HH11 ARG A 43 -6.258 -16.879 -8.162 1.00 71.12 H new ATOM 0 HH12 ARG A 43 -6.501 -15.799 -9.539 1.00 71.12 H new ATOM 0 HH21 ARG A 43 -9.899 -15.199 -8.819 1.00 52.02 H new ATOM 0 HH22 ARG A 43 -8.553 -14.851 -9.909 1.00 52.02 H new ATOM 710 N THR A 44 -9.290 -15.692 -1.637 1.00 12.32 N ATOM 711 CA THR A 44 -10.110 -14.966 -0.675 1.00 21.44 C ATOM 712 C THR A 44 -10.732 -13.726 -1.306 1.00 71.54 C ATOM 713 O THR A 44 -10.049 -12.945 -1.966 1.00 43.31 O ATOM 714 CB THR A 44 -9.288 -14.543 0.558 1.00 70.44 C ATOM 715 OG1 THR A 44 -10.146 -13.952 1.540 1.00 73.34 O ATOM 716 CG2 THR A 44 -8.199 -13.556 0.168 1.00 3.52 C ATOM 0 H THR A 44 -8.355 -15.926 -1.303 1.00 12.32 H new ATOM 0 HA THR A 44 -10.902 -15.645 -0.360 1.00 21.44 H new ATOM 0 HB THR A 44 -8.817 -15.433 0.977 1.00 70.44 H new ATOM 0 HG1 THR A 44 -9.616 -13.688 2.321 1.00 73.34 H new ATOM 0 HG21 THR A 44 -7.632 -13.271 1.054 1.00 3.52 H new ATOM 0 HG22 THR A 44 -7.531 -14.020 -0.557 1.00 3.52 H new ATOM 0 HG23 THR A 44 -8.653 -12.668 -0.273 1.00 3.52 H new ATOM 724 N GLY A 45 -12.034 -13.552 -1.099 1.00 61.04 N ATOM 725 CA GLY A 45 -12.726 -12.404 -1.655 1.00 72.13 C ATOM 726 C GLY A 45 -13.747 -12.795 -2.706 1.00 22.24 C ATOM 727 O GLY A 45 -14.697 -12.056 -2.962 1.00 23.23 O ATOM 0 H GLY A 45 -12.621 -14.185 -0.556 1.00 61.04 H new ATOM 0 HA2 GLY A 45 -13.225 -11.861 -0.852 1.00 72.13 H new ATOM 0 HA3 GLY A 45 -11.998 -11.723 -2.096 1.00 72.13 H new ATOM 731 N GLU A 46 -13.549 -13.960 -3.316 1.00 13.42 N ATOM 732 CA GLU A 46 -14.460 -14.445 -4.346 1.00 63.32 C ATOM 733 C GLU A 46 -14.774 -15.924 -4.141 1.00 62.54 C ATOM 734 O GLU A 46 -13.952 -16.679 -3.620 1.00 52.23 O ATOM 735 CB GLU A 46 -13.856 -14.228 -5.735 1.00 64.52 C ATOM 736 CG GLU A 46 -12.402 -14.658 -5.840 1.00 42.54 C ATOM 737 CD GLU A 46 -11.873 -14.584 -7.260 1.00 11.13 C ATOM 738 OE1 GLU A 46 -12.441 -15.265 -8.140 1.00 2.44 O ATOM 739 OE2 GLU A 46 -10.892 -13.847 -7.491 1.00 13.54 O ATOM 0 H GLU A 46 -12.768 -14.584 -3.115 1.00 13.42 H new ATOM 0 HA GLU A 46 -15.389 -13.880 -4.269 1.00 63.32 H new ATOM 0 HB2 GLU A 46 -14.444 -14.781 -6.468 1.00 64.52 H new ATOM 0 HB3 GLU A 46 -13.934 -13.172 -5.995 1.00 64.52 H new ATOM 0 HG2 GLU A 46 -11.792 -14.025 -5.196 1.00 42.54 H new ATOM 0 HG3 GLU A 46 -12.301 -15.679 -5.471 1.00 42.54 H new ATOM 746 N VAL A 47 -15.969 -16.332 -4.555 1.00 35.31 N ATOM 747 CA VAL A 47 -16.393 -17.721 -4.418 1.00 12.41 C ATOM 748 C VAL A 47 -15.922 -18.558 -5.601 1.00 63.50 C ATOM 749 O VAL A 47 -16.026 -18.138 -6.754 1.00 64.22 O ATOM 750 CB VAL A 47 -17.925 -17.831 -4.303 1.00 32.12 C ATOM 751 CG1 VAL A 47 -18.599 -17.197 -5.510 1.00 43.31 C ATOM 752 CG2 VAL A 47 -18.344 -19.286 -4.151 1.00 52.44 C ATOM 0 H VAL A 47 -16.661 -15.721 -4.988 1.00 35.31 H new ATOM 0 HA VAL A 47 -15.939 -18.102 -3.503 1.00 12.41 H new ATOM 0 HB VAL A 47 -18.245 -17.289 -3.413 1.00 32.12 H new ATOM 0 HG11 VAL A 47 -19.681 -17.285 -5.410 1.00 43.31 H new ATOM 0 HG12 VAL A 47 -18.324 -16.144 -5.569 1.00 43.31 H new ATOM 0 HG13 VAL A 47 -18.276 -17.707 -6.417 1.00 43.31 H new ATOM 0 HG21 VAL A 47 -19.429 -19.346 -4.071 1.00 52.44 H new ATOM 0 HG22 VAL A 47 -18.013 -19.853 -5.021 1.00 52.44 H new ATOM 0 HG23 VAL A 47 -17.891 -19.703 -3.252 1.00 52.44 H new ATOM 762 N LEU A 48 -15.403 -19.746 -5.309 1.00 34.15 N ATOM 763 CA LEU A 48 -14.916 -20.645 -6.349 1.00 24.24 C ATOM 764 C LEU A 48 -15.618 -21.997 -6.273 1.00 61.11 C ATOM 765 O LEU A 48 -16.217 -22.358 -5.259 1.00 45.54 O ATOM 766 CB LEU A 48 -13.403 -20.835 -6.218 1.00 34.20 C ATOM 767 CG LEU A 48 -12.788 -20.423 -4.880 1.00 73.31 C ATOM 768 CD1 LEU A 48 -11.517 -21.213 -4.612 1.00 5.24 C ATOM 769 CD2 LEU A 48 -12.504 -18.928 -4.861 1.00 71.44 C ATOM 0 H LEU A 48 -15.309 -20.109 -4.360 1.00 34.15 H new ATOM 0 HA LEU A 48 -15.138 -20.195 -7.317 1.00 24.24 H new ATOM 0 HB2 LEU A 48 -13.173 -21.886 -6.393 1.00 34.20 H new ATOM 0 HB3 LEU A 48 -12.916 -20.266 -7.010 1.00 34.20 H new ATOM 0 HG LEU A 48 -13.504 -20.646 -4.089 1.00 73.31 H new ATOM 0 HD11 LEU A 48 -11.093 -20.907 -3.656 1.00 5.24 H new ATOM 0 HD12 LEU A 48 -11.750 -22.277 -4.581 1.00 5.24 H new ATOM 0 HD13 LEU A 48 -10.796 -21.022 -5.407 1.00 5.24 H new ATOM 0 HD21 LEU A 48 -12.067 -18.653 -3.901 1.00 71.44 H new ATOM 0 HD22 LEU A 48 -11.807 -18.680 -5.662 1.00 71.44 H new ATOM 0 HD23 LEU A 48 -13.434 -18.379 -5.006 1.00 71.44 H new ATOM 781 N PRO A 49 -15.543 -22.765 -7.370 1.00 25.40 N ATOM 782 CA PRO A 49 -16.163 -24.091 -7.452 1.00 21.10 C ATOM 783 C PRO A 49 -15.461 -25.115 -6.567 1.00 21.41 C ATOM 784 O PRO A 49 -14.281 -24.969 -6.248 1.00 61.11 O ATOM 785 CB PRO A 49 -16.008 -24.465 -8.928 1.00 41.53 C ATOM 786 CG PRO A 49 -14.827 -23.685 -9.394 1.00 40.03 C ATOM 787 CD PRO A 49 -14.845 -22.399 -8.614 1.00 75.53 C ATOM 0 HA PRO A 49 -17.197 -24.079 -7.108 1.00 21.10 H new ATOM 0 HB2 PRO A 49 -15.848 -25.536 -9.050 1.00 41.53 H new ATOM 0 HB3 PRO A 49 -16.901 -24.209 -9.497 1.00 41.53 H new ATOM 0 HG2 PRO A 49 -13.902 -24.235 -9.218 1.00 40.03 H new ATOM 0 HG3 PRO A 49 -14.885 -23.492 -10.465 1.00 40.03 H new ATOM 0 HD2 PRO A 49 -13.837 -22.034 -8.417 1.00 75.53 H new ATOM 0 HD3 PRO A 49 -15.370 -21.610 -9.152 1.00 75.53 H new ATOM 795 N ARG A 50 -16.194 -26.152 -6.174 1.00 1.14 N ATOM 796 CA ARG A 50 -15.641 -27.200 -5.324 1.00 70.25 C ATOM 797 C ARG A 50 -14.843 -28.204 -6.151 1.00 24.44 C ATOM 798 O ARG A 50 -13.876 -28.792 -5.666 1.00 64.23 O ATOM 799 CB ARG A 50 -16.761 -27.920 -4.571 1.00 54.41 C ATOM 800 CG ARG A 50 -16.275 -29.080 -3.719 1.00 63.31 C ATOM 801 CD ARG A 50 -16.407 -30.405 -4.454 1.00 42.13 C ATOM 802 NE ARG A 50 -17.790 -30.687 -4.830 1.00 22.04 N ATOM 803 CZ ARG A 50 -18.731 -31.036 -3.959 1.00 41.33 C ATOM 804 NH1 ARG A 50 -18.439 -31.144 -2.670 1.00 73.05 N ATOM 805 NH2 ARG A 50 -19.967 -31.276 -4.378 1.00 21.22 N ATOM 0 H ARG A 50 -17.172 -26.289 -6.430 1.00 1.14 H new ATOM 0 HA ARG A 50 -14.970 -26.733 -4.603 1.00 70.25 H new ATOM 0 HB2 ARG A 50 -17.277 -27.203 -3.933 1.00 54.41 H new ATOM 0 HB3 ARG A 50 -17.491 -28.290 -5.291 1.00 54.41 H new ATOM 0 HG2 ARG A 50 -15.233 -28.918 -3.443 1.00 63.31 H new ATOM 0 HG3 ARG A 50 -16.848 -29.118 -2.793 1.00 63.31 H new ATOM 0 HD2 ARG A 50 -15.785 -30.387 -5.349 1.00 42.13 H new ATOM 0 HD3 ARG A 50 -16.032 -31.209 -3.821 1.00 42.13 H new ATOM 0 HE ARG A 50 -18.047 -30.612 -5.814 1.00 22.04 H new ATOM 0 HH11 ARG A 50 -17.490 -30.959 -2.345 1.00 73.05 H new ATOM 0 HH12 ARG A 50 -19.163 -31.412 -2.004 1.00 73.05 H new ATOM 0 HH21 ARG A 50 -20.195 -31.193 -5.369 1.00 21.22 H new ATOM 0 HH22 ARG A 50 -20.689 -31.544 -3.709 1.00 21.22 H new ATOM 819 N SER A 51 -15.255 -28.396 -7.400 1.00 2.03 N ATOM 820 CA SER A 51 -14.581 -29.332 -8.292 1.00 30.12 C ATOM 821 C SER A 51 -13.080 -29.063 -8.328 1.00 43.14 C ATOM 822 O SER A 51 -12.278 -29.977 -8.522 1.00 64.33 O ATOM 823 CB SER A 51 -15.163 -29.233 -9.703 1.00 41.03 C ATOM 824 OG SER A 51 -16.546 -28.926 -9.664 1.00 61.44 O ATOM 0 H SER A 51 -16.052 -27.916 -7.817 1.00 2.03 H new ATOM 0 HA SER A 51 -14.742 -30.340 -7.910 1.00 30.12 H new ATOM 0 HB2 SER A 51 -14.632 -28.465 -10.265 1.00 41.03 H new ATOM 0 HB3 SER A 51 -15.011 -30.175 -10.229 1.00 41.03 H new ATOM 0 HG SER A 51 -16.894 -28.867 -10.578 1.00 61.44 H new ATOM 830 N LEU A 52 -12.707 -27.802 -8.141 1.00 3.22 N ATOM 831 CA LEU A 52 -11.301 -27.410 -8.152 1.00 15.11 C ATOM 832 C LEU A 52 -10.587 -27.910 -6.901 1.00 2.14 C ATOM 833 O LEU A 52 -9.506 -28.494 -6.983 1.00 71.30 O ATOM 834 CB LEU A 52 -11.177 -25.889 -8.251 1.00 2.52 C ATOM 835 CG LEU A 52 -9.757 -25.339 -8.394 1.00 61.42 C ATOM 836 CD1 LEU A 52 -9.087 -25.909 -9.635 1.00 20.52 C ATOM 837 CD2 LEU A 52 -9.776 -23.819 -8.447 1.00 50.33 C ATOM 0 H LEU A 52 -13.358 -27.033 -7.980 1.00 3.22 H new ATOM 0 HA LEU A 52 -10.829 -27.864 -9.023 1.00 15.11 H new ATOM 0 HB2 LEU A 52 -11.764 -25.552 -9.106 1.00 2.52 H new ATOM 0 HB3 LEU A 52 -11.628 -25.449 -7.361 1.00 2.52 H new ATOM 0 HG LEU A 52 -9.180 -25.644 -7.521 1.00 61.42 H new ATOM 0 HD11 LEU A 52 -8.078 -25.507 -9.721 1.00 20.52 H new ATOM 0 HD12 LEU A 52 -9.039 -26.995 -9.556 1.00 20.52 H new ATOM 0 HD13 LEU A 52 -9.663 -25.634 -10.518 1.00 20.52 H new ATOM 0 HD21 LEU A 52 -8.757 -23.446 -8.549 1.00 50.33 H new ATOM 0 HD22 LEU A 52 -10.369 -23.492 -9.301 1.00 50.33 H new ATOM 0 HD23 LEU A 52 -10.215 -23.428 -7.529 1.00 50.33 H new ATOM 849 N ILE A 53 -11.198 -27.678 -5.744 1.00 33.21 N ATOM 850 CA ILE A 53 -10.622 -28.108 -4.476 1.00 62.21 C ATOM 851 C ILE A 53 -10.242 -29.585 -4.517 1.00 54.43 C ATOM 852 O ILE A 53 -9.094 -29.948 -4.263 1.00 71.34 O ATOM 853 CB ILE A 53 -11.595 -27.872 -3.306 1.00 73.42 C ATOM 854 CG1 ILE A 53 -12.000 -26.398 -3.241 1.00 35.44 C ATOM 855 CG2 ILE A 53 -10.963 -28.313 -1.994 1.00 52.52 C ATOM 856 CD1 ILE A 53 -13.382 -26.177 -2.666 1.00 1.53 C ATOM 0 H ILE A 53 -12.092 -27.195 -5.659 1.00 33.21 H new ATOM 0 HA ILE A 53 -9.725 -27.509 -4.318 1.00 62.21 H new ATOM 0 HB ILE A 53 -12.492 -28.468 -3.472 1.00 73.42 H new ATOM 0 HG12 ILE A 53 -11.273 -25.856 -2.637 1.00 35.44 H new ATOM 0 HG13 ILE A 53 -11.960 -25.974 -4.244 1.00 35.44 H new ATOM 0 HG21 ILE A 53 -11.663 -28.140 -1.177 1.00 52.52 H new ATOM 0 HG22 ILE A 53 -10.721 -29.374 -2.046 1.00 52.52 H new ATOM 0 HG23 ILE A 53 -10.052 -27.741 -1.819 1.00 52.52 H new ATOM 0 HD11 ILE A 53 -13.603 -25.110 -2.650 1.00 1.53 H new ATOM 0 HD12 ILE A 53 -14.119 -26.691 -3.283 1.00 1.53 H new ATOM 0 HD13 ILE A 53 -13.421 -26.571 -1.650 1.00 1.53 H new ATOM 868 N SER A 54 -11.215 -30.431 -4.841 1.00 21.14 N ATOM 869 CA SER A 54 -10.984 -31.869 -4.914 1.00 22.04 C ATOM 870 C SER A 54 -9.847 -32.188 -5.880 1.00 75.23 C ATOM 871 O SER A 54 -9.133 -33.176 -5.711 1.00 72.44 O ATOM 872 CB SER A 54 -12.260 -32.590 -5.352 1.00 64.33 C ATOM 873 OG SER A 54 -12.148 -33.989 -5.155 1.00 60.25 O ATOM 0 H SER A 54 -12.170 -30.146 -5.057 1.00 21.14 H new ATOM 0 HA SER A 54 -10.701 -32.218 -3.921 1.00 22.04 H new ATOM 0 HB2 SER A 54 -13.110 -32.207 -4.787 1.00 64.33 H new ATOM 0 HB3 SER A 54 -12.456 -32.382 -6.404 1.00 64.33 H new ATOM 0 HG SER A 54 -11.805 -34.408 -5.972 1.00 60.25 H new ATOM 879 N SER A 55 -9.687 -31.344 -6.894 1.00 42.03 N ATOM 880 CA SER A 55 -8.640 -31.537 -7.891 1.00 53.02 C ATOM 881 C SER A 55 -7.264 -31.258 -7.295 1.00 21.41 C ATOM 882 O SER A 55 -6.260 -31.826 -7.728 1.00 32.21 O ATOM 883 CB SER A 55 -8.880 -30.626 -9.096 1.00 54.25 C ATOM 884 OG SER A 55 -8.038 -30.980 -10.180 1.00 33.24 O ATOM 0 H SER A 55 -10.269 -30.520 -7.047 1.00 42.03 H new ATOM 0 HA SER A 55 -8.671 -32.576 -8.218 1.00 53.02 H new ATOM 0 HB2 SER A 55 -9.923 -30.694 -9.405 1.00 54.25 H new ATOM 0 HB3 SER A 55 -8.698 -29.589 -8.814 1.00 54.25 H new ATOM 0 HG SER A 55 -8.212 -30.384 -10.938 1.00 33.24 H new ATOM 890 N LEU A 56 -7.225 -30.381 -6.299 1.00 4.43 N ATOM 891 CA LEU A 56 -5.972 -30.025 -5.641 1.00 62.12 C ATOM 892 C LEU A 56 -5.578 -31.081 -4.613 1.00 1.30 C ATOM 893 O LEU A 56 -4.488 -31.030 -4.042 1.00 34.20 O ATOM 894 CB LEU A 56 -6.098 -28.659 -4.964 1.00 60.31 C ATOM 895 CG LEU A 56 -5.295 -27.521 -5.594 1.00 40.15 C ATOM 896 CD1 LEU A 56 -6.168 -26.713 -6.543 1.00 23.34 C ATOM 897 CD2 LEU A 56 -4.704 -26.624 -4.516 1.00 71.22 C ATOM 0 H LEU A 56 -8.046 -29.903 -5.929 1.00 4.43 H new ATOM 0 HA LEU A 56 -5.192 -29.976 -6.401 1.00 62.12 H new ATOM 0 HB2 LEU A 56 -7.150 -28.374 -4.958 1.00 60.31 H new ATOM 0 HB3 LEU A 56 -5.790 -28.762 -3.924 1.00 60.31 H new ATOM 0 HG LEU A 56 -4.475 -27.955 -6.167 1.00 40.15 H new ATOM 0 HD11 LEU A 56 -5.579 -25.907 -6.982 1.00 23.34 H new ATOM 0 HD12 LEU A 56 -6.542 -27.362 -7.335 1.00 23.34 H new ATOM 0 HD13 LEU A 56 -7.009 -26.290 -5.993 1.00 23.34 H new ATOM 0 HD21 LEU A 56 -4.136 -25.820 -4.983 1.00 71.22 H new ATOM 0 HD22 LEU A 56 -5.508 -26.199 -3.915 1.00 71.22 H new ATOM 0 HD23 LEU A 56 -4.044 -27.210 -3.876 1.00 71.22 H new ATOM 909 N VAL A 57 -6.471 -32.038 -4.383 1.00 51.11 N ATOM 910 CA VAL A 57 -6.216 -33.108 -3.426 1.00 62.03 C ATOM 911 C VAL A 57 -6.351 -34.477 -4.084 1.00 4.21 C ATOM 912 O VAL A 57 -5.353 -35.131 -4.389 1.00 13.20 O ATOM 913 CB VAL A 57 -7.179 -33.030 -2.227 1.00 2.02 C ATOM 914 CG1 VAL A 57 -6.479 -32.427 -1.018 1.00 62.23 C ATOM 915 CG2 VAL A 57 -8.418 -32.227 -2.591 1.00 15.03 C ATOM 0 H VAL A 57 -7.378 -32.094 -4.847 1.00 51.11 H new ATOM 0 HA VAL A 57 -5.194 -32.978 -3.070 1.00 62.03 H new ATOM 0 HB VAL A 57 -7.492 -34.041 -1.968 1.00 2.02 H new ATOM 0 HG11 VAL A 57 -7.175 -32.380 -0.181 1.00 62.23 H new ATOM 0 HG12 VAL A 57 -5.625 -33.047 -0.745 1.00 62.23 H new ATOM 0 HG13 VAL A 57 -6.135 -31.422 -1.261 1.00 62.23 H new ATOM 0 HG21 VAL A 57 -9.088 -32.182 -1.732 1.00 15.03 H new ATOM 0 HG22 VAL A 57 -8.126 -31.216 -2.877 1.00 15.03 H new ATOM 0 HG23 VAL A 57 -8.930 -32.706 -3.426 1.00 15.03 H new ATOM 925 N TRP A 58 -7.589 -34.904 -4.300 1.00 15.43 N ATOM 926 CA TRP A 58 -7.855 -36.196 -4.922 1.00 40.33 C ATOM 927 C TRP A 58 -7.765 -36.097 -6.441 1.00 54.21 C ATOM 928 O TRP A 58 -6.791 -36.543 -7.045 1.00 3.24 O ATOM 929 CB TRP A 58 -9.237 -36.708 -4.513 1.00 2.13 C ATOM 930 CG TRP A 58 -9.627 -37.980 -5.202 1.00 70.22 C ATOM 931 CD1 TRP A 58 -10.658 -38.153 -6.081 1.00 61.11 C ATOM 932 CD2 TRP A 58 -8.993 -39.257 -5.068 1.00 11.11 C ATOM 933 NE1 TRP A 58 -10.703 -39.461 -6.501 1.00 40.43 N ATOM 934 CE2 TRP A 58 -9.692 -40.158 -5.895 1.00 41.00 C ATOM 935 CE3 TRP A 58 -7.902 -39.726 -4.331 1.00 73.23 C ATOM 936 CZ2 TRP A 58 -9.334 -41.499 -6.003 1.00 34.30 C ATOM 937 CZ3 TRP A 58 -7.549 -41.058 -4.439 1.00 40.33 C ATOM 938 CH2 TRP A 58 -8.262 -41.932 -5.270 1.00 54.45 C ATOM 0 H TRP A 58 -8.425 -34.375 -4.054 1.00 15.43 H new ATOM 0 HA TRP A 58 -7.098 -36.900 -4.577 1.00 40.33 H new ATOM 0 HB2 TRP A 58 -9.253 -36.868 -3.435 1.00 2.13 H new ATOM 0 HB3 TRP A 58 -9.980 -35.942 -4.733 1.00 2.13 H new ATOM 0 HD1 TRP A 58 -11.338 -37.376 -6.399 1.00 61.11 H new ATOM 0 HE1 TRP A 58 -11.380 -39.850 -7.158 1.00 40.43 H new ATOM 0 HE3 TRP A 58 -7.345 -39.060 -3.689 1.00 73.23 H new ATOM 0 HZ2 TRP A 58 -9.883 -42.174 -6.643 1.00 34.30 H new ATOM 0 HZ3 TRP A 58 -6.709 -41.432 -3.873 1.00 40.33 H new ATOM 0 HH2 TRP A 58 -7.960 -42.967 -5.334 1.00 54.45 H new ATOM 949 N ASN A 59 -8.789 -35.509 -7.053 1.00 23.40 N ATOM 950 CA ASN A 59 -8.825 -35.353 -8.502 1.00 43.45 C ATOM 951 C ASN A 59 -10.045 -34.544 -8.932 1.00 40.10 C ATOM 952 O ASN A 59 -10.976 -34.346 -8.153 1.00 14.44 O ATOM 953 CB ASN A 59 -8.841 -36.722 -9.184 1.00 61.22 C ATOM 954 CG ASN A 59 -8.181 -36.696 -10.549 1.00 71.45 C ATOM 955 OD1 ASN A 59 -6.969 -36.514 -10.662 1.00 41.40 O ATOM 956 ND2 ASN A 59 -8.979 -36.880 -11.595 1.00 43.53 N ATOM 0 H ASN A 59 -9.604 -35.133 -6.568 1.00 23.40 H new ATOM 0 HA ASN A 59 -7.928 -34.814 -8.806 1.00 43.45 H new ATOM 0 HB2 ASN A 59 -8.330 -37.447 -8.550 1.00 61.22 H new ATOM 0 HB3 ASN A 59 -9.872 -37.061 -9.288 1.00 61.22 H new ATOM 0 HD21 ASN A 59 -8.592 -36.874 -12.539 1.00 43.53 H new ATOM 0 HD22 ASN A 59 -9.978 -37.027 -11.454 1.00 43.53 H new ATOM 963 N MET A 60 -10.032 -34.080 -10.177 1.00 71.04 N ATOM 964 CA MET A 60 -11.139 -33.294 -10.711 1.00 63.43 C ATOM 965 C MET A 60 -12.206 -34.200 -11.316 1.00 75.32 C ATOM 966 O MET A 60 -11.896 -35.238 -11.899 1.00 25.12 O ATOM 967 CB MET A 60 -10.631 -32.310 -11.767 1.00 22.04 C ATOM 968 CG MET A 60 -9.904 -32.979 -12.922 1.00 25.14 C ATOM 969 SD MET A 60 -9.352 -31.801 -14.171 1.00 21.35 S ATOM 970 CE MET A 60 -10.821 -31.673 -15.187 1.00 11.31 C ATOM 0 H MET A 60 -9.268 -34.234 -10.835 1.00 71.04 H new ATOM 0 HA MET A 60 -11.585 -32.735 -9.888 1.00 63.43 H new ATOM 0 HB2 MET A 60 -11.475 -31.743 -12.160 1.00 22.04 H new ATOM 0 HB3 MET A 60 -9.960 -31.594 -11.292 1.00 22.04 H new ATOM 0 HG2 MET A 60 -9.043 -33.525 -12.537 1.00 25.14 H new ATOM 0 HG3 MET A 60 -10.564 -33.712 -13.386 1.00 25.14 H new ATOM 0 HE1 MET A 60 -10.637 -30.978 -16.006 1.00 11.31 H new ATOM 0 HE2 MET A 60 -11.070 -32.654 -15.592 1.00 11.31 H new ATOM 0 HE3 MET A 60 -11.651 -31.309 -14.582 1.00 11.31 H new ATOM 980 N ASN A 61 -13.466 -33.800 -11.173 1.00 61.31 N ATOM 981 CA ASN A 61 -14.580 -34.577 -11.705 1.00 64.30 C ATOM 982 C ASN A 61 -15.882 -33.786 -11.625 1.00 21.52 C ATOM 983 O ASN A 61 -15.945 -32.738 -10.983 1.00 14.30 O ATOM 984 CB ASN A 61 -14.722 -35.894 -10.939 1.00 64.22 C ATOM 985 CG ASN A 61 -15.381 -36.978 -11.770 1.00 63.13 C ATOM 986 OD1 ASN A 61 -16.539 -37.330 -11.546 1.00 10.31 O ATOM 987 ND2 ASN A 61 -14.643 -37.513 -12.736 1.00 73.43 N ATOM 0 H ASN A 61 -13.741 -32.943 -10.693 1.00 61.31 H new ATOM 0 HA ASN A 61 -14.372 -34.794 -12.753 1.00 64.30 H new ATOM 0 HB2 ASN A 61 -13.737 -36.233 -10.620 1.00 64.22 H new ATOM 0 HB3 ASN A 61 -15.309 -35.725 -10.036 1.00 64.22 H new ATOM 0 HD21 ASN A 61 -15.032 -38.247 -13.328 1.00 73.43 H new ATOM 0 HD22 ASN A 61 -13.687 -37.190 -12.886 1.00 73.43 H new ATOM 994 N PHE A 62 -16.919 -34.297 -12.280 1.00 51.03 N ATOM 995 CA PHE A 62 -18.220 -33.639 -12.284 1.00 13.21 C ATOM 996 C PHE A 62 -19.203 -34.371 -11.374 1.00 63.15 C ATOM 997 O PHE A 62 -20.403 -34.412 -11.644 1.00 52.34 O ATOM 998 CB PHE A 62 -18.778 -33.572 -13.707 1.00 61.22 C ATOM 999 CG PHE A 62 -18.748 -34.891 -14.425 1.00 32.20 C ATOM 1000 CD1 PHE A 62 -19.793 -35.792 -14.290 1.00 44.23 C ATOM 1001 CD2 PHE A 62 -17.676 -35.230 -15.235 1.00 34.32 C ATOM 1002 CE1 PHE A 62 -19.767 -37.007 -14.949 1.00 52.51 C ATOM 1003 CE2 PHE A 62 -17.646 -36.443 -15.897 1.00 23.45 C ATOM 1004 CZ PHE A 62 -18.693 -37.332 -15.754 1.00 71.22 C ATOM 0 H PHE A 62 -16.884 -35.165 -12.815 1.00 51.03 H new ATOM 0 HA PHE A 62 -18.087 -32.625 -11.906 1.00 13.21 H new ATOM 0 HB2 PHE A 62 -19.806 -33.211 -13.669 1.00 61.22 H new ATOM 0 HB3 PHE A 62 -18.205 -32.843 -14.279 1.00 61.22 H new ATOM 0 HD1 PHE A 62 -20.636 -35.542 -13.663 1.00 44.23 H new ATOM 0 HD2 PHE A 62 -16.854 -34.538 -15.350 1.00 34.32 H new ATOM 0 HE1 PHE A 62 -20.586 -37.702 -14.834 1.00 52.51 H new ATOM 0 HE2 PHE A 62 -16.805 -36.695 -16.525 1.00 23.45 H new ATOM 0 HZ PHE A 62 -18.672 -38.280 -16.271 1.00 71.22 H new ATOM 1014 N ASP A 63 -18.684 -34.949 -10.297 1.00 3.13 N ATOM 1015 CA ASP A 63 -19.514 -35.680 -9.346 1.00 41.23 C ATOM 1016 C ASP A 63 -19.310 -35.153 -7.929 1.00 52.23 C ATOM 1017 O ASP A 63 -18.475 -34.279 -7.695 1.00 73.14 O ATOM 1018 CB ASP A 63 -19.192 -37.174 -9.399 1.00 71.13 C ATOM 1019 CG ASP A 63 -19.880 -37.874 -10.555 1.00 43.21 C ATOM 1020 OD1 ASP A 63 -20.715 -37.232 -11.226 1.00 12.54 O ATOM 1021 OD2 ASP A 63 -19.582 -39.063 -10.790 1.00 22.42 O ATOM 0 H ASP A 63 -17.692 -34.926 -10.060 1.00 3.13 H new ATOM 0 HA ASP A 63 -20.558 -35.531 -9.623 1.00 41.23 H new ATOM 0 HB2 ASP A 63 -18.114 -37.307 -9.487 1.00 71.13 H new ATOM 0 HB3 ASP A 63 -19.496 -37.642 -8.462 1.00 71.13 H new ATOM 1026 N SER A 64 -20.080 -35.689 -6.988 1.00 24.35 N ATOM 1027 CA SER A 64 -19.987 -35.270 -5.594 1.00 51.31 C ATOM 1028 C SER A 64 -19.726 -36.465 -4.683 1.00 35.32 C ATOM 1029 O SER A 64 -20.571 -37.350 -4.545 1.00 32.24 O ATOM 1030 CB SER A 64 -21.273 -34.559 -5.167 1.00 21.21 C ATOM 1031 OG SER A 64 -21.758 -33.718 -6.199 1.00 61.22 O ATOM 0 H SER A 64 -20.775 -36.414 -7.165 1.00 24.35 H new ATOM 0 HA SER A 64 -19.150 -34.578 -5.503 1.00 51.31 H new ATOM 0 HB2 SER A 64 -22.032 -35.298 -4.909 1.00 21.21 H new ATOM 0 HB3 SER A 64 -21.085 -33.968 -4.270 1.00 21.21 H new ATOM 0 HG SER A 64 -22.581 -33.277 -5.902 1.00 61.22 H new ATOM 1037 N ASP A 65 -18.551 -36.484 -4.064 1.00 13.13 N ATOM 1038 CA ASP A 65 -18.178 -37.570 -3.164 1.00 50.54 C ATOM 1039 C ASP A 65 -18.542 -37.230 -1.722 1.00 75.34 C ATOM 1040 O ASP A 65 -17.731 -36.679 -0.978 1.00 64.40 O ATOM 1041 CB ASP A 65 -16.679 -37.856 -3.271 1.00 34.12 C ATOM 1042 CG ASP A 65 -16.328 -39.267 -2.841 1.00 3.31 C ATOM 1043 OD1 ASP A 65 -17.122 -40.188 -3.124 1.00 2.15 O ATOM 1044 OD2 ASP A 65 -15.259 -39.449 -2.221 1.00 62.41 O ATOM 0 H ASP A 65 -17.840 -35.760 -4.169 1.00 13.13 H new ATOM 0 HA ASP A 65 -18.732 -38.461 -3.459 1.00 50.54 H new ATOM 0 HB2 ASP A 65 -16.355 -37.701 -4.300 1.00 34.12 H new ATOM 0 HB3 ASP A 65 -16.131 -37.144 -2.654 1.00 34.12 H new ATOM 1049 N THR A 66 -19.770 -37.562 -1.334 1.00 1.13 N ATOM 1050 CA THR A 66 -20.243 -37.291 0.018 1.00 51.43 C ATOM 1051 C THR A 66 -19.810 -35.905 0.484 1.00 32.52 C ATOM 1052 O THR A 66 -19.561 -35.689 1.669 1.00 23.33 O ATOM 1053 CB THR A 66 -19.723 -38.342 1.016 1.00 15.15 C ATOM 1054 OG1 THR A 66 -20.347 -38.156 2.292 1.00 5.43 O ATOM 1055 CG2 THR A 66 -18.213 -38.246 1.166 1.00 64.44 C ATOM 0 H THR A 66 -20.454 -38.019 -1.937 1.00 1.13 H new ATOM 0 HA THR A 66 -21.332 -37.337 -0.012 1.00 51.43 H new ATOM 0 HB THR A 66 -19.971 -39.331 0.631 1.00 15.15 H new ATOM 0 HG1 THR A 66 -20.270 -37.216 2.560 1.00 5.43 H new ATOM 0 HG21 THR A 66 -17.869 -38.998 1.876 1.00 64.44 H new ATOM 0 HG22 THR A 66 -17.740 -38.417 0.199 1.00 64.44 H new ATOM 0 HG23 THR A 66 -17.946 -37.254 1.531 1.00 64.44 H new ATOM 1063 N ASN A 67 -19.724 -34.970 -0.456 1.00 4.22 N ATOM 1064 CA ASN A 67 -19.321 -33.604 -0.140 1.00 64.20 C ATOM 1065 C ASN A 67 -18.101 -33.595 0.776 1.00 22.13 C ATOM 1066 O ASN A 67 -18.023 -32.804 1.717 1.00 72.42 O ATOM 1067 CB ASN A 67 -20.475 -32.850 0.522 1.00 54.30 C ATOM 1068 CG ASN A 67 -21.596 -32.538 -0.451 1.00 62.14 C ATOM 1069 OD1 ASN A 67 -21.877 -33.317 -1.362 1.00 65.41 O ATOM 1070 ND2 ASN A 67 -22.242 -31.393 -0.263 1.00 30.54 N ATOM 0 H ASN A 67 -19.928 -35.133 -1.442 1.00 4.22 H new ATOM 0 HA ASN A 67 -19.057 -33.105 -1.072 1.00 64.20 H new ATOM 0 HB2 ASN A 67 -20.868 -33.445 1.347 1.00 54.30 H new ATOM 0 HB3 ASN A 67 -20.100 -31.920 0.950 1.00 54.30 H new ATOM 0 HD21 ASN A 67 -23.005 -31.129 -0.887 1.00 30.54 H new ATOM 0 HD22 ASN A 67 -21.976 -30.777 0.505 1.00 30.54 H new ATOM 1077 N VAL A 68 -17.149 -34.480 0.495 1.00 53.53 N ATOM 1078 CA VAL A 68 -15.932 -34.573 1.292 1.00 40.32 C ATOM 1079 C VAL A 68 -15.283 -33.204 1.466 1.00 31.20 C ATOM 1080 O VAL A 68 -14.635 -32.938 2.479 1.00 54.32 O ATOM 1081 CB VAL A 68 -14.913 -35.534 0.651 1.00 54.24 C ATOM 1082 CG1 VAL A 68 -13.515 -35.264 1.184 1.00 1.24 C ATOM 1083 CG2 VAL A 68 -15.317 -36.980 0.897 1.00 13.52 C ATOM 0 H VAL A 68 -17.198 -35.143 -0.279 1.00 53.53 H new ATOM 0 HA VAL A 68 -16.222 -34.961 2.268 1.00 40.32 H new ATOM 0 HB VAL A 68 -14.904 -35.361 -0.425 1.00 54.24 H new ATOM 0 HG11 VAL A 68 -12.809 -35.953 0.720 1.00 1.24 H new ATOM 0 HG12 VAL A 68 -13.228 -34.239 0.951 1.00 1.24 H new ATOM 0 HG13 VAL A 68 -13.504 -35.407 2.265 1.00 1.24 H new ATOM 0 HG21 VAL A 68 -14.586 -37.645 0.437 1.00 13.52 H new ATOM 0 HG22 VAL A 68 -15.356 -37.169 1.970 1.00 13.52 H new ATOM 0 HG23 VAL A 68 -16.299 -37.163 0.460 1.00 13.52 H new ATOM 1093 N ILE A 69 -15.462 -32.340 0.473 1.00 64.25 N ATOM 1094 CA ILE A 69 -14.895 -30.998 0.517 1.00 63.11 C ATOM 1095 C ILE A 69 -15.591 -30.142 1.569 1.00 54.53 C ATOM 1096 O ILE A 69 -14.953 -29.629 2.488 1.00 15.43 O ATOM 1097 CB ILE A 69 -14.999 -30.297 -0.851 1.00 22.53 C ATOM 1098 CG1 ILE A 69 -14.265 -31.108 -1.921 1.00 23.23 C ATOM 1099 CG2 ILE A 69 -14.435 -28.887 -0.767 1.00 42.14 C ATOM 1100 CD1 ILE A 69 -12.806 -31.350 -1.601 1.00 33.43 C ATOM 0 H ILE A 69 -15.995 -32.545 -0.372 1.00 64.25 H new ATOM 0 HA ILE A 69 -13.843 -31.108 0.780 1.00 63.11 H new ATOM 0 HB ILE A 69 -16.051 -30.231 -1.130 1.00 22.53 H new ATOM 0 HG12 ILE A 69 -14.766 -32.068 -2.045 1.00 23.23 H new ATOM 0 HG13 ILE A 69 -14.338 -30.586 -2.875 1.00 23.23 H new ATOM 0 HG21 ILE A 69 -14.515 -28.404 -1.741 1.00 42.14 H new ATOM 0 HG22 ILE A 69 -14.997 -28.313 -0.030 1.00 42.14 H new ATOM 0 HG23 ILE A 69 -13.387 -28.931 -0.469 1.00 42.14 H new ATOM 0 HD11 ILE A 69 -12.349 -31.931 -2.402 1.00 33.43 H new ATOM 0 HD12 ILE A 69 -12.291 -30.394 -1.506 1.00 33.43 H new ATOM 0 HD13 ILE A 69 -12.726 -31.900 -0.663 1.00 33.43 H new ATOM 1112 N ASP A 70 -16.904 -29.993 1.428 1.00 42.54 N ATOM 1113 CA ASP A 70 -17.689 -29.200 2.367 1.00 21.52 C ATOM 1114 C ASP A 70 -17.537 -29.735 3.788 1.00 42.20 C ATOM 1115 O ASP A 70 -17.573 -28.974 4.756 1.00 65.54 O ATOM 1116 CB ASP A 70 -19.164 -29.204 1.963 1.00 61.42 C ATOM 1117 CG ASP A 70 -19.922 -28.019 2.527 1.00 41.34 C ATOM 1118 OD1 ASP A 70 -19.949 -26.962 1.862 1.00 4.23 O ATOM 1119 OD2 ASP A 70 -20.488 -28.147 3.633 1.00 61.34 O ATOM 0 H ASP A 70 -17.447 -30.411 0.672 1.00 42.54 H new ATOM 0 HA ASP A 70 -17.316 -28.176 2.341 1.00 21.52 H new ATOM 0 HB2 ASP A 70 -19.240 -29.196 0.876 1.00 61.42 H new ATOM 0 HB3 ASP A 70 -19.630 -30.127 2.308 1.00 61.42 H new ATOM 1124 N VAL A 71 -17.368 -31.048 3.906 1.00 20.01 N ATOM 1125 CA VAL A 71 -17.211 -31.685 5.208 1.00 5.53 C ATOM 1126 C VAL A 71 -15.817 -31.438 5.775 1.00 20.54 C ATOM 1127 O VAL A 71 -15.632 -31.378 6.990 1.00 21.25 O ATOM 1128 CB VAL A 71 -17.458 -33.202 5.125 1.00 71.53 C ATOM 1129 CG1 VAL A 71 -17.280 -33.849 6.490 1.00 12.32 C ATOM 1130 CG2 VAL A 71 -18.845 -33.486 4.568 1.00 13.33 C ATOM 0 H VAL A 71 -17.336 -31.692 3.115 1.00 20.01 H new ATOM 0 HA VAL A 71 -17.954 -31.240 5.870 1.00 5.53 H new ATOM 0 HB VAL A 71 -16.723 -33.635 4.447 1.00 71.53 H new ATOM 0 HG11 VAL A 71 -17.459 -34.921 6.410 1.00 12.32 H new ATOM 0 HG12 VAL A 71 -16.264 -33.676 6.845 1.00 12.32 H new ATOM 0 HG13 VAL A 71 -17.989 -33.414 7.194 1.00 12.32 H new ATOM 0 HG21 VAL A 71 -19.003 -34.563 4.516 1.00 13.33 H new ATOM 0 HG22 VAL A 71 -19.597 -33.040 5.219 1.00 13.33 H new ATOM 0 HG23 VAL A 71 -18.930 -33.058 3.569 1.00 13.33 H new ATOM 1140 N ALA A 72 -14.839 -31.296 4.887 1.00 71.54 N ATOM 1141 CA ALA A 72 -13.462 -31.054 5.298 1.00 20.23 C ATOM 1142 C ALA A 72 -13.307 -29.664 5.906 1.00 70.04 C ATOM 1143 O ALA A 72 -12.576 -29.479 6.879 1.00 41.54 O ATOM 1144 CB ALA A 72 -12.520 -31.223 4.115 1.00 30.44 C ATOM 0 H ALA A 72 -14.975 -31.344 3.877 1.00 71.54 H new ATOM 0 HA ALA A 72 -13.203 -31.787 6.062 1.00 20.23 H new ATOM 0 HB1 ALA A 72 -11.495 -31.039 4.437 1.00 30.44 H new ATOM 0 HB2 ALA A 72 -12.602 -32.238 3.727 1.00 30.44 H new ATOM 0 HB3 ALA A 72 -12.787 -30.513 3.333 1.00 30.44 H new ATOM 1150 N VAL A 73 -13.999 -28.689 5.325 1.00 73.00 N ATOM 1151 CA VAL A 73 -13.939 -27.315 5.809 1.00 23.25 C ATOM 1152 C VAL A 73 -14.778 -27.140 7.070 1.00 1.41 C ATOM 1153 O VAL A 73 -14.417 -26.378 7.967 1.00 1.42 O ATOM 1154 CB VAL A 73 -14.426 -26.321 4.739 1.00 2.41 C ATOM 1155 CG1 VAL A 73 -15.854 -26.639 4.324 1.00 30.51 C ATOM 1156 CG2 VAL A 73 -14.317 -24.892 5.251 1.00 61.12 C ATOM 0 H VAL A 73 -14.608 -28.825 4.518 1.00 73.00 H new ATOM 0 HA VAL A 73 -12.894 -27.106 6.039 1.00 23.25 H new ATOM 0 HB VAL A 73 -13.788 -26.419 3.861 1.00 2.41 H new ATOM 0 HG11 VAL A 73 -16.180 -25.926 3.567 1.00 30.51 H new ATOM 0 HG12 VAL A 73 -15.898 -27.648 3.914 1.00 30.51 H new ATOM 0 HG13 VAL A 73 -16.509 -26.571 5.193 1.00 30.51 H new ATOM 0 HG21 VAL A 73 -14.665 -24.202 4.482 1.00 61.12 H new ATOM 0 HG22 VAL A 73 -14.930 -24.778 6.145 1.00 61.12 H new ATOM 0 HG23 VAL A 73 -13.278 -24.671 5.493 1.00 61.12 H new ATOM 1166 N ARG A 74 -15.899 -27.850 7.132 1.00 73.05 N ATOM 1167 CA ARG A 74 -16.791 -27.772 8.282 1.00 21.34 C ATOM 1168 C ARG A 74 -16.214 -28.537 9.470 1.00 61.42 C ATOM 1169 O ARG A 74 -16.324 -28.100 10.615 1.00 22.04 O ATOM 1170 CB ARG A 74 -18.170 -28.329 7.925 1.00 70.44 C ATOM 1171 CG ARG A 74 -18.966 -27.431 6.992 1.00 34.50 C ATOM 1172 CD ARG A 74 -19.606 -26.275 7.744 1.00 44.50 C ATOM 1173 NE ARG A 74 -20.540 -25.527 6.907 1.00 74.42 N ATOM 1174 CZ ARG A 74 -21.774 -25.938 6.636 1.00 14.04 C ATOM 1175 NH1 ARG A 74 -22.220 -27.083 7.135 1.00 40.10 N ATOM 1176 NH2 ARG A 74 -22.566 -25.202 5.866 1.00 22.41 N ATOM 0 H ARG A 74 -16.211 -28.486 6.399 1.00 73.05 H new ATOM 0 HA ARG A 74 -16.892 -26.723 8.561 1.00 21.34 H new ATOM 0 HB2 ARG A 74 -18.048 -29.307 7.459 1.00 70.44 H new ATOM 0 HB3 ARG A 74 -18.739 -28.482 8.842 1.00 70.44 H new ATOM 0 HG2 ARG A 74 -18.311 -27.041 6.213 1.00 34.50 H new ATOM 0 HG3 ARG A 74 -19.740 -28.016 6.495 1.00 34.50 H new ATOM 0 HD2 ARG A 74 -20.131 -26.658 8.619 1.00 44.50 H new ATOM 0 HD3 ARG A 74 -18.828 -25.604 8.107 1.00 44.50 H new ATOM 0 HE ARG A 74 -20.228 -24.641 6.509 1.00 74.42 H new ATOM 0 HH11 ARG A 74 -21.615 -27.651 7.729 1.00 40.10 H new ATOM 0 HH12 ARG A 74 -23.168 -27.396 6.925 1.00 40.10 H new ATOM 0 HH21 ARG A 74 -22.227 -24.320 5.482 1.00 22.41 H new ATOM 0 HH22 ARG A 74 -23.513 -25.519 5.659 1.00 22.41 H new ATOM 1190 N ARG A 75 -15.600 -29.682 9.188 1.00 44.32 N ATOM 1191 CA ARG A 75 -15.007 -30.508 10.232 1.00 30.33 C ATOM 1192 C ARG A 75 -13.778 -29.830 10.831 1.00 14.11 C ATOM 1193 O ARG A 75 -13.564 -29.867 12.043 1.00 32.35 O ATOM 1194 CB ARG A 75 -14.623 -31.879 9.671 1.00 15.14 C ATOM 1195 CG ARG A 75 -13.398 -31.848 8.772 1.00 15.12 C ATOM 1196 CD ARG A 75 -13.093 -33.223 8.199 1.00 20.03 C ATOM 1197 NE ARG A 75 -12.808 -34.201 9.246 1.00 44.11 N ATOM 1198 CZ ARG A 75 -12.342 -35.421 9.004 1.00 23.22 C ATOM 1199 NH1 ARG A 75 -12.109 -35.811 7.758 1.00 34.04 N ATOM 1200 NH2 ARG A 75 -12.107 -36.254 10.010 1.00 64.10 N ATOM 0 H ARG A 75 -15.501 -30.058 8.245 1.00 44.32 H new ATOM 0 HA ARG A 75 -15.748 -30.639 11.020 1.00 30.33 H new ATOM 0 HB2 ARG A 75 -14.438 -32.562 10.500 1.00 15.14 H new ATOM 0 HB3 ARG A 75 -15.466 -32.281 9.109 1.00 15.14 H new ATOM 0 HG2 ARG A 75 -13.560 -31.141 7.958 1.00 15.12 H new ATOM 0 HG3 ARG A 75 -12.538 -31.490 9.339 1.00 15.12 H new ATOM 0 HD2 ARG A 75 -13.941 -33.564 7.605 1.00 20.03 H new ATOM 0 HD3 ARG A 75 -12.239 -33.154 7.525 1.00 20.03 H new ATOM 0 HE ARG A 75 -12.976 -33.932 10.216 1.00 44.11 H new ATOM 0 HH11 ARG A 75 -12.288 -35.173 6.982 1.00 34.04 H new ATOM 0 HH12 ARG A 75 -11.751 -36.749 7.576 1.00 34.04 H new ATOM 0 HH21 ARG A 75 -12.284 -35.957 10.970 1.00 64.10 H new ATOM 0 HH22 ARG A 75 -11.749 -37.191 9.823 1.00 64.10 H new ATOM 1214 N LEU A 76 -12.974 -29.211 9.974 1.00 72.12 N ATOM 1215 CA LEU A 76 -11.766 -28.524 10.417 1.00 30.24 C ATOM 1216 C LEU A 76 -12.112 -27.229 11.145 1.00 31.23 C ATOM 1217 O LEU A 76 -11.431 -26.837 12.093 1.00 32.32 O ATOM 1218 CB LEU A 76 -10.858 -28.224 9.223 1.00 34.41 C ATOM 1219 CG LEU A 76 -11.062 -26.867 8.549 1.00 74.20 C ATOM 1220 CD1 LEU A 76 -10.314 -25.779 9.303 1.00 41.12 C ATOM 1221 CD2 LEU A 76 -10.611 -26.920 7.097 1.00 41.23 C ATOM 0 H LEU A 76 -13.137 -29.171 8.968 1.00 72.12 H new ATOM 0 HA LEU A 76 -11.239 -29.180 11.110 1.00 30.24 H new ATOM 0 HB2 LEU A 76 -9.822 -28.290 9.554 1.00 34.41 H new ATOM 0 HB3 LEU A 76 -11.004 -29.004 8.476 1.00 34.41 H new ATOM 0 HG LEU A 76 -12.125 -26.628 8.569 1.00 74.20 H new ATOM 0 HD11 LEU A 76 -10.471 -24.820 8.809 1.00 41.12 H new ATOM 0 HD12 LEU A 76 -10.685 -25.725 10.326 1.00 41.12 H new ATOM 0 HD13 LEU A 76 -9.249 -26.011 9.315 1.00 41.12 H new ATOM 0 HD21 LEU A 76 -10.763 -25.946 6.633 1.00 41.23 H new ATOM 0 HD22 LEU A 76 -9.554 -27.181 7.054 1.00 41.23 H new ATOM 0 HD23 LEU A 76 -11.192 -27.671 6.563 1.00 41.23 H new ATOM 1233 N ARG A 77 -13.176 -26.570 10.697 1.00 63.41 N ATOM 1234 CA ARG A 77 -13.613 -25.320 11.306 1.00 22.22 C ATOM 1235 C ARG A 77 -14.035 -25.540 12.756 1.00 70.41 C ATOM 1236 O ARG A 77 -13.637 -24.793 13.649 1.00 14.52 O ATOM 1237 CB ARG A 77 -14.774 -24.719 10.511 1.00 24.35 C ATOM 1238 CG ARG A 77 -15.182 -23.334 10.984 1.00 54.41 C ATOM 1239 CD ARG A 77 -16.319 -23.402 11.991 1.00 14.55 C ATOM 1240 NE ARG A 77 -17.625 -23.258 11.354 1.00 53.24 N ATOM 1241 CZ ARG A 77 -18.736 -22.950 12.014 1.00 21.12 C ATOM 1242 NH1 ARG A 77 -18.699 -22.754 13.325 1.00 21.50 N ATOM 1243 NH2 ARG A 77 -19.887 -22.837 11.363 1.00 23.14 N ATOM 0 H ARG A 77 -13.751 -26.881 9.914 1.00 63.41 H new ATOM 0 HA ARG A 77 -12.774 -24.625 11.291 1.00 22.22 H new ATOM 0 HB2 ARG A 77 -14.494 -24.667 9.459 1.00 24.35 H new ATOM 0 HB3 ARG A 77 -15.634 -25.385 10.580 1.00 24.35 H new ATOM 0 HG2 ARG A 77 -14.324 -22.835 11.435 1.00 54.41 H new ATOM 0 HG3 ARG A 77 -15.488 -22.732 10.129 1.00 54.41 H new ATOM 0 HD2 ARG A 77 -16.277 -24.354 12.521 1.00 14.55 H new ATOM 0 HD3 ARG A 77 -16.191 -22.617 12.736 1.00 14.55 H new ATOM 0 HE ARG A 77 -17.688 -23.402 10.346 1.00 53.24 H new ATOM 0 HH11 ARG A 77 -17.816 -22.840 13.829 1.00 21.50 H new ATOM 0 HH12 ARG A 77 -19.553 -22.518 13.830 1.00 21.50 H new ATOM 0 HH21 ARG A 77 -19.919 -22.987 10.355 1.00 23.14 H new ATOM 0 HH22 ARG A 77 -20.739 -22.600 11.871 1.00 23.14 H new ATOM 1257 N SER A 78 -14.843 -26.571 12.981 1.00 33.15 N ATOM 1258 CA SER A 78 -15.323 -26.887 14.322 1.00 72.33 C ATOM 1259 C SER A 78 -14.275 -27.673 15.103 1.00 64.53 C ATOM 1260 O SER A 78 -14.502 -28.068 16.247 1.00 64.24 O ATOM 1261 CB SER A 78 -16.625 -27.688 14.245 1.00 65.03 C ATOM 1262 OG SER A 78 -17.260 -27.751 15.510 1.00 61.43 O ATOM 0 H SER A 78 -15.179 -27.201 12.253 1.00 33.15 H new ATOM 0 HA SER A 78 -15.512 -25.949 14.844 1.00 72.33 H new ATOM 0 HB2 SER A 78 -17.296 -27.228 13.520 1.00 65.03 H new ATOM 0 HB3 SER A 78 -16.415 -28.697 13.889 1.00 65.03 H new ATOM 0 HG SER A 78 -16.810 -27.142 16.133 1.00 61.43 H new ATOM 1268 N LYS A 79 -13.124 -27.898 14.476 1.00 15.32 N ATOM 1269 CA LYS A 79 -12.038 -28.635 15.110 1.00 33.33 C ATOM 1270 C LYS A 79 -11.156 -27.703 15.934 1.00 22.02 C ATOM 1271 O LYS A 79 -10.715 -28.057 17.028 1.00 10.32 O ATOM 1272 CB LYS A 79 -11.195 -29.351 14.053 1.00 42.02 C ATOM 1273 CG LYS A 79 -11.470 -30.842 13.962 1.00 23.05 C ATOM 1274 CD LYS A 79 -10.803 -31.459 12.744 1.00 31.14 C ATOM 1275 CE LYS A 79 -10.732 -32.974 12.855 1.00 35.44 C ATOM 1276 NZ LYS A 79 -9.939 -33.575 11.748 1.00 24.30 N ATOM 0 H LYS A 79 -12.920 -27.580 13.529 1.00 15.32 H new ATOM 0 HA LYS A 79 -12.477 -29.376 15.779 1.00 33.33 H new ATOM 0 HB2 LYS A 79 -11.383 -28.896 13.081 1.00 42.02 H new ATOM 0 HB3 LYS A 79 -10.139 -29.198 14.278 1.00 42.02 H new ATOM 0 HG2 LYS A 79 -11.109 -31.335 14.865 1.00 23.05 H new ATOM 0 HG3 LYS A 79 -12.546 -31.012 13.914 1.00 23.05 H new ATOM 0 HD2 LYS A 79 -11.357 -31.184 11.846 1.00 31.14 H new ATOM 0 HD3 LYS A 79 -9.797 -31.054 12.634 1.00 31.14 H new ATOM 0 HE2 LYS A 79 -10.286 -33.247 13.811 1.00 35.44 H new ATOM 0 HE3 LYS A 79 -11.741 -33.386 12.844 1.00 35.44 H new ATOM 0 HZ1 LYS A 79 -9.915 -34.609 11.860 1.00 24.30 H new ATOM 0 HZ2 LYS A 79 -10.379 -33.336 10.836 1.00 24.30 H new ATOM 0 HZ3 LYS A 79 -8.969 -33.201 11.773 1.00 24.30 H new ATOM 1290 N ILE A 80 -10.903 -26.512 15.403 1.00 54.33 N ATOM 1291 CA ILE A 80 -10.076 -25.529 16.091 1.00 40.42 C ATOM 1292 C ILE A 80 -10.702 -24.140 16.023 1.00 4.40 C ATOM 1293 O ILE A 80 -10.749 -23.420 17.021 1.00 41.55 O ATOM 1294 CB ILE A 80 -8.657 -25.470 15.494 1.00 74.11 C ATOM 1295 CG1 ILE A 80 -7.855 -24.338 16.139 1.00 32.44 C ATOM 1296 CG2 ILE A 80 -8.725 -25.285 13.985 1.00 22.33 C ATOM 1297 CD1 ILE A 80 -7.754 -24.452 17.644 1.00 5.04 C ATOM 0 H ILE A 80 -11.259 -26.204 14.498 1.00 54.33 H new ATOM 0 HA ILE A 80 -10.010 -25.845 17.132 1.00 40.42 H new ATOM 0 HB ILE A 80 -8.151 -26.413 15.703 1.00 74.11 H new ATOM 0 HG12 ILE A 80 -6.851 -24.327 15.715 1.00 32.44 H new ATOM 0 HG13 ILE A 80 -8.318 -23.385 15.885 1.00 32.44 H new ATOM 0 HG21 ILE A 80 -7.715 -25.245 13.577 1.00 22.33 H new ATOM 0 HG22 ILE A 80 -9.263 -26.122 13.540 1.00 22.33 H new ATOM 0 HG23 ILE A 80 -9.246 -24.355 13.756 1.00 22.33 H new ATOM 0 HD11 ILE A 80 -7.172 -23.617 18.034 1.00 5.04 H new ATOM 0 HD12 ILE A 80 -8.754 -24.432 18.078 1.00 5.04 H new ATOM 0 HD13 ILE A 80 -7.263 -25.389 17.906 1.00 5.04 H new ATOM 1309 N ASP A 81 -11.182 -23.770 14.841 1.00 70.31 N ATOM 1310 CA ASP A 81 -11.808 -22.468 14.643 1.00 71.21 C ATOM 1311 C ASP A 81 -12.998 -22.289 15.581 1.00 61.13 C ATOM 1312 O ASP A 81 -13.378 -21.165 15.910 1.00 71.34 O ATOM 1313 CB ASP A 81 -12.260 -22.311 13.190 1.00 22.41 C ATOM 1314 CG ASP A 81 -12.001 -20.918 12.651 1.00 74.34 C ATOM 1315 OD1 ASP A 81 -10.862 -20.654 12.214 1.00 1.40 O ATOM 1316 OD2 ASP A 81 -12.938 -20.092 12.666 1.00 73.52 O ATOM 0 H ASP A 81 -11.150 -24.354 14.005 1.00 70.31 H new ATOM 0 HA ASP A 81 -11.070 -21.699 14.871 1.00 71.21 H new ATOM 0 HB2 ASP A 81 -11.739 -23.040 12.570 1.00 22.41 H new ATOM 0 HB3 ASP A 81 -13.325 -22.533 13.118 1.00 22.41 H new ATOM 1321 N ASP A 82 -13.582 -23.404 16.006 1.00 1.35 N ATOM 1322 CA ASP A 82 -14.729 -23.370 16.907 1.00 61.25 C ATOM 1323 C ASP A 82 -14.431 -22.517 18.135 1.00 3.42 C ATOM 1324 O ASP A 82 -15.333 -21.920 18.722 1.00 12.35 O ATOM 1325 CB ASP A 82 -15.109 -24.788 17.335 1.00 32.24 C ATOM 1326 CG ASP A 82 -16.610 -24.983 17.425 1.00 70.13 C ATOM 1327 OD1 ASP A 82 -17.345 -23.976 17.346 1.00 31.35 O ATOM 1328 OD2 ASP A 82 -17.050 -26.142 17.572 1.00 64.41 O ATOM 0 H ASP A 82 -13.281 -24.342 15.742 1.00 1.35 H new ATOM 0 HA ASP A 82 -15.567 -22.923 16.372 1.00 61.25 H new ATOM 0 HB2 ASP A 82 -14.695 -25.502 16.624 1.00 32.24 H new ATOM 0 HB3 ASP A 82 -14.659 -25.005 18.304 1.00 32.24 H new ATOM 1333 N ASP A 83 -13.160 -22.464 18.519 1.00 61.54 N ATOM 1334 CA ASP A 83 -12.742 -21.684 19.678 1.00 74.04 C ATOM 1335 C ASP A 83 -11.529 -20.823 19.344 1.00 45.50 C ATOM 1336 O ASP A 83 -10.758 -20.448 20.228 1.00 12.33 O ATOM 1337 CB ASP A 83 -12.420 -22.609 20.852 1.00 3.35 C ATOM 1338 CG ASP A 83 -12.580 -21.919 22.193 1.00 21.00 C ATOM 1339 OD1 ASP A 83 -13.153 -20.810 22.225 1.00 2.52 O ATOM 1340 OD2 ASP A 83 -12.133 -22.489 23.210 1.00 33.11 O ATOM 0 H ASP A 83 -12.401 -22.952 18.044 1.00 61.54 H new ATOM 0 HA ASP A 83 -13.565 -21.027 19.959 1.00 74.04 H new ATOM 0 HB2 ASP A 83 -13.074 -23.480 20.814 1.00 3.35 H new ATOM 0 HB3 ASP A 83 -11.397 -22.974 20.754 1.00 3.35 H new ATOM 1345 N PHE A 84 -11.363 -20.513 18.062 1.00 15.23 N ATOM 1346 CA PHE A 84 -10.242 -19.697 17.611 1.00 21.22 C ATOM 1347 C PHE A 84 -10.734 -18.456 16.872 1.00 34.24 C ATOM 1348 O PHE A 84 -10.219 -17.357 17.073 1.00 61.00 O ATOM 1349 CB PHE A 84 -9.323 -20.515 16.701 1.00 4.24 C ATOM 1350 CG PHE A 84 -8.034 -20.918 17.358 1.00 23.35 C ATOM 1351 CD1 PHE A 84 -8.021 -21.376 18.666 1.00 31.41 C ATOM 1352 CD2 PHE A 84 -6.835 -20.840 16.668 1.00 22.14 C ATOM 1353 CE1 PHE A 84 -6.836 -21.748 19.273 1.00 12.41 C ATOM 1354 CE2 PHE A 84 -5.647 -21.210 17.270 1.00 22.31 C ATOM 1355 CZ PHE A 84 -5.648 -21.666 18.574 1.00 42.30 C ATOM 0 H PHE A 84 -11.991 -20.815 17.317 1.00 15.23 H new ATOM 0 HA PHE A 84 -9.682 -19.376 18.489 1.00 21.22 H new ATOM 0 HB2 PHE A 84 -9.851 -21.411 16.375 1.00 4.24 H new ATOM 0 HB3 PHE A 84 -9.099 -19.934 15.806 1.00 4.24 H new ATOM 0 HD1 PHE A 84 -8.947 -21.443 19.217 1.00 31.41 H new ATOM 0 HD2 PHE A 84 -6.829 -20.486 15.648 1.00 22.14 H new ATOM 0 HE1 PHE A 84 -6.839 -22.102 20.293 1.00 12.41 H new ATOM 0 HE2 PHE A 84 -4.719 -21.143 16.722 1.00 22.31 H new ATOM 0 HZ PHE A 84 -4.721 -21.958 19.046 1.00 42.30 H new ATOM 1365 N GLU A 85 -11.735 -18.642 16.017 1.00 31.02 N ATOM 1366 CA GLU A 85 -12.296 -17.538 15.247 1.00 12.14 C ATOM 1367 C GLU A 85 -13.775 -17.775 14.954 1.00 22.30 C ATOM 1368 O GLU A 85 -14.276 -18.898 15.026 1.00 5.33 O ATOM 1369 CB GLU A 85 -11.527 -17.358 13.937 1.00 73.23 C ATOM 1370 CG GLU A 85 -10.467 -16.272 13.997 1.00 24.03 C ATOM 1371 CD GLU A 85 -10.354 -15.494 12.701 1.00 41.41 C ATOM 1372 OE1 GLU A 85 -10.693 -16.058 11.639 1.00 0.15 O ATOM 1373 OE2 GLU A 85 -9.927 -14.321 12.747 1.00 21.23 O ATOM 0 H GLU A 85 -12.174 -19.546 15.840 1.00 31.02 H new ATOM 0 HA GLU A 85 -12.203 -16.629 15.842 1.00 12.14 H new ATOM 0 HB2 GLU A 85 -11.052 -18.303 13.672 1.00 73.23 H new ATOM 0 HB3 GLU A 85 -12.233 -17.121 13.141 1.00 73.23 H new ATOM 0 HG2 GLU A 85 -10.702 -15.585 14.810 1.00 24.03 H new ATOM 0 HG3 GLU A 85 -9.503 -16.723 14.231 1.00 24.03 H new ATOM 1380 N PRO A 86 -14.491 -16.693 14.615 1.00 34.33 N ATOM 1381 CA PRO A 86 -15.923 -16.757 14.304 1.00 25.32 C ATOM 1382 C PRO A 86 -16.198 -17.473 12.986 1.00 22.23 C ATOM 1383 O PRO A 86 -15.278 -17.958 12.327 1.00 40.32 O ATOM 1384 CB PRO A 86 -16.331 -15.285 14.209 1.00 61.24 C ATOM 1385 CG PRO A 86 -15.077 -14.567 13.846 1.00 1.04 C ATOM 1386 CD PRO A 86 -13.960 -15.324 14.509 1.00 23.24 C ATOM 0 HA PRO A 86 -16.479 -17.320 15.054 1.00 25.32 H new ATOM 0 HB2 PRO A 86 -17.105 -15.136 13.456 1.00 61.24 H new ATOM 0 HB3 PRO A 86 -16.734 -14.924 15.155 1.00 61.24 H new ATOM 0 HG2 PRO A 86 -14.942 -14.540 12.765 1.00 1.04 H new ATOM 0 HG3 PRO A 86 -15.106 -13.533 14.190 1.00 1.04 H new ATOM 0 HD2 PRO A 86 -13.046 -15.292 13.916 1.00 23.24 H new ATOM 0 HD3 PRO A 86 -13.719 -14.909 15.488 1.00 23.24 H new ATOM 1394 N LYS A 87 -17.470 -17.536 12.607 1.00 23.20 N ATOM 1395 CA LYS A 87 -17.867 -18.191 11.367 1.00 71.34 C ATOM 1396 C LYS A 87 -17.347 -17.424 10.155 1.00 22.22 C ATOM 1397 O LYS A 87 -18.006 -16.511 9.656 1.00 63.12 O ATOM 1398 CB LYS A 87 -19.391 -18.309 11.293 1.00 12.52 C ATOM 1399 CG LYS A 87 -20.116 -17.002 11.568 1.00 24.11 C ATOM 1400 CD LYS A 87 -21.169 -16.716 10.512 1.00 54.35 C ATOM 1401 CE LYS A 87 -21.483 -15.230 10.425 1.00 0.15 C ATOM 1402 NZ LYS A 87 -20.903 -14.611 9.202 1.00 41.43 N ATOM 0 H LYS A 87 -18.244 -17.141 13.141 1.00 23.20 H new ATOM 0 HA LYS A 87 -17.430 -19.190 11.358 1.00 71.34 H new ATOM 0 HB2 LYS A 87 -19.672 -18.669 10.303 1.00 12.52 H new ATOM 0 HB3 LYS A 87 -19.724 -19.058 12.011 1.00 12.52 H new ATOM 0 HG2 LYS A 87 -20.587 -17.046 12.550 1.00 24.11 H new ATOM 0 HG3 LYS A 87 -19.396 -16.184 11.596 1.00 24.11 H new ATOM 0 HD2 LYS A 87 -20.820 -17.072 9.543 1.00 54.35 H new ATOM 0 HD3 LYS A 87 -22.079 -17.268 10.746 1.00 54.35 H new ATOM 0 HE2 LYS A 87 -22.564 -15.087 10.427 1.00 0.15 H new ATOM 0 HE3 LYS A 87 -21.093 -14.724 11.308 1.00 0.15 H new ATOM 0 HZ1 LYS A 87 -21.139 -13.598 9.180 1.00 41.43 H new ATOM 0 HZ2 LYS A 87 -19.869 -14.725 9.212 1.00 41.43 H new ATOM 0 HZ3 LYS A 87 -21.295 -15.076 8.358 1.00 41.43 H new ATOM 1416 N LEU A 88 -16.162 -17.801 9.686 1.00 35.12 N ATOM 1417 CA LEU A 88 -15.554 -17.149 8.531 1.00 32.34 C ATOM 1418 C LEU A 88 -15.825 -17.939 7.255 1.00 21.30 C ATOM 1419 O LEU A 88 -15.199 -17.702 6.222 1.00 44.52 O ATOM 1420 CB LEU A 88 -14.047 -16.999 8.742 1.00 45.35 C ATOM 1421 CG LEU A 88 -13.595 -15.740 9.483 1.00 44.12 C ATOM 1422 CD1 LEU A 88 -13.671 -15.950 10.987 1.00 23.01 C ATOM 1423 CD2 LEU A 88 -12.182 -15.354 9.067 1.00 34.30 C ATOM 0 H LEU A 88 -15.604 -18.554 10.088 1.00 35.12 H new ATOM 0 HA LEU A 88 -16.000 -16.160 8.425 1.00 32.34 H new ATOM 0 HB2 LEU A 88 -13.689 -17.869 9.293 1.00 45.35 H new ATOM 0 HB3 LEU A 88 -13.560 -17.017 7.767 1.00 45.35 H new ATOM 0 HG LEU A 88 -14.266 -14.924 9.216 1.00 44.12 H new ATOM 0 HD11 LEU A 88 -13.346 -15.044 11.498 1.00 23.01 H new ATOM 0 HD12 LEU A 88 -14.698 -16.178 11.271 1.00 23.01 H new ATOM 0 HD13 LEU A 88 -13.024 -16.779 11.272 1.00 23.01 H new ATOM 0 HD21 LEU A 88 -11.877 -14.456 9.604 1.00 34.30 H new ATOM 0 HD22 LEU A 88 -11.498 -16.169 9.304 1.00 34.30 H new ATOM 0 HD23 LEU A 88 -12.158 -15.161 7.995 1.00 34.30 H new ATOM 1435 N ILE A 89 -16.762 -18.878 7.334 1.00 53.43 N ATOM 1436 CA ILE A 89 -17.118 -19.700 6.184 1.00 40.21 C ATOM 1437 C ILE A 89 -18.450 -19.261 5.585 1.00 10.02 C ATOM 1438 O ILE A 89 -19.443 -19.110 6.297 1.00 35.32 O ATOM 1439 CB ILE A 89 -17.204 -21.190 6.563 1.00 73.14 C ATOM 1440 CG1 ILE A 89 -15.868 -21.672 7.132 1.00 34.20 C ATOM 1441 CG2 ILE A 89 -17.602 -22.022 5.352 1.00 5.04 C ATOM 1442 CD1 ILE A 89 -15.892 -23.113 7.591 1.00 70.53 C ATOM 0 H ILE A 89 -17.288 -19.088 8.182 1.00 53.43 H new ATOM 0 HA ILE A 89 -16.329 -19.567 5.444 1.00 40.21 H new ATOM 0 HB ILE A 89 -17.969 -21.311 7.330 1.00 73.14 H new ATOM 0 HG12 ILE A 89 -15.095 -21.554 6.373 1.00 34.20 H new ATOM 0 HG13 ILE A 89 -15.589 -21.036 7.972 1.00 34.20 H new ATOM 0 HG21 ILE A 89 -17.659 -23.073 5.635 1.00 5.04 H new ATOM 0 HG22 ILE A 89 -18.575 -21.692 4.987 1.00 5.04 H new ATOM 0 HG23 ILE A 89 -16.858 -21.898 4.565 1.00 5.04 H new ATOM 0 HD11 ILE A 89 -14.912 -23.387 7.982 1.00 70.53 H new ATOM 0 HD12 ILE A 89 -16.642 -23.233 8.373 1.00 70.53 H new ATOM 0 HD13 ILE A 89 -16.139 -23.759 6.749 1.00 70.53 H new ATOM 1454 N HIS A 90 -18.464 -19.059 4.271 1.00 13.25 N ATOM 1455 CA HIS A 90 -19.676 -18.640 3.576 1.00 44.54 C ATOM 1456 C HIS A 90 -19.790 -19.329 2.220 1.00 64.45 C ATOM 1457 O HIS A 90 -18.797 -19.494 1.509 1.00 32.41 O ATOM 1458 CB HIS A 90 -19.684 -17.122 3.391 1.00 43.20 C ATOM 1459 CG HIS A 90 -21.042 -16.508 3.536 1.00 10.15 C ATOM 1460 ND1 HIS A 90 -21.530 -16.036 4.737 1.00 40.02 N ATOM 1461 CD2 HIS A 90 -22.017 -16.288 2.623 1.00 23.24 C ATOM 1462 CE1 HIS A 90 -22.747 -15.554 4.556 1.00 63.20 C ATOM 1463 NE2 HIS A 90 -23.065 -15.695 3.282 1.00 55.21 N ATOM 0 H HIS A 90 -17.651 -19.179 3.667 1.00 13.25 H new ATOM 0 HA HIS A 90 -20.533 -18.929 4.185 1.00 44.54 H new ATOM 0 HB2 HIS A 90 -19.011 -16.672 4.121 1.00 43.20 H new ATOM 0 HB3 HIS A 90 -19.290 -16.883 2.403 1.00 43.20 H new ATOM 0 HD2 HIS A 90 -21.978 -16.533 1.572 1.00 23.24 H new ATOM 0 HE1 HIS A 90 -23.375 -15.119 5.320 1.00 63.20 H new ATOM 0 HE2 HIS A 90 -23.947 -15.409 2.856 1.00 55.21 H new ATOM 1471 N THR A 91 -21.006 -19.732 1.866 1.00 54.11 N ATOM 1472 CA THR A 91 -21.250 -20.406 0.597 1.00 42.43 C ATOM 1473 C THR A 91 -22.374 -19.728 -0.178 1.00 73.53 C ATOM 1474 O THR A 91 -23.529 -19.738 0.248 1.00 12.02 O ATOM 1475 CB THR A 91 -21.608 -21.889 0.808 1.00 44.14 C ATOM 1476 OG1 THR A 91 -20.467 -22.603 1.296 1.00 20.33 O ATOM 1477 CG2 THR A 91 -22.089 -22.519 -0.491 1.00 31.25 C ATOM 0 H THR A 91 -21.838 -19.603 2.441 1.00 54.11 H new ATOM 0 HA THR A 91 -20.326 -20.342 0.022 1.00 42.43 H new ATOM 0 HB THR A 91 -22.413 -21.946 1.541 1.00 44.14 H new ATOM 0 HG1 THR A 91 -20.703 -23.545 1.429 1.00 20.33 H new ATOM 0 HG21 THR A 91 -22.336 -23.566 -0.318 1.00 31.25 H new ATOM 0 HG22 THR A 91 -22.974 -21.991 -0.845 1.00 31.25 H new ATOM 0 HG23 THR A 91 -21.302 -22.451 -1.242 1.00 31.25 H new ATOM 1485 N VAL A 92 -22.030 -19.141 -1.320 1.00 60.41 N ATOM 1486 CA VAL A 92 -23.012 -18.461 -2.156 1.00 45.22 C ATOM 1487 C VAL A 92 -23.858 -19.461 -2.936 1.00 23.14 C ATOM 1488 O VAL A 92 -23.352 -20.176 -3.801 1.00 52.33 O ATOM 1489 CB VAL A 92 -22.333 -17.497 -3.148 1.00 25.15 C ATOM 1490 CG1 VAL A 92 -23.375 -16.700 -3.916 1.00 50.25 C ATOM 1491 CG2 VAL A 92 -21.373 -16.570 -2.416 1.00 71.25 C ATOM 0 H VAL A 92 -21.079 -19.123 -1.687 1.00 60.41 H new ATOM 0 HA VAL A 92 -23.655 -17.890 -1.487 1.00 45.22 H new ATOM 0 HB VAL A 92 -21.760 -18.085 -3.865 1.00 25.15 H new ATOM 0 HG11 VAL A 92 -22.877 -16.025 -4.612 1.00 50.25 H new ATOM 0 HG12 VAL A 92 -24.019 -17.382 -4.471 1.00 50.25 H new ATOM 0 HG13 VAL A 92 -23.978 -16.121 -3.217 1.00 50.25 H new ATOM 0 HG21 VAL A 92 -20.902 -15.896 -3.131 1.00 71.25 H new ATOM 0 HG22 VAL A 92 -21.922 -15.988 -1.676 1.00 71.25 H new ATOM 0 HG23 VAL A 92 -20.606 -17.162 -1.916 1.00 71.25 H new ATOM 1501 N ARG A 93 -25.149 -19.506 -2.623 1.00 24.32 N ATOM 1502 CA ARG A 93 -26.066 -20.420 -3.293 1.00 43.14 C ATOM 1503 C ARG A 93 -25.963 -20.278 -4.809 1.00 52.32 C ATOM 1504 O ARG A 93 -26.485 -19.327 -5.390 1.00 64.04 O ATOM 1505 CB ARG A 93 -27.503 -20.156 -2.842 1.00 33.02 C ATOM 1506 CG ARG A 93 -28.543 -20.926 -3.639 1.00 52.12 C ATOM 1507 CD ARG A 93 -28.329 -22.428 -3.531 1.00 1.52 C ATOM 1508 NE ARG A 93 -29.553 -23.176 -3.803 1.00 30.24 N ATOM 1509 CZ ARG A 93 -29.636 -24.500 -3.733 1.00 25.11 C ATOM 1510 NH1 ARG A 93 -28.571 -25.218 -3.402 1.00 1.54 N ATOM 1511 NH2 ARG A 93 -30.785 -25.109 -3.995 1.00 30.25 N ATOM 0 H ARG A 93 -25.583 -18.920 -1.910 1.00 24.32 H new ATOM 0 HA ARG A 93 -25.789 -21.438 -3.021 1.00 43.14 H new ATOM 0 HB2 ARG A 93 -27.598 -20.418 -1.788 1.00 33.02 H new ATOM 0 HB3 ARG A 93 -27.711 -19.089 -2.925 1.00 33.02 H new ATOM 0 HG2 ARG A 93 -29.540 -20.673 -3.278 1.00 52.12 H new ATOM 0 HG3 ARG A 93 -28.497 -20.625 -4.686 1.00 52.12 H new ATOM 0 HD2 ARG A 93 -27.553 -22.735 -4.232 1.00 1.52 H new ATOM 0 HD3 ARG A 93 -27.970 -22.672 -2.531 1.00 1.52 H new ATOM 0 HE ARG A 93 -30.390 -22.653 -4.061 1.00 30.24 H new ATOM 0 HH11 ARG A 93 -27.685 -24.754 -3.200 1.00 1.54 H new ATOM 0 HH12 ARG A 93 -28.638 -26.234 -3.349 1.00 1.54 H new ATOM 0 HH21 ARG A 93 -31.606 -24.561 -4.251 1.00 30.25 H new ATOM 0 HH22 ARG A 93 -30.847 -26.126 -3.941 1.00 30.25 H new ATOM 1525 N GLY A 94 -25.286 -21.230 -5.444 1.00 33.34 N ATOM 1526 CA GLY A 94 -25.127 -21.192 -6.886 1.00 20.35 C ATOM 1527 C GLY A 94 -23.727 -20.790 -7.304 1.00 2.43 C ATOM 1528 O GLY A 94 -23.537 -20.178 -8.355 1.00 34.41 O ATOM 0 H GLY A 94 -24.845 -22.027 -4.985 1.00 33.34 H new ATOM 0 HA2 GLY A 94 -25.359 -22.173 -7.300 1.00 20.35 H new ATOM 0 HA3 GLY A 94 -25.845 -20.490 -7.309 1.00 20.35 H new ATOM 1532 N ALA A 95 -22.743 -21.131 -6.478 1.00 70.41 N ATOM 1533 CA ALA A 95 -21.353 -20.802 -6.768 1.00 51.11 C ATOM 1534 C ALA A 95 -20.416 -21.908 -6.296 1.00 34.54 C ATOM 1535 O ALA A 95 -19.914 -22.695 -7.098 1.00 10.44 O ATOM 1536 CB ALA A 95 -20.978 -19.478 -6.119 1.00 52.44 C ATOM 0 H ALA A 95 -22.883 -21.635 -5.602 1.00 70.41 H new ATOM 0 HA ALA A 95 -21.246 -20.708 -7.849 1.00 51.11 H new ATOM 0 HB1 ALA A 95 -19.937 -19.245 -6.344 1.00 52.44 H new ATOM 0 HB2 ALA A 95 -21.619 -18.687 -6.508 1.00 52.44 H new ATOM 0 HB3 ALA A 95 -21.108 -19.552 -5.039 1.00 52.44 H new ATOM 1542 N GLY A 96 -20.185 -21.963 -4.987 1.00 61.34 N ATOM 1543 CA GLY A 96 -19.308 -22.977 -4.431 1.00 61.01 C ATOM 1544 C GLY A 96 -19.013 -22.746 -2.962 1.00 72.03 C ATOM 1545 O GLY A 96 -19.781 -23.163 -2.095 1.00 30.12 O ATOM 0 H GLY A 96 -20.589 -21.324 -4.303 1.00 61.34 H new ATOM 0 HA2 GLY A 96 -19.766 -23.958 -4.557 1.00 61.01 H new ATOM 0 HA3 GLY A 96 -18.372 -22.989 -4.989 1.00 61.01 H new ATOM 1549 N TYR A 97 -17.898 -22.081 -2.682 1.00 22.52 N ATOM 1550 CA TYR A 97 -17.501 -21.799 -1.307 1.00 72.44 C ATOM 1551 C TYR A 97 -16.585 -20.581 -1.244 1.00 14.13 C ATOM 1552 O TYR A 97 -15.850 -20.292 -2.188 1.00 31.11 O ATOM 1553 CB TYR A 97 -16.797 -23.013 -0.698 1.00 61.04 C ATOM 1554 CG TYR A 97 -15.324 -23.090 -1.033 1.00 54.42 C ATOM 1555 CD1 TYR A 97 -14.882 -22.960 -2.344 1.00 21.32 C ATOM 1556 CD2 TYR A 97 -14.375 -23.290 -0.038 1.00 74.43 C ATOM 1557 CE1 TYR A 97 -13.538 -23.030 -2.654 1.00 63.41 C ATOM 1558 CE2 TYR A 97 -13.029 -23.360 -0.339 1.00 62.42 C ATOM 1559 CZ TYR A 97 -12.615 -23.230 -1.648 1.00 71.45 C ATOM 1560 OH TYR A 97 -11.275 -23.299 -1.953 1.00 60.43 O ATOM 0 H TYR A 97 -17.253 -21.727 -3.388 1.00 22.52 H new ATOM 0 HA TYR A 97 -18.402 -21.584 -0.732 1.00 72.44 H new ATOM 0 HB2 TYR A 97 -16.914 -22.984 0.385 1.00 61.04 H new ATOM 0 HB3 TYR A 97 -17.289 -23.921 -1.048 1.00 61.04 H new ATOM 0 HD1 TYR A 97 -15.602 -22.802 -3.134 1.00 21.32 H new ATOM 0 HD2 TYR A 97 -14.695 -23.392 0.988 1.00 74.43 H new ATOM 0 HE1 TYR A 97 -13.211 -22.929 -3.678 1.00 63.41 H new ATOM 0 HE2 TYR A 97 -12.304 -23.516 0.447 1.00 62.42 H new ATOM 0 HH TYR A 97 -10.760 -23.442 -1.132 1.00 60.43 H new ATOM 1570 N VAL A 98 -16.635 -19.869 -0.122 1.00 74.12 N ATOM 1571 CA VAL A 98 -15.810 -18.682 0.068 1.00 60.44 C ATOM 1572 C VAL A 98 -15.675 -18.337 1.546 1.00 32.45 C ATOM 1573 O VAL A 98 -16.482 -18.769 2.372 1.00 45.51 O ATOM 1574 CB VAL A 98 -16.392 -17.468 -0.680 1.00 60.35 C ATOM 1575 CG1 VAL A 98 -17.628 -16.943 0.034 1.00 72.45 C ATOM 1576 CG2 VAL A 98 -15.343 -16.376 -0.820 1.00 44.11 C ATOM 0 H VAL A 98 -17.238 -20.094 0.669 1.00 74.12 H new ATOM 0 HA VAL A 98 -14.826 -18.913 -0.339 1.00 60.44 H new ATOM 0 HB VAL A 98 -16.687 -17.787 -1.680 1.00 60.35 H new ATOM 0 HG11 VAL A 98 -18.025 -16.085 -0.509 1.00 72.45 H new ATOM 0 HG12 VAL A 98 -18.384 -17.727 0.077 1.00 72.45 H new ATOM 0 HG13 VAL A 98 -17.362 -16.640 1.047 1.00 72.45 H new ATOM 0 HG21 VAL A 98 -15.771 -15.526 -1.351 1.00 44.11 H new ATOM 0 HG22 VAL A 98 -15.015 -16.058 0.169 1.00 44.11 H new ATOM 0 HG23 VAL A 98 -14.490 -16.760 -1.379 1.00 44.11 H new ATOM 1586 N LEU A 99 -14.652 -17.557 1.875 1.00 24.23 N ATOM 1587 CA LEU A 99 -14.411 -17.153 3.256 1.00 4.30 C ATOM 1588 C LEU A 99 -14.498 -15.637 3.403 1.00 54.14 C ATOM 1589 O LEU A 99 -14.026 -14.893 2.544 1.00 55.13 O ATOM 1590 CB LEU A 99 -13.038 -17.643 3.719 1.00 4.45 C ATOM 1591 CG LEU A 99 -11.849 -16.753 3.353 1.00 22.41 C ATOM 1592 CD1 LEU A 99 -10.571 -17.284 3.985 1.00 50.42 C ATOM 1593 CD2 LEU A 99 -11.699 -16.659 1.842 1.00 54.23 C ATOM 0 H LEU A 99 -13.976 -17.191 1.205 1.00 24.23 H new ATOM 0 HA LEU A 99 -15.181 -17.605 3.881 1.00 4.30 H new ATOM 0 HB2 LEU A 99 -13.061 -17.756 4.803 1.00 4.45 H new ATOM 0 HB3 LEU A 99 -12.867 -18.634 3.299 1.00 4.45 H new ATOM 0 HG LEU A 99 -12.035 -15.752 3.743 1.00 22.41 H new ATOM 0 HD11 LEU A 99 -9.736 -16.638 3.714 1.00 50.42 H new ATOM 0 HD12 LEU A 99 -10.681 -17.300 5.069 1.00 50.42 H new ATOM 0 HD13 LEU A 99 -10.380 -18.295 3.625 1.00 50.42 H new ATOM 0 HD21 LEU A 99 -10.848 -16.022 1.600 1.00 54.23 H new ATOM 0 HD22 LEU A 99 -11.536 -17.655 1.430 1.00 54.23 H new ATOM 0 HD23 LEU A 99 -12.605 -16.233 1.412 1.00 54.23 H new ATOM 1605 N GLU A 100 -15.104 -15.187 4.498 1.00 64.44 N ATOM 1606 CA GLU A 100 -15.251 -13.760 4.757 1.00 73.04 C ATOM 1607 C GLU A 100 -15.875 -13.518 6.128 1.00 10.40 C ATOM 1608 O GLU A 100 -16.855 -14.165 6.499 1.00 42.31 O ATOM 1609 CB GLU A 100 -16.110 -13.108 3.671 1.00 34.30 C ATOM 1610 CG GLU A 100 -17.485 -13.738 3.523 1.00 14.13 C ATOM 1611 CD GLU A 100 -18.348 -13.022 2.503 1.00 54.43 C ATOM 1612 OE1 GLU A 100 -19.017 -12.036 2.878 1.00 74.35 O ATOM 1613 OE2 GLU A 100 -18.354 -13.447 1.328 1.00 30.15 O ATOM 0 H GLU A 100 -15.500 -15.790 5.219 1.00 64.44 H new ATOM 0 HA GLU A 100 -14.258 -13.310 4.744 1.00 73.04 H new ATOM 0 HB2 GLU A 100 -16.228 -12.049 3.900 1.00 34.30 H new ATOM 0 HB3 GLU A 100 -15.586 -13.172 2.718 1.00 34.30 H new ATOM 0 HG2 GLU A 100 -17.373 -14.782 3.230 1.00 14.13 H new ATOM 0 HG3 GLU A 100 -17.990 -13.731 4.489 1.00 14.13 H new ATOM 1620 N ILE A 101 -15.300 -12.582 6.876 1.00 61.01 N ATOM 1621 CA ILE A 101 -15.799 -12.254 8.205 1.00 11.34 C ATOM 1622 C ILE A 101 -17.104 -11.469 8.124 1.00 34.43 C ATOM 1623 O ILE A 101 -17.490 -10.995 7.056 1.00 43.52 O ATOM 1624 CB ILE A 101 -14.770 -11.435 9.007 1.00 51.43 C ATOM 1625 CG1 ILE A 101 -14.843 -9.958 8.613 1.00 12.11 C ATOM 1626 CG2 ILE A 101 -13.368 -11.980 8.781 1.00 2.21 C ATOM 1627 CD1 ILE A 101 -14.610 -9.713 7.139 1.00 60.33 C ATOM 0 H ILE A 101 -14.488 -12.038 6.584 1.00 61.01 H new ATOM 0 HA ILE A 101 -15.977 -13.200 8.717 1.00 11.34 H new ATOM 0 HB ILE A 101 -15.006 -11.521 10.068 1.00 51.43 H new ATOM 0 HG12 ILE A 101 -15.822 -9.565 8.888 1.00 12.11 H new ATOM 0 HG13 ILE A 101 -14.103 -9.400 9.187 1.00 12.11 H new ATOM 0 HG21 ILE A 101 -12.652 -11.391 9.354 1.00 2.21 H new ATOM 0 HG22 ILE A 101 -13.325 -13.020 9.106 1.00 2.21 H new ATOM 0 HG23 ILE A 101 -13.121 -11.920 7.721 1.00 2.21 H new ATOM 0 HD11 ILE A 101 -14.677 -8.645 6.933 1.00 60.33 H new ATOM 0 HD12 ILE A 101 -13.620 -10.075 6.862 1.00 60.33 H new ATOM 0 HD13 ILE A 101 -15.365 -10.242 6.558 1.00 60.33 H new ATOM 1639 N ARG A 102 -17.780 -11.336 9.261 1.00 22.11 N ATOM 1640 CA ARG A 102 -19.042 -10.609 9.319 1.00 1.40 C ATOM 1641 C ARG A 102 -18.800 -9.115 9.520 1.00 61.44 C ATOM 1642 O ARG A 102 -19.598 -8.285 9.088 1.00 52.43 O ATOM 1643 CB ARG A 102 -19.916 -11.151 10.451 1.00 12.12 C ATOM 1644 CG ARG A 102 -19.440 -10.745 11.836 1.00 13.43 C ATOM 1645 CD ARG A 102 -19.890 -11.740 12.894 1.00 33.02 C ATOM 1646 NE ARG A 102 -19.078 -11.657 14.105 1.00 41.30 N ATOM 1647 CZ ARG A 102 -19.389 -12.268 15.242 1.00 32.14 C ATOM 1648 NH1 ARG A 102 -20.489 -13.004 15.324 1.00 61.23 N ATOM 1649 NH2 ARG A 102 -18.599 -12.144 16.301 1.00 33.44 N ATOM 0 H ARG A 102 -17.474 -11.722 10.154 1.00 22.11 H new ATOM 0 HA ARG A 102 -19.559 -10.752 8.370 1.00 1.40 H new ATOM 0 HB2 ARG A 102 -20.938 -10.799 10.310 1.00 12.12 H new ATOM 0 HB3 ARG A 102 -19.942 -12.239 10.389 1.00 12.12 H new ATOM 0 HG2 ARG A 102 -18.352 -10.673 11.842 1.00 13.43 H new ATOM 0 HG3 ARG A 102 -19.826 -9.755 12.079 1.00 13.43 H new ATOM 0 HD2 ARG A 102 -20.934 -11.555 13.145 1.00 33.02 H new ATOM 0 HD3 ARG A 102 -19.834 -12.750 12.489 1.00 33.02 H new ATOM 0 HE ARG A 102 -18.225 -11.099 14.076 1.00 41.30 H new ATOM 0 HH11 ARG A 102 -21.099 -13.102 14.512 1.00 61.23 H new ATOM 0 HH12 ARG A 102 -20.725 -13.472 16.199 1.00 61.23 H new ATOM 0 HH21 ARG A 102 -17.752 -11.579 16.242 1.00 33.44 H new ATOM 0 HH22 ARG A 102 -18.839 -12.614 17.174 1.00 33.44 H new ATOM 1663 N GLU A 103 -17.694 -8.783 10.178 1.00 64.52 N ATOM 1664 CA GLU A 103 -17.348 -7.391 10.436 1.00 12.43 C ATOM 1665 C GLU A 103 -17.394 -6.571 9.150 1.00 52.10 C ATOM 1666 O GLU A 103 -17.667 -5.371 9.176 1.00 24.24 O ATOM 1667 CB GLU A 103 -15.957 -7.295 11.065 1.00 25.32 C ATOM 1668 CG GLU A 103 -15.470 -5.868 11.254 1.00 34.21 C ATOM 1669 CD GLU A 103 -16.425 -5.032 12.084 1.00 51.32 C ATOM 1670 OE1 GLU A 103 -16.751 -5.451 13.214 1.00 12.22 O ATOM 1671 OE2 GLU A 103 -16.846 -3.959 11.603 1.00 11.01 O ATOM 0 H GLU A 103 -17.023 -9.459 10.542 1.00 64.52 H new ATOM 0 HA GLU A 103 -18.082 -6.985 11.132 1.00 12.43 H new ATOM 0 HB2 GLU A 103 -15.970 -7.796 12.033 1.00 25.32 H new ATOM 0 HB3 GLU A 103 -15.246 -7.832 10.437 1.00 25.32 H new ATOM 0 HG2 GLU A 103 -14.492 -5.882 11.736 1.00 34.21 H new ATOM 0 HG3 GLU A 103 -15.338 -5.401 10.278 1.00 34.21 H new ATOM 1678 N GLU A 104 -17.125 -7.228 8.026 1.00 32.32 N ATOM 1679 CA GLU A 104 -17.135 -6.560 6.730 1.00 25.12 C ATOM 1680 C GLU A 104 -18.444 -5.806 6.516 1.00 4.45 C ATOM 1681 O GLU A 104 -19.510 -6.265 6.924 1.00 63.53 O ATOM 1682 CB GLU A 104 -16.930 -7.577 5.606 1.00 60.34 C ATOM 1683 CG GLU A 104 -17.174 -7.008 4.218 1.00 5.11 C ATOM 1684 CD GLU A 104 -18.623 -7.119 3.788 1.00 34.11 C ATOM 1685 OE1 GLU A 104 -19.143 -8.253 3.740 1.00 33.33 O ATOM 1686 OE2 GLU A 104 -19.238 -6.071 3.500 1.00 40.25 O ATOM 0 H GLU A 104 -16.898 -8.222 7.987 1.00 32.32 H new ATOM 0 HA GLU A 104 -16.316 -5.841 6.714 1.00 25.12 H new ATOM 0 HB2 GLU A 104 -15.912 -7.963 5.658 1.00 60.34 H new ATOM 0 HB3 GLU A 104 -17.599 -8.422 5.766 1.00 60.34 H new ATOM 0 HG2 GLU A 104 -16.873 -5.960 4.201 1.00 5.11 H new ATOM 0 HG3 GLU A 104 -16.544 -7.532 3.499 1.00 5.11 H new